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 50681
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'chemical shift for the reduced form'
_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
3 '3D HN(CA)CO' . . . 50681 1
7 '3D CBCANH' . . . 50681 1
8 '3D (H)CCH-TOCSY' . . . 50681 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
3 $software_3 . . 50681 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 3 3 ASP H H 1 8.009 0.020 . 1 . . . . . 3 ASP H . 50681 1
2 . 1 . 1 3 3 ASP HA H 1 4.525 0.020 . 1 . . . . . 3 ASP HA . 50681 1
3 . 1 . 1 3 3 ASP HB2 H 1 2.488 0.020 . 2 . . . . . 3 ASP HB2 . 50681 1
4 . 1 . 1 3 3 ASP HB3 H 1 2.716 0.020 . 2 . . . . . 3 ASP HB3 . 50681 1
5 . 1 . 1 3 3 ASP C C 13 173.024 0.3 . 1 . . . . . 3 ASP C . 50681 1
6 . 1 . 1 3 3 ASP CA C 13 49.413 0.3 . 1 . . . . . 3 ASP CA . 50681 1
7 . 1 . 1 3 3 ASP CB C 13 39.308 0.3 . 1 . . . . . 3 ASP CB . 50681 1
8 . 1 . 1 3 3 ASP N N 15 123.410 0.3 . 1 . . . . . 3 ASP N . 50681 1
9 . 1 . 1 7 7 LYS H H 1 7.980 0.020 . 1 . . . . . 7 LYS H . 50681 1
10 . 1 . 1 7 7 LYS HA H 1 4.083 0.020 . 1 . . . . . 7 LYS HA . 50681 1
11 . 1 . 1 7 7 LYS HB2 H 1 1.602 0.020 . 1 . . . . . 7 LYS HB2 . 50681 1
12 . 1 . 1 7 7 LYS HB3 H 1 1.602 0.020 . 1 . . . . . 7 LYS HB3 . 50681 1
13 . 1 . 1 7 7 LYS HG2 H 1 1.253 0.020 . 1 . . . . . 7 LYS HG2 . 50681 1
14 . 1 . 1 7 7 LYS HG3 H 1 1.253 0.020 . 1 . . . . . 7 LYS HG3 . 50681 1
15 . 1 . 1 7 7 LYS HD2 H 1 1.549 0.020 . 1 . . . . . 7 LYS HD2 . 50681 1
16 . 1 . 1 7 7 LYS HD3 H 1 1.549 0.020 . 1 . . . . . 7 LYS HD3 . 50681 1
17 . 1 . 1 7 7 LYS HE2 H 1 2.850 0.020 . 1 . . . . . 7 LYS HE2 . 50681 1
18 . 1 . 1 7 7 LYS HE3 H 1 2.850 0.020 . 1 . . . . . 7 LYS HE3 . 50681 1
19 . 1 . 1 7 7 LYS C C 13 173.516 0.3 . 1 . . . . . 7 LYS C . 50681 1
20 . 1 . 1 7 7 LYS CA C 13 53.574 0.3 . 1 . . . . . 7 LYS CA . 50681 1
21 . 1 . 1 7 7 LYS CB C 13 29.735 0.3 . 1 . . . . . 7 LYS CB . 50681 1
22 . 1 . 1 7 7 LYS CG C 13 21.845 0.3 . 1 . . . . . 7 LYS CG . 50681 1
23 . 1 . 1 7 7 LYS CD C 13 26.186 0.3 . 1 . . . . . 7 LYS CD . 50681 1
24 . 1 . 1 7 7 LYS CE C 13 39.167 0.3 . 1 . . . . . 7 LYS CE . 50681 1
25 . 1 . 1 7 7 LYS N N 15 121.363 0.3 . 1 . . . . . 7 LYS N . 50681 1
26 . 1 . 1 8 8 ARG H H 1 8.033 0.020 . 1 . . . . . 8 ARG H . 50681 1
27 . 1 . 1 8 8 ARG HA H 1 4.096 0.020 . 1 . . . . . 8 ARG HA . 50681 1
28 . 1 . 1 8 8 ARG HB2 H 1 1.497 0.020 . 2 . . . . . 8 ARG HB2 . 50681 1
29 . 1 . 1 8 8 ARG HB3 H 1 1.659 0.020 . 2 . . . . . 8 ARG HB3 . 50681 1
30 . 1 . 1 8 8 ARG HG2 H 1 1.400 0.020 . 1 . . . . . 8 ARG HG2 . 50681 1
31 . 1 . 1 8 8 ARG HG3 H 1 1.400 0.020 . 1 . . . . . 8 ARG HG3 . 50681 1
32 . 1 . 1 8 8 ARG HD2 H 1 3.027 0.020 . 1 . . . . . 8 ARG HD2 . 50681 1
33 . 1 . 1 8 8 ARG HD3 H 1 3.027 0.020 . 1 . . . . . 8 ARG HD3 . 50681 1
34 . 1 . 1 8 8 ARG C C 13 172.918 0.3 . 1 . . . . . 8 ARG C . 50681 1
35 . 1 . 1 8 8 ARG CA C 13 53.310 0.3 . 1 . . . . . 8 ARG CA . 50681 1
36 . 1 . 1 8 8 ARG CB C 13 27.670 0.3 . 1 . . . . . 8 ARG CB . 50681 1
37 . 1 . 1 8 8 ARG CG C 13 24.091 0.3 . 1 . . . . . 8 ARG CG . 50681 1
38 . 1 . 1 8 8 ARG CD C 13 40.301 0.3 . 1 . . . . . 8 ARG CD . 50681 1
39 . 1 . 1 8 8 ARG N N 15 120.961 0.3 . 1 . . . . . 8 ARG N . 50681 1
40 . 1 . 1 9 9 PHE H H 1 8.000 0.020 . 1 . . . . . 9 PHE H . 50681 1
41 . 1 . 1 9 9 PHE HA H 1 4.458 0.020 . 1 . . . . . 9 PHE HA . 50681 1
42 . 1 . 1 9 9 PHE HB2 H 1 2.400 0.020 . 2 . . . . . 9 PHE HB2 . 50681 1
43 . 1 . 1 9 9 PHE HB3 H 1 2.538 0.020 . 2 . . . . . 9 PHE HB3 . 50681 1
44 . 1 . 1 9 9 PHE C C 13 173.015 0.3 . 1 . . . . . 9 PHE C . 50681 1
45 . 1 . 1 9 9 PHE CA C 13 53.134 0.3 . 1 . . . . . 9 PHE CA . 50681 1
46 . 1 . 1 9 9 PHE CB C 13 36.876 0.3 . 1 . . . . . 9 PHE CB . 50681 1
47 . 1 . 1 9 9 PHE N N 15 120.477 0.3 . 1 . . . . . 9 PHE N . 50681 1
48 . 1 . 1 11 11 VAL H H 1 7.981 0.020 . 1 . . . . . 11 VAL H . 50681 1
49 . 1 . 1 11 11 VAL HA H 1 4.164 0.020 . 1 . . . . . 11 VAL HA . 50681 1
50 . 1 . 1 11 11 VAL HB H 1 1.611 0.020 . 1 . . . . . 11 VAL HB . 50681 1
51 . 1 . 1 11 11 VAL HG11 H 1 1.551 0.020 . 1 . . . . . 11 VAL HG1 . 50681 1
52 . 1 . 1 11 11 VAL HG12 H 1 1.551 0.020 . 1 . . . . . 11 VAL HG1 . 50681 1
53 . 1 . 1 11 11 VAL HG13 H 1 1.551 0.020 . 1 . . . . . 11 VAL HG1 . 50681 1
54 . 1 . 1 11 11 VAL HG21 H 1 1.263 0.020 . 1 . . . . . 11 VAL HG2 . 50681 1
55 . 1 . 1 11 11 VAL HG22 H 1 1.263 0.020 . 1 . . . . . 11 VAL HG2 . 50681 1
56 . 1 . 1 11 11 VAL HG23 H 1 1.263 0.020 . 1 . . . . . 11 VAL HG2 . 50681 1
57 . 1 . 1 11 11 VAL C C 13 173.488 0.3 . 1 . . . . . 11 VAL C . 50681 1
58 . 1 . 1 11 11 VAL CA C 13 53.600 0.3 . 1 . . . . . 11 VAL CA . 50681 1
59 . 1 . 1 11 11 VAL CB C 13 29.754 0.3 . 1 . . . . . 11 VAL CB . 50681 1
60 . 1 . 1 11 11 VAL CG1 C 13 26.188 0.3 . 1 . . . . . 11 VAL CG1 . 50681 1
61 . 1 . 1 11 11 VAL CG2 C 13 21.870 0.3 . 1 . . . . . 11 VAL CG2 . 50681 1
62 . 1 . 1 11 11 VAL N N 15 121.408 0.3 . 1 . . . . . 11 VAL N . 50681 1
63 . 1 . 1 12 12 LYS H H 1 8.487 0.020 . 1 . . . . . 12 LYS H . 50681 1
64 . 1 . 1 12 12 LYS HA H 1 4.409 0.020 . 1 . . . . . 12 LYS HA . 50681 1
65 . 1 . 1 12 12 LYS HB2 H 1 2.985 0.020 . 1 . . . . . 12 LYS HB2 . 50681 1
66 . 1 . 1 12 12 LYS HB3 H 1 2.985 0.020 . 1 . . . . . 12 LYS HB3 . 50681 1
67 . 1 . 1 12 12 LYS C C 13 173.035 0.3 . 1 . . . . . 12 LYS C . 50681 1
68 . 1 . 1 12 12 LYS CA C 13 53.864 0.3 . 1 . . . . . 12 LYS CA . 50681 1
69 . 1 . 1 12 12 LYS CB C 13 27.356 0.3 . 1 . . . . . 12 LYS CB . 50681 1
70 . 1 . 1 12 12 LYS N N 15 123.340 0.3 . 1 . . . . . 12 LYS N . 50681 1
71 . 1 . 1 13 13 ASP H H 1 8.172 0.020 . 1 . . . . . 13 ASP H . 50681 1
72 . 1 . 1 13 13 ASP HA H 1 4.185 0.020 . 1 . . . . . 13 ASP HA . 50681 1
73 . 1 . 1 13 13 ASP HB2 H 1 2.558 0.020 . 1 . . . . . 13 ASP HB2 . 50681 1
74 . 1 . 1 13 13 ASP HB3 H 1 2.558 0.020 . 1 . . . . . 13 ASP HB3 . 50681 1
75 . 1 . 1 13 13 ASP C C 13 173.455 0.3 . 1 . . . . . 13 ASP C . 50681 1
76 . 1 . 1 13 13 ASP CA C 13 53.653 0.3 . 1 . . . . . 13 ASP CA . 50681 1
77 . 1 . 1 13 13 ASP CB C 13 38.103 0.3 . 1 . . . . . 13 ASP CB . 50681 1
78 . 1 . 1 13 13 ASP N N 15 121.290 0.3 . 1 . . . . . 13 ASP N . 50681 1
79 . 1 . 1 16 16 ASN H H 1 8.314 0.020 . 1 . . . . . 16 ASN H . 50681 1
80 . 1 . 1 16 16 ASN HA H 1 4.527 0.020 . 1 . . . . . 16 ASN HA . 50681 1
81 . 1 . 1 16 16 ASN HB2 H 1 2.708 0.020 . 2 . . . . . 16 ASN HB2 . 50681 1
82 . 1 . 1 16 16 ASN HB3 H 1 2.662 0.020 . 2 . . . . . 16 ASN HB3 . 50681 1
83 . 1 . 1 16 16 ASN C C 13 172.567 0.3 . 1 . . . . . 16 ASN C . 50681 1
84 . 1 . 1 16 16 ASN CA C 13 50.776 0.3 . 1 . . . . . 16 ASN CA . 50681 1
85 . 1 . 1 16 16 ASN CB C 13 35.692 0.3 . 1 . . . . . 16 ASN CB . 50681 1
86 . 1 . 1 16 16 ASN N N 15 118.679 0.3 . 1 . . . . . 16 ASN N . 50681 1
87 . 1 . 1 17 17 LYS H H 1 8.110 0.020 . 1 . . . . . 17 LYS H . 50681 1
88 . 1 . 1 17 17 LYS HA H 1 4.186 0.020 . 1 . . . . . 17 LYS HA . 50681 1
89 . 1 . 1 17 17 LYS HB2 H 1 1.601 0.020 . 2 . . . . . 17 LYS HB2 . 50681 1
90 . 1 . 1 17 17 LYS HB3 H 1 1.731 0.020 . 2 . . . . . 17 LYS HB3 . 50681 1
91 . 1 . 1 17 17 LYS HG2 H 1 1.261 0.020 . 1 . . . . . 17 LYS HG2 . 50681 1
92 . 1 . 1 17 17 LYS HG3 H 1 1.261 0.020 . 1 . . . . . 17 LYS HG3 . 50681 1
93 . 1 . 1 17 17 LYS HD2 H 1 1.554 0.020 . 1 . . . . . 17 LYS HD2 . 50681 1
94 . 1 . 1 17 17 LYS HD3 H 1 1.554 0.020 . 1 . . . . . 17 LYS HD3 . 50681 1
95 . 1 . 1 17 17 LYS HE2 H 1 2.846 0.020 . 1 . . . . . 17 LYS HE2 . 50681 1
96 . 1 . 1 17 17 LYS HE3 H 1 2.846 0.020 . 1 . . . . . 17 LYS HE3 . 50681 1
97 . 1 . 1 17 17 LYS C C 13 172.766 0.3 . 1 . . . . . 17 LYS C . 50681 1
98 . 1 . 1 17 17 LYS CA C 13 53.346 0.3 . 1 . . . . . 17 LYS CA . 50681 1
99 . 1 . 1 17 17 LYS CB C 13 29.729 0.3 . 1 . . . . . 17 LYS CB . 50681 1
100 . 1 . 1 17 17 LYS CG C 13 21.706 0.3 . 1 . . . . . 17 LYS CG . 50681 1
101 . 1 . 1 17 17 LYS CD C 13 26.036 0.3 . 1 . . . . . 17 LYS CD . 50681 1
102 . 1 . 1 17 17 LYS CE C 13 38.896 0.3 . 1 . . . . . 17 LYS CE . 50681 1
103 . 1 . 1 17 17 LYS N N 15 121.359 0.3 . 1 . . . . . 17 LYS N . 50681 1
104 . 1 . 1 18 18 ALA H H 1 7.951 0.020 . 1 . . . . . 18 ALA H . 50681 1
105 . 1 . 1 18 18 ALA HA H 1 4.332 0.020 . 1 . . . . . 18 ALA HA . 50681 1
106 . 1 . 1 18 18 ALA HB1 H 1 1.297 0.020 . 1 . . . . . 18 ALA HB . 50681 1
107 . 1 . 1 18 18 ALA HB2 H 1 1.297 0.020 . 1 . . . . . 18 ALA HB . 50681 1
108 . 1 . 1 18 18 ALA HB3 H 1 1.297 0.020 . 1 . . . . . 18 ALA HB . 50681 1
109 . 1 . 1 18 18 ALA C C 13 174.852 0.3 . 1 . . . . . 18 ALA C . 50681 1
110 . 1 . 1 18 18 ALA CA C 13 48.947 0.3 . 1 . . . . . 18 ALA CA . 50681 1
111 . 1 . 1 18 18 ALA CB C 13 16.603 0.3 . 1 . . . . . 18 ALA CB . 50681 1
112 . 1 . 1 18 18 ALA N N 15 123.792 0.3 . 1 . . . . . 18 ALA N . 50681 1
113 . 1 . 1 19 19 MET H H 1 7.864 0.020 . 1 . . . . . 19 MET H . 50681 1
114 . 1 . 1 19 19 MET C C 13 172.567 0.3 . 1 . . . . . 19 MET C . 50681 1
115 . 1 . 1 19 19 MET CA C 13 54.424 0.3 . 1 . . . . . 19 MET CA . 50681 1
116 . 1 . 1 19 19 MET CB C 13 30.352 0.3 . 1 . . . . . 19 MET CB . 50681 1
117 . 1 . 1 19 19 MET N N 15 118.336 0.3 . 1 . . . . . 19 MET N . 50681 1
118 . 1 . 1 20 20 ILE H H 1 9.386 0.020 . 1 . . . . . 20 ILE H . 50681 1
119 . 1 . 1 20 20 ILE HA H 1 3.881 0.020 . 1 . . . . . 20 ILE HA . 50681 1
120 . 1 . 1 20 20 ILE HB H 1 1.664 0.020 . 1 . . . . . 20 ILE HB . 50681 1
121 . 1 . 1 20 20 ILE HG12 H 1 1.024 0.020 . 2 . . . . . 20 ILE HG12 . 50681 1
122 . 1 . 1 20 20 ILE HG13 H 1 1.296 0.020 . 2 . . . . . 20 ILE HG13 . 50681 1
123 . 1 . 1 20 20 ILE HG21 H 1 0.727 0.020 . 1 . . . . . 20 ILE HG2 . 50681 1
124 . 1 . 1 20 20 ILE HG22 H 1 0.727 0.020 . 1 . . . . . 20 ILE HG2 . 50681 1
125 . 1 . 1 20 20 ILE HG23 H 1 0.727 0.020 . 1 . . . . . 20 ILE HG2 . 50681 1
126 . 1 . 1 20 20 ILE HD11 H 1 0.707 0.020 . 1 . . . . . 20 ILE HD1 . 50681 1
127 . 1 . 1 20 20 ILE HD12 H 1 0.707 0.020 . 1 . . . . . 20 ILE HD1 . 50681 1
128 . 1 . 1 20 20 ILE HD13 H 1 0.707 0.020 . 1 . . . . . 20 ILE HD1 . 50681 1
129 . 1 . 1 20 20 ILE CA C 13 60.638 0.3 . 1 . . . . . 20 ILE CA . 50681 1
130 . 1 . 1 20 20 ILE CB C 13 36.346 0.3 . 1 . . . . . 20 ILE CB . 50681 1
131 . 1 . 1 20 20 ILE CG1 C 13 24.250 0.3 . 1 . . . . . 20 ILE CG1 . 50681 1
132 . 1 . 1 20 20 ILE CG2 C 13 14.559 0.3 . 1 . . . . . 20 ILE CG2 . 50681 1
133 . 1 . 1 20 20 ILE CD1 C 13 9.978 0.3 . 1 . . . . . 20 ILE CD1 . 50681 1
134 . 1 . 1 20 20 ILE N N 15 121.468 0.3 . 1 . . . . . 20 ILE N . 50681 1
135 . 1 . 1 24 24 ILE H H 1 9.229 0.020 . 1 . . . . . 24 ILE H . 50681 1
136 . 1 . 1 24 24 ILE HA H 1 4.073 0.020 . 1 . . . . . 24 ILE HA . 50681 1
137 . 1 . 1 24 24 ILE HB H 1 1.963 0.020 . 1 . . . . . 24 ILE HB . 50681 1
138 . 1 . 1 24 24 ILE HG12 H 1 1.307 0.020 . 2 . . . . . 24 ILE HG12 . 50681 1
139 . 1 . 1 24 24 ILE HG13 H 1 1.032 0.020 . 2 . . . . . 24 ILE HG13 . 50681 1
140 . 1 . 1 24 24 ILE HG21 H 1 0.732 0.020 . 1 . . . . . 24 ILE HG2 . 50681 1
141 . 1 . 1 24 24 ILE HG22 H 1 0.732 0.020 . 1 . . . . . 24 ILE HG2 . 50681 1
142 . 1 . 1 24 24 ILE HG23 H 1 0.732 0.020 . 1 . . . . . 24 ILE HG2 . 50681 1
143 . 1 . 1 24 24 ILE HD11 H 1 0.707 0.020 . 1 . . . . . 24 ILE HD1 . 50681 1
144 . 1 . 1 24 24 ILE HD12 H 1 0.707 0.020 . 1 . . . . . 24 ILE HD1 . 50681 1
145 . 1 . 1 24 24 ILE HD13 H 1 0.707 0.020 . 1 . . . . . 24 ILE HD1 . 50681 1
146 . 1 . 1 24 24 ILE C C 13 172.629 0.3 . 1 . . . . . 24 ILE C . 50681 1
147 . 1 . 1 24 24 ILE CA C 13 60.351 0.3 . 1 . . . . . 24 ILE CA . 50681 1
148 . 1 . 1 24 24 ILE CB C 13 35.818 0.3 . 1 . . . . . 24 ILE CB . 50681 1
149 . 1 . 1 24 24 ILE CG1 C 13 24.276 0.3 . 1 . . . . . 24 ILE CG1 . 50681 1
150 . 1 . 1 24 24 ILE CG2 C 13 14.417 0.3 . 1 . . . . . 24 ILE CG2 . 50681 1
151 . 1 . 1 24 24 ILE CD1 C 13 9.683 0.3 . 1 . . . . . 24 ILE CD1 . 50681 1
152 . 1 . 1 24 24 ILE N N 15 125.005 0.3 . 1 . . . . . 24 ILE N . 50681 1
153 . 1 . 1 25 25 GLN H H 1 9.086 0.020 . 1 . . . . . 25 GLN H . 50681 1
154 . 1 . 1 25 25 GLN HA H 1 3.856 0.020 . 1 . . . . . 25 GLN HA . 50681 1
155 . 1 . 1 25 25 GLN HB2 H 1 2.315 0.020 . 2 . . . . . 25 GLN HB2 . 50681 1
156 . 1 . 1 25 25 GLN HB3 H 1 1.873 0.020 . 2 . . . . . 25 GLN HB3 . 50681 1
157 . 1 . 1 25 25 GLN HG2 H 1 2.377 0.020 . 1 . . . . . 25 GLN HG2 . 50681 1
158 . 1 . 1 25 25 GLN HG3 H 1 2.377 0.020 . 1 . . . . . 25 GLN HG3 . 50681 1
159 . 1 . 1 25 25 GLN C C 13 173.595 0.3 . 1 . . . . . 25 GLN C . 50681 1
160 . 1 . 1 25 25 GLN CA C 13 53.388 0.3 . 1 . . . . . 25 GLN CA . 50681 1
161 . 1 . 1 25 25 GLN CB C 13 26.192 0.3 . 1 . . . . . 25 GLN CB . 50681 1
162 . 1 . 1 25 25 GLN CG C 13 31.843 0.3 . 1 . . . . . 25 GLN CG . 50681 1
163 . 1 . 1 25 25 GLN N N 15 125.723 0.3 . 1 . . . . . 25 GLN N . 50681 1
164 . 1 . 1 26 26 LYS H H 1 8.542 0.020 . 1 . . . . . 26 LYS H . 50681 1
165 . 1 . 1 26 26 LYS HA H 1 3.856 0.020 . 1 . . . . . 26 LYS HA . 50681 1
166 . 1 . 1 26 26 LYS HB2 H 1 1.556 0.020 . 1 . . . . . 26 LYS HB2 . 50681 1
167 . 1 . 1 26 26 LYS HB3 H 1 1.556 0.020 . 1 . . . . . 26 LYS HB3 . 50681 1
168 . 1 . 1 26 26 LYS HG2 H 1 1.551 0.020 . 2 . . . . . 26 LYS HG2 . 50681 1
169 . 1 . 1 26 26 LYS HG3 H 1 1.313 0.020 . 2 . . . . . 26 LYS HG3 . 50681 1
170 . 1 . 1 26 26 LYS HD2 H 1 1.556 0.020 . 2 . . . . . 26 LYS HD2 . 50681 1
171 . 1 . 1 26 26 LYS HD3 H 1 1.400 0.020 . 2 . . . . . 26 LYS HD3 . 50681 1
172 . 1 . 1 26 26 LYS HE2 H 1 2.850 0.020 . 1 . . . . . 26 LYS HE2 . 50681 1
173 . 1 . 1 26 26 LYS HE3 H 1 2.850 0.020 . 1 . . . . . 26 LYS HE3 . 50681 1
174 . 1 . 1 26 26 LYS C C 13 173.843 0.3 . 1 . . . . . 26 LYS C . 50681 1
175 . 1 . 1 26 26 LYS CA C 13 53.080 0.3 . 1 . . . . . 26 LYS CA . 50681 1
176 . 1 . 1 26 26 LYS CB C 13 26.618 0.3 . 1 . . . . . 26 LYS CB . 50681 1
177 . 1 . 1 26 26 LYS CG C 13 21.820 0.3 . 1 . . . . . 26 LYS CG . 50681 1
178 . 1 . 1 26 26 LYS CD C 13 22.980 0.3 . 1 . . . . . 26 LYS CD . 50681 1
179 . 1 . 1 26 26 LYS CE C 13 39.420 0.3 . 1 . . . . . 26 LYS CE . 50681 1
180 . 1 . 1 26 26 LYS N N 15 116.228 0.3 . 1 . . . . . 26 LYS N . 50681 1
181 . 1 . 1 27 27 ASP H H 1 8.676 0.020 . 1 . . . . . 27 ASP H . 50681 1
182 . 1 . 1 27 27 ASP HA H 1 4.355 0.020 . 1 . . . . . 27 ASP HA . 50681 1
183 . 1 . 1 27 27 ASP HB2 H 1 2.587 0.020 . 2 . . . . . 27 ASP HB2 . 50681 1
184 . 1 . 1 27 27 ASP HB3 H 1 2.493 0.020 . 2 . . . . . 27 ASP HB3 . 50681 1
185 . 1 . 1 27 27 ASP C C 13 172.415 0.3 . 1 . . . . . 27 ASP C . 50681 1
186 . 1 . 1 27 27 ASP CA C 13 50.734 0.3 . 1 . . . . . 27 ASP CA . 50681 1
187 . 1 . 1 27 27 ASP CB C 13 36.902 0.3 . 1 . . . . . 27 ASP CB . 50681 1
188 . 1 . 1 27 27 ASP N N 15 116.582 0.3 . 1 . . . . . 27 ASP N . 50681 1
189 . 1 . 1 28 28 ASN H H 1 7.858 0.020 . 1 . . . . . 28 ASN H . 50681 1
190 . 1 . 1 28 28 ASN HA H 1 4.865 0.020 . 1 . . . . . 28 ASN HA . 50681 1
191 . 1 . 1 28 28 ASN HB2 H 1 3.096 0.020 . 2 . . . . . 28 ASN HB2 . 50681 1
192 . 1 . 1 28 28 ASN HB3 H 1 2.557 0.020 . 2 . . . . . 28 ASN HB3 . 50681 1
193 . 1 . 1 28 28 ASN C C 13 171.539 0.3 . 1 . . . . . 28 ASN C . 50681 1
194 . 1 . 1 28 28 ASN CA C 13 46.836 0.3 . 1 . . . . . 28 ASN CA . 50681 1
195 . 1 . 1 28 28 ASN CB C 13 37.008 0.3 . 1 . . . . . 28 ASN CB . 50681 1
196 . 1 . 1 28 28 ASN N N 15 122.551 0.3 . 1 . . . . . 28 ASN N . 50681 1
197 . 1 . 1 32 32 VAL H H 1 7.529 0.020 . 1 . . . . . 32 VAL H . 50681 1
198 . 1 . 1 32 32 VAL HA H 1 4.629 0.020 . 1 . . . . . 32 VAL HA . 50681 1
199 . 1 . 1 32 32 VAL HB H 1 1.744 0.020 . 1 . . . . . 32 VAL HB . 50681 1
200 . 1 . 1 32 32 VAL HG11 H 1 0.942 0.020 . 1 . . . . . 32 VAL HG1 . 50681 1
201 . 1 . 1 32 32 VAL HG12 H 1 0.942 0.020 . 1 . . . . . 32 VAL HG1 . 50681 1
202 . 1 . 1 32 32 VAL HG13 H 1 0.942 0.020 . 1 . . . . . 32 VAL HG1 . 50681 1
203 . 1 . 1 32 32 VAL HG21 H 1 0.803 0.020 . 1 . . . . . 32 VAL HG2 . 50681 1
204 . 1 . 1 32 32 VAL HG22 H 1 0.803 0.020 . 1 . . . . . 32 VAL HG2 . 50681 1
205 . 1 . 1 32 32 VAL HG23 H 1 0.803 0.020 . 1 . . . . . 32 VAL HG2 . 50681 1
206 . 1 . 1 32 32 VAL C C 13 173.386 0.3 . 1 . . . . . 32 VAL C . 50681 1
207 . 1 . 1 32 32 VAL CA C 13 57.245 0.3 . 1 . . . . . 32 VAL CA . 50681 1
208 . 1 . 1 32 32 VAL CB C 13 32.150 0.3 . 1 . . . . . 32 VAL CB . 50681 1
209 . 1 . 1 32 32 VAL CG1 C 13 19.046 0.3 . 1 . . . . . 32 VAL CG1 . 50681 1
210 . 1 . 1 32 32 VAL CG2 C 13 17.871 0.3 . 1 . . . . . 32 VAL CG2 . 50681 1
211 . 1 . 1 32 32 VAL N N 15 127.043 0.3 . 1 . . . . . 32 VAL N . 50681 1
212 . 1 . 1 33 33 HIS H H 1 7.673 0.020 . 1 . . . . . 33 HIS H . 50681 1
213 . 1 . 1 33 33 HIS HA H 1 4.550 0.020 . 1 . . . . . 33 HIS HA . 50681 1
214 . 1 . 1 33 33 HIS HB2 H 1 2.705 0.020 . 2 . . . . . 33 HIS HB2 . 50681 1
215 . 1 . 1 33 33 HIS HB3 H 1 2.461 0.020 . 2 . . . . . 33 HIS HB3 . 50681 1
216 . 1 . 1 33 33 HIS C C 13 169.597 0.3 . 1 . . . . . 33 HIS C . 50681 1
217 . 1 . 1 33 33 HIS CA C 13 54.714 0.3 . 1 . . . . . 33 HIS CA . 50681 1
218 . 1 . 1 33 33 HIS CB C 13 32.075 0.3 . 1 . . . . . 33 HIS CB . 50681 1
219 . 1 . 1 33 33 HIS N N 15 124.760 0.3 . 1 . . . . . 33 HIS N . 50681 1
220 . 1 . 1 34 34 ALA H H 1 8.048 0.020 . 1 . . . . . 34 ALA H . 50681 1
221 . 1 . 1 34 34 ALA HA H 1 5.550 0.020 . 1 . . . . . 34 ALA HA . 50681 1
222 . 1 . 1 34 34 ALA HB1 H 1 0.943 0.020 . 1 . . . . . 34 ALA HB . 50681 1
223 . 1 . 1 34 34 ALA HB2 H 1 0.943 0.020 . 1 . . . . . 34 ALA HB . 50681 1
224 . 1 . 1 34 34 ALA HB3 H 1 0.943 0.020 . 1 . . . . . 34 ALA HB . 50681 1
225 . 1 . 1 34 34 ALA C C 13 172.900 0.3 . 1 . . . . . 34 ALA C . 50681 1
226 . 1 . 1 34 34 ALA CA C 13 47.188 0.3 . 1 . . . . . 34 ALA CA . 50681 1
227 . 1 . 1 34 34 ALA CB C 13 18.536 0.3 . 1 . . . . . 34 ALA CB . 50681 1
228 . 1 . 1 34 34 ALA N N 15 123.958 0.3 . 1 . . . . . 34 ALA N . 50681 1
229 . 1 . 1 35 35 PHE H H 1 8.813 0.020 . 1 . . . . . 35 PHE H . 50681 1
230 . 1 . 1 35 35 PHE HA H 1 4.594 0.020 . 1 . . . . . 35 PHE HA . 50681 1
231 . 1 . 1 35 35 PHE HB2 H 1 3.027 0.020 . 2 . . . . . 35 PHE HB2 . 50681 1
232 . 1 . 1 35 35 PHE HB3 H 1 2.490 0.020 . 2 . . . . . 35 PHE HB3 . 50681 1
233 . 1 . 1 35 35 PHE C C 13 171.045 0.3 . 1 . . . . . 35 PHE C . 50681 1
234 . 1 . 1 35 35 PHE CA C 13 53.873 0.3 . 1 . . . . . 35 PHE CA . 50681 1
235 . 1 . 1 35 35 PHE CB C 13 40.517 0.3 . 1 . . . . . 35 PHE CB . 50681 1
236 . 1 . 1 35 35 PHE N N 15 119.975 0.3 . 1 . . . . . 35 PHE N . 50681 1
237 . 1 . 1 36 36 ASP H H 1 8.743 0.020 . 1 . . . . . 36 ASP H . 50681 1
238 . 1 . 1 36 36 ASP HA H 1 5.471 0.020 . 1 . . . . . 36 ASP HA . 50681 1
239 . 1 . 1 36 36 ASP HB2 H 1 2.650 0.020 . 2 . . . . . 36 ASP HB2 . 50681 1
240 . 1 . 1 36 36 ASP HB3 H 1 2.484 0.020 . 2 . . . . . 36 ASP HB3 . 50681 1
241 . 1 . 1 36 36 ASP C C 13 175.556 0.3 . 1 . . . . . 36 ASP C . 50681 1
242 . 1 . 1 36 36 ASP CA C 13 49.669 0.3 . 1 . . . . . 36 ASP CA . 50681 1
243 . 1 . 1 36 36 ASP CB C 13 37.525 0.3 . 1 . . . . . 36 ASP CB . 50681 1
244 . 1 . 1 36 36 ASP N N 15 121.693 0.3 . 1 . . . . . 36 ASP N . 50681 1
245 . 1 . 1 37 37 MET H H 1 9.246 0.020 . 1 . . . . . 37 MET H . 50681 1
246 . 1 . 1 37 37 MET HA H 1 3.763 0.020 . 1 . . . . . 37 MET HA . 50681 1
247 . 1 . 1 37 37 MET HB2 H 1 1.916 0.020 . 2 . . . . . 37 MET HB2 . 50681 1
248 . 1 . 1 37 37 MET HB3 H 1 1.848 0.020 . 2 . . . . . 37 MET HB3 . 50681 1
249 . 1 . 1 37 37 MET HG2 H 1 2.359 0.020 . 2 . . . . . 37 MET HG2 . 50681 1
250 . 1 . 1 37 37 MET HG3 H 1 2.249 0.020 . 2 . . . . . 37 MET HG3 . 50681 1
251 . 1 . 1 37 37 MET C C 13 174.833 0.3 . 1 . . . . . 37 MET C . 50681 1
252 . 1 . 1 37 37 MET CA C 13 56.520 0.3 . 1 . . . . . 37 MET CA . 50681 1
253 . 1 . 1 37 37 MET CB C 13 30.288 0.3 . 1 . . . . . 37 MET CB . 50681 1
254 . 1 . 1 37 37 MET CG C 13 29.282 0.3 . 1 . . . . . 37 MET CG . 50681 1
255 . 1 . 1 37 37 MET N N 15 123.829 0.3 . 1 . . . . . 37 MET N . 50681 1
256 . 1 . 1 38 38 GLU H H 1 10.149 0.020 . 1 . . . . . 38 GLU H . 50681 1
257 . 1 . 1 38 38 GLU HA H 1 3.865 0.020 . 1 . . . . . 38 GLU HA . 50681 1
258 . 1 . 1 38 38 GLU HB2 H 1 1.952 0.020 . 2 . . . . . 38 GLU HB2 . 50681 1
259 . 1 . 1 38 38 GLU HB3 H 1 1.721 0.020 . 2 . . . . . 38 GLU HB3 . 50681 1
260 . 1 . 1 38 38 GLU HG2 H 1 2.474 0.020 . 2 . . . . . 38 GLU HG2 . 50681 1
261 . 1 . 1 38 38 GLU HG3 H 1 2.208 0.020 . 2 . . . . . 38 GLU HG3 . 50681 1
262 . 1 . 1 38 38 GLU C C 13 174.369 0.3 . 1 . . . . . 38 GLU C . 50681 1
263 . 1 . 1 38 38 GLU CA C 13 57.249 0.3 . 1 . . . . . 38 GLU CA . 50681 1
264 . 1 . 1 38 38 GLU CB C 13 25.765 0.3 . 1 . . . . . 38 GLU CB . 50681 1
265 . 1 . 1 38 38 GLU CG C 13 35.019 0.3 . 1 . . . . . 38 GLU CG . 50681 1
266 . 1 . 1 38 38 GLU N N 15 118.915 0.3 . 1 . . . . . 38 GLU N . 50681 1
267 . 1 . 1 39 39 ASP H H 1 7.798 0.020 . 1 . . . . . 39 ASP H . 50681 1
268 . 1 . 1 39 39 ASP HA H 1 4.683 0.020 . 1 . . . . . 39 ASP HA . 50681 1
269 . 1 . 1 39 39 ASP HB2 H 1 2.902 0.020 . 2 . . . . . 39 ASP HB2 . 50681 1
270 . 1 . 1 39 39 ASP HB3 H 1 2.803 0.020 . 2 . . . . . 39 ASP HB3 . 50681 1
271 . 1 . 1 39 39 ASP C C 13 174.321 0.3 . 1 . . . . . 39 ASP C . 50681 1
272 . 1 . 1 39 39 ASP CA C 13 51.571 0.3 . 1 . . . . . 39 ASP CA . 50681 1
273 . 1 . 1 39 39 ASP CB C 13 38.554 0.3 . 1 . . . . . 39 ASP CB . 50681 1
274 . 1 . 1 39 39 ASP N N 15 116.239 0.3 . 1 . . . . . 39 ASP N . 50681 1
275 . 1 . 1 40 40 LEU H H 1 7.316 0.020 . 1 . . . . . 40 LEU H . 50681 1
276 . 1 . 1 40 40 LEU HA H 1 3.950 0.020 . 1 . . . . . 40 LEU HA . 50681 1
277 . 1 . 1 40 40 LEU HB2 H 1 1.641 0.020 . 2 . . . . . 40 LEU HB2 . 50681 1
278 . 1 . 1 40 40 LEU HB3 H 1 1.363 0.020 . 2 . . . . . 40 LEU HB3 . 50681 1
279 . 1 . 1 40 40 LEU HG H 1 1.801 0.020 . 1 . . . . . 40 LEU HG . 50681 1
280 . 1 . 1 40 40 LEU HD11 H 1 0.719 0.020 . 2 . . . . . 40 LEU HD1 . 50681 1
281 . 1 . 1 40 40 LEU HD12 H 1 0.719 0.020 . 2 . . . . . 40 LEU HD1 . 50681 1
282 . 1 . 1 40 40 LEU HD13 H 1 0.719 0.020 . 2 . . . . . 40 LEU HD1 . 50681 1
283 . 1 . 1 40 40 LEU HD21 H 1 0.637 0.020 . 2 . . . . . 40 LEU HD2 . 50681 1
284 . 1 . 1 40 40 LEU HD22 H 1 0.637 0.020 . 2 . . . . . 40 LEU HD2 . 50681 1
285 . 1 . 1 40 40 LEU HD23 H 1 0.637 0.020 . 2 . . . . . 40 LEU HD2 . 50681 1
286 . 1 . 1 40 40 LEU C C 13 174.528 0.3 . 1 . . . . . 40 LEU C . 50681 1
287 . 1 . 1 40 40 LEU CA C 13 53.571 0.3 . 1 . . . . . 40 LEU CA . 50681 1
288 . 1 . 1 40 40 LEU CB C 13 39.282 0.3 . 1 . . . . . 40 LEU CB . 50681 1
289 . 1 . 1 40 40 LEU CG C 13 24.534 0.3 . 1 . . . . . 40 LEU CG . 50681 1
290 . 1 . 1 40 40 LEU CD1 C 13 21.906 0.3 . 1 . . . . . 40 LEU CD1 . 50681 1
291 . 1 . 1 40 40 LEU CD2 C 13 20.801 0.3 . 1 . . . . . 40 LEU CD2 . 50681 1
292 . 1 . 1 40 40 LEU N N 15 120.530 0.3 . 1 . . . . . 40 LEU N . 50681 1
293 . 1 . 1 41 41 GLY H H 1 7.815 0.020 . 1 . . . . . 41 GLY H . 50681 1
294 . 1 . 1 41 41 GLY HA2 H 1 3.961 0.020 . 1 . . . . . 41 GLY HA2 . 50681 1
295 . 1 . 1 41 41 GLY HA3 H 1 3.961 0.020 . 1 . . . . . 41 GLY HA3 . 50681 1
296 . 1 . 1 41 41 GLY C C 13 171.044 0.3 . 1 . . . . . 41 GLY C . 50681 1
297 . 1 . 1 41 41 GLY CA C 13 41.734 0.3 . 1 . . . . . 41 GLY CA . 50681 1
298 . 1 . 1 41 41 GLY N N 15 107.129 0.3 . 1 . . . . . 41 GLY N . 50681 1
299 . 1 . 1 42 42 ASP H H 1 8.262 0.020 . 1 . . . . . 42 ASP H . 50681 1
300 . 1 . 1 42 42 ASP HA H 1 4.189 0.020 . 1 . . . . . 42 ASP HA . 50681 1
301 . 1 . 1 42 42 ASP HB2 H 1 2.454 0.020 . 2 . . . . . 42 ASP HB2 . 50681 1
302 . 1 . 1 42 42 ASP HB3 H 1 2.411 0.020 . 2 . . . . . 42 ASP HB3 . 50681 1
303 . 1 . 1 42 42 ASP C C 13 173.492 0.3 . 1 . . . . . 42 ASP C . 50681 1
304 . 1 . 1 42 42 ASP CA C 13 53.355 0.3 . 1 . . . . . 42 ASP CA . 50681 1
305 . 1 . 1 42 42 ASP CB C 13 38.107 0.3 . 1 . . . . . 42 ASP CB . 50681 1
306 . 1 . 1 42 42 ASP N N 15 120.126 0.3 . 1 . . . . . 42 ASP N . 50681 1
307 . 1 . 1 43 43 LYS H H 1 7.290 0.020 . 1 . . . . . 43 LYS H . 50681 1
308 . 1 . 1 43 43 LYS HA H 1 4.629 0.020 . 1 . . . . . 43 LYS HA . 50681 1
309 . 1 . 1 43 43 LYS HB2 H 1 1.418 0.020 . 1 . . . . . 43 LYS HB2 . 50681 1
310 . 1 . 1 43 43 LYS HB3 H 1 1.418 0.020 . 1 . . . . . 43 LYS HB3 . 50681 1
311 . 1 . 1 43 43 LYS HG2 H 1 1.263 0.020 . 1 . . . . . 43 LYS HG2 . 50681 1
312 . 1 . 1 43 43 LYS HG3 H 1 1.263 0.020 . 1 . . . . . 43 LYS HG3 . 50681 1
313 . 1 . 1 43 43 LYS HD2 H 1 1.548 0.020 . 1 . . . . . 43 LYS HD2 . 50681 1
314 . 1 . 1 43 43 LYS HD3 H 1 1.548 0.020 . 1 . . . . . 43 LYS HD3 . 50681 1
315 . 1 . 1 43 43 LYS HE2 H 1 2.573 0.020 . 1 . . . . . 43 LYS HE2 . 50681 1
316 . 1 . 1 43 43 LYS HE3 H 1 2.573 0.020 . 1 . . . . . 43 LYS HE3 . 50681 1
317 . 1 . 1 43 43 LYS C C 13 170.701 0.3 . 1 . . . . . 43 LYS C . 50681 1
318 . 1 . 1 43 43 LYS CA C 13 53.603 0.3 . 1 . . . . . 43 LYS CA . 50681 1
319 . 1 . 1 43 43 LYS CB C 13 31.548 0.3 . 1 . . . . . 43 LYS CB . 50681 1
320 . 1 . 1 43 43 LYS CG C 13 21.806 0.3 . 1 . . . . . 43 LYS CG . 50681 1
321 . 1 . 1 43 43 LYS CD C 13 26.397 0.3 . 1 . . . . . 43 LYS CD . 50681 1
322 . 1 . 1 43 43 LYS CE C 13 38.868 0.3 . 1 . . . . . 43 LYS CE . 50681 1
323 . 1 . 1 43 43 LYS N N 15 116.373 0.3 . 1 . . . . . 43 LYS N . 50681 1
324 . 1 . 1 44 44 ALA H H 1 8.940 0.020 . 1 . . . . . 44 ALA H . 50681 1
325 . 1 . 1 44 44 ALA HA H 1 4.147 0.020 . 1 . . . . . 44 ALA HA . 50681 1
326 . 1 . 1 44 44 ALA HB1 H 1 0.826 0.020 . 1 . . . . . 44 ALA HB . 50681 1
327 . 1 . 1 44 44 ALA HB2 H 1 0.826 0.020 . 1 . . . . . 44 ALA HB . 50681 1
328 . 1 . 1 44 44 ALA HB3 H 1 0.826 0.020 . 1 . . . . . 44 ALA HB . 50681 1
329 . 1 . 1 44 44 ALA C C 13 171.035 0.3 . 1 . . . . . 44 ALA C . 50681 1
330 . 1 . 1 44 44 ALA CA C 13 48.402 0.3 . 1 . . . . . 44 ALA CA . 50681 1
331 . 1 . 1 44 44 ALA CB C 13 20.159 0.3 . 1 . . . . . 44 ALA CB . 50681 1
332 . 1 . 1 44 44 ALA N N 15 129.951 0.3 . 1 . . . . . 44 ALA N . 50681 1
333 . 1 . 1 45 45 VAL H H 1 7.786 0.020 . 1 . . . . . 45 VAL H . 50681 1
334 . 1 . 1 45 45 VAL HA H 1 4.000 0.020 . 1 . . . . . 45 VAL HA . 50681 1
335 . 1 . 1 45 45 VAL HB H 1 1.358 0.020 . 1 . . . . . 45 VAL HB . 50681 1
336 . 1 . 1 45 45 VAL HG11 H 1 0.915 0.020 . 1 . . . . . 45 VAL HG1 . 50681 1
337 . 1 . 1 45 45 VAL HG12 H 1 0.915 0.020 . 1 . . . . . 45 VAL HG1 . 50681 1
338 . 1 . 1 45 45 VAL HG13 H 1 0.915 0.020 . 1 . . . . . 45 VAL HG1 . 50681 1
339 . 1 . 1 45 45 VAL HG21 H 1 0.721 0.020 . 1 . . . . . 45 VAL HG2 . 50681 1
340 . 1 . 1 45 45 VAL HG22 H 1 0.721 0.020 . 1 . . . . . 45 VAL HG2 . 50681 1
341 . 1 . 1 45 45 VAL HG23 H 1 0.721 0.020 . 1 . . . . . 45 VAL HG2 . 50681 1
342 . 1 . 1 45 45 VAL C C 13 172.486 0.3 . 1 . . . . . 45 VAL C . 50681 1
343 . 1 . 1 45 45 VAL CA C 13 58.109 0.3 . 1 . . . . . 45 VAL CA . 50681 1
344 . 1 . 1 45 45 VAL CB C 13 26.841 0.3 . 1 . . . . . 45 VAL CB . 50681 1
345 . 1 . 1 45 45 VAL CG1 C 13 17.174 0.3 . 1 . . . . . 45 VAL CG1 . 50681 1
346 . 1 . 1 45 45 VAL N N 15 120.300 0.3 . 1 . . . . . 45 VAL N . 50681 1
347 . 1 . 1 67 67 GLU H H 1 7.771 0.020 . 1 . . . . . 67 GLU H . 50681 1
348 . 1 . 1 67 67 GLU HA H 1 3.828 0.020 . 1 . . . . . 67 GLU HA . 50681 1
349 . 1 . 1 67 67 GLU HB2 H 1 1.997 0.020 . 2 . . . . . 67 GLU HB2 . 50681 1
350 . 1 . 1 67 67 GLU HB3 H 1 1.934 0.020 . 2 . . . . . 67 GLU HB3 . 50681 1
351 . 1 . 1 67 67 GLU HG2 H 1 2.220 0.020 . 2 . . . . . 67 GLU HG2 . 50681 1
352 . 1 . 1 67 67 GLU HG3 H 1 2.054 0.020 . 2 . . . . . 67 GLU HG3 . 50681 1
353 . 1 . 1 67 67 GLU C C 13 176.013 0.3 . 1 . . . . . 67 GLU C . 50681 1
354 . 1 . 1 67 67 GLU CA C 13 56.409 0.3 . 1 . . . . . 67 GLU CA . 50681 1
355 . 1 . 1 67 67 GLU CB C 13 26.849 0.3 . 1 . . . . . 67 GLU CB . 50681 1
356 . 1 . 1 67 67 GLU CG C 13 33.282 0.3 . 1 . . . . . 67 GLU CG . 50681 1
357 . 1 . 1 67 67 GLU N N 15 120.868 0.3 . 1 . . . . . 67 GLU N . 50681 1
358 . 1 . 1 68 68 GLU H H 1 8.096 0.020 . 1 . . . . . 68 GLU H . 50681 1
359 . 1 . 1 68 68 GLU HA H 1 3.963 0.020 . 1 . . . . . 68 GLU HA . 50681 1
360 . 1 . 1 68 68 GLU HB2 H 1 1.983 0.020 . 2 . . . . . 68 GLU HB2 . 50681 1
361 . 1 . 1 68 68 GLU HB3 H 1 1.830 0.020 . 2 . . . . . 68 GLU HB3 . 50681 1
362 . 1 . 1 68 68 GLU HG2 H 1 2.379 0.020 . 2 . . . . . 68 GLU HG2 . 50681 1
363 . 1 . 1 68 68 GLU HG3 H 1 2.150 0.020 . 2 . . . . . 68 GLU HG3 . 50681 1
364 . 1 . 1 68 68 GLU C C 13 175.692 0.3 . 1 . . . . . 68 GLU C . 50681 1
365 . 1 . 1 68 68 GLU CA C 13 55.895 0.3 . 1 . . . . . 68 GLU CA . 50681 1
366 . 1 . 1 68 68 GLU CB C 13 27.326 0.3 . 1 . . . . . 68 GLU CB . 50681 1
367 . 1 . 1 68 68 GLU CG C 13 33.918 0.3 . 1 . . . . . 68 GLU CG . 50681 1
368 . 1 . 1 68 68 GLU N N 15 116.553 0.3 . 1 . . . . . 68 GLU N . 50681 1
369 . 1 . 1 69 69 THR H H 1 7.605 0.020 . 1 . . . . . 69 THR H . 50681 1
370 . 1 . 1 69 69 THR HA H 1 4.219 0.020 . 1 . . . . . 69 THR HA . 50681 1
371 . 1 . 1 69 69 THR HB H 1 3.738 0.020 . 1 . . . . . 69 THR HB . 50681 1
372 . 1 . 1 69 69 THR HG21 H 1 0.904 0.020 . 1 . . . . . 69 THR HG2 . 50681 1
373 . 1 . 1 69 69 THR HG22 H 1 0.904 0.020 . 1 . . . . . 69 THR HG2 . 50681 1
374 . 1 . 1 69 69 THR HG23 H 1 0.904 0.020 . 1 . . . . . 69 THR HG2 . 50681 1
375 . 1 . 1 69 69 THR C C 13 172.503 0.3 . 1 . . . . . 69 THR C . 50681 1
376 . 1 . 1 69 69 THR CA C 13 59.598 0.3 . 1 . . . . . 69 THR CA . 50681 1
377 . 1 . 1 69 69 THR CB C 13 69.278 0.3 . 1 . . . . . 69 THR CB . 50681 1
378 . 1 . 1 69 69 THR CG2 C 13 18.626 0.3 . 1 . . . . . 69 THR CG2 . 50681 1
379 . 1 . 1 69 69 THR N N 15 104.693 0.3 . 1 . . . . . 69 THR N . 50681 1
380 . 1 . 1 70 70 GLY H H 1 7.759 0.020 . 1 . . . . . 70 GLY H . 50681 1
381 . 1 . 1 70 70 GLY HA2 H 1 3.863 0.020 . 1 . . . . . 70 GLY HA2 . 50681 1
382 . 1 . 1 70 70 GLY HA3 H 1 3.863 0.020 . 1 . . . . . 70 GLY HA3 . 50681 1
383 . 1 . 1 70 70 GLY C C 13 171.310 0.3 . 1 . . . . . 70 GLY C . 50681 1
384 . 1 . 1 70 70 GLY CA C 13 42.328 0.3 . 1 . . . . . 70 GLY CA . 50681 1
385 . 1 . 1 70 70 GLY N N 15 110.688 0.3 . 1 . . . . . 70 GLY N . 50681 1
386 . 1 . 1 71 71 ASP H H 1 7.123 0.020 . 1 . . . . . 71 ASP H . 50681 1
387 . 1 . 1 71 71 ASP HA H 1 4.377 0.020 . 1 . . . . . 71 ASP HA . 50681 1
388 . 1 . 1 71 71 ASP HB2 H 1 2.713 0.020 . 1 . . . . . 71 ASP HB2 . 50681 1
389 . 1 . 1 71 71 ASP HB3 H 1 2.713 0.020 . 1 . . . . . 71 ASP HB3 . 50681 1
390 . 1 . 1 71 71 ASP C C 13 170.549 0.3 . 1 . . . . . 71 ASP C . 50681 1
391 . 1 . 1 71 71 ASP CA C 13 50.196 0.3 . 1 . . . . . 71 ASP CA . 50681 1
392 . 1 . 1 71 71 ASP CB C 13 39.303 0.3 . 1 . . . . . 71 ASP CB . 50681 1
393 . 1 . 1 71 71 ASP N N 15 120.469 0.3 . 1 . . . . . 71 ASP N . 50681 1
394 . 1 . 1 72 72 ASN H H 1 9.032 0.020 . 1 . . . . . 72 ASN H . 50681 1
395 . 1 . 1 72 72 ASN HA H 1 4.765 0.020 . 1 . . . . . 72 ASN HA . 50681 1
396 . 1 . 1 72 72 ASN HB2 H 1 2.485 0.020 . 2 . . . . . 72 ASN HB2 . 50681 1
397 . 1 . 1 72 72 ASN HB3 H 1 2.717 0.020 . 2 . . . . . 72 ASN HB3 . 50681 1
398 . 1 . 1 72 72 ASN CA C 13 48.784 0.3 . 1 . . . . . 72 ASN CA . 50681 1
399 . 1 . 1 72 72 ASN CB C 13 39.358 0.3 . 1 . . . . . 72 ASN CB . 50681 1
400 . 1 . 1 72 72 ASN N N 15 118.532 0.3 . 1 . . . . . 72 ASN N . 50681 1
401 . 1 . 1 77 77 ILE H H 1 9.378 0.020 . 1 . . . . . 77 ILE H . 50681 1
402 . 1 . 1 77 77 ILE HA H 1 4.580 0.020 . 1 . . . . . 77 ILE HA . 50681 1
403 . 1 . 1 77 77 ILE HB H 1 1.528 0.020 . 1 . . . . . 77 ILE HB . 50681 1
404 . 1 . 1 77 77 ILE HG12 H 1 0.770 0.020 . 2 . . . . . 77 ILE HG12 . 50681 1
405 . 1 . 1 77 77 ILE HG13 H 1 1.293 0.020 . 2 . . . . . 77 ILE HG13 . 50681 1
406 . 1 . 1 77 77 ILE HG21 H 1 0.588 0.020 . 1 . . . . . 77 ILE HG2 . 50681 1
407 . 1 . 1 77 77 ILE HG22 H 1 0.588 0.020 . 1 . . . . . 77 ILE HG2 . 50681 1
408 . 1 . 1 77 77 ILE HG23 H 1 0.588 0.020 . 1 . . . . . 77 ILE HG2 . 50681 1
409 . 1 . 1 77 77 ILE HD11 H 1 0.643 0.020 . 1 . . . . . 77 ILE HD1 . 50681 1
410 . 1 . 1 77 77 ILE HD12 H 1 0.643 0.020 . 1 . . . . . 77 ILE HD1 . 50681 1
411 . 1 . 1 77 77 ILE HD13 H 1 0.643 0.020 . 1 . . . . . 77 ILE HD1 . 50681 1
412 . 1 . 1 77 77 ILE C C 13 171.575 0.3 . 1 . . . . . 77 ILE C . 50681 1
413 . 1 . 1 77 77 ILE CA C 13 57.809 0.3 . 1 . . . . . 77 ILE CA . 50681 1
414 . 1 . 1 77 77 ILE CB C 13 37.417 0.3 . 1 . . . . . 77 ILE CB . 50681 1
415 . 1 . 1 77 77 ILE CG1 C 13 26.089 0.3 . 1 . . . . . 77 ILE CG1 . 50681 1
416 . 1 . 1 77 77 ILE CG2 C 13 14.517 0.3 . 1 . . . . . 77 ILE CG2 . 50681 1
417 . 1 . 1 77 77 ILE CD1 C 13 11.390 0.3 . 1 . . . . . 77 ILE CD1 . 50681 1
418 . 1 . 1 77 77 ILE N N 15 127.924 0.3 . 1 . . . . . 77 ILE N . 50681 1
419 . 1 . 1 78 78 ILE H H 1 8.598 0.020 . 1 . . . . . 78 ILE H . 50681 1
420 . 1 . 1 78 78 ILE HA H 1 4.979 0.020 . 1 . . . . . 78 ILE HA . 50681 1
421 . 1 . 1 78 78 ILE HB H 1 1.916 0.020 . 1 . . . . . 78 ILE HB . 50681 1
422 . 1 . 1 78 78 ILE HG12 H 1 1.375 0.020 . 2 . . . . . 78 ILE HG12 . 50681 1
423 . 1 . 1 78 78 ILE HG13 H 1 1.186 0.020 . 2 . . . . . 78 ILE HG13 . 50681 1
424 . 1 . 1 78 78 ILE HG21 H 1 0.729 0.020 . 1 . . . . . 78 ILE HG2 . 50681 1
425 . 1 . 1 78 78 ILE HG22 H 1 0.729 0.020 . 1 . . . . . 78 ILE HG2 . 50681 1
426 . 1 . 1 78 78 ILE HG23 H 1 0.729 0.020 . 1 . . . . . 78 ILE HG2 . 50681 1
427 . 1 . 1 78 78 ILE HD11 H 1 0.602 0.020 . 1 . . . . . 78 ILE HD1 . 50681 1
428 . 1 . 1 78 78 ILE HD12 H 1 0.602 0.020 . 1 . . . . . 78 ILE HD1 . 50681 1
429 . 1 . 1 78 78 ILE HD13 H 1 0.602 0.020 . 1 . . . . . 78 ILE HD1 . 50681 1
430 . 1 . 1 78 78 ILE C C 13 171.966 0.3 . 1 . . . . . 78 ILE C . 50681 1
431 . 1 . 1 78 78 ILE CA C 13 54.994 0.3 . 1 . . . . . 78 ILE CA . 50681 1
432 . 1 . 1 78 78 ILE CB C 13 34.554 0.3 . 1 . . . . . 78 ILE CB . 50681 1
433 . 1 . 1 78 78 ILE CG1 C 13 23.683 0.3 . 1 . . . . . 78 ILE CG1 . 50681 1
434 . 1 . 1 78 78 ILE CG2 C 13 15.192 0.3 . 1 . . . . . 78 ILE CG2 . 50681 1
435 . 1 . 1 78 78 ILE CD1 C 13 7.534 0.3 . 1 . . . . . 78 ILE CD1 . 50681 1
436 . 1 . 1 78 78 ILE N N 15 127.309 0.3 . 1 . . . . . 78 ILE N . 50681 1
437 . 1 . 1 79 79 LYS H H 1 8.752 0.020 . 1 . . . . . 79 LYS H . 50681 1
438 . 1 . 1 79 79 LYS HA H 1 5.142 0.020 . 1 . . . . . 79 LYS HA . 50681 1
439 . 1 . 1 79 79 LYS HB2 H 1 1.952 0.020 . 2 . . . . . 79 LYS HB2 . 50681 1
440 . 1 . 1 79 79 LYS HB3 H 1 1.374 0.020 . 2 . . . . . 79 LYS HB3 . 50681 1
441 . 1 . 1 79 79 LYS HG2 H 1 1.132 0.020 . 2 . . . . . 79 LYS HG2 . 50681 1
442 . 1 . 1 79 79 LYS HG3 H 1 1.348 0.020 . 2 . . . . . 79 LYS HG3 . 50681 1
443 . 1 . 1 79 79 LYS HD2 H 1 1.401 0.020 . 2 . . . . . 79 LYS HD2 . 50681 1
444 . 1 . 1 79 79 LYS HD3 H 1 1.363 0.020 . 2 . . . . . 79 LYS HD3 . 50681 1
445 . 1 . 1 79 79 LYS HE2 H 1 2.580 0.020 . 1 . . . . . 79 LYS HE2 . 50681 1
446 . 1 . 1 79 79 LYS HE3 H 1 2.580 0.020 . 1 . . . . . 79 LYS HE3 . 50681 1
447 . 1 . 1 79 79 LYS C C 13 171.832 0.3 . 1 . . . . . 79 LYS C . 50681 1
448 . 1 . 1 79 79 LYS CA C 13 51.248 0.3 . 1 . . . . . 79 LYS CA . 50681 1
449 . 1 . 1 79 79 LYS CB C 13 33.330 0.3 . 1 . . . . . 79 LYS CB . 50681 1
450 . 1 . 1 79 79 LYS CG C 13 19.629 0.3 . 1 . . . . . 79 LYS CG . 50681 1
451 . 1 . 1 79 79 LYS CD C 13 26.628 0.3 . 1 . . . . . 79 LYS CD . 50681 1
452 . 1 . 1 79 79 LYS CE C 13 38.869 0.3 . 1 . . . . . 79 LYS CE . 50681 1
453 . 1 . 1 79 79 LYS N N 15 123.293 0.3 . 1 . . . . . 79 LYS N . 50681 1
454 . 1 . 1 80 80 LYS H H 1 7.880 0.020 . 1 . . . . . 80 LYS H . 50681 1
455 . 1 . 1 80 80 LYS HA H 1 4.650 0.020 . 1 . . . . . 80 LYS HA . 50681 1
456 . 1 . 1 80 80 LYS HB2 H 1 1.594 0.020 . 2 . . . . . 80 LYS HB2 . 50681 1
457 . 1 . 1 80 80 LYS HB3 H 1 1.652 0.020 . 2 . . . . . 80 LYS HB3 . 50681 1
458 . 1 . 1 80 80 LYS HG2 H 1 1.262 0.020 . 1 . . . . . 80 LYS HG2 . 50681 1
459 . 1 . 1 80 80 LYS HG3 H 1 1.262 0.020 . 1 . . . . . 80 LYS HG3 . 50681 1
460 . 1 . 1 80 80 LYS HD2 H 1 1.547 0.020 . 1 . . . . . 80 LYS HD2 . 50681 1
461 . 1 . 1 80 80 LYS HD3 H 1 1.547 0.020 . 1 . . . . . 80 LYS HD3 . 50681 1
462 . 1 . 1 80 80 LYS HE2 H 1 2.853 0.020 . 1 . . . . . 80 LYS HE2 . 50681 1
463 . 1 . 1 80 80 LYS HE3 H 1 2.853 0.020 . 1 . . . . . 80 LYS HE3 . 50681 1
464 . 1 . 1 80 80 LYS C C 13 174.358 0.3 . 1 . . . . . 80 LYS C . 50681 1
465 . 1 . 1 80 80 LYS CA C 13 53.033 0.3 . 1 . . . . . 80 LYS CA . 50681 1
466 . 1 . 1 80 80 LYS CB C 13 30.942 0.3 . 1 . . . . . 80 LYS CB . 50681 1
467 . 1 . 1 80 80 LYS CG C 13 21.814 0.3 . 1 . . . . . 80 LYS CG . 50681 1
468 . 1 . 1 80 80 LYS CD C 13 26.343 0.3 . 1 . . . . . 80 LYS CD . 50681 1
469 . 1 . 1 80 80 LYS CE C 13 39.211 0.3 . 1 . . . . . 80 LYS CE . 50681 1
470 . 1 . 1 80 80 LYS N N 15 120.850 0.3 . 1 . . . . . 80 LYS N . 50681 1
471 . 1 . 1 81 81 LYS H H 1 9.684 0.020 . 1 . . . . . 81 LYS H . 50681 1
472 . 1 . 1 81 81 LYS HA H 1 3.848 0.020 . 1 . . . . . 81 LYS HA . 50681 1
473 . 1 . 1 81 81 LYS HB2 H 1 1.626 0.020 . 2 . . . . . 81 LYS HB2 . 50681 1
474 . 1 . 1 81 81 LYS HB3 H 1 1.493 0.020 . 2 . . . . . 81 LYS HB3 . 50681 1
475 . 1 . 1 81 81 LYS HG2 H 1 1.310 0.020 . 1 . . . . . 81 LYS HG2 . 50681 1
476 . 1 . 1 81 81 LYS HG3 H 1 1.310 0.020 . 1 . . . . . 81 LYS HG3 . 50681 1
477 . 1 . 1 81 81 LYS HD2 H 1 1.579 0.020 . 2 . . . . . 81 LYS HD2 . 50681 1
478 . 1 . 1 81 81 LYS HD3 H 1 1.499 0.020 . 2 . . . . . 81 LYS HD3 . 50681 1
479 . 1 . 1 81 81 LYS HE2 H 1 2.853 0.020 . 1 . . . . . 81 LYS HE2 . 50681 1
480 . 1 . 1 81 81 LYS HE3 H 1 2.853 0.020 . 1 . . . . . 81 LYS HE3 . 50681 1
481 . 1 . 1 81 81 LYS C C 13 174.396 0.3 . 1 . . . . . 81 LYS C . 50681 1
482 . 1 . 1 81 81 LYS CA C 13 55.075 0.3 . 1 . . . . . 81 LYS CA . 50681 1
483 . 1 . 1 81 81 LYS CB C 13 29.229 0.3 . 1 . . . . . 81 LYS CB . 50681 1
484 . 1 . 1 81 81 LYS CG C 13 21.202 0.3 . 1 . . . . . 81 LYS CG . 50681 1
485 . 1 . 1 81 81 LYS CD C 13 26.191 0.3 . 1 . . . . . 81 LYS CD . 50681 1
486 . 1 . 1 81 81 LYS CE C 13 38.459 0.3 . 1 . . . . . 81 LYS CE . 50681 1
487 . 1 . 1 81 81 LYS N N 15 126.629 0.3 . 1 . . . . . 81 LYS N . 50681 1
488 . 1 . 1 82 82 GLU H H 1 8.580 0.020 . 1 . . . . . 82 GLU H . 50681 1
489 . 1 . 1 82 82 GLU HA H 1 4.183 0.020 . 1 . . . . . 82 GLU HA . 50681 1
490 . 1 . 1 82 82 GLU HB2 H 1 1.969 0.020 . 2 . . . . . 82 GLU HB2 . 50681 1
491 . 1 . 1 82 82 GLU HB3 H 1 1.814 0.020 . 2 . . . . . 82 GLU HB3 . 50681 1
492 . 1 . 1 82 82 GLU HG2 H 1 2.154 0.020 . 1 . . . . . 82 GLU HG2 . 50681 1
493 . 1 . 1 82 82 GLU HG3 H 1 2.154 0.020 . 1 . . . . . 82 GLU HG3 . 50681 1
494 . 1 . 1 82 82 GLU C C 13 172.977 0.3 . 1 . . . . . 82 GLU C . 50681 1
495 . 1 . 1 82 82 GLU CA C 13 53.879 0.3 . 1 . . . . . 82 GLU CA . 50681 1
496 . 1 . 1 82 82 GLU CB C 13 27.184 0.3 . 1 . . . . . 82 GLU CB . 50681 1
497 . 1 . 1 82 82 GLU CG C 13 33.574 0.3 . 1 . . . . . 82 GLU CG . 50681 1
498 . 1 . 1 82 82 GLU N N 15 122.958 0.3 . 1 . . . . . 82 GLU N . 50681 1
499 . 1 . 1 83 83 THR H H 1 7.689 0.020 . 1 . . . . . 83 THR H . 50681 1
500 . 1 . 1 83 83 THR HA H 1 4.018 0.020 . 1 . . . . . 83 THR HA . 50681 1
501 . 1 . 1 83 83 THR HB H 1 4.110 0.020 . 1 . . . . . 83 THR HB . 50681 1
502 . 1 . 1 83 83 THR HG21 H 1 1.015 0.020 . 1 . . . . . 83 THR HG2 . 50681 1
503 . 1 . 1 83 83 THR HG22 H 1 1.015 0.020 . 1 . . . . . 83 THR HG2 . 50681 1
504 . 1 . 1 83 83 THR HG23 H 1 1.015 0.020 . 1 . . . . . 83 THR HG2 . 50681 1
505 . 1 . 1 83 83 THR C C 13 176.410 0.3 . 1 . . . . . 83 THR C . 50681 1
506 . 1 . 1 83 83 THR CA C 13 60.342 0.3 . 1 . . . . . 83 THR CA . 50681 1
507 . 1 . 1 83 83 THR CB C 13 67.972 0.3 . 1 . . . . . 83 THR CB . 50681 1
508 . 1 . 1 83 83 THR CG2 C 13 19.234 0.3 . 1 . . . . . 83 THR CG2 . 50681 1
509 . 1 . 1 83 83 THR N N 15 120.295 0.3 . 1 . . . . . 83 THR N . 50681 1
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