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 31081
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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
1 '3D HNCA' . . . 31081 1
2 '3D HNCO' . . . 31081 1
3 '3D CBCA(CO)NH' . . . 31081 1
4 '3D HBHA(CO)NH' . . . 31081 1
5 '3D 1H-15N NOESY' . . . 31081 1
6 '3D 1H-13C NOESY aliphatic' . . . 31081 1
7 '3D 1H-13C NOESY aromatic' . . . 31081 1
8 '2D 1H-15N HSQC' . . . 31081 1
9 '2D 1H-13C HSQC' . . . 31081 1
10 '3D HCCH-TOCSY' . . . 31081 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 13 13 GLY HA2 H 1 3.891 0.04 . 2 . . . . A 13 GLY HA2 . 31081 1
2 . 1 . 1 13 13 GLY HA3 H 1 3.891 0.04 . 2 . . . . A 13 GLY HA3 . 31081 1
3 . 1 . 1 13 13 GLY C C 13 173.796 0.40 . 1 . . . . A 13 GLY C . 31081 1
4 . 1 . 1 13 13 GLY CA C 13 45.261 0.40 . 1 . . . . A 13 GLY CA . 31081 1
5 . 1 . 1 14 14 LEU H H 1 7.976 0.04 . 1 . . . . A 14 LEU H . 31081 1
6 . 1 . 1 14 14 LEU HA H 1 4.277 0.04 . 1 . . . . A 14 LEU HA . 31081 1
7 . 1 . 1 14 14 LEU HB2 H 1 1.502 0.04 . 2 . . . . A 14 LEU HB2 . 31081 1
8 . 1 . 1 14 14 LEU HB3 H 1 1.457 0.04 . 2 . . . . A 14 LEU HB3 . 31081 1
9 . 1 . 1 14 14 LEU HG H 1 1.448 0.04 . 1 . . . . A 14 LEU HG . 31081 1
10 . 1 . 1 14 14 LEU HD11 H 1 0.773 0.04 . 2 . . . . A 14 LEU HD11 . 31081 1
11 . 1 . 1 14 14 LEU HD12 H 1 0.773 0.04 . 2 . . . . A 14 LEU HD12 . 31081 1
12 . 1 . 1 14 14 LEU HD13 H 1 0.773 0.04 . 2 . . . . A 14 LEU HD13 . 31081 1
13 . 1 . 1 14 14 LEU HD21 H 1 0.718 0.04 . 2 . . . . A 14 LEU HD21 . 31081 1
14 . 1 . 1 14 14 LEU HD22 H 1 0.718 0.04 . 2 . . . . A 14 LEU HD22 . 31081 1
15 . 1 . 1 14 14 LEU HD23 H 1 0.718 0.04 . 2 . . . . A 14 LEU HD23 . 31081 1
16 . 1 . 1 14 14 LEU C C 13 177.052 0.40 . 1 . . . . A 14 LEU C . 31081 1
17 . 1 . 1 14 14 LEU CA C 13 55.085 0.40 . 1 . . . . A 14 LEU CA . 31081 1
18 . 1 . 1 14 14 LEU CB C 13 42.364 0.40 . 1 . . . . A 14 LEU CB . 31081 1
19 . 1 . 1 14 14 LEU CG C 13 26.845 0.40 . 1 . . . . A 14 LEU CG . 31081 1
20 . 1 . 1 14 14 LEU CD1 C 13 24.756 0.40 . 2 . . . . A 14 LEU CD1 . 31081 1
21 . 1 . 1 14 14 LEU CD2 C 13 23.394 0.40 . 2 . . . . A 14 LEU CD2 . 31081 1
22 . 1 . 1 14 14 LEU N N 15 121.531 0.40 . 1 . . . . A 14 LEU N . 31081 1
23 . 1 . 1 15 15 VAL H H 1 7.997 0.04 . 1 . . . . A 15 VAL H . 31081 1
24 . 1 . 1 15 15 VAL N N 15 122.435 0.40 . 1 . . . . A 15 VAL N . 31081 1
25 . 1 . 1 16 16 PRO HA H 1 4.317 0.04 . 1 . . . . A 16 PRO HA . 31081 1
26 . 1 . 1 16 16 PRO HB2 H 1 2.167 0.04 . 2 . . . . A 16 PRO HB2 . 31081 1
27 . 1 . 1 16 16 PRO HB3 H 1 1.789 0.04 . 2 . . . . A 16 PRO HB3 . 31081 1
28 . 1 . 1 16 16 PRO HG2 H 1 1.924 0.04 . 2 . . . . A 16 PRO HG2 . 31081 1
29 . 1 . 1 16 16 PRO HG3 H 1 1.860 0.04 . 2 . . . . A 16 PRO HG3 . 31081 1
30 . 1 . 1 16 16 PRO HD2 H 1 3.750 0.04 . 2 . . . . A 16 PRO HD2 . 31081 1
31 . 1 . 1 16 16 PRO HD3 H 1 3.547 0.04 . 2 . . . . A 16 PRO HD3 . 31081 1
32 . 1 . 1 16 16 PRO C C 13 176.794 0.40 . 1 . . . . A 16 PRO C . 31081 1
33 . 1 . 1 16 16 PRO CA C 13 63.135 0.40 . 1 . . . . A 16 PRO CA . 31081 1
34 . 1 . 1 16 16 PRO CB C 13 32.055 0.40 . 1 . . . . A 16 PRO CB . 31081 1
35 . 1 . 1 16 16 PRO CG C 13 27.360 0.40 . 1 . . . . A 16 PRO CG . 31081 1
36 . 1 . 1 16 16 PRO CD C 13 51.004 0.40 . 1 . . . . A 16 PRO CD . 31081 1
37 . 1 . 1 17 17 ARG H H 1 8.411 0.04 . 1 . . . . A 17 ARG H . 31081 1
38 . 1 . 1 17 17 ARG N N 15 122.086 0.40 . 1 . . . . A 17 ARG N . 31081 1
39 . 1 . 1 21 21 MET HA H 1 4.442 0.04 . 1 . . . . A 21 MET HA . 31081 1
40 . 1 . 1 21 21 MET HB2 H 1 1.900 0.04 . 2 . . . . A 21 MET HB2 . 31081 1
41 . 1 . 1 21 21 MET HB3 H 1 1.900 0.04 . 2 . . . . A 21 MET HB3 . 31081 1
42 . 1 . 1 21 21 MET HG2 H 1 2.341 0.04 . 2 . . . . A 21 MET HG2 . 31081 1
43 . 1 . 1 21 21 MET HG3 H 1 2.307 0.04 . 2 . . . . A 21 MET HG3 . 31081 1
44 . 1 . 1 21 21 MET C C 13 175.541 0.40 . 1 . . . . A 21 MET C . 31081 1
45 . 1 . 1 21 21 MET CA C 13 55.257 0.40 . 1 . . . . A 21 MET CA . 31081 1
46 . 1 . 1 21 21 MET CB C 13 33.129 0.40 . 1 . . . . A 21 MET CB . 31081 1
47 . 1 . 1 21 21 MET CG C 13 31.738 0.40 . 1 . . . . A 21 MET CG . 31081 1
48 . 1 . 1 22 22 THR H H 1 8.075 0.04 . 1 . . . . A 22 THR H . 31081 1
49 . 1 . 1 22 22 THR HA H 1 4.476 0.04 . 1 . . . . A 22 THR HA . 31081 1
50 . 1 . 1 22 22 THR HB H 1 3.914 0.04 . 1 . . . . A 22 THR HB . 31081 1
51 . 1 . 1 22 22 THR HG21 H 1 0.962 0.04 . 1 . . . . A 22 THR HG21 . 31081 1
52 . 1 . 1 22 22 THR HG22 H 1 0.962 0.04 . 1 . . . . A 22 THR HG22 . 31081 1
53 . 1 . 1 22 22 THR HG23 H 1 0.962 0.04 . 1 . . . . A 22 THR HG23 . 31081 1
54 . 1 . 1 22 22 THR C C 13 174.053 0.40 . 1 . . . . A 22 THR C . 31081 1
55 . 1 . 1 22 22 THR CA C 13 62.004 0.40 . 1 . . . . A 22 THR CA . 31081 1
56 . 1 . 1 22 22 THR CB C 13 69.981 0.40 . 1 . . . . A 22 THR CB . 31081 1
57 . 1 . 1 22 22 THR CG2 C 13 21.919 0.40 . 1 . . . . A 22 THR CG2 . 31081 1
58 . 1 . 1 22 22 THR N N 15 117.228 0.40 . 1 . . . . A 22 THR N . 31081 1
59 . 1 . 1 23 23 THR H H 1 8.397 0.04 . 1 . . . . A 23 THR H . 31081 1
60 . 1 . 1 23 23 THR HA H 1 4.214 0.04 . 1 . . . . A 23 THR HA . 31081 1
61 . 1 . 1 23 23 THR HB H 1 3.624 0.04 . 1 . . . . A 23 THR HB . 31081 1
62 . 1 . 1 23 23 THR HG21 H 1 0.644 0.04 . 1 . . . . A 23 THR HG21 . 31081 1
63 . 1 . 1 23 23 THR HG22 H 1 0.644 0.04 . 1 . . . . A 23 THR HG22 . 31081 1
64 . 1 . 1 23 23 THR HG23 H 1 0.644 0.04 . 1 . . . . A 23 THR HG23 . 31081 1
65 . 1 . 1 23 23 THR C C 13 172.000 0.40 . 1 . . . . A 23 THR C . 31081 1
66 . 1 . 1 23 23 THR CA C 13 61.914 0.40 . 1 . . . . A 23 THR CA . 31081 1
67 . 1 . 1 23 23 THR CB C 13 70.238 0.40 . 1 . . . . A 23 THR CB . 31081 1
68 . 1 . 1 23 23 THR CG2 C 13 21.060 0.40 . 1 . . . . A 23 THR CG2 . 31081 1
69 . 1 . 1 23 23 THR N N 15 120.556 0.40 . 1 . . . . A 23 THR N . 31081 1
70 . 1 . 1 24 24 ARG H H 1 8.012 0.04 . 1 . . . . A 24 ARG H . 31081 1
71 . 1 . 1 24 24 ARG HA H 1 5.100 0.04 . 1 . . . . A 24 ARG HA . 31081 1
72 . 1 . 1 24 24 ARG HB2 H 1 1.409 0.04 . 2 . . . . A 24 ARG HB2 . 31081 1
73 . 1 . 1 24 24 ARG HB3 H 1 1.409 0.04 . 2 . . . . A 24 ARG HB3 . 31081 1
74 . 1 . 1 24 24 ARG HG2 H 1 1.331 0.04 . 2 . . . . A 24 ARG HG2 . 31081 1
75 . 1 . 1 24 24 ARG HG3 H 1 1.201 0.04 . 2 . . . . A 24 ARG HG3 . 31081 1
76 . 1 . 1 24 24 ARG HD2 H 1 3.015 0.04 . 2 . . . . A 24 ARG HD2 . 31081 1
77 . 1 . 1 24 24 ARG HD3 H 1 2.934 0.04 . 2 . . . . A 24 ARG HD3 . 31081 1
78 . 1 . 1 24 24 ARG C C 13 174.606 0.40 . 1 . . . . A 24 ARG C . 31081 1
79 . 1 . 1 24 24 ARG CA C 13 54.487 0.40 . 1 . . . . A 24 ARG CA . 31081 1
80 . 1 . 1 24 24 ARG CB C 13 32.890 0.40 . 1 . . . . A 24 ARG CB . 31081 1
81 . 1 . 1 24 24 ARG CG C 13 27.905 0.40 . 1 . . . . A 24 ARG CG . 31081 1
82 . 1 . 1 24 24 ARG CD C 13 43.186 0.40 . 1 . . . . A 24 ARG CD . 31081 1
83 . 1 . 1 24 24 ARG N N 15 123.702 0.40 . 1 . . . . A 24 ARG N . 31081 1
84 . 1 . 1 25 25 TYR H H 1 8.909 0.04 . 1 . . . . A 25 TYR H . 31081 1
85 . 1 . 1 25 25 TYR HA H 1 4.510 0.04 . 1 . . . . A 25 TYR HA . 31081 1
86 . 1 . 1 25 25 TYR HB2 H 1 2.938 0.04 . 2 . . . . A 25 TYR HB2 . 31081 1
87 . 1 . 1 25 25 TYR HB3 H 1 2.729 0.04 . 2 . . . . A 25 TYR HB3 . 31081 1
88 . 1 . 1 25 25 TYR HD1 H 1 6.877 0.04 . 3 . . . . A 25 TYR HD1 . 31081 1
89 . 1 . 1 25 25 TYR HD2 H 1 6.877 0.04 . 3 . . . . A 25 TYR HD2 . 31081 1
90 . 1 . 1 25 25 TYR HE1 H 1 6.257 0.04 . 3 . . . . A 25 TYR HE1 . 31081 1
91 . 1 . 1 25 25 TYR HE2 H 1 6.257 0.04 . 3 . . . . A 25 TYR HE2 . 31081 1
92 . 1 . 1 25 25 TYR C C 13 174.320 0.40 . 1 . . . . A 25 TYR C . 31081 1
93 . 1 . 1 25 25 TYR CA C 13 57.026 0.40 . 1 . . . . A 25 TYR CA . 31081 1
94 . 1 . 1 25 25 TYR CB C 13 41.943 0.40 . 1 . . . . A 25 TYR CB . 31081 1
95 . 1 . 1 25 25 TYR CD1 C 13 133.047 0.40 . 3 . . . . A 25 TYR CD1 . 31081 1
96 . 1 . 1 25 25 TYR CD2 C 13 133.047 0.40 . 3 . . . . A 25 TYR CD2 . 31081 1
97 . 1 . 1 25 25 TYR CE1 C 13 118.076 0.40 . 3 . . . . A 25 TYR CE1 . 31081 1
98 . 1 . 1 25 25 TYR CE2 C 13 118.076 0.40 . 3 . . . . A 25 TYR CE2 . 31081 1
99 . 1 . 1 25 25 TYR N N 15 123.507 0.40 . 1 . . . . A 25 TYR N . 31081 1
100 . 1 . 1 26 26 ARG H H 1 8.445 0.04 . 1 . . . . A 26 ARG H . 31081 1
101 . 1 . 1 26 26 ARG HA H 1 5.146 0.04 . 1 . . . . A 26 ARG HA . 31081 1
102 . 1 . 1 26 26 ARG HB2 H 1 1.463 0.04 . 2 . . . . A 26 ARG HB2 . 31081 1
103 . 1 . 1 26 26 ARG HB3 H 1 1.463 0.04 . 2 . . . . A 26 ARG HB3 . 31081 1
104 . 1 . 1 26 26 ARG HG2 H 1 1.350 0.04 . 2 . . . . A 26 ARG HG2 . 31081 1
105 . 1 . 1 26 26 ARG HG3 H 1 1.284 0.04 . 2 . . . . A 26 ARG HG3 . 31081 1
106 . 1 . 1 26 26 ARG HD2 H 1 2.465 0.04 . 2 . . . . A 26 ARG HD2 . 31081 1
107 . 1 . 1 26 26 ARG HD3 H 1 2.171 0.04 . 2 . . . . A 26 ARG HD3 . 31081 1
108 . 1 . 1 26 26 ARG C C 13 174.874 0.40 . 1 . . . . A 26 ARG C . 31081 1
109 . 1 . 1 26 26 ARG CA C 13 55.641 0.40 . 1 . . . . A 26 ARG CA . 31081 1
110 . 1 . 1 26 26 ARG CB C 13 33.176 0.40 . 1 . . . . A 26 ARG CB . 31081 1
111 . 1 . 1 26 26 ARG CG C 13 27.739 0.40 . 1 . . . . A 26 ARG CG . 31081 1
112 . 1 . 1 26 26 ARG CD C 13 43.108 0.40 . 1 . . . . A 26 ARG CD . 31081 1
113 . 1 . 1 26 26 ARG N N 15 122.233 0.40 . 1 . . . . A 26 ARG N . 31081 1
114 . 1 . 1 27 27 PHE H H 1 9.423 0.04 . 1 . . . . A 27 PHE H . 31081 1
115 . 1 . 1 27 27 PHE HA H 1 5.006 0.04 . 1 . . . . A 27 PHE HA . 31081 1
116 . 1 . 1 27 27 PHE HB2 H 1 3.513 0.04 . 2 . . . . A 27 PHE HB2 . 31081 1
117 . 1 . 1 27 27 PHE HB3 H 1 2.861 0.04 . 2 . . . . A 27 PHE HB3 . 31081 1
118 . 1 . 1 27 27 PHE HD1 H 1 7.293 0.04 . 3 . . . . A 27 PHE HD1 . 31081 1
119 . 1 . 1 27 27 PHE HD2 H 1 7.294 0.04 . 3 . . . . A 27 PHE HD2 . 31081 1
120 . 1 . 1 27 27 PHE C C 13 175.839 0.40 . 1 . . . . A 27 PHE C . 31081 1
121 . 1 . 1 27 27 PHE CA C 13 57.000 0.40 . 1 . . . . A 27 PHE CA . 31081 1
122 . 1 . 1 27 27 PHE CB C 13 43.887 0.40 . 1 . . . . A 27 PHE CB . 31081 1
123 . 1 . 1 27 27 PHE CD1 C 13 132.200 0.40 . 3 . . . . A 27 PHE CD1 . 31081 1
124 . 1 . 1 27 27 PHE CD2 C 13 132.200 0.40 . 3 . . . . A 27 PHE CD2 . 31081 1
125 . 1 . 1 27 27 PHE N N 15 121.603 0.40 . 1 . . . . A 27 PHE N . 31081 1
126 . 1 . 1 28 28 THR H H 1 9.075 0.04 . 1 . . . . A 28 THR H . 31081 1
127 . 1 . 1 28 28 THR HA H 1 4.727 0.04 . 1 . . . . A 28 THR HA . 31081 1
128 . 1 . 1 28 28 THR HB H 1 4.897 0.04 . 1 . . . . A 28 THR HB . 31081 1
129 . 1 . 1 28 28 THR HG21 H 1 1.277 0.04 . 1 . . . . A 28 THR HG21 . 31081 1
130 . 1 . 1 28 28 THR HG22 H 1 1.277 0.04 . 1 . . . . A 28 THR HG22 . 31081 1
131 . 1 . 1 28 28 THR HG23 H 1 1.277 0.04 . 1 . . . . A 28 THR HG23 . 31081 1
132 . 1 . 1 28 28 THR C C 13 173.858 0.40 . 1 . . . . A 28 THR C . 31081 1
133 . 1 . 1 28 28 THR CA C 13 62.863 0.40 . 1 . . . . A 28 THR CA . 31081 1
134 . 1 . 1 28 28 THR CB C 13 69.155 0.40 . 1 . . . . A 28 THR CB . 31081 1
135 . 1 . 1 28 28 THR CG2 C 13 22.230 0.40 . 1 . . . . A 28 THR CG2 . 31081 1
136 . 1 . 1 28 28 THR N N 15 112.126 0.40 . 1 . . . . A 28 THR N . 31081 1
137 . 1 . 1 29 29 ASP H H 1 7.621 0.04 . 1 . . . . A 29 ASP H . 31081 1
138 . 1 . 1 29 29 ASP HA H 1 4.892 0.04 . 1 . . . . A 29 ASP HA . 31081 1
139 . 1 . 1 29 29 ASP HB2 H 1 2.719 0.04 . 2 . . . . A 29 ASP HB2 . 31081 1
140 . 1 . 1 29 29 ASP HB3 H 1 2.611 0.04 . 2 . . . . A 29 ASP HB3 . 31081 1
141 . 1 . 1 29 29 ASP CA C 13 53.131 0.40 . 1 . . . . A 29 ASP CA . 31081 1
142 . 1 . 1 29 29 ASP CB C 13 44.617 0.40 . 1 . . . . A 29 ASP CB . 31081 1
143 . 1 . 1 29 29 ASP N N 15 120.636 0.40 . 1 . . . . A 29 ASP N . 31081 1
144 . 1 . 1 30 30 GLU HA H 1 2.193 0.04 . 1 . . . . A 30 GLU HA . 31081 1
145 . 1 . 1 30 30 GLU HB2 H 1 1.185 0.04 . 2 . . . . A 30 GLU HB2 . 31081 1
146 . 1 . 1 30 30 GLU HB3 H 1 1.185 0.04 . 2 . . . . A 30 GLU HB3 . 31081 1
147 . 1 . 1 30 30 GLU HG2 H 1 1.286 0.04 . 2 . . . . A 30 GLU HG2 . 31081 1
148 . 1 . 1 30 30 GLU HG3 H 1 1.286 0.04 . 2 . . . . A 30 GLU HG3 . 31081 1
149 . 1 . 1 30 30 GLU C C 13 177.327 0.40 . 1 . . . . A 30 GLU C . 31081 1
150 . 1 . 1 30 30 GLU CA C 13 59.178 0.40 . 1 . . . . A 30 GLU CA . 31081 1
151 . 1 . 1 30 30 GLU CB C 13 29.443 0.40 . 1 . . . . A 30 GLU CB . 31081 1
152 . 1 . 1 30 30 GLU CG C 13 34.711 0.40 . 1 . . . . A 30 GLU CG . 31081 1
153 . 1 . 1 31 31 GLU H H 1 7.990 0.04 . 1 . . . . A 31 GLU H . 31081 1
154 . 1 . 1 31 31 GLU HA H 1 3.645 0.04 . 1 . . . . A 31 GLU HA . 31081 1
155 . 1 . 1 31 31 GLU HB2 H 1 1.903 0.04 . 2 . . . . A 31 GLU HB2 . 31081 1
156 . 1 . 1 31 31 GLU HB3 H 1 1.843 0.04 . 2 . . . . A 31 GLU HB3 . 31081 1
157 . 1 . 1 31 31 GLU HG2 H 1 2.120 0.04 . 2 . . . . A 31 GLU HG2 . 31081 1
158 . 1 . 1 31 31 GLU HG3 H 1 2.058 0.04 . 2 . . . . A 31 GLU HG3 . 31081 1
159 . 1 . 1 31 31 GLU C C 13 179.596 0.40 . 1 . . . . A 31 GLU C . 31081 1
160 . 1 . 1 31 31 GLU CA C 13 59.247 0.40 . 1 . . . . A 31 GLU CA . 31081 1
161 . 1 . 1 31 31 GLU CB C 13 28.494 0.40 . 1 . . . . A 31 GLU CB . 31081 1
162 . 1 . 1 31 31 GLU CG C 13 36.068 0.40 . 1 . . . . A 31 GLU CG . 31081 1
163 . 1 . 1 31 31 GLU N N 15 117.659 0.40 . 1 . . . . A 31 GLU N . 31081 1
164 . 1 . 1 32 32 GLU H H 1 7.889 0.04 . 1 . . . . A 32 GLU H . 31081 1
165 . 1 . 1 32 32 GLU HA H 1 3.672 0.04 . 1 . . . . A 32 GLU HA . 31081 1
166 . 1 . 1 32 32 GLU HB2 H 1 2.005 0.04 . 2 . . . . A 32 GLU HB2 . 31081 1
167 . 1 . 1 32 32 GLU HB3 H 1 2.005 0.04 . 2 . . . . A 32 GLU HB3 . 31081 1
168 . 1 . 1 32 32 GLU HG2 H 1 2.329 0.04 . 2 . . . . A 32 GLU HG2 . 31081 1
169 . 1 . 1 32 32 GLU HG3 H 1 2.159 0.04 . 2 . . . . A 32 GLU HG3 . 31081 1
170 . 1 . 1 32 32 GLU C C 13 178.602 0.40 . 1 . . . . A 32 GLU C . 31081 1
171 . 1 . 1 32 32 GLU CA C 13 59.050 0.40 . 1 . . . . A 32 GLU CA . 31081 1
172 . 1 . 1 32 32 GLU CB C 13 29.610 0.40 . 1 . . . . A 32 GLU CB . 31081 1
173 . 1 . 1 32 32 GLU CG C 13 36.442 0.40 . 1 . . . . A 32 GLU CG . 31081 1
174 . 1 . 1 32 32 GLU N N 15 120.085 0.40 . 1 . . . . A 32 GLU N . 31081 1
175 . 1 . 1 33 33 ALA H H 1 7.220 0.04 . 1 . . . . A 33 ALA H . 31081 1
176 . 1 . 1 33 33 ALA HA H 1 2.617 0.04 . 1 . . . . A 33 ALA HA . 31081 1
177 . 1 . 1 33 33 ALA HB1 H 1 1.089 0.04 . 1 . . . . A 33 ALA HB1 . 31081 1
178 . 1 . 1 33 33 ALA HB2 H 1 1.089 0.04 . 1 . . . . A 33 ALA HB2 . 31081 1
179 . 1 . 1 33 33 ALA HB3 H 1 1.089 0.04 . 1 . . . . A 33 ALA HB3 . 31081 1
180 . 1 . 1 33 33 ALA C C 13 178.734 0.40 . 1 . . . . A 33 ALA C . 31081 1
181 . 1 . 1 33 33 ALA CA C 13 54.285 0.40 . 1 . . . . A 33 ALA CA . 31081 1
182 . 1 . 1 33 33 ALA CB C 13 18.412 0.40 . 1 . . . . A 33 ALA CB . 31081 1
183 . 1 . 1 33 33 ALA N N 15 121.548 0.40 . 1 . . . . A 33 ALA N . 31081 1
184 . 1 . 1 34 34 ARG H H 1 8.215 0.04 . 1 . . . . A 34 ARG H . 31081 1
185 . 1 . 1 34 34 ARG HA H 1 3.700 0.04 . 1 . . . . A 34 ARG HA . 31081 1
186 . 1 . 1 34 34 ARG HB2 H 1 1.584 0.04 . 2 . . . . A 34 ARG HB2 . 31081 1
187 . 1 . 1 34 34 ARG HB3 H 1 1.396 0.04 . 2 . . . . A 34 ARG HB3 . 31081 1
188 . 1 . 1 34 34 ARG HD2 H 1 2.987 0.04 . 2 . . . . A 34 ARG HD2 . 31081 1
189 . 1 . 1 34 34 ARG HD3 H 1 2.885 0.04 . 2 . . . . A 34 ARG HD3 . 31081 1
190 . 1 . 1 34 34 ARG C C 13 179.545 0.40 . 1 . . . . A 34 ARG C . 31081 1
191 . 1 . 1 34 34 ARG CA C 13 59.872 0.40 . 1 . . . . A 34 ARG CA . 31081 1
192 . 1 . 1 34 34 ARG CB C 13 28.735 0.40 . 1 . . . . A 34 ARG CB . 31081 1
193 . 1 . 1 34 34 ARG CD C 13 42.522 0.40 . 1 . . . . A 34 ARG CD . 31081 1
194 . 1 . 1 34 34 ARG N N 15 115.808 0.40 . 1 . . . . A 34 ARG N . 31081 1
195 . 1 . 1 35 35 ARG H H 1 8.014 0.04 . 1 . . . . A 35 ARG H . 31081 1
196 . 1 . 1 35 35 ARG HA H 1 3.828 0.04 . 1 . . . . A 35 ARG HA . 31081 1
197 . 1 . 1 35 35 ARG HB2 H 1 1.729 0.04 . 2 . . . . A 35 ARG HB2 . 31081 1
198 . 1 . 1 35 35 ARG HB3 H 1 1.665 0.04 . 2 . . . . A 35 ARG HB3 . 31081 1
199 . 1 . 1 35 35 ARG HG2 H 1 1.654 0.04 . 2 . . . . A 35 ARG HG2 . 31081 1
200 . 1 . 1 35 35 ARG HG3 H 1 1.392 0.04 . 2 . . . . A 35 ARG HG3 . 31081 1
201 . 1 . 1 35 35 ARG HD2 H 1 3.090 0.04 . 2 . . . . A 35 ARG HD2 . 31081 1
202 . 1 . 1 35 35 ARG HD3 H 1 3.031 0.04 . 2 . . . . A 35 ARG HD3 . 31081 1
203 . 1 . 1 35 35 ARG C C 13 178.932 0.40 . 1 . . . . A 35 ARG C . 31081 1
204 . 1 . 1 35 35 ARG CA C 13 59.757 0.40 . 1 . . . . A 35 ARG CA . 31081 1
205 . 1 . 1 35 35 ARG CB C 13 30.081 0.40 . 1 . . . . A 35 ARG CB . 31081 1
206 . 1 . 1 35 35 ARG CG C 13 27.679 0.40 . 1 . . . . A 35 ARG CG . 31081 1
207 . 1 . 1 35 35 ARG CD C 13 43.484 0.40 . 1 . . . . A 35 ARG CD . 31081 1
208 . 1 . 1 35 35 ARG N N 15 121.394 0.40 . 1 . . . . A 35 ARG N . 31081 1
209 . 1 . 1 36 36 ALA H H 1 7.656 0.04 . 1 . . . . A 36 ALA H . 31081 1
210 . 1 . 1 36 36 ALA HA H 1 3.870 0.04 . 1 . . . . A 36 ALA HA . 31081 1
211 . 1 . 1 36 36 ALA HB1 H 1 1.188 0.04 . 1 . . . . A 36 ALA HB1 . 31081 1
212 . 1 . 1 36 36 ALA HB2 H 1 1.188 0.04 . 1 . . . . A 36 ALA HB2 . 31081 1
213 . 1 . 1 36 36 ALA HB3 H 1 1.188 0.04 . 1 . . . . A 36 ALA HB3 . 31081 1
214 . 1 . 1 36 36 ALA C C 13 179.759 0.40 . 1 . . . . A 36 ALA C . 31081 1
215 . 1 . 1 36 36 ALA CA C 13 54.885 0.40 . 1 . . . . A 36 ALA CA . 31081 1
216 . 1 . 1 36 36 ALA CB C 13 18.478 0.40 . 1 . . . . A 36 ALA CB . 31081 1
217 . 1 . 1 36 36 ALA N N 15 123.065 0.40 . 1 . . . . A 36 ALA N . 31081 1
218 . 1 . 1 37 37 ALA H H 1 8.453 0.04 . 1 . . . . A 37 ALA H . 31081 1
219 . 1 . 1 37 37 ALA HA H 1 3.993 0.04 . 1 . . . . A 37 ALA HA . 31081 1
220 . 1 . 1 37 37 ALA HB1 H 1 1.388 0.04 . 1 . . . . A 37 ALA HB1 . 31081 1
221 . 1 . 1 37 37 ALA HB2 H 1 1.388 0.04 . 1 . . . . A 37 ALA HB2 . 31081 1
222 . 1 . 1 37 37 ALA HB3 H 1 1.388 0.04 . 1 . . . . A 37 ALA HB3 . 31081 1
223 . 1 . 1 37 37 ALA C C 13 179.167 0.40 . 1 . . . . A 37 ALA C . 31081 1
224 . 1 . 1 37 37 ALA CA C 13 55.575 0.40 . 1 . . . . A 37 ALA CA . 31081 1
225 . 1 . 1 37 37 ALA CB C 13 18.505 0.40 . 1 . . . . A 37 ALA CB . 31081 1
226 . 1 . 1 37 37 ALA N N 15 119.434 0.40 . 1 . . . . A 37 ALA N . 31081 1
227 . 1 . 1 38 38 LYS H H 1 7.692 0.04 . 1 . . . . A 38 LYS H . 31081 1
228 . 1 . 1 38 38 LYS HA H 1 3.962 0.04 . 1 . . . . A 38 LYS HA . 31081 1
229 . 1 . 1 38 38 LYS HB2 H 1 1.840 0.04 . 2 . . . . A 38 LYS HB2 . 31081 1
230 . 1 . 1 38 38 LYS HB3 H 1 1.840 0.04 . 2 . . . . A 38 LYS HB3 . 31081 1
231 . 1 . 1 38 38 LYS HG2 H 1 1.515 0.04 . 2 . . . . A 38 LYS HG2 . 31081 1
232 . 1 . 1 38 38 LYS HG3 H 1 1.351 0.04 . 2 . . . . A 38 LYS HG3 . 31081 1
233 . 1 . 1 38 38 LYS HD2 H 1 1.594 0.04 . 2 . . . . A 38 LYS HD2 . 31081 1
234 . 1 . 1 38 38 LYS HD3 H 1 1.594 0.04 . 2 . . . . A 38 LYS HD3 . 31081 1
235 . 1 . 1 38 38 LYS HE2 H 1 2.864 0.04 . 2 . . . . A 38 LYS HE2 . 31081 1
236 . 1 . 1 38 38 LYS HE3 H 1 2.864 0.04 . 2 . . . . A 38 LYS HE3 . 31081 1
237 . 1 . 1 38 38 LYS C C 13 179.098 0.40 . 1 . . . . A 38 LYS C . 31081 1
238 . 1 . 1 38 38 LYS CA C 13 59.359 0.40 . 1 . . . . A 38 LYS CA . 31081 1
239 . 1 . 1 38 38 LYS CB C 13 32.334 0.40 . 1 . . . . A 38 LYS CB . 31081 1
240 . 1 . 1 38 38 LYS CG C 13 25.072 0.40 . 1 . . . . A 38 LYS CG . 31081 1
241 . 1 . 1 38 38 LYS CD C 13 29.313 0.40 . 1 . . . . A 38 LYS CD . 31081 1
242 . 1 . 1 38 38 LYS CE C 13 41.990 0.40 . 1 . . . . A 38 LYS CE . 31081 1
243 . 1 . 1 38 38 LYS N N 15 117.542 0.40 . 1 . . . . A 38 LYS N . 31081 1
244 . 1 . 1 39 39 GLU H H 1 7.514 0.04 . 1 . . . . A 39 GLU H . 31081 1
245 . 1 . 1 39 39 GLU HA H 1 4.051 0.04 . 1 . . . . A 39 GLU HA . 31081 1
246 . 1 . 1 39 39 GLU HB2 H 1 1.855 0.04 . 2 . . . . A 39 GLU HB2 . 31081 1
247 . 1 . 1 39 39 GLU HB3 H 1 1.687 0.04 . 2 . . . . A 39 GLU HB3 . 31081 1
248 . 1 . 1 39 39 GLU HG2 H 1 2.023 0.04 . 2 . . . . A 39 GLU HG2 . 31081 1
249 . 1 . 1 39 39 GLU HG3 H 1 1.878 0.04 . 2 . . . . A 39 GLU HG3 . 31081 1
250 . 1 . 1 39 39 GLU C C 13 179.124 0.40 . 1 . . . . A 39 GLU C . 31081 1
251 . 1 . 1 39 39 GLU CA C 13 58.701 0.40 . 1 . . . . A 39 GLU CA . 31081 1
252 . 1 . 1 39 39 GLU CB C 13 28.441 0.40 . 1 . . . . A 39 GLU CB . 31081 1
253 . 1 . 1 39 39 GLU CG C 13 35.105 0.40 . 1 . . . . A 39 GLU CG . 31081 1
254 . 1 . 1 39 39 GLU N N 15 120.448 0.40 . 1 . . . . A 39 GLU N . 31081 1
255 . 1 . 1 40 40 TRP H H 1 8.203 0.04 . 1 . . . . A 40 TRP H . 31081 1
256 . 1 . 1 40 40 TRP HA H 1 4.332 0.04 . 1 . . . . A 40 TRP HA . 31081 1
257 . 1 . 1 40 40 TRP HB2 H 1 3.049 0.04 . 2 . . . . A 40 TRP HB2 . 31081 1
258 . 1 . 1 40 40 TRP HB3 H 1 2.923 0.04 . 2 . . . . A 40 TRP HB3 . 31081 1
259 . 1 . 1 40 40 TRP C C 13 179.073 0.40 . 1 . . . . A 40 TRP C . 31081 1
260 . 1 . 1 40 40 TRP CA C 13 61.256 0.40 . 1 . . . . A 40 TRP CA . 31081 1
261 . 1 . 1 40 40 TRP CB C 13 29.418 0.40 . 1 . . . . A 40 TRP CB . 31081 1
262 . 1 . 1 40 40 TRP N N 15 119.228 0.40 . 1 . . . . A 40 TRP N . 31081 1
263 . 1 . 1 41 41 ALA H H 1 8.526 0.04 . 1 . . . . A 41 ALA H . 31081 1
264 . 1 . 1 41 41 ALA HA H 1 4.689 0.04 . 1 . . . . A 41 ALA HA . 31081 1
265 . 1 . 1 41 41 ALA HB1 H 1 1.532 0.04 . 1 . . . . A 41 ALA HB1 . 31081 1
266 . 1 . 1 41 41 ALA HB2 H 1 1.532 0.04 . 1 . . . . A 41 ALA HB2 . 31081 1
267 . 1 . 1 41 41 ALA HB3 H 1 1.532 0.04 . 1 . . . . A 41 ALA HB3 . 31081 1
268 . 1 . 1 41 41 ALA C C 13 182.603 0.40 . 1 . . . . A 41 ALA C . 31081 1
269 . 1 . 1 41 41 ALA CA C 13 54.809 0.40 . 1 . . . . A 41 ALA CA . 31081 1
270 . 1 . 1 41 41 ALA CB C 13 17.833 0.40 . 1 . . . . A 41 ALA CB . 31081 1
271 . 1 . 1 41 41 ALA N N 15 122.869 0.40 . 1 . . . . A 41 ALA N . 31081 1
272 . 1 . 1 42 42 ARG H H 1 8.183 0.04 . 1 . . . . A 42 ARG H . 31081 1
273 . 1 . 1 42 42 ARG HA H 1 4.068 0.04 . 1 . . . . A 42 ARG HA . 31081 1
274 . 1 . 1 42 42 ARG HB2 H 1 1.991 0.04 . 2 . . . . A 42 ARG HB2 . 31081 1
275 . 1 . 1 42 42 ARG HB3 H 1 1.991 0.04 . 2 . . . . A 42 ARG HB3 . 31081 1
276 . 1 . 1 42 42 ARG HG2 H 1 1.709 0.04 . 2 . . . . A 42 ARG HG2 . 31081 1
277 . 1 . 1 42 42 ARG HG3 H 1 1.657 0.04 . 2 . . . . A 42 ARG HG3 . 31081 1
278 . 1 . 1 42 42 ARG HD2 H 1 3.072 0.04 . 2 . . . . A 42 ARG HD2 . 31081 1
279 . 1 . 1 42 42 ARG HD3 H 1 3.018 0.04 . 2 . . . . A 42 ARG HD3 . 31081 1
280 . 1 . 1 42 42 ARG C C 13 178.317 0.40 . 1 . . . . A 42 ARG C . 31081 1
281 . 1 . 1 42 42 ARG CA C 13 59.008 0.40 . 1 . . . . A 42 ARG CA . 31081 1
282 . 1 . 1 42 42 ARG CB C 13 29.539 0.40 . 1 . . . . A 42 ARG CB . 31081 1
283 . 1 . 1 42 42 ARG CG C 13 27.279 0.40 . 1 . . . . A 42 ARG CG . 31081 1
284 . 1 . 1 42 42 ARG CD C 13 43.297 0.40 . 1 . . . . A 42 ARG CD . 31081 1
285 . 1 . 1 42 42 ARG N N 15 121.591 0.40 . 1 . . . . A 42 ARG N . 31081 1
286 . 1 . 1 43 43 ARG H H 1 7.496 0.04 . 1 . . . . A 43 ARG H . 31081 1
287 . 1 . 1 43 43 ARG HA H 1 4.259 0.04 . 1 . . . . A 43 ARG HA . 31081 1
288 . 1 . 1 43 43 ARG HB2 H 1 2.090 0.04 . 2 . . . . A 43 ARG HB2 . 31081 1
289 . 1 . 1 43 43 ARG HB3 H 1 2.394 0.04 . 2 . . . . A 43 ARG HB3 . 31081 1
290 . 1 . 1 43 43 ARG HG2 H 1 1.844 0.04 . 2 . . . . A 43 ARG HG2 . 31081 1
291 . 1 . 1 43 43 ARG HG3 H 1 1.640 0.04 . 2 . . . . A 43 ARG HG3 . 31081 1
292 . 1 . 1 43 43 ARG HD2 H 1 2.953 0.04 . 2 . . . . A 43 ARG HD2 . 31081 1
293 . 1 . 1 43 43 ARG HD3 H 1 2.767 0.04 . 2 . . . . A 43 ARG HD3 . 31081 1
294 . 1 . 1 43 43 ARG C C 13 175.826 0.40 . 1 . . . . A 43 ARG C . 31081 1
295 . 1 . 1 43 43 ARG CA C 13 56.649 0.40 . 1 . . . . A 43 ARG CA . 31081 1
296 . 1 . 1 43 43 ARG CB C 13 30.873 0.40 . 1 . . . . A 43 ARG CB . 31081 1
297 . 1 . 1 43 43 ARG CG C 13 27.670 0.40 . 1 . . . . A 43 ARG CG . 31081 1
298 . 1 . 1 43 43 ARG CD C 13 43.950 0.40 . 1 . . . . A 43 ARG CD . 31081 1
299 . 1 . 1 43 43 ARG N N 15 116.577 0.40 . 1 . . . . A 43 ARG N . 31081 1
300 . 1 . 1 44 44 GLY H H 1 7.895 0.04 . 1 . . . . A 44 GLY H . 31081 1
301 . 1 . 1 44 44 GLY HA2 H 1 4.151 0.04 . 2 . . . . A 44 GLY HA2 . 31081 1
302 . 1 . 1 44 44 GLY HA3 H 1 3.674 0.04 . 2 . . . . A 44 GLY HA3 . 31081 1
303 . 1 . 1 44 44 GLY C C 13 174.337 0.40 . 1 . . . . A 44 GLY C . 31081 1
304 . 1 . 1 44 44 GLY CA C 13 45.230 0.40 . 1 . . . . A 44 GLY CA . 31081 1
305 . 1 . 1 44 44 GLY N N 15 105.927 0.40 . 1 . . . . A 44 GLY N . 31081 1
306 . 1 . 1 45 45 TYR H H 1 7.607 0.04 . 1 . . . . A 45 TYR H . 31081 1
307 . 1 . 1 45 45 TYR HA H 1 4.521 0.04 . 1 . . . . A 45 TYR HA . 31081 1
308 . 1 . 1 45 45 TYR HB2 H 1 3.077 0.04 . 2 . . . . A 45 TYR HB2 . 31081 1
309 . 1 . 1 45 45 TYR HB3 H 1 2.524 0.04 . 2 . . . . A 45 TYR HB3 . 31081 1
310 . 1 . 1 45 45 TYR HD1 H 1 7.346 0.04 . 3 . . . . A 45 TYR HD1 . 31081 1
311 . 1 . 1 45 45 TYR HD2 H 1 7.346 0.04 . 3 . . . . A 45 TYR HD2 . 31081 1
312 . 1 . 1 45 45 TYR HE1 H 1 6.770 0.04 . 3 . . . . A 45 TYR HE1 . 31081 1
313 . 1 . 1 45 45 TYR HE2 H 1 6.770 0.04 . 3 . . . . A 45 TYR HE2 . 31081 1
314 . 1 . 1 45 45 TYR C C 13 175.500 0.40 . 1 . . . . A 45 TYR C . 31081 1
315 . 1 . 1 45 45 TYR CA C 13 58.384 0.40 . 1 . . . . A 45 TYR CA . 31081 1
316 . 1 . 1 45 45 TYR CB C 13 39.416 0.40 . 1 . . . . A 45 TYR CB . 31081 1
317 . 1 . 1 45 45 TYR CD1 C 13 133.800 0.40 . 3 . . . . A 45 TYR CD1 . 31081 1
318 . 1 . 1 45 45 TYR CD2 C 13 133.800 0.40 . 3 . . . . A 45 TYR CD2 . 31081 1
319 . 1 . 1 45 45 TYR CE1 C 13 117.900 0.40 . 3 . . . . A 45 TYR CE1 . 31081 1
320 . 1 . 1 45 45 TYR CE2 C 13 117.900 0.40 . 3 . . . . A 45 TYR CE2 . 31081 1
321 . 1 . 1 45 45 TYR N N 15 119.205 0.40 . 1 . . . . A 45 TYR N . 31081 1
322 . 1 . 1 46 46 GLN H H 1 9.085 0.04 . 1 . . . . A 46 GLN H . 31081 1
323 . 1 . 1 46 46 GLN HA H 1 4.498 0.04 . 1 . . . . A 46 GLN HA . 31081 1
324 . 1 . 1 46 46 GLN HB2 H 1 2.024 0.04 . 2 . . . . A 46 GLN HB2 . 31081 1
325 . 1 . 1 46 46 GLN HB3 H 1 1.995 0.04 . 2 . . . . A 46 GLN HB3 . 31081 1
326 . 1 . 1 46 46 GLN HG2 H 1 2.391 0.04 . 2 . . . . A 46 GLN HG2 . 31081 1
327 . 1 . 1 46 46 GLN HG3 H 1 2.264 0.04 . 2 . . . . A 46 GLN HG3 . 31081 1
328 . 1 . 1 46 46 GLN C C 13 175.807 0.40 . 1 . . . . A 46 GLN C . 31081 1
329 . 1 . 1 46 46 GLN CA C 13 55.381 0.40 . 1 . . . . A 46 GLN CA . 31081 1
330 . 1 . 1 46 46 GLN CB C 13 29.631 0.40 . 1 . . . . A 46 GLN CB . 31081 1
331 . 1 . 1 46 46 GLN CG C 13 33.963 0.40 . 1 . . . . A 46 GLN CG . 31081 1
332 . 1 . 1 46 46 GLN N N 15 121.388 0.40 . 1 . . . . A 46 GLN N . 31081 1
333 . 1 . 1 47 47 VAL H H 1 8.311 0.04 . 1 . . . . A 47 VAL H . 31081 1
334 . 1 . 1 47 47 VAL HA H 1 5.533 0.04 . 1 . . . . A 47 VAL HA . 31081 1
335 . 1 . 1 47 47 VAL HB H 1 1.882 0.04 . 1 . . . . A 47 VAL HB . 31081 1
336 . 1 . 1 47 47 VAL HG11 H 1 1.007 0.04 . 2 . . . . A 47 VAL HG11 . 31081 1
337 . 1 . 1 47 47 VAL HG12 H 1 1.007 0.04 . 2 . . . . A 47 VAL HG12 . 31081 1
338 . 1 . 1 47 47 VAL HG13 H 1 1.007 0.04 . 2 . . . . A 47 VAL HG13 . 31081 1
339 . 1 . 1 47 47 VAL HG21 H 1 0.929 0.04 . 2 . . . . A 47 VAL HG21 . 31081 1
340 . 1 . 1 47 47 VAL HG22 H 1 0.929 0.04 . 2 . . . . A 47 VAL HG22 . 31081 1
341 . 1 . 1 47 47 VAL HG23 H 1 0.929 0.04 . 2 . . . . A 47 VAL HG23 . 31081 1
342 . 1 . 1 47 47 VAL C C 13 175.336 0.40 . 1 . . . . A 47 VAL C . 31081 1
343 . 1 . 1 47 47 VAL CA C 13 59.518 0.40 . 1 . . . . A 47 VAL CA . 31081 1
344 . 1 . 1 47 47 VAL CB C 13 35.818 0.40 . 1 . . . . A 47 VAL CB . 31081 1
345 . 1 . 1 47 47 VAL CG1 C 13 22.372 0.40 . 2 . . . . A 47 VAL CG1 . 31081 1
346 . 1 . 1 47 47 VAL CG2 C 13 20.272 0.40 . 2 . . . . A 47 VAL CG2 . 31081 1
347 . 1 . 1 47 47 VAL N N 15 119.728 0.40 . 1 . . . . A 47 VAL N . 31081 1
348 . 1 . 1 48 48 HIS H H 1 8.559 0.04 . 1 . . . . A 48 HIS H . 31081 1
349 . 1 . 1 48 48 HIS HA H 1 4.930 0.04 . 1 . . . . A 48 HIS HA . 31081 1
350 . 1 . 1 48 48 HIS HB2 H 1 3.055 0.04 . 2 . . . . A 48 HIS HB2 . 31081 1
351 . 1 . 1 48 48 HIS HB3 H 1 2.999 0.04 . 2 . . . . A 48 HIS HB3 . 31081 1
352 . 1 . 1 48 48 HIS C C 13 173.765 0.40 . 1 . . . . A 48 HIS C . 31081 1
353 . 1 . 1 48 48 HIS CA C 13 55.550 0.40 . 1 . . . . A 48 HIS CA . 31081 1
354 . 1 . 1 48 48 HIS CB C 13 33.460 0.40 . 1 . . . . A 48 HIS CB . 31081 1
355 . 1 . 1 48 48 HIS N N 15 122.886 0.40 . 1 . . . . A 48 HIS N . 31081 1
356 . 1 . 1 49 49 VAL H H 1 8.667 0.04 . 1 . . . . A 49 VAL H . 31081 1
357 . 1 . 1 49 49 VAL HA H 1 5.151 0.04 . 1 . . . . A 49 VAL HA . 31081 1
358 . 1 . 1 49 49 VAL HB H 1 1.990 0.04 . 1 . . . . A 49 VAL HB . 31081 1
359 . 1 . 1 49 49 VAL HG11 H 1 0.899 0.04 . 2 . . . . A 49 VAL HG11 . 31081 1
360 . 1 . 1 49 49 VAL HG12 H 1 0.899 0.04 . 2 . . . . A 49 VAL HG12 . 31081 1
361 . 1 . 1 49 49 VAL HG13 H 1 0.899 0.04 . 2 . . . . A 49 VAL HG13 . 31081 1
362 . 1 . 1 49 49 VAL HG21 H 1 0.967 0.04 . 2 . . . . A 49 VAL HG21 . 31081 1
363 . 1 . 1 49 49 VAL HG22 H 1 0.967 0.04 . 2 . . . . A 49 VAL HG22 . 31081 1
364 . 1 . 1 49 49 VAL HG23 H 1 0.967 0.04 . 2 . . . . A 49 VAL HG23 . 31081 1
365 . 1 . 1 49 49 VAL C C 13 175.397 0.40 . 1 . . . . A 49 VAL C . 31081 1
366 . 1 . 1 49 49 VAL CA C 13 61.530 0.40 . 1 . . . . A 49 VAL CA . 31081 1
367 . 1 . 1 49 49 VAL CB C 13 33.422 0.40 . 1 . . . . A 49 VAL CB . 31081 1
368 . 1 . 1 49 49 VAL CG1 C 13 22.250 0.40 . 2 . . . . A 49 VAL CG1 . 31081 1
369 . 1 . 1 49 49 VAL CG2 C 13 21.300 0.40 . 2 . . . . A 49 VAL CG2 . 31081 1
370 . 1 . 1 49 49 VAL N N 15 127.496 0.40 . 1 . . . . A 49 VAL N . 31081 1
371 . 1 . 1 50 50 THR H H 1 9.189 0.04 . 1 . . . . A 50 THR H . 31081 1
372 . 1 . 1 50 50 THR HA H 1 4.590 0.04 . 1 . . . . A 50 THR HA . 31081 1
373 . 1 . 1 50 50 THR HB H 1 3.920 0.04 . 1 . . . . A 50 THR HB . 31081 1
374 . 1 . 1 50 50 THR HG21 H 1 1.015 0.04 . 1 . . . . A 50 THR HG21 . 31081 1
375 . 1 . 1 50 50 THR HG22 H 1 1.015 0.04 . 1 . . . . A 50 THR HG22 . 31081 1
376 . 1 . 1 50 50 THR HG23 H 1 1.015 0.04 . 1 . . . . A 50 THR HG23 . 31081 1
377 . 1 . 1 50 50 THR CA C 13 60.040 0.40 . 1 . . . . A 50 THR CA . 31081 1
378 . 1 . 1 50 50 THR CB C 13 71.935 0.40 . 1 . . . . A 50 THR CB . 31081 1
379 . 1 . 1 50 50 THR CG2 C 13 21.484 0.40 . 1 . . . . A 50 THR CG2 . 31081 1
380 . 1 . 1 50 50 THR N N 15 120.632 0.40 . 1 . . . . A 50 THR N . 31081 1
381 . 1 . 1 51 51 GLN HA H 1 3.805 0.04 . 1 . . . . A 51 GLN HA . 31081 1
382 . 1 . 1 51 51 GLN HB2 H 1 1.281 0.04 . 2 . . . . A 51 GLN HB2 . 31081 1
383 . 1 . 1 51 51 GLN HB3 H 1 1.281 0.04 . 2 . . . . A 51 GLN HB3 . 31081 1
384 . 1 . 1 51 51 GLN HG2 H 1 1.486 0.04 . 2 . . . . A 51 GLN HG2 . 31081 1
385 . 1 . 1 51 51 GLN HG3 H 1 1.486 0.04 . 2 . . . . A 51 GLN HG3 . 31081 1
386 . 1 . 1 51 51 GLN C C 13 174.946 0.40 . 1 . . . . A 51 GLN C . 31081 1
387 . 1 . 1 51 51 GLN CA C 13 55.148 0.40 . 1 . . . . A 51 GLN CA . 31081 1
388 . 1 . 1 51 51 GLN CB C 13 28.287 0.40 . 1 . . . . A 51 GLN CB . 31081 1
389 . 1 . 1 51 51 GLN CG C 13 33.209 0.40 . 1 . . . . A 51 GLN CG . 31081 1
390 . 1 . 1 52 52 ASN H H 1 8.388 0.04 . 1 . . . . A 52 ASN H . 31081 1
391 . 1 . 1 52 52 ASN HA H 1 4.614 0.04 . 1 . . . . A 52 ASN HA . 31081 1
392 . 1 . 1 52 52 ASN HB2 H 1 2.469 0.04 . 2 . . . . A 52 ASN HB2 . 31081 1
393 . 1 . 1 52 52 ASN HB3 H 1 2.202 0.04 . 2 . . . . A 52 ASN HB3 . 31081 1
394 . 1 . 1 52 52 ASN C C 13 174.843 0.40 . 1 . . . . A 52 ASN C . 31081 1
395 . 1 . 1 52 52 ASN CA C 13 51.182 0.40 . 1 . . . . A 52 ASN CA . 31081 1
396 . 1 . 1 52 52 ASN CB C 13 38.830 0.40 . 1 . . . . A 52 ASN CB . 31081 1
397 . 1 . 1 52 52 ASN N N 15 125.436 0.40 . 1 . . . . A 52 ASN N . 31081 1
398 . 1 . 1 53 53 GLY H H 1 8.622 0.04 . 1 . . . . A 53 GLY H . 31081 1
399 . 1 . 1 53 53 GLY HA2 H 1 3.962 0.04 . 2 . . . . A 53 GLY HA2 . 31081 1
400 . 1 . 1 53 53 GLY HA3 H 1 3.438 0.04 . 2 . . . . A 53 GLY HA3 . 31081 1
401 . 1 . 1 53 53 GLY C C 13 175.043 0.40 . 1 . . . . A 53 GLY C . 31081 1
402 . 1 . 1 53 53 GLY CA C 13 46.862 0.40 . 1 . . . . A 53 GLY CA . 31081 1
403 . 1 . 1 53 53 GLY N N 15 113.484 0.40 . 1 . . . . A 53 GLY N . 31081 1
404 . 1 . 1 54 54 THR H H 1 8.299 0.04 . 1 . . . . A 54 THR H . 31081 1
405 . 1 . 1 54 54 THR HA H 1 4.060 0.04 . 1 . . . . A 54 THR HA . 31081 1
406 . 1 . 1 54 54 THR HB H 1 4.170 0.04 . 1 . . . . A 54 THR HB . 31081 1
407 . 1 . 1 54 54 THR HG21 H 1 0.993 0.04 . 1 . . . . A 54 THR HG21 . 31081 1
408 . 1 . 1 54 54 THR HG22 H 1 0.993 0.04 . 1 . . . . A 54 THR HG22 . 31081 1
409 . 1 . 1 54 54 THR HG23 H 1 0.993 0.04 . 1 . . . . A 54 THR HG23 . 31081 1
410 . 1 . 1 54 54 THR CA C 13 62.272 0.40 . 1 . . . . A 54 THR CA . 31081 1
411 . 1 . 1 54 54 THR CB C 13 69.005 0.40 . 1 . . . . A 54 THR CB . 31081 1
412 . 1 . 1 54 54 THR CG2 C 13 21.396 0.40 . 1 . . . . A 54 THR CG2 . 31081 1
413 . 1 . 1 54 54 THR N N 15 118.205 0.40 . 1 . . . . A 54 THR N . 31081 1
414 . 1 . 1 55 55 TYR HA H 1 5.009 0.04 . 1 . . . . A 55 TYR HA . 31081 1
415 . 1 . 1 55 55 TYR HB2 H 1 2.949 0.04 . 2 . . . . A 55 TYR HB2 . 31081 1
416 . 1 . 1 55 55 TYR HB3 H 1 2.949 0.04 . 2 . . . . A 55 TYR HB3 . 31081 1
417 . 1 . 1 55 55 TYR HD1 H 1 6.977 0.04 . 3 . . . . A 55 TYR HD1 . 31081 1
418 . 1 . 1 55 55 TYR HD2 H 1 6.977 0.04 . 3 . . . . A 55 TYR HD2 . 31081 1
419 . 1 . 1 55 55 TYR HE1 H 1 6.662 0.04 . 3 . . . . A 55 TYR HE1 . 31081 1
420 . 1 . 1 55 55 TYR HE2 H 1 6.662 0.04 . 3 . . . . A 55 TYR HE2 . 31081 1
421 . 1 . 1 55 55 TYR C C 13 174.258 0.40 . 1 . . . . A 55 TYR C . 31081 1
422 . 1 . 1 55 55 TYR CA C 13 56.950 0.40 . 1 . . . . A 55 TYR CA . 31081 1
423 . 1 . 1 55 55 TYR CB C 13 40.710 0.40 . 1 . . . . A 55 TYR CB . 31081 1
424 . 1 . 1 55 55 TYR CD1 C 13 133.280 0.40 . 3 . . . . A 55 TYR CD1 . 31081 1
425 . 1 . 1 55 55 TYR CD2 C 13 133.280 0.40 . 3 . . . . A 55 TYR CD2 . 31081 1
426 . 1 . 1 55 55 TYR CE1 C 13 118.137 0.40 . 3 . . . . A 55 TYR CE1 . 31081 1
427 . 1 . 1 55 55 TYR CE2 C 13 118.137 0.40 . 3 . . . . A 55 TYR CE2 . 31081 1
428 . 1 . 1 56 56 TRP H H 1 9.148 0.04 . 1 . . . . A 56 TRP H . 31081 1
429 . 1 . 1 56 56 TRP HA H 1 4.499 0.04 . 1 . . . . A 56 TRP HA . 31081 1
430 . 1 . 1 56 56 TRP HB2 H 1 2.950 0.04 . 2 . . . . A 56 TRP HB2 . 31081 1
431 . 1 . 1 56 56 TRP HB3 H 1 2.890 0.04 . 2 . . . . A 56 TRP HB3 . 31081 1
432 . 1 . 1 56 56 TRP C C 13 175.172 0.40 . 1 . . . . A 56 TRP C . 31081 1
433 . 1 . 1 56 56 TRP CA C 13 57.175 0.40 . 1 . . . . A 56 TRP CA . 31081 1
434 . 1 . 1 56 56 TRP CB C 13 30.628 0.40 . 1 . . . . A 56 TRP CB . 31081 1
435 . 1 . 1 56 56 TRP N N 15 121.583 0.40 . 1 . . . . A 56 TRP N . 31081 1
436 . 1 . 1 57 57 GLU H H 1 9.535 0.04 . 1 . . . . A 57 GLU H . 31081 1
437 . 1 . 1 57 57 GLU HA H 1 5.578 0.04 . 1 . . . . A 57 GLU HA . 31081 1
438 . 1 . 1 57 57 GLU HB2 H 1 1.909 0.04 . 2 . . . . A 57 GLU HB2 . 31081 1
439 . 1 . 1 57 57 GLU HB3 H 1 1.839 0.04 . 2 . . . . A 57 GLU HB3 . 31081 1
440 . 1 . 1 57 57 GLU HG2 H 1 2.147 0.04 . 2 . . . . A 57 GLU HG2 . 31081 1
441 . 1 . 1 57 57 GLU HG3 H 1 2.000 0.04 . 2 . . . . A 57 GLU HG3 . 31081 1
442 . 1 . 1 57 57 GLU C C 13 175.172 0.40 . 1 . . . . A 57 GLU C . 31081 1
443 . 1 . 1 57 57 GLU CA C 13 54.593 0.40 . 1 . . . . A 57 GLU CA . 31081 1
444 . 1 . 1 57 57 GLU CB C 13 33.106 0.40 . 1 . . . . A 57 GLU CB . 31081 1
445 . 1 . 1 57 57 GLU CG C 13 37.954 0.40 . 1 . . . . A 57 GLU CG . 31081 1
446 . 1 . 1 57 57 GLU N N 15 122.966 0.40 . 1 . . . . A 57 GLU N . 31081 1
447 . 1 . 1 58 58 VAL H H 1 9.349 0.04 . 1 . . . . A 58 VAL H . 31081 1
448 . 1 . 1 58 58 VAL HA H 1 4.828 0.04 . 1 . . . . A 58 VAL HA . 31081 1
449 . 1 . 1 58 58 VAL HB H 1 2.308 0.04 . 1 . . . . A 58 VAL HB . 31081 1
450 . 1 . 1 58 58 VAL HG11 H 1 0.864 0.04 . 2 . . . . A 58 VAL HG11 . 31081 1
451 . 1 . 1 58 58 VAL HG12 H 1 0.864 0.04 . 2 . . . . A 58 VAL HG12 . 31081 1
452 . 1 . 1 58 58 VAL HG13 H 1 0.864 0.04 . 2 . . . . A 58 VAL HG13 . 31081 1
453 . 1 . 1 58 58 VAL HG21 H 1 1.188 0.04 . 2 . . . . A 58 VAL HG21 . 31081 1
454 . 1 . 1 58 58 VAL HG22 H 1 1.188 0.04 . 2 . . . . A 58 VAL HG22 . 31081 1
455 . 1 . 1 58 58 VAL HG23 H 1 1.188 0.04 . 2 . . . . A 58 VAL HG23 . 31081 1
456 . 1 . 1 58 58 VAL C C 13 174.664 0.40 . 1 . . . . A 58 VAL C . 31081 1
457 . 1 . 1 58 58 VAL CA C 13 61.191 0.40 . 1 . . . . A 58 VAL CA . 31081 1
458 . 1 . 1 58 58 VAL CB C 13 34.653 0.40 . 1 . . . . A 58 VAL CB . 31081 1
459 . 1 . 1 58 58 VAL CG1 C 13 20.961 0.40 . 2 . . . . A 58 VAL CG1 . 31081 1
460 . 1 . 1 58 58 VAL CG2 C 13 23.024 0.40 . 2 . . . . A 58 VAL CG2 . 31081 1
461 . 1 . 1 58 58 VAL N N 15 124.032 0.40 . 1 . . . . A 58 VAL N . 31081 1
462 . 1 . 1 59 59 GLU H H 1 9.087 0.04 . 1 . . . . A 59 GLU H . 31081 1
463 . 1 . 1 59 59 GLU HA H 1 4.934 0.04 . 1 . . . . A 59 GLU HA . 31081 1
464 . 1 . 1 59 59 GLU HB2 H 1 1.985 0.04 . 2 . . . . A 59 GLU HB2 . 31081 1
465 . 1 . 1 59 59 GLU HB3 H 1 1.901 0.04 . 2 . . . . A 59 GLU HB3 . 31081 1
466 . 1 . 1 59 59 GLU HG2 H 1 2.090 0.04 . 2 . . . . A 59 GLU HG2 . 31081 1
467 . 1 . 1 59 59 GLU HG3 H 1 1.897 0.04 . 2 . . . . A 59 GLU HG3 . 31081 1
468 . 1 . 1 59 59 GLU C C 13 174.972 0.40 . 1 . . . . A 59 GLU C . 31081 1
469 . 1 . 1 59 59 GLU CA C 13 54.891 0.40 . 1 . . . . A 59 GLU CA . 31081 1
470 . 1 . 1 59 59 GLU CB C 13 32.228 0.40 . 1 . . . . A 59 GLU CB . 31081 1
471 . 1 . 1 59 59 GLU CG C 13 37.123 0.40 . 1 . . . . A 59 GLU CG . 31081 1
472 . 1 . 1 59 59 GLU N N 15 128.543 0.40 . 1 . . . . A 59 GLU N . 31081 1
473 . 1 . 1 60 60 VAL H H 1 8.710 0.04 . 1 . . . . A 60 VAL H . 31081 1
474 . 1 . 1 60 60 VAL HA H 1 4.570 0.04 . 1 . . . . A 60 VAL HA . 31081 1
475 . 1 . 1 60 60 VAL HB H 1 1.382 0.04 . 1 . . . . A 60 VAL HB . 31081 1
476 . 1 . 1 60 60 VAL HG11 H 1 0.033 0.04 . 2 . . . . A 60 VAL HG11 . 31081 1
477 . 1 . 1 60 60 VAL HG12 H 1 0.033 0.04 . 2 . . . . A 60 VAL HG12 . 31081 1
478 . 1 . 1 60 60 VAL HG13 H 1 0.033 0.04 . 2 . . . . A 60 VAL HG13 . 31081 1
479 . 1 . 1 60 60 VAL HG21 H 1 0.027 0.04 . 2 . . . . A 60 VAL HG21 . 31081 1
480 . 1 . 1 60 60 VAL HG22 H 1 0.027 0.04 . 2 . . . . A 60 VAL HG22 . 31081 1
481 . 1 . 1 60 60 VAL HG23 H 1 0.027 0.04 . 2 . . . . A 60 VAL HG23 . 31081 1
482 . 1 . 1 60 60 VAL C C 13 174.699 0.40 . 1 . . . . A 60 VAL C . 31081 1
483 . 1 . 1 60 60 VAL CA C 13 61.541 0.40 . 1 . . . . A 60 VAL CA . 31081 1
484 . 1 . 1 60 60 VAL CB C 13 33.557 0.40 . 1 . . . . A 60 VAL CB . 31081 1
485 . 1 . 1 60 60 VAL CG1 C 13 21.624 0.40 . 2 . . . . A 60 VAL CG1 . 31081 1
486 . 1 . 1 60 60 VAL CG2 C 13 20.604 0.40 . 2 . . . . A 60 VAL CG2 . 31081 1
487 . 1 . 1 60 60 VAL N N 15 126.471 0.40 . 1 . . . . A 60 VAL N . 31081 1
488 . 1 . 1 61 61 ARG H H 1 8.885 0.04 . 1 . . . . A 61 ARG H . 31081 1
489 . 1 . 1 61 61 ARG HA H 1 4.474 0.04 . 1 . . . . A 61 ARG HA . 31081 1
490 . 1 . 1 61 61 ARG HB2 H 1 1.809 0.04 . 2 . . . . A 61 ARG HB2 . 31081 1
491 . 1 . 1 61 61 ARG HB3 H 1 1.693 0.04 . 2 . . . . A 61 ARG HB3 . 31081 1
492 . 1 . 1 61 61 ARG HG2 H 1 1.576 0.04 . 2 . . . . A 61 ARG HG2 . 31081 1
493 . 1 . 1 61 61 ARG HG3 H 1 1.468 0.04 . 2 . . . . A 61 ARG HG3 . 31081 1
494 . 1 . 1 61 61 ARG HD2 H 1 3.043 0.04 . 2 . . . . A 61 ARG HD2 . 31081 1
495 . 1 . 1 61 61 ARG HD3 H 1 3.006 0.04 . 2 . . . . A 61 ARG HD3 . 31081 1
496 . 1 . 1 61 61 ARG CA C 13 57.457 0.40 . 1 . . . . A 61 ARG CA . 31081 1
497 . 1 . 1 61 61 ARG CB C 13 33.567 0.40 . 1 . . . . A 61 ARG CB . 31081 1
498 . 1 . 1 61 61 ARG CG C 13 27.559 0.40 . 1 . . . . A 61 ARG CG . 31081 1
499 . 1 . 1 61 61 ARG CD C 13 43.765 0.40 . 1 . . . . A 61 ARG CD . 31081 1
500 . 1 . 1 61 61 ARG N N 15 131.579 0.40 . 1 . . . . A 61 ARG N . 31081 1
stop_
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