Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 16808
_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 $chemical_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 '2D 1H-15N HSQC' . . . 16808 1
2 '2D 1H-13C HSQC' . . . 16808 1
4 '3D HNCO' . . . 16808 1
17 '2D 1H-13C HSQC high res. (L/V methyl stereospecific assignment)' . . . 16808 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
8 $SPARKY . . 16808 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 12 12 LYS HA H 1 4.188 0.03 . 1 . . . . . 62 Lys HA . 16808 1
2 . 1 . 1 12 12 LYS HB2 H 1 1.528 0.03 . 2 . . . . . 62 Lys HB2 . 16808 1
3 . 1 . 1 12 12 LYS HB3 H 1 1.728 0.03 . 2 . . . . . 62 Lys HB3 . 16808 1
4 . 1 . 1 12 12 LYS HD2 H 1 1.473 0.03 . 2 . . . . . 62 Lys HD2 . 16808 1
5 . 1 . 1 12 12 LYS HD3 H 1 1.638 0.03 . 2 . . . . . 62 Lys HD3 . 16808 1
6 . 1 . 1 12 12 LYS HE2 H 1 2.856 0.03 . 2 . . . . . 62 Lys HE2 . 16808 1
7 . 1 . 1 12 12 LYS HE3 H 1 2.856 0.03 . 2 . . . . . 62 Lys HE3 . 16808 1
8 . 1 . 1 12 12 LYS HG2 H 1 1.373 0.03 . 2 . . . . . 62 Lys HG2 . 16808 1
9 . 1 . 1 12 12 LYS HG3 H 1 1.355 0.03 . 2 . . . . . 62 Lys HG3 . 16808 1
10 . 1 . 1 12 12 LYS C C 13 178.364 0.30 . 1 . . . . . 62 Lys C . 16808 1
11 . 1 . 1 12 12 LYS CA C 13 58.767 0.30 . 1 . . . . . 62 Lys CA . 16808 1
12 . 1 . 1 12 12 LYS CB C 13 32.033 0.30 . 1 . . . . . 62 Lys CB . 16808 1
13 . 1 . 1 12 12 LYS CD C 13 28.792 0.30 . 1 . . . . . 62 Lys CD . 16808 1
14 . 1 . 1 12 12 LYS CE C 13 42.041 0.30 . 1 . . . . . 62 Lys CE . 16808 1
15 . 1 . 1 12 12 LYS CG C 13 25.000 0.30 . 1 . . . . . 62 Lys CG . 16808 1
16 . 1 . 1 13 13 TYR H H 1 7.873 0.03 . 1 . . . . . 63 Tyr H . 16808 1
17 . 1 . 1 13 13 TYR HA H 1 4.252 0.03 . 1 . . . . . 63 Tyr HA . 16808 1
18 . 1 . 1 13 13 TYR HB2 H 1 3.000 0.03 . 2 . . . . . 63 Tyr HB2 . 16808 1
19 . 1 . 1 13 13 TYR HB3 H 1 3.000 0.03 . 2 . . . . . 63 Tyr HB3 . 16808 1
20 . 1 . 1 13 13 TYR HD1 H 1 7.062 0.03 . 3 . . . . . 63 Tyr HD1 . 16808 1
21 . 1 . 1 13 13 TYR HD2 H 1 7.062 0.03 . 3 . . . . . 63 Tyr HD2 . 16808 1
22 . 1 . 1 13 13 TYR HE1 H 1 6.789 0.03 . 3 . . . . . 63 Tyr HE1 . 16808 1
23 . 1 . 1 13 13 TYR HE2 H 1 6.789 0.03 . 3 . . . . . 63 Tyr HE2 . 16808 1
24 . 1 . 1 13 13 TYR C C 13 177.566 0.30 . 1 . . . . . 63 Tyr C . 16808 1
25 . 1 . 1 13 13 TYR CA C 13 60.967 0.30 . 1 . . . . . 63 Tyr CA . 16808 1
26 . 1 . 1 13 13 TYR CB C 13 37.870 0.30 . 1 . . . . . 63 Tyr CB . 16808 1
27 . 1 . 1 13 13 TYR CD1 C 13 132.131 0.30 . 3 . . . . . 63 Tyr CD1 . 16808 1
28 . 1 . 1 13 13 TYR CD2 C 13 132.131 0.30 . 3 . . . . . 63 Tyr CD2 . 16808 1
29 . 1 . 1 13 13 TYR CE1 C 13 118.745 0.30 . 3 . . . . . 63 Tyr CE1 . 16808 1
30 . 1 . 1 13 13 TYR CE2 C 13 118.745 0.30 . 3 . . . . . 63 Tyr CE2 . 16808 1
31 . 1 . 1 13 13 TYR N N 15 117.647 0.30 . 1 . . . . . 63 Tyr N . 16808 1
32 . 1 . 1 14 14 ALA H H 1 7.958 0.03 . 1 . . . . . 64 Ala H . 16808 1
33 . 1 . 1 14 14 ALA HA H 1 4.072 0.03 . 1 . . . . . 64 Ala HA . 16808 1
34 . 1 . 1 14 14 ALA HB1 H 1 1.540 0.03 . 1 . . . . . 64 Ala HB . 16808 1
35 . 1 . 1 14 14 ALA HB2 H 1 1.540 0.03 . 1 . . . . . 64 Ala HB . 16808 1
36 . 1 . 1 14 14 ALA HB3 H 1 1.540 0.03 . 1 . . . . . 64 Ala HB . 16808 1
37 . 1 . 1 14 14 ALA C C 13 180.871 0.30 . 1 . . . . . 64 Ala C . 16808 1
38 . 1 . 1 14 14 ALA CA C 13 55.412 0.30 . 1 . . . . . 64 Ala CA . 16808 1
39 . 1 . 1 14 14 ALA CB C 13 18.056 0.30 . 1 . . . . . 64 Ala CB . 16808 1
40 . 1 . 1 14 14 ALA N N 15 121.127 0.30 . 1 . . . . . 64 Ala N . 16808 1
41 . 1 . 1 15 15 GLU H H 1 8.058 0.03 . 1 . . . . . 65 Glu H . 16808 1
42 . 1 . 1 15 15 GLU HA H 1 4.002 0.03 . 1 . . . . . 65 Glu HA . 16808 1
43 . 1 . 1 15 15 GLU HB2 H 1 2.129 0.03 . 2 . . . . . 65 Glu HB2 . 16808 1
44 . 1 . 1 15 15 GLU HB3 H 1 2.087 0.03 . 2 . . . . . 65 Glu HB3 . 16808 1
45 . 1 . 1 15 15 GLU HG2 H 1 2.401 0.03 . 2 . . . . . 65 Glu HG2 . 16808 1
46 . 1 . 1 15 15 GLU HG3 H 1 2.133 0.03 . 2 . . . . . 65 Glu HG3 . 16808 1
47 . 1 . 1 15 15 GLU C C 13 178.678 0.30 . 1 . . . . . 65 Glu C . 16808 1
48 . 1 . 1 15 15 GLU CA C 13 59.637 0.30 . 1 . . . . . 65 Glu CA . 16808 1
49 . 1 . 1 15 15 GLU CB C 13 29.740 0.30 . 1 . . . . . 65 Glu CB . 16808 1
50 . 1 . 1 15 15 GLU CG C 13 36.419 0.30 . 1 . . . . . 65 Glu CG . 16808 1
51 . 1 . 1 15 15 GLU N N 15 120.895 0.30 . 1 . . . . . 65 Glu N . 16808 1
52 . 1 . 1 16 16 LEU H H 1 8.222 0.03 . 1 . . . . . 66 Leu H . 16808 1
53 . 1 . 1 16 16 LEU HA H 1 3.991 0.03 . 1 . . . . . 66 Leu HA . 16808 1
54 . 1 . 1 16 16 LEU HB2 H 1 1.883 0.03 . 2 . . . . . 66 Leu HB2 . 16808 1
55 . 1 . 1 16 16 LEU HB3 H 1 1.760 0.03 . 2 . . . . . 66 Leu HB3 . 16808 1
56 . 1 . 1 16 16 LEU HG H 1 1.676 0.03 . 1 . . . . . 66 Leu HG . 16808 1
57 . 1 . 1 16 16 LEU HD11 H 1 0.950 0.03 . 1 . . . . . 66 Leu HD1 . 16808 1
58 . 1 . 1 16 16 LEU HD12 H 1 0.950 0.03 . 1 . . . . . 66 Leu HD1 . 16808 1
59 . 1 . 1 16 16 LEU HD13 H 1 0.950 0.03 . 1 . . . . . 66 Leu HD1 . 16808 1
60 . 1 . 1 16 16 LEU HD21 H 1 0.947 0.03 . 1 . . . . . 66 Leu HD2 . 16808 1
61 . 1 . 1 16 16 LEU HD22 H 1 0.947 0.03 . 1 . . . . . 66 Leu HD2 . 16808 1
62 . 1 . 1 16 16 LEU HD23 H 1 0.947 0.03 . 1 . . . . . 66 Leu HD2 . 16808 1
63 . 1 . 1 16 16 LEU C C 13 178.013 0.30 . 1 . . . . . 66 Leu C . 16808 1
64 . 1 . 1 16 16 LEU CA C 13 57.948 0.30 . 1 . . . . . 66 Leu CA . 16808 1
65 . 1 . 1 16 16 LEU CB C 13 42.072 0.30 . 1 . . . . . 66 Leu CG . 16808 1
66 . 1 . 1 16 16 LEU CG C 13 26.922 0.30 . 1 . . . . . 66 Leu CG . 16808 1
67 . 1 . 1 16 16 LEU CD1 C 13 23.805 0.30 . 1 . . . . . 66 Leu CD1 . 16808 1
68 . 1 . 1 16 16 LEU CD2 C 13 26.832 0.30 . 1 . . . . . 66 Leu CD2 . 16808 1
69 . 1 . 1 16 16 LEU N N 15 120.253 0.30 . 1 . . . . . 66 Leu N . 16808 1
70 . 1 . 1 17 17 LEU H H 1 8.351 0.03 . 1 . . . . . 67 Leu H . 16808 1
71 . 1 . 1 17 17 LEU HA H 1 3.946 0.03 . 1 . . . . . 67 Leu HA . 16808 1
72 . 1 . 1 17 17 LEU HB2 H 1 1.825 0.03 . 2 . . . . . 67 Leu HB2 . 16808 1
73 . 1 . 1 17 17 LEU HB3 H 1 1.652 0.03 . 2 . . . . . 67 Leu HB3 . 16808 1
74 . 1 . 1 17 17 LEU HD11 H 1 0.913 0.03 . 1 . . . . . 67 Leu HD1 . 16808 1
75 . 1 . 1 17 17 LEU HD12 H 1 0.913 0.03 . 1 . . . . . 67 Leu HD1 . 16808 1
76 . 1 . 1 17 17 LEU HD13 H 1 0.913 0.03 . 1 . . . . . 67 Leu HD1 . 16808 1
77 . 1 . 1 17 17 LEU HD21 H 1 0.899 0.03 . 1 . . . . . 67 Leu HD2 . 16808 1
78 . 1 . 1 17 17 LEU HD22 H 1 0.899 0.03 . 1 . . . . . 67 Leu HD2 . 16808 1
79 . 1 . 1 17 17 LEU HD23 H 1 0.899 0.03 . 1 . . . . . 67 Leu HD2 . 16808 1
80 . 1 . 1 17 17 LEU HG H 1 1.710 0.03 . 1 . . . . . 67 Leu HG . 16808 1
81 . 1 . 1 17 17 LEU C C 13 178.091 0.30 . 1 . . . . . 67 Leu C . 16808 1
82 . 1 . 1 17 17 LEU CA C 13 58.555 0.30 . 1 . . . . . 67 Leu CA . 16808 1
83 . 1 . 1 17 17 LEU CB C 13 41.522 0.30 . 1 . . . . . 67 Leu CB . 16808 1
84 . 1 . 1 17 17 LEU CD1 C 13 24.457 0.30 . 1 . . . . . 67 Leu CD1 . 16808 1
85 . 1 . 1 17 17 LEU CD2 C 13 25.414 0.30 . 1 . . . . . 67 Leu CD2 . 16808 1
86 . 1 . 1 17 17 LEU CG C 13 26.895 0.30 . 1 . . . . . 67 Leu CG . 16808 1
87 . 1 . 1 17 17 LEU N N 15 119.123 0.30 . 1 . . . . . 67 Leu N . 16808 1
88 . 1 . 1 18 18 ALA H H 1 7.649 0.03 . 1 . . . . . 68 Ala H . 16808 1
89 . 1 . 1 18 18 ALA HA H 1 4.162 0.03 . 1 . . . . . 68 Ala HA . 16808 1
90 . 1 . 1 18 18 ALA HB1 H 1 1.490 0.03 . 1 . . . . . 68 Ala HB . 16808 1
91 . 1 . 1 18 18 ALA HB2 H 1 1.490 0.03 . 1 . . . . . 68 Ala HB . 16808 1
92 . 1 . 1 18 18 ALA HB3 H 1 1.490 0.03 . 1 . . . . . 68 Ala HB . 16808 1
93 . 1 . 1 18 18 ALA C C 13 180.998 0.30 . 1 . . . . . 68 Ala C . 16808 1
94 . 1 . 1 18 18 ALA CA C 13 55.410 0.30 . 1 . . . . . 68 Ala CA . 16808 1
95 . 1 . 1 18 18 ALA CB C 13 17.745 0.30 . 1 . . . . . 68 Ala CB . 16808 1
96 . 1 . 1 18 18 ALA N N 15 120.015 0.30 . 1 . . . . . 68 Ala N . 16808 1
97 . 1 . 1 19 19 ILE H H 1 8.101 0.03 . 1 . . . . . 69 Ile H . 16808 1
98 . 1 . 1 19 19 ILE HA H 1 3.898 0.03 . 1 . . . . . 69 Ile HA . 16808 1
99 . 1 . 1 19 19 ILE HB H 1 1.990 0.03 . 1 . . . . . 69 Ile HB . 16808 1
100 . 1 . 1 19 19 ILE HD11 H 1 0.635 0.03 . 1 . . . . . 69 Ile HD1 . 16808 1
101 . 1 . 1 19 19 ILE HD12 H 1 0.635 0.03 . 1 . . . . . 69 Ile HD1 . 16808 1
102 . 1 . 1 19 19 ILE HD13 H 1 0.635 0.03 . 1 . . . . . 69 Ile HD1 . 16808 1
103 . 1 . 1 19 19 ILE HG12 H 1 1.213 0.03 . 2 . . . . . 69 Ile HG12 . 16808 1
104 . 1 . 1 19 19 ILE HG13 H 1 1.634 0.03 . 2 . . . . . 69 Ile HG13 . 16808 1
105 . 1 . 1 19 19 ILE HG21 H 1 0.960 0.03 . 1 . . . . . 69 Ile HG2 . 16808 1
106 . 1 . 1 19 19 ILE HG22 H 1 0.960 0.03 . 1 . . . . . 69 Ile HG2 . 16808 1
107 . 1 . 1 19 19 ILE HG23 H 1 0.960 0.03 . 1 . . . . . 69 Ile HG2 . 16808 1
108 . 1 . 1 19 19 ILE C C 13 178.255 0.30 . 1 . . . . . 69 Ile C . 16808 1
109 . 1 . 1 19 19 ILE CA C 13 64.301 0.30 . 1 . . . . . 69 Ile CA . 16808 1
110 . 1 . 1 19 19 ILE CB C 13 38.149 0.30 . 1 . . . . . 69 Ile CB . 16808 1
111 . 1 . 1 19 19 ILE CD1 C 13 13.704 0.30 . 1 . . . . . 69 Ile CD1 . 16808 1
112 . 1 . 1 19 19 ILE CG1 C 13 28.908 0.30 . 1 . . . . . 69 Ile CG1 . 16808 1
113 . 1 . 1 19 19 ILE CG2 C 13 17.780 0.30 . 1 . . . . . 69 Ile CG2 . 16808 1
114 . 1 . 1 19 19 ILE N N 15 119.130 0.30 . 1 . . . . . 69 Ile N . 16808 1
115 . 1 . 1 20 20 ILE H H 1 8.316 0.03 . 1 . . . . . 70 Ile H . 16808 1
116 . 1 . 1 20 20 ILE HA H 1 3.565 0.03 . 1 . . . . . 70 Ile HA . 16808 1
117 . 1 . 1 20 20 ILE HB H 1 2.074 0.03 . 1 . . . . . 70 Ile HB . 16808 1
118 . 1 . 1 20 20 ILE HD11 H 1 0.709 0.03 . 1 . . . . . 70 Ile HD1 . 16808 1
119 . 1 . 1 20 20 ILE HD12 H 1 0.709 0.03 . 1 . . . . . 70 Ile HD1 . 16808 1
120 . 1 . 1 20 20 ILE HD13 H 1 0.709 0.03 . 1 . . . . . 70 Ile HD1 . 16808 1
121 . 1 . 1 20 20 ILE HG12 H 1 1.696 0.03 . 2 . . . . . 70 Ile HG12 . 16808 1
122 . 1 . 1 20 20 ILE HG13 H 1 1.114 0.03 . 2 . . . . . 70 Ile HG13 . 16808 1
123 . 1 . 1 20 20 ILE HG21 H 1 0.912 0.03 . 1 . . . . . 70 Ile HG2 . 16808 1
124 . 1 . 1 20 20 ILE HG22 H 1 0.912 0.03 . 1 . . . . . 70 Ile HG2 . 16808 1
125 . 1 . 1 20 20 ILE HG23 H 1 0.912 0.03 . 1 . . . . . 70 Ile HG2 . 16808 1
126 . 1 . 1 20 20 ILE C C 13 178.031 0.30 . 1 . . . . . 70 Ile C . 16808 1
127 . 1 . 1 20 20 ILE CA C 13 65.111 0.30 . 1 . . . . . 70 Ile CA . 16808 1
128 . 1 . 1 20 20 ILE CB C 13 37.049 0.30 . 1 . . . . . 70 Ile CB . 16808 1
129 . 1 . 1 20 20 ILE CD1 C 13 12.796 0.30 . 1 . . . . . 70 Ile CD1 . 16808 1
130 . 1 . 1 20 20 ILE CG1 C 13 29.688 0.30 . 1 . . . . . 70 Ile CG1 . 16808 1
131 . 1 . 1 20 20 ILE CG2 C 13 18.276 0.30 . 1 . . . . . 70 Ile CG2 . 16808 1
132 . 1 . 1 20 20 ILE N N 15 120.575 0.30 . 1 . . . . . 70 Ile N . 16808 1
133 . 1 . 1 21 21 GLU H H 1 8.300 0.03 . 1 . . . . . 71 Glu H . 16808 1
134 . 1 . 1 21 21 GLU HA H 1 4.129 0.03 . 1 . . . . . 71 Glu HA . 16808 1
135 . 1 . 1 21 21 GLU C C 13 179.749 0.30 . 1 . . . . . 71 Glu C . 16808 1
136 . 1 . 1 21 21 GLU CA C 13 59.339 0.30 . 1 . . . . . 71 Glu CA . 16808 1
137 . 1 . 1 21 21 GLU CB C 13 29.346 0.30 . 1 . . . . . 71 Glu CB . 16808 1
138 . 1 . 1 21 21 GLU N N 15 118.628 0.30 . 1 . . . . . 71 Glu N . 16808 1
139 . 1 . 1 22 22 GLU H H 1 7.820 0.03 . 1 . . . . . 72 Glu H . 16808 1
140 . 1 . 1 22 22 GLU HA H 1 4.135 0.03 . 1 . . . . . 72 Glu HA . 16808 1
141 . 1 . 1 22 22 GLU C C 13 179.065 0.30 . 1 . . . . . 72 Glu C . 16808 1
142 . 1 . 1 22 22 GLU N N 15 119.637 0.30 . 1 . . . . . 72 Glu N . 16808 1
143 . 1 . 1 22 22 GLU HB2 H 1 2.195 0.03 . 2 . . . . . 72 Glu HB2 . 16808 1
144 . 1 . 1 22 22 GLU HB3 H 1 2.089 0.03 . 2 . . . . . 72 Glu HB3 . 16808 1
145 . 1 . 1 22 22 GLU HG2 H 1 2.453 0.03 . 2 . . . . . 72 Glu HG2 . 16808 1
146 . 1 . 1 22 22 GLU HG3 H 1 2.394 0.03 . 2 . . . . . 72 Glu HG3 . 16808 1
147 . 1 . 1 22 22 GLU CA C 13 59.114 0.30 . 1 . . . . . 72 Glu CA . 16808 1
148 . 1 . 1 22 22 GLU CB C 13 29.400 0.30 . 1 . . . . . 72 Glu CB . 16808 1
149 . 1 . 1 22 22 GLU CG C 13 36.170 0.30 . 1 . . . . . 72 Glu CG . 16808 1
150 . 1 . 1 23 23 LEU H H 1 8.307 0.03 . 1 . . . . . 73 Leu H . 16808 1
151 . 1 . 1 23 23 LEU HA H 1 4.044 0.03 . 1 . . . . . 73 Leu HA . 16808 1
152 . 1 . 1 23 23 LEU HB2 H 1 2.087 0.03 . 2 . . . . . 73 Leu HB2 . 16808 1
153 . 1 . 1 23 23 LEU HB3 H 1 1.252 0.03 . 2 . . . . . 73 Leu HB3 . 16808 1
154 . 1 . 1 23 23 LEU HD11 H 1 0.724 0.03 . 1 . . . . . 73 Leu HD1 . 16808 1
155 . 1 . 1 23 23 LEU HD12 H 1 0.724 0.03 . 1 . . . . . 73 Leu HD1 . 16808 1
156 . 1 . 1 23 23 LEU HD13 H 1 0.724 0.03 . 1 . . . . . 73 Leu HD1 . 16808 1
157 . 1 . 1 23 23 LEU HD21 H 1 0.931 0.03 . 1 . . . . . 73 Leu HD2 . 16808 1
158 . 1 . 1 23 23 LEU HD22 H 1 0.931 0.03 . 1 . . . . . 73 Leu HD2 . 16808 1
159 . 1 . 1 23 23 LEU HD23 H 1 0.931 0.03 . 1 . . . . . 73 Leu HD2 . 16808 1
160 . 1 . 1 23 23 LEU HG H 1 2.347 0.03 . 1 . . . . . 73 Leu HG . 16808 1
161 . 1 . 1 23 23 LEU C C 13 179.972 0.30 . 1 . . . . . 73 Leu C . 16808 1
162 . 1 . 1 23 23 LEU CA C 13 57.979 0.30 . 1 . . . . . 73 Leu CA . 16808 1
163 . 1 . 1 23 23 LEU CB C 13 41.743 0.30 . 1 . . . . . 73 Leu CB . 16808 1
164 . 1 . 1 23 23 LEU CD1 C 13 25.613 0.30 . 1 . . . . . 73 Leu CD1 . 16808 1
165 . 1 . 1 23 23 LEU CD2 C 13 23.337 0.30 . 1 . . . . . 73 Leu CD2 . 16808 1
166 . 1 . 1 23 23 LEU CG C 13 25.596 0.30 . 1 . . . . . 73 Leu CG . 16808 1
167 . 1 . 1 23 23 LEU N N 15 118.049 0.30 . 1 . . . . . 73 Leu N . 16808 1
168 . 1 . 1 24 24 GLY H H 1 7.979 0.03 . 1 . . . . . 74 Gly H . 16808 1
169 . 1 . 1 24 24 GLY HA2 H 1 4.051 0.03 . 2 . . . . . 74 Gly HA2 . 16808 1
170 . 1 . 1 24 24 GLY HA3 H 1 3.730 0.03 . 2 . . . . . 74 Gly HA3 . 16808 1
171 . 1 . 1 24 24 GLY C C 13 176.663 0.30 . 1 . . . . . 74 Gly C . 16808 1
172 . 1 . 1 24 24 GLY CA C 13 47.316 0.30 . 1 . . . . . 74 Gly CA . 16808 1
173 . 1 . 1 24 24 GLY N N 15 102.237 0.30 . 1 . . . . . 74 Gly N . 16808 1
174 . 1 . 1 25 25 LYS H H 1 7.693 0.03 . 1 . . . . . 75 Lys H . 16808 1
175 . 1 . 1 25 25 LYS HA H 1 4.230 0.03 . 1 . . . . . 75 Lys HA . 16808 1
176 . 1 . 1 25 25 LYS HB2 H 1 2.039 0.03 . 2 . . . . . 75 Lys HB2 . 16808 1
177 . 1 . 1 25 25 LYS HB3 H 1 1.954 0.03 . 2 . . . . . 75 Lys HB3 . 16808 1
178 . 1 . 1 25 25 LYS HE2 H 1 3.027 0.03 . 2 . . . . . 75 Lys HE2 . 16808 1
179 . 1 . 1 25 25 LYS HE3 H 1 2.964 0.03 . 2 . . . . . 75 Lys HE3 . 16808 1
180 . 1 . 1 25 25 LYS HG2 H 1 1.566 0.03 . 2 . . . . . 75 Lys HG2 . 16808 1
181 . 1 . 1 25 25 LYS HG3 H 1 1.566 0.03 . 2 . . . . . 75 Lys HG3 . 16808 1
182 . 1 . 1 25 25 LYS HD2 H 1 1.736 0.03 . 2 . . . . . 75 Lys HD2 . 16808 1
183 . 1 . 1 25 25 LYS HD3 H 1 1.736 0.03 . 2 . . . . . 75 Lys HD3 . 16808 1
184 . 1 . 1 25 25 LYS C C 13 177.405 0.30 . 1 . . . . . 75 Lys C . 16808 1
185 . 1 . 1 25 25 LYS CA C 13 58.491 0.30 . 1 . . . . . 75 Lys CA . 16808 1
186 . 1 . 1 25 25 LYS CB C 13 32.538 0.30 . 1 . . . . . 75 Lys CB . 16808 1
187 . 1 . 1 25 25 LYS CE C 13 42.177 0.30 . 1 . . . . . 75 Lys CE . 16808 1
188 . 1 . 1 25 25 LYS CG C 13 24.925 0.30 . 1 . . . . . 75 Lys CG . 16808 1
189 . 1 . 1 25 25 LYS CD C 13 29.580 0.30 . 1 . . . . . 75 Lys CD . 16808 1
190 . 1 . 1 25 25 LYS N N 15 119.650 0.30 . 1 . . . . . 75 Lys N . 16808 1
191 . 1 . 1 26 26 GLU H H 1 7.658 0.03 . 1 . . . . . 76 Glu H . 16808 1
192 . 1 . 1 26 26 GLU HA H 1 5.175 0.03 . 1 . . . . . 76 Glu HA . 16808 1
193 . 1 . 1 26 26 GLU HB2 H 1 2.401 0.03 . 2 . . . . . 76 Glu HB2 . 16808 1
194 . 1 . 1 26 26 GLU HB3 H 1 1.802 0.03 . 2 . . . . . 76 Glu HB3 . 16808 1
195 . 1 . 1 26 26 GLU HG2 H 1 2.608 0.03 . 2 . . . . . 76 Glu HG2 . 16808 1
196 . 1 . 1 26 26 GLU HG3 H 1 2.104 0.03 . 2 . . . . . 76 Glu HG3 . 16808 1
197 . 1 . 1 26 26 GLU C C 13 179.332 0.30 . 1 . . . . . 76 Glu C . 16808 1
198 . 1 . 1 26 26 GLU CA C 13 54.792 0.30 . 1 . . . . . 76 Glu CA . 16808 1
199 . 1 . 1 26 26 GLU CB C 13 29.889 0.30 . 1 . . . . . 76 Glu CB . 16808 1
200 . 1 . 1 26 26 GLU CG C 13 32.845 0.30 . 1 . . . . . 76 Glu CG . 16808 1
201 . 1 . 1 26 26 GLU N N 15 113.842 0.30 . 1 . . . . . 76 Glu N . 16808 1
202 . 1 . 1 27 27 ILE H H 1 7.441 0.03 . 1 . . . . . 77 Ile H . 16808 1
203 . 1 . 1 27 27 ILE HA H 1 3.436 0.03 . 1 . . . . . 77 Ile HA . 16808 1
204 . 1 . 1 27 27 ILE HB H 1 1.940 0.03 . 1 . . . . . 77 Ile HB . 16808 1
205 . 1 . 1 27 27 ILE HD11 H 1 0.970 0.03 . 1 . . . . . 77 Ile HD1 . 16808 1
206 . 1 . 1 27 27 ILE HD12 H 1 0.970 0.03 . 1 . . . . . 77 Ile HD1 . 16808 1
207 . 1 . 1 27 27 ILE HD13 H 1 0.970 0.03 . 1 . . . . . 77 Ile HD1 . 16808 1
208 . 1 . 1 27 27 ILE HG12 H 1 2.048 0.03 . 2 . . . . . 77 Ile HG12 . 16808 1
209 . 1 . 1 27 27 ILE HG13 H 1 0.939 0.03 . 2 . . . . . 77 Ile HG13 . 16808 1
210 . 1 . 1 27 27 ILE HG21 H 1 0.893 0.03 . 1 . . . . . 77 Ile HG2 . 16808 1
211 . 1 . 1 27 27 ILE HG22 H 1 0.893 0.03 . 1 . . . . . 77 Ile HG2 . 16808 1
212 . 1 . 1 27 27 ILE HG23 H 1 0.893 0.03 . 1 . . . . . 77 Ile HG2 . 16808 1
213 . 1 . 1 27 27 ILE C C 13 175.991 0.30 . 1 . . . . . 77 Ile C . 16808 1
214 . 1 . 1 27 27 ILE CA C 13 67.327 0.30 . 1 . . . . . 77 Ile CA . 16808 1
215 . 1 . 1 27 27 ILE CB C 13 37.983 0.30 . 1 . . . . . 77 Ile CB . 16808 1
216 . 1 . 1 27 27 ILE CD1 C 13 14.432 0.30 . 1 . . . . . 77 Ile CD1 . 16808 1
217 . 1 . 1 27 27 ILE CG1 C 13 28.128 0.30 . 1 . . . . . 77 Ile CG1 . 16808 1
218 . 1 . 1 27 27 ILE CG2 C 13 17.651 0.30 . 1 . . . . . 77 Ile CG2 . 16808 1
219 . 1 . 1 27 27 ILE N N 15 121.725 0.30 . 1 . . . . . 77 Ile N . 16808 1
220 . 1 . 1 28 28 ARG H H 1 8.940 0.03 . 1 . . . . . 78 Arg H . 16808 1
221 . 1 . 1 28 28 ARG HA H 1 4.320 0.03 . 1 . . . . . 78 Arg HA . 16808 1
222 . 1 . 1 28 28 ARG HB2 H 1 2.013 0.03 . 2 . . . . . 78 Arg HB2 . 16808 1
223 . 1 . 1 28 28 ARG HB3 H 1 1.955 0.03 . 2 . . . . . 78 Arg HB3 . 16808 1
224 . 1 . 1 28 28 ARG HD2 H 1 3.313 0.03 . 2 . . . . . 78 Arg HD2 . 16808 1
225 . 1 . 1 28 28 ARG HD3 H 1 3.284 0.03 . 2 . . . . . 78 Arg HD3 . 16808 1
226 . 1 . 1 28 28 ARG HG2 H 1 1.833 0.03 . 2 . . . . . 78 Arg HG2 . 16808 1
227 . 1 . 1 28 28 ARG HG3 H 1 1.707 0.03 . 2 . . . . . 78 Arg HG3 . 16808 1
228 . 1 . 1 28 28 ARG C C 13 176.735 0.30 . 1 . . . . . 78 Arg C . 16808 1
229 . 1 . 1 28 28 ARG CA C 13 61.505 0.30 . 1 . . . . . 78 Arg CA . 16808 1
230 . 1 . 1 28 28 ARG CB C 13 26.903 0.30 . 1 . . . . . 78 Arg CB . 16808 1
231 . 1 . 1 28 28 ARG CD C 13 43.221 0.30 . 1 . . . . . 78 Arg CD . 16808 1
232 . 1 . 1 28 28 ARG CG C 13 27.815 0.30 . 1 . . . . . 78 Arg CG . 16808 1
233 . 1 . 1 28 28 ARG N N 15 118.922 0.30 . 1 . . . . . 78 Arg N . 16808 1
234 . 1 . 1 29 29 PRO HA H 1 4.499 0.03 . 1 . . . . . 79 Pro HA . 16808 1
235 . 1 . 1 29 29 PRO HB2 H 1 2.340 0.03 . 2 . . . . . 79 Pro HB2 . 16808 1
236 . 1 . 1 29 29 PRO HB3 H 1 1.847 0.03 . 2 . . . . . 79 Pro HB3 . 16808 1
237 . 1 . 1 29 29 PRO HD2 H 1 3.813 0.03 . 2 . . . . . 79 Pro HD2 . 16808 1
238 . 1 . 1 29 29 PRO HD3 H 1 3.583 0.03 . 2 . . . . . 79 Pro HD3 . 16808 1
239 . 1 . 1 29 29 PRO HG2 H 1 2.328 0.03 . 2 . . . . . 79 Pro HG2 . 16808 1
240 . 1 . 1 29 29 PRO HG3 H 1 2.136 0.03 . 2 . . . . . 79 Pro HG3 . 16808 1
241 . 1 . 1 29 29 PRO C C 13 178.801 0.30 . 1 . . . . . 79 Pro C . 16808 1
242 . 1 . 1 29 29 PRO CA C 13 65.880 0.30 . 1 . . . . . 79 Pro CA . 16808 1
243 . 1 . 1 29 29 PRO CB C 13 30.173 0.30 . 1 . . . . . 79 Pro CB . 16808 1
244 . 1 . 1 29 29 PRO CD C 13 49.985 0.30 . 1 . . . . . 79 Pro CD . 16808 1
245 . 1 . 1 29 29 PRO CG C 13 28.181 0.30 . 1 . . . . . 79 Pro CG . 16808 1
246 . 1 . 1 30 30 THR H H 1 7.607 0.03 . 1 . . . . . 80 Thr H . 16808 1
247 . 1 . 1 30 30 THR HB H 1 4.088 0.03 . 1 . . . . . 80 Thr HB . 16808 1
248 . 1 . 1 30 30 THR HA H 1 4.403 0.03 . 1 . . . . . 80 Thr HA . 16808 1
249 . 1 . 1 30 30 THR HG21 H 1 1.158 0.03 . 1 . . . . . 80 Thr HG2 . 16808 1
250 . 1 . 1 30 30 THR HG22 H 1 1.158 0.03 . 1 . . . . . 80 Thr HG2 . 16808 1
251 . 1 . 1 30 30 THR HG23 H 1 1.158 0.03 . 1 . . . . . 80 Thr HG2 . 16808 1
252 . 1 . 1 30 30 THR C C 13 176.922 0.30 . 1 . . . . . 80 Thr C . 16808 1
253 . 1 . 1 30 30 THR CB C 13 69.604 0.30 . 1 . . . . . 80 Thr CB . 16808 1
254 . 1 . 1 30 30 THR CA C 13 67.286 0.30 . 1 . . . . . 80 Thr CA . 16808 1
255 . 1 . 1 30 30 THR CG2 C 13 21.420 0.30 . 1 . . . . . 80 Thr CG2 . 16808 1
256 . 1 . 1 30 30 THR N N 15 117.830 0.30 . 1 . . . . . 80 Thr N . 16808 1
257 . 1 . 1 31 31 TYR H H 1 8.365 0.03 . 1 . . . . . 81 Tyr H . 16808 1
258 . 1 . 1 31 31 TYR HA H 1 4.822 0.03 . 1 . . . . . 81 Tyr HA . 16808 1
259 . 1 . 1 31 31 TYR HB2 H 1 3.255 0.03 . 2 . . . . . 81 Tyr HB2 . 16808 1
260 . 1 . 1 31 31 TYR HB3 H 1 3.015 0.03 . 2 . . . . . 81 Tyr HB3 . 16808 1
261 . 1 . 1 31 31 TYR HD1 H 1 7.246 0.03 . 3 . . . . . 81 Tyr HD1 . 16808 1
262 . 1 . 1 31 31 TYR HD2 H 1 7.246 0.03 . 3 . . . . . 81 Tyr HD2 . 16808 1
263 . 1 . 1 31 31 TYR HE1 H 1 6.619 0.03 . 3 . . . . . 81 Tyr HE1 . 16808 1
264 . 1 . 1 31 31 TYR HE2 H 1 6.619 0.03 . 3 . . . . . 81 Tyr HE2 . 16808 1
265 . 1 . 1 31 31 TYR C C 13 177.239 0.30 . 1 . . . . . 81 Tyr C . 16808 1
266 . 1 . 1 31 31 TYR CA C 13 58.938 0.30 . 1 . . . . . 81 Tyr CA . 16808 1
267 . 1 . 1 31 31 TYR CB C 13 39.246 0.30 . 1 . . . . . 81 Tyr CB . 16808 1
268 . 1 . 1 31 31 TYR CD1 C 13 133.267 0.30 . 3 . . . . . 81 Tyr CD1 . 16808 1
269 . 1 . 1 31 31 TYR CD2 C 13 133.267 0.30 . 3 . . . . . 81 Tyr CD2 . 16808 1
270 . 1 . 1 31 31 TYR CE1 C 13 117.995 0.30 . 3 . . . . . 81 Tyr CE1 . 16808 1
271 . 1 . 1 31 31 TYR CE2 C 13 117.995 0.30 . 3 . . . . . 81 Tyr CE2 . 16808 1
272 . 1 . 1 31 31 TYR N N 15 123.518 0.30 . 1 . . . . . 81 Tyr N . 16808 1
273 . 1 . 1 32 32 ALA H H 1 7.912 0.03 . 1 . . . . . 82 Ala H . 16808 1
274 . 1 . 1 32 32 ALA HA H 1 4.136 0.03 . 1 . . . . . 82 Ala HA . 16808 1
275 . 1 . 1 32 32 ALA HB1 H 1 1.520 0.03 . 1 . . . . . 82 Ala HB . 16808 1
276 . 1 . 1 32 32 ALA HB2 H 1 1.520 0.03 . 1 . . . . . 82 Ala HB . 16808 1
277 . 1 . 1 32 32 ALA HB3 H 1 1.520 0.03 . 1 . . . . . 82 Ala HB . 16808 1
278 . 1 . 1 32 32 ALA C C 13 177.706 0.30 . 1 . . . . . 82 Ala C . 16808 1
279 . 1 . 1 32 32 ALA CA C 13 51.948 0.30 . 1 . . . . . 82 Ala CA . 16808 1
280 . 1 . 1 32 32 ALA CB C 13 18.666 0.30 . 1 . . . . . 82 Ala CB . 16808 1
281 . 1 . 1 32 32 ALA N N 15 120.093 0.30 . 1 . . . . . 82 Ala N . 16808 1
282 . 1 . 1 33 33 GLY H H 1 8.281 0.03 . 1 . . . . . 83 Gly H . 16808 1
283 . 1 . 1 33 33 GLY HA2 H 1 4.137 0.03 . 2 . . . . . 83 Gly HA2 . 16808 1
284 . 1 . 1 33 33 GLY HA3 H 1 3.615 0.03 . 2 . . . . . 83 Gly HA3 . 16808 1
285 . 1 . 1 33 33 GLY C C 13 174.904 0.30 . 1 . . . . . 83 Gly C . 16808 1
286 . 1 . 1 33 33 GLY CA C 13 45.869 0.30 . 1 . . . . . 83 Gly CA . 16808 1
287 . 1 . 1 33 33 GLY N N 15 108.730 0.30 . 1 . . . . . 83 Gly N . 16808 1
288 . 1 . 1 34 34 SER H H 1 8.341 0.03 . 1 . . . . . 84 Ser H . 16808 1
289 . 1 . 1 34 34 SER HA H 1 4.716 0.03 . 1 . . . . . 84 Ser HA . 16808 1
290 . 1 . 1 34 34 SER HB2 H 1 3.958 0.03 . 2 . . . . . 84 Ser HB2 . 16808 1
291 . 1 . 1 34 34 SER HB3 H 1 3.816 0.03 . 2 . . . . . 84 Ser HB3 . 16808 1
292 . 1 . 1 34 34 SER C C 13 175.016 0.30 . 1 . . . . . 84 Ser C . 16808 1
293 . 1 . 1 34 34 SER CA C 13 57.262 0.30 . 1 . . . . . 84 Ser CA . 16808 1
294 . 1 . 1 34 34 SER CB C 13 62.566 0.30 . 1 . . . . . 84 Ser CB . 16808 1
295 . 1 . 1 34 34 SER N N 15 115.242 0.30 . 1 . . . . . 84 Ser N . 16808 1
296 . 1 . 1 35 35 LYS H H 1 9.069 0.03 . 1 . . . . . 85 Lys H . 16808 1
297 . 1 . 1 35 35 LYS HA H 1 3.951 0.03 . 1 . . . . . 85 Lys HA . 16808 1
298 . 1 . 1 35 35 LYS HB2 H 1 2.126 0.03 . 2 . . . . . 85 Lys HB2 . 16808 1
299 . 1 . 1 35 35 LYS HB3 H 1 1.917 0.03 . 2 . . . . . 85 Lys HB3 . 16808 1
300 . 1 . 1 35 35 LYS HD2 H 1 1.730 0.03 . 2 . . . . . 85 Lys HD2 . 16808 1
301 . 1 . 1 35 35 LYS HD3 H 1 1.680 0.03 . 2 . . . . . 85 Lys HD3 . 16808 1
302 . 1 . 1 35 35 LYS HE2 H 1 3.008 0.03 . 2 . . . . . 85 Lys HE2 . 16808 1
303 . 1 . 1 35 35 LYS HE3 H 1 2.986 0.03 . 2 . . . . . 85 Lys HE3 . 16808 1
304 . 1 . 1 35 35 LYS HG2 H 1 1.394 0.03 . 2 . . . . . 85 Lys HG2 . 16808 1
305 . 1 . 1 35 35 LYS HG3 H 1 1.441 0.03 . 2 . . . . . 85 Lys HG3 . 16808 1
306 . 1 . 1 35 35 LYS C C 13 178.153 0.30 . 1 . . . . . 85 Lys C . 16808 1
307 . 1 . 1 35 35 LYS CA C 13 60.040 0.30 . 1 . . . . . 85 Lys CA . 16808 1
308 . 1 . 1 35 35 LYS CB C 13 32.832 0.30 . 1 . . . . . 85 Lys CB . 16808 1
309 . 1 . 1 35 35 LYS CD C 13 29.611 0.30 . 1 . . . . . 85 Lys CD . 16808 1
310 . 1 . 1 35 35 LYS CE C 13 42.181 0.30 . 1 . . . . . 85 Lys CE . 16808 1
311 . 1 . 1 35 35 LYS CG C 13 25.160 0.30 . 1 . . . . . 85 Lys CG . 16808 1
312 . 1 . 1 35 35 LYS N N 15 134.136 0.30 . 1 . . . . . 85 Lys N . 16808 1
313 . 1 . 1 36 36 SER H H 1 8.339 0.03 . 1 . . . . . 86 Ser H . 16808 1
314 . 1 . 1 36 36 SER HA H 1 4.186 0.03 . 1 . . . . . 86 Ser HA . 16808 1
315 . 1 . 1 36 36 SER HB2 H 1 3.902 0.03 . 2 . . . . . 86 Ser HB2 . 16808 1
316 . 1 . 1 36 36 SER HB3 H 1 3.813 0.03 . 2 . . . . . 86 Ser HB3 . 16808 1
317 . 1 . 1 36 36 SER C C 13 177.368 0.30 . 1 . . . . . 86 Ser C . 16808 1
318 . 1 . 1 36 36 SER CA C 13 61.234 0.30 . 1 . . . . . 86 Ser CA . 16808 1
319 . 1 . 1 36 36 SER CB C 13 62.142 0.30 . 1 . . . . . 86 Ser CB . 16808 1
320 . 1 . 1 36 36 SER N N 15 113.383 0.30 . 1 . . . . . 86 Ser N . 16808 1
321 . 1 . 1 37 37 ALA H H 1 7.721 0.03 . 1 . . . . . 87 Ala H . 16808 1
322 . 1 . 1 37 37 ALA HA H 1 3.993 0.03 . 1 . . . . . 87 Ala HA . 16808 1
323 . 1 . 1 37 37 ALA HB1 H 1 1.578 0.03 . 1 . . . . . 87 Ala HB . 16808 1
324 . 1 . 1 37 37 ALA HB2 H 1 1.578 0.03 . 1 . . . . . 87 Ala HB . 16808 1
325 . 1 . 1 37 37 ALA HB3 H 1 1.578 0.03 . 1 . . . . . 87 Ala HB . 16808 1
326 . 1 . 1 37 37 ALA C C 13 178.192 0.30 . 1 . . . . . 87 Ala C . 16808 1
327 . 1 . 1 37 37 ALA CA C 13 55.322 0.30 . 1 . . . . . 87 Ala CA . 16808 1
328 . 1 . 1 37 37 ALA CB C 13 19.698 0.30 . 1 . . . . . 87 Ala CB . 16808 1
329 . 1 . 1 37 37 ALA N N 15 126.501 0.30 . 1 . . . . . 87 Ala N . 16808 1
330 . 1 . 1 38 38 MET H H 1 7.859 0.03 . 1 . . . . . 88 Met H . 16808 1
331 . 1 . 1 38 38 MET HA H 1 3.910 0.03 . 1 . . . . . 88 Met HA . 16808 1
332 . 1 . 1 38 38 MET HB2 H 1 1.869 0.03 . 2 . . . . . 88 Met HB2 . 16808 1
333 . 1 . 1 38 38 MET HB3 H 1 1.869 0.03 . 2 . . . . . 88 Met HB3 . 16808 1
334 . 1 . 1 38 38 MET HG2 H 1 2.058 0.03 . 2 . . . . . 88 Met HG2 . 16808 1
335 . 1 . 1 38 38 MET HG3 H 1 2.112 0.03 . 2 . . . . . 88 Met HG3 . 16808 1
336 . 1 . 1 38 38 MET HE1 H 1 1.583 0.03 . 1 . . . . . 88 Met HE . 16808 1
337 . 1 . 1 38 38 MET HE2 H 1 1.583 0.03 . 1 . . . . . 88 Met HE . 16808 1
338 . 1 . 1 38 38 MET HE3 H 1 1.583 0.03 . 1 . . . . . 88 Met HE . 16808 1
339 . 1 . 1 38 38 MET C C 13 178.474 0.30 . 1 . . . . . 88 Met C . 16808 1
340 . 1 . 1 38 38 MET CA C 13 59.578 0.30 . 1 . . . . . 88 Met CA . 16808 1
341 . 1 . 1 38 38 MET CB C 13 30.845 0.30 . 1 . . . . . 88 Met CB . 16808 1
342 . 1 . 1 38 38 MET CG C 13 30.844 0.30 . 1 . . . . . 88 Met CG . 16808 1
343 . 1 . 1 38 38 MET CE C 13 16.426 0.30 . 1 . . . . . 88 Met CE . 16808 1
344 . 1 . 1 38 38 MET N N 15 119.633 0.30 . 1 . . . . . 88 Met N . 16808 1
345 . 1 . 1 39 39 GLU H H 1 8.209 0.03 . 1 . . . . . 89 Glu H . 16808 1
346 . 1 . 1 39 39 GLU HA H 1 3.949 0.03 . 1 . . . . . 89 Glu HA . 16808 1
347 . 1 . 1 39 39 GLU HB2 H 1 2.073 0.03 . 2 . . . . . 89 Glu HB2 . 16808 1
348 . 1 . 1 39 39 GLU HB3 H 1 2.009 0.03 . 2 . . . . . 89 Glu HB3 . 16808 1
349 . 1 . 1 39 39 GLU HG2 H 1 2.452 0.03 . 2 . . . . . 89 Glu HG2 . 16808 1
350 . 1 . 1 39 39 GLU HG3 H 1 2.391 0.03 . 2 . . . . . 89 Glu HG3 . 16808 1
351 . 1 . 1 39 39 GLU C C 13 180.112 0.30 . 1 . . . . . 89 Glu C . 16808 1
352 . 1 . 1 39 39 GLU CA C 13 59.385 0.30 . 1 . . . . . 89 Glu CA . 16808 1
353 . 1 . 1 39 39 GLU CB C 13 29.183 0.30 . 1 . . . . . 89 Glu CB . 16808 1
354 . 1 . 1 39 39 GLU CG C 13 36.243 0.30 . 1 . . . . . 89 Glu CG . 16808 1
355 . 1 . 1 39 39 GLU N N 15 117.924 0.30 . 1 . . . . . 89 Glu N . 16808 1
356 . 1 . 1 40 40 ARG H H 1 7.894 0.03 . 1 . . . . . 90 Arg H . 16808 1
357 . 1 . 1 40 40 ARG HA H 1 3.993 0.03 . 1 . . . . . 90 Arg HA . 16808 1
358 . 1 . 1 40 40 ARG HB2 H 1 2.065 0.03 . 2 . . . . . 90 Arg HB2 . 16808 1
359 . 1 . 1 40 40 ARG HB3 H 1 1.679 0.03 . 2 . . . . . 90 Arg HB3 . 16808 1
360 . 1 . 1 40 40 ARG HD2 H 1 3.368 0.03 . 2 . . . . . 90 Arg HD2 . 16808 1
361 . 1 . 1 40 40 ARG HD3 H 1 3.067 0.03 . 2 . . . . . 90 Arg HD3 . 16808 1
362 . 1 . 1 40 40 ARG HE H 1 8.410 0.03 . 1 . . . . . 90 Arg HE . 16808 1
363 . 1 . 1 40 40 ARG HG2 H 1 1.957 0.03 . 2 . . . . . 90 Arg HG2 . 16808 1
364 . 1 . 1 40 40 ARG HG3 H 1 1.387 0.03 . 2 . . . . . 90 Arg HG3 . 16808 1
365 . 1 . 1 40 40 ARG C C 13 180.328 0.30 . 1 . . . . . 90 Arg C . 16808 1
366 . 1 . 1 40 40 ARG CA C 13 60.873 0.30 . 1 . . . . . 90 Arg CA . 16808 1
367 . 1 . 1 40 40 ARG CB C 13 30.824 0.30 . 1 . . . . . 90 Arg CB . 16808 1
368 . 1 . 1 40 40 ARG CD C 13 43.393 0.30 . 1 . . . . . 90 Arg CD . 16808 1
369 . 1 . 1 40 40 ARG CG C 13 28.768 0.30 . 1 . . . . . 90 Arg CG . 16808 1
370 . 1 . 1 40 40 ARG N N 15 120.656 0.30 . 1 . . . . . 90 Arg N . 16808 1
371 . 1 . 1 40 40 ARG NE N 15 84.679 0.30 . 1 . . . . . 90 Arg NE . 16808 1
372 . 1 . 1 41 41 LEU H H 1 8.749 0.03 . 1 . . . . . 91 Leu H . 16808 1
373 . 1 . 1 41 41 LEU HA H 1 4.043 0.03 . 1 . . . . . 91 Leu HA . 16808 1
374 . 1 . 1 41 41 LEU HB2 H 1 2.024 0.03 . 2 . . . . . 91 Leu HB2 . 16808 1
375 . 1 . 1 41 41 LEU HB3 H 1 1.733 0.03 . 2 . . . . . 91 Leu HB3 . 16808 1
376 . 1 . 1 41 41 LEU HD11 H 1 0.956 0.03 . 1 . . . . . 91 Leu HD1 . 16808 1
377 . 1 . 1 41 41 LEU HD12 H 1 0.956 0.03 . 1 . . . . . 91 Leu HD1 . 16808 1
378 . 1 . 1 41 41 LEU HD13 H 1 0.956 0.03 . 1 . . . . . 91 Leu HD1 . 16808 1
379 . 1 . 1 41 41 LEU HD21 H 1 0.938 0.03 . 1 . . . . . 91 Leu HD2 . 16808 1
380 . 1 . 1 41 41 LEU HD22 H 1 0.938 0.03 . 1 . . . . . 91 Leu HD2 . 16808 1
381 . 1 . 1 41 41 LEU HD23 H 1 0.938 0.03 . 1 . . . . . 91 Leu HD2 . 16808 1
382 . 1 . 1 41 41 LEU HG H 1 1.628 0.03 . 1 . . . . . 91 Leu HG . 16808 1
383 . 1 . 1 41 41 LEU C C 13 177.808 0.30 . 1 . . . . . 91 Leu C . 16808 1
384 . 1 . 1 41 41 LEU CA C 13 58.798 0.30 . 1 . . . . . 91 Leu CA . 16808 1
385 . 1 . 1 41 41 LEU CB C 13 42.116 0.30 . 1 . . . . . 91 Leu CB . 16808 1
386 . 1 . 1 41 41 LEU CD1 C 13 25.028 0.30 . 1 . . . . . 91 Leu CD1 . 16808 1
387 . 1 . 1 41 41 LEU CD2 C 13 27.050 0.30 . 1 . . . . . 91 Leu CD2 . 16808 1
388 . 1 . 1 41 41 LEU CG C 13 27.473 0.30 . 1 . . . . . 91 Leu CG . 16808 1
389 . 1 . 1 41 41 LEU N N 15 124.877 0.30 . 1 . . . . . 91 Leu N . 16808 1
390 . 1 . 1 42 42 LYS H H 1 8.615 0.03 . 1 . . . . . 92 Lys H . 16808 1
391 . 1 . 1 42 42 LYS HA H 1 3.804 0.03 . 1 . . . . . 92 Lys HA . 16808 1
392 . 1 . 1 42 42 LYS HB2 H 1 1.919 0.03 . 2 . . . . . 92 Lys HB2 . 16808 1
393 . 1 . 1 42 42 LYS HB3 H 1 1.847 0.03 . 2 . . . . . 92 Lys HB3 . 16808 1
394 . 1 . 1 42 42 LYS HD2 H 1 1.714 0.03 . 2 . . . . . 92 Lys HD2 . 16808 1
395 . 1 . 1 42 42 LYS HD3 H 1 1.674 0.03 . 2 . . . . . 92 Lys HD3 . 16808 1
396 . 1 . 1 42 42 LYS HE2 H 1 2.930 0.03 . 2 . . . . . 92 Lys HE2 . 16808 1
397 . 1 . 1 42 42 LYS HE3 H 1 2.930 0.03 . 2 . . . . . 92 Lys HE3 . 16808 1
398 . 1 . 1 42 42 LYS HG2 H 1 1.614 0.03 . 2 . . . . . 92 Lys HG2 . 16808 1
399 . 1 . 1 42 42 LYS HG3 H 1 1.614 0.03 . 2 . . . . . 92 Lys HG3 . 16808 1
400 . 1 . 1 42 42 LYS C C 13 179.005 0.30 . 1 . . . . . 92 Lys C . 16808 1
401 . 1 . 1 42 42 LYS CA C 13 60.492 0.30 . 1 . . . . . 92 Lys CA . 16808 1
402 . 1 . 1 42 42 LYS CB C 13 32.977 0.30 . 1 . . . . . 92 Lys CB . 16808 1
403 . 1 . 1 42 42 LYS CD C 13 29.859 0.30 . 1 . . . . . 92 Lys CD . 16808 1
404 . 1 . 1 42 42 LYS CE C 13 41.750 0.30 . 1 . . . . . 92 Lys CE . 16808 1
405 . 1 . 1 42 42 LYS CG C 13 25.136 0.30 . 1 . . . . . 92 Lys CG . 16808 1
406 . 1 . 1 42 42 LYS N N 15 118.379 0.30 . 1 . . . . . 92 Lys N . 16808 1
407 . 1 . 1 43 43 ARG H H 1 8.271 0.03 . 1 . . . . . 93 Arg H . 16808 1
408 . 1 . 1 43 43 ARG HA H 1 3.986 0.03 . 1 . . . . . 93 Arg HA . 16808 1
409 . 1 . 1 43 43 ARG HB2 H 1 1.923 0.03 . 2 . . . . . 93 Arg HB2 . 16808 1
410 . 1 . 1 43 43 ARG HB3 H 1 1.844 0.03 . 2 . . . . . 93 Arg HB3 . 16808 1
411 . 1 . 1 43 43 ARG HD2 H 1 3.222 0.03 . 2 . . . . . 93 Arg HD2 . 16808 1
412 . 1 . 1 43 43 ARG HD3 H 1 3.182 0.03 . 2 . . . . . 93 Arg HD3 . 16808 1
413 . 1 . 1 43 43 ARG HG2 H 1 1.836 0.03 . 2 . . . . . 93 Arg HG2 . 16808 1
414 . 1 . 1 43 43 ARG HG3 H 1 1.618 0.03 . 2 . . . . . 93 Arg HG3 . 16808 1
415 . 1 . 1 43 43 ARG C C 13 179.459 0.30 . 1 . . . . . 93 Arg C . 16808 1
416 . 1 . 1 43 43 ARG CA C 13 59.508 0.30 . 1 . . . . . 93 Arg CA . 16808 1
417 . 1 . 1 43 43 ARG CB C 13 30.147 0.30 . 1 . . . . . 93 Arg CB . 16808 1
418 . 1 . 1 43 43 ARG CD C 13 43.648 0.30 . 1 . . . . . 93 Arg CD . 16808 1
419 . 1 . 1 43 43 ARG CG C 13 27.823 0.30 . 1 . . . . . 93 Arg CG . 16808 1
420 . 1 . 1 43 43 ARG N N 15 117.272 0.30 . 1 . . . . . 93 Arg N . 16808 1
421 . 1 . 1 44 44 GLY H H 1 8.364 0.03 . 1 . . . . . 94 Gly H . 16808 1
422 . 1 . 1 44 44 GLY HA2 H 1 4.046 0.03 . 2 . . . . . 94 Gly HA2 . 16808 1
423 . 1 . 1 44 44 GLY HA3 H 1 3.856 0.03 . 2 . . . . . 94 Gly HA3 . 16808 1
424 . 1 . 1 44 44 GLY C C 13 175.428 0.30 . 1 . . . . . 94 Gly C . 16808 1
425 . 1 . 1 44 44 GLY CA C 13 47.706 0.30 . 1 . . . . . 94 Gly CA . 16808 1
426 . 1 . 1 44 44 GLY N N 15 108.885 0.30 . 1 . . . . . 94 Gly N . 16808 1
427 . 1 . 1 45 45 ILE H H 1 8.223 0.03 . 1 . . . . . 95 Ile H . 16808 1
428 . 1 . 1 45 45 ILE HA H 1 3.689 0.03 . 1 . . . . . 95 Ile HA . 16808 1
429 . 1 . 1 45 45 ILE HB H 1 2.074 0.03 . 1 . . . . . 95 Ile HB . 16808 1
430 . 1 . 1 45 45 ILE HD11 H 1 0.751 0.03 . 1 . . . . . 95 Ile HD1 . 16808 1
431 . 1 . 1 45 45 ILE HD12 H 1 0.751 0.03 . 1 . . . . . 95 Ile HD1 . 16808 1
432 . 1 . 1 45 45 ILE HD13 H 1 0.751 0.03 . 1 . . . . . 95 Ile HD1 . 16808 1
433 . 1 . 1 45 45 ILE HG12 H 1 1.707 0.03 . 2 . . . . . 95 Ile HG12 . 16808 1
434 . 1 . 1 45 45 ILE HG13 H 1 1.253 0.03 . 2 . . . . . 95 Ile HG13 . 16808 1
435 . 1 . 1 45 45 ILE HG21 H 1 0.893 0.03 . 1 . . . . . 95 Ile HG2 . 16808 1
436 . 1 . 1 45 45 ILE HG22 H 1 0.893 0.03 . 1 . . . . . 95 Ile HG2 . 16808 1
437 . 1 . 1 45 45 ILE HG23 H 1 0.893 0.03 . 1 . . . . . 95 Ile HG2 . 16808 1
438 . 1 . 1 45 45 ILE C C 13 177.578 0.30 . 1 . . . . . 95 Ile C . 16808 1
439 . 1 . 1 45 45 ILE CA C 13 64.842 0.30 . 1 . . . . . 95 Ile CA . 16808 1
440 . 1 . 1 45 45 ILE CB C 13 36.918 0.30 . 1 . . . . . 95 Ile CB . 16808 1
441 . 1 . 1 45 45 ILE CD1 C 13 13.020 0.30 . 1 . . . . . 95 Ile CD1 . 16808 1
442 . 1 . 1 45 45 ILE CG1 C 13 30.168 0.30 . 1 . . . . . 95 Ile CG1 . 16808 1
443 . 1 . 1 45 45 ILE CG2 C 13 17.562 0.30 . 1 . . . . . 95 Ile CG2 . 16808 1
444 . 1 . 1 45 45 ILE N N 15 123.012 0.30 . 1 . . . . . 95 Ile N . 16808 1
445 . 1 . 1 46 46 ILE H H 1 7.817 0.03 . 1 . . . . . 96 Ile H . 16808 1
446 . 1 . 1 46 46 ILE HA H 1 3.651 0.03 . 1 . . . . . 96 Ile HA . 16808 1
447 . 1 . 1 46 46 ILE HB H 1 1.965 0.03 . 1 . . . . . 96 Ile HB . 16808 1
448 . 1 . 1 46 46 ILE HD11 H 1 0.863 0.03 . 1 . . . . . 96 Ile HD1 . 16808 1
449 . 1 . 1 46 46 ILE HD12 H 1 0.863 0.03 . 1 . . . . . 96 Ile HD1 . 16808 1
450 . 1 . 1 46 46 ILE HD13 H 1 0.863 0.03 . 1 . . . . . 96 Ile HD1 . 16808 1
451 . 1 . 1 46 46 ILE HG12 H 1 1.772 0.03 . 2 . . . . . 96 Ile HG12 . 16808 1
452 . 1 . 1 46 46 ILE HG13 H 1 1.171 0.03 . 2 . . . . . 96 Ile HG13 . 16808 1
453 . 1 . 1 46 46 ILE HG21 H 1 0.963 0.03 . 1 . . . . . 96 Ile HG2 . 16808 1
454 . 1 . 1 46 46 ILE HG22 H 1 0.963 0.03 . 1 . . . . . 96 Ile HG2 . 16808 1
455 . 1 . 1 46 46 ILE HG23 H 1 0.963 0.03 . 1 . . . . . 96 Ile HG2 . 16808 1
456 . 1 . 1 46 46 ILE C C 13 179.569 0.30 . 1 . . . . . 96 Ile C . 16808 1
457 . 1 . 1 46 46 ILE CA C 13 65.612 0.30 . 1 . . . . . 96 Ile CA . 16808 1
458 . 1 . 1 46 46 ILE CB C 13 37.927 0.30 . 1 . . . . . 96 Ile CB . 16808 1
459 . 1 . 1 46 46 ILE CD1 C 13 13.287 0.30 . 1 . . . . . 96 Ile CD1 . 16808 1
460 . 1 . 1 46 46 ILE CG1 C 13 29.585 0.30 . 1 . . . . . 96 Ile CG1 . 16808 1
461 . 1 . 1 46 46 ILE CG2 C 13 17.319 0.30 . 1 . . . . . 96 Ile CG2 . 16808 1
462 . 1 . 1 46 46 ILE N N 15 120.801 0.30 . 1 . . . . . 96 Ile N . 16808 1
463 . 1 . 1 47 47 HIS H H 1 8.402 0.03 . 1 . . . . . 97 His H . 16808 1
464 . 1 . 1 47 47 HIS HA H 1 4.591 0.03 . 1 . . . . . 97 His HA . 16808 1
465 . 1 . 1 47 47 HIS HB2 H 1 3.395 0.03 . 2 . . . . . 97 His HB2 . 16808 1
466 . 1 . 1 47 47 HIS HB3 H 1 3.346 0.03 . 2 . . . . . 97 His HB3 . 16808 1
467 . 1 . 1 47 47 HIS HD2 H 1 7.076 0.03 . 1 . . . . . 97 His HD2 . 16808 1
468 . 1 . 1 47 47 HIS C C 13 178.105 0.30 . 1 . . . . . 97 His C . 16808 1
469 . 1 . 1 47 47 HIS CA C 13 57.964 0.30 . 1 . . . . . 97 His CA . 16808 1
470 . 1 . 1 47 47 HIS CB C 13 30.340 0.30 . 1 . . . . . 97 His CB . 16808 1
471 . 1 . 1 47 47 HIS CD2 C 13 118.40 0.30 . 1 . . . . . 97 His CD2 . 16808 1
472 . 1 . 1 47 47 HIS N N 15 121.221 0.30 . 1 . . . . . 97 His N . 16808 1
473 . 1 . 1 48 48 ALA H H 1 9.037 0.03 . 1 . . . . . 98 Ala H . 16808 1
474 . 1 . 1 48 48 ALA HA H 1 3.875 0.03 . 1 . . . . . 98 Ala HA . 16808 1
475 . 1 . 1 48 48 ALA HB1 H 1 1.426 0.03 . 1 . . . . . 98 Ala HB . 16808 1
476 . 1 . 1 48 48 ALA HB2 H 1 1.426 0.03 . 1 . . . . . 98 Ala HB . 16808 1
477 . 1 . 1 48 48 ALA HB3 H 1 1.426 0.03 . 1 . . . . . 98 Ala HB . 16808 1
478 . 1 . 1 48 48 ALA C C 13 178.342 0.30 . 1 . . . . . 98 Ala C . 16808 1
479 . 1 . 1 48 48 ALA CA C 13 55.708 0.30 . 1 . . . . . 98 Ala CA . 16808 1
480 . 1 . 1 48 48 ALA CB C 13 17.340 0.30 . 1 . . . . . 98 Ala CB . 16808 1
481 . 1 . 1 48 48 ALA N N 15 121.780 0.30 . 1 . . . . . 98 Ala N . 16808 1
482 . 1 . 1 49 49 ARG H H 1 8.653 0.03 . 1 . . . . . 99 Arg H . 16808 1
483 . 1 . 1 49 49 ARG HA H 1 3.697 0.03 . 1 . . . . . 99 Arg HA . 16808 1
484 . 1 . 1 49 49 ARG HB2 H 1 2.071 0.03 . 2 . . . . . 99 Arg HB2 . 16808 1
485 . 1 . 1 49 49 ARG HB3 H 1 1.886 0.03 . 2 . . . . . 99 Arg HB3 . 16808 1
486 . 1 . 1 49 49 ARG HD2 H 1 3.171 0.03 . 2 . . . . . 99 Arg HD2 . 16808 1
487 . 1 . 1 49 49 ARG HD3 H 1 3.251 0.03 . 2 . . . . . 99 Arg HD3 . 16808 1
488 . 1 . 1 49 49 ARG HG2 H 1 1.649 0.03 . 2 . . . . . 99 Arg HG2 . 16808 1
489 . 1 . 1 49 49 ARG HG3 H 1 1.502 0.03 . 2 . . . . . 99 Arg HG3 . 16808 1
490 . 1 . 1 49 49 ARG C C 13 178.281 0.30 . 1 . . . . . 99 Arg C . 16808 1
491 . 1 . 1 49 49 ARG CA C 13 60.310 0.30 . 1 . . . . . 99 Arg CA . 16808 1
492 . 1 . 1 49 49 ARG CB C 13 30.509 0.30 . 1 . . . . . 99 Arg CB . 16808 1
493 . 1 . 1 49 49 ARG CD C 13 44.206 0.30 . 1 . . . . . 99 Arg CD . 16808 1
494 . 1 . 1 49 49 ARG CG C 13 27.523 0.30 . 1 . . . . . 99 Arg CG . 16808 1
495 . 1 . 1 49 49 ARG N N 15 117.577 0.30 . 1 . . . . . 99 Arg N . 16808 1
496 . 1 . 1 50 50 GLY H H 1 7.948 0.03 . 1 . . . . . 100 Gly H . 16808 1
497 . 1 . 1 50 50 GLY HA2 H 1 4.082 0.03 . 2 . . . . . 100 Gly HA2 . 16808 1
498 . 1 . 1 50 50 GLY HA3 H 1 3.834 0.03 . 2 . . . . . 100 Gly HA3 . 16808 1
499 . 1 . 1 50 50 GLY C C 13 176.710 0.30 . 1 . . . . . 100 Gly C . 16808 1
500 . 1 . 1 50 50 GLY CA C 13 47.553 0.30 . 1 . . . . . 100 Gly CA . 16808 1
501 . 1 . 1 50 50 GLY N N 15 105.389 0.30 . 1 . . . . . 100 Gly N . 16808 1
502 . 1 . 1 51 51 LEU H H 1 8.048 0.03 . 1 . . . . . 101 Leu H . 16808 1
503 . 1 . 1 51 51 LEU HA H 1 4.179 0.03 . 1 . . . . . 101 Leu HA . 16808 1
504 . 1 . 1 51 51 LEU HB2 H 1 1.338 0.03 . 2 . . . . . 101 Leu HB2 . 16808 1
505 . 1 . 1 51 51 LEU HB3 H 1 1.887 0.03 . 2 . . . . . 101 Leu HB3 . 16808 1
506 . 1 . 1 51 51 LEU HD11 H 1 0.725 0.03 . 1 . . . . . 101 Leu HD1 . 16808 1
507 . 1 . 1 51 51 LEU HD12 H 1 0.725 0.03 . 1 . . . . . 101 Leu HD1 . 16808 1
508 . 1 . 1 51 51 LEU HD13 H 1 0.725 0.03 . 1 . . . . . 101 Leu HD1 . 16808 1
509 . 1 . 1 51 51 LEU HD21 H 1 0.830 0.03 . 1 . . . . . 101 Leu HD2 . 16808 1
510 . 1 . 1 51 51 LEU HD22 H 1 0.830 0.03 . 1 . . . . . 101 Leu HD2 . 16808 1
511 . 1 . 1 51 51 LEU HD23 H 1 0.830 0.03 . 1 . . . . . 101 Leu HD2 . 16808 1
512 . 1 . 1 51 51 LEU HG H 1 1.570 0.03 . 1 . . . . . 101 Leu HG . 16808 1
513 . 1 . 1 51 51 LEU C C 13 179.803 0.30 . 1 . . . . . 101 Leu C . 16808 1
514 . 1 . 1 51 51 LEU CA C 13 57.855 0.30 . 1 . . . . . 101 Leu CA . 16808 1
515 . 1 . 1 51 51 LEU CB C 13 43.110 0.30 . 1 . . . . . 101 Leu CB . 16808 1
516 . 1 . 1 51 51 LEU CD1 C 13 25.800 0.30 . 1 . . . . . 101 Leu CD1 . 16808 1
517 . 1 . 1 51 51 LEU CD2 C 13 23.892 0.30 . 1 . . . . . 101 Leu CD2 . 16808 1
518 . 1 . 1 51 51 LEU CG C 13 27.323 0.30 . 1 . . . . . 101 Leu CG . 16808 1
519 . 1 . 1 51 51 LEU N N 15 122.711 0.30 . 1 . . . . . 101 Leu N . 16808 1
520 . 1 . 1 52 52 VAL H H 1 8.546 0.03 . 1 . . . . . 102 Val H . 16808 1
521 . 1 . 1 52 52 VAL HA H 1 3.490 0.03 . 1 . . . . . 102 Val HA . 16808 1
522 . 1 . 1 52 52 VAL HB H 1 2.165 0.03 . 1 . . . . . 102 Val HB . 16808 1
523 . 1 . 1 52 52 VAL HG11 H 1 1.058 0.03 . 1 . . . . . 102 Val HG1 . 16808 1
524 . 1 . 1 52 52 VAL HG12 H 1 1.058 0.03 . 1 . . . . . 102 Val HG1 . 16808 1
525 . 1 . 1 52 52 VAL HG13 H 1 1.058 0.03 . 1 . . . . . 102 Val HG1 . 16808 1
526 . 1 . 1 52 52 VAL HG21 H 1 1.080 0.03 . 1 . . . . . 102 Val HG2 . 16808 1
527 . 1 . 1 52 52 VAL HG22 H 1 1.080 0.03 . 1 . . . . . 102 Val HG2 . 16808 1
528 . 1 . 1 52 52 VAL HG23 H 1 1.080 0.03 . 1 . . . . . 102 Val HG2 . 16808 1
529 . 1 . 1 52 52 VAL C C 13 177.963 0.30 . 1 . . . . . 102 Val C . 16808 1
530 . 1 . 1 52 52 VAL CA C 13 67.503 0.30 . 1 . . . . . 102 Val CA . 16808 1
531 . 1 . 1 52 52 VAL CB C 13 31.039 0.30 . 1 . . . . . 102 Val CB . 16808 1
532 . 1 . 1 52 52 VAL CG1 C 13 23.550 0.30 . 1 . . . . . 102 Val CG1 . 16808 1
533 . 1 . 1 52 52 VAL CG2 C 13 24.648 0.30 . 1 . . . . . 102 Val CG2 . 16808 1
534 . 1 . 1 52 52 VAL N N 15 119.604 0.30 . 1 . . . . . 102 Val N . 16808 1
535 . 1 . 1 53 53 ARG H H 1 8.209 0.03 . 1 . . . . . 103 Arg H . 16808 1
536 . 1 . 1 53 53 ARG HA H 1 3.942 0.03 . 1 . . . . . 103 Arg HA . 16808 1
537 . 1 . 1 53 53 ARG HB2 H 1 2.041 0.03 . 2 . . . . . 103 Arg HB2 . 16808 1
538 . 1 . 1 53 53 ARG HB3 H 1 1.961 0.03 . 2 . . . . . 103 Arg HB3 . 16808 1
539 . 1 . 1 53 53 ARG HD2 H 1 3.182 0.03 . 2 . . . . . 103 Arg HD2 . 16808 1
540 . 1 . 1 53 53 ARG HD3 H 1 3.182 0.03 . 2 . . . . . 103 Arg HD3 . 16808 1
541 . 1 . 1 53 53 ARG HG2 H 1 1.962 0.03 . 2 . . . . . 103 Arg HG2 . 16808 1
542 . 1 . 1 53 53 ARG HG3 H 1 1.635 0.03 . 2 . . . . . 103 Arg HG3 . 16808 1
543 . 1 . 1 53 53 ARG C C 13 179.445 0.30 . 1 . . . . . 103 Arg C . 16808 1
544 . 1 . 1 53 53 ARG CA C 13 60.449 0.30 . 1 . . . . . 103 Arg CA . 16808 1
545 . 1 . 1 53 53 ARG CB C 13 29.944 0.30 . 1 . . . . . 103 Arg CB . 16808 1
546 . 1 . 1 53 53 ARG CD C 13 43.522 0.30 . 1 . . . . . 103 Arg CD . 16808 1
547 . 1 . 1 53 53 ARG CG C 13 28.825 0.30 . 1 . . . . . 103 Arg CG . 16808 1
548 . 1 . 1 53 53 ARG N N 15 119.128 0.30 . 1 . . . . . 103 Arg N . 16808 1
549 . 1 . 1 54 54 GLU H H 1 7.900 0.03 . 1 . . . . . 104 Glu H . 16808 1
550 . 1 . 1 54 54 GLU HA H 1 4.127 0.03 . 1 . . . . . 104 Glu HA . 16808 1
551 . 1 . 1 54 54 GLU HB2 H 1 2.273 0.03 . 2 . . . . . 104 Glu HB2 . 16808 1
552 . 1 . 1 54 54 GLU HB3 H 1 2.079 0.03 . 2 . . . . . 104 Glu HB3 . 16808 1
553 . 1 . 1 54 54 GLU HG2 H 1 2.494 0.03 . 2 . . . . . 104 Glu HG2 . 16808 1
554 . 1 . 1 54 54 GLU HG3 H 1 2.237 0.03 . 2 . . . . . 104 Glu HG3 . 16808 1
555 . 1 . 1 54 54 GLU C C 13 179.392 0.30 . 1 . . . . . 104 Glu C . 16808 1
556 . 1 . 1 54 54 GLU CA C 13 59.769 0.30 . 1 . . . . . 104 Glu CA . 16808 1
557 . 1 . 1 54 54 GLU CB C 13 29.400 0.30 . 1 . . . . . 104 Glu CB . 16808 1
558 . 1 . 1 54 54 GLU CG C 13 36.500 0.30 . 1 . . . . . 104 Glu CG . 16808 1
559 . 1 . 1 54 54 GLU N N 15 120.156 0.30 . 1 . . . . . 104 Glu N . 16808 1
560 . 1 . 1 55 55 CYS H H 1 8.046 0.03 . 1 . . . . . 105 Cys H . 16808 1
561 . 1 . 1 55 55 CYS HA H 1 3.861 0.03 . 1 . . . . . 105 Cys HA . 16808 1
562 . 1 . 1 55 55 CYS HB2 H 1 2.735 0.03 . 2 . . . . . 105 Cys HB2 . 16808 1
563 . 1 . 1 55 55 CYS HB3 H 1 2.056 0.03 . 2 . . . . . 105 Cys HB3 . 16808 1
564 . 1 . 1 55 55 CYS C C 13 177.083 0.30 . 1 . . . . . 105 Cys C . 16808 1
565 . 1 . 1 55 55 CYS CA C 13 63.878 0.30 . 1 . . . . . 105 Cys CA . 16808 1
566 . 1 . 1 55 55 CYS CB C 13 26.198 0.30 . 1 . . . . . 105 Cys CB . 16808 1
567 . 1 . 1 55 55 CYS N N 15 118.959 0.30 . 1 . . . . . 105 Cys N . 16808 1
568 . 1 . 1 56 56 LEU H H 1 8.141 0.03 . 1 . . . . . 106 Leu H . 16808 1
569 . 1 . 1 56 56 LEU HA H 1 3.891 0.03 . 1 . . . . . 106 Leu HA . 16808 1
570 . 1 . 1 56 56 LEU HB2 H 1 1.725 0.03 . 2 . . . . . 106 Leu HB2 . 16808 1
571 . 1 . 1 56 56 LEU HB3 H 1 1.589 0.03 . 2 . . . . . 106 Leu HB3 . 16808 1
572 . 1 . 1 56 56 LEU HD11 H 1 0.881 0.03 . 2 . . . . . 106 Leu HD1 . 16808 1
573 . 1 . 1 56 56 LEU HD12 H 1 0.881 0.03 . 2 . . . . . 106 Leu HD1 . 16808 1
574 . 1 . 1 56 56 LEU HD13 H 1 0.881 0.03 . 2 . . . . . 106 Leu HD1 . 16808 1
575 . 1 . 1 56 56 LEU HD21 H 1 0.893 0.03 . 2 . . . . . 106 Leu HD2 . 16808 1
576 . 1 . 1 56 56 LEU HD22 H 1 0.893 0.03 . 2 . . . . . 106 Leu HD2 . 16808 1
577 . 1 . 1 56 56 LEU HD23 H 1 0.893 0.03 . 2 . . . . . 106 Leu HD2 . 16808 1
578 . 1 . 1 56 56 LEU HG H 1 1.602 0.03 . 1 . . . . . 106 Leu HG . 16808 1
579 . 1 . 1 56 56 LEU C C 13 178.124 0.30 . 1 . . . . . 106 Leu C . 16808 1
580 . 1 . 1 56 56 LEU CA C 13 57.851 0.30 . 1 . . . . . 106 Leu CA . 16808 1
581 . 1 . 1 56 56 LEU CB C 13 42.194 0.30 . 1 . . . . . 106 Leu CB . 16808 1
582 . 1 . 1 56 56 LEU CD1 C 13 25.097 0.30 . 2 . . . . . 106 Leu CD1 . 16808 1
583 . 1 . 1 56 56 LEU CD2 C 13 25.036 0.30 . 2 . . . . . 106 Leu CD2 . 16808 1
584 . 1 . 1 56 56 LEU CG C 13 27.382 0.30 . 1 . . . . . 106 Leu CG . 16808 1
585 . 1 . 1 56 56 LEU N N 15 121.249 0.30 . 1 . . . . . 106 Leu N . 16808 1
586 . 1 . 1 57 57 ALA H H 1 7.902 0.03 . 1 . . . . . 107 Ala H . 16808 1
587 . 1 . 1 57 57 ALA HA H 1 4.176 0.03 . 1 . . . . . 107 Ala HA . 16808 1
588 . 1 . 1 57 57 ALA HB1 H 1 1.490 0.03 . 1 . . . . . 107 Ala HB . 16808 1
589 . 1 . 1 57 57 ALA HB2 H 1 1.490 0.03 . 1 . . . . . 107 Ala HB . 16808 1
590 . 1 . 1 57 57 ALA HB3 H 1 1.490 0.03 . 1 . . . . . 107 Ala HB . 16808 1
591 . 1 . 1 57 57 ALA C C 13 179.923 0.30 . 1 . . . . . 107 Ala C . 16808 1
592 . 1 . 1 57 57 ALA CA C 13 54.682 0.30 . 1 . . . . . 107 Ala CA . 16808 1
593 . 1 . 1 57 57 ALA CB C 13 18.352 0.30 . 1 . . . . . 107 Ala CB . 16808 1
594 . 1 . 1 57 57 ALA N N 15 121.546 0.30 . 1 . . . . . 107 Ala N . 16808 1
595 . 1 . 1 58 58 GLU H H 1 7.912 0.03 . 1 . . . . . 108 Glu H . 16808 1
596 . 1 . 1 58 58 GLU HA H 1 4.125 0.03 . 1 . . . . . 108 Glu HA . 16808 1
597 . 1 . 1 58 58 GLU HB2 H 1 2.121 0.03 . 2 . . . . . 108 Glu HB2 . 16808 1
598 . 1 . 1 58 58 GLU HB3 H 1 2.121 0.03 . 2 . . . . . 108 Glu HB3 . 16808 1
599 . 1 . 1 58 58 GLU HG2 H 1 2.367 0.03 . 2 . . . . . 108 Glu HG2 . 16808 1
600 . 1 . 1 58 58 GLU HG3 H 1 2.285 0.03 . 2 . . . . . 108 Glu HG3 . 16808 1
601 . 1 . 1 58 58 GLU C C 13 177.980 0.30 . 1 . . . . . 108 Glu C . 16808 1
602 . 1 . 1 58 58 GLU CA C 13 58.807 0.30 . 1 . . . . . 108 Glu CA . 16808 1
603 . 1 . 1 58 58 GLU CB C 13 29.810 0.30 . 1 . . . . . 108 Glu CB . 16808 1
604 . 1 . 1 58 58 GLU CG C 13 36.350 0.30 . 1 . . . . . 108 Glu CG . 16808 1
605 . 1 . 1 58 58 GLU N N 15 118.223 0.30 . 1 . . . . . 108 Glu N . 16808 1
606 . 1 . 1 59 59 THR H H 1 7.965 0.03 . 1 . . . . . 109 Thr H . 16808 1
607 . 1 . 1 59 59 THR HA H 1 4.179 0.03 . 1 . . . . . 109 Thr HA . 16808 1
608 . 1 . 1 59 59 THR HB H 1 4.325 0.03 . 1 . . . . . 109 Thr HB . 16808 1
609 . 1 . 1 59 59 THR HG21 H 1 1.294 0.03 . 1 . . . . . 109 Thr HG2 . 16808 1
610 . 1 . 1 59 59 THR HG22 H 1 1.294 0.03 . 1 . . . . . 109 Thr HG2 . 16808 1
611 . 1 . 1 59 59 THR HG23 H 1 1.294 0.03 . 1 . . . . . 109 Thr HG2 . 16808 1
612 . 1 . 1 59 59 THR C C 13 176.030 0.30 . 1 . . . . . 109 Thr C . 16808 1
613 . 1 . 1 59 59 THR CA C 13 65.258 0.30 . 1 . . . . . 109 Thr CA . 16808 1
614 . 1 . 1 59 59 THR CB C 13 69.593 0.30 . 1 . . . . . 109 Thr CB . 16808 1
615 . 1 . 1 59 59 THR CG2 C 13 21.968 0.30 . 1 . . . . . 109 Thr CG2 . 16808 1
616 . 1 . 1 59 59 THR N N 15 114.417 0.30 . 1 . . . . . 109 Thr N . 16808 1
617 . 1 . 1 60 60 GLU H H 1 8.174 0.03 . 1 . . . . . 110 Glu H . 16808 1
618 . 1 . 1 60 60 GLU HA H 1 4.177 0.03 . 1 . . . . . 110 Glu HA . 16808 1
619 . 1 . 1 60 60 GLU HB2 H 1 2.075 0.03 . 2 . . . . . 110 Glu HB2 . 16808 1
620 . 1 . 1 60 60 GLU HB3 H 1 2.075 0.03 . 2 . . . . . 110 Glu HB3 . 16808 1
621 . 1 . 1 60 60 GLU HG2 H 1 2.377 0.03 . 2 . . . . . 110 Glu HG2 . 16808 1
622 . 1 . 1 60 60 GLU HG3 H 1 2.237 0.03 . 2 . . . . . 110 Glu HG3 . 16808 1
623 . 1 . 1 60 60 GLU C C 13 177.767 0.30 . 1 . . . . . 110 Glu C . 16808 1
624 . 1 . 1 60 60 GLU CA C 13 58.420 0.30 . 1 . . . . . 110 Glu CA . 16808 1
625 . 1 . 1 60 60 GLU CB C 13 29.824 0.30 . 1 . . . . . 110 Glu CB . 16808 1
626 . 1 . 1 60 60 GLU CG C 13 36.480 0.30 . 1 . . . . . 110 Glu CG . 16808 1
627 . 1 . 1 60 60 GLU N N 15 121.832 0.30 . 1 . . . . . 110 Glu N . 16808 1
628 . 1 . 1 61 61 ARG H H 1 8.004 0.03 . 1 . . . . . 111 Arg H . 16808 1
629 . 1 . 1 61 61 ARG HA H 1 4.177 0.03 . 1 . . . . . 111 Arg HA . 16808 1
630 . 1 . 1 61 61 ARG HB2 H 1 1.880 0.03 . 2 . . . . . 111 Arg HB2 . 16808 1
631 . 1 . 1 61 61 ARG HB3 H 1 1.880 0.03 . 2 . . . . . 111 Arg HB3 . 16808 1
632 . 1 . 1 61 61 ARG HD2 H 1 3.193 0.03 . 2 . . . . . 111 Arg HD2 . 16808 1
633 . 1 . 1 61 61 ARG HD3 H 1 3.193 0.03 . 2 . . . . . 111 Arg HD3 . 16808 1
634 . 1 . 1 61 61 ARG HG2 H 1 1.716 0.03 . 2 . . . . . 111 Arg HG2 . 16808 1
635 . 1 . 1 61 61 ARG HG3 H 1 1.628 0.03 . 2 . . . . . 111 Arg HG3 . 16808 1
636 . 1 . 1 61 61 ARG C C 13 177.374 0.30 . 1 . . . . . 111 Arg C . 16808 1
637 . 1 . 1 61 61 ARG CA C 13 57.932 0.30 . 1 . . . . . 111 Arg CA . 16808 1
638 . 1 . 1 61 61 ARG CB C 13 30.343 0.30 . 1 . . . . . 111 Arg CB . 16808 1
639 . 1 . 1 61 61 ARG CD C 13 43.496 0.30 . 1 . . . . . 111 Arg CD . 16808 1
640 . 1 . 1 61 61 ARG CG C 13 27.463 0.30 . 1 . . . . . 111 Arg CG . 16808 1
641 . 1 . 1 61 61 ARG N N 15 119.807 0.30 . 1 . . . . . 111 Arg N . 16808 1
642 . 1 . 1 62 62 ASN H H 1 8.180 0.03 . 1 . . . . . 112 Asn H . 16808 1
643 . 1 . 1 62 62 ASN HA H 1 4.676 0.03 . 1 . . . . . 112 Asn HA . 16808 1
644 . 1 . 1 62 62 ASN HB2 H 1 2.886 0.03 . 2 . . . . . 112 Asn HB2 . 16808 1
645 . 1 . 1 62 62 ASN HB3 H 1 2.791 0.03 . 2 . . . . . 112 Asn HB3 . 16808 1
646 . 1 . 1 62 62 ASN HD21 H 1 7.653 0.03 . 2 . . . . . 112 Asn HD21 . 16808 1
647 . 1 . 1 62 62 ASN HD22 H 1 7.006 0.03 . 2 . . . . . 112 Asn HD22 . 16808 1
648 . 1 . 1 62 62 ASN C C 13 175.247 0.30 . 1 . . . . . 112 Asn C . 16808 1
649 . 1 . 1 62 62 ASN CA C 13 53.840 0.30 . 1 . . . . . 112 Asn CA . 16808 1
650 . 1 . 1 62 62 ASN CB C 13 38.951 0.30 . 1 . . . . . 112 Asn CB . 16808 1
651 . 1 . 1 62 62 ASN N N 15 118.020 0.30 . 1 . . . . . 112 Asn N . 16808 1
652 . 1 . 1 62 62 ASN ND2 N 15 112.959 0.30 . 1 . . . . . 112 Asn ND2 . 16808 1
653 . 1 . 1 63 63 ALA H H 1 7.965 0.03 . 1 . . . . . 113 Ala H . 16808 1
654 . 1 . 1 63 63 ALA HA H 1 4.316 0.03 . 1 . . . . . 113 Ala HA . 16808 1
655 . 1 . 1 63 63 ALA HB1 H 1 1.433 0.03 . 1 . . . . . 113 Ala HB . 16808 1
656 . 1 . 1 63 63 ALA HB2 H 1 1.433 0.03 . 1 . . . . . 113 Ala HB . 16808 1
657 . 1 . 1 63 63 ALA HB3 H 1 1.433 0.03 . 1 . . . . . 113 Ala HB . 16808 1
658 . 1 . 1 63 63 ALA C C 13 177.621 0.30 . 1 . . . . . 113 Ala C . 16808 1
659 . 1 . 1 63 63 ALA CA C 13 53.018 0.30 . 1 . . . . . 113 Ala CA . 16808 1
660 . 1 . 1 63 63 ALA CB C 13 19.092 0.30 . 1 . . . . . 113 Ala CB . 16808 1
661 . 1 . 1 63 63 ALA N N 15 123.279 0.30 . 1 . . . . . 113 Ala N . 16808 1
662 . 1 . 1 64 64 ARG H H 1 8.087 0.03 . 1 . . . . . 114 Arg H . 16808 1
663 . 1 . 1 64 64 ARG HA H 1 4.424 0.03 . 1 . . . . . 114 Arg HA . 16808 1
664 . 1 . 1 64 64 ARG HB2 H 1 1.948 0.03 . 2 . . . . . 114 Arg HB2 . 16808 1
665 . 1 . 1 64 64 ARG HB3 H 1 1.809 0.03 . 2 . . . . . 114 Arg HB3 . 16808 1
666 . 1 . 1 64 64 ARG HD2 H 1 3.210 0.03 . 2 . . . . . 114 Arg HD2 . 16808 1
667 . 1 . 1 64 64 ARG HD3 H 1 3.210 0.03 . 2 . . . . . 114 Arg HD3 . 16808 1
668 . 1 . 1 64 64 ARG HG2 H 1 1.713 0.03 . 2 . . . . . 114 Arg HG2 . 16808 1
669 . 1 . 1 64 64 ARG HG3 H 1 1.684 0.03 . 2 . . . . . 114 Arg HG3 . 16808 1
670 . 1 . 1 64 64 ARG C C 13 175.610 0.30 . 1 . . . . . 114 Arg C . 16808 1
671 . 1 . 1 64 64 ARG CA C 13 56.094 0.30 . 1 . . . . . 114 Arg CA . 16808 1
672 . 1 . 1 64 64 ARG CB C 13 30.945 0.30 . 1 . . . . . 114 Arg CB . 16808 1
673 . 1 . 1 64 64 ARG CD C 13 43.487 0.30 . 1 . . . . . 114 Arg CD . 16808 1
674 . 1 . 1 64 64 ARG CG C 13 27.166 0.30 . 1 . . . . . 114 Arg CG . 16808 1
675 . 1 . 1 64 64 ARG N N 15 119.565 0.30 . 1 . . . . . 114 Arg N . 16808 1
676 . 1 . 1 65 65 SER H H 1 7.933 0.03 . 1 . . . . . 115 Ser H . 16808 1
677 . 1 . 1 65 65 SER HA H 1 4.282 0.03 . 1 . . . . . 115 Ser HA . 16808 1
678 . 1 . 1 65 65 SER HB2 H 1 3.877 0.03 . 2 . . . . . 115 Ser HB2 . 16808 1
679 . 1 . 1 65 65 SER HB3 H 1 3.877 0.03 . 2 . . . . . 115 Ser HB3 . 16808 1
680 . 1 . 1 65 65 SER C C 13 175.512 0.30 . 1 . . . . . 115 Ser C . 16808 1
681 . 1 . 1 65 65 SER CA C 13 60.195 0.30 . 1 . . . . . 115 Ser CA . 16808 1
682 . 1 . 1 65 65 SER CB C 13 64.872 0.30 . 1 . . . . . 115 Ser CB . 16808 1
683 . 1 . 1 65 65 SER N N 15 122.348 0.30 . 1 . . . . . 115 Ser N . 16808 1
stop_
save_