Content for NMR-STAR saveframe, "chemical_shift_list"
save_chemical_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_list
_Assigned_chem_shift_list.Entry_ID 18522
_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 $DSS
_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' . . . 18522 1
2 '2D 1H-13C HSQC' . . . 18522 1
3 '3D CBCA(CO)NH' . . . 18522 1
4 '3D HNCO' . . . 18522 1
5 '3D HNCA' . . . 18522 1
6 '3D HNCACB' . . . 18522 1
7 '3D HN(CO)CA' . . . 18522 1
8 '3D HCCH-TOCSY' . . . 18522 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 3 3 PRO C C 13 177.225 0.000 . 1 . . . . A 15 PRO C . 18522 1
2 . 1 1 3 3 PRO CA C 13 63.508 0.000 . 1 . . . . A 15 PRO CA . 18522 1
3 . 1 1 3 3 PRO CB C 13 32.090 0.000 . 1 . . . . A 15 PRO CB . 18522 1
4 . 1 1 4 4 GLY H H 1 8.489 0.003 . 1 . . . . A 16 GLY H . 18522 1
5 . 1 1 4 4 GLY HA2 H 1 3.947 0.017 . 2 . . . . A 16 GLY HA2 . 18522 1
6 . 1 1 4 4 GLY HA3 H 1 3.909 0.015 . . . . . . A 16 GLY HA3 . 18522 1
7 . 1 1 4 4 GLY C C 13 173.398 0.000 . 1 . . . . A 16 GLY C . 18522 1
8 . 1 1 4 4 GLY CA C 13 45.128 0.033 . 1 . . . . A 16 GLY CA . 18522 1
9 . 1 1 4 4 GLY N N 15 108.829 0.038 . 1 . . . . A 16 GLY N . 18522 1
10 . 1 1 5 5 ILE H H 1 8.014 0.004 . 1 . . . . A 17 ILE H . 18522 1
11 . 1 1 5 5 ILE HA H 1 4.554 0.005 . 1 . . . . A 17 ILE HA . 18522 1
12 . 1 1 5 5 ILE HB H 1 1.894 0.012 . 1 . . . . A 17 ILE HB . 18522 1
13 . 1 1 5 5 ILE HG12 H 1 1.509 0.026 . 2 . . . . A 17 ILE HG12 . 18522 1
14 . 1 1 5 5 ILE HG13 H 1 1.172 0.007 . 2 . . . . A 17 ILE HG13 . 18522 1
15 . 1 1 5 5 ILE HG21 H 1 0.955 0.020 . . . . . . A 17 ILE HG21 . 18522 1
16 . 1 1 5 5 ILE HG22 H 1 0.955 0.020 . . . . . . A 17 ILE HG22 . 18522 1
17 . 1 1 5 5 ILE HG23 H 1 0.955 0.020 . . . . . . A 17 ILE HG23 . 18522 1
18 . 1 1 5 5 ILE HD11 H 1 0.866 0.003 . . . . . . A 17 ILE HD11 . 18522 1
19 . 1 1 5 5 ILE HD12 H 1 0.866 0.003 . . . . . . A 17 ILE HD12 . 18522 1
20 . 1 1 5 5 ILE HD13 H 1 0.866 0.003 . . . . . . A 17 ILE HD13 . 18522 1
21 . 1 1 5 5 ILE C C 13 174.332 0.000 . 1 . . . . A 17 ILE C . 18522 1
22 . 1 1 5 5 ILE CA C 13 58.245 0.053 . 1 . . . . A 17 ILE CA . 18522 1
23 . 1 1 5 5 ILE CB C 13 38.762 0.051 . 1 . . . . A 17 ILE CB . 18522 1
24 . 1 1 5 5 ILE CG1 C 13 26.758 0.182 . 1 . . . . A 17 ILE CG1 . 18522 1
25 . 1 1 5 5 ILE CG2 C 13 16.942 0.129 . 1 . . . . A 17 ILE CG2 . 18522 1
26 . 1 1 5 5 ILE CD1 C 13 12.552 0.036 . 1 . . . . A 17 ILE CD1 . 18522 1
27 . 1 1 5 5 ILE N N 15 121.763 0.024 . 1 . . . . A 17 ILE N . 18522 1
28 . 1 1 6 6 PRO HB2 H 1 1.679 0.007 . 2 . . . . A 18 PRO HB2 . 18522 1
29 . 1 1 6 6 PRO HB3 H 1 2.137 0.006 . 2 . . . . A 18 PRO HB3 . 18522 1
30 . 1 1 6 6 PRO HG2 H 1 2.013 0.022 . 2 . . . . A 18 PRO HG2 . 18522 1
31 . 1 1 6 6 PRO HG3 H 1 2.002 0.035 . 2 . . . . A 18 PRO HG3 . 18522 1
32 . 1 1 6 6 PRO HD2 H 1 3.912 0.021 . 2 . . . . A 18 PRO HD2 . 18522 1
33 . 1 1 6 6 PRO HD3 H 1 3.737 0.033 . 2 . . . . A 18 PRO HD3 . 18522 1
34 . 1 1 6 6 PRO C C 13 176.437 0.000 . 1 . . . . A 18 PRO C . 18522 1
35 . 1 1 6 6 PRO CA C 13 62.667 0.000 . 1 . . . . A 18 PRO CA . 18522 1
36 . 1 1 6 6 PRO CB C 13 32.469 0.145 . 1 . . . . A 18 PRO CB . 18522 1
37 . 1 1 6 6 PRO CD C 13 51.014 0.058 . 1 . . . . A 18 PRO CD . 18522 1
38 . 1 1 7 7 VAL H H 1 8.754 0.002 . 1 . . . . A 19 VAL H . 18522 1
39 . 1 1 7 7 VAL HA H 1 4.550 0.023 . 1 . . . . A 19 VAL HA . 18522 1
40 . 1 1 7 7 VAL HB H 1 2.107 0.009 . 1 . . . . A 19 VAL HB . 18522 1
41 . 1 1 7 7 VAL HG21 H 1 1.003 0.008 . . . . . . A 19 VAL HG21 . 18522 1
42 . 1 1 7 7 VAL HG22 H 1 1.003 0.008 . . . . . . A 19 VAL HG22 . 18522 1
43 . 1 1 7 7 VAL HG23 H 1 1.003 0.008 . . . . . . A 19 VAL HG23 . 18522 1
44 . 1 1 7 7 VAL C C 13 174.453 0.000 . 1 . . . . A 19 VAL C . 18522 1
45 . 1 1 7 7 VAL CA C 13 59.846 0.126 . 1 . . . . A 19 VAL CA . 18522 1
46 . 1 1 7 7 VAL CB C 13 33.510 0.045 . 1 . . . . A 19 VAL CB . 18522 1
47 . 1 1 7 7 VAL CG2 C 13 21.087 0.161 . 2 . . . . A 19 VAL CG2 . 18522 1
48 . 1 1 7 7 VAL N N 15 123.849 0.039 . 1 . . . . A 19 VAL N . 18522 1
49 . 1 1 8 8 PRO HA H 1 5.338 0.003 . 1 . . . . A 20 PRO HA . 18522 1
50 . 1 1 8 8 PRO HB2 H 1 2.304 0.006 . 2 . . . . A 20 PRO HB2 . 18522 1
51 . 1 1 8 8 PRO HB3 H 1 1.890 0.004 . 2 . . . . A 20 PRO HB3 . 18522 1
52 . 1 1 8 8 PRO HG2 H 1 2.019 0.007 . 2 . . . . A 20 PRO HG2 . 18522 1
53 . 1 1 8 8 PRO HD2 H 1 3.820 0.010 . 2 . . . . A 20 PRO HD2 . 18522 1
54 . 1 1 8 8 PRO C C 13 177.585 0.000 . 1 . . . . A 20 PRO C . 18522 1
55 . 1 1 8 8 PRO CA C 13 62.406 0.059 . 1 . . . . A 20 PRO CA . 18522 1
56 . 1 1 8 8 PRO CB C 13 32.891 0.076 . 1 . . . . A 20 PRO CB . 18522 1
57 . 1 1 8 8 PRO CD C 13 51.603 0.000 . 1 . . . . A 20 PRO CD . 18522 1
58 . 1 1 9 9 GLY H H 1 8.258 0.005 . 1 . . . . A 21 GLY H . 18522 1
59 . 1 1 9 9 GLY HA2 H 1 4.048 0.008 . 2 . . . . A 21 GLY HA2 . 18522 1
60 . 1 1 9 9 GLY HA3 H 1 3.320 0.009 . . . . . . A 21 GLY HA3 . 18522 1
61 . 1 1 9 9 GLY C C 13 171.443 0.000 . 1 . . . . A 21 GLY C . 18522 1
62 . 1 1 9 9 GLY CA C 13 44.581 0.067 . 1 . . . . A 21 GLY CA . 18522 1
63 . 1 1 9 9 GLY N N 15 108.426 0.063 . 1 . . . . A 21 GLY N . 18522 1
64 . 1 1 10 10 LYS H H 1 8.175 0.005 . 1 . . . . A 22 LYS H . 18522 1
65 . 1 1 10 10 LYS HA H 1 4.039 0.000 . 1 . . . . A 22 LYS HA . 18522 1
66 . 1 1 10 10 LYS HG2 H 1 1.242 0.008 . 2 . . . . A 22 LYS HG2 . 18522 1
67 . 1 1 10 10 LYS C C 13 174.463 0.016 . 1 . . . . A 22 LYS C . 18522 1
68 . 1 1 10 10 LYS CA C 13 55.263 0.000 . 1 . . . . A 22 LYS CA . 18522 1
69 . 1 1 10 10 LYS CB C 13 35.227 0.012 . 1 . . . . A 22 LYS CB . 18522 1
70 . 1 1 10 10 LYS CG C 13 25.660 0.000 . 1 . . . . A 22 LYS CG . 18522 1
71 . 1 1 10 10 LYS N N 15 117.372 0.057 . 1 . . . . A 22 LYS N . 18522 1
72 . 1 1 11 11 VAL H H 1 8.862 0.010 . 1 . . . . A 23 VAL H . 18522 1
73 . 1 1 11 11 VAL HA H 1 4.708 0.003 . 1 . . . . A 23 VAL HA . 18522 1
74 . 1 1 11 11 VAL HB H 1 2.161 0.002 . 1 . . . . A 23 VAL HB . 18522 1
75 . 1 1 11 11 VAL HG11 H 1 0.944 0.010 . . . . . . A 23 VAL HG11 . 18522 1
76 . 1 1 11 11 VAL HG12 H 1 0.944 0.010 . . . . . . A 23 VAL HG12 . 18522 1
77 . 1 1 11 11 VAL HG13 H 1 0.944 0.010 . . . . . . A 23 VAL HG13 . 18522 1
78 . 1 1 11 11 VAL HG21 H 1 1.044 0.009 . . . . . . A 23 VAL HG21 . 18522 1
79 . 1 1 11 11 VAL HG22 H 1 1.044 0.009 . . . . . . A 23 VAL HG22 . 18522 1
80 . 1 1 11 11 VAL HG23 H 1 1.044 0.009 . . . . . . A 23 VAL HG23 . 18522 1
81 . 1 1 11 11 VAL C C 13 171.873 0.004 . 1 . . . . A 23 VAL C . 18522 1
82 . 1 1 11 11 VAL CA C 13 59.866 0.022 . 1 . . . . A 23 VAL CA . 18522 1
83 . 1 1 11 11 VAL CB C 13 35.269 0.041 . 1 . . . . A 23 VAL CB . 18522 1
84 . 1 1 11 11 VAL CG1 C 13 19.260 0.070 . 2 . . . . A 23 VAL CG1 . 18522 1
85 . 1 1 11 11 VAL CG2 C 13 21.529 0.029 . 2 . . . . A 23 VAL CG2 . 18522 1
86 . 1 1 11 11 VAL N N 15 120.387 0.033 . 1 . . . . A 23 VAL N . 18522 1
87 . 1 1 12 12 THR H H 1 8.859 0.006 . 1 . . . . A 24 THR H . 18522 1
88 . 1 1 12 12 THR HA H 1 5.121 0.047 . 1 . . . . A 24 THR HA . 18522 1
89 . 1 1 12 12 THR HB H 1 3.803 0.003 . 1 . . . . A 24 THR HB . 18522 1
90 . 1 1 12 12 THR HG21 H 1 1.000 0.019 . . . . . . A 24 THR HG21 . 18522 1
91 . 1 1 12 12 THR HG22 H 1 1.000 0.019 . . . . . . A 24 THR HG22 . 18522 1
92 . 1 1 12 12 THR HG23 H 1 1.000 0.019 . . . . . . A 24 THR HG23 . 18522 1
93 . 1 1 12 12 THR C C 13 173.407 0.000 . 1 . . . . A 24 THR C . 18522 1
94 . 1 1 12 12 THR CA C 13 62.115 0.004 . 1 . . . . A 24 THR CA . 18522 1
95 . 1 1 12 12 THR CB C 13 69.606 0.062 . 1 . . . . A 24 THR CB . 18522 1
96 . 1 1 12 12 THR N N 15 125.797 0.090 . 1 . . . . A 24 THR N . 18522 1
97 . 1 1 13 13 LEU H H 1 9.258 0.009 . 1 . . . . A 25 LEU H . 18522 1
98 . 1 1 13 13 LEU HA H 1 4.809 0.005 . 1 . . . . A 25 LEU HA . 18522 1
99 . 1 1 13 13 LEU HB2 H 1 1.250 0.012 . 2 . . . . A 25 LEU HB2 . 18522 1
100 . 1 1 13 13 LEU HB3 H 1 1.586 0.012 . 2 . . . . A 25 LEU HB3 . 18522 1
101 . 1 1 13 13 LEU HD11 H 1 0.773 0.011 . . . . . . A 25 LEU HD11 . 18522 1
102 . 1 1 13 13 LEU HD12 H 1 0.773 0.011 . . . . . . A 25 LEU HD12 . 18522 1
103 . 1 1 13 13 LEU HD13 H 1 0.773 0.011 . . . . . . A 25 LEU HD13 . 18522 1
104 . 1 1 13 13 LEU HD21 H 1 0.837 0.011 . . . . . . A 25 LEU HD21 . 18522 1
105 . 1 1 13 13 LEU HD22 H 1 0.837 0.011 . . . . . . A 25 LEU HD22 . 18522 1
106 . 1 1 13 13 LEU HD23 H 1 0.837 0.011 . . . . . . A 25 LEU HD23 . 18522 1
107 . 1 1 13 13 LEU C C 13 175.029 0.015 . 1 . . . . A 25 LEU C . 18522 1
108 . 1 1 13 13 LEU CA C 13 52.623 0.024 . 1 . . . . A 25 LEU CA . 18522 1
109 . 1 1 13 13 LEU CB C 13 46.242 0.108 . 1 . . . . A 25 LEU CB . 18522 1
110 . 1 1 13 13 LEU N N 15 127.960 0.029 . 1 . . . . A 25 LEU N . 18522 1
111 . 1 1 14 14 GLN H H 1 8.530 0.005 . 1 . . . . A 26 GLN H . 18522 1
112 . 1 1 14 14 GLN HA H 1 4.482 0.018 . 1 . . . . A 26 GLN HA . 18522 1
113 . 1 1 14 14 GLN HB2 H 1 2.089 0.004 . 2 . . . . A 26 GLN HB2 . 18522 1
114 . 1 1 14 14 GLN HB3 H 1 1.946 0.003 . 2 . . . . A 26 GLN HB3 . 18522 1
115 . 1 1 14 14 GLN HG2 H 1 2.422 0.004 . 2 . . . . A 26 GLN HG2 . 18522 1
116 . 1 1 14 14 GLN HE21 H 1 7.725 0.000 . 2 . . . . A 26 GLN HE21 . 18522 1
117 . 1 1 14 14 GLN HE22 H 1 7.019 0.003 . 2 . . . . A 26 GLN HE22 . 18522 1
118 . 1 1 14 14 GLN C C 13 174.515 0.000 . 1 . . . . A 26 GLN C . 18522 1
119 . 1 1 14 14 GLN CA C 13 54.576 0.056 . 1 . . . . A 26 GLN CA . 18522 1
120 . 1 1 14 14 GLN CB C 13 29.516 0.108 . 1 . . . . A 26 GLN CB . 18522 1
121 . 1 1 14 14 GLN CG C 13 33.976 0.044 . 1 . . . . A 26 GLN CG . 18522 1
122 . 1 1 14 14 GLN N N 15 120.858 0.032 . 1 . . . . A 26 GLN N . 18522 1
123 . 1 1 14 14 GLN NE2 N 15 113.374 0.059 . 1 . . . . A 26 GLN NE2 . 18522 1
124 . 1 1 15 15 LYS H H 1 8.099 0.005 . 1 . . . . A 27 LYS H . 18522 1
125 . 1 1 15 15 LYS HA H 1 4.180 0.004 . 1 . . . . A 27 LYS HA . 18522 1
126 . 1 1 15 15 LYS HB2 H 1 1.893 0.026 . 2 . . . . A 27 LYS HB2 . 18522 1
127 . 1 1 15 15 LYS HB3 H 1 1.607 0.004 . 2 . . . . A 27 LYS HB3 . 18522 1
128 . 1 1 15 15 LYS HG2 H 1 1.207 0.013 . 2 . . . . A 27 LYS HG2 . 18522 1
129 . 1 1 15 15 LYS HD2 H 1 1.571 0.011 . 2 . . . . A 27 LYS HD2 . 18522 1
130 . 1 1 15 15 LYS HD3 H 1 1.397 0.013 . 2 . . . . A 27 LYS HD3 . 18522 1
131 . 1 1 15 15 LYS HE2 H 1 2.742 0.000 . 2 . . . . A 27 LYS HE2 . 18522 1
132 . 1 1 15 15 LYS HE3 H 1 2.808 0.000 . 2 . . . . A 27 LYS HE3 . 18522 1
133 . 1 1 15 15 LYS C C 13 177.468 0.000 . 1 . . . . A 27 LYS C . 18522 1
134 . 1 1 15 15 LYS CA C 13 55.956 0.051 . 1 . . . . A 27 LYS CA . 18522 1
135 . 1 1 15 15 LYS CB C 13 34.099 0.079 . 1 . . . . A 27 LYS CB . 18522 1
136 . 1 1 15 15 LYS CD C 13 29.115 0.156 . 1 . . . . A 27 LYS CD . 18522 1
137 . 1 1 15 15 LYS N N 15 119.583 0.070 . 1 . . . . A 27 LYS N . 18522 1
138 . 1 1 16 16 ASP H H 1 8.888 0.005 . 1 . . . . A 28 ASP H . 18522 1
139 . 1 1 16 16 ASP HA H 1 4.590 0.034 . 1 . . . . A 28 ASP HA . 18522 1
140 . 1 1 16 16 ASP HB2 H 1 3.387 0.008 . 2 . . . . A 28 ASP HB2 . 18522 1
141 . 1 1 16 16 ASP HB3 H 1 2.542 0.010 . 2 . . . . A 28 ASP HB3 . 18522 1
142 . 1 1 16 16 ASP C C 13 178.392 0.000 . 1 . . . . A 28 ASP C . 18522 1
143 . 1 1 16 16 ASP CA C 13 52.426 0.029 . 1 . . . . A 28 ASP CA . 18522 1
144 . 1 1 16 16 ASP CB C 13 41.377 0.045 . 1 . . . . A 28 ASP CB . 18522 1
145 . 1 1 16 16 ASP N N 15 121.439 0.064 . 1 . . . . A 28 ASP N . 18522 1
146 . 1 1 17 17 ALA H H 1 8.392 0.005 . 1 . . . . A 29 ALA H . 18522 1
147 . 1 1 17 17 ALA HA H 1 4.188 0.006 . 1 . . . . A 29 ALA HA . 18522 1
148 . 1 1 17 17 ALA HB1 H 1 1.471 0.004 . . . . . . A 29 ALA HB1 . 18522 1
149 . 1 1 17 17 ALA HB2 H 1 1.471 0.004 . . . . . . A 29 ALA HB2 . 18522 1
150 . 1 1 17 17 ALA HB3 H 1 1.471 0.004 . . . . . . A 29 ALA HB3 . 18522 1
151 . 1 1 17 17 ALA C C 13 178.763 0.000 . 1 . . . . A 29 ALA C . 18522 1
152 . 1 1 17 17 ALA CA C 13 54.434 0.034 . 1 . . . . A 29 ALA CA . 18522 1
153 . 1 1 17 17 ALA CB C 13 18.293 0.096 . 1 . . . . A 29 ALA CB . 18522 1
154 . 1 1 17 17 ALA N N 15 119.578 0.053 . 1 . . . . A 29 ALA N . 18522 1
155 . 1 1 18 18 GLN H H 1 8.353 0.011 . 1 . . . . A 30 GLN H . 18522 1
156 . 1 1 18 18 GLN HA H 1 4.399 0.009 . 1 . . . . A 30 GLN HA . 18522 1
157 . 1 1 18 18 GLN HB2 H 1 2.300 0.005 . 2 . . . . A 30 GLN HB2 . 18522 1
158 . 1 1 18 18 GLN HB3 H 1 2.128 0.008 . 2 . . . . A 30 GLN HB3 . 18522 1
159 . 1 1 18 18 GLN HG2 H 1 2.324 0.008 . 2 . . . . A 30 GLN HG2 . 18522 1
160 . 1 1 18 18 GLN HE21 H 1 7.556 0.005 . 2 . . . . A 30 GLN HE21 . 18522 1
161 . 1 1 18 18 GLN HE22 H 1 6.947 0.003 . 2 . . . . A 30 GLN HE22 . 18522 1
162 . 1 1 18 18 GLN C C 13 175.168 0.000 . 1 . . . . A 30 GLN C . 18522 1
163 . 1 1 18 18 GLN CA C 13 55.339 0.069 . 1 . . . . A 30 GLN CA . 18522 1
164 . 1 1 18 18 GLN CB C 13 28.589 0.052 . 1 . . . . A 30 GLN CB . 18522 1
165 . 1 1 18 18 GLN CG C 13 34.839 0.036 . 1 . . . . A 30 GLN CG . 18522 1
166 . 1 1 18 18 GLN N N 15 117.564 0.113 . 1 . . . . A 30 GLN N . 18522 1
167 . 1 1 18 18 GLN NE2 N 15 112.871 0.091 . 1 . . . . A 30 GLN NE2 . 18522 1
168 . 1 1 19 19 ASN H H 1 8.521 0.006 . 1 . . . . A 31 ASN H . 18522 1
169 . 1 1 19 19 ASN HA H 1 4.315 0.005 . 1 . . . . A 31 ASN HA . 18522 1
170 . 1 1 19 19 ASN HB2 H 1 2.528 0.003 . 2 . . . . A 31 ASN HB2 . 18522 1
171 . 1 1 19 19 ASN HB3 H 1 3.536 0.008 . 2 . . . . A 31 ASN HB3 . 18522 1
172 . 1 1 19 19 ASN HD21 H 1 7.468 0.007 . 2 . . . . A 31 ASN HD21 . 18522 1
173 . 1 1 19 19 ASN HD22 H 1 7.869 0.002 . 2 . . . . A 31 ASN HD22 . 18522 1
174 . 1 1 19 19 ASN C C 13 174.043 0.000 . 1 . . . . A 31 ASN C . 18522 1
175 . 1 1 19 19 ASN CA C 13 54.303 0.076 . 1 . . . . A 31 ASN CA . 18522 1
176 . 1 1 19 19 ASN CB C 13 37.610 0.034 . 1 . . . . A 31 ASN CB . 18522 1
177 . 1 1 19 19 ASN N N 15 115.365 0.032 . 1 . . . . A 31 ASN N . 18522 1
178 . 1 1 19 19 ASN ND2 N 15 113.103 0.141 . 1 . . . . A 31 ASN ND2 . 18522 1
179 . 1 1 20 20 LEU H H 1 8.155 0.008 . 1 . . . . A 32 LEU H . 18522 1
180 . 1 1 20 20 LEU HA H 1 4.900 0.016 . 1 . . . . A 32 LEU HA . 18522 1
181 . 1 1 20 20 LEU HB2 H 1 1.268 0.008 . 2 . . . . A 32 LEU HB2 . 18522 1
182 . 1 1 20 20 LEU HB3 H 1 1.938 0.011 . 2 . . . . A 32 LEU HB3 . 18522 1
183 . 1 1 20 20 LEU HG H 1 1.500 0.004 . 1 . . . . A 32 LEU HG . 18522 1
184 . 1 1 20 20 LEU HD11 H 1 0.787 0.004 . . . . . . A 32 LEU HD11 . 18522 1
185 . 1 1 20 20 LEU HD12 H 1 0.787 0.004 . . . . . . A 32 LEU HD12 . 18522 1
186 . 1 1 20 20 LEU HD13 H 1 0.787 0.004 . . . . . . A 32 LEU HD13 . 18522 1
187 . 1 1 20 20 LEU HD21 H 1 0.780 0.005 . . . . . . A 32 LEU HD21 . 18522 1
188 . 1 1 20 20 LEU HD22 H 1 0.780 0.005 . . . . . . A 32 LEU HD22 . 18522 1
189 . 1 1 20 20 LEU HD23 H 1 0.780 0.005 . . . . . . A 32 LEU HD23 . 18522 1
190 . 1 1 20 20 LEU C C 13 178.117 0.000 . 1 . . . . A 32 LEU C . 18522 1
191 . 1 1 20 20 LEU CA C 13 53.957 0.007 . 1 . . . . A 32 LEU CA . 18522 1
192 . 1 1 20 20 LEU CB C 13 44.774 0.090 . 1 . . . . A 32 LEU CB . 18522 1
193 . 1 1 20 20 LEU CD1 C 13 23.014 0.079 . 2 . . . . A 32 LEU CD1 . 18522 1
194 . 1 1 20 20 LEU N N 15 118.660 0.055 . 1 . . . . A 32 LEU N . 18522 1
195 . 1 1 21 21 ILE H H 1 11.488 0.007 . 1 . . . . A 33 ILE H . 18522 1
196 . 1 1 21 21 ILE HA H 1 4.674 0.006 . 1 . . . . A 33 ILE HA . 18522 1
197 . 1 1 21 21 ILE HB H 1 1.950 0.015 . 1 . . . . A 33 ILE HB . 18522 1
198 . 1 1 21 21 ILE HG12 H 1 1.541 0.024 . 2 . . . . A 33 ILE HG12 . 18522 1
199 . 1 1 21 21 ILE HG13 H 1 1.497 0.014 . 2 . . . . A 33 ILE HG13 . 18522 1
200 . 1 1 21 21 ILE HG21 H 1 0.774 0.015 . . . . . . A 33 ILE HG21 . 18522 1
201 . 1 1 21 21 ILE HG22 H 1 0.774 0.015 . . . . . . A 33 ILE HG22 . 18522 1
202 . 1 1 21 21 ILE HG23 H 1 0.774 0.015 . . . . . . A 33 ILE HG23 . 18522 1
203 . 1 1 21 21 ILE HD11 H 1 0.725 0.031 . . . . . . A 33 ILE HD11 . 18522 1
204 . 1 1 21 21 ILE HD12 H 1 0.725 0.031 . . . . . . A 33 ILE HD12 . 18522 1
205 . 1 1 21 21 ILE HD13 H 1 0.725 0.031 . . . . . . A 33 ILE HD13 . 18522 1
206 . 1 1 21 21 ILE C C 13 176.185 0.000 . 1 . . . . A 33 ILE C . 18522 1
207 . 1 1 21 21 ILE CA C 13 62.602 0.156 . 1 . . . . A 33 ILE CA . 18522 1
208 . 1 1 21 21 ILE CB C 13 39.016 0.039 . 1 . . . . A 33 ILE CB . 18522 1
209 . 1 1 21 21 ILE CG1 C 13 25.913 0.204 . 1 . . . . A 33 ILE CG1 . 18522 1
210 . 1 1 21 21 ILE CG2 C 13 19.728 0.078 . 1 . . . . A 33 ILE CG2 . 18522 1
211 . 1 1 21 21 ILE CD1 C 13 13.994 0.172 . 1 . . . . A 33 ILE CD1 . 18522 1
212 . 1 1 21 21 ILE N N 15 116.785 0.080 . 1 . . . . A 33 ILE N . 18522 1
213 . 1 1 22 22 GLY H H 1 9.854 0.009 . 1 . . . . A 34 GLY H . 18522 1
214 . 1 1 22 22 GLY HA2 H 1 3.787 0.006 . 2 . . . . A 34 GLY HA2 . 18522 1
215 . 1 1 22 22 GLY HA3 H 1 5.199 0.003 . . . . . . A 34 GLY HA3 . 18522 1
216 . 1 1 22 22 GLY C C 13 173.993 0.000 . 1 . . . . A 34 GLY C . 18522 1
217 . 1 1 22 22 GLY CA C 13 45.980 0.014 . 1 . . . . A 34 GLY CA . 18522 1
218 . 1 1 22 22 GLY N N 15 111.234 0.050 . 1 . . . . A 34 GLY N . 18522 1
219 . 1 1 23 23 ILE H H 1 7.835 0.006 . 1 . . . . A 35 ILE H . 18522 1
220 . 1 1 23 23 ILE HA H 1 5.535 0.012 . 1 . . . . A 35 ILE HA . 18522 1
221 . 1 1 23 23 ILE HB H 1 2.018 0.022 . 1 . . . . A 35 ILE HB . 18522 1
222 . 1 1 23 23 ILE HG12 H 1 1.269 0.011 . 2 . . . . A 35 ILE HG12 . 18522 1
223 . 1 1 23 23 ILE HG13 H 1 1.140 0.005 . 2 . . . . A 35 ILE HG13 . 18522 1
224 . 1 1 23 23 ILE HG21 H 1 0.709 0.028 . . . . . . A 35 ILE HG21 . 18522 1
225 . 1 1 23 23 ILE HG22 H 1 0.709 0.028 . . . . . . A 35 ILE HG22 . 18522 1
226 . 1 1 23 23 ILE HG23 H 1 0.709 0.028 . . . . . . A 35 ILE HG23 . 18522 1
227 . 1 1 23 23 ILE HD11 H 1 0.597 0.031 . . . . . . A 35 ILE HD11 . 18522 1
228 . 1 1 23 23 ILE HD12 H 1 0.597 0.031 . . . . . . A 35 ILE HD12 . 18522 1
229 . 1 1 23 23 ILE HD13 H 1 0.597 0.031 . . . . . . A 35 ILE HD13 . 18522 1
230 . 1 1 23 23 ILE C C 13 175.033 0.000 . 1 . . . . A 35 ILE C . 18522 1
231 . 1 1 23 23 ILE CA C 13 58.415 0.088 . 1 . . . . A 35 ILE CA . 18522 1
232 . 1 1 23 23 ILE CB C 13 41.577 0.046 . 1 . . . . A 35 ILE CB . 18522 1
233 . 1 1 23 23 ILE CG1 C 13 26.068 0.098 . 1 . . . . A 35 ILE CG1 . 18522 1
234 . 1 1 23 23 ILE CG2 C 13 17.968 0.056 . 1 . . . . A 35 ILE CG2 . 18522 1
235 . 1 1 23 23 ILE CD1 C 13 13.414 0.065 . 1 . . . . A 35 ILE CD1 . 18522 1
236 . 1 1 23 23 ILE N N 15 111.117 0.040 . 1 . . . . A 35 ILE N . 18522 1
237 . 1 1 24 24 SER H H 1 8.623 0.007 . 1 . . . . A 36 SER H . 18522 1
238 . 1 1 24 24 SER HA H 1 4.232 0.022 . 1 . . . . A 36 SER HA . 18522 1
239 . 1 1 24 24 SER HG H 1 5.907 0.006 . 1 . . . . A 36 SER HG . 18522 1
240 . 1 1 24 24 SER C C 13 174.735 0.000 . 1 . . . . A 36 SER C . 18522 1
241 . 1 1 24 24 SER CA C 13 56.121 0.022 . 1 . . . . A 36 SER CA . 18522 1
242 . 1 1 24 24 SER CB C 13 66.097 0.044 . 1 . . . . A 36 SER CB . 18522 1
243 . 1 1 24 24 SER N N 15 114.908 0.066 . 1 . . . . A 36 SER N . 18522 1
244 . 1 1 25 25 ILE H H 1 9.130 0.011 . 1 . . . . A 37 ILE H . 18522 1
245 . 1 1 25 25 ILE C C 13 174.340 0.000 . 1 . . . . A 37 ILE C . 18522 1
246 . 1 1 25 25 ILE CA C 13 59.123 0.004 . 1 . . . . A 37 ILE CA . 18522 1
247 . 1 1 25 25 ILE CB C 13 41.637 0.000 . 1 . . . . A 37 ILE CB . 18522 1
248 . 1 1 25 25 ILE N N 15 117.739 0.044 . 1 . . . . A 37 ILE N . 18522 1
249 . 1 1 26 26 GLY H H 1 8.841 0.008 . 1 . . . . A 38 GLY H . 18522 1
250 . 1 1 26 26 GLY HA2 H 1 3.625 0.014 . 2 . . . . A 38 GLY HA2 . 18522 1
251 . 1 1 26 26 GLY HA3 H 1 4.747 0.006 . . . . . . A 38 GLY HA3 . 18522 1
252 . 1 1 26 26 GLY CA C 13 44.112 0.018 . 1 . . . . A 38 GLY CA . 18522 1
253 . 1 1 26 26 GLY N N 15 108.069 0.073 . 1 . . . . A 38 GLY N . 18522 1
254 . 1 1 27 27 GLY H H 1 8.187 0.000 . 1 . . . . A 39 GLY H . 18522 1
255 . 1 1 27 27 GLY C C 13 173.956 0.000 . 1 . . . . A 39 GLY C . 18522 1
256 . 1 1 27 27 GLY N N 15 109.016 0.000 . 1 . . . . A 39 GLY N . 18522 1
257 . 1 1 28 28 GLY H H 1 8.275 0.008 . 1 . . . . A 40 GLY H . 18522 1
258 . 1 1 28 28 GLY HA2 H 1 3.768 0.030 . 2 . . . . A 40 GLY HA2 . 18522 1
259 . 1 1 28 28 GLY HA3 H 1 3.947 0.009 . . . . . . A 40 GLY HA3 . 18522 1
260 . 1 1 28 28 GLY C C 13 174.255 0.000 . 1 . . . . A 40 GLY C . 18522 1
261 . 1 1 28 28 GLY CA C 13 47.098 0.076 . 1 . . . . A 40 GLY CA . 18522 1
262 . 1 1 28 28 GLY N N 15 111.783 0.031 . 1 . . . . A 40 GLY N . 18522 1
263 . 1 1 29 29 ALA H H 1 8.012 0.006 . 1 . . . . A 41 ALA H . 18522 1
264 . 1 1 29 29 ALA HA H 1 4.559 0.006 . 1 . . . . A 41 ALA HA . 18522 1
265 . 1 1 29 29 ALA HB1 H 1 1.020 0.005 . . . . . . A 41 ALA HB1 . 18522 1
266 . 1 1 29 29 ALA HB2 H 1 1.020 0.005 . . . . . . A 41 ALA HB2 . 18522 1
267 . 1 1 29 29 ALA HB3 H 1 1.020 0.005 . . . . . . A 41 ALA HB3 . 18522 1
268 . 1 1 29 29 ALA CA C 13 51.073 0.086 . 1 . . . . A 41 ALA CA . 18522 1
269 . 1 1 29 29 ALA CB C 13 21.926 0.016 . 1 . . . . A 41 ALA CB . 18522 1
270 . 1 1 29 29 ALA N N 15 123.128 0.055 . 1 . . . . A 41 ALA N . 18522 1
271 . 1 1 30 30 GLN HE21 H 1 6.862 0.000 . 2 . . . . A 42 GLN HE21 . 18522 1
272 . 1 1 30 30 GLN NE2 N 15 112.363 0.000 . 1 . . . . A 42 GLN NE2 . 18522 1
273 . 1 1 31 31 TYR HA H 1 4.549 0.006 . 1 . . . . A 43 TYR HA . 18522 1
274 . 1 1 31 31 TYR HB2 H 1 3.085 0.009 . 2 . . . . A 43 TYR HB2 . 18522 1
275 . 1 1 31 31 TYR HB3 H 1 3.258 0.007 . 2 . . . . A 43 TYR HB3 . 18522 1
276 . 1 1 31 31 TYR CA C 13 57.147 0.033 . 1 . . . . A 43 TYR CA . 18522 1
277 . 1 1 31 31 TYR CB C 13 37.495 0.119 . 1 . . . . A 43 TYR CB . 18522 1
278 . 1 1 32 32 CYS H H 1 7.504 0.010 . 1 . . . . A 44 CYS H . 18522 1
279 . 1 1 32 32 CYS HA H 1 4.859 0.002 . 1 . . . . A 44 CYS HA . 18522 1
280 . 1 1 32 32 CYS HB2 H 1 2.855 0.008 . 2 . . . . A 44 CYS HB2 . 18522 1
281 . 1 1 32 32 CYS HB3 H 1 2.934 0.005 . 2 . . . . A 44 CYS HB3 . 18522 1
282 . 1 1 32 32 CYS CA C 13 57.406 0.019 . 1 . . . . A 44 CYS CA . 18522 1
283 . 1 1 32 32 CYS CB C 13 27.673 0.042 . 1 . . . . A 44 CYS CB . 18522 1
284 . 1 1 32 32 CYS N N 15 119.332 0.157 . 1 . . . . A 44 CYS N . 18522 1
285 . 1 1 33 33 PRO HA H 1 4.413 0.007 . 1 . . . . A 45 PRO HA . 18522 1
286 . 1 1 33 33 PRO HB2 H 1 2.039 0.002 . 2 . . . . A 45 PRO HB2 . 18522 1
287 . 1 1 33 33 PRO HB3 H 1 2.308 0.002 . 2 . . . . A 45 PRO HB3 . 18522 1
288 . 1 1 33 33 PRO HG2 H 1 2.083 0.024 . 2 . . . . A 45 PRO HG2 . 18522 1
289 . 1 1 33 33 PRO HG3 H 1 1.917 0.036 . 2 . . . . A 45 PRO HG3 . 18522 1
290 . 1 1 33 33 PRO HD2 H 1 3.962 0.026 . 2 . . . . A 45 PRO HD2 . 18522 1
291 . 1 1 33 33 PRO CA C 13 64.885 0.106 . 1 . . . . A 45 PRO CA . 18522 1
292 . 1 1 33 33 PRO CB C 13 32.318 0.000 . 1 . . . . A 45 PRO CB . 18522 1
293 . 1 1 33 33 PRO CG C 13 27.838 0.000 . 1 . . . . A 45 PRO CG . 18522 1
294 . 1 1 33 33 PRO CD C 13 50.569 0.000 . 1 . . . . A 45 PRO CD . 18522 1
295 . 1 1 34 34 CYS H H 1 7.973 0.004 . 1 . . . . A 46 CYS H . 18522 1
296 . 1 1 34 34 CYS C C 13 172.064 0.000 . 1 . . . . A 46 CYS C . 18522 1
297 . 1 1 34 34 CYS CA C 13 60.066 0.046 . 1 . . . . A 46 CYS CA . 18522 1
298 . 1 1 34 34 CYS CB C 13 28.715 0.007 . 1 . . . . A 46 CYS CB . 18522 1
299 . 1 1 34 34 CYS N N 15 117.327 0.155 . 1 . . . . A 46 CYS N . 18522 1
300 . 1 1 35 35 LEU H H 1 8.629 0.005 . 1 . . . . A 47 LEU H . 18522 1
301 . 1 1 35 35 LEU HA H 1 4.928 0.025 . 1 . . . . A 47 LEU HA . 18522 1
302 . 1 1 35 35 LEU HG H 1 1.545 0.005 . 1 . . . . A 47 LEU HG . 18522 1
303 . 1 1 35 35 LEU HD11 H 1 0.782 0.007 . . . . . . A 47 LEU HD11 . 18522 1
304 . 1 1 35 35 LEU HD12 H 1 0.782 0.007 . . . . . . A 47 LEU HD12 . 18522 1
305 . 1 1 35 35 LEU HD13 H 1 0.782 0.007 . . . . . . A 47 LEU HD13 . 18522 1
306 . 1 1 35 35 LEU HD21 H 1 0.894 0.012 . . . . . . A 47 LEU HD21 . 18522 1
307 . 1 1 35 35 LEU HD22 H 1 0.894 0.012 . . . . . . A 47 LEU HD22 . 18522 1
308 . 1 1 35 35 LEU HD23 H 1 0.894 0.012 . . . . . . A 47 LEU HD23 . 18522 1
309 . 1 1 35 35 LEU C C 13 175.076 0.000 . 1 . . . . A 47 LEU C . 18522 1
310 . 1 1 35 35 LEU CA C 13 53.278 0.032 . 1 . . . . A 47 LEU CA . 18522 1
311 . 1 1 35 35 LEU CB C 13 44.321 0.051 . 1 . . . . A 47 LEU CB . 18522 1
312 . 1 1 35 35 LEU CG C 13 27.388 0.167 . 1 . . . . A 47 LEU CG . 18522 1
313 . 1 1 35 35 LEU CD1 C 13 24.970 0.045 . 2 . . . . A 47 LEU CD1 . 18522 1
314 . 1 1 35 35 LEU N N 15 124.270 0.061 . 1 . . . . A 47 LEU N . 18522 1
315 . 1 1 36 36 TYR H H 1 8.761 0.005 . 1 . . . . A 48 TYR H . 18522 1
316 . 1 1 36 36 TYR HA H 1 5.255 0.006 . 1 . . . . A 48 TYR HA . 18522 1
317 . 1 1 36 36 TYR HB2 H 1 2.131 0.017 . 2 . . . . A 48 TYR HB2 . 18522 1
318 . 1 1 36 36 TYR HB3 H 1 2.720 0.006 . 2 . . . . A 48 TYR HB3 . 18522 1
319 . 1 1 36 36 TYR HD1 H 1 6.969 0.000 . 3 . . . . A 48 TYR HD1 . 18522 1
320 . 1 1 36 36 TYR HD2 H 1 6.969 0.000 . 3 . . . . A 48 TYR HD2 . 18522 1
321 . 1 1 36 36 TYR HE1 H 1 6.775 0.000 . 3 . . . . A 48 TYR HE1 . 18522 1
322 . 1 1 36 36 TYR HE2 H 1 6.775 0.000 . 3 . . . . A 48 TYR HE2 . 18522 1
323 . 1 1 36 36 TYR C C 13 175.766 0.000 . 1 . . . . A 48 TYR C . 18522 1
324 . 1 1 36 36 TYR CA C 13 56.696 0.044 . 1 . . . . A 48 TYR CA . 18522 1
325 . 1 1 36 36 TYR CB C 13 42.590 0.034 . 1 . . . . A 48 TYR CB . 18522 1
326 . 1 1 36 36 TYR N N 15 119.326 0.075 . 1 . . . . A 48 TYR N . 18522 1
327 . 1 1 37 37 ILE H H 1 8.959 0.007 . 1 . . . . A 49 ILE H . 18522 1
328 . 1 1 37 37 ILE HA H 1 4.215 0.007 . 1 . . . . A 49 ILE HA . 18522 1
329 . 1 1 37 37 ILE HB H 1 2.020 0.003 . 1 . . . . A 49 ILE HB . 18522 1
330 . 1 1 37 37 ILE HG12 H 1 1.755 0.012 . 2 . . . . A 49 ILE HG12 . 18522 1
331 . 1 1 37 37 ILE HG13 H 1 0.774 0.009 . 2 . . . . A 49 ILE HG13 . 18522 1
332 . 1 1 37 37 ILE HG21 H 1 0.663 0.008 . . . . . . A 49 ILE HG21 . 18522 1
333 . 1 1 37 37 ILE HG22 H 1 0.663 0.008 . . . . . . A 49 ILE HG22 . 18522 1
334 . 1 1 37 37 ILE HG23 H 1 0.663 0.008 . . . . . . A 49 ILE HG23 . 18522 1
335 . 1 1 37 37 ILE HD11 H 1 0.546 0.007 . . . . . . A 49 ILE HD11 . 18522 1
336 . 1 1 37 37 ILE HD12 H 1 0.546 0.007 . . . . . . A 49 ILE HD12 . 18522 1
337 . 1 1 37 37 ILE HD13 H 1 0.546 0.007 . . . . . . A 49 ILE HD13 . 18522 1
338 . 1 1 37 37 ILE C C 13 177.429 0.000 . 1 . . . . A 49 ILE C . 18522 1
339 . 1 1 37 37 ILE CA C 13 62.456 0.130 . 1 . . . . A 49 ILE CA . 18522 1
340 . 1 1 37 37 ILE CB C 13 37.352 0.079 . 1 . . . . A 49 ILE CB . 18522 1
341 . 1 1 37 37 ILE CD1 C 13 17.025 0.146 . 1 . . . . A 49 ILE CD1 . 18522 1
342 . 1 1 37 37 ILE N N 15 120.259 0.066 . 1 . . . . A 49 ILE N . 18522 1
343 . 1 1 38 38 VAL HA H 1 3.937 0.001 . 1 . . . . A 50 VAL HA . 18522 1
344 . 1 1 38 38 VAL HB H 1 1.994 0.016 . 1 . . . . A 50 VAL HB . 18522 1
345 . 1 1 38 38 VAL HG11 H 1 0.972 0.004 . . . . . . A 50 VAL HG11 . 18522 1
346 . 1 1 38 38 VAL HG12 H 1 0.972 0.004 . . . . . . A 50 VAL HG12 . 18522 1
347 . 1 1 38 38 VAL HG13 H 1 0.972 0.004 . . . . . . A 50 VAL HG13 . 18522 1
348 . 1 1 38 38 VAL HG21 H 1 1.109 0.004 . . . . . . A 50 VAL HG21 . 18522 1
349 . 1 1 38 38 VAL HG22 H 1 1.109 0.004 . . . . . . A 50 VAL HG22 . 18522 1
350 . 1 1 38 38 VAL HG23 H 1 1.109 0.004 . . . . . . A 50 VAL HG23 . 18522 1
351 . 1 1 38 38 VAL C C 13 174.408 0.000 . 1 . . . . A 50 VAL C . 18522 1
352 . 1 1 38 38 VAL CA C 13 62.259 0.115 . 1 . . . . A 50 VAL CA . 18522 1
353 . 1 1 38 38 VAL CB C 13 31.584 0.039 . 1 . . . . A 50 VAL CB . 18522 1
354 . 1 1 38 38 VAL CG1 C 13 22.566 0.058 . 2 . . . . A 50 VAL CG1 . 18522 1
355 . 1 1 38 38 VAL CG2 C 13 22.362 0.484 . 2 . . . . A 50 VAL CG2 . 18522 1
356 . 1 1 39 39 GLN H H 1 6.967 0.007 . 1 . . . . A 51 GLN H . 18522 1
357 . 1 1 39 39 GLN HA H 1 4.103 0.005 . 1 . . . . A 51 GLN HA . 18522 1
358 . 1 1 39 39 GLN HB2 H 1 1.527 0.003 . 2 . . . . A 51 GLN HB2 . 18522 1
359 . 1 1 39 39 GLN HB3 H 1 1.131 0.011 . 2 . . . . A 51 GLN HB3 . 18522 1
360 . 1 1 39 39 GLN HG2 H 1 1.641 0.007 . 2 . . . . A 51 GLN HG2 . 18522 1
361 . 1 1 39 39 GLN HG3 H 1 1.330 0.004 . 2 . . . . A 51 GLN HG3 . 18522 1
362 . 1 1 39 39 GLN HE21 H 1 7.252 0.003 . 2 . . . . A 51 GLN HE21 . 18522 1
363 . 1 1 39 39 GLN HE22 H 1 6.720 0.006 . 2 . . . . A 51 GLN HE22 . 18522 1
364 . 1 1 39 39 GLN C C 13 172.856 0.000 . 1 . . . . A 51 GLN C . 18522 1
365 . 1 1 39 39 GLN CA C 13 55.127 0.070 . 1 . . . . A 51 GLN CA . 18522 1
366 . 1 1 39 39 GLN CB C 13 32.376 0.129 . 1 . . . . A 51 GLN CB . 18522 1
367 . 1 1 39 39 GLN CG C 13 33.233 0.027 . 1 . . . . A 51 GLN CG . 18522 1
368 . 1 1 39 39 GLN N N 15 116.821 0.050 . 1 . . . . A 51 GLN N . 18522 1
369 . 1 1 39 39 GLN NE2 N 15 111.389 0.071 . 1 . . . . A 51 GLN NE2 . 18522 1
370 . 1 1 40 40 VAL H H 1 8.447 0.004 . 1 . . . . A 52 VAL H . 18522 1
371 . 1 1 40 40 VAL HA H 1 4.277 0.024 . 1 . . . . A 52 VAL HA . 18522 1
372 . 1 1 40 40 VAL HB H 1 1.800 0.012 . 1 . . . . A 52 VAL HB . 18522 1
373 . 1 1 40 40 VAL HG11 H 1 0.717 0.006 . . . . . . A 52 VAL HG11 . 18522 1
374 . 1 1 40 40 VAL HG12 H 1 0.717 0.006 . . . . . . A 52 VAL HG12 . 18522 1
375 . 1 1 40 40 VAL HG13 H 1 0.717 0.006 . . . . . . A 52 VAL HG13 . 18522 1
376 . 1 1 40 40 VAL HG21 H 1 0.622 0.005 . . . . . . A 52 VAL HG21 . 18522 1
377 . 1 1 40 40 VAL HG22 H 1 0.622 0.005 . . . . . . A 52 VAL HG22 . 18522 1
378 . 1 1 40 40 VAL HG23 H 1 0.622 0.005 . . . . . . A 52 VAL HG23 . 18522 1
379 . 1 1 40 40 VAL C C 13 176.198 0.000 . 1 . . . . A 52 VAL C . 18522 1
380 . 1 1 40 40 VAL CA C 13 61.574 0.080 . 1 . . . . A 52 VAL CA . 18522 1
381 . 1 1 40 40 VAL CB C 13 32.875 0.041 . 1 . . . . A 52 VAL CB . 18522 1
382 . 1 1 40 40 VAL CG1 C 13 20.449 0.056 . 2 . . . . A 52 VAL CG1 . 18522 1
383 . 1 1 40 40 VAL CG2 C 13 20.590 0.080 . 2 . . . . A 52 VAL CG2 . 18522 1
384 . 1 1 40 40 VAL N N 15 123.482 0.067 . 1 . . . . A 52 VAL N . 18522 1
385 . 1 1 41 41 PHE H H 1 8.707 0.014 . 1 . . . . A 53 PHE H . 18522 1
386 . 1 1 41 41 PHE HA H 1 4.400 0.010 . 1 . . . . A 53 PHE HA . 18522 1
387 . 1 1 41 41 PHE HB2 H 1 3.125 0.003 . 2 . . . . A 53 PHE HB2 . 18522 1
388 . 1 1 41 41 PHE HB3 H 1 2.767 0.006 . 2 . . . . A 53 PHE HB3 . 18522 1
389 . 1 1 41 41 PHE HD1 H 1 6.981 0.000 . 3 . . . . A 53 PHE HD1 . 18522 1
390 . 1 1 41 41 PHE HD2 H 1 6.981 0.000 . 3 . . . . A 53 PHE HD2 . 18522 1
391 . 1 1 41 41 PHE HE1 H 1 7.129 0.026 . 3 . . . . A 53 PHE HE1 . 18522 1
392 . 1 1 41 41 PHE HE2 H 1 7.129 0.026 . 3 . . . . A 53 PHE HE2 . 18522 1
393 . 1 1 41 41 PHE C C 13 175.299 0.000 . 1 . . . . A 53 PHE C . 18522 1
394 . 1 1 41 41 PHE CA C 13 58.494 0.237 . 1 . . . . A 53 PHE CA . 18522 1
395 . 1 1 41 41 PHE CB C 13 39.561 0.053 . 1 . . . . A 53 PHE CB . 18522 1
396 . 1 1 41 41 PHE N N 15 128.296 0.040 . 1 . . . . A 53 PHE N . 18522 1
397 . 1 1 42 42 ASP H H 1 8.901 0.005 . 1 . . . . A 54 ASP H . 18522 1
398 . 1 1 42 42 ASP HA H 1 4.272 0.002 . 1 . . . . A 54 ASP HA . 18522 1
399 . 1 1 42 42 ASP HB2 H 1 2.586 0.013 . 2 . . . . A 54 ASP HB2 . 18522 1
400 . 1 1 42 42 ASP HB3 H 1 2.598 0.005 . 2 . . . . A 54 ASP HB3 . 18522 1
401 . 1 1 42 42 ASP C C 13 176.837 0.000 . 1 . . . . A 54 ASP C . 18522 1
402 . 1 1 42 42 ASP CA C 13 55.291 0.077 . 1 . . . . A 54 ASP CA . 18522 1
403 . 1 1 42 42 ASP CB C 13 41.093 0.023 . 1 . . . . A 54 ASP CB . 18522 1
404 . 1 1 42 42 ASP N N 15 122.696 0.056 . 1 . . . . A 54 ASP N . 18522 1
405 . 1 1 43 43 ASN H H 1 9.319 0.005 . 1 . . . . A 55 ASN H . 18522 1
406 . 1 1 43 43 ASN HA H 1 4.258 0.005 . 1 . . . . A 55 ASN HA . 18522 1
407 . 1 1 43 43 ASN HB2 H 1 2.896 0.017 . 2 . . . . A 55 ASN HB2 . 18522 1
408 . 1 1 43 43 ASN HB3 H 1 3.076 0.003 . 2 . . . . A 55 ASN HB3 . 18522 1
409 . 1 1 43 43 ASN HD21 H 1 7.740 0.004 . 2 . . . . A 55 ASN HD21 . 18522 1
410 . 1 1 43 43 ASN HD22 H 1 7.001 0.009 . 2 . . . . A 55 ASN HD22 . 18522 1
411 . 1 1 43 43 ASN C C 13 173.714 0.000 . 1 . . . . A 55 ASN C . 18522 1
412 . 1 1 43 43 ASN CA C 13 54.958 0.068 . 1 . . . . A 55 ASN CA . 18522 1
413 . 1 1 43 43 ASN CB C 13 37.150 0.039 . 1 . . . . A 55 ASN CB . 18522 1
414 . 1 1 43 43 ASN N N 15 113.923 0.061 . 1 . . . . A 55 ASN N . 18522 1
415 . 1 1 43 43 ASN ND2 N 15 114.222 0.042 . 1 . . . . A 55 ASN ND2 . 18522 1
416 . 1 1 44 44 THR H H 1 7.149 0.009 . 1 . . . . A 56 THR H . 18522 1
417 . 1 1 44 44 THR HA H 1 5.377 0.004 . 1 . . . . A 56 THR HA . 18522 1
418 . 1 1 44 44 THR HB H 1 4.058 0.024 . 1 . . . . A 56 THR HB . 18522 1
419 . 1 1 44 44 THR HG1 H 1 5.031 0.019 . 1 . . . . A 56 THR HG1 . 18522 1
420 . 1 1 44 44 THR HG21 H 1 1.290 0.010 . . . . . . A 56 THR HG21 . 18522 1
421 . 1 1 44 44 THR HG22 H 1 1.290 0.010 . . . . . . A 56 THR HG22 . 18522 1
422 . 1 1 44 44 THR HG23 H 1 1.290 0.010 . . . . . . A 56 THR HG23 . 18522 1
423 . 1 1 44 44 THR CA C 13 59.712 0.000 . 1 . . . . A 56 THR CA . 18522 1
424 . 1 1 44 44 THR CB C 13 69.529 0.080 . 1 . . . . A 56 THR CB . 18522 1
425 . 1 1 44 44 THR CG2 C 13 21.918 0.053 . 1 . . . . A 56 THR CG2 . 18522 1
426 . 1 1 44 44 THR N N 15 108.020 0.033 . 1 . . . . A 56 THR N . 18522 1
427 . 1 1 45 45 PRO HA H 1 4.304 0.009 . 1 . . . . A 57 PRO HA . 18522 1
428 . 1 1 45 45 PRO HB2 H 1 2.676 0.016 . 2 . . . . A 57 PRO HB2 . 18522 1
429 . 1 1 45 45 PRO HB3 H 1 2.151 0.008 . 2 . . . . A 57 PRO HB3 . 18522 1
430 . 1 1 45 45 PRO HG2 H 1 2.112 0.011 . 2 . . . . A 57 PRO HG2 . 18522 1
431 . 1 1 45 45 PRO HG3 H 1 2.631 0.013 . 2 . . . . A 57 PRO HG3 . 18522 1
432 . 1 1 45 45 PRO HD2 H 1 4.054 0.014 . 2 . . . . A 57 PRO HD2 . 18522 1
433 . 1 1 45 45 PRO HD3 H 1 3.655 0.011 . 2 . . . . A 57 PRO HD3 . 18522 1
434 . 1 1 45 45 PRO C C 13 180.141 0.000 . 1 . . . . A 57 PRO C . 18522 1
435 . 1 1 45 45 PRO CA C 13 66.090 0.092 . 1 . . . . A 57 PRO CA . 18522 1
436 . 1 1 45 45 PRO CB C 13 33.194 0.000 . 1 . . . . A 57 PRO CB . 18522 1
437 . 1 1 45 45 PRO CG C 13 29.050 0.198 . 1 . . . . A 57 PRO CG . 18522 1
438 . 1 1 46 46 ALA H H 1 8.938 0.006 . 1 . . . . A 58 ALA H . 18522 1
439 . 1 1 46 46 ALA HA H 1 4.035 0.004 . 1 . . . . A 58 ALA HA . 18522 1
440 . 1 1 46 46 ALA HB1 H 1 1.145 0.008 . . . . . . A 58 ALA HB1 . 18522 1
441 . 1 1 46 46 ALA HB2 H 1 1.145 0.008 . . . . . . A 58 ALA HB2 . 18522 1
442 . 1 1 46 46 ALA HB3 H 1 1.145 0.008 . . . . . . A 58 ALA HB3 . 18522 1
443 . 1 1 46 46 ALA C C 13 180.647 0.000 . 1 . . . . A 58 ALA C . 18522 1
444 . 1 1 46 46 ALA CA C 13 55.195 0.035 . 1 . . . . A 58 ALA CA . 18522 1
445 . 1 1 46 46 ALA CB C 13 18.880 0.064 . 1 . . . . A 58 ALA CB . 18522 1
446 . 1 1 46 46 ALA N N 15 116.854 0.047 . 1 . . . . A 58 ALA N . 18522 1
447 . 1 1 47 47 ALA H H 1 7.658 0.006 . 1 . . . . A 59 ALA H . 18522 1
448 . 1 1 47 47 ALA HA H 1 4.030 0.003 . 1 . . . . A 59 ALA HA . 18522 1
449 . 1 1 47 47 ALA HB1 H 1 1.705 0.002 . . . . . . A 59 ALA HB1 . 18522 1
450 . 1 1 47 47 ALA HB2 H 1 1.705 0.002 . . . . . . A 59 ALA HB2 . 18522 1
451 . 1 1 47 47 ALA HB3 H 1 1.705 0.002 . . . . . . A 59 ALA HB3 . 18522 1
452 . 1 1 47 47 ALA C C 13 179.852 0.000 . 1 . . . . A 59 ALA C . 18522 1
453 . 1 1 47 47 ALA CA C 13 54.939 0.046 . 1 . . . . A 59 ALA CA . 18522 1
454 . 1 1 47 47 ALA CB C 13 19.688 0.094 . 1 . . . . A 59 ALA CB . 18522 1
455 . 1 1 47 47 ALA N N 15 123.250 0.022 . 1 . . . . A 59 ALA N . 18522 1
456 . 1 1 48 48 LEU H H 1 8.636 0.025 . 1 . . . . A 60 LEU H . 18522 1
457 . 1 1 48 48 LEU HA H 1 4.026 0.004 . 1 . . . . A 60 LEU HA . 18522 1
458 . 1 1 48 48 LEU HB2 H 1 1.580 0.007 . 2 . . . . A 60 LEU HB2 . 18522 1
459 . 1 1 48 48 LEU HB3 H 1 1.717 0.018 . 2 . . . . A 60 LEU HB3 . 18522 1
460 . 1 1 48 48 LEU HG H 1 1.703 0.008 . 1 . . . . A 60 LEU HG . 18522 1
461 . 1 1 48 48 LEU HD11 H 1 0.905 0.028 . . . . . . A 60 LEU HD11 . 18522 1
462 . 1 1 48 48 LEU HD12 H 1 0.905 0.028 . . . . . . A 60 LEU HD12 . 18522 1
463 . 1 1 48 48 LEU HD13 H 1 0.905 0.028 . . . . . . A 60 LEU HD13 . 18522 1
464 . 1 1 48 48 LEU HD21 H 1 0.830 0.016 . . . . . . A 60 LEU HD21 . 18522 1
465 . 1 1 48 48 LEU HD22 H 1 0.830 0.016 . . . . . . A 60 LEU HD22 . 18522 1
466 . 1 1 48 48 LEU HD23 H 1 0.830 0.016 . . . . . . A 60 LEU HD23 . 18522 1
467 . 1 1 48 48 LEU C C 13 179.238 0.000 . 1 . . . . A 60 LEU C . 18522 1
468 . 1 1 48 48 LEU CA C 13 57.261 0.065 . 1 . . . . A 60 LEU CA . 18522 1
469 . 1 1 48 48 LEU CB C 13 41.445 0.059 . 1 . . . . A 60 LEU CB . 18522 1
470 . 1 1 48 48 LEU CG C 13 27.592 0.044 . 1 . . . . A 60 LEU CG . 18522 1
471 . 1 1 48 48 LEU CD1 C 13 23.149 0.026 . 2 . . . . A 60 LEU CD1 . 18522 1
472 . 1 1 48 48 LEU CD2 C 13 23.725 0.213 . 2 . . . . A 60 LEU CD2 . 18522 1
473 . 1 1 48 48 LEU N N 15 118.654 0.034 . 1 . . . . A 60 LEU N . 18522 1
474 . 1 1 49 49 ASP H H 1 7.665 0.007 . 1 . . . . A 61 ASP H . 18522 1
475 . 1 1 49 49 ASP HA H 1 4.421 0.005 . 1 . . . . A 61 ASP HA . 18522 1
476 . 1 1 49 49 ASP HB2 H 1 2.716 0.003 . 2 . . . . A 61 ASP HB2 . 18522 1
477 . 1 1 49 49 ASP HB3 H 1 2.488 0.004 . 2 . . . . A 61 ASP HB3 . 18522 1
478 . 1 1 49 49 ASP C C 13 177.668 0.000 . 1 . . . . A 61 ASP C . 18522 1
479 . 1 1 49 49 ASP CA C 13 57.087 0.063 . 1 . . . . A 61 ASP CA . 18522 1
480 . 1 1 49 49 ASP CB C 13 44.478 0.098 . 1 . . . . A 61 ASP CB . 18522 1
481 . 1 1 49 49 ASP N N 15 117.382 0.053 . 1 . . . . A 61 ASP N . 18522 1
482 . 1 1 50 50 GLY H H 1 7.216 0.008 . 1 . . . . A 62 GLY H . 18522 1
483 . 1 1 50 50 GLY HA2 H 1 4.014 0.002 . 2 . . . . A 62 GLY HA2 . 18522 1
484 . 1 1 50 50 GLY HA3 H 1 3.930 0.002 . . . . . . A 62 GLY HA3 . 18522 1
485 . 1 1 50 50 GLY C C 13 174.776 0.000 . 1 . . . . A 62 GLY C . 18522 1
486 . 1 1 50 50 GLY CA C 13 46.533 0.035 . 1 . . . . A 62 GLY CA . 18522 1
487 . 1 1 50 50 GLY N N 15 103.228 0.035 . 1 . . . . A 62 GLY N . 18522 1
488 . 1 1 51 51 THR H H 1 8.319 0.008 . 1 . . . . A 63 THR H . 18522 1
489 . 1 1 51 51 THR HA H 1 3.907 0.006 . 1 . . . . A 63 THR HA . 18522 1
490 . 1 1 51 51 THR HG21 H 1 1.057 0.002 . . . . . . A 63 THR HG21 . 18522 1
491 . 1 1 51 51 THR HG22 H 1 1.057 0.002 . . . . . . A 63 THR HG22 . 18522 1
492 . 1 1 51 51 THR HG23 H 1 1.057 0.002 . . . . . . A 63 THR HG23 . 18522 1
493 . 1 1 51 51 THR C C 13 175.961 0.002 . 1 . . . . A 63 THR C . 18522 1
494 . 1 1 51 51 THR CA C 13 66.478 0.035 . 1 . . . . A 63 THR CA . 18522 1
495 . 1 1 51 51 THR CB C 13 68.268 0.063 . 1 . . . . A 63 THR CB . 18522 1
496 . 1 1 51 51 THR N N 15 117.230 0.041 . 1 . . . . A 63 THR N . 18522 1
497 . 1 1 52 52 VAL H H 1 8.147 0.005 . 1 . . . . A 64 VAL H . 18522 1
498 . 1 1 52 52 VAL HA H 1 3.950 0.004 . 1 . . . . A 64 VAL HA . 18522 1
499 . 1 1 52 52 VAL HB H 1 1.846 0.007 . 1 . . . . A 64 VAL HB . 18522 1
500 . 1 1 52 52 VAL HG11 H 1 0.280 0.005 . . . . . . A 64 VAL HG11 . 18522 1
501 . 1 1 52 52 VAL HG12 H 1 0.280 0.005 . . . . . . A 64 VAL HG12 . 18522 1
502 . 1 1 52 52 VAL HG13 H 1 0.280 0.005 . . . . . . A 64 VAL HG13 . 18522 1
503 . 1 1 52 52 VAL HG21 H 1 0.635 0.022 . . . . . . A 64 VAL HG21 . 18522 1
504 . 1 1 52 52 VAL HG22 H 1 0.635 0.022 . . . . . . A 64 VAL HG22 . 18522 1
505 . 1 1 52 52 VAL HG23 H 1 0.635 0.022 . . . . . . A 64 VAL HG23 . 18522 1
506 . 1 1 52 52 VAL C C 13 173.883 0.000 . 1 . . . . A 64 VAL C . 18522 1
507 . 1 1 52 52 VAL CA C 13 60.708 0.222 . 1 . . . . A 64 VAL CA . 18522 1
508 . 1 1 52 52 VAL CB C 13 33.079 0.015 . 1 . . . . A 64 VAL CB . 18522 1
509 . 1 1 52 52 VAL CG1 C 13 20.996 0.043 . 2 . . . . A 64 VAL CG1 . 18522 1
510 . 1 1 52 52 VAL CG2 C 13 17.189 0.191 . 2 . . . . A 64 VAL CG2 . 18522 1
511 . 1 1 52 52 VAL N N 15 113.826 0.019 . 1 . . . . A 64 VAL N . 18522 1
512 . 1 1 53 53 ALA H H 1 8.633 0.010 . 1 . . . . A 65 ALA H . 18522 1
513 . 1 1 53 53 ALA HA H 1 4.414 0.003 . 1 . . . . A 65 ALA HA . 18522 1
514 . 1 1 53 53 ALA HB1 H 1 1.241 0.004 . . . . . . A 65 ALA HB1 . 18522 1
515 . 1 1 53 53 ALA HB2 H 1 1.241 0.004 . . . . . . A 65 ALA HB2 . 18522 1
516 . 1 1 53 53 ALA HB3 H 1 1.241 0.004 . . . . . . A 65 ALA HB3 . 18522 1
517 . 1 1 53 53 ALA C C 13 175.247 0.011 . 1 . . . . A 65 ALA C . 18522 1
518 . 1 1 53 53 ALA CA C 13 50.440 0.110 . 1 . . . . A 65 ALA CA . 18522 1
519 . 1 1 53 53 ALA CB C 13 23.266 0.026 . 1 . . . . A 65 ALA CB . 18522 1
520 . 1 1 53 53 ALA N N 15 123.521 0.053 . 1 . . . . A 65 ALA N . 18522 1
521 . 1 1 54 54 ALA H H 1 8.451 0.008 . 1 . . . . A 66 ALA H . 18522 1
522 . 1 1 54 54 ALA HA H 1 3.720 0.003 . 1 . . . . A 66 ALA HA . 18522 1
523 . 1 1 54 54 ALA HB1 H 1 1.146 0.006 . . . . . . A 66 ALA HB1 . 18522 1
524 . 1 1 54 54 ALA HB2 H 1 1.146 0.006 . . . . . . A 66 ALA HB2 . 18522 1
525 . 1 1 54 54 ALA HB3 H 1 1.146 0.006 . . . . . . A 66 ALA HB3 . 18522 1
526 . 1 1 54 54 ALA C C 13 178.411 0.000 . 1 . . . . A 66 ALA C . 18522 1
527 . 1 1 54 54 ALA CA C 13 53.016 0.022 . 1 . . . . A 66 ALA CA . 18522 1
528 . 1 1 54 54 ALA CB C 13 17.840 0.058 . 1 . . . . A 66 ALA CB . 18522 1
529 . 1 1 54 54 ALA N N 15 120.818 0.051 . 1 . . . . A 66 ALA N . 18522 1
530 . 1 1 55 55 GLY H H 1 9.600 0.005 . 1 . . . . A 67 GLY H . 18522 1
531 . 1 1 55 55 GLY HA2 H 1 3.350 0.005 . 2 . . . . A 67 GLY HA2 . 18522 1
532 . 1 1 55 55 GLY HA3 H 1 4.545 0.005 . . . . . . A 67 GLY HA3 . 18522 1
533 . 1 1 55 55 GLY C C 13 173.296 0.000 . 1 . . . . A 67 GLY C . 18522 1
534 . 1 1 55 55 GLY CA C 13 45.025 0.030 . 1 . . . . A 67 GLY CA . 18522 1
535 . 1 1 55 55 GLY N N 15 112.260 0.040 . 1 . . . . A 67 GLY N . 18522 1
536 . 1 1 56 56 ASP H H 1 8.043 0.004 . 1 . . . . A 68 ASP H . 18522 1
537 . 1 1 56 56 ASP HA H 1 4.861 0.009 . 1 . . . . A 68 ASP HA . 18522 1
538 . 1 1 56 56 ASP HB2 H 1 2.484 0.006 . 2 . . . . A 68 ASP HB2 . 18522 1
539 . 1 1 56 56 ASP HB3 H 1 2.741 0.007 . 2 . . . . A 68 ASP HB3 . 18522 1
540 . 1 1 56 56 ASP C C 13 174.937 0.000 . 1 . . . . A 68 ASP C . 18522 1
541 . 1 1 56 56 ASP CA C 13 55.641 0.035 . 1 . . . . A 68 ASP CA . 18522 1
542 . 1 1 56 56 ASP CB C 13 40.696 0.073 . 1 . . . . A 68 ASP CB . 18522 1
543 . 1 1 56 56 ASP N N 15 121.293 0.069 . 1 . . . . A 68 ASP N . 18522 1
544 . 1 1 57 57 GLU H H 1 8.455 0.009 . 1 . . . . A 69 GLU H . 18522 1
545 . 1 1 57 57 GLU C C 13 177.202 0.000 . 1 . . . . A 69 GLU C . 18522 1
546 . 1 1 57 57 GLU CA C 13 54.472 0.015 . 1 . . . . A 69 GLU CA . 18522 1
547 . 1 1 57 57 GLU CB C 13 32.800 0.042 . 1 . . . . A 69 GLU CB . 18522 1
548 . 1 1 57 57 GLU N N 15 122.814 0.086 . 1 . . . . A 69 GLU N . 18522 1
549 . 1 1 58 58 ILE H H 1 8.619 0.010 . 1 . . . . A 70 ILE H . 18522 1
550 . 1 1 58 58 ILE HA H 1 4.526 0.003 . 1 . . . . A 70 ILE HA . 18522 1
551 . 1 1 58 58 ILE HB H 1 1.519 0.008 . 1 . . . . A 70 ILE HB . 18522 1
552 . 1 1 58 58 ILE HG12 H 1 1.648 0.003 . 2 . . . . A 70 ILE HG12 . 18522 1
553 . 1 1 58 58 ILE HG13 H 1 0.900 0.001 . 2 . . . . A 70 ILE HG13 . 18522 1
554 . 1 1 58 58 ILE HG21 H 1 0.797 0.020 . . . . . . A 70 ILE HG21 . 18522 1
555 . 1 1 58 58 ILE HG22 H 1 0.797 0.020 . . . . . . A 70 ILE HG22 . 18522 1
556 . 1 1 58 58 ILE HG23 H 1 0.797 0.020 . . . . . . A 70 ILE HG23 . 18522 1
557 . 1 1 58 58 ILE HD11 H 1 0.661 0.008 . . . . . . A 70 ILE HD11 . 18522 1
558 . 1 1 58 58 ILE HD12 H 1 0.661 0.008 . . . . . . A 70 ILE HD12 . 18522 1
559 . 1 1 58 58 ILE HD13 H 1 0.661 0.008 . . . . . . A 70 ILE HD13 . 18522 1
560 . 1 1 58 58 ILE C C 13 175.035 0.000 . 1 . . . . A 70 ILE C . 18522 1
561 . 1 1 58 58 ILE CA C 13 60.918 0.033 . 1 . . . . A 70 ILE CA . 18522 1
562 . 1 1 58 58 ILE CB C 13 39.236 0.048 . 1 . . . . A 70 ILE CB . 18522 1
563 . 1 1 58 58 ILE CD1 C 13 13.139 0.234 . 1 . . . . A 70 ILE CD1 . 18522 1
564 . 1 1 58 58 ILE N N 15 125.862 0.095 . 1 . . . . A 70 ILE N . 18522 1
565 . 1 1 59 59 THR H H 1 9.242 0.005 . 1 . . . . A 71 THR H . 18522 1
566 . 1 1 59 59 THR HA H 1 4.513 0.002 . 1 . . . . A 71 THR HA . 18522 1
567 . 1 1 59 59 THR HB H 1 4.258 0.002 . 1 . . . . A 71 THR HB . 18522 1
568 . 1 1 59 59 THR HG21 H 1 0.915 0.014 . . . . . . A 71 THR HG21 . 18522 1
569 . 1 1 59 59 THR HG22 H 1 0.915 0.014 . . . . . . A 71 THR HG22 . 18522 1
570 . 1 1 59 59 THR HG23 H 1 0.915 0.014 . . . . . . A 71 THR HG23 . 18522 1
571 . 1 1 59 59 THR C C 13 176.425 0.000 . 1 . . . . A 71 THR C . 18522 1
572 . 1 1 59 59 THR CA C 13 61.158 0.122 . 1 . . . . A 71 THR CA . 18522 1
573 . 1 1 59 59 THR CB C 13 69.604 0.058 . 1 . . . . A 71 THR CB . 18522 1
574 . 1 1 59 59 THR N N 15 115.507 0.057 . 1 . . . . A 71 THR N . 18522 1
575 . 1 1 60 60 GLY H H 1 7.883 0.005 . 1 . . . . A 72 GLY H . 18522 1
576 . 1 1 60 60 GLY HA2 H 1 4.652 0.004 . 2 . . . . A 72 GLY HA2 . 18522 1
577 . 1 1 60 60 GLY HA3 H 1 3.614 0.008 . . . . . . A 72 GLY HA3 . 18522 1
578 . 1 1 60 60 GLY C C 13 170.981 0.000 . 1 . . . . A 72 GLY C . 18522 1
579 . 1 1 60 60 GLY CA C 13 46.554 0.016 . 1 . . . . A 72 GLY CA . 18522 1
580 . 1 1 60 60 GLY N N 15 111.789 0.027 . 1 . . . . A 72 GLY N . 18522 1
581 . 1 1 61 61 VAL H H 1 8.424 0.006 . 1 . . . . A 73 VAL H . 18522 1
582 . 1 1 61 61 VAL HB H 1 1.867 0.003 . 1 . . . . A 73 VAL HB . 18522 1
583 . 1 1 61 61 VAL HG11 H 1 0.801 0.017 . . . . . . A 73 VAL HG11 . 18522 1
584 . 1 1 61 61 VAL HG12 H 1 0.801 0.017 . . . . . . A 73 VAL HG12 . 18522 1
585 . 1 1 61 61 VAL HG13 H 1 0.801 0.017 . . . . . . A 73 VAL HG13 . 18522 1
586 . 1 1 61 61 VAL HG21 H 1 0.777 0.007 . . . . . . A 73 VAL HG21 . 18522 1
587 . 1 1 61 61 VAL HG22 H 1 0.777 0.007 . . . . . . A 73 VAL HG22 . 18522 1
588 . 1 1 61 61 VAL HG23 H 1 0.777 0.007 . . . . . . A 73 VAL HG23 . 18522 1
589 . 1 1 61 61 VAL C C 13 175.951 0.000 . 1 . . . . A 73 VAL C . 18522 1
590 . 1 1 61 61 VAL CA C 13 60.982 0.036 . 1 . . . . A 73 VAL CA . 18522 1
591 . 1 1 61 61 VAL CB C 13 36.197 0.077 . 1 . . . . A 73 VAL CB . 18522 1
592 . 1 1 61 61 VAL CG1 C 13 21.052 0.109 . 2 . . . . A 73 VAL CG1 . 18522 1
593 . 1 1 61 61 VAL CG2 C 13 20.904 0.037 . 2 . . . . A 73 VAL CG2 . 18522 1
594 . 1 1 61 61 VAL N N 15 119.277 0.034 . 1 . . . . A 73 VAL N . 18522 1
595 . 1 1 62 62 ASN H H 1 10.384 0.003 . 1 . . . . A 74 ASN H . 18522 1
596 . 1 1 62 62 ASN HA H 1 4.520 0.010 . 1 . . . . A 74 ASN HA . 18522 1
597 . 1 1 62 62 ASN HB2 H 1 3.318 0.004 . 2 . . . . A 74 ASN HB2 . 18522 1
598 . 1 1 62 62 ASN HB3 H 1 2.788 0.007 . 2 . . . . A 74 ASN HB3 . 18522 1
599 . 1 1 62 62 ASN HD21 H 1 6.711 0.000 . 2 . . . . A 74 ASN HD21 . 18522 1
600 . 1 1 62 62 ASN HD22 H 1 7.938 0.005 . 2 . . . . A 74 ASN HD22 . 18522 1
601 . 1 1 62 62 ASN C C 13 174.878 0.000 . 1 . . . . A 74 ASN C . 18522 1
602 . 1 1 62 62 ASN CA C 13 54.418 0.122 . 1 . . . . A 74 ASN CA . 18522 1
603 . 1 1 62 62 ASN CB C 13 36.655 0.059 . 1 . . . . A 74 ASN CB . 18522 1
604 . 1 1 62 62 ASN N N 15 127.731 0.051 . 1 . . . . A 74 ASN N . 18522 1
605 . 1 1 62 62 ASN ND2 N 15 110.665 0.127 . 1 . . . . A 74 ASN ND2 . 18522 1
606 . 1 1 63 63 GLY H H 1 8.926 0.012 . 1 . . . . A 75 GLY H . 18522 1
607 . 1 1 63 63 GLY HA2 H 1 4.056 0.012 . 2 . . . . A 75 GLY HA2 . 18522 1
608 . 1 1 63 63 GLY HA3 H 1 3.389 0.002 . . . . . . A 75 GLY HA3 . 18522 1
609 . 1 1 63 63 GLY C C 13 173.610 0.000 . 1 . . . . A 75 GLY C . 18522 1
610 . 1 1 63 63 GLY CA C 13 45.261 0.090 . 1 . . . . A 75 GLY CA . 18522 1
611 . 1 1 63 63 GLY N N 15 104.633 0.062 . 1 . . . . A 75 GLY N . 18522 1
612 . 1 1 64 64 ARG H H 1 7.753 0.008 . 1 . . . . A 76 ARG H . 18522 1
613 . 1 1 64 64 ARG HA H 1 4.501 0.010 . 1 . . . . A 76 ARG HA . 18522 1
614 . 1 1 64 64 ARG HB2 H 1 1.778 0.005 . 2 . . . . A 76 ARG HB2 . 18522 1
615 . 1 1 64 64 ARG HG2 H 1 1.662 0.009 . 2 . . . . A 76 ARG HG2 . 18522 1
616 . 1 1 64 64 ARG HG3 H 1 1.587 0.005 . 2 . . . . A 76 ARG HG3 . 18522 1
617 . 1 1 64 64 ARG HD2 H 1 3.200 0.003 . 2 . . . . A 76 ARG HD2 . 18522 1
618 . 1 1 64 64 ARG C C 13 175.085 0.000 . 1 . . . . A 76 ARG C . 18522 1
619 . 1 1 64 64 ARG CA C 13 54.252 0.165 . 1 . . . . A 76 ARG CA . 18522 1
620 . 1 1 64 64 ARG CB C 13 31.482 0.065 . 1 . . . . A 76 ARG CB . 18522 1
621 . 1 1 64 64 ARG CG C 13 26.645 0.028 . 1 . . . . A 76 ARG CG . 18522 1
622 . 1 1 64 64 ARG CD C 13 43.543 0.015 . 1 . . . . A 76 ARG CD . 18522 1
623 . 1 1 64 64 ARG N N 15 120.451 0.038 . 1 . . . . A 76 ARG N . 18522 1
624 . 1 1 65 65 SER H H 1 8.555 0.006 . 1 . . . . A 77 SER H . 18522 1
625 . 1 1 65 65 SER HA H 1 4.483 0.004 . 1 . . . . A 77 SER HA . 18522 1
626 . 1 1 65 65 SER HB2 H 1 4.050 0.012 . 2 . . . . A 77 SER HB2 . 18522 1
627 . 1 1 65 65 SER HB3 H 1 3.761 0.036 . 2 . . . . A 77 SER HB3 . 18522 1
628 . 1 1 65 65 SER C C 13 176.953 0.000 . 1 . . . . A 77 SER C . 18522 1
629 . 1 1 65 65 SER CA C 13 58.292 0.061 . 1 . . . . A 77 SER CA . 18522 1
630 . 1 1 65 65 SER CB C 13 63.643 0.146 . 1 . . . . A 77 SER CB . 18522 1
631 . 1 1 65 65 SER N N 15 116.586 0.104 . 1 . . . . A 77 SER N . 18522 1
632 . 1 1 66 66 ILE H H 1 7.599 0.015 . 1 . . . . A 78 ILE H . 18522 1
633 . 1 1 66 66 ILE HA H 1 4.420 0.006 . 1 . . . . A 78 ILE HA . 18522 1
634 . 1 1 66 66 ILE HB H 1 2.274 0.005 . 1 . . . . A 78 ILE HB . 18522 1
635 . 1 1 66 66 ILE HG12 H 1 0.907 0.010 . 2 . . . . A 78 ILE HG12 . 18522 1
636 . 1 1 66 66 ILE HG13 H 1 0.861 0.043 . 2 . . . . A 78 ILE HG13 . 18522 1
637 . 1 1 66 66 ILE HG21 H 1 0.795 0.007 . . . . . . A 78 ILE HG21 . 18522 1
638 . 1 1 66 66 ILE HG22 H 1 0.795 0.007 . . . . . . A 78 ILE HG22 . 18522 1
639 . 1 1 66 66 ILE HG23 H 1 0.795 0.007 . . . . . . A 78 ILE HG23 . 18522 1
640 . 1 1 66 66 ILE HD11 H 1 0.790 0.007 . . . . . . A 78 ILE HD11 . 18522 1
641 . 1 1 66 66 ILE HD12 H 1 0.790 0.007 . . . . . . A 78 ILE HD12 . 18522 1
642 . 1 1 66 66 ILE HD13 H 1 0.790 0.007 . . . . . . A 78 ILE HD13 . 18522 1
643 . 1 1 66 66 ILE C C 13 175.072 0.000 . 1 . . . . A 78 ILE C . 18522 1
644 . 1 1 66 66 ILE CA C 13 59.122 0.103 . 1 . . . . A 78 ILE CA . 18522 1
645 . 1 1 66 66 ILE CB C 13 36.758 0.027 . 1 . . . . A 78 ILE CB . 18522 1
646 . 1 1 66 66 ILE CG1 C 13 27.251 0.199 . 1 . . . . A 78 ILE CG1 . 18522 1
647 . 1 1 66 66 ILE CG2 C 13 21.291 0.147 . 1 . . . . A 78 ILE CG2 . 18522 1
648 . 1 1 66 66 ILE CD1 C 13 15.031 0.010 . 1 . . . . A 78 ILE CD1 . 18522 1
649 . 1 1 66 66 ILE N N 15 116.618 0.061 . 1 . . . . A 78 ILE N . 18522 1
650 . 1 1 67 67 LYS H H 1 7.898 0.004 . 1 . . . . A 79 LYS H . 18522 1
651 . 1 1 67 67 LYS HA H 1 4.049 0.002 . 1 . . . . A 79 LYS HA . 18522 1
652 . 1 1 67 67 LYS HB2 H 1 1.676 0.007 . 2 . . . . A 79 LYS HB2 . 18522 1
653 . 1 1 67 67 LYS HB3 H 1 1.754 0.006 . 2 . . . . A 79 LYS HB3 . 18522 1
654 . 1 1 67 67 LYS HG2 H 1 1.454 0.009 . 2 . . . . A 79 LYS HG2 . 18522 1
655 . 1 1 67 67 LYS C C 13 178.333 0.000 . 1 . . . . A 79 LYS C . 18522 1
656 . 1 1 67 67 LYS CA C 13 58.321 0.156 . 1 . . . . A 79 LYS CA . 18522 1
657 . 1 1 67 67 LYS CB C 13 31.635 0.061 . 1 . . . . A 79 LYS CB . 18522 1
658 . 1 1 67 67 LYS N N 15 123.287 0.043 . 1 . . . . A 79 LYS N . 18522 1
659 . 1 1 68 68 GLY H H 1 8.999 0.005 . 1 . . . . A 80 GLY H . 18522 1
660 . 1 1 68 68 GLY HA2 H 1 4.156 0.004 . 2 . . . . A 80 GLY HA2 . 18522 1
661 . 1 1 68 68 GLY HA3 H 1 3.700 0.006 . . . . . . A 80 GLY HA3 . 18522 1
662 . 1 1 68 68 GLY C C 13 174.385 0.000 . 1 . . . . A 80 GLY C . 18522 1
663 . 1 1 68 68 GLY CA C 13 45.518 0.029 . 1 . . . . A 80 GLY CA . 18522 1
664 . 1 1 68 68 GLY N N 15 114.933 0.106 . 1 . . . . A 80 GLY N . 18522 1
665 . 1 1 69 69 LYS H H 1 7.845 0.006 . 1 . . . . A 81 LYS H . 18522 1
666 . 1 1 69 69 LYS HA H 1 4.043 0.000 . 1 . . . . A 81 LYS HA . 18522 1
667 . 1 1 69 69 LYS HB2 H 1 1.912 0.004 . 2 . . . . A 81 LYS HB2 . 18522 1
668 . 1 1 69 69 LYS HB3 H 1 1.786 0.005 . 2 . . . . A 81 LYS HB3 . 18522 1
669 . 1 1 69 69 LYS HG2 H 1 1.576 0.000 . 2 . . . . A 81 LYS HG2 . 18522 1
670 . 1 1 69 69 LYS HD2 H 1 1.199 0.043 . 2 . . . . A 81 LYS HD2 . 18522 1
671 . 1 1 69 69 LYS HD3 H 1 1.394 0.012 . 2 . . . . A 81 LYS HD3 . 18522 1
672 . 1 1 69 69 LYS C C 13 177.064 0.000 . 1 . . . . A 81 LYS C . 18522 1
673 . 1 1 69 69 LYS CA C 13 54.722 0.004 . 1 . . . . A 81 LYS CA . 18522 1
674 . 1 1 69 69 LYS CB C 13 33.560 0.178 . 1 . . . . A 81 LYS CB . 18522 1
675 . 1 1 69 69 LYS N N 15 119.403 0.043 . 1 . . . . A 81 LYS N . 18522 1
676 . 1 1 70 70 THR H H 1 9.153 0.006 . 1 . . . . A 82 THR H . 18522 1
677 . 1 1 70 70 THR HA H 1 4.666 0.015 . 1 . . . . A 82 THR HA . 18522 1
678 . 1 1 70 70 THR C C 13 175.955 0.000 . 1 . . . . A 82 THR C . 18522 1
679 . 1 1 70 70 THR CA C 13 60.438 0.035 . 1 . . . . A 82 THR CA . 18522 1
680 . 1 1 70 70 THR CB C 13 71.629 0.024 . 1 . . . . A 82 THR CB . 18522 1
681 . 1 1 70 70 THR N N 15 112.066 0.082 . 1 . . . . A 82 THR N . 18522 1
682 . 1 1 71 71 LYS H H 1 8.969 0.009 . 1 . . . . A 83 LYS H . 18522 1
683 . 1 1 71 71 LYS HA H 1 3.870 0.011 . 1 . . . . A 83 LYS HA . 18522 1
684 . 1 1 71 71 LYS HB2 H 1 1.950 0.016 . 2 . . . . A 83 LYS HB2 . 18522 1
685 . 1 1 71 71 LYS HB3 H 1 1.781 0.010 . 2 . . . . A 83 LYS HB3 . 18522 1
686 . 1 1 71 71 LYS HG2 H 1 1.377 0.006 . 2 . . . . A 83 LYS HG2 . 18522 1
687 . 1 1 71 71 LYS HG3 H 1 1.450 0.006 . 2 . . . . A 83 LYS HG3 . 18522 1
688 . 1 1 71 71 LYS HD2 H 1 1.551 0.014 . 2 . . . . A 83 LYS HD2 . 18522 1
689 . 1 1 71 71 LYS HD3 H 1 1.576 0.009 . 2 . . . . A 83 LYS HD3 . 18522 1
690 . 1 1 71 71 LYS HE2 H 1 2.966 0.003 . 2 . . . . A 83 LYS HE2 . 18522 1
691 . 1 1 71 71 LYS HE3 H 1 2.965 0.003 . 2 . . . . A 83 LYS HE3 . 18522 1
692 . 1 1 71 71 LYS HZ1 H 1 7.633 0.000 . 1 . . . . A 83 LYS HZ1 . 18522 1
693 . 1 1 71 71 LYS HZ2 H 1 7.633 0.000 . 1 . . . . A 83 LYS HZ2 . 18522 1
694 . 1 1 71 71 LYS HZ3 H 1 7.633 0.000 . 1 . . . . A 83 LYS HZ3 . 18522 1
695 . 1 1 71 71 LYS C C 13 177.464 0.000 . 1 . . . . A 83 LYS C . 18522 1
696 . 1 1 71 71 LYS CA C 13 60.357 0.046 . 1 . . . . A 83 LYS CA . 18522 1
697 . 1 1 71 71 LYS CB C 13 31.350 0.115 . 1 . . . . A 83 LYS CB . 18522 1
698 . 1 1 71 71 LYS CD C 13 29.165 0.000 . 1 . . . . A 83 LYS CD . 18522 1
699 . 1 1 71 71 LYS CE C 13 42.133 0.000 . 1 . . . . A 83 LYS CE . 18522 1
700 . 1 1 71 71 LYS N N 15 118.730 0.040 . 1 . . . . A 83 LYS N . 18522 1
701 . 1 1 72 72 VAL H H 1 7.631 0.010 . 1 . . . . A 84 VAL H . 18522 1
702 . 1 1 72 72 VAL HA H 1 3.633 0.003 . 1 . . . . A 84 VAL HA . 18522 1
703 . 1 1 72 72 VAL HB H 1 1.987 0.005 . 1 . . . . A 84 VAL HB . 18522 1
704 . 1 1 72 72 VAL HG11 H 1 0.964 0.024 . . . . . . A 84 VAL HG11 . 18522 1
705 . 1 1 72 72 VAL HG12 H 1 0.964 0.024 . . . . . . A 84 VAL HG12 . 18522 1
706 . 1 1 72 72 VAL HG13 H 1 0.964 0.024 . . . . . . A 84 VAL HG13 . 18522 1
707 . 1 1 72 72 VAL HG21 H 1 1.112 0.003 . . . . . . A 84 VAL HG21 . 18522 1
708 . 1 1 72 72 VAL HG22 H 1 1.112 0.003 . . . . . . A 84 VAL HG22 . 18522 1
709 . 1 1 72 72 VAL HG23 H 1 1.112 0.003 . . . . . . A 84 VAL HG23 . 18522 1
710 . 1 1 72 72 VAL C C 13 178.315 0.000 . 1 . . . . A 84 VAL C . 18522 1
711 . 1 1 72 72 VAL CA C 13 66.079 0.070 . 1 . . . . A 84 VAL CA . 18522 1
712 . 1 1 72 72 VAL CB C 13 32.091 0.067 . 1 . . . . A 84 VAL CB . 18522 1
713 . 1 1 72 72 VAL CG1 C 13 21.046 0.087 . 2 . . . . A 84 VAL CG1 . 18522 1
714 . 1 1 72 72 VAL CG2 C 13 22.888 0.034 . 2 . . . . A 84 VAL CG2 . 18522 1
715 . 1 1 72 72 VAL N N 15 117.444 0.062 . 1 . . . . A 84 VAL N . 18522 1
716 . 1 1 73 73 GLU H H 1 7.617 0.010 . 1 . . . . A 85 GLU H . 18522 1
717 . 1 1 73 73 GLU HA H 1 3.964 0.024 . 1 . . . . A 85 GLU HA . 18522 1
718 . 1 1 73 73 GLU HB2 H 1 1.885 0.038 . 2 . . . . A 85 GLU HB2 . 18522 1
719 . 1 1 73 73 GLU HB3 H 1 2.441 0.028 . 2 . . . . A 85 GLU HB3 . 18522 1
720 . 1 1 73 73 GLU HG2 H 1 2.422 0.006 . 2 . . . . A 85 GLU HG2 . 18522 1
721 . 1 1 73 73 GLU HG3 H 1 2.249 0.005 . 2 . . . . A 85 GLU HG3 . 18522 1
722 . 1 1 73 73 GLU C C 13 179.971 0.000 . 1 . . . . A 85 GLU C . 18522 1
723 . 1 1 73 73 GLU CA C 13 59.316 0.064 . 1 . . . . A 85 GLU CA . 18522 1
724 . 1 1 73 73 GLU CB C 13 30.355 0.059 . 1 . . . . A 85 GLU CB . 18522 1
725 . 1 1 73 73 GLU CG C 13 37.702 0.095 . 1 . . . . A 85 GLU CG . 18522 1
726 . 1 1 73 73 GLU N N 15 120.890 0.019 . 1 . . . . A 85 GLU N . 18522 1
727 . 1 1 74 74 VAL H H 1 8.368 0.008 . 1 . . . . A 86 VAL H . 18522 1
728 . 1 1 74 74 VAL HA H 1 3.630 0.007 . 1 . . . . A 86 VAL HA . 18522 1
729 . 1 1 74 74 VAL HB H 1 1.962 0.012 . 1 . . . . A 86 VAL HB . 18522 1
730 . 1 1 74 74 VAL HG11 H 1 0.794 0.006 . . . . . . A 86 VAL HG11 . 18522 1
731 . 1 1 74 74 VAL HG12 H 1 0.794 0.006 . . . . . . A 86 VAL HG12 . 18522 1
732 . 1 1 74 74 VAL HG13 H 1 0.794 0.006 . . . . . . A 86 VAL HG13 . 18522 1
733 . 1 1 74 74 VAL HG21 H 1 0.984 0.011 . . . . . . A 86 VAL HG21 . 18522 1
734 . 1 1 74 74 VAL HG22 H 1 0.984 0.011 . . . . . . A 86 VAL HG22 . 18522 1
735 . 1 1 74 74 VAL HG23 H 1 0.984 0.011 . . . . . . A 86 VAL HG23 . 18522 1
736 . 1 1 74 74 VAL C C 13 177.217 0.000 . 1 . . . . A 86 VAL C . 18522 1
737 . 1 1 74 74 VAL CA C 13 66.678 0.231 . 1 . . . . A 86 VAL CA . 18522 1
738 . 1 1 74 74 VAL CB C 13 31.307 0.043 . 1 . . . . A 86 VAL CB . 18522 1
739 . 1 1 74 74 VAL CG2 C 13 20.973 0.042 . 2 . . . . A 86 VAL CG2 . 18522 1
740 . 1 1 74 74 VAL N N 15 121.246 0.092 . 1 . . . . A 86 VAL N . 18522 1
741 . 1 1 75 75 ALA H H 1 8.577 0.006 . 1 . . . . A 87 ALA H . 18522 1
742 . 1 1 75 75 ALA HA H 1 3.947 0.009 . 1 . . . . A 87 ALA HA . 18522 1
743 . 1 1 75 75 ALA HB1 H 1 1.452 0.005 . . . . . . A 87 ALA HB1 . 18522 1
744 . 1 1 75 75 ALA HB2 H 1 1.452 0.005 . . . . . . A 87 ALA HB2 . 18522 1
745 . 1 1 75 75 ALA HB3 H 1 1.452 0.005 . . . . . . A 87 ALA HB3 . 18522 1
746 . 1 1 75 75 ALA C C 13 179.545 0.000 . 1 . . . . A 87 ALA C . 18522 1
747 . 1 1 75 75 ALA CA C 13 55.851 0.101 . 1 . . . . A 87 ALA CA . 18522 1
748 . 1 1 75 75 ALA CB C 13 18.491 0.060 . 1 . . . . A 87 ALA CB . 18522 1
749 . 1 1 75 75 ALA N N 15 122.148 0.104 . 1 . . . . A 87 ALA N . 18522 1
750 . 1 1 76 76 LYS H H 1 7.854 0.010 . 1 . . . . A 88 LYS H . 18522 1
751 . 1 1 76 76 LYS HA H 1 4.051 0.004 . 1 . . . . A 88 LYS HA . 18522 1
752 . 1 1 76 76 LYS HB2 H 1 1.875 0.043 . 2 . . . . A 88 LYS HB2 . 18522 1
753 . 1 1 76 76 LYS HB3 H 1 1.922 0.026 . 2 . . . . A 88 LYS HB3 . 18522 1
754 . 1 1 76 76 LYS HG2 H 1 1.537 0.004 . 2 . . . . A 88 LYS HG2 . 18522 1
755 . 1 1 76 76 LYS HG3 H 1 1.434 0.009 . 2 . . . . A 88 LYS HG3 . 18522 1
756 . 1 1 76 76 LYS HD2 H 1 1.677 0.006 . 2 . . . . A 88 LYS HD2 . 18522 1
757 . 1 1 76 76 LYS HE2 H 1 2.976 0.008 . 2 . . . . A 88 LYS HE2 . 18522 1
758 . 1 1 76 76 LYS CA C 13 59.393 0.093 . 1 . . . . A 88 LYS CA . 18522 1
759 . 1 1 76 76 LYS CB C 13 32.058 0.080 . 1 . . . . A 88 LYS CB . 18522 1
760 . 1 1 76 76 LYS CG C 13 24.828 0.138 . 1 . . . . A 88 LYS CG . 18522 1
761 . 1 1 76 76 LYS CD C 13 29.018 0.143 . 1 . . . . A 88 LYS CD . 18522 1
762 . 1 1 76 76 LYS N N 15 117.733 0.056 . 1 . . . . A 88 LYS N . 18522 1
763 . 1 1 77 77 MET H H 1 7.759 0.012 . 1 . . . . A 89 MET H . 18522 1
764 . 1 1 77 77 MET HA H 1 4.048 0.004 . 1 . . . . A 89 MET HA . 18522 1
765 . 1 1 77 77 MET HB2 H 1 2.117 0.004 . 2 . . . . A 89 MET HB2 . 18522 1
766 . 1 1 77 77 MET HB3 H 1 2.356 0.032 . 2 . . . . A 89 MET HB3 . 18522 1
767 . 1 1 77 77 MET HG2 H 1 2.495 0.005 . 2 . . . . A 89 MET HG2 . 18522 1
768 . 1 1 77 77 MET HG3 H 1 2.803 0.003 . 2 . . . . A 89 MET HG3 . 18522 1
769 . 1 1 77 77 MET C C 13 178.791 0.000 . 1 . . . . A 89 MET C . 18522 1
770 . 1 1 77 77 MET CA C 13 59.128 0.093 . 1 . . . . A 89 MET CA . 18522 1
771 . 1 1 77 77 MET CB C 13 33.801 0.091 . 1 . . . . A 89 MET CB . 18522 1
772 . 1 1 77 77 MET CG C 13 31.822 0.093 . 1 . . . . A 89 MET CG . 18522 1
773 . 1 1 77 77 MET N N 15 117.676 0.097 . 1 . . . . A 89 MET N . 18522 1
774 . 1 1 78 78 ILE H H 1 7.972 0.008 . 1 . . . . A 90 ILE H . 18522 1
775 . 1 1 78 78 ILE HA H 1 3.590 0.013 . 1 . . . . A 90 ILE HA . 18522 1
776 . 1 1 78 78 ILE HB H 1 1.950 0.019 . 1 . . . . A 90 ILE HB . 18522 1
777 . 1 1 78 78 ILE HG13 H 1 0.762 0.004 . 2 . . . . A 90 ILE HG13 . 18522 1
778 . 1 1 78 78 ILE HG21 H 1 1.014 0.010 . . . . . . A 90 ILE HG21 . 18522 1
779 . 1 1 78 78 ILE HG22 H 1 1.014 0.010 . . . . . . A 90 ILE HG22 . 18522 1
780 . 1 1 78 78 ILE HG23 H 1 1.014 0.010 . . . . . . A 90 ILE HG23 . 18522 1
781 . 1 1 78 78 ILE C C 13 178.658 0.000 . 1 . . . . A 90 ILE C . 18522 1
782 . 1 1 78 78 ILE CA C 13 65.482 0.048 . 1 . . . . A 90 ILE CA . 18522 1
783 . 1 1 78 78 ILE CB C 13 38.845 0.051 . 1 . . . . A 90 ILE CB . 18522 1
784 . 1 1 78 78 ILE CG1 C 13 30.559 0.043 . 1 . . . . A 90 ILE CG1 . 18522 1
785 . 1 1 78 78 ILE CG2 C 13 17.314 0.062 . 1 . . . . A 90 ILE CG2 . 18522 1
786 . 1 1 78 78 ILE N N 15 117.305 0.085 . 1 . . . . A 90 ILE N . 18522 1
787 . 1 1 79 79 GLN H H 1 8.826 0.005 . 1 . . . . A 91 GLN H . 18522 1
788 . 1 1 79 79 GLN HA H 1 3.998 0.010 . 1 . . . . A 91 GLN HA . 18522 1
789 . 1 1 79 79 GLN HB2 H 1 2.358 0.005 . 2 . . . . A 91 GLN HB2 . 18522 1
790 . 1 1 79 79 GLN HB3 H 1 2.138 0.005 . 2 . . . . A 91 GLN HB3 . 18522 1
791 . 1 1 79 79 GLN HG2 H 1 2.715 0.007 . 2 . . . . A 91 GLN HG2 . 18522 1
792 . 1 1 79 79 GLN HG3 H 1 2.518 0.007 . 2 . . . . A 91 GLN HG3 . 18522 1
793 . 1 1 79 79 GLN C C 13 178.274 0.000 . 1 . . . . A 91 GLN C . 18522 1
794 . 1 1 79 79 GLN CA C 13 59.151 0.036 . 1 . . . . A 91 GLN CA . 18522 1
795 . 1 1 79 79 GLN CB C 13 28.934 0.083 . 1 . . . . A 91 GLN CB . 18522 1
796 . 1 1 79 79 GLN CG C 13 34.132 0.082 . 1 . . . . A 91 GLN CG . 18522 1
797 . 1 1 79 79 GLN N N 15 120.935 0.051 . 1 . . . . A 91 GLN N . 18522 1
798 . 1 1 80 80 GLU H H 1 8.020 0.006 . 1 . . . . A 92 GLU H . 18522 1
799 . 1 1 80 80 GLU HA H 1 4.061 0.007 . 1 . . . . A 92 GLU HA . 18522 1
800 . 1 1 80 80 GLU HB2 H 1 2.092 0.003 . 2 . . . . A 92 GLU HB2 . 18522 1
801 . 1 1 80 80 GLU HB3 H 1 2.184 0.001 . 2 . . . . A 92 GLU HB3 . 18522 1
802 . 1 1 80 80 GLU HG2 H 1 2.409 0.013 . 2 . . . . A 92 GLU HG2 . 18522 1
803 . 1 1 80 80 GLU C C 13 176.824 0.000 . 1 . . . . A 92 GLU C . 18522 1
804 . 1 1 80 80 GLU CA C 13 58.006 0.098 . 1 . . . . A 92 GLU CA . 18522 1
805 . 1 1 80 80 GLU CB C 13 29.890 0.023 . 1 . . . . A 92 GLU CB . 18522 1
806 . 1 1 80 80 GLU CG C 13 36.379 0.155 . 1 . . . . A 92 GLU CG . 18522 1
807 . 1 1 80 80 GLU N N 15 115.213 0.035 . 1 . . . . A 92 GLU N . 18522 1
808 . 1 1 81 81 VAL H H 1 7.073 0.006 . 1 . . . . A 93 VAL H . 18522 1
809 . 1 1 81 81 VAL HA H 1 3.930 0.005 . 1 . . . . A 93 VAL HA . 18522 1
810 . 1 1 81 81 VAL HB H 1 1.987 0.003 . 1 . . . . A 93 VAL HB . 18522 1
811 . 1 1 81 81 VAL HG11 H 1 1.119 0.012 . . . . . . A 93 VAL HG11 . 18522 1
812 . 1 1 81 81 VAL HG12 H 1 1.119 0.012 . . . . . . A 93 VAL HG12 . 18522 1
813 . 1 1 81 81 VAL HG13 H 1 1.119 0.012 . . . . . . A 93 VAL HG13 . 18522 1
814 . 1 1 81 81 VAL HG21 H 1 0.986 0.019 . . . . . . A 93 VAL HG21 . 18522 1
815 . 1 1 81 81 VAL HG22 H 1 0.986 0.019 . . . . . . A 93 VAL HG22 . 18522 1
816 . 1 1 81 81 VAL HG23 H 1 0.986 0.019 . . . . . . A 93 VAL HG23 . 18522 1
817 . 1 1 81 81 VAL C C 13 176.016 0.000 . 1 . . . . A 93 VAL C . 18522 1
818 . 1 1 81 81 VAL CA C 13 63.153 0.071 . 1 . . . . A 93 VAL CA . 18522 1
819 . 1 1 81 81 VAL CB C 13 32.154 0.048 . 1 . . . . A 93 VAL CB . 18522 1
820 . 1 1 81 81 VAL CG1 C 13 21.681 0.054 . 2 . . . . A 93 VAL CG1 . 18522 1
821 . 1 1 81 81 VAL CG2 C 13 22.607 0.055 . 2 . . . . A 93 VAL CG2 . 18522 1
822 . 1 1 81 81 VAL N N 15 119.047 0.037 . 1 . . . . A 93 VAL N . 18522 1
823 . 1 1 82 82 LYS H H 1 8.762 0.005 . 1 . . . . A 94 LYS H . 18522 1
824 . 1 1 82 82 LYS C C 13 177.460 0.017 . 1 . . . . A 94 LYS C . 18522 1
825 . 1 1 82 82 LYS CA C 13 55.753 0.022 . 1 . . . . A 94 LYS CA . 18522 1
826 . 1 1 82 82 LYS CB C 13 32.332 0.019 . 1 . . . . A 94 LYS CB . 18522 1
827 . 1 1 82 82 LYS N N 15 128.366 0.045 . 1 . . . . A 94 LYS N . 18522 1
828 . 1 1 83 83 GLY H H 1 8.673 0.006 . 1 . . . . A 95 GLY H . 18522 1
829 . 1 1 83 83 GLY HA2 H 1 3.718 0.003 . 2 . . . . A 95 GLY HA2 . 18522 1
830 . 1 1 83 83 GLY HA3 H 1 4.248 0.002 . . . . . . A 95 GLY HA3 . 18522 1
831 . 1 1 83 83 GLY C C 13 173.468 0.000 . 1 . . . . A 95 GLY C . 18522 1
832 . 1 1 83 83 GLY CA C 13 46.243 0.046 . 1 . . . . A 95 GLY CA . 18522 1
833 . 1 1 83 83 GLY N N 15 112.528 0.044 . 1 . . . . A 95 GLY N . 18522 1
834 . 1 1 84 84 GLU H H 1 8.297 0.005 . 1 . . . . A 96 GLU H . 18522 1
835 . 1 1 84 84 GLU HA H 1 4.749 0.004 . 1 . . . . A 96 GLU HA . 18522 1
836 . 1 1 84 84 GLU HB2 H 1 1.706 0.003 . 2 . . . . A 96 GLU HB2 . 18522 1
837 . 1 1 84 84 GLU HB3 H 1 1.933 0.005 . 2 . . . . A 96 GLU HB3 . 18522 1
838 . 1 1 84 84 GLU HG2 H 1 2.081 0.008 . 2 . . . . A 96 GLU HG2 . 18522 1
839 . 1 1 84 84 GLU HG3 H 1 2.075 0.005 . 2 . . . . A 96 GLU HG3 . 18522 1
840 . 1 1 84 84 GLU C C 13 174.583 0.000 . 1 . . . . A 96 GLU C . 18522 1
841 . 1 1 84 84 GLU CA C 13 55.821 0.016 . 1 . . . . A 96 GLU CA . 18522 1
842 . 1 1 84 84 GLU CB C 13 31.410 0.086 . 1 . . . . A 96 GLU CB . 18522 1
843 . 1 1 84 84 GLU CG C 13 35.415 0.051 . 1 . . . . A 96 GLU CG . 18522 1
844 . 1 1 84 84 GLU N N 15 121.485 0.027 . 1 . . . . A 96 GLU N . 18522 1
845 . 1 1 85 85 VAL H H 1 9.096 0.006 . 1 . . . . A 97 VAL H . 18522 1
846 . 1 1 85 85 VAL HA H 1 4.665 0.002 . 1 . . . . A 97 VAL HA . 18522 1
847 . 1 1 85 85 VAL HB H 1 1.978 0.010 . 1 . . . . A 97 VAL HB . 18522 1
848 . 1 1 85 85 VAL HG11 H 1 0.931 0.017 . . . . . . A 97 VAL HG11 . 18522 1
849 . 1 1 85 85 VAL HG12 H 1 0.931 0.017 . . . . . . A 97 VAL HG12 . 18522 1
850 . 1 1 85 85 VAL HG13 H 1 0.931 0.017 . . . . . . A 97 VAL HG13 . 18522 1
851 . 1 1 85 85 VAL HG21 H 1 0.991 0.013 . . . . . . A 97 VAL HG21 . 18522 1
852 . 1 1 85 85 VAL HG22 H 1 0.991 0.013 . . . . . . A 97 VAL HG22 . 18522 1
853 . 1 1 85 85 VAL HG23 H 1 0.991 0.013 . . . . . . A 97 VAL HG23 . 18522 1
854 . 1 1 85 85 VAL C C 13 173.047 0.000 . 1 . . . . A 97 VAL C . 18522 1
855 . 1 1 85 85 VAL CA C 13 60.114 0.063 . 1 . . . . A 97 VAL CA . 18522 1
856 . 1 1 85 85 VAL CB C 13 35.184 0.061 . 1 . . . . A 97 VAL CB . 18522 1
857 . 1 1 85 85 VAL CG1 C 13 21.621 0.539 . 2 . . . . A 97 VAL CG1 . 18522 1
858 . 1 1 85 85 VAL CG2 C 13 21.991 0.001 . 2 . . . . A 97 VAL CG2 . 18522 1
859 . 1 1 85 85 VAL N N 15 120.501 0.094 . 1 . . . . A 97 VAL N . 18522 1
860 . 1 1 86 86 THR H H 1 9.352 0.006 . 1 . . . . A 98 THR H . 18522 1
861 . 1 1 86 86 THR HA H 1 4.076 0.000 . 1 . . . . A 98 THR HA . 18522 1
862 . 1 1 86 86 THR HB H 1 4.664 0.002 . 1 . . . . A 98 THR HB . 18522 1
863 . 1 1 86 86 THR HG1 H 1 5.193 0.000 . 1 . . . . A 98 THR HG1 . 18522 1
864 . 1 1 86 86 THR HG21 H 1 0.995 0.017 . . . . . . A 98 THR HG21 . 18522 1
865 . 1 1 86 86 THR HG22 H 1 0.995 0.017 . . . . . . A 98 THR HG22 . 18522 1
866 . 1 1 86 86 THR HG23 H 1 0.995 0.017 . . . . . . A 98 THR HG23 . 18522 1
867 . 1 1 86 86 THR C C 13 173.807 0.000 . 1 . . . . A 98 THR C . 18522 1
868 . 1 1 86 86 THR CA C 13 61.735 0.010 . 1 . . . . A 98 THR CA . 18522 1
869 . 1 1 86 86 THR CB C 13 69.531 0.041 . 1 . . . . A 98 THR CB . 18522 1
870 . 1 1 86 86 THR CG2 C 13 22.194 0.213 . 1 . . . . A 98 THR CG2 . 18522 1
871 . 1 1 86 86 THR N N 15 125.019 0.093 . 1 . . . . A 98 THR N . 18522 1
872 . 1 1 87 87 ILE H H 1 9.329 0.009 . 1 . . . . A 99 ILE H . 18522 1
873 . 1 1 87 87 ILE HA H 1 4.661 0.004 . 1 . . . . A 99 ILE HA . 18522 1
874 . 1 1 87 87 ILE HB H 1 2.043 0.005 . 1 . . . . A 99 ILE HB . 18522 1
875 . 1 1 87 87 ILE HG12 H 1 1.480 0.007 . 2 . . . . A 99 ILE HG12 . 18522 1
876 . 1 1 87 87 ILE HG13 H 1 1.310 0.029 . 2 . . . . A 99 ILE HG13 . 18522 1
877 . 1 1 87 87 ILE HG21 H 1 0.946 0.013 . . . . . . A 99 ILE HG21 . 18522 1
878 . 1 1 87 87 ILE HG22 H 1 0.946 0.013 . . . . . . A 99 ILE HG22 . 18522 1
879 . 1 1 87 87 ILE HG23 H 1 0.946 0.013 . . . . . . A 99 ILE HG23 . 18522 1
880 . 1 1 87 87 ILE HD11 H 1 0.763 0.018 . . . . . . A 99 ILE HD11 . 18522 1
881 . 1 1 87 87 ILE HD12 H 1 0.763 0.018 . . . . . . A 99 ILE HD12 . 18522 1
882 . 1 1 87 87 ILE HD13 H 1 0.763 0.018 . . . . . . A 99 ILE HD13 . 18522 1
883 . 1 1 87 87 ILE C C 13 174.614 0.000 . 1 . . . . A 99 ILE C . 18522 1
884 . 1 1 87 87 ILE CA C 13 58.258 0.062 . 1 . . . . A 99 ILE CA . 18522 1
885 . 1 1 87 87 ILE CB C 13 38.528 0.040 . 1 . . . . A 99 ILE CB . 18522 1
886 . 1 1 87 87 ILE CG1 C 13 26.905 0.149 . 1 . . . . A 99 ILE CG1 . 18522 1
887 . 1 1 87 87 ILE CG2 C 13 17.059 0.285 . 1 . . . . A 99 ILE CG2 . 18522 1
888 . 1 1 87 87 ILE CD1 C 13 10.721 0.094 . 1 . . . . A 99 ILE CD1 . 18522 1
889 . 1 1 87 87 ILE N N 15 128.383 0.074 . 1 . . . . A 99 ILE N . 18522 1
890 . 1 1 88 88 HIS H H 1 8.647 0.009 . 1 . . . . A 100 HIS H . 18522 1
891 . 1 1 88 88 HIS HA H 1 4.948 0.003 . 1 . . . . A 100 HIS HA . 18522 1
892 . 1 1 88 88 HIS HB2 H 1 2.701 0.014 . 2 . . . . A 100 HIS HB2 . 18522 1
893 . 1 1 88 88 HIS HB3 H 1 3.019 0.001 . 2 . . . . A 100 HIS HB3 . 18522 1
894 . 1 1 88 88 HIS C C 13 174.787 0.000 . 1 . . . . A 100 HIS C . 18522 1
895 . 1 1 88 88 HIS CA C 13 54.620 0.051 . 1 . . . . A 100 HIS CA . 18522 1
896 . 1 1 88 88 HIS N N 15 128.279 0.046 . 1 . . . . A 100 HIS N . 18522 1
897 . 1 1 89 89 TYR H H 1 8.414 0.011 . 1 . . . . A 101 TYR H . 18522 1
898 . 1 1 89 89 TYR HA H 1 5.947 0.002 . 1 . . . . A 101 TYR HA . 18522 1
899 . 1 1 89 89 TYR C C 13 173.769 0.009 . 1 . . . . A 101 TYR C . 18522 1
900 . 1 1 89 89 TYR CA C 13 55.669 0.025 . 1 . . . . A 101 TYR CA . 18522 1
901 . 1 1 89 89 TYR CB C 13 42.195 0.018 . 1 . . . . A 101 TYR CB . 18522 1
902 . 1 1 89 89 TYR N N 15 121.320 0.046 . 1 . . . . A 101 TYR N . 18522 1
903 . 1 1 90 90 ASN H H 1 9.282 0.010 . 1 . . . . A 102 ASN H . 18522 1
904 . 1 1 90 90 ASN HA H 1 5.335 0.007 . 1 . . . . A 102 ASN HA . 18522 1
905 . 1 1 90 90 ASN HB2 H 1 2.750 0.018 . 2 . . . . A 102 ASN HB2 . 18522 1
906 . 1 1 90 90 ASN HB3 H 1 2.483 0.007 . 2 . . . . A 102 ASN HB3 . 18522 1
907 . 1 1 90 90 ASN C C 13 175.406 0.000 . 1 . . . . A 102 ASN C . 18522 1
908 . 1 1 90 90 ASN CA C 13 51.961 0.041 . 1 . . . . A 102 ASN CA . 18522 1
909 . 1 1 90 90 ASN CB C 13 41.800 0.082 . 1 . . . . A 102 ASN CB . 18522 1
910 . 1 1 90 90 ASN N N 15 116.679 0.059 . 1 . . . . A 102 ASN N . 18522 1
911 . 1 1 91 91 LYS H H 1 8.949 0.009 . 1 . . . . A 103 LYS H . 18522 1
912 . 1 1 91 91 LYS HB3 H 1 1.882 0.006 . 2 . . . . A 103 LYS HB3 . 18522 1
913 . 1 1 91 91 LYS HG2 H 1 1.679 0.004 . 2 . . . . A 103 LYS HG2 . 18522 1
914 . 1 1 91 91 LYS HG3 H 1 1.628 0.000 . 2 . . . . A 103 LYS HG3 . 18522 1
915 . 1 1 91 91 LYS HD2 H 1 1.760 0.004 . 2 . . . . A 103 LYS HD2 . 18522 1
916 . 1 1 91 91 LYS HE2 H 1 2.677 0.000 . 2 . . . . A 103 LYS HE2 . 18522 1
917 . 1 1 91 91 LYS HE3 H 1 3.057 0.025 . 2 . . . . A 103 LYS HE3 . 18522 1
918 . 1 1 91 91 LYS C C 13 176.678 0.000 . 1 . . . . A 103 LYS C . 18522 1
919 . 1 1 91 91 LYS CA C 13 55.006 0.000 . 1 . . . . A 103 LYS CA . 18522 1
920 . 1 1 91 91 LYS CG C 13 24.131 0.260 . 1 . . . . A 103 LYS CG . 18522 1
921 . 1 1 91 91 LYS CD C 13 28.319 0.055 . 1 . . . . A 103 LYS CD . 18522 1
922 . 1 1 91 91 LYS CE C 13 41.906 0.245 . 1 . . . . A 103 LYS CE . 18522 1
923 . 1 1 91 91 LYS N N 15 124.129 0.042 . 1 . . . . A 103 LYS N . 18522 1
924 . 1 1 92 92 LEU H H 1 9.150 0.008 . 1 . . . . A 104 LEU H . 18522 1
925 . 1 1 92 92 LEU HA H 1 4.425 0.006 . 1 . . . . A 104 LEU HA . 18522 1
926 . 1 1 92 92 LEU HB2 H 1 1.639 0.017 . 2 . . . . A 104 LEU HB2 . 18522 1
927 . 1 1 92 92 LEU HB3 H 1 1.701 0.000 . 2 . . . . A 104 LEU HB3 . 18522 1
928 . 1 1 92 92 LEU HG H 1 1.636 0.035 . 1 . . . . A 104 LEU HG . 18522 1
929 . 1 1 92 92 LEU HD11 H 1 0.864 0.028 . . . . . . A 104 LEU HD11 . 18522 1
930 . 1 1 92 92 LEU HD12 H 1 0.864 0.028 . . . . . . A 104 LEU HD12 . 18522 1
931 . 1 1 92 92 LEU HD13 H 1 0.864 0.028 . . . . . . A 104 LEU HD13 . 18522 1
932 . 1 1 92 92 LEU HD21 H 1 0.977 0.012 . . . . . . A 104 LEU HD21 . 18522 1
933 . 1 1 92 92 LEU HD22 H 1 0.977 0.012 . . . . . . A 104 LEU HD22 . 18522 1
934 . 1 1 92 92 LEU HD23 H 1 0.977 0.012 . . . . . . A 104 LEU HD23 . 18522 1
935 . 1 1 92 92 LEU CA C 13 55.060 0.079 . 1 . . . . A 104 LEU CA . 18522 1
936 . 1 1 92 92 LEU CB C 13 42.559 0.074 . 1 . . . . A 104 LEU CB . 18522 1
937 . 1 1 92 92 LEU CG C 13 27.237 0.060 . 1 . . . . A 104 LEU CG . 18522 1
938 . 1 1 92 92 LEU CD1 C 13 24.318 0.000 . 2 . . . . A 104 LEU CD1 . 18522 1
939 . 1 1 92 92 LEU CD2 C 13 24.407 0.152 . 2 . . . . A 104 LEU CD2 . 18522 1
940 . 1 1 92 92 LEU N N 15 127.043 0.101 . 1 . . . . A 104 LEU N . 18522 1
941 . 1 1 93 93 GLN HA H 1 4.315 0.019 . 1 . . . . A 105 GLN HA . 18522 1
942 . 1 1 93 93 GLN HB2 H 1 2.000 0.004 . 2 . . . . A 105 GLN HB2 . 18522 1
943 . 1 1 93 93 GLN HB3 H 1 2.141 0.006 . 2 . . . . A 105 GLN HB3 . 18522 1
944 . 1 1 93 93 GLN C C 13 175.070 0.000 . 1 . . . . A 105 GLN C . 18522 1
945 . 1 1 93 93 GLN CA C 13 55.490 0.081 . 1 . . . . A 105 GLN CA . 18522 1
946 . 1 1 93 93 GLN CB C 13 28.909 0.110 . 1 . . . . A 105 GLN CB . 18522 1
947 . 1 1 94 94 ALA H H 1 8.226 0.006 . 1 . . . . A 106 ALA H . 18522 1
948 . 1 1 94 94 ALA HA H 1 4.366 0.029 . 1 . . . . A 106 ALA HA . 18522 1
949 . 1 1 94 94 ALA HB1 H 1 1.228 0.007 . . . . . . A 106 ALA HB1 . 18522 1
950 . 1 1 94 94 ALA HB2 H 1 1.228 0.007 . . . . . . A 106 ALA HB2 . 18522 1
951 . 1 1 94 94 ALA HB3 H 1 1.228 0.007 . . . . . . A 106 ALA HB3 . 18522 1
952 . 1 1 94 94 ALA C C 13 176.392 0.000 . 1 . . . . A 106 ALA C . 18522 1
953 . 1 1 94 94 ALA CA C 13 51.723 0.057 . 1 . . . . A 106 ALA CA . 18522 1
954 . 1 1 94 94 ALA CB C 13 20.185 0.051 . 1 . . . . A 106 ALA CB . 18522 1
955 . 1 1 94 94 ALA N N 15 125.133 0.079 . 1 . . . . A 106 ALA N . 18522 1
956 . 1 1 95 95 ASP H H 1 8.429 0.003 . 1 . . . . A 107 ASP H . 18522 1
957 . 1 1 95 95 ASP HA H 1 4.413 0.030 . 1 . . . . A 107 ASP HA . 18522 1
958 . 1 1 95 95 ASP HB2 H 1 2.762 0.025 . 2 . . . . A 107 ASP HB2 . 18522 1
959 . 1 1 95 95 ASP C C 13 175.019 0.000 . 1 . . . . A 107 ASP C . 18522 1
960 . 1 1 95 95 ASP CA C 13 55.642 0.013 . 1 . . . . A 107 ASP CA . 18522 1
961 . 1 1 95 95 ASP CB C 13 41.266 0.000 . 1 . . . . A 107 ASP CB . 18522 1
962 . 1 1 95 95 ASP N N 15 122.013 0.054 . 1 . . . . A 107 ASP N . 18522 1
963 . 1 1 96 96 PRO HA H 1 4.207 0.003 . 1 . . . . A 108 PRO HA . 18522 1
964 . 1 1 96 96 PRO HB2 H 1 2.348 0.022 . 2 . . . . A 108 PRO HB2 . 18522 1
965 . 1 1 96 96 PRO HB3 H 1 1.950 0.001 . 2 . . . . A 108 PRO HB3 . 18522 1
966 . 1 1 96 96 PRO C C 13 178.840 0.000 . 1 . . . . A 108 PRO C . 18522 1
967 . 1 1 96 96 PRO CA C 13 65.396 0.045 . 1 . . . . A 108 PRO CA . 18522 1
968 . 1 1 96 96 PRO CB C 13 32.181 0.036 . 1 . . . . A 108 PRO CB . 18522 1
969 . 1 1 97 97 LYS H H 1 8.335 0.009 . 1 . . . . A 109 LYS H . 18522 1
970 . 1 1 97 97 LYS HA H 1 4.143 0.010 . 1 . . . . A 109 LYS HA . 18522 1
971 . 1 1 97 97 LYS HB2 H 1 1.868 0.003 . 2 . . . . A 109 LYS HB2 . 18522 1
972 . 1 1 97 97 LYS HG2 H 1 1.476 0.011 . 2 . . . . A 109 LYS HG2 . 18522 1
973 . 1 1 97 97 LYS C C 13 178.099 0.000 . 1 . . . . A 109 LYS C . 18522 1
974 . 1 1 97 97 LYS CA C 13 58.167 0.047 . 1 . . . . A 109 LYS CA . 18522 1
975 . 1 1 97 97 LYS CB C 13 31.649 0.058 . 1 . . . . A 109 LYS CB . 18522 1
976 . 1 1 97 97 LYS N N 15 117.942 0.042 . 1 . . . . A 109 LYS N . 18522 1
977 . 1 1 98 98 GLN H H 1 7.985 0.005 . 1 . . . . A 110 GLN H . 18522 1
978 . 1 1 98 98 GLN HA H 1 4.130 0.006 . 1 . . . . A 110 GLN HA . 18522 1
979 . 1 1 98 98 GLN HB2 H 1 2.070 0.004 . 2 . . . . A 110 GLN HB2 . 18522 1
980 . 1 1 98 98 GLN HB3 H 1 2.152 0.014 . 2 . . . . A 110 GLN HB3 . 18522 1
981 . 1 1 98 98 GLN HG2 H 1 2.450 0.003 . 2 . . . . A 110 GLN HG2 . 18522 1
982 . 1 1 98 98 GLN HG3 H 1 2.341 0.011 . 2 . . . . A 110 GLN HG3 . 18522 1
983 . 1 1 98 98 GLN C C 13 178.298 0.000 . 1 . . . . A 110 GLN C . 18522 1
984 . 1 1 98 98 GLN CA C 13 57.660 0.094 . 1 . . . . A 110 GLN CA . 18522 1
985 . 1 1 98 98 GLN CB C 13 28.720 0.034 . 1 . . . . A 110 GLN CB . 18522 1
986 . 1 1 98 98 GLN CG C 13 33.941 0.074 . 1 . . . . A 110 GLN CG . 18522 1
987 . 1 1 98 98 GLN N N 15 119.159 0.067 . 1 . . . . A 110 GLN N . 18522 1
988 . 1 1 99 99 LEU H H 1 7.994 0.004 . 1 . . . . A 111 LEU H . 18522 1
989 . 1 1 99 99 LEU HA H 1 3.877 0.004 . 1 . . . . A 111 LEU HA . 18522 1
990 . 1 1 99 99 LEU HB2 H 1 1.444 0.013 . 2 . . . . A 111 LEU HB2 . 18522 1
991 . 1 1 99 99 LEU HB3 H 1 1.654 0.014 . 2 . . . . A 111 LEU HB3 . 18522 1
992 . 1 1 99 99 LEU HD11 H 1 0.669 0.008 . . . . . . A 111 LEU HD11 . 18522 1
993 . 1 1 99 99 LEU HD12 H 1 0.669 0.008 . . . . . . A 111 LEU HD12 . 18522 1
994 . 1 1 99 99 LEU HD13 H 1 0.669 0.008 . . . . . . A 111 LEU HD13 . 18522 1
995 . 1 1 99 99 LEU HD21 H 1 0.748 0.005 . . . . . . A 111 LEU HD21 . 18522 1
996 . 1 1 99 99 LEU HD22 H 1 0.748 0.005 . . . . . . A 111 LEU HD22 . 18522 1
997 . 1 1 99 99 LEU HD23 H 1 0.748 0.005 . . . . . . A 111 LEU HD23 . 18522 1
998 . 1 1 99 99 LEU C C 13 177.729 0.000 . 1 . . . . A 111 LEU C . 18522 1
999 . 1 1 99 99 LEU CA C 13 57.049 0.060 . 1 . . . . A 111 LEU CA . 18522 1
1000 . 1 1 99 99 LEU CB C 13 41.466 0.067 . 1 . . . . A 111 LEU CB . 18522 1
1001 . 1 1 99 99 LEU CD2 C 13 24.973 0.033 . 2 . . . . A 111 LEU CD2 . 18522 1
1002 . 1 1 99 99 LEU N N 15 120.490 0.034 . 1 . . . . A 111 LEU N . 18522 1
1003 . 1 1 100 100 GLU H H 1 7.760 0.007 . 1 . . . . A 112 GLU H . 18522 1
1004 . 1 1 100 100 GLU HA H 1 3.972 0.005 . 1 . . . . A 112 GLU HA . 18522 1
1005 . 1 1 100 100 GLU HB3 H 1 2.076 0.003 . 2 . . . . A 112 GLU HB3 . 18522 1
1006 . 1 1 100 100 GLU HG2 H 1 2.345 0.013 . 2 . . . . A 112 GLU HG2 . 18522 1
1007 . 1 1 100 100 GLU HG3 H 1 2.181 0.005 . 2 . . . . A 112 GLU HG3 . 18522 1
1008 . 1 1 100 100 GLU C C 13 178.402 0.000 . 1 . . . . A 112 GLU C . 18522 1
1009 . 1 1 100 100 GLU CA C 13 59.056 0.071 . 1 . . . . A 112 GLU CA . 18522 1
1010 . 1 1 100 100 GLU CB C 13 29.732 0.000 . 1 . . . . A 112 GLU CB . 18522 1
1011 . 1 1 100 100 GLU CG C 13 36.313 0.079 . 1 . . . . A 112 GLU CG . 18522 1
1012 . 1 1 100 100 GLU N N 15 118.251 0.205 . 1 . . . . A 112 GLU N . 18522 1
1013 . 1 1 101 101 VAL H H 1 7.437 0.007 . 1 . . . . A 113 VAL H . 18522 1
1014 . 1 1 101 101 VAL HA H 1 3.762 0.005 . 1 . . . . A 113 VAL HA . 18522 1
1015 . 1 1 101 101 VAL HB H 1 2.080 0.004 . 1 . . . . A 113 VAL HB . 18522 1
1016 . 1 1 101 101 VAL HG11 H 1 1.000 0.014 . . . . . . A 113 VAL HG11 . 18522 1
1017 . 1 1 101 101 VAL HG12 H 1 1.000 0.014 . . . . . . A 113 VAL HG12 . 18522 1
1018 . 1 1 101 101 VAL HG13 H 1 1.000 0.014 . . . . . . A 113 VAL HG13 . 18522 1
1019 . 1 1 101 101 VAL HG21 H 1 0.912 0.002 . . . . . . A 113 VAL HG21 . 18522 1
1020 . 1 1 101 101 VAL HG22 H 1 0.912 0.002 . . . . . . A 113 VAL HG22 . 18522 1
1021 . 1 1 101 101 VAL HG23 H 1 0.912 0.002 . . . . . . A 113 VAL HG23 . 18522 1
1022 . 1 1 101 101 VAL C C 13 178.107 0.000 . 1 . . . . A 113 VAL C . 18522 1
1023 . 1 1 101 101 VAL CA C 13 64.791 0.064 . 1 . . . . A 113 VAL CA . 18522 1
1024 . 1 1 101 101 VAL CB C 13 32.149 0.089 . 1 . . . . A 113 VAL CB . 18522 1
1025 . 1 1 101 101 VAL CG1 C 13 21.880 0.096 . 2 . . . . A 113 VAL CG1 . 18522 1
1026 . 1 1 101 101 VAL CG2 C 13 21.186 0.021 . 2 . . . . A 113 VAL CG2 . 18522 1
1027 . 1 1 101 101 VAL N N 15 117.229 0.050 . 1 . . . . A 113 VAL N . 18522 1
1028 . 1 1 102 102 LEU H H 1 7.765 0.006 . 1 . . . . A 114 LEU H . 18522 1
1029 . 1 1 102 102 LEU HA H 1 4.033 0.003 . 1 . . . . A 114 LEU HA . 18522 1
1030 . 1 1 102 102 LEU HB2 H 1 1.377 0.004 . 2 . . . . A 114 LEU HB2 . 18522 1
1031 . 1 1 102 102 LEU HB3 H 1 1.216 0.003 . 2 . . . . A 114 LEU HB3 . 18522 1
1032 . 1 1 102 102 LEU C C 13 178.506 0.000 . 1 . . . . A 114 LEU C . 18522 1
1033 . 1 1 102 102 LEU CA C 13 57.243 0.032 . 1 . . . . A 114 LEU CA . 18522 1
1034 . 1 1 102 102 LEU CB C 13 42.028 0.000 . 1 . . . . A 114 LEU CB . 18522 1
1035 . 1 1 102 102 LEU N N 15 122.124 0.110 . 1 . . . . A 114 LEU N . 18522 1
1036 . 1 1 103 103 PHE H H 1 7.805 0.008 . 1 . . . . A 115 PHE H . 18522 1
1037 . 1 1 103 103 PHE HA H 1 4.224 0.011 . 1 . . . . A 115 PHE HA . 18522 1
1038 . 1 1 103 103 PHE HB2 H 1 2.851 0.009 . 2 . . . . A 115 PHE HB2 . 18522 1
1039 . 1 1 103 103 PHE HB3 H 1 3.090 0.011 . 2 . . . . A 115 PHE HB3 . 18522 1
1040 . 1 1 103 103 PHE C C 13 175.621 0.000 . 1 . . . . A 115 PHE C . 18522 1
1041 . 1 1 103 103 PHE CA C 13 57.537 0.057 . 1 . . . . A 115 PHE CA . 18522 1
1042 . 1 1 103 103 PHE CB C 13 38.057 0.000 . 1 . . . . A 115 PHE CB . 18522 1
1043 . 1 1 103 103 PHE N N 15 115.346 0.063 . 1 . . . . A 115 PHE N . 18522 1
1044 . 1 1 104 104 GLN H H 1 7.974 0.000 . 1 . . . . A 116 GLN H . 18522 1
1045 . 1 1 104 104 GLN HA H 1 4.407 0.003 . 1 . . . . A 116 GLN HA . 18522 1
1046 . 1 1 104 104 GLN HB2 H 1 2.021 0.008 . 2 . . . . A 116 GLN HB2 . 18522 1
1047 . 1 1 104 104 GLN HB3 H 1 2.212 0.005 . 2 . . . . A 116 GLN HB3 . 18522 1
1048 . 1 1 104 104 GLN C C 13 176.402 0.000 . 1 . . . . A 116 GLN C . 18522 1
1049 . 1 1 104 104 GLN CA C 13 55.521 0.044 . 1 . . . . A 116 GLN CA . 18522 1
1050 . 1 1 104 104 GLN CB C 13 29.170 0.046 . 1 . . . . A 116 GLN CB . 18522 1
1051 . 1 1 104 104 GLN N N 15 119.021 0.000 . 1 . . . . A 116 GLN N . 18522 1
1052 . 1 1 105 105 GLY H H 1 8.195 0.003 . 1 . . . . A 117 GLY H . 18522 1
1053 . 1 1 105 105 GLY HA2 H 1 4.212 0.000 . 2 . . . . A 117 GLY HA2 . 18522 1
1054 . 1 1 105 105 GLY HA3 H 1 3.721 0.000 . . . . . . A 117 GLY HA3 . 18522 1
1055 . 1 1 105 105 GLY CA C 13 45.124 0.000 . 1 . . . . A 117 GLY CA . 18522 1
1056 . 1 1 105 105 GLY N N 15 108.868 0.069 . 1 . . . . A 117 GLY N . 18522 1
1057 . 1 1 106 106 PRO HA H 1 4.490 0.019 . 1 . . . . A 118 PRO HA . 18522 1
1058 . 1 1 106 106 PRO HB2 H 1 1.980 0.004 . 2 . . . . A 118 PRO HB2 . 18522 1
1059 . 1 1 106 106 PRO HB3 H 1 2.324 0.012 . 2 . . . . A 118 PRO HB3 . 18522 1
1060 . 1 1 106 106 PRO HG2 H 1 2.053 0.005 . 2 . . . . A 118 PRO HG2 . 18522 1
1061 . 1 1 106 106 PRO HD2 H 1 3.753 0.007 . 2 . . . . A 118 PRO HD2 . 18522 1
1062 . 1 1 106 106 PRO HD3 H 1 3.855 0.014 . 2 . . . . A 118 PRO HD3 . 18522 1
1063 . 1 1 106 106 PRO C C 13 176.001 0.000 . 1 . . . . A 118 PRO C . 18522 1
1064 . 1 1 106 106 PRO CA C 13 63.523 0.074 . 1 . . . . A 118 PRO CA . 18522 1
1065 . 1 1 106 106 PRO CB C 13 32.078 0.072 . 1 . . . . A 118 PRO CB . 18522 1
1066 . 1 1 106 106 PRO CG C 13 27.280 0.049 . 1 . . . . A 118 PRO CG . 18522 1
1067 . 1 1 106 106 PRO CD C 13 50.973 0.196 . 1 . . . . A 118 PRO CD . 18522 1
1068 . 1 1 107 107 GLN H H 1 8.079 0.001 . 1 . . . . A 119 GLN H . 18522 1
1069 . 1 1 107 107 GLN C C 13 181.211 0.000 . 1 . . . . A 119 GLN C . 18522 1
1070 . 1 1 107 107 GLN CA C 13 57.416 0.000 . 1 . . . . A 119 GLN CA . 18522 1
1071 . 1 1 107 107 GLN N N 15 126.950 0.056 . 1 . . . . A 119 GLN N . 18522 1
1072 . 1 1 111 111 ARG C C 13 174.608 0.000 . 1 . . . . A 123 ARG C . 18522 1
1073 . 1 1 111 111 ARG CA C 13 55.099 0.082 . 1 . . . . A 123 ARG CA . 18522 1
1074 . 1 1 112 112 HIS H H 1 7.640 0.009 . 1 . . . . A 124 HIS H . 18522 1
1075 . 1 1 112 112 HIS HA H 1 4.718 0.009 . 1 . . . . A 124 HIS HA . 18522 1
1076 . 1 1 112 112 HIS HB2 H 1 3.034 0.007 . 2 . . . . A 124 HIS HB2 . 18522 1
1077 . 1 1 112 112 HIS C C 13 176.040 0.000 . 1 . . . . A 124 HIS C . 18522 1
1078 . 1 1 112 112 HIS CA C 13 54.213 0.000 . 1 . . . . A 124 HIS CA . 18522 1
1079 . 1 1 112 112 HIS CB C 13 31.164 0.000 . 1 . . . . A 124 HIS CB . 18522 1
1080 . 1 1 112 112 HIS N N 15 122.212 0.113 . 1 . . . . A 124 HIS N . 18522 1
1081 . 1 1 113 113 TRP HE1 H 1 10.051 0.000 . 1 . . . . A 125 TRP HE1 . 18522 1
1082 . 1 1 113 113 TRP C C 13 176.168 0.000 . 1 . . . . A 125 TRP C . 18522 1
1083 . 1 1 113 113 TRP NE1 N 15 127.858 0.000 . 1 . . . . A 125 TRP NE1 . 18522 1
1084 . 1 1 114 114 LEU H H 1 8.606 0.003 . 1 . . . . A 126 LEU H . 18522 1
1085 . 1 1 114 114 LEU HA H 1 4.869 0.004 . 1 . . . . A 126 LEU HA . 18522 1
1086 . 1 1 114 114 LEU HB2 H 1 1.603 0.009 . 2 . . . . A 126 LEU HB2 . 18522 1
1087 . 1 1 114 114 LEU HB3 H 1 1.453 0.011 . 2 . . . . A 126 LEU HB3 . 18522 1
1088 . 1 1 114 114 LEU HG H 1 1.551 0.005 . 1 . . . . A 126 LEU HG . 18522 1
1089 . 1 1 114 114 LEU HD11 H 1 0.902 0.004 . . . . . . A 126 LEU HD11 . 18522 1
1090 . 1 1 114 114 LEU HD12 H 1 0.902 0.004 . . . . . . A 126 LEU HD12 . 18522 1
1091 . 1 1 114 114 LEU HD13 H 1 0.902 0.004 . . . . . . A 126 LEU HD13 . 18522 1
1092 . 1 1 114 114 LEU HD21 H 1 0.887 0.006 . . . . . . A 126 LEU HD21 . 18522 1
1093 . 1 1 114 114 LEU HD22 H 1 0.887 0.006 . . . . . . A 126 LEU HD22 . 18522 1
1094 . 1 1 114 114 LEU HD23 H 1 0.887 0.006 . . . . . . A 126 LEU HD23 . 18522 1
1095 . 1 1 114 114 LEU CA C 13 54.151 0.059 . 1 . . . . A 126 LEU CA . 18522 1
1096 . 1 1 114 114 LEU CB C 13 45.144 0.044 . 1 . . . . A 126 LEU CB . 18522 1
1097 . 1 1 114 114 LEU CD2 C 13 24.695 0.102 . 2 . . . . A 126 LEU CD2 . 18522 1
1098 . 1 1 114 114 LEU N N 15 121.893 0.017 . 1 . . . . A 126 LEU N . 18522 1
1099 . 1 1 115 115 LYS H H 1 8.647 0.005 . 1 . . . . A 127 LYS H . 18522 1
1100 . 1 1 115 115 LYS HA H 1 4.203 0.013 . 1 . . . . A 127 LYS HA . 18522 1
1101 . 1 1 115 115 LYS HB2 H 1 1.739 0.012 . 2 . . . . A 127 LYS HB2 . 18522 1
1102 . 1 1 115 115 LYS HB3 H 1 1.913 0.000 . 2 . . . . A 127 LYS HB3 . 18522 1
1103 . 1 1 115 115 LYS HG2 H 1 1.344 0.000 . 2 . . . . A 127 LYS HG2 . 18522 1
1104 . 1 1 115 115 LYS HD2 H 1 1.576 0.000 . 2 . . . . A 127 LYS HD2 . 18522 1
1105 . 1 1 115 115 LYS HZ1 H 1 7.439 0.000 . 1 . . . . A 127 LYS HZ1 . 18522 1
1106 . 1 1 115 115 LYS HZ2 H 1 7.439 0.000 . 1 . . . . A 127 LYS HZ2 . 18522 1
1107 . 1 1 115 115 LYS HZ3 H 1 7.439 0.000 . 1 . . . . A 127 LYS HZ3 . 18522 1
1108 . 1 1 115 115 LYS C C 13 175.564 0.000 . 1 . . . . A 127 LYS C . 18522 1
1109 . 1 1 115 115 LYS CA C 13 57.252 0.130 . 1 . . . . A 127 LYS CA . 18522 1
1110 . 1 1 115 115 LYS CB C 13 33.406 0.002 . 1 . . . . A 127 LYS CB . 18522 1
1111 . 1 1 115 115 LYS N N 15 125.850 0.134 . 1 . . . . A 127 LYS N . 18522 1
1112 . 1 1 116 116 VAL H H 1 9.088 0.007 . 1 . . . . A 128 VAL H . 18522 1
1113 . 1 1 116 116 VAL HA H 1 4.436 0.003 . 1 . . . . A 128 VAL HA . 18522 1
1114 . 1 1 116 116 VAL HB H 1 2.465 0.002 . 1 . . . . A 128 VAL HB . 18522 1
1115 . 1 1 116 116 VAL HG11 H 1 0.909 0.013 . . . . . . A 128 VAL HG11 . 18522 1
1116 . 1 1 116 116 VAL HG12 H 1 0.909 0.013 . . . . . . A 128 VAL HG12 . 18522 1
1117 . 1 1 116 116 VAL HG13 H 1 0.909 0.013 . . . . . . A 128 VAL HG13 . 18522 1
1118 . 1 1 116 116 VAL HG21 H 1 0.779 0.009 . . . . . . A 128 VAL HG21 . 18522 1
1119 . 1 1 116 116 VAL HG22 H 1 0.779 0.009 . . . . . . A 128 VAL HG22 . 18522 1
1120 . 1 1 116 116 VAL HG23 H 1 0.779 0.009 . . . . . . A 128 VAL HG23 . 18522 1
1121 . 1 1 116 116 VAL C C 13 179.742 0.000 . 1 . . . . A 128 VAL C . 18522 1
1122 . 1 1 116 116 VAL CA C 13 61.751 0.098 . 1 . . . . A 128 VAL CA . 18522 1
1123 . 1 1 116 116 VAL CB C 13 35.096 0.030 . 1 . . . . A 128 VAL CB . 18522 1
1124 . 1 1 116 116 VAL CG1 C 13 20.333 0.224 . 2 . . . . A 128 VAL CG1 . 18522 1
1125 . 1 1 116 116 VAL CG2 C 13 22.721 0.065 . 2 . . . . A 128 VAL CG2 . 18522 1
1126 . 1 1 116 116 VAL N N 15 123.839 0.046 . 1 . . . . A 128 VAL N . 18522 1
stop_
save_