Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 34868
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 34868 2
2 '3D HNCO' . . . 34868 2
3 '3D HNCA' . . . 34868 2
4 '3D CBCA(CO)NH' . . . 34868 2
5 '3D HNCACB' . . . 34868 2
6 '3D H(CCO)NH' . . . 34868 2
7 '3D C(CO)NH' . . . 34868 2
8 '3D HCCH-TOCSY' . . . 34868 2
9 '3D HBHA(CO)NH' . . . 34868 2
10 '3D 1H-15N NOESY' . . . 34868 2
11 '2D 1H-13C HSQC' . . . 34868 2
12 '2D hbcbcgcdhdgp' . . . 34868 2
13 '2D hbcbcgcdcehegp' . . . 34868 2
14 '2D 1H-13C HSQC' . . . 34868 2
15 '3D 1H-13C NOESY' . . . 34868 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 MET HA H 1 4.469 0.004 . 1 . . . . A -1 MET HA . 34868 2
2 . 1 . 1 3 3 MET HB2 H 1 2.092 0.023 . 2 . . . . A -1 MET HB2 . 34868 2
3 . 1 . 1 3 3 MET HB3 H 1 2.105 0.006 . 2 . . . . A -1 MET HB3 . 34868 2
4 . 1 . 1 3 3 MET HG2 H 1 2.583 0.012 . 1 . . . . A -1 MET HG2 . 34868 2
5 . 1 . 1 3 3 MET HG3 H 1 2.583 0.012 . 1 . . . . A -1 MET HG3 . 34868 2
6 . 1 . 1 3 3 MET CA C 13 55.457 0.007 . 1 . . . . A -1 MET CA . 34868 2
7 . 1 . 1 3 3 MET CB C 13 32.942 0.000 . 1 . . . . A -1 MET CB . 34868 2
8 . 1 . 1 3 3 MET CG C 13 32.032 0.009 . 1 . . . . A -1 MET CG . 34868 2
9 . 1 . 1 4 4 ALA HA H 1 4.383 0.000 . 1 . . . . A 0 ALA HA . 34868 2
10 . 1 . 1 4 4 ALA HB1 H 1 1.411 0.000 . 1 . . . . A 0 ALA HB1 . 34868 2
11 . 1 . 1 4 4 ALA HB2 H 1 1.411 0.000 . 1 . . . . A 0 ALA HB2 . 34868 2
12 . 1 . 1 4 4 ALA HB3 H 1 1.411 0.000 . 1 . . . . A 0 ALA HB3 . 34868 2
13 . 1 . 1 4 4 ALA CA C 13 52.612 0.000 . 1 . . . . A 0 ALA CA . 34868 2
14 . 1 . 1 4 4 ALA CB C 13 18.987 0.000 . 1 . . . . A 0 ALA CB . 34868 2
15 . 1 . 1 5 5 THR HA H 1 4.305 0.012 . 1 . . . . A 1 THR HA . 34868 2
16 . 1 . 1 5 5 THR HB H 1 4.219 0.007 . 1 . . . . A 1 THR HB . 34868 2
17 . 1 . 1 5 5 THR HG21 H 1 1.221 0.002 . 1 . . . . A 1 THR HG21 . 34868 2
18 . 1 . 1 5 5 THR HG22 H 1 1.221 0.002 . 1 . . . . A 1 THR HG22 . 34868 2
19 . 1 . 1 5 5 THR HG23 H 1 1.221 0.002 . 1 . . . . A 1 THR HG23 . 34868 2
20 . 1 . 1 5 5 THR CA C 13 61.668 0.016 . 1 . . . . A 1 THR CA . 34868 2
21 . 1 . 1 5 5 THR CB C 13 69.794 0.028 . 1 . . . . A 1 THR CB . 34868 2
22 . 1 . 1 5 5 THR CG2 C 13 21.645 0.000 . 1 . . . . A 1 THR CG2 . 34868 2
23 . 1 . 1 6 6 ALA HB1 H 1 1.397 0.001 . 1 . . . . A 2 ALA HB1 . 34868 2
24 . 1 . 1 6 6 ALA HB2 H 1 1.397 0.001 . 1 . . . . A 2 ALA HB2 . 34868 2
25 . 1 . 1 6 6 ALA HB3 H 1 1.397 0.001 . 1 . . . . A 2 ALA HB3 . 34868 2
26 . 1 . 1 6 6 ALA CB C 13 19.309 0.000 . 1 . . . . A 2 ALA CB . 34868 2
27 . 1 . 1 7 7 VAL HA H 1 4.113 0.004 . 1 . . . . A 3 VAL HA . 34868 2
28 . 1 . 1 7 7 VAL HB H 1 2.080 0.006 . 1 . . . . A 3 VAL HB . 34868 2
29 . 1 . 1 7 7 VAL HG11 H 1 0.944 0.003 . 1 . . . . A 3 VAL HG11 . 34868 2
30 . 1 . 1 7 7 VAL HG12 H 1 0.944 0.003 . 1 . . . . A 3 VAL HG12 . 34868 2
31 . 1 . 1 7 7 VAL HG13 H 1 0.944 0.003 . 1 . . . . A 3 VAL HG13 . 34868 2
32 . 1 . 1 7 7 VAL HG21 H 1 0.944 0.002 . 1 . . . . A 3 VAL HG21 . 34868 2
33 . 1 . 1 7 7 VAL HG22 H 1 0.944 0.002 . 1 . . . . A 3 VAL HG22 . 34868 2
34 . 1 . 1 7 7 VAL HG23 H 1 0.944 0.002 . 1 . . . . A 3 VAL HG23 . 34868 2
35 . 1 . 1 7 7 VAL CA C 13 62.035 0.015 . 1 . . . . A 3 VAL CA . 34868 2
36 . 1 . 1 7 7 VAL CB C 13 32.765 0.000 . 1 . . . . A 3 VAL CB . 34868 2
37 . 1 . 1 7 7 VAL CG1 C 13 20.576 0.000 . 2 . . . . A 3 VAL CG1 . 34868 2
38 . 1 . 1 7 7 VAL CG2 C 13 20.677 0.087 . 2 . . . . A 3 VAL CG2 . 34868 2
39 . 1 . 1 8 8 GLN HA H 1 4.315 0.006 . 1 . . . . A 4 GLN HA . 34868 2
40 . 1 . 1 8 8 GLN HB2 H 1 1.978 0.013 . 2 . . . . A 4 GLN HB2 . 34868 2
41 . 1 . 1 8 8 GLN HB3 H 1 2.004 0.022 . 2 . . . . A 4 GLN HB3 . 34868 2
42 . 1 . 1 8 8 GLN HG2 H 1 2.339 0.005 . 2 . . . . A 4 GLN HG2 . 34868 2
43 . 1 . 1 8 8 GLN HG3 H 1 2.339 0.005 . 2 . . . . A 4 GLN HG3 . 34868 2
44 . 1 . 1 8 8 GLN CA C 13 55.788 0.003 . 1 . . . . A 4 GLN CA . 34868 2
45 . 1 . 1 8 8 GLN CB C 13 29.750 0.052 . 1 . . . . A 4 GLN CB . 34868 2
46 . 1 . 1 8 8 GLN CG C 13 33.892 0.000 . 1 . . . . A 4 GLN CG . 34868 2
47 . 1 . 1 9 9 ASN HA H 1 4.993 0.018 . 1 . . . . A 5 ASN HA . 34868 2
48 . 1 . 1 9 9 ASN HB2 H 1 2.873 0.006 . 2 . . . . A 5 ASN HB2 . 34868 2
49 . 1 . 1 9 9 ASN HB3 H 1 2.775 0.000 . 2 . . . . A 5 ASN HB3 . 34868 2
50 . 1 . 1 9 9 ASN CA C 13 50.995 0.011 . 1 . . . . A 5 ASN CA . 34868 2
51 . 1 . 1 9 9 ASN CB C 13 38.861 0.016 . 1 . . . . A 5 ASN CB . 34868 2
52 . 1 . 1 10 10 PRO HA H 1 4.478 0.007 . 1 . . . . A 6 PRO HA . 34868 2
53 . 1 . 1 10 10 PRO HB2 H 1 1.986 0.007 . 2 . . . . A 6 PRO HB2 . 34868 2
54 . 1 . 1 10 10 PRO HB3 H 1 2.325 0.001 . 2 . . . . A 6 PRO HB3 . 34868 2
55 . 1 . 1 10 10 PRO HG2 H 1 2.037 0.003 . 1 . . . . A 6 PRO HG2 . 34868 2
56 . 1 . 1 10 10 PRO HG3 H 1 2.037 0.003 . 1 . . . . A 6 PRO HG3 . 34868 2
57 . 1 . 1 10 10 PRO HD2 H 1 3.587 0.010 . 2 . . . . A 6 PRO HD2 . 34868 2
58 . 1 . 1 10 10 PRO HD3 H 1 3.585 0.007 . 2 . . . . A 6 PRO HD3 . 34868 2
59 . 1 . 1 10 10 PRO CA C 13 63.134 0.000 . 1 . . . . A 6 PRO CA . 34868 2
60 . 1 . 1 10 10 PRO CB C 13 32.227 0.084 . 1 . . . . A 6 PRO CB . 34868 2
61 . 1 . 1 10 10 PRO CG C 13 27.019 0.000 . 1 . . . . A 6 PRO CG . 34868 2
62 . 1 . 1 10 10 PRO CD C 13 49.707 0.015 . 1 . . . . A 6 PRO CD . 34868 2
63 . 1 . 1 11 11 LEU HA H 1 4.234 0.015 . 1 . . . . A 7 LEU HA . 34868 2
64 . 1 . 1 11 11 LEU HB2 H 1 1.829 0.006 . 2 . . . . A 7 LEU HB2 . 34868 2
65 . 1 . 1 11 11 LEU HB3 H 1 1.452 0.010 . 2 . . . . A 7 LEU HB3 . 34868 2
66 . 1 . 1 11 11 LEU HG H 1 1.700 0.008 . 1 . . . . A 7 LEU HG . 34868 2
67 . 1 . 1 11 11 LEU HD11 H 1 0.802 0.012 . 2 . . . . A 7 LEU HD11 . 34868 2
68 . 1 . 1 11 11 LEU HD12 H 1 0.802 0.012 . 2 . . . . A 7 LEU HD12 . 34868 2
69 . 1 . 1 11 11 LEU HD13 H 1 0.802 0.012 . 2 . . . . A 7 LEU HD13 . 34868 2
70 . 1 . 1 11 11 LEU HD21 H 1 0.725 0.010 . 2 . . . . A 7 LEU HD21 . 34868 2
71 . 1 . 1 11 11 LEU HD22 H 1 0.725 0.010 . 2 . . . . A 7 LEU HD22 . 34868 2
72 . 1 . 1 11 11 LEU HD23 H 1 0.725 0.010 . 2 . . . . A 7 LEU HD23 . 34868 2
73 . 1 . 1 11 11 LEU CA C 13 58.941 0.022 . 1 . . . . A 7 LEU CA . 34868 2
74 . 1 . 1 11 11 LEU CB C 13 41.576 0.045 . 1 . . . . A 7 LEU CB . 34868 2
75 . 1 . 1 11 11 LEU CG C 13 28.927 0.093 . 1 . . . . A 7 LEU CG . 34868 2
76 . 1 . 1 11 11 LEU CD1 C 13 25.265 0.075 . 2 . . . . A 7 LEU CD1 . 34868 2
77 . 1 . 1 11 11 LEU CD2 C 13 24.893 0.092 . 2 . . . . A 7 LEU CD2 . 34868 2
78 . 1 . 1 12 12 GLU HA H 1 3.631 0.008 . 1 . . . . A 8 GLU HA . 34868 2
79 . 1 . 1 12 12 GLU HB2 H 1 1.952 0.012 . 2 . . . . A 8 GLU HB2 . 34868 2
80 . 1 . 1 12 12 GLU HB3 H 1 2.261 0.011 . 2 . . . . A 8 GLU HB3 . 34868 2
81 . 1 . 1 12 12 GLU HG2 H 1 2.052 0.009 . 2 . . . . A 8 GLU HG2 . 34868 2
82 . 1 . 1 12 12 GLU HG3 H 1 2.300 0.006 . 2 . . . . A 8 GLU HG3 . 34868 2
83 . 1 . 1 12 12 GLU CA C 13 60.021 0.110 . 1 . . . . A 8 GLU CA . 34868 2
84 . 1 . 1 12 12 GLU CB C 13 29.933 0.049 . 1 . . . . A 8 GLU CB . 34868 2
85 . 1 . 1 12 12 GLU CG C 13 37.719 0.070 . 1 . . . . A 8 GLU CG . 34868 2
86 . 1 . 1 13 13 THR HA H 1 3.891 0.010 . 1 . . . . A 9 THR HA . 34868 2
87 . 1 . 1 13 13 THR HB H 1 4.287 0.012 . 1 . . . . A 9 THR HB . 34868 2
88 . 1 . 1 13 13 THR HG21 H 1 1.283 0.008 . 1 . . . . A 9 THR HG21 . 34868 2
89 . 1 . 1 13 13 THR HG22 H 1 1.283 0.008 . 1 . . . . A 9 THR HG22 . 34868 2
90 . 1 . 1 13 13 THR HG23 H 1 1.283 0.008 . 1 . . . . A 9 THR HG23 . 34868 2
91 . 1 . 1 13 13 THR CA C 13 66.813 0.043 . 1 . . . . A 9 THR CA . 34868 2
92 . 1 . 1 13 13 THR CB C 13 68.556 0.029 . 1 . . . . A 9 THR CB . 34868 2
93 . 1 . 1 14 14 VAL H H 1 7.451 0.000 . 1 . . . . A 10 VAL H . 34868 2
94 . 1 . 1 14 14 VAL HA H 1 3.813 0.005 . 1 . . . . A 10 VAL HA . 34868 2
95 . 1 . 1 14 14 VAL HB H 1 2.400 0.010 . 1 . . . . A 10 VAL HB . 34868 2
96 . 1 . 1 14 14 VAL HG11 H 1 0.961 0.009 . 2 . . . . A 10 VAL HG11 . 34868 2
97 . 1 . 1 14 14 VAL HG12 H 1 0.961 0.009 . 2 . . . . A 10 VAL HG12 . 34868 2
98 . 1 . 1 14 14 VAL HG13 H 1 0.961 0.009 . 2 . . . . A 10 VAL HG13 . 34868 2
99 . 1 . 1 14 14 VAL HG21 H 1 1.206 0.009 . 2 . . . . A 10 VAL HG21 . 34868 2
100 . 1 . 1 14 14 VAL HG22 H 1 1.206 0.009 . 2 . . . . A 10 VAL HG22 . 34868 2
101 . 1 . 1 14 14 VAL HG23 H 1 1.206 0.009 . 2 . . . . A 10 VAL HG23 . 34868 2
102 . 1 . 1 14 14 VAL CA C 13 66.375 0.045 . 1 . . . . A 10 VAL CA . 34868 2
103 . 1 . 1 14 14 VAL CB C 13 32.186 0.031 . 1 . . . . A 10 VAL CB . 34868 2
104 . 1 . 1 14 14 VAL CG1 C 13 22.307 0.166 . 2 . . . . A 10 VAL CG1 . 34868 2
105 . 1 . 1 14 14 VAL CG2 C 13 23.045 0.129 . 2 . . . . A 10 VAL CG2 . 34868 2
106 . 1 . 1 15 15 VAL HA H 1 3.650 0.016 . 1 . . . . A 11 VAL HA . 34868 2
107 . 1 . 1 15 15 VAL HB H 1 2.391 0.007 . 1 . . . . A 11 VAL HB . 34868 2
108 . 1 . 1 15 15 VAL HG11 H 1 1.300 0.014 . 2 . . . . A 11 VAL HG11 . 34868 2
109 . 1 . 1 15 15 VAL HG12 H 1 1.300 0.014 . 2 . . . . A 11 VAL HG12 . 34868 2
110 . 1 . 1 15 15 VAL HG13 H 1 1.300 0.014 . 2 . . . . A 11 VAL HG13 . 34868 2
111 . 1 . 1 15 15 VAL HG21 H 1 1.260 0.013 . 2 . . . . A 11 VAL HG21 . 34868 2
112 . 1 . 1 15 15 VAL HG22 H 1 1.260 0.013 . 2 . . . . A 11 VAL HG22 . 34868 2
113 . 1 . 1 15 15 VAL HG23 H 1 1.260 0.013 . 2 . . . . A 11 VAL HG23 . 34868 2
114 . 1 . 1 15 15 VAL CA C 13 67.378 0.036 . 1 . . . . A 11 VAL CA . 34868 2
115 . 1 . 1 15 15 VAL CB C 13 31.331 0.008 . 1 . . . . A 11 VAL CB . 34868 2
116 . 1 . 1 15 15 VAL CG1 C 13 23.379 0.068 . 2 . . . . A 11 VAL CG1 . 34868 2
117 . 1 . 1 15 15 VAL CG2 C 13 22.705 0.109 . 2 . . . . A 11 VAL CG2 . 34868 2
118 . 1 . 1 16 16 LEU HA H 1 4.226 0.006 . 1 . . . . A 12 LEU HA . 34868 2
119 . 1 . 1 16 16 LEU HB2 H 1 2.209 0.006 . 2 . . . . A 12 LEU HB2 . 34868 2
120 . 1 . 1 16 16 LEU HB3 H 1 1.709 0.002 . 2 . . . . A 12 LEU HB3 . 34868 2
121 . 1 . 1 16 16 LEU HG H 1 1.706 0.006 . 1 . . . . A 12 LEU HG . 34868 2
122 . 1 . 1 16 16 LEU HD11 H 1 1.098 0.007 . 2 . . . . A 12 LEU HD11 . 34868 2
123 . 1 . 1 16 16 LEU HD12 H 1 1.098 0.007 . 2 . . . . A 12 LEU HD12 . 34868 2
124 . 1 . 1 16 16 LEU HD13 H 1 1.098 0.007 . 2 . . . . A 12 LEU HD13 . 34868 2
125 . 1 . 1 16 16 LEU HD21 H 1 1.138 0.007 . 2 . . . . A 12 LEU HD21 . 34868 2
126 . 1 . 1 16 16 LEU HD22 H 1 1.138 0.007 . 2 . . . . A 12 LEU HD22 . 34868 2
127 . 1 . 1 16 16 LEU HD23 H 1 1.138 0.007 . 2 . . . . A 12 LEU HD23 . 34868 2
128 . 1 . 1 16 16 LEU CA C 13 58.766 0.078 . 1 . . . . A 12 LEU CA . 34868 2
129 . 1 . 1 16 16 LEU CB C 13 42.507 0.053 . 1 . . . . A 12 LEU CB . 34868 2
130 . 1 . 1 16 16 LEU CG C 13 27.271 0.026 . 1 . . . . A 12 LEU CG . 34868 2
131 . 1 . 1 16 16 LEU CD1 C 13 25.903 0.032 . 2 . . . . A 12 LEU CD1 . 34868 2
132 . 1 . 1 16 16 LEU CD2 C 13 24.519 0.041 . 2 . . . . A 12 LEU CD2 . 34868 2
133 . 1 . 1 17 17 GLN HA H 1 3.902 0.004 . 1 . . . . A 13 GLN HA . 34868 2
134 . 1 . 1 17 17 GLN HB2 H 1 2.275 0.014 . 2 . . . . A 13 GLN HB2 . 34868 2
135 . 1 . 1 17 17 GLN HB3 H 1 2.163 0.009 . 2 . . . . A 13 GLN HB3 . 34868 2
136 . 1 . 1 17 17 GLN HG2 H 1 2.444 0.003 . 2 . . . . A 13 GLN HG2 . 34868 2
137 . 1 . 1 17 17 GLN HG3 H 1 2.543 0.000 . 2 . . . . A 13 GLN HG3 . 34868 2
138 . 1 . 1 17 17 GLN CA C 13 58.853 0.044 . 1 . . . . A 13 GLN CA . 34868 2
139 . 1 . 1 17 17 GLN CB C 13 27.995 0.104 . 1 . . . . A 13 GLN CB . 34868 2
140 . 1 . 1 17 17 GLN CG C 13 33.863 0.030 . 1 . . . . A 13 GLN CG . 34868 2
141 . 1 . 1 18 18 ALA HA H 1 4.229 0.002 . 1 . . . . A 14 ALA HA . 34868 2
142 . 1 . 1 18 18 ALA HB1 H 1 1.441 0.006 . 1 . . . . A 14 ALA HB1 . 34868 2
143 . 1 . 1 18 18 ALA HB2 H 1 1.441 0.006 . 1 . . . . A 14 ALA HB2 . 34868 2
144 . 1 . 1 18 18 ALA HB3 H 1 1.441 0.006 . 1 . . . . A 14 ALA HB3 . 34868 2
145 . 1 . 1 18 18 ALA CA C 13 55.046 0.015 . 1 . . . . A 14 ALA CA . 34868 2
146 . 1 . 1 18 18 ALA CB C 13 17.300 0.032 . 1 . . . . A 14 ALA CB . 34868 2
147 . 1 . 1 19 19 TRP HA H 1 4.505 0.014 . 1 . . . . A 15 TRP HA . 34868 2
148 . 1 . 1 19 19 TRP HB2 H 1 3.220 0.016 . 2 . . . . A 15 TRP HB2 . 34868 2
149 . 1 . 1 19 19 TRP HB3 H 1 3.232 0.015 . 2 . . . . A 15 TRP HB3 . 34868 2
150 . 1 . 1 19 19 TRP HD1 H 1 5.773 0.006 . 1 . . . . A 15 TRP HD1 . 34868 2
151 . 1 . 1 19 19 TRP HE3 H 1 7.177 0.007 . 1 . . . . A 15 TRP HE3 . 34868 2
152 . 1 . 1 19 19 TRP HZ2 H 1 7.300 0.014 . 1 . . . . A 15 TRP HZ2 . 34868 2
153 . 1 . 1 19 19 TRP HZ3 H 1 6.535 0.006 . 1 . . . . A 15 TRP HZ3 . 34868 2
154 . 1 . 1 19 19 TRP HH2 H 1 6.916 0.007 . 1 . . . . A 15 TRP HH2 . 34868 2
155 . 1 . 1 19 19 TRP CA C 13 59.345 0.120 . 1 . . . . A 15 TRP CA . 34868 2
156 . 1 . 1 19 19 TRP CB C 13 29.534 0.032 . 1 . . . . A 15 TRP CB . 34868 2
157 . 1 . 1 19 19 TRP CD1 C 13 126.153 0.033 . 1 . . . . A 15 TRP CD1 . 34868 2
158 . 1 . 1 19 19 TRP CE3 C 13 121.541 0.068 . 1 . . . . A 15 TRP CE3 . 34868 2
159 . 1 . 1 19 19 TRP CZ2 C 13 114.806 0.068 . 1 . . . . A 15 TRP CZ2 . 34868 2
160 . 1 . 1 19 19 TRP CZ3 C 13 120.392 0.029 . 1 . . . . A 15 TRP CZ3 . 34868 2
161 . 1 . 1 19 19 TRP CH2 C 13 124.809 0.044 . 1 . . . . A 15 TRP CH2 . 34868 2
162 . 1 . 1 20 20 LYS HA H 1 3.427 0.005 . 1 . . . . A 16 LYS HA . 34868 2
163 . 1 . 1 20 20 LYS HB2 H 1 1.860 0.010 . 2 . . . . A 16 LYS HB2 . 34868 2
164 . 1 . 1 20 20 LYS HB3 H 1 1.861 0.009 . 2 . . . . A 16 LYS HB3 . 34868 2
165 . 1 . 1 20 20 LYS HG2 H 1 1.472 0.018 . 2 . . . . A 16 LYS HG2 . 34868 2
166 . 1 . 1 20 20 LYS HG3 H 1 1.832 0.009 . 2 . . . . A 16 LYS HG3 . 34868 2
167 . 1 . 1 20 20 LYS HD2 H 1 1.767 0.006 . 1 . . . . A 16 LYS HD2 . 34868 2
168 . 1 . 1 20 20 LYS HD3 H 1 1.767 0.006 . 1 . . . . A 16 LYS HD3 . 34868 2
169 . 1 . 1 20 20 LYS HE2 H 1 3.009 0.035 . 2 . . . . A 16 LYS HE2 . 34868 2
170 . 1 . 1 20 20 LYS HE3 H 1 3.114 0.022 . 2 . . . . A 16 LYS HE3 . 34868 2
171 . 1 . 1 20 20 LYS CA C 13 61.411 0.016 . 1 . . . . A 16 LYS CA . 34868 2
172 . 1 . 1 20 20 LYS CB C 13 32.267 0.017 . 1 . . . . A 16 LYS CB . 34868 2
173 . 1 . 1 20 20 LYS CG C 13 25.956 0.038 . 1 . . . . A 16 LYS CG . 34868 2
174 . 1 . 1 20 20 LYS CD C 13 29.971 0.025 . 1 . . . . A 16 LYS CD . 34868 2
175 . 1 . 1 20 20 LYS CE C 13 43.227 0.000 . 1 . . . . A 16 LYS CE . 34868 2
176 . 1 . 1 21 21 ASP HA H 1 4.210 0.007 . 1 . . . . A 17 ASP HA . 34868 2
177 . 1 . 1 21 21 ASP HB2 H 1 2.659 0.004 . 2 . . . . A 17 ASP HB2 . 34868 2
178 . 1 . 1 21 21 ASP HB3 H 1 2.840 0.008 . 2 . . . . A 17 ASP HB3 . 34868 2
179 . 1 . 1 21 21 ASP CA C 13 57.136 0.004 . 1 . . . . A 17 ASP CA . 34868 2
180 . 1 . 1 21 21 ASP CB C 13 41.256 0.065 . 1 . . . . A 17 ASP CB . 34868 2
181 . 1 . 1 22 22 ILE HA H 1 3.473 0.005 . 1 . . . . A 18 ILE HA . 34868 2
182 . 1 . 1 22 22 ILE HB H 1 1.380 0.011 . 1 . . . . A 18 ILE HB . 34868 2
183 . 1 . 1 22 22 ILE HG12 H 1 1.732 0.008 . 2 . . . . A 18 ILE HG12 . 34868 2
184 . 1 . 1 22 22 ILE HG13 H 1 0.950 0.007 . 2 . . . . A 18 ILE HG13 . 34868 2
185 . 1 . 1 22 22 ILE HG21 H 1 0.628 0.004 . 1 . . . . A 18 ILE HG21 . 34868 2
186 . 1 . 1 22 22 ILE HG22 H 1 0.628 0.004 . 1 . . . . A 18 ILE HG22 . 34868 2
187 . 1 . 1 22 22 ILE HG23 H 1 0.628 0.004 . 1 . . . . A 18 ILE HG23 . 34868 2
188 . 1 . 1 22 22 ILE HD11 H 1 0.745 0.009 . 1 . . . . A 18 ILE HD11 . 34868 2
189 . 1 . 1 22 22 ILE HD12 H 1 0.745 0.009 . 1 . . . . A 18 ILE HD12 . 34868 2
190 . 1 . 1 22 22 ILE HD13 H 1 0.745 0.009 . 1 . . . . A 18 ILE HD13 . 34868 2
191 . 1 . 1 22 22 ILE CA C 13 63.798 0.010 . 1 . . . . A 18 ILE CA . 34868 2
192 . 1 . 1 22 22 ILE CB C 13 39.680 0.025 . 1 . . . . A 18 ILE CB . 34868 2
193 . 1 . 1 22 22 ILE CG1 C 13 29.354 0.093 . 1 . . . . A 18 ILE CG1 . 34868 2
194 . 1 . 1 22 22 ILE CG2 C 13 17.075 0.030 . 1 . . . . A 18 ILE CG2 . 34868 2
195 . 1 . 1 22 22 ILE CD1 C 13 13.780 0.029 . 1 . . . . A 18 ILE CD1 . 34868 2
196 . 1 . 1 23 23 SER HA H 1 3.036 0.006 . 1 . . . . A 19 SER HA . 34868 2
197 . 1 . 1 23 23 SER HB2 H 1 1.453 0.004 . 2 . . . . A 19 SER HB2 . 34868 2
198 . 1 . 1 23 23 SER HB3 H 1 3.037 0.006 . 2 . . . . A 19 SER HB3 . 34868 2
199 . 1 . 1 23 23 SER CA C 13 59.196 0.031 . 1 . . . . A 19 SER CA . 34868 2
200 . 1 . 1 23 23 SER CB C 13 65.089 0.021 . 1 . . . . A 19 SER CB . 34868 2
201 . 1 . 1 24 24 GLY HA2 H 1 3.742 0.012 . 2 . . . . A 20 GLY HA2 . 34868 2
202 . 1 . 1 24 24 GLY HA3 H 1 4.003 0.001 . 2 . . . . A 20 GLY HA3 . 34868 2
203 . 1 . 1 24 24 GLY CA C 13 45.641 0.016 . 1 . . . . A 20 GLY CA . 34868 2
204 . 1 . 1 25 25 ALA H H 1 7.399 0.000 . 1 . . . . A 21 ALA H . 34868 2
205 . 1 . 1 25 25 ALA HA H 1 4.375 0.005 . 1 . . . . A 21 ALA HA . 34868 2
206 . 1 . 1 25 25 ALA HB1 H 1 1.190 0.006 . 1 . . . . A 21 ALA HB1 . 34868 2
207 . 1 . 1 25 25 ALA HB2 H 1 1.190 0.006 . 1 . . . . A 21 ALA HB2 . 34868 2
208 . 1 . 1 25 25 ALA HB3 H 1 1.190 0.006 . 1 . . . . A 21 ALA HB3 . 34868 2
209 . 1 . 1 25 25 ALA CA C 13 51.798 0.011 . 1 . . . . A 21 ALA CA . 34868 2
210 . 1 . 1 25 25 ALA CB C 13 18.329 0.020 . 1 . . . . A 21 ALA CB . 34868 2
211 . 1 . 1 26 26 ASP HA H 1 4.526 0.010 . 1 . . . . A 22 ASP HA . 34868 2
212 . 1 . 1 26 26 ASP HB2 H 1 2.655 0.002 . 1 . . . . A 22 ASP HB2 . 34868 2
213 . 1 . 1 26 26 ASP HB3 H 1 2.655 0.002 . 1 . . . . A 22 ASP HB3 . 34868 2
214 . 1 . 1 26 26 ASP CA C 13 55.781 0.046 . 1 . . . . A 22 ASP CA . 34868 2
215 . 1 . 1 26 26 ASP CB C 13 42.037 0.024 . 1 . . . . A 22 ASP CB . 34868 2
216 . 1 . 1 27 27 ASP HA H 1 4.717 0.008 . 1 . . . . A 23 ASP HA . 34868 2
217 . 1 . 1 27 27 ASP HB2 H 1 2.719 0.009 . 2 . . . . A 23 ASP HB2 . 34868 2
218 . 1 . 1 27 27 ASP HB3 H 1 2.749 0.020 . 2 . . . . A 23 ASP HB3 . 34868 2
219 . 1 . 1 27 27 ASP CA C 13 53.284 0.033 . 1 . . . . A 23 ASP CA . 34868 2
220 . 1 . 1 27 27 ASP CB C 13 40.150 0.000 . 1 . . . . A 23 ASP CB . 34868 2
221 . 1 . 1 28 28 PHE HA H 1 4.474 0.009 . 1 . . . . A 24 PHE HA . 34868 2
222 . 1 . 1 28 28 PHE HB2 H 1 3.171 0.020 . 2 . . . . A 24 PHE HB2 . 34868 2
223 . 1 . 1 28 28 PHE HB3 H 1 2.907 0.039 . 2 . . . . A 24 PHE HB3 . 34868 2
224 . 1 . 1 28 28 PHE HD1 H 1 7.264 0.009 . 1 . . . . A 24 PHE HD1 . 34868 2
225 . 1 . 1 28 28 PHE HD2 H 1 7.264 0.009 . 1 . . . . A 24 PHE HD2 . 34868 2
226 . 1 . 1 28 28 PHE HE1 H 1 6.692 0.009 . 1 . . . . A 24 PHE HE1 . 34868 2
227 . 1 . 1 28 28 PHE HE2 H 1 6.692 0.009 . 1 . . . . A 24 PHE HE2 . 34868 2
228 . 1 . 1 28 28 PHE CA C 13 59.260 0.064 . 1 . . . . A 24 PHE CA . 34868 2
229 . 1 . 1 28 28 PHE CB C 13 41.944 0.102 . 1 . . . . A 24 PHE CB . 34868 2
230 . 1 . 1 28 28 PHE CD1 C 13 132.605 0.065 . 1 . . . . A 24 PHE CD1 . 34868 2
231 . 1 . 1 28 28 PHE CD2 C 13 132.605 0.065 . 1 . . . . A 24 PHE CD2 . 34868 2
232 . 1 . 1 28 28 PHE CE1 C 13 131.045 0.051 . 1 . . . . A 24 PHE CE1 . 34868 2
233 . 1 . 1 28 28 PHE CE2 C 13 131.045 0.051 . 1 . . . . A 24 PHE CE2 . 34868 2
234 . 1 . 1 29 29 THR HA H 1 4.952 0.007 . 1 . . . . A 25 THR HA . 34868 2
235 . 1 . 1 29 29 THR HB H 1 4.528 0.010 . 1 . . . . A 25 THR HB . 34868 2
236 . 1 . 1 29 29 THR HG21 H 1 1.208 0.005 . 1 . . . . A 25 THR HG21 . 34868 2
237 . 1 . 1 29 29 THR HG22 H 1 1.208 0.005 . 1 . . . . A 25 THR HG22 . 34868 2
238 . 1 . 1 29 29 THR HG23 H 1 1.208 0.005 . 1 . . . . A 25 THR HG23 . 34868 2
239 . 1 . 1 29 29 THR CA C 13 60.296 0.016 . 1 . . . . A 25 THR CA . 34868 2
240 . 1 . 1 29 29 THR CB C 13 71.730 0.041 . 1 . . . . A 25 THR CB . 34868 2
241 . 1 . 1 29 29 THR CG2 C 13 20.843 0.039 . 1 . . . . A 25 THR CG2 . 34868 2
242 . 1 . 1 30 30 THR HA H 1 3.939 0.009 . 1 . . . . A 26 THR HA . 34868 2
243 . 1 . 1 30 30 THR HB H 1 4.372 0.007 . 1 . . . . A 26 THR HB . 34868 2
244 . 1 . 1 30 30 THR HG21 H 1 1.383 0.012 . 1 . . . . A 26 THR HG21 . 34868 2
245 . 1 . 1 30 30 THR HG22 H 1 1.383 0.012 . 1 . . . . A 26 THR HG22 . 34868 2
246 . 1 . 1 30 30 THR HG23 H 1 1.383 0.012 . 1 . . . . A 26 THR HG23 . 34868 2
247 . 1 . 1 30 30 THR CA C 13 64.476 0.043 . 1 . . . . A 26 THR CA . 34868 2
248 . 1 . 1 30 30 THR CB C 13 68.487 0.026 . 1 . . . . A 26 THR CB . 34868 2
249 . 1 . 1 30 30 THR CG2 C 13 23.617 0.030 . 1 . . . . A 26 THR CG2 . 34868 2
250 . 1 . 1 31 31 THR HA H 1 4.466 0.008 . 1 . . . . A 27 THR HA . 34868 2
251 . 1 . 1 31 31 THR HB H 1 4.395 0.006 . 1 . . . . A 27 THR HB . 34868 2
252 . 1 . 1 31 31 THR HG21 H 1 1.046 0.003 . 1 . . . . A 27 THR HG21 . 34868 2
253 . 1 . 1 31 31 THR HG22 H 1 1.046 0.003 . 1 . . . . A 27 THR HG22 . 34868 2
254 . 1 . 1 31 31 THR HG23 H 1 1.046 0.003 . 1 . . . . A 27 THR HG23 . 34868 2
255 . 1 . 1 31 31 THR CA C 13 60.483 0.041 . 1 . . . . A 27 THR CA . 34868 2
256 . 1 . 1 31 31 THR CB C 13 69.244 0.021 . 1 . . . . A 27 THR CB . 34868 2
257 . 1 . 1 31 31 THR CG2 C 13 21.335 0.051 . 1 . . . . A 27 THR CG2 . 34868 2
258 . 1 . 1 32 32 ASP HA H 1 4.383 0.007 . 1 . . . . A 28 ASP HA . 34868 2
259 . 1 . 1 32 32 ASP HB2 H 1 1.306 0.005 . 2 . . . . A 28 ASP HB2 . 34868 2
260 . 1 . 1 32 32 ASP HB3 H 1 1.800 0.007 . 2 . . . . A 28 ASP HB3 . 34868 2
261 . 1 . 1 32 32 ASP CA C 13 54.323 0.041 . 1 . . . . A 28 ASP CA . 34868 2
262 . 1 . 1 32 32 ASP CB C 13 41.919 0.053 . 1 . . . . A 28 ASP CB . 34868 2
263 . 1 . 1 33 33 SER HA H 1 4.681 0.004 . 1 . . . . A 29 SER HA . 34868 2
264 . 1 . 1 33 33 SER HB2 H 1 3.858 0.004 . 2 . . . . A 29 SER HB2 . 34868 2
265 . 1 . 1 33 33 SER HB3 H 1 4.001 0.005 . 2 . . . . A 29 SER HB3 . 34868 2
266 . 1 . 1 33 33 SER CA C 13 56.721 0.043 . 1 . . . . A 29 SER CA . 34868 2
267 . 1 . 1 33 33 SER CB C 13 63.842 0.016 . 1 . . . . A 29 SER CB . 34868 2
268 . 1 . 1 34 34 PHE HA H 1 4.279 0.029 . 1 . . . . A 30 PHE HA . 34868 2
269 . 1 . 1 34 34 PHE HB2 H 1 2.414 0.009 . 2 . . . . A 30 PHE HB2 . 34868 2
270 . 1 . 1 34 34 PHE HB3 H 1 2.673 0.015 . 2 . . . . A 30 PHE HB3 . 34868 2
271 . 1 . 1 34 34 PHE HD1 H 1 5.923 0.007 . 3 . . . . A 30 PHE HD1 . 34868 2
272 . 1 . 1 34 34 PHE HD2 H 1 7.024 0.018 . 3 . . . . A 30 PHE HD2 . 34868 2
273 . 1 . 1 34 34 PHE HE1 H 1 6.538 0.011 . 3 . . . . A 30 PHE HE1 . 34868 2
274 . 1 . 1 34 34 PHE HE2 H 1 6.648 0.016 . 3 . . . . A 30 PHE HE2 . 34868 2
275 . 1 . 1 34 34 PHE HZ H 1 7.202 0.009 . 1 . . . . A 30 PHE HZ . 34868 2
276 . 1 . 1 34 34 PHE CA C 13 60.223 0.024 . 1 . . . . A 30 PHE CA . 34868 2
277 . 1 . 1 34 34 PHE CB C 13 39.082 0.116 . 1 . . . . A 30 PHE CB . 34868 2
278 . 1 . 1 34 34 PHE CD1 C 13 131.234 0.070 . 3 . . . . A 30 PHE CD1 . 34868 2
279 . 1 . 1 34 34 PHE CD2 C 13 131.651 0.078 . 3 . . . . A 30 PHE CD2 . 34868 2
280 . 1 . 1 34 34 PHE CE1 C 13 128.458 0.048 . 3 . . . . A 30 PHE CE1 . 34868 2
281 . 1 . 1 34 34 PHE CE2 C 13 130.237 0.049 . 3 . . . . A 30 PHE CE2 . 34868 2
282 . 1 . 1 34 34 PHE CZ C 13 129.724 0.042 . 1 . . . . A 30 PHE CZ . 34868 2
283 . 1 . 1 35 35 LEU HA H 1 4.348 0.018 . 1 . . . . A 31 LEU HA . 34868 2
284 . 1 . 1 35 35 LEU HB3 H 1 1.720 0.000 . 1 . . . . A 31 LEU HB3 . 34868 2
285 . 1 . 1 35 35 LEU HG H 1 1.695 0.022 . 1 . . . . A 31 LEU HG . 34868 2
286 . 1 . 1 35 35 LEU HD11 H 1 0.792 0.013 . 2 . . . . A 31 LEU HD11 . 34868 2
287 . 1 . 1 35 35 LEU HD12 H 1 0.792 0.013 . 2 . . . . A 31 LEU HD12 . 34868 2
288 . 1 . 1 35 35 LEU HD13 H 1 0.792 0.013 . 2 . . . . A 31 LEU HD13 . 34868 2
289 . 1 . 1 35 35 LEU HD21 H 1 0.917 0.029 . 2 . . . . A 31 LEU HD21 . 34868 2
290 . 1 . 1 35 35 LEU HD22 H 1 0.917 0.029 . 2 . . . . A 31 LEU HD22 . 34868 2
291 . 1 . 1 35 35 LEU HD23 H 1 0.917 0.029 . 2 . . . . A 31 LEU HD23 . 34868 2
292 . 1 . 1 35 35 LEU CA C 13 56.509 0.156 . 1 . . . . A 31 LEU CA . 34868 2
293 . 1 . 1 35 35 LEU CG C 13 27.526 0.041 . 1 . . . . A 31 LEU CG . 34868 2
294 . 1 . 1 35 35 LEU CD1 C 13 24.147 0.102 . 2 . . . . A 31 LEU CD1 . 34868 2
295 . 1 . 1 35 35 LEU CD2 C 13 24.920 0.020 . 2 . . . . A 31 LEU CD2 . 34868 2
296 . 1 . 1 36 36 GLY HA2 H 1 3.967 0.018 . 2 . . . . A 32 GLY HA2 . 34868 2
297 . 1 . 1 36 36 GLY HA3 H 1 4.107 0.000 . 2 . . . . A 32 GLY HA3 . 34868 2
298 . 1 . 1 36 36 GLY CA C 13 45.736 0.085 . 1 . . . . A 32 GLY CA . 34868 2
299 . 1 . 1 37 37 HIS HA H 1 4.848 0.005 . 1 . . . . A 33 HIS HA . 34868 2
300 . 1 . 1 37 37 HIS HB2 H 1 3.681 0.004 . 2 . . . . A 33 HIS HB2 . 34868 2
301 . 1 . 1 37 37 HIS HB3 H 1 3.407 0.009 . 2 . . . . A 33 HIS HB3 . 34868 2
302 . 1 . 1 37 37 HIS HD2 H 1 7.343 0.006 . 1 . . . . A 33 HIS HD2 . 34868 2
303 . 1 . 1 37 37 HIS CA C 13 56.417 0.043 . 1 . . . . A 33 HIS CA . 34868 2
304 . 1 . 1 37 37 HIS CB C 13 30.390 0.051 . 1 . . . . A 33 HIS CB . 34868 2
305 . 1 . 1 37 37 HIS CD2 C 13 120.593 0.056 . 1 . . . . A 33 HIS CD2 . 34868 2
306 . 1 . 1 38 38 GLY HA2 H 1 4.230 0.014 . 2 . . . . A 34 GLY HA2 . 34868 2
307 . 1 . 1 38 38 GLY HA3 H 1 3.967 0.014 . 2 . . . . A 34 GLY HA3 . 34868 2
308 . 1 . 1 38 38 GLY CA C 13 45.704 0.059 . 1 . . . . A 34 GLY CA . 34868 2
309 . 1 . 1 39 39 GLY HA2 H 1 3.966 0.014 . 2 . . . . A 35 GLY HA2 . 34868 2
310 . 1 . 1 39 39 GLY HA3 H 1 4.238 0.016 . 2 . . . . A 35 GLY HA3 . 34868 2
311 . 1 . 1 39 39 GLY CA C 13 45.704 0.059 . 1 . . . . A 35 GLY CA . 34868 2
312 . 1 . 1 40 40 ASN HA H 1 4.657 0.003 . 1 . . . . A 36 ASN HA . 34868 2
313 . 1 . 1 40 40 ASN HB2 H 1 2.728 0.025 . 2 . . . . A 36 ASN HB2 . 34868 2
314 . 1 . 1 40 40 ASN HB3 H 1 2.490 0.003 . 2 . . . . A 36 ASN HB3 . 34868 2
315 . 1 . 1 40 40 ASN CA C 13 52.269 0.131 . 1 . . . . A 36 ASN CA . 34868 2
316 . 1 . 1 40 40 ASN CB C 13 39.367 0.132 . 1 . . . . A 36 ASN CB . 34868 2
317 . 1 . 1 41 41 4HH CA C 13 60.155 0.035 . 1 . . . . A 37 4HH CA . 34868 2
318 . 1 . 1 41 41 4HH CB C 13 65.820 0.045 . 1 . . . . A 37 4HH CB . 34868 2
319 . 1 . 1 41 41 4HH CJ C 13 74.226 0.023 . 1 . . . . A 37 4HH CJ . 34868 2
320 . 1 . 1 41 41 4HH CL1 C 13 23.890 0.034 . 1 . . . . A 37 4HH CL1 . 34868 2
321 . 1 . 1 41 41 4HH CL2 C 13 21.636 0.034 . 1 . . . . A 37 4HH CL2 . 34868 2
322 . 1 . 1 41 41 4HH CM C 13 76.817 0.010 . 1 . . . . A 37 4HH CM . 34868 2
323 . 1 . 1 41 41 4HH CO C 13 38.123 0.024 . 1 . . . . A 37 4HH CO . 34868 2
324 . 1 . 1 41 41 4HH CP C 13 37.959 0.031 . 1 . . . . A 37 4HH CP . 34868 2
325 . 1 . 1 41 41 4HH CS C 13 44.979 0.000 . 1 . . . . A 37 4HH CS . 34868 2
326 . 1 . 1 41 41 4HH CT C 13 25.860 0.035 . 1 . . . . A 37 4HH CT . 34868 2
327 . 1 . 1 41 41 4HH HA H 1 3.875 0.005 . 1 . . . . A 37 4HH HA . 34868 2
328 . 1 . 1 41 41 4HH HB2 H 1 4.204 0.008 . 2 . . . . A 37 4HH HB2 . 34868 2
329 . 1 . 1 41 41 4HH HB2 H 1 4.206 0.007 . 2 . . . . A 37 4HH HB2 . 34868 2
330 . 1 . 1 41 41 4HH HJ2 H 1 3.827 0.014 . 2 . . . . A 37 4HH HJ2 . 34868 2
331 . 1 . 1 41 41 4HH HJ3 H 1 3.418 0.012 . 2 . . . . A 37 4HH HJ3 . 34868 2
332 . 1 . 1 41 41 4HH HL11 H 1 1.011 0.006 . 1 . . . . A 37 4HH HL11 . 34868 2
333 . 1 . 1 41 41 4HH HL12 H 1 1.011 0.006 . 1 . . . . A 37 4HH HL12 . 34868 2
334 . 1 . 1 41 41 4HH HL13 H 1 1.011 0.006 . 1 . . . . A 37 4HH HL13 . 34868 2
335 . 1 . 1 41 41 4HH HL21 H 1 0.867 0.010 . 1 . . . . A 37 4HH HL21 . 34868 2
336 . 1 . 1 41 41 4HH HL22 H 1 0.867 0.010 . 1 . . . . A 37 4HH HL22 . 34868 2
337 . 1 . 1 41 41 4HH HL23 H 1 0.867 0.010 . 1 . . . . A 37 4HH HL23 . 34868 2
338 . 1 . 1 41 41 4HH HL3 H 1 4.045 0.007 . 1 . . . . A 37 4HH HL3 . 34868 2
339 . 1 . 1 41 41 4HH HO2 H 1 3.431 0.013 . 1 . . . . A 37 4HH HO2 . 34868 2
340 . 1 . 1 41 41 4HH HO3 H 1 3.431 0.013 . 1 . . . . A 37 4HH HO3 . 34868 2
341 . 1 . 1 41 41 4HH HP2 H 1 2.425 0.003 . 1 . . . . A 37 4HH HP2 . 34868 2
342 . 1 . 1 41 41 4HH HP3 H 1 2.425 0.003 . 1 . . . . A 37 4HH HP3 . 34868 2
343 . 1 . 1 41 41 4HH HS2 H 1 3.298 0.000 . 1 . . . . A 37 4HH HS2 . 34868 2
344 . 1 . 1 41 41 4HH HS3 H 1 3.298 0.000 . 1 . . . . A 37 4HH HS3 . 34868 2
345 . 1 . 1 41 41 4HH HT2 H 1 2.589 0.004 . 1 . . . . A 37 4HH HT2 . 34868 2
346 . 1 . 1 41 41 4HH HT3 H 1 2.589 0.004 . 1 . . . . A 37 4HH HT3 . 34868 2
347 . 1 . 1 42 42 LEU HA H 1 4.178 0.006 . 1 . . . . A 38 LEU HA . 34868 2
348 . 1 . 1 42 42 LEU HB2 H 1 1.602 0.011 . 2 . . . . A 38 LEU HB2 . 34868 2
349 . 1 . 1 42 42 LEU HB3 H 1 1.503 0.012 . 2 . . . . A 38 LEU HB3 . 34868 2
350 . 1 . 1 42 42 LEU HG H 1 1.618 0.003 . 1 . . . . A 38 LEU HG . 34868 2
351 . 1 . 1 42 42 LEU HD11 H 1 0.889 0.014 . 2 . . . . A 38 LEU HD11 . 34868 2
352 . 1 . 1 42 42 LEU HD12 H 1 0.889 0.014 . 2 . . . . A 38 LEU HD12 . 34868 2
353 . 1 . 1 42 42 LEU HD13 H 1 0.889 0.014 . 2 . . . . A 38 LEU HD13 . 34868 2
354 . 1 . 1 42 42 LEU HD21 H 1 0.911 0.017 . 2 . . . . A 38 LEU HD21 . 34868 2
355 . 1 . 1 42 42 LEU HD22 H 1 0.911 0.017 . 2 . . . . A 38 LEU HD22 . 34868 2
356 . 1 . 1 42 42 LEU HD23 H 1 0.911 0.017 . 2 . . . . A 38 LEU HD23 . 34868 2
357 . 1 . 1 42 42 LEU CA C 13 57.762 0.078 . 1 . . . . A 38 LEU CA . 34868 2
358 . 1 . 1 42 42 LEU CB C 13 41.162 0.030 . 1 . . . . A 38 LEU CB . 34868 2
359 . 1 . 1 42 42 LEU CG C 13 27.106 0.090 . 1 . . . . A 38 LEU CG . 34868 2
360 . 1 . 1 42 42 LEU CD1 C 13 24.143 0.028 . 2 . . . . A 38 LEU CD1 . 34868 2
361 . 1 . 1 42 42 LEU CD2 C 13 24.140 0.030 . 2 . . . . A 38 LEU CD2 . 34868 2
362 . 1 . 1 43 43 HIS H H 1 7.795 0.003 . 1 . . . . A 39 HIS H . 34868 2
363 . 1 . 1 43 43 HIS HA H 1 4.468 0.006 . 1 . . . . A 39 HIS HA . 34868 2
364 . 1 . 1 43 43 HIS HB2 H 1 3.196 0.007 . 2 . . . . A 39 HIS HB2 . 34868 2
365 . 1 . 1 43 43 HIS HB3 H 1 2.976 0.004 . 2 . . . . A 39 HIS HB3 . 34868 2
366 . 1 . 1 43 43 HIS HD2 H 1 6.755 0.005 . 1 . . . . A 39 HIS HD2 . 34868 2
367 . 1 . 1 43 43 HIS CA C 13 57.557 0.047 . 1 . . . . A 39 HIS CA . 34868 2
368 . 1 . 1 43 43 HIS CB C 13 31.251 0.060 . 1 . . . . A 39 HIS CB . 34868 2
369 . 1 . 1 43 43 HIS CD2 C 13 117.398 0.028 . 1 . . . . A 39 HIS CD2 . 34868 2
370 . 1 . 1 44 44 PHE H H 1 7.795 0.003 . 1 . . . . A 40 PHE H . 34868 2
371 . 1 . 1 44 44 PHE HA H 1 4.416 0.014 . 1 . . . . A 40 PHE HA . 34868 2
372 . 1 . 1 44 44 PHE HB2 H 1 3.002 0.008 . 2 . . . . A 40 PHE HB2 . 34868 2
373 . 1 . 1 44 44 PHE HB3 H 1 3.369 0.009 . 2 . . . . A 40 PHE HB3 . 34868 2
374 . 1 . 1 44 44 PHE HD1 H 1 6.978 0.006 . 1 . . . . A 40 PHE HD1 . 34868 2
375 . 1 . 1 44 44 PHE HD2 H 1 6.978 0.006 . 1 . . . . A 40 PHE HD2 . 34868 2
376 . 1 . 1 44 44 PHE HE1 H 1 7.038 0.014 . 1 . . . . A 40 PHE HE1 . 34868 2
377 . 1 . 1 44 44 PHE HE2 H 1 7.038 0.014 . 1 . . . . A 40 PHE HE2 . 34868 2
378 . 1 . 1 44 44 PHE CA C 13 59.738 0.085 . 1 . . . . A 40 PHE CA . 34868 2
379 . 1 . 1 44 44 PHE CB C 13 37.760 0.078 . 1 . . . . A 40 PHE CB . 34868 2
380 . 1 . 1 44 44 PHE CD1 C 13 130.693 0.167 . 1 . . . . A 40 PHE CD1 . 34868 2
381 . 1 . 1 44 44 PHE CD2 C 13 130.693 0.167 . 1 . . . . A 40 PHE CD2 . 34868 2
382 . 1 . 1 44 44 PHE CE1 C 13 131.426 0.089 . 1 . . . . A 40 PHE CE1 . 34868 2
383 . 1 . 1 44 44 PHE CE2 C 13 131.426 0.089 . 1 . . . . A 40 PHE CE2 . 34868 2
384 . 1 . 1 45 45 VAL HA H 1 3.859 0.009 . 1 . . . . A 41 VAL HA . 34868 2
385 . 1 . 1 45 45 VAL HB H 1 2.353 0.014 . 1 . . . . A 41 VAL HB . 34868 2
386 . 1 . 1 45 45 VAL HG11 H 1 1.071 0.009 . 2 . . . . A 41 VAL HG11 . 34868 2
387 . 1 . 1 45 45 VAL HG12 H 1 1.071 0.009 . 2 . . . . A 41 VAL HG12 . 34868 2
388 . 1 . 1 45 45 VAL HG13 H 1 1.071 0.009 . 2 . . . . A 41 VAL HG13 . 34868 2
389 . 1 . 1 45 45 VAL HG21 H 1 1.236 0.003 . 2 . . . . A 41 VAL HG21 . 34868 2
390 . 1 . 1 45 45 VAL HG22 H 1 1.236 0.003 . 2 . . . . A 41 VAL HG22 . 34868 2
391 . 1 . 1 45 45 VAL HG23 H 1 1.236 0.003 . 2 . . . . A 41 VAL HG23 . 34868 2
392 . 1 . 1 45 45 VAL CA C 13 65.754 0.061 . 1 . . . . A 41 VAL CA . 34868 2
393 . 1 . 1 45 45 VAL CB C 13 32.085 0.037 . 1 . . . . A 41 VAL CB . 34868 2
394 . 1 . 1 45 45 VAL CG1 C 13 20.889 0.071 . 2 . . . . A 41 VAL CG1 . 34868 2
395 . 1 . 1 45 45 VAL CG2 C 13 22.707 0.035 . 2 . . . . A 41 VAL CG2 . 34868 2
396 . 1 . 1 46 46 GLN HA H 1 4.163 0.019 . 1 . . . . A 42 GLN HA . 34868 2
397 . 1 . 1 46 46 GLN HB2 H 1 2.057 0.005 . 2 . . . . A 42 GLN HB2 . 34868 2
398 . 1 . 1 46 46 GLN HB3 H 1 2.326 0.008 . 2 . . . . A 42 GLN HB3 . 34868 2
399 . 1 . 1 46 46 GLN HG2 H 1 2.447 0.014 . 2 . . . . A 42 GLN HG2 . 34868 2
400 . 1 . 1 46 46 GLN HG3 H 1 2.620 0.011 . 2 . . . . A 42 GLN HG3 . 34868 2
401 . 1 . 1 46 46 GLN CA C 13 58.757 0.040 . 1 . . . . A 42 GLN CA . 34868 2
402 . 1 . 1 46 46 GLN CB C 13 28.978 0.082 . 1 . . . . A 42 GLN CB . 34868 2
403 . 1 . 1 46 46 GLN CG C 13 34.468 0.078 . 1 . . . . A 42 GLN CG . 34868 2
404 . 1 . 1 47 47 LEU HA H 1 3.978 0.008 . 1 . . . . A 43 LEU HA . 34868 2
405 . 1 . 1 47 47 LEU HB2 H 1 2.051 0.014 . 2 . . . . A 43 LEU HB2 . 34868 2
406 . 1 . 1 47 47 LEU HB3 H 1 1.704 0.010 . 2 . . . . A 43 LEU HB3 . 34868 2
407 . 1 . 1 47 47 LEU HG H 1 1.397 0.006 . 1 . . . . A 43 LEU HG . 34868 2
408 . 1 . 1 47 47 LEU HD11 H 1 0.344 0.006 . 2 . . . . A 43 LEU HD11 . 34868 2
409 . 1 . 1 47 47 LEU HD12 H 1 0.344 0.006 . 2 . . . . A 43 LEU HD12 . 34868 2
410 . 1 . 1 47 47 LEU HD13 H 1 0.344 0.006 . 2 . . . . A 43 LEU HD13 . 34868 2
411 . 1 . 1 47 47 LEU HD21 H 1 1.005 0.008 . 2 . . . . A 43 LEU HD21 . 34868 2
412 . 1 . 1 47 47 LEU HD22 H 1 1.005 0.008 . 2 . . . . A 43 LEU HD22 . 34868 2
413 . 1 . 1 47 47 LEU HD23 H 1 1.005 0.008 . 2 . . . . A 43 LEU HD23 . 34868 2
414 . 1 . 1 47 47 LEU CA C 13 58.434 0.066 . 1 . . . . A 43 LEU CA . 34868 2
415 . 1 . 1 47 47 LEU CB C 13 41.778 0.081 . 1 . . . . A 43 LEU CB . 34868 2
416 . 1 . 1 47 47 LEU CG C 13 26.905 0.057 . 1 . . . . A 43 LEU CG . 34868 2
417 . 1 . 1 47 47 LEU CD1 C 13 25.696 0.028 . 2 . . . . A 43 LEU CD1 . 34868 2
418 . 1 . 1 47 47 LEU CD2 C 13 23.348 0.095 . 2 . . . . A 43 LEU CD2 . 34868 2
419 . 1 . 1 48 48 ALA HA H 1 3.703 0.004 . 1 . . . . A 44 ALA HA . 34868 2
420 . 1 . 1 48 48 ALA HB1 H 1 1.393 0.008 . 1 . . . . A 44 ALA HB1 . 34868 2
421 . 1 . 1 48 48 ALA HB2 H 1 1.393 0.008 . 1 . . . . A 44 ALA HB2 . 34868 2
422 . 1 . 1 48 48 ALA HB3 H 1 1.393 0.008 . 1 . . . . A 44 ALA HB3 . 34868 2
423 . 1 . 1 48 48 ALA CA C 13 56.161 0.011 . 1 . . . . A 44 ALA CA . 34868 2
424 . 1 . 1 48 48 ALA CB C 13 17.230 0.026 . 1 . . . . A 44 ALA CB . 34868 2
425 . 1 . 1 49 49 SER HA H 1 4.295 0.008 . 1 . . . . A 45 SER HA . 34868 2
426 . 1 . 1 49 49 SER HB2 H 1 4.027 0.012 . 2 . . . . A 45 SER HB2 . 34868 2
427 . 1 . 1 49 49 SER HB3 H 1 4.031 0.016 . 2 . . . . A 45 SER HB3 . 34868 2
428 . 1 . 1 49 49 SER CA C 13 61.317 0.096 . 1 . . . . A 45 SER CA . 34868 2
429 . 1 . 1 49 49 SER CB C 13 63.075 0.030 . 1 . . . . A 45 SER CB . 34868 2
430 . 1 . 1 50 50 ARG HA H 1 4.139 0.015 . 1 . . . . A 46 ARG HA . 34868 2
431 . 1 . 1 50 50 ARG HB2 H 1 2.147 0.004 . 2 . . . . A 46 ARG HB2 . 34868 2
432 . 1 . 1 50 50 ARG HB3 H 1 1.921 0.002 . 2 . . . . A 46 ARG HB3 . 34868 2
433 . 1 . 1 50 50 ARG HG2 H 1 1.759 0.005 . 2 . . . . A 46 ARG HG2 . 34868 2
434 . 1 . 1 50 50 ARG HG3 H 1 1.761 0.006 . 2 . . . . A 46 ARG HG3 . 34868 2
435 . 1 . 1 50 50 ARG HD2 H 1 3.162 0.014 . 2 . . . . A 46 ARG HD2 . 34868 2
436 . 1 . 1 50 50 ARG HD3 H 1 3.306 0.003 . 2 . . . . A 46 ARG HD3 . 34868 2
437 . 1 . 1 50 50 ARG CA C 13 58.982 0.090 . 1 . . . . A 46 ARG CA . 34868 2
438 . 1 . 1 50 50 ARG CB C 13 29.910 0.023 . 1 . . . . A 46 ARG CB . 34868 2
439 . 1 . 1 50 50 ARG CG C 13 26.798 0.080 . 1 . . . . A 46 ARG CG . 34868 2
440 . 1 . 1 50 50 ARG CD C 13 42.788 0.037 . 1 . . . . A 46 ARG CD . 34868 2
441 . 1 . 1 51 51 LEU HA H 1 4.068 0.016 . 1 . . . . A 47 LEU HA . 34868 2
442 . 1 . 1 51 51 LEU HB2 H 1 1.514 0.013 . 2 . . . . A 47 LEU HB2 . 34868 2
443 . 1 . 1 51 51 LEU HB3 H 1 2.128 0.017 . 2 . . . . A 47 LEU HB3 . 34868 2
444 . 1 . 1 51 51 LEU HG H 1 2.340 0.010 . 1 . . . . A 47 LEU HG . 34868 2
445 . 1 . 1 51 51 LEU HD11 H 1 0.962 0.013 . 1 . . . . A 47 LEU HD11 . 34868 2
446 . 1 . 1 51 51 LEU HD12 H 1 0.962 0.013 . 1 . . . . A 47 LEU HD12 . 34868 2
447 . 1 . 1 51 51 LEU HD13 H 1 0.962 0.013 . 1 . . . . A 47 LEU HD13 . 34868 2
448 . 1 . 1 51 51 LEU HD21 H 1 0.962 0.013 . 1 . . . . A 47 LEU HD21 . 34868 2
449 . 1 . 1 51 51 LEU HD22 H 1 0.962 0.013 . 1 . . . . A 47 LEU HD22 . 34868 2
450 . 1 . 1 51 51 LEU HD23 H 1 0.962 0.013 . 1 . . . . A 47 LEU HD23 . 34868 2
451 . 1 . 1 51 51 LEU CA C 13 58.286 0.072 . 1 . . . . A 47 LEU CA . 34868 2
452 . 1 . 1 51 51 LEU CB C 13 41.131 0.061 . 1 . . . . A 47 LEU CB . 34868 2
453 . 1 . 1 51 51 LEU CG C 13 26.416 0.027 . 1 . . . . A 47 LEU CG . 34868 2
454 . 1 . 1 51 51 LEU CD1 C 13 27.190 0.037 . 2 . . . . A 47 LEU CD1 . 34868 2
455 . 1 . 1 51 51 LEU CD2 C 13 27.191 0.037 . 2 . . . . A 47 LEU CD2 . 34868 2
456 . 1 . 1 52 52 GLN HA H 1 4.689 0.008 . 1 . . . . A 48 GLN HA . 34868 2
457 . 1 . 1 52 52 GLN HB2 H 1 2.304 0.007 . 2 . . . . A 48 GLN HB2 . 34868 2
458 . 1 . 1 52 52 GLN HB3 H 1 2.526 0.004 . 2 . . . . A 48 GLN HB3 . 34868 2
459 . 1 . 1 52 52 GLN HG2 H 1 2.765 0.004 . 2 . . . . A 48 GLN HG2 . 34868 2
460 . 1 . 1 52 52 GLN HG3 H 1 2.412 0.003 . 2 . . . . A 48 GLN HG3 . 34868 2
461 . 1 . 1 52 52 GLN CA C 13 59.365 0.039 . 1 . . . . A 48 GLN CA . 34868 2
462 . 1 . 1 52 52 GLN CB C 13 28.542 0.008 . 1 . . . . A 48 GLN CB . 34868 2
463 . 1 . 1 52 52 GLN CG C 13 33.536 0.109 . 1 . . . . A 48 GLN CG . 34868 2
464 . 1 . 1 53 53 LYS HA H 1 4.122 0.005 . 1 . . . . A 49 LYS HA . 34868 2
465 . 1 . 1 53 53 LYS HB2 H 1 2.032 0.009 . 2 . . . . A 49 LYS HB2 . 34868 2
466 . 1 . 1 53 53 LYS HB3 H 1 2.034 0.009 . 2 . . . . A 49 LYS HB3 . 34868 2
467 . 1 . 1 53 53 LYS HG2 H 1 1.562 0.001 . 2 . . . . A 49 LYS HG2 . 34868 2
468 . 1 . 1 53 53 LYS HG3 H 1 1.558 0.005 . 2 . . . . A 49 LYS HG3 . 34868 2
469 . 1 . 1 53 53 LYS HD2 H 1 1.731 0.008 . 1 . . . . A 49 LYS HD2 . 34868 2
470 . 1 . 1 53 53 LYS HD3 H 1 1.732 0.008 . 1 . . . . A 49 LYS HD3 . 34868 2
471 . 1 . 1 53 53 LYS HE2 H 1 2.991 0.014 . 2 . . . . A 49 LYS HE2 . 34868 2
472 . 1 . 1 53 53 LYS HE3 H 1 2.990 0.014 . 2 . . . . A 49 LYS HE3 . 34868 2
473 . 1 . 1 53 53 LYS CA C 13 58.835 0.060 . 1 . . . . A 49 LYS CA . 34868 2
474 . 1 . 1 53 53 LYS CB C 13 32.313 0.079 . 1 . . . . A 49 LYS CB . 34868 2
475 . 1 . 1 53 53 LYS CG C 13 25.045 0.031 . 1 . . . . A 49 LYS CG . 34868 2
476 . 1 . 1 53 53 LYS CD C 13 28.784 0.072 . 1 . . . . A 49 LYS CD . 34868 2
477 . 1 . 1 53 53 LYS CE C 13 41.903 0.075 . 1 . . . . A 49 LYS CE . 34868 2
478 . 1 . 1 54 54 ILE HA H 1 3.606 0.007 . 1 . . . . A 50 ILE HA . 34868 2
479 . 1 . 1 54 54 ILE HB H 1 1.226 0.009 . 1 . . . . A 50 ILE HB . 34868 2
480 . 1 . 1 54 54 ILE HG12 H 1 1.704 0.005 . 2 . . . . A 50 ILE HG12 . 34868 2
481 . 1 . 1 54 54 ILE HG13 H 1 0.852 0.045 . 2 . . . . A 50 ILE HG13 . 34868 2
482 . 1 . 1 54 54 ILE HG21 H 1 0.084 0.007 . 1 . . . . A 50 ILE HG21 . 34868 2
483 . 1 . 1 54 54 ILE HG22 H 1 0.084 0.007 . 1 . . . . A 50 ILE HG22 . 34868 2
484 . 1 . 1 54 54 ILE HG23 H 1 0.084 0.007 . 1 . . . . A 50 ILE HG23 . 34868 2
485 . 1 . 1 54 54 ILE HD11 H 1 0.631 0.010 . 1 . . . . A 50 ILE HD11 . 34868 2
486 . 1 . 1 54 54 ILE HD12 H 1 0.631 0.010 . 1 . . . . A 50 ILE HD12 . 34868 2
487 . 1 . 1 54 54 ILE HD13 H 1 0.631 0.010 . 1 . . . . A 50 ILE HD13 . 34868 2
488 . 1 . 1 54 54 ILE CA C 13 65.353 0.082 . 1 . . . . A 50 ILE CA . 34868 2
489 . 1 . 1 54 54 ILE CB C 13 39.526 0.058 . 1 . . . . A 50 ILE CB . 34868 2
490 . 1 . 1 54 54 ILE CG1 C 13 28.247 0.131 . 1 . . . . A 50 ILE CG1 . 34868 2
491 . 1 . 1 54 54 ILE CG2 C 13 16.673 0.107 . 1 . . . . A 50 ILE CG2 . 34868 2
492 . 1 . 1 54 54 ILE CD1 C 13 13.880 0.034 . 1 . . . . A 50 ILE CD1 . 34868 2
493 . 1 . 1 55 55 PHE HA H 1 4.775 0.013 . 1 . . . . A 51 PHE HA . 34868 2
494 . 1 . 1 55 55 PHE HB2 H 1 2.926 0.005 . 2 . . . . A 51 PHE HB2 . 34868 2
495 . 1 . 1 55 55 PHE HB3 H 1 3.167 0.011 . 2 . . . . A 51 PHE HB3 . 34868 2
496 . 1 . 1 55 55 PHE HD1 H 1 7.450 0.009 . 1 . . . . A 51 PHE HD1 . 34868 2
497 . 1 . 1 55 55 PHE HD2 H 1 7.450 0.009 . 1 . . . . A 51 PHE HD2 . 34868 2
498 . 1 . 1 55 55 PHE HE1 H 1 7.233 0.013 . 1 . . . . A 51 PHE HE1 . 34868 2
499 . 1 . 1 55 55 PHE HE2 H 1 7.233 0.013 . 1 . . . . A 51 PHE HE2 . 34868 2
500 . 1 . 1 55 55 PHE CA C 13 58.924 0.049 . 1 . . . . A 51 PHE CA . 34868 2
501 . 1 . 1 55 55 PHE CB C 13 40.536 0.115 . 1 . . . . A 51 PHE CB . 34868 2
502 . 1 . 1 55 55 PHE CD1 C 13 132.176 0.084 . 1 . . . . A 51 PHE CD1 . 34868 2
503 . 1 . 1 55 55 PHE CD2 C 13 132.176 0.084 . 1 . . . . A 51 PHE CD2 . 34868 2
504 . 1 . 1 55 55 PHE CE1 C 13 131.434 0.068 . 1 . . . . A 51 PHE CE1 . 34868 2
505 . 1 . 1 55 55 PHE CE2 C 13 131.434 0.068 . 1 . . . . A 51 PHE CE2 . 34868 2
506 . 1 . 1 56 56 GLY HA2 H 1 3.980 0.000 . 2 . . . . A 52 GLY HA2 . 34868 2
507 . 1 . 1 56 56 GLY HA3 H 1 4.033 0.000 . 2 . . . . A 52 GLY HA3 . 34868 2
508 . 1 . 1 56 56 GLY CA C 13 46.794 0.044 . 1 . . . . A 52 GLY CA . 34868 2
509 . 1 . 1 57 57 VAL HA H 1 4.495 0.005 . 1 . . . . A 53 VAL HA . 34868 2
510 . 1 . 1 57 57 VAL HB H 1 1.974 0.006 . 1 . . . . A 53 VAL HB . 34868 2
511 . 1 . 1 57 57 VAL HG11 H 1 0.791 0.005 . 2 . . . . A 53 VAL HG11 . 34868 2
512 . 1 . 1 57 57 VAL HG12 H 1 0.791 0.005 . 2 . . . . A 53 VAL HG12 . 34868 2
513 . 1 . 1 57 57 VAL HG13 H 1 0.791 0.005 . 2 . . . . A 53 VAL HG13 . 34868 2
514 . 1 . 1 57 57 VAL HG21 H 1 0.692 0.012 . 2 . . . . A 53 VAL HG21 . 34868 2
515 . 1 . 1 57 57 VAL HG22 H 1 0.692 0.012 . 2 . . . . A 53 VAL HG22 . 34868 2
516 . 1 . 1 57 57 VAL HG23 H 1 0.692 0.012 . 2 . . . . A 53 VAL HG23 . 34868 2
517 . 1 . 1 57 57 VAL CA C 13 58.248 0.008 . 1 . . . . A 53 VAL CA . 34868 2
518 . 1 . 1 57 57 VAL CB C 13 34.720 0.023 . 1 . . . . A 53 VAL CB . 34868 2
519 . 1 . 1 57 57 VAL CG1 C 13 21.455 0.058 . 2 . . . . A 53 VAL CG1 . 34868 2
520 . 1 . 1 57 57 VAL CG2 C 13 19.099 0.021 . 2 . . . . A 53 VAL CG2 . 34868 2
521 . 1 . 1 58 58 GLU HA H 1 4.114 0.004 . 1 . . . . A 54 GLU HA . 34868 2
522 . 1 . 1 58 58 GLU HB2 H 1 1.971 0.007 . 2 . . . . A 54 GLU HB2 . 34868 2
523 . 1 . 1 58 58 GLU HB3 H 1 1.961 0.004 . 2 . . . . A 54 GLU HB3 . 34868 2
524 . 1 . 1 58 58 GLU HG2 H 1 2.234 0.010 . 1 . . . . A 54 GLU HG2 . 34868 2
525 . 1 . 1 58 58 GLU HG3 H 1 2.234 0.010 . 1 . . . . A 54 GLU HG3 . 34868 2
526 . 1 . 1 58 58 GLU CA C 13 57.316 0.083 . 1 . . . . A 54 GLU CA . 34868 2
527 . 1 . 1 58 58 GLU CB C 13 29.516 0.087 . 1 . . . . A 54 GLU CB . 34868 2
528 . 1 . 1 58 58 GLU CG C 13 36.627 0.052 . 1 . . . . A 54 GLU CG . 34868 2
529 . 1 . 1 59 59 VAL HA H 1 4.560 0.005 . 1 . . . . A 55 VAL HA . 34868 2
530 . 1 . 1 59 59 VAL HB H 1 2.361 0.013 . 1 . . . . A 55 VAL HB . 34868 2
531 . 1 . 1 59 59 VAL HG11 H 1 1.014 0.014 . 2 . . . . A 55 VAL HG11 . 34868 2
532 . 1 . 1 59 59 VAL HG12 H 1 1.014 0.014 . 2 . . . . A 55 VAL HG12 . 34868 2
533 . 1 . 1 59 59 VAL HG13 H 1 1.014 0.014 . 2 . . . . A 55 VAL HG13 . 34868 2
534 . 1 . 1 59 59 VAL HG21 H 1 0.989 0.006 . 2 . . . . A 55 VAL HG21 . 34868 2
535 . 1 . 1 59 59 VAL HG22 H 1 0.989 0.006 . 2 . . . . A 55 VAL HG22 . 34868 2
536 . 1 . 1 59 59 VAL HG23 H 1 0.989 0.006 . 2 . . . . A 55 VAL HG23 . 34868 2
537 . 1 . 1 59 59 VAL CA C 13 61.868 0.022 . 1 . . . . A 55 VAL CA . 34868 2
538 . 1 . 1 59 59 VAL CB C 13 34.256 0.027 . 1 . . . . A 55 VAL CB . 34868 2
539 . 1 . 1 59 59 VAL CG1 C 13 21.926 0.020 . 2 . . . . A 55 VAL CG1 . 34868 2
540 . 1 . 1 59 59 VAL CG2 C 13 21.210 0.049 . 2 . . . . A 55 VAL CG2 . 34868 2
541 . 1 . 1 60 60 SER HA H 1 5.050 0.005 . 1 . . . . A 56 SER HA . 34868 2
542 . 1 . 1 60 60 SER HB2 H 1 4.329 0.007 . 2 . . . . A 56 SER HB2 . 34868 2
543 . 1 . 1 60 60 SER HB3 H 1 3.982 0.007 . 2 . . . . A 56 SER HB3 . 34868 2
544 . 1 . 1 60 60 SER CA C 13 56.071 0.009 . 1 . . . . A 56 SER CA . 34868 2
545 . 1 . 1 60 60 SER CB C 13 67.090 0.019 . 1 . . . . A 56 SER CB . 34868 2
546 . 1 . 1 61 61 THR HA H 1 3.598 0.011 . 1 . . . . A 57 THR HA . 34868 2
547 . 1 . 1 61 61 THR HB H 1 4.110 0.018 . 1 . . . . A 57 THR HB . 34868 2
548 . 1 . 1 61 61 THR HG21 H 1 1.288 0.014 . 1 . . . . A 57 THR HG21 . 34868 2
549 . 1 . 1 61 61 THR HG22 H 1 1.288 0.014 . 1 . . . . A 57 THR HG22 . 34868 2
550 . 1 . 1 61 61 THR HG23 H 1 1.288 0.014 . 1 . . . . A 57 THR HG23 . 34868 2
551 . 1 . 1 61 61 THR CA C 13 66.852 0.034 . 1 . . . . A 57 THR CA . 34868 2
552 . 1 . 1 61 61 THR CB C 13 67.863 0.074 . 1 . . . . A 57 THR CB . 34868 2
553 . 1 . 1 61 61 THR CG2 C 13 23.378 0.029 . 1 . . . . A 57 THR CG2 . 34868 2
554 . 1 . 1 62 62 GLU HA H 1 4.026 0.006 . 1 . . . . A 58 GLU HA . 34868 2
555 . 1 . 1 62 62 GLU HB2 H 1 2.009 0.000 . 2 . . . . A 58 GLU HB2 . 34868 2
556 . 1 . 1 62 62 GLU HB3 H 1 1.936 0.006 . 2 . . . . A 58 GLU HB3 . 34868 2
557 . 1 . 1 62 62 GLU HG2 H 1 2.293 0.014 . 1 . . . . A 58 GLU HG2 . 34868 2
558 . 1 . 1 62 62 GLU CA C 13 59.991 0.091 . 1 . . . . A 58 GLU CA . 34868 2
559 . 1 . 1 62 62 GLU CG C 13 36.797 0.158 . 1 . . . . A 58 GLU CG . 34868 2
560 . 1 . 1 63 63 ASP HA H 1 4.151 0.009 . 1 . . . . A 59 ASP HA . 34868 2
561 . 1 . 1 63 63 ASP HB2 H 1 2.980 0.016 . 2 . . . . A 59 ASP HB2 . 34868 2
562 . 1 . 1 63 63 ASP HB3 H 1 1.822 0.001 . 2 . . . . A 59 ASP HB3 . 34868 2
563 . 1 . 1 63 63 ASP CA C 13 57.796 0.030 . 1 . . . . A 59 ASP CA . 34868 2
564 . 1 . 1 63 63 ASP CB C 13 41.241 0.055 . 1 . . . . A 59 ASP CB . 34868 2
565 . 1 . 1 64 64 VAL H H 1 7.306 0.001 . 1 . . . . A 60 VAL H . 34868 2
566 . 1 . 1 64 64 VAL HA H 1 3.350 0.006 . 1 . . . . A 60 VAL HA . 34868 2
567 . 1 . 1 64 64 VAL HB H 1 1.920 0.012 . 1 . . . . A 60 VAL HB . 34868 2
568 . 1 . 1 64 64 VAL HG11 H 1 0.044 0.024 . 2 . . . . A 60 VAL HG11 . 34868 2
569 . 1 . 1 64 64 VAL HG12 H 1 0.044 0.024 . 2 . . . . A 60 VAL HG12 . 34868 2
570 . 1 . 1 64 64 VAL HG13 H 1 0.044 0.024 . 2 . . . . A 60 VAL HG13 . 34868 2
571 . 1 . 1 64 64 VAL HG21 H 1 0.785 0.012 . 2 . . . . A 60 VAL HG21 . 34868 2
572 . 1 . 1 64 64 VAL HG22 H 1 0.785 0.012 . 2 . . . . A 60 VAL HG22 . 34868 2
573 . 1 . 1 64 64 VAL HG23 H 1 0.785 0.012 . 2 . . . . A 60 VAL HG23 . 34868 2
574 . 1 . 1 64 64 VAL CA C 13 66.087 0.023 . 1 . . . . A 60 VAL CA . 34868 2
575 . 1 . 1 64 64 VAL CB C 13 30.932 0.067 . 1 . . . . A 60 VAL CB . 34868 2
576 . 1 . 1 64 64 VAL CG1 C 13 21.685 0.061 . 2 . . . . A 60 VAL CG1 . 34868 2
577 . 1 . 1 64 64 VAL CG2 C 13 21.641 0.055 . 2 . . . . A 60 VAL CG2 . 34868 2
578 . 1 . 1 65 65 PHE H H 1 7.377 0.003 . 1 . . . . A 61 PHE H . 34868 2
579 . 1 . 1 65 65 PHE HA H 1 4.166 0.007 . 1 . . . . A 61 PHE HA . 34868 2
580 . 1 . 1 65 65 PHE HB2 H 1 3.034 0.013 . 2 . . . . A 61 PHE HB2 . 34868 2
581 . 1 . 1 65 65 PHE HB3 H 1 3.063 0.024 . 2 . . . . A 61 PHE HB3 . 34868 2
582 . 1 . 1 65 65 PHE HD1 H 1 7.077 0.007 . 1 . . . . A 61 PHE HD1 . 34868 2
583 . 1 . 1 65 65 PHE HD2 H 1 7.077 0.007 . 1 . . . . A 61 PHE HD2 . 34868 2
584 . 1 . 1 65 65 PHE HE1 H 1 7.178 0.012 . 1 . . . . A 61 PHE HE1 . 34868 2
585 . 1 . 1 65 65 PHE HE2 H 1 7.178 0.012 . 1 . . . . A 61 PHE HE2 . 34868 2
586 . 1 . 1 65 65 PHE CA C 13 60.405 0.062 . 1 . . . . A 61 PHE CA . 34868 2
587 . 1 . 1 65 65 PHE CB C 13 38.905 0.050 . 1 . . . . A 61 PHE CB . 34868 2
588 . 1 . 1 65 65 PHE CD1 C 13 131.584 0.047 . 1 . . . . A 61 PHE CD1 . 34868 2
589 . 1 . 1 65 65 PHE CD2 C 13 131.584 0.047 . 1 . . . . A 61 PHE CD2 . 34868 2
590 . 1 . 1 65 65 PHE CE1 C 13 131.531 0.046 . 1 . . . . A 61 PHE CE1 . 34868 2
591 . 1 . 1 65 65 PHE CE2 C 13 131.531 0.046 . 1 . . . . A 61 PHE CE2 . 34868 2
592 . 1 . 1 66 66 ARG HA H 1 3.902 0.007 . 1 . . . . A 62 ARG HA . 34868 2
593 . 1 . 1 66 66 ARG HB2 H 1 1.317 0.009 . 2 . . . . A 62 ARG HB2 . 34868 2
594 . 1 . 1 66 66 ARG HB3 H 1 1.608 0.006 . 2 . . . . A 62 ARG HB3 . 34868 2
595 . 1 . 1 66 66 ARG HG2 H 1 1.198 0.006 . 2 . . . . A 62 ARG HG2 . 34868 2
596 . 1 . 1 66 66 ARG HG3 H 1 1.448 0.004 . 2 . . . . A 62 ARG HG3 . 34868 2
597 . 1 . 1 66 66 ARG HD2 H 1 3.068 0.023 . 2 . . . . A 62 ARG HD2 . 34868 2
598 . 1 . 1 66 66 ARG HD3 H 1 3.042 0.016 . 2 . . . . A 62 ARG HD3 . 34868 2
599 . 1 . 1 66 66 ARG CA C 13 58.126 0.073 . 1 . . . . A 62 ARG CA . 34868 2
600 . 1 . 1 66 66 ARG CB C 13 30.899 0.032 . 1 . . . . A 62 ARG CB . 34868 2
601 . 1 . 1 66 66 ARG CG C 13 27.861 0.018 . 1 . . . . A 62 ARG CG . 34868 2
602 . 1 . 1 66 66 ARG CD C 13 43.083 0.067 . 1 . . . . A 62 ARG CD . 34868 2
603 . 1 . 1 67 67 HIS HA H 1 4.714 0.006 . 1 . . . . A 63 HIS HA . 34868 2
604 . 1 . 1 67 67 HIS HB2 H 1 2.569 0.012 . 2 . . . . A 63 HIS HB2 . 34868 2
605 . 1 . 1 67 67 HIS HB3 H 1 3.042 0.009 . 2 . . . . A 63 HIS HB3 . 34868 2
606 . 1 . 1 67 67 HIS HD2 H 1 6.660 0.007 . 1 . . . . A 63 HIS HD2 . 34868 2
607 . 1 . 1 67 67 HIS HE1 H 1 7.815 0.015 . 1 . . . . A 63 HIS HE1 . 34868 2
608 . 1 . 1 67 67 HIS CA C 13 54.806 0.030 . 1 . . . . A 63 HIS CA . 34868 2
609 . 1 . 1 67 67 HIS CB C 13 28.240 0.054 . 1 . . . . A 63 HIS CB . 34868 2
610 . 1 . 1 67 67 HIS CD2 C 13 122.048 0.025 . 1 . . . . A 63 HIS CD2 . 34868 2
611 . 1 . 1 68 68 GLY HA2 H 1 3.731 0.004 . 2 . . . . A 64 GLY HA2 . 34868 2
612 . 1 . 1 68 68 GLY HA3 H 1 4.386 0.004 . 2 . . . . A 64 GLY HA3 . 34868 2
613 . 1 . 1 68 68 GLY CA C 13 49.334 0.035 . 1 . . . . A 64 GLY CA . 34868 2
614 . 1 . 1 69 69 THR HA H 1 3.851 0.010 . 1 . . . . A 65 THR HA . 34868 2
615 . 1 . 1 69 69 THR HB H 1 4.163 0.016 . 1 . . . . A 65 THR HB . 34868 2
616 . 1 . 1 69 69 THR HG21 H 1 0.847 0.005 . 1 . . . . A 65 THR HG21 . 34868 2
617 . 1 . 1 69 69 THR HG22 H 1 0.847 0.005 . 1 . . . . A 65 THR HG22 . 34868 2
618 . 1 . 1 69 69 THR HG23 H 1 0.847 0.005 . 1 . . . . A 65 THR HG23 . 34868 2
619 . 1 . 1 69 69 THR CA C 13 58.264 0.047 . 1 . . . . A 65 THR CA . 34868 2
620 . 1 . 1 69 69 THR CB C 13 73.257 0.021 . 1 . . . . A 65 THR CB . 34868 2
621 . 1 . 1 69 69 THR CG2 C 13 21.489 0.072 . 1 . . . . A 65 THR CG2 . 34868 2
622 . 1 . 1 70 70 VAL HA H 1 3.605 0.011 . 1 . . . . A 66 VAL HA . 34868 2
623 . 1 . 1 70 70 VAL HB H 1 2.303 0.008 . 1 . . . . A 66 VAL HB . 34868 2
624 . 1 . 1 70 70 VAL HG11 H 1 1.332 0.014 . 2 . . . . A 66 VAL HG11 . 34868 2
625 . 1 . 1 70 70 VAL HG12 H 1 1.332 0.014 . 2 . . . . A 66 VAL HG12 . 34868 2
626 . 1 . 1 70 70 VAL HG13 H 1 1.332 0.014 . 2 . . . . A 66 VAL HG13 . 34868 2
627 . 1 . 1 70 70 VAL HG21 H 1 1.128 0.006 . 2 . . . . A 66 VAL HG21 . 34868 2
628 . 1 . 1 70 70 VAL HG22 H 1 1.128 0.006 . 2 . . . . A 66 VAL HG22 . 34868 2
629 . 1 . 1 70 70 VAL HG23 H 1 1.128 0.006 . 2 . . . . A 66 VAL HG23 . 34868 2
630 . 1 . 1 70 70 VAL CA C 13 67.486 0.068 . 1 . . . . A 66 VAL CA . 34868 2
631 . 1 . 1 70 70 VAL CB C 13 30.655 0.094 . 1 . . . . A 66 VAL CB . 34868 2
632 . 1 . 1 70 70 VAL CG1 C 13 23.576 0.025 . 2 . . . . A 66 VAL CG1 . 34868 2
633 . 1 . 1 70 70 VAL CG2 C 13 22.826 0.049 . 2 . . . . A 66 VAL CG2 . 34868 2
634 . 1 . 1 71 71 GLU HA H 1 3.955 0.015 . 1 . . . . A 67 GLU HA . 34868 2
635 . 1 . 1 71 71 GLU HB2 H 1 2.000 0.017 . 2 . . . . A 67 GLU HB2 . 34868 2
636 . 1 . 1 71 71 GLU HB3 H 1 1.925 0.012 . 2 . . . . A 67 GLU HB3 . 34868 2
637 . 1 . 1 71 71 GLU HG2 H 1 2.355 0.012 . 2 . . . . A 67 GLU HG2 . 34868 2
638 . 1 . 1 71 71 GLU HG3 H 1 2.099 0.011 . 2 . . . . A 67 GLU HG3 . 34868 2
639 . 1 . 1 71 71 GLU CA C 13 59.894 0.061 . 1 . . . . A 67 GLU CA . 34868 2
640 . 1 . 1 71 71 GLU CB C 13 30.179 0.000 . 1 . . . . A 67 GLU CB . 34868 2
641 . 1 . 1 71 71 GLU CG C 13 36.107 0.066 . 1 . . . . A 67 GLU CG . 34868 2
642 . 1 . 1 72 72 GLN HA H 1 4.093 0.003 . 1 . . . . A 68 GLN HA . 34868 2
643 . 1 . 1 72 72 GLN HB2 H 1 1.955 0.012 . 2 . . . . A 68 GLN HB2 . 34868 2
644 . 1 . 1 72 72 GLN HB3 H 1 2.332 0.000 . 2 . . . . A 68 GLN HB3 . 34868 2
645 . 1 . 1 72 72 GLN HG2 H 1 2.482 0.004 . 1 . . . . A 68 GLN HG2 . 34868 2
646 . 1 . 1 72 72 GLN HG3 H 1 2.482 0.004 . 1 . . . . A 68 GLN HG3 . 34868 2
647 . 1 . 1 72 72 GLN CA C 13 58.828 0.132 . 1 . . . . A 68 GLN CA . 34868 2
648 . 1 . 1 72 72 GLN CB C 13 29.530 0.000 . 1 . . . . A 68 GLN CB . 34868 2
649 . 1 . 1 72 72 GLN CG C 13 34.769 0.105 . 1 . . . . A 68 GLN CG . 34868 2
650 . 1 . 1 73 73 LEU HA H 1 4.240 0.009 . 1 . . . . A 69 LEU HA . 34868 2
651 . 1 . 1 73 73 LEU HB2 H 1 1.989 0.014 . 2 . . . . A 69 LEU HB2 . 34868 2
652 . 1 . 1 73 73 LEU HB3 H 1 2.377 0.008 . 2 . . . . A 69 LEU HB3 . 34868 2
653 . 1 . 1 73 73 LEU HG H 1 1.721 0.012 . 1 . . . . A 69 LEU HG . 34868 2
654 . 1 . 1 73 73 LEU HD11 H 1 0.898 0.003 . 2 . . . . A 69 LEU HD11 . 34868 2
655 . 1 . 1 73 73 LEU HD12 H 1 0.898 0.003 . 2 . . . . A 69 LEU HD12 . 34868 2
656 . 1 . 1 73 73 LEU HD13 H 1 0.898 0.003 . 2 . . . . A 69 LEU HD13 . 34868 2
657 . 1 . 1 73 73 LEU HD21 H 1 0.981 0.007 . 2 . . . . A 69 LEU HD21 . 34868 2
658 . 1 . 1 73 73 LEU HD22 H 1 0.981 0.007 . 2 . . . . A 69 LEU HD22 . 34868 2
659 . 1 . 1 73 73 LEU HD23 H 1 0.981 0.007 . 2 . . . . A 69 LEU HD23 . 34868 2
660 . 1 . 1 73 73 LEU CA C 13 57.801 0.037 . 1 . . . . A 69 LEU CA . 34868 2
661 . 1 . 1 73 73 LEU CB C 13 41.576 0.044 . 1 . . . . A 69 LEU CB . 34868 2
662 . 1 . 1 73 73 LEU CG C 13 27.211 0.025 . 1 . . . . A 69 LEU CG . 34868 2
663 . 1 . 1 73 73 LEU CD1 C 13 28.176 0.026 . 2 . . . . A 69 LEU CD1 . 34868 2
664 . 1 . 1 73 73 LEU CD2 C 13 23.025 0.085 . 2 . . . . A 69 LEU CD2 . 34868 2
665 . 1 . 1 74 74 ALA HA H 1 3.799 0.006 . 1 . . . . A 70 ALA HA . 34868 2
666 . 1 . 1 74 74 ALA HB1 H 1 1.419 0.009 . 1 . . . . A 70 ALA HB1 . 34868 2
667 . 1 . 1 74 74 ALA HB2 H 1 1.419 0.009 . 1 . . . . A 70 ALA HB2 . 34868 2
668 . 1 . 1 74 74 ALA HB3 H 1 1.419 0.009 . 1 . . . . A 70 ALA HB3 . 34868 2
669 . 1 . 1 74 74 ALA CA C 13 55.581 0.042 . 1 . . . . A 70 ALA CA . 34868 2
670 . 1 . 1 74 74 ALA CB C 13 18.360 0.077 . 1 . . . . A 70 ALA CB . 34868 2
671 . 1 . 1 75 75 ARG H H 1 7.285 0.031 . 1 . . . . A 71 ARG H . 34868 2
672 . 1 . 1 75 75 ARG HA H 1 4.094 0.006 . 1 . . . . A 71 ARG HA . 34868 2
673 . 1 . 1 75 75 ARG HB2 H 1 1.956 0.010 . 2 . . . . A 71 ARG HB2 . 34868 2
674 . 1 . 1 75 75 ARG HB3 H 1 1.961 0.010 . 2 . . . . A 71 ARG HB3 . 34868 2
675 . 1 . 1 75 75 ARG HG2 H 1 1.765 0.018 . 2 . . . . A 71 ARG HG2 . 34868 2
676 . 1 . 1 75 75 ARG HG3 H 1 1.720 0.022 . 2 . . . . A 71 ARG HG3 . 34868 2
677 . 1 . 1 75 75 ARG HD2 H 1 3.259 0.006 . 1 . . . . A 71 ARG HD2 . 34868 2
678 . 1 . 1 75 75 ARG HD3 H 1 3.259 0.006 . 1 . . . . A 71 ARG HD3 . 34868 2
679 . 1 . 1 75 75 ARG CA C 13 59.082 0.043 . 1 . . . . A 71 ARG CA . 34868 2
680 . 1 . 1 75 75 ARG CB C 13 29.779 0.072 . 1 . . . . A 71 ARG CB . 34868 2
681 . 1 . 1 75 75 ARG CG C 13 27.154 0.042 . 1 . . . . A 71 ARG CG . 34868 2
682 . 1 . 1 75 75 ARG CD C 13 43.360 0.020 . 1 . . . . A 71 ARG CD . 34868 2
683 . 1 . 1 76 76 PHE HA H 1 4.146 0.012 . 1 . . . . A 72 PHE HA . 34868 2
684 . 1 . 1 76 76 PHE HB2 H 1 2.327 0.006 . 2 . . . . A 72 PHE HB2 . 34868 2
685 . 1 . 1 76 76 PHE HB3 H 1 3.070 0.008 . 2 . . . . A 72 PHE HB3 . 34868 2
686 . 1 . 1 76 76 PHE HD1 H 1 6.916 0.008 . 1 . . . . A 72 PHE HD1 . 34868 2
687 . 1 . 1 76 76 PHE HD2 H 1 6.916 0.008 . 1 . . . . A 72 PHE HD2 . 34868 2
688 . 1 . 1 76 76 PHE HE1 H 1 7.307 0.002 . 1 . . . . A 72 PHE HE1 . 34868 2
689 . 1 . 1 76 76 PHE HE2 H 1 7.307 0.002 . 1 . . . . A 72 PHE HE2 . 34868 2
690 . 1 . 1 76 76 PHE HZ H 1 7.366 0.017 . 1 . . . . A 72 PHE HZ . 34868 2
691 . 1 . 1 76 76 PHE CA C 13 60.758 0.031 . 1 . . . . A 72 PHE CA . 34868 2
692 . 1 . 1 76 76 PHE CB C 13 37.935 0.046 . 1 . . . . A 72 PHE CB . 34868 2
693 . 1 . 1 76 76 PHE CD1 C 13 131.471 0.024 . 1 . . . . A 72 PHE CD1 . 34868 2
694 . 1 . 1 76 76 PHE CD2 C 13 131.471 0.024 . 1 . . . . A 72 PHE CD2 . 34868 2
695 . 1 . 1 76 76 PHE CE1 C 13 131.277 0.004 . 1 . . . . A 72 PHE CE1 . 34868 2
696 . 1 . 1 76 76 PHE CE2 C 13 131.277 0.004 . 1 . . . . A 72 PHE CE2 . 34868 2
697 . 1 . 1 76 76 PHE CZ C 13 131.459 0.106 . 1 . . . . A 72 PHE CZ . 34868 2
698 . 1 . 1 77 77 VAL HA H 1 2.923 0.003 . 1 . . . . A 73 VAL HA . 34868 2
699 . 1 . 1 77 77 VAL HB H 1 1.851 0.009 . 1 . . . . A 73 VAL HB . 34868 2
700 . 1 . 1 77 77 VAL HG11 H 1 0.785 0.007 . 2 . . . . A 73 VAL HG11 . 34868 2
701 . 1 . 1 77 77 VAL HG12 H 1 0.785 0.007 . 2 . . . . A 73 VAL HG12 . 34868 2
702 . 1 . 1 77 77 VAL HG13 H 1 0.785 0.007 . 2 . . . . A 73 VAL HG13 . 34868 2
703 . 1 . 1 77 77 VAL HG21 H 1 0.074 0.003 . 2 . . . . A 73 VAL HG21 . 34868 2
704 . 1 . 1 77 77 VAL HG22 H 1 0.074 0.003 . 2 . . . . A 73 VAL HG22 . 34868 2
705 . 1 . 1 77 77 VAL HG23 H 1 0.074 0.003 . 2 . . . . A 73 VAL HG23 . 34868 2
706 . 1 . 1 77 77 VAL CA C 13 67.160 0.011 . 1 . . . . A 73 VAL CA . 34868 2
707 . 1 . 1 77 77 VAL CB C 13 30.788 0.016 . 1 . . . . A 73 VAL CB . 34868 2
708 . 1 . 1 77 77 VAL CG1 C 13 21.760 0.040 . 2 . . . . A 73 VAL CG1 . 34868 2
709 . 1 . 1 77 77 VAL CG2 C 13 20.205 0.018 . 2 . . . . A 73 VAL CG2 . 34868 2
710 . 1 . 1 78 78 GLU HA H 1 3.645 0.007 . 1 . . . . A 74 GLU HA . 34868 2
711 . 1 . 1 78 78 GLU HB2 H 1 2.071 0.009 . 2 . . . . A 74 GLU HB2 . 34868 2
712 . 1 . 1 78 78 GLU HB3 H 1 2.069 0.008 . 2 . . . . A 74 GLU HB3 . 34868 2
713 . 1 . 1 78 78 GLU HG2 H 1 2.214 0.009 . 2 . . . . A 74 GLU HG2 . 34868 2
714 . 1 . 1 78 78 GLU HG3 H 1 2.126 0.009 . 2 . . . . A 74 GLU HG3 . 34868 2
715 . 1 . 1 78 78 GLU CA C 13 59.861 0.072 . 1 . . . . A 74 GLU CA . 34868 2
716 . 1 . 1 78 78 GLU CB C 13 29.902 0.040 . 1 . . . . A 74 GLU CB . 34868 2
717 . 1 . 1 78 78 GLU CG C 13 36.445 0.072 . 1 . . . . A 74 GLU CG . 34868 2
718 . 1 . 1 79 79 GLN HA H 1 4.078 0.006 . 1 . . . . A 75 GLN HA . 34868 2
719 . 1 . 1 79 79 GLN HB2 H 1 2.081 0.023 . 2 . . . . A 75 GLN HB2 . 34868 2
720 . 1 . 1 79 79 GLN HB3 H 1 2.065 0.022 . 2 . . . . A 75 GLN HB3 . 34868 2
721 . 1 . 1 79 79 GLN HG2 H 1 2.521 0.003 . 2 . . . . A 75 GLN HG2 . 34868 2
722 . 1 . 1 79 79 GLN HG3 H 1 2.388 0.006 . 2 . . . . A 75 GLN HG3 . 34868 2
723 . 1 . 1 79 79 GLN CA C 13 58.140 0.068 . 1 . . . . A 75 GLN CA . 34868 2
724 . 1 . 1 79 79 GLN CB C 13 28.324 0.014 . 1 . . . . A 75 GLN CB . 34868 2
725 . 1 . 1 79 79 GLN CG C 13 34.161 0.067 . 1 . . . . A 75 GLN CG . 34868 2
726 . 1 . 1 80 80 SER HA H 1 4.105 0.007 . 1 . . . . A 76 SER HA . 34868 2
727 . 1 . 1 80 80 SER HB2 H 1 3.565 0.018 . 2 . . . . A 76 SER HB2 . 34868 2
728 . 1 . 1 80 80 SER HB3 H 1 3.613 0.030 . 2 . . . . A 76 SER HB3 . 34868 2
729 . 1 . 1 80 80 SER CA C 13 60.816 0.031 . 1 . . . . A 76 SER CA . 34868 2
730 . 1 . 1 80 80 SER CB C 13 62.996 0.018 . 1 . . . . A 76 SER CB . 34868 2
731 . 1 . 1 81 81 ARG HA H 1 4.124 0.019 . 1 . . . . A 77 ARG HA . 34868 2
732 . 1 . 1 81 81 ARG HB2 H 1 1.880 0.002 . 2 . . . . A 77 ARG HB2 . 34868 2
733 . 1 . 1 81 81 ARG HB3 H 1 1.866 0.020 . 2 . . . . A 77 ARG HB3 . 34868 2
734 . 1 . 1 81 81 ARG HG2 H 1 1.757 0.001 . 2 . . . . A 77 ARG HG2 . 34868 2
735 . 1 . 1 81 81 ARG HG3 H 1 1.678 0.003 . 2 . . . . A 77 ARG HG3 . 34868 2
736 . 1 . 1 81 81 ARG HD2 H 1 3.182 0.012 . 2 . . . . A 77 ARG HD2 . 34868 2
737 . 1 . 1 81 81 ARG HD3 H 1 3.080 0.002 . 2 . . . . A 77 ARG HD3 . 34868 2
738 . 1 . 1 81 81 ARG CA C 13 57.551 0.042 . 1 . . . . A 77 ARG CA . 34868 2
739 . 1 . 1 81 81 ARG CB C 13 30.645 0.031 . 1 . . . . A 77 ARG CB . 34868 2
740 . 1 . 1 81 81 ARG CG C 13 26.720 0.041 . 1 . . . . A 77 ARG CG . 34868 2
741 . 1 . 1 81 81 ARG CD C 13 44.141 0.028 . 1 . . . . A 77 ARG CD . 34868 2
742 . 1 . 1 82 82 ASP HA H 1 4.666 0.014 . 1 . . . . A 78 ASP HA . 34868 2
743 . 1 . 1 82 82 ASP HB2 H 1 2.718 0.033 . 2 . . . . A 78 ASP HB2 . 34868 2
744 . 1 . 1 82 82 ASP HB3 H 1 2.814 0.011 . 2 . . . . A 78 ASP HB3 . 34868 2
745 . 1 . 1 82 82 ASP CA C 13 55.140 0.086 . 1 . . . . A 78 ASP CA . 34868 2
746 . 1 . 1 82 82 ASP CB C 13 41.049 0.059 . 1 . . . . A 78 ASP CB . 34868 2
747 . 1 . 1 83 83 THR HA H 1 4.296 0.004 . 1 . . . . A 79 THR HA . 34868 2
748 . 1 . 1 83 83 THR HB H 1 4.350 0.005 . 1 . . . . A 79 THR HB . 34868 2
749 . 1 . 1 83 83 THR HG21 H 1 1.281 0.005 . 1 . . . . A 79 THR HG21 . 34868 2
750 . 1 . 1 83 83 THR HG22 H 1 1.281 0.005 . 1 . . . . A 79 THR HG22 . 34868 2
751 . 1 . 1 83 83 THR HG23 H 1 1.281 0.005 . 1 . . . . A 79 THR HG23 . 34868 2
752 . 1 . 1 83 83 THR CA C 13 62.886 0.020 . 1 . . . . A 79 THR CA . 34868 2
753 . 1 . 1 83 83 THR CB C 13 69.563 0.017 . 1 . . . . A 79 THR CB . 34868 2
754 . 1 . 1 83 83 THR CG2 C 13 21.600 0.079 . 1 . . . . A 79 THR CG2 . 34868 2
755 . 1 . 1 84 84 GLY HA2 H 1 3.991 0.000 . 1 . . . . A 80 GLY HA2 . 34868 2
756 . 1 . 1 84 84 GLY HA3 H 1 3.991 0.000 . 1 . . . . A 80 GLY HA3 . 34868 2
757 . 1 . 1 84 84 GLY CA C 13 45.555 0.004 . 1 . . . . A 80 GLY CA . 34868 2
758 . 1 . 1 85 85 ARG HA H 1 4.352 0.005 . 1 . . . . A 81 ARG HA . 34868 2
759 . 1 . 1 85 85 ARG HB2 H 1 1.825 0.025 . 2 . . . . A 81 ARG HB2 . 34868 2
760 . 1 . 1 85 85 ARG HB3 H 1 1.865 0.017 . 2 . . . . A 81 ARG HB3 . 34868 2
761 . 1 . 1 85 85 ARG HG2 H 1 1.641 0.018 . 1 . . . . A 81 ARG HG2 . 34868 2
762 . 1 . 1 85 85 ARG HG3 H 1 1.641 0.018 . 1 . . . . A 81 ARG HG3 . 34868 2
763 . 1 . 1 85 85 ARG HD2 H 1 3.219 0.013 . 2 . . . . A 81 ARG HD2 . 34868 2
764 . 1 . 1 85 85 ARG HD3 H 1 3.222 0.013 . 2 . . . . A 81 ARG HD3 . 34868 2
765 . 1 . 1 85 85 ARG CA C 13 55.966 0.037 . 1 . . . . A 81 ARG CA . 34868 2
766 . 1 . 1 85 85 ARG CB C 13 30.815 0.023 . 1 . . . . A 81 ARG CB . 34868 2
767 . 1 . 1 85 85 ARG CG C 13 27.173 0.176 . 1 . . . . A 81 ARG CG . 34868 2
768 . 1 . 1 85 85 ARG CD C 13 43.266 0.098 . 1 . . . . A 81 ARG CD . 34868 2
769 . 1 . 1 86 86 ASN HA H 1 5.000 0.009 . 1 . . . . A 82 ASN HA . 34868 2
770 . 1 . 1 86 86 ASN HB2 H 1 2.875 0.006 . 2 . . . . A 82 ASN HB2 . 34868 2
771 . 1 . 1 86 86 ASN HB3 H 1 2.760 0.001 . 2 . . . . A 82 ASN HB3 . 34868 2
772 . 1 . 1 86 86 ASN CA C 13 51.175 0.048 . 1 . . . . A 82 ASN CA . 34868 2
773 . 1 . 1 86 86 ASN CB C 13 38.868 0.030 . 1 . . . . A 82 ASN CB . 34868 2
774 . 1 . 1 87 87 PRO HA H 1 4.432 0.007 . 1 . . . . A 83 PRO HA . 34868 2
775 . 1 . 1 87 87 PRO HB2 H 1 1.996 0.002 . 2 . . . . A 83 PRO HB2 . 34868 2
776 . 1 . 1 87 87 PRO HB3 H 1 2.322 0.014 . 2 . . . . A 83 PRO HB3 . 34868 2
777 . 1 . 1 87 87 PRO HG2 H 1 2.045 0.007 . 2 . . . . A 83 PRO HG2 . 34868 2
778 . 1 . 1 87 87 PRO HG3 H 1 2.039 0.016 . 2 . . . . A 83 PRO HG3 . 34868 2
779 . 1 . 1 87 87 PRO HD2 H 1 3.807 0.024 . 2 . . . . A 83 PRO HD2 . 34868 2
780 . 1 . 1 87 87 PRO HD3 H 1 3.788 0.012 . 2 . . . . A 83 PRO HD3 . 34868 2
781 . 1 . 1 87 87 PRO CA C 13 63.706 0.030 . 1 . . . . A 83 PRO CA . 34868 2
782 . 1 . 1 87 87 PRO CB C 13 32.076 0.054 . 1 . . . . A 83 PRO CB . 34868 2
783 . 1 . 1 87 87 PRO CG C 13 27.258 0.054 . 1 . . . . A 83 PRO CG . 34868 2
784 . 1 . 1 87 87 PRO CD C 13 50.810 0.019 . 1 . . . . A 83 PRO CD . 34868 2
785 . 1 . 1 88 88 ALA HA H 1 4.323 0.000 . 1 . . . . A 84 ALA HA . 34868 2
786 . 1 . 1 88 88 ALA HB1 H 1 1.401 0.000 . 1 . . . . A 84 ALA HB1 . 34868 2
787 . 1 . 1 88 88 ALA HB2 H 1 1.401 0.000 . 1 . . . . A 84 ALA HB2 . 34868 2
788 . 1 . 1 88 88 ALA HB3 H 1 1.401 0.000 . 1 . . . . A 84 ALA HB3 . 34868 2
789 . 1 . 1 88 88 ALA CA C 13 52.377 0.000 . 1 . . . . A 84 ALA CA . 34868 2
790 . 1 . 1 88 88 ALA CB C 13 19.014 0.000 . 1 . . . . A 84 ALA CB . 34868 2
791 . 1 . 1 89 89 ALA HA H 1 4.382 0.000 . 1 . . . . A 85 ALA HA . 34868 2
792 . 1 . 1 89 89 ALA HB1 H 1 1.429 0.004 . 1 . . . . A 85 ALA HB1 . 34868 2
793 . 1 . 1 89 89 ALA HB2 H 1 1.429 0.004 . 1 . . . . A 85 ALA HB2 . 34868 2
794 . 1 . 1 89 89 ALA HB3 H 1 1.429 0.004 . 1 . . . . A 85 ALA HB3 . 34868 2
795 . 1 . 1 89 89 ALA CA C 13 52.349 0.000 . 1 . . . . A 85 ALA CA . 34868 2
796 . 1 . 1 89 89 ALA CB C 13 19.217 0.000 . 1 . . . . A 85 ALA CB . 34868 2
797 . 1 . 1 90 90 GLN HA H 1 4.447 0.010 . 1 . . . . A 86 GLN HA . 34868 2
798 . 1 . 1 90 90 GLN HB3 H 1 2.185 0.010 . 1 . . . . A 86 GLN HB3 . 34868 2
799 . 1 . 1 90 90 GLN HG2 H 1 2.410 0.002 . 2 . . . . A 86 GLN HG2 . 34868 2
800 . 1 . 1 90 90 GLN HG3 H 1 2.409 0.000 . 2 . . . . A 86 GLN HG3 . 34868 2
801 . 1 . 1 90 90 GLN CA C 13 55.690 0.078 . 1 . . . . A 86 GLN CA . 34868 2
802 . 1 . 1 90 90 GLN CB C 13 29.440 0.042 . 1 . . . . A 86 GLN CB . 34868 2
803 . 1 . 1 91 91 THR HA H 1 4.378 0.006 . 1 . . . . A 87 THR HA . 34868 2
804 . 1 . 1 91 91 THR HB H 1 4.272 0.005 . 1 . . . . A 87 THR HB . 34868 2
805 . 1 . 1 91 91 THR HG21 H 1 1.218 0.000 . 1 . . . . A 87 THR HG21 . 34868 2
806 . 1 . 1 91 91 THR HG22 H 1 1.218 0.000 . 1 . . . . A 87 THR HG22 . 34868 2
807 . 1 . 1 91 91 THR HG23 H 1 1.218 0.000 . 1 . . . . A 87 THR HG23 . 34868 2
808 . 1 . 1 91 91 THR CA C 13 61.767 0.015 . 1 . . . . A 87 THR CA . 34868 2
809 . 1 . 1 91 91 THR CB C 13 69.874 0.024 . 1 . . . . A 87 THR CB . 34868 2
810 . 1 . 1 91 91 THR CG2 C 13 21.441 0.000 . 1 . . . . A 87 THR CG2 . 34868 2
811 . 1 . 1 92 92 GLN HA H 1 4.211 0.001 . 1 . . . . A 88 GLN HA . 34868 2
812 . 1 . 1 92 92 GLN HB2 H 1 2.149 0.003 . 2 . . . . A 88 GLN HB2 . 34868 2
813 . 1 . 1 92 92 GLN HB3 H 1 1.949 0.000 . 2 . . . . A 88 GLN HB3 . 34868 2
814 . 1 . 1 92 92 GLN HG2 H 1 2.322 0.001 . 2 . . . . A 88 GLN HG2 . 34868 2
815 . 1 . 1 92 92 GLN HG3 H 1 2.321 0.000 . 2 . . . . A 88 GLN HG3 . 34868 2
816 . 1 . 1 92 92 GLN CA C 13 57.407 0.000 . 1 . . . . A 88 GLN CA . 34868 2
817 . 1 . 1 92 92 GLN CB C 13 30.335 0.085 . 1 . . . . A 88 GLN CB . 34868 2
818 . 1 . 1 92 92 GLN CG C 13 34.201 0.000 . 1 . . . . A 88 GLN CG . 34868 2
stop_
save_