Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 36418
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 3D-NOESY 1 $sample_1 anisotropic 36418 1
2 '3D HCCH-TOCSY' 1 $sample_1 anisotropic 36418 1
3 '3D HNCACB' 1 $sample_1 anisotropic 36418 1
4 '3D CBCA(CO)NH' 1 $sample_1 anisotropic 36418 1
5 '3D HNCO' 1 $sample_1 anisotropic 36418 1
6 '3D 1H-15N NOESY' 2 $sample_2 anisotropic 36418 1
7 '2D 1H-15N HSQC NH2 only' 1 $sample_1 anisotropic 36418 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 2 2 THR C C 13 173.291 0.000 . 1 . . . . A 514 THR C . 36418 1
2 . 1 . 1 2 2 THR CA C 13 61.684 0.063 . 1 . . . . A 514 THR CA . 36418 1
3 . 1 . 1 2 2 THR CB C 13 69.946 0.001 . 1 . . . . A 514 THR CB . 36418 1
4 . 1 . 1 3 3 ALA H H 1 8.127 0.004 . 1 . . . . A 515 ALA H . 36418 1
5 . 1 . 1 3 3 ALA HA H 1 4.358 0.004 . 1 . . . . A 515 ALA HA . 36418 1
6 . 1 . 1 3 3 ALA HB1 H 1 1.240 0.005 . 1 . . . . A 515 ALA HB1 . 36418 1
7 . 1 . 1 3 3 ALA HB2 H 1 1.240 0.005 . 1 . . . . A 515 ALA HB2 . 36418 1
8 . 1 . 1 3 3 ALA HB3 H 1 1.240 0.005 . 1 . . . . A 515 ALA HB3 . 36418 1
9 . 1 . 1 3 3 ALA CA C 13 50.273 0.124 . 1 . . . . A 515 ALA CA . 36418 1
10 . 1 . 1 3 3 ALA CB C 13 19.297 0.083 . 1 . . . . A 515 ALA CB . 36418 1
11 . 1 . 1 3 3 ALA N N 15 126.532 0.050 . 1 . . . . A 515 ALA N . 36418 1
12 . 1 . 1 4 4 PRO HA H 1 4.314 0.009 . 1 . . . . A 516 PRO HA . 36418 1
13 . 1 . 1 4 4 PRO HB2 H 1 2.215 0.010 . . . . . . A 516 PRO HB2 . 36418 1
14 . 1 . 1 4 4 PRO HB3 H 1 1.820 0.007 . . . . . . A 516 PRO HB3 . 36418 1
15 . 1 . 1 4 4 PRO HG2 H 1 1.947 0.006 . . . . . . A 516 PRO HG2 . 36418 1
16 . 1 . 1 4 4 PRO HG3 H 1 1.947 0.006 . . . . . . A 516 PRO HG3 . 36418 1
17 . 1 . 1 4 4 PRO HD2 H 1 3.737 0.003 . . . . . . A 516 PRO HD2 . 36418 1
18 . 1 . 1 4 4 PRO HD3 H 1 3.563 0.005 . . . . . . A 516 PRO HD3 . 36418 1
19 . 1 . 1 4 4 PRO C C 13 176.605 0.000 . 1 . . . . A 516 PRO C . 36418 1
20 . 1 . 1 4 4 PRO CA C 13 62.977 0.040 . 1 . . . . A 516 PRO CA . 36418 1
21 . 1 . 1 4 4 PRO CB C 13 31.988 0.053 . 1 . . . . A 516 PRO CB . 36418 1
22 . 1 . 1 4 4 PRO CG C 13 27.384 0.018 . 1 . . . . A 516 PRO CG . 36418 1
23 . 1 . 1 4 4 PRO CD C 13 50.474 0.023 . 1 . . . . A 516 PRO CD . 36418 1
24 . 1 . 1 5 5 ALA H H 1 8.291 0.002 . 1 . . . . A 517 ALA H . 36418 1
25 . 1 . 1 5 5 ALA HA H 1 4.186 0.003 . 1 . . . . A 517 ALA HA . 36418 1
26 . 1 . 1 5 5 ALA HB1 H 1 1.303 0.002 . 1 . . . . A 517 ALA HB1 . 36418 1
27 . 1 . 1 5 5 ALA HB2 H 1 1.303 0.002 . 1 . . . . A 517 ALA HB2 . 36418 1
28 . 1 . 1 5 5 ALA HB3 H 1 1.303 0.002 . 1 . . . . A 517 ALA HB3 . 36418 1
29 . 1 . 1 5 5 ALA CA C 13 52.315 0.034 . 1 . . . . A 517 ALA CA . 36418 1
30 . 1 . 1 5 5 ALA CB C 13 19.061 0.080 . 1 . . . . A 517 ALA CB . 36418 1
31 . 1 . 1 5 5 ALA N N 15 124.345 0.025 . 1 . . . . A 517 ALA N . 36418 1
32 . 1 . 1 7 7 LYS HA H 1 4.189 0.000 . 1 . . . . A 519 LYS HA . 36418 1
33 . 1 . 1 7 7 LYS HB2 H 1 1.590 0.000 . . . . . . A 519 LYS HB2 . 36418 1
34 . 1 . 1 7 7 LYS HB3 H 1 1.324 0.000 . . . . . . A 519 LYS HB3 . 36418 1
35 . 1 . 1 7 7 LYS C C 13 175.968 0.000 . 1 . . . . A 519 LYS C . 36418 1
36 . 1 . 1 7 7 LYS CA C 13 56.258 0.008 . 1 . . . . A 519 LYS CA . 36418 1
37 . 1 . 1 7 7 LYS CB C 13 33.230 0.000 . 1 . . . . A 519 LYS CB . 36418 1
38 . 1 . 1 8 8 TYR H H 1 8.185 0.005 . 1 . . . . A 520 TYR H . 36418 1
39 . 1 . 1 8 8 TYR HA H 1 4.585 0.006 . 1 . . . . A 520 TYR HA . 36418 1
40 . 1 . 1 8 8 TYR HB2 H 1 2.975 0.005 . . . . . . A 520 TYR HB2 . 36418 1
41 . 1 . 1 8 8 TYR HB3 H 1 2.868 0.002 . . . . . . A 520 TYR HB3 . 36418 1
42 . 1 . 1 8 8 TYR CA C 13 57.522 0.028 . 1 . . . . A 520 TYR CA . 36418 1
43 . 1 . 1 8 8 TYR CB C 13 38.948 0.018 . 1 . . . . A 520 TYR CB . 36418 1
44 . 1 . 1 8 8 TYR N N 15 121.739 0.085 . 1 . . . . A 520 TYR N . 36418 1
45 . 1 . 1 9 9 THR HA H 1 4.283 0.005 . 1 . . . . A 521 THR HA . 36418 1
46 . 1 . 1 9 9 THR HB H 1 4.134 0.002 . 1 . . . . A 521 THR HB . 36418 1
47 . 1 . 1 9 9 THR HG21 H 1 1.135 0.002 . 1 . . . . A 521 THR HG21 . 36418 1
48 . 1 . 1 9 9 THR HG22 H 1 1.135 0.002 . 1 . . . . A 521 THR HG22 . 36418 1
49 . 1 . 1 9 9 THR HG23 H 1 1.135 0.002 . 1 . . . . A 521 THR HG23 . 36418 1
50 . 1 . 1 9 9 THR C C 13 173.898 0.005 . 1 . . . . A 521 THR C . 36418 1
51 . 1 . 1 9 9 THR CA C 13 61.590 0.034 . 1 . . . . A 521 THR CA . 36418 1
52 . 1 . 1 9 9 THR CB C 13 69.842 0.014 . 1 . . . . A 521 THR CB . 36418 1
53 . 1 . 1 9 9 THR CG2 C 13 21.573 0.013 . 1 . . . . A 521 THR CG2 . 36418 1
54 . 1 . 1 10 10 ARG H H 1 8.290 0.002 . 1 . . . . A 522 ARG H . 36418 1
55 . 1 . 1 10 10 ARG CA C 13 50.564 0.012 . 1 . . . . A 522 ARG CA . 36418 1
56 . 1 . 1 10 10 ARG CB C 13 17.979 0.000 . 1 . . . . A 522 ARG CB . 36418 1
57 . 1 . 1 10 10 ARG N N 15 128.268 0.034 . 1 . . . . A 522 ARG N . 36418 1
58 . 1 . 1 11 11 LYS HA H 1 4.193 0.000 . 1 . . . . A 523 LYS HA . 36418 1
59 . 1 . 1 11 11 LYS HB2 H 1 1.574 0.000 . . . . . . A 523 LYS HB2 . 36418 1
60 . 1 . 1 11 11 LYS HB3 H 1 1.316 0.000 . . . . . . A 523 LYS HB3 . 36418 1
61 . 1 . 1 11 11 LYS C C 13 177.801 0.000 . 1 . . . . A 523 LYS C . 36418 1
62 . 1 . 1 11 11 LYS CA C 13 52.374 0.031 . 1 . . . . A 523 LYS CA . 36418 1
63 . 1 . 1 11 11 LYS CB C 13 19.059 0.112 . 1 . . . . A 523 LYS CB . 36418 1
64 . 1 . 1 12 12 MET H H 1 8.188 0.003 . 1 . . . . A 524 MET H . 36418 1
65 . 1 . 1 12 12 MET HA H 1 4.402 0.005 . 1 . . . . A 524 MET HA . 36418 1
66 . 1 . 1 12 12 MET HB2 H 1 2.004 0.007 . . . . . . A 524 MET HB2 . 36418 1
67 . 1 . 1 12 12 MET HB3 H 1 2.004 0.007 . . . . . . A 524 MET HB3 . 36418 1
68 . 1 . 1 12 12 MET HG2 H 1 2.556 0.006 . . . . . . A 524 MET HG2 . 36418 1
69 . 1 . 1 12 12 MET HG3 H 1 2.556 0.006 . . . . . . A 524 MET HG3 . 36418 1
70 . 1 . 1 12 12 MET C C 13 176.560 0.000 . 1 . . . . A 524 MET C . 36418 1
71 . 1 . 1 12 12 MET CA C 13 55.952 0.093 . 1 . . . . A 524 MET CA . 36418 1
72 . 1 . 1 12 12 MET CB C 13 32.965 0.041 . 1 . . . . A 524 MET CB . 36418 1
73 . 1 . 1 12 12 MET CG C 13 32.108 0.192 . 1 . . . . A 524 MET CG . 36418 1
74 . 1 . 1 12 12 MET N N 15 120.928 0.050 . 1 . . . . A 524 MET N . 36418 1
75 . 1 . 1 13 13 TRP H H 1 8.815 0.006 . 1 . . . . A 525 TRP H . 36418 1
76 . 1 . 1 13 13 TRP HA H 1 4.238 0.012 . 1 . . . . A 525 TRP HA . 36418 1
77 . 1 . 1 13 13 TRP HB2 H 1 2.955 0.004 . . . . . . A 525 TRP HB2 . 36418 1
78 . 1 . 1 13 13 TRP HB3 H 1 2.882 0.005 . . . . . . A 525 TRP HB3 . 36418 1
79 . 1 . 1 13 13 TRP C C 13 176.646 0.000 . 1 . . . . A 525 TRP C . 36418 1
80 . 1 . 1 13 13 TRP CA C 13 58.400 0.101 . 1 . . . . A 525 TRP CA . 36418 1
81 . 1 . 1 13 13 TRP CB C 13 28.447 0.048 . 1 . . . . A 525 TRP CB . 36418 1
82 . 1 . 1 13 13 TRP N N 15 124.972 0.042 . 1 . . . . A 525 TRP N . 36418 1
83 . 1 . 1 14 14 SER H H 1 8.765 0.047 . 1 . . . . A 526 SER H . 36418 1
84 . 1 . 1 14 14 SER HA H 1 4.652 0.008 . 1 . . . . A 526 SER HA . 36418 1
85 . 1 . 1 14 14 SER HB2 H 1 4.307 0.005 . . . . . . A 526 SER HB2 . 36418 1
86 . 1 . 1 14 14 SER HB3 H 1 3.953 0.005 . . . . . . A 526 SER HB3 . 36418 1
87 . 1 . 1 14 14 SER CA C 13 56.350 0.058 . 1 . . . . A 526 SER CA . 36418 1
88 . 1 . 1 14 14 SER CB C 13 66.203 0.062 . 1 . . . . A 526 SER CB . 36418 1
89 . 1 . 1 14 14 SER N N 15 121.226 0.033 . 1 . . . . A 526 SER N . 36418 1
90 . 1 . 1 15 15 VAL HA H 1 3.733 0.005 . 1 . . . . A 527 VAL HA . 36418 1
91 . 1 . 1 15 15 VAL HB H 1 1.921 0.006 . 1 . . . . A 527 VAL HB . 36418 1
92 . 1 . 1 15 15 VAL HG11 H 1 1.006 0.006 . . . . . . A 527 VAL HG11 . 36418 1
93 . 1 . 1 15 15 VAL HG12 H 1 1.006 0.006 . . . . . . A 527 VAL HG12 . 36418 1
94 . 1 . 1 15 15 VAL HG13 H 1 1.006 0.006 . . . . . . A 527 VAL HG13 . 36418 1
95 . 1 . 1 15 15 VAL HG21 H 1 0.864 0.005 . . . . . . A 527 VAL HG21 . 36418 1
96 . 1 . 1 15 15 VAL HG22 H 1 0.864 0.005 . . . . . . A 527 VAL HG22 . 36418 1
97 . 1 . 1 15 15 VAL HG23 H 1 0.864 0.005 . . . . . . A 527 VAL HG23 . 36418 1
98 . 1 . 1 15 15 VAL C C 13 178.304 0.000 . 1 . . . . A 527 VAL C . 36418 1
99 . 1 . 1 15 15 VAL CA C 13 66.384 0.037 . 1 . . . . A 527 VAL CA . 36418 1
100 . 1 . 1 15 15 VAL CB C 13 31.698 0.091 . 1 . . . . A 527 VAL CB . 36418 1
101 . 1 . 1 15 15 VAL CG1 C 13 22.142 0.022 . . . . . . A 527 VAL CG1 . 36418 1
102 . 1 . 1 15 15 VAL CG2 C 13 20.899 0.038 . . . . . . A 527 VAL CG2 . 36418 1
103 . 1 . 1 16 16 GLN H H 1 8.122 0.003 . 1 . . . . A 528 GLN H . 36418 1
104 . 1 . 1 16 16 GLN HA H 1 3.558 0.005 . 1 . . . . A 528 GLN HA . 36418 1
105 . 1 . 1 16 16 GLN HB2 H 1 1.588 0.005 . . . . . . A 528 GLN HB2 . 36418 1
106 . 1 . 1 16 16 GLN HB3 H 1 1.236 0.008 . . . . . . A 528 GLN HB3 . 36418 1
107 . 1 . 1 16 16 GLN HG2 H 1 1.198 0.007 . . . . . . A 528 GLN HG2 . 36418 1
108 . 1 . 1 16 16 GLN HG3 H 1 1.120 0.005 . . . . . . A 528 GLN HG3 . 36418 1
109 . 1 . 1 16 16 GLN C C 13 177.265 0.000 . 1 . . . . A 528 GLN C . 36418 1
110 . 1 . 1 16 16 GLN CA C 13 58.538 0.037 . 1 . . . . A 528 GLN CA . 36418 1
111 . 1 . 1 16 16 GLN CB C 13 28.316 0.053 . 1 . . . . A 528 GLN CB . 36418 1
112 . 1 . 1 16 16 GLN CG C 13 33.380 0.006 . 1 . . . . A 528 GLN CG . 36418 1
113 . 1 . 1 16 16 GLN N N 15 119.169 0.027 . 1 . . . . A 528 GLN N . 36418 1
114 . 1 . 1 17 17 GLU H H 1 7.602 0.004 . 1 . . . . A 529 GLU H . 36418 1
115 . 1 . 1 17 17 GLU HA H 1 3.774 0.008 . 1 . . . . A 529 GLU HA . 36418 1
116 . 1 . 1 17 17 GLU HB2 H 1 2.328 0.001 . . . . . . A 529 GLU HB2 . 36418 1
117 . 1 . 1 17 17 GLU HB3 H 1 2.248 0.001 . . . . . . A 529 GLU HB3 . 36418 1
118 . 1 . 1 17 17 GLU C C 13 179.227 0.000 . 1 . . . . A 529 GLU C . 36418 1
119 . 1 . 1 17 17 GLU CA C 13 59.415 0.035 . 1 . . . . A 529 GLU CA . 36418 1
120 . 1 . 1 17 17 GLU CB C 13 31.973 0.004 . 1 . . . . A 529 GLU CB . 36418 1
121 . 1 . 1 17 17 GLU CG C 13 39.010 0.000 . 1 . . . . A 529 GLU CG . 36418 1
122 . 1 . 1 17 17 GLU N N 15 117.189 0.019 . 1 . . . . A 529 GLU N . 36418 1
123 . 1 . 1 18 18 SER H H 1 8.049 0.004 . 1 . . . . A 530 SER H . 36418 1
124 . 1 . 1 18 18 SER HA H 1 4.300 0.024 . 1 . . . . A 530 SER HA . 36418 1
125 . 1 . 1 18 18 SER HB2 H 1 3.907 0.011 . . . . . . A 530 SER HB2 . 36418 1
126 . 1 . 1 18 18 SER HB3 H 1 3.907 0.011 . . . . . . A 530 SER HB3 . 36418 1
127 . 1 . 1 18 18 SER C C 13 175.419 0.000 . 1 . . . . A 530 SER C . 36418 1
128 . 1 . 1 18 18 SER CA C 13 63.161 0.062 . 1 . . . . A 530 SER CA . 36418 1
129 . 1 . 1 18 18 SER CB C 13 63.093 0.010 . 1 . . . . A 530 SER CB . 36418 1
130 . 1 . 1 18 18 SER N N 15 115.676 0.029 . 1 . . . . A 530 SER N . 36418 1
131 . 1 . 1 19 19 GLU H H 1 8.107 0.003 . 1 . . . . A 531 GLU H . 36418 1
132 . 1 . 1 19 19 GLU HA H 1 4.043 0.008 . 1 . . . . A 531 GLU HA . 36418 1
133 . 1 . 1 19 19 GLU HB2 H 1 1.929 0.009 . . . . . . A 531 GLU HB2 . 36418 1
134 . 1 . 1 19 19 GLU HB3 H 1 1.929 0.009 . . . . . . A 531 GLU HB3 . 36418 1
135 . 1 . 1 19 19 GLU HG2 H 1 2.231 0.006 . . . . . . A 531 GLU HG2 . 36418 1
136 . 1 . 1 19 19 GLU HG3 H 1 2.231 0.006 . . . . . . A 531 GLU HG3 . 36418 1
137 . 1 . 1 19 19 GLU C C 13 179.529 0.000 . 1 . . . . A 531 GLU C . 36418 1
138 . 1 . 1 19 19 GLU CA C 13 59.097 0.032 . 1 . . . . A 531 GLU CA . 36418 1
139 . 1 . 1 19 19 GLU CB C 13 28.722 0.045 . 1 . . . . A 531 GLU CB . 36418 1
140 . 1 . 1 19 19 GLU CG C 13 36.058 0.016 . 1 . . . . A 531 GLU CG . 36418 1
141 . 1 . 1 19 19 GLU N N 15 121.965 0.025 . 1 . . . . A 531 GLU N . 36418 1
142 . 1 . 1 20 20 TRP H H 1 8.156 0.003 . 1 . . . . A 532 TRP H . 36418 1
143 . 1 . 1 20 20 TRP HA H 1 3.946 0.008 . 1 . . . . A 532 TRP HA . 36418 1
144 . 1 . 1 20 20 TRP HB2 H 1 1.987 0.005 . . . . . . A 532 TRP HB2 . 36418 1
145 . 1 . 1 20 20 TRP HB3 H 1 3.201 0.010 . . . . . . A 532 TRP HB3 . 36418 1
146 . 1 . 1 20 20 TRP HE1 H 1 9.938 0.001 . 1 . . . . A 532 TRP HE1 . 36418 1
147 . 1 . 1 20 20 TRP C C 13 177.987 0.000 . 1 . . . . A 532 TRP C . 36418 1
148 . 1 . 1 20 20 TRP CA C 13 58.035 0.027 . 1 . . . . A 532 TRP CA . 36418 1
149 . 1 . 1 20 20 TRP CB C 13 29.343 0.047 . 1 . . . . A 532 TRP CB . 36418 1
150 . 1 . 1 20 20 TRP N N 15 121.194 0.025 . 1 . . . . A 532 TRP N . 36418 1
151 . 1 . 1 20 20 TRP NE1 N 15 127.379 0.022 . 1 . . . . A 532 TRP NE1 . 36418 1
152 . 1 . 1 21 21 LEU H H 1 8.303 0.005 . 1 . . . . A 533 LEU H . 36418 1
153 . 1 . 1 21 21 LEU HA H 1 4.196 0.012 . 1 . . . . A 533 LEU HA . 36418 1
154 . 1 . 1 21 21 LEU HB2 H 1 1.921 0.009 . . . . . . A 533 LEU HB2 . 36418 1
155 . 1 . 1 21 21 LEU HB3 H 1 2.452 0.009 . . . . . . A 533 LEU HB3 . 36418 1
156 . 1 . 1 21 21 LEU HG H 1 2.012 0.007 . 1 . . . . A 533 LEU HG . 36418 1
157 . 1 . 1 21 21 LEU HD11 H 1 1.067 0.005 . . . . . . A 533 LEU HD11 . 36418 1
158 . 1 . 1 21 21 LEU HD12 H 1 1.067 0.005 . . . . . . A 533 LEU HD12 . 36418 1
159 . 1 . 1 21 21 LEU HD13 H 1 1.067 0.005 . . . . . . A 533 LEU HD13 . 36418 1
160 . 1 . 1 21 21 LEU HD21 H 1 1.188 0.004 . . . . . . A 533 LEU HD21 . 36418 1
161 . 1 . 1 21 21 LEU HD22 H 1 1.188 0.004 . . . . . . A 533 LEU HD22 . 36418 1
162 . 1 . 1 21 21 LEU HD23 H 1 1.188 0.004 . . . . . . A 533 LEU HD23 . 36418 1
163 . 1 . 1 21 21 LEU C C 13 177.791 0.000 . 1 . . . . A 533 LEU C . 36418 1
164 . 1 . 1 21 21 LEU CA C 13 58.938 0.032 . 1 . . . . A 533 LEU CA . 36418 1
165 . 1 . 1 21 21 LEU CB C 13 42.650 0.041 . 1 . . . . A 533 LEU CB . 36418 1
166 . 1 . 1 21 21 LEU CG C 13 27.675 0.096 . 1 . . . . A 533 LEU CG . 36418 1
167 . 1 . 1 21 21 LEU CD1 C 13 27.547 0.032 . . . . . . A 533 LEU CD1 . 36418 1
168 . 1 . 1 21 21 LEU CD2 C 13 24.839 0.028 . . . . . . A 533 LEU CD2 . 36418 1
169 . 1 . 1 21 21 LEU N N 15 118.986 0.025 . 1 . . . . A 533 LEU N . 36418 1
170 . 1 . 1 22 22 LYS H H 1 7.988 0.004 . 1 . . . . A 534 LYS H . 36418 1
171 . 1 . 1 22 22 LYS HA H 1 4.129 0.007 . 1 . . . . A 534 LYS HA . 36418 1
172 . 1 . 1 22 22 LYS HB2 H 1 2.051 0.010 . . . . . . A 534 LYS HB2 . 36418 1
173 . 1 . 1 22 22 LYS HB3 H 1 2.051 0.010 . . . . . . A 534 LYS HB3 . 36418 1
174 . 1 . 1 22 22 LYS HG2 H 1 1.855 0.008 . . . . . . A 534 LYS HG2 . 36418 1
175 . 1 . 1 22 22 LYS HG3 H 1 1.593 0.004 . . . . . . A 534 LYS HG3 . 36418 1
176 . 1 . 1 22 22 LYS HD2 H 1 1.726 0.005 . . . . . . A 534 LYS HD2 . 36418 1
177 . 1 . 1 22 22 LYS HD3 H 1 1.726 0.005 . . . . . . A 534 LYS HD3 . 36418 1
178 . 1 . 1 22 22 LYS HE2 H 1 2.874 0.006 . . . . . . A 534 LYS HE2 . 36418 1
179 . 1 . 1 22 22 LYS HE3 H 1 2.874 0.006 . . . . . . A 534 LYS HE3 . 36418 1
180 . 1 . 1 22 22 LYS C C 13 179.236 0.000 . 1 . . . . A 534 LYS C . 36418 1
181 . 1 . 1 22 22 LYS CA C 13 60.620 0.029 . 1 . . . . A 534 LYS CA . 36418 1
182 . 1 . 1 22 22 LYS CB C 13 32.720 0.063 . 1 . . . . A 534 LYS CB . 36418 1
183 . 1 . 1 22 22 LYS CG C 13 25.759 0.022 . 1 . . . . A 534 LYS CG . 36418 1
184 . 1 . 1 22 22 LYS CD C 13 29.860 0.050 . 1 . . . . A 534 LYS CD . 36418 1
185 . 1 . 1 22 22 LYS CE C 13 41.543 0.027 . 1 . . . . A 534 LYS CE . 36418 1
186 . 1 . 1 22 22 LYS N N 15 117.498 0.026 . 1 . . . . A 534 LYS N . 36418 1
187 . 1 . 1 23 23 GLN H H 1 8.446 0.006 . 1 . . . . A 535 GLN H . 36418 1
188 . 1 . 1 23 23 GLN HA H 1 3.948 0.008 . 1 . . . . A 535 GLN HA . 36418 1
189 . 1 . 1 23 23 GLN HB2 H 1 2.227 0.003 . . . . . . A 535 GLN HB2 . 36418 1
190 . 1 . 1 23 23 GLN HB3 H 1 2.127 0.002 . . . . . . A 535 GLN HB3 . 36418 1
191 . 1 . 1 23 23 GLN HG2 H 1 2.658 0.007 . . . . . . A 535 GLN HG2 . 36418 1
192 . 1 . 1 23 23 GLN HG3 H 1 2.447 0.006 . . . . . . A 535 GLN HG3 . 36418 1
193 . 1 . 1 23 23 GLN C C 13 179.880 0.000 . 1 . . . . A 535 GLN C . 36418 1
194 . 1 . 1 23 23 GLN CA C 13 58.751 0.047 . 1 . . . . A 535 GLN CA . 36418 1
195 . 1 . 1 23 23 GLN CB C 13 28.534 0.066 . 1 . . . . A 535 GLN CB . 36418 1
196 . 1 . 1 23 23 GLN CG C 13 34.294 0.023 . 1 . . . . A 535 GLN CG . 36418 1
197 . 1 . 1 23 23 GLN N N 15 118.104 0.027 . 1 . . . . A 535 GLN N . 36418 1
198 . 1 . 1 24 24 GLY H H 1 9.150 0.004 . 1 . . . . A 536 GLY H . 36418 1
199 . 1 . 1 24 24 GLY HA2 H 1 3.923 0.005 . . . . . . A 536 GLY HA2 . 36418 1
200 . 1 . 1 24 24 GLY HA3 H 1 3.923 0.005 . . . . . . A 536 GLY HA3 . 36418 1
201 . 1 . 1 24 24 GLY C C 13 174.438 0.000 . 1 . . . . A 536 GLY C . 36418 1
202 . 1 . 1 24 24 GLY CA C 13 48.282 0.073 . 1 . . . . A 536 GLY CA . 36418 1
203 . 1 . 1 24 24 GLY N N 15 109.573 0.024 . 1 . . . . A 536 GLY N . 36418 1
204 . 1 . 1 25 25 VAL H H 1 8.469 0.003 . 1 . . . . A 537 VAL H . 36418 1
205 . 1 . 1 25 25 VAL HA H 1 3.122 0.007 . 1 . . . . A 537 VAL HA . 36418 1
206 . 1 . 1 25 25 VAL HB H 1 1.532 0.007 . 1 . . . . A 537 VAL HB . 36418 1
207 . 1 . 1 25 25 VAL HG11 H 1 0.310 0.005 . . . . . . A 537 VAL HG11 . 36418 1
208 . 1 . 1 25 25 VAL HG12 H 1 0.310 0.005 . . . . . . A 537 VAL HG12 . 36418 1
209 . 1 . 1 25 25 VAL HG13 H 1 0.310 0.005 . . . . . . A 537 VAL HG13 . 36418 1
210 . 1 . 1 25 25 VAL HG21 H 1 -0.179 0.005 . . . . . . A 537 VAL HG21 . 36418 1
211 . 1 . 1 25 25 VAL HG22 H 1 -0.179 0.005 . . . . . . A 537 VAL HG22 . 36418 1
212 . 1 . 1 25 25 VAL HG23 H 1 -0.179 0.005 . . . . . . A 537 VAL HG23 . 36418 1
213 . 1 . 1 25 25 VAL C C 13 179.578 0.000 . 1 . . . . A 537 VAL C . 36418 1
214 . 1 . 1 25 25 VAL CA C 13 66.943 0.017 . 1 . . . . A 537 VAL CA . 36418 1
215 . 1 . 1 25 25 VAL CB C 13 31.015 0.086 . 1 . . . . A 537 VAL CB . 36418 1
216 . 1 . 1 25 25 VAL CG1 C 13 21.155 0.026 . . . . . . A 537 VAL CG1 . 36418 1
217 . 1 . 1 25 25 VAL CG2 C 13 22.748 0.025 . . . . . . A 537 VAL CG2 . 36418 1
218 . 1 . 1 25 25 VAL N N 15 124.463 0.018 . 1 . . . . A 537 VAL N . 36418 1
219 . 1 . 1 26 26 VAL H H 1 7.856 0.003 . 1 . . . . A 538 VAL H . 36418 1
220 . 1 . 1 26 26 VAL HA H 1 3.487 0.006 . 1 . . . . A 538 VAL HA . 36418 1
221 . 1 . 1 26 26 VAL HB H 1 2.094 0.004 . 1 . . . . A 538 VAL HB . 36418 1
222 . 1 . 1 26 26 VAL HG11 H 1 1.045 0.007 . . . . . . A 538 VAL HG11 . 36418 1
223 . 1 . 1 26 26 VAL HG12 H 1 1.045 0.007 . . . . . . A 538 VAL HG12 . 36418 1
224 . 1 . 1 26 26 VAL HG13 H 1 1.045 0.007 . . . . . . A 538 VAL HG13 . 36418 1
225 . 1 . 1 26 26 VAL HG21 H 1 0.850 0.007 . . . . . . A 538 VAL HG21 . 36418 1
226 . 1 . 1 26 26 VAL HG22 H 1 0.850 0.007 . . . . . . A 538 VAL HG22 . 36418 1
227 . 1 . 1 26 26 VAL HG23 H 1 0.850 0.007 . . . . . . A 538 VAL HG23 . 36418 1
228 . 1 . 1 26 26 VAL C C 13 177.649 0.000 . 1 . . . . A 538 VAL C . 36418 1
229 . 1 . 1 26 26 VAL CA C 13 66.749 0.030 . 1 . . . . A 538 VAL CA . 36418 1
230 . 1 . 1 26 26 VAL CB C 13 31.608 0.093 . 1 . . . . A 538 VAL CB . 36418 1
231 . 1 . 1 26 26 VAL CG1 C 13 23.051 0.017 . . . . . . A 538 VAL CG1 . 36418 1
232 . 1 . 1 26 26 VAL CG2 C 13 21.076 0.045 . . . . . . A 538 VAL CG2 . 36418 1
233 . 1 . 1 26 26 VAL N N 15 121.293 0.026 . 1 . . . . A 538 VAL N . 36418 1
234 . 1 . 1 27 27 ARG H H 1 7.760 0.008 . 1 . . . . A 539 ARG H . 36418 1
235 . 1 . 1 27 27 ARG HA H 1 3.794 0.007 . 1 . . . . A 539 ARG HA . 36418 1
236 . 1 . 1 27 27 ARG HB2 H 1 1.058 0.004 . . . . . . A 539 ARG HB2 . 36418 1
237 . 1 . 1 27 27 ARG HB3 H 1 1.478 0.006 . . . . . . A 539 ARG HB3 . 36418 1
238 . 1 . 1 27 27 ARG HG2 H 1 0.791 0.005 . . . . . . A 539 ARG HG2 . 36418 1
239 . 1 . 1 27 27 ARG HG3 H 1 1.145 0.006 . . . . . . A 539 ARG HG3 . 36418 1
240 . 1 . 1 27 27 ARG HD2 H 1 2.820 0.002 . . . . . . A 539 ARG HD2 . 36418 1
241 . 1 . 1 27 27 ARG HD3 H 1 2.723 0.001 . . . . . . A 539 ARG HD3 . 36418 1
242 . 1 . 1 27 27 ARG C C 13 177.830 0.000 . 1 . . . . A 539 ARG C . 36418 1
243 . 1 . 1 27 27 ARG CA C 13 58.899 0.041 . 1 . . . . A 539 ARG CA . 36418 1
244 . 1 . 1 27 27 ARG CB C 13 31.186 0.036 . 1 . . . . A 539 ARG CB . 36418 1
245 . 1 . 1 27 27 ARG CG C 13 26.345 0.033 . 1 . . . . A 539 ARG CG . 36418 1
246 . 1 . 1 27 27 ARG CD C 13 43.522 0.012 . 1 . . . . A 539 ARG CD . 36418 1
247 . 1 . 1 27 27 ARG N N 15 117.417 0.027 . 1 . . . . A 539 ARG N . 36418 1
248 . 1 . 1 28 28 TYR H H 1 8.493 0.003 . 1 . . . . A 540 TYR H . 36418 1
249 . 1 . 1 28 28 TYR HA H 1 4.515 0.005 . 1 . . . . A 540 TYR HA . 36418 1
250 . 1 . 1 28 28 TYR HB2 H 1 2.553 0.009 . . . . . . A 540 TYR HB2 . 36418 1
251 . 1 . 1 28 28 TYR HB3 H 1 2.886 0.008 . . . . . . A 540 TYR HB3 . 36418 1
252 . 1 . 1 28 28 TYR C C 13 176.121 0.000 . 1 . . . . A 540 TYR C . 36418 1
253 . 1 . 1 28 28 TYR CA C 13 58.269 0.036 . 1 . . . . A 540 TYR CA . 36418 1
254 . 1 . 1 28 28 TYR CB C 13 39.593 0.108 . 1 . . . . A 540 TYR CB . 36418 1
255 . 1 . 1 28 28 TYR N N 15 114.072 0.033 . 1 . . . . A 540 TYR N . 36418 1
256 . 1 . 1 29 29 GLY H H 1 7.801 0.004 . 1 . . . . A 541 GLY H . 36418 1
257 . 1 . 1 29 29 GLY HA2 H 1 4.226 0.006 . . . . . . A 541 GLY HA2 . 36418 1
258 . 1 . 1 29 29 GLY HA3 H 1 3.705 0.011 . . . . . . A 541 GLY HA3 . 36418 1
259 . 1 . 1 29 29 GLY C C 13 173.106 0.000 . 1 . . . . A 541 GLY C . 36418 1
260 . 1 . 1 29 29 GLY CA C 13 43.791 0.038 . 1 . . . . A 541 GLY CA . 36418 1
261 . 1 . 1 29 29 GLY N N 15 109.201 0.029 . 1 . . . . A 541 GLY N . 36418 1
262 . 1 . 1 30 30 VAL H H 1 7.995 0.003 . 1 . . . . A 542 VAL H . 36418 1
263 . 1 . 1 30 30 VAL HA H 1 2.796 0.008 . 1 . . . . A 542 VAL HA . 36418 1
264 . 1 . 1 30 30 VAL HB H 1 1.909 0.008 . 1 . . . . A 542 VAL HB . 36418 1
265 . 1 . 1 30 30 VAL HG11 H 1 0.853 0.005 . . . . . . A 542 VAL HG11 . 36418 1
266 . 1 . 1 30 30 VAL HG12 H 1 0.853 0.005 . . . . . . A 542 VAL HG12 . 36418 1
267 . 1 . 1 30 30 VAL HG13 H 1 0.853 0.005 . . . . . . A 542 VAL HG13 . 36418 1
268 . 1 . 1 30 30 VAL CA C 13 63.431 0.023 . 1 . . . . A 542 VAL CA . 36418 1
269 . 1 . 1 30 30 VAL CB C 13 31.862 0.111 . 1 . . . . A 542 VAL CB . 36418 1
270 . 1 . 1 30 30 VAL CG1 C 13 21.424 0.011 . . . . . . A 542 VAL CG1 . 36418 1
271 . 1 . 1 30 30 VAL N N 15 117.319 0.031 . 1 . . . . A 542 VAL N . 36418 1
272 . 1 . 1 31 31 GLY HA2 H 1 3.235 0.009 . . . . . . A 543 GLY HA2 . 36418 1
273 . 1 . 1 31 31 GLY HA3 H 1 3.961 0.002 . . . . . . A 543 GLY HA3 . 36418 1
274 . 1 . 1 31 31 GLY C C 13 173.829 0.000 . 1 . . . . A 543 GLY C . 36418 1
275 . 1 . 1 31 31 GLY CA C 13 44.643 0.065 . 1 . . . . A 543 GLY CA . 36418 1
276 . 1 . 1 32 32 HIS H H 1 6.859 0.006 . 1 . . . . A 544 HIS H . 36418 1
277 . 1 . 1 32 32 HIS HA H 1 4.651 0.009 . 1 . . . . A 544 HIS HA . 36418 1
278 . 1 . 1 32 32 HIS HB2 H 1 2.374 0.006 . . . . . . A 544 HIS HB2 . 36418 1
279 . 1 . 1 32 32 HIS HB3 H 1 2.844 0.005 . . . . . . A 544 HIS HB3 . 36418 1
280 . 1 . 1 32 32 HIS C C 13 176.015 0.000 . 1 . . . . A 544 HIS C . 36418 1
281 . 1 . 1 32 32 HIS CA C 13 54.758 0.041 . 1 . . . . A 544 HIS CA . 36418 1
282 . 1 . 1 32 32 HIS CB C 13 28.430 0.091 . 1 . . . . A 544 HIS CB . 36418 1
283 . 1 . 1 32 32 HIS N N 15 122.420 0.023 . 1 . . . . A 544 HIS N . 36418 1
284 . 1 . 1 33 33 TRP H H 1 6.542 0.003 . 1 . . . . A 545 TRP H . 36418 1
285 . 1 . 1 33 33 TRP HA H 1 4.202 0.005 . 1 . . . . A 545 TRP HA . 36418 1
286 . 1 . 1 33 33 TRP HB2 H 1 3.564 0.007 . . . . . . A 545 TRP HB2 . 36418 1
287 . 1 . 1 33 33 TRP HB3 H 1 3.052 0.006 . . . . . . A 545 TRP HB3 . 36418 1
288 . 1 . 1 33 33 TRP C C 13 178.033 0.000 . 1 . . . . A 545 TRP C . 36418 1
289 . 1 . 1 33 33 TRP CA C 13 58.904 0.028 . 1 . . . . A 545 TRP CA . 36418 1
290 . 1 . 1 33 33 TRP CB C 13 30.317 0.055 . 1 . . . . A 545 TRP CB . 36418 1
291 . 1 . 1 33 33 TRP N N 15 118.463 0.028 . 1 . . . . A 545 TRP N . 36418 1
292 . 1 . 1 34 34 GLU H H 1 8.639 0.003 . 1 . . . . A 546 GLU H . 36418 1
293 . 1 . 1 34 34 GLU HA H 1 4.307 0.012 . 1 . . . . A 546 GLU HA . 36418 1
294 . 1 . 1 34 34 GLU HB2 H 1 1.917 0.014 . . . . . . A 546 GLU HB2 . 36418 1
295 . 1 . 1 34 34 GLU HB3 H 1 1.993 0.002 . . . . . . A 546 GLU HB3 . 36418 1
296 . 1 . 1 34 34 GLU HG2 H 1 2.307 0.006 . . . . . . A 546 GLU HG2 . 36418 1
297 . 1 . 1 34 34 GLU HG3 H 1 2.232 0.006 . . . . . . A 546 GLU HG3 . 36418 1
298 . 1 . 1 34 34 GLU C C 13 178.719 0.000 . 1 . . . . A 546 GLU C . 36418 1
299 . 1 . 1 34 34 GLU CA C 13 58.805 0.056 . 1 . . . . A 546 GLU CA . 36418 1
300 . 1 . 1 34 34 GLU CB C 13 28.390 0.065 . 1 . . . . A 546 GLU CB . 36418 1
301 . 1 . 1 34 34 GLU CG C 13 35.030 0.001 . 1 . . . . A 546 GLU CG . 36418 1
302 . 1 . 1 34 34 GLU N N 15 118.233 0.027 . 1 . . . . A 546 GLU N . 36418 1
303 . 1 . 1 35 35 ARG H H 1 7.655 0.006 . 1 . . . . A 547 ARG H . 36418 1
304 . 1 . 1 35 35 ARG HA H 1 3.817 0.005 . 1 . . . . A 547 ARG HA . 36418 1
305 . 1 . 1 35 35 ARG HB2 H 1 1.473 0.007 . . . . . . A 547 ARG HB2 . 36418 1
306 . 1 . 1 35 35 ARG HB3 H 1 1.202 0.009 . . . . . . A 547 ARG HB3 . 36418 1
307 . 1 . 1 35 35 ARG HG2 H 1 1.038 0.008 . . . . . . A 547 ARG HG2 . 36418 1
308 . 1 . 1 35 35 ARG HG3 H 1 1.038 0.008 . . . . . . A 547 ARG HG3 . 36418 1
309 . 1 . 1 35 35 ARG HD2 H 1 2.745 0.008 . . . . . . A 547 ARG HD2 . 36418 1
310 . 1 . 1 35 35 ARG HD3 H 1 2.675 0.014 . . . . . . A 547 ARG HD3 . 36418 1
311 . 1 . 1 35 35 ARG C C 13 179.081 0.000 . 1 . . . . A 547 ARG C . 36418 1
312 . 1 . 1 35 35 ARG CA C 13 58.506 0.054 . 1 . . . . A 547 ARG CA . 36418 1
313 . 1 . 1 35 35 ARG CB C 13 29.269 0.052 . 1 . . . . A 547 ARG CB . 36418 1
314 . 1 . 1 35 35 ARG CG C 13 26.440 0.044 . 1 . . . . A 547 ARG CG . 36418 1
315 . 1 . 1 35 35 ARG CD C 13 43.049 0.027 . 1 . . . . A 547 ARG CD . 36418 1
316 . 1 . 1 35 35 ARG N N 15 120.627 0.046 . 1 . . . . A 547 ARG N . 36418 1
317 . 1 . 1 36 36 ILE H H 1 7.689 0.005 . 1 . . . . A 548 ILE H . 36418 1
318 . 1 . 1 36 36 ILE HA H 1 3.611 0.007 . 1 . . . . A 548 ILE HA . 36418 1
319 . 1 . 1 36 36 ILE HB H 1 1.917 0.013 . 1 . . . . A 548 ILE HB . 36418 1
320 . 1 . 1 36 36 ILE HG12 H 1 0.836 0.010 . . . . . . A 548 ILE HG12 . 36418 1
321 . 1 . 1 36 36 ILE HG13 H 1 0.836 0.010 . . . . . . A 548 ILE HG13 . 36418 1
322 . 1 . 1 36 36 ILE HG21 H 1 1.326 0.008 . 1 . . . . A 548 ILE HG21 . 36418 1
323 . 1 . 1 36 36 ILE HG22 H 1 1.326 0.008 . 1 . . . . A 548 ILE HG22 . 36418 1
324 . 1 . 1 36 36 ILE HG23 H 1 1.326 0.008 . 1 . . . . A 548 ILE HG23 . 36418 1
325 . 1 . 1 36 36 ILE HD11 H 1 0.585 0.005 . 1 . . . . A 548 ILE HD11 . 36418 1
326 . 1 . 1 36 36 ILE HD12 H 1 0.585 0.005 . 1 . . . . A 548 ILE HD12 . 36418 1
327 . 1 . 1 36 36 ILE HD13 H 1 0.585 0.005 . 1 . . . . A 548 ILE HD13 . 36418 1
328 . 1 . 1 36 36 ILE C C 13 177.287 0.000 . 1 . . . . A 548 ILE C . 36418 1
329 . 1 . 1 36 36 ILE CA C 13 66.682 0.036 . 1 . . . . A 548 ILE CA . 36418 1
330 . 1 . 1 36 36 ILE CB C 13 38.546 0.061 . 1 . . . . A 548 ILE CB . 36418 1
331 . 1 . 1 36 36 ILE CG1 C 13 31.107 0.023 . 1 . . . . A 548 ILE CG1 . 36418 1
332 . 1 . 1 36 36 ILE CG2 C 13 18.534 0.027 . 1 . . . . A 548 ILE CG2 . 36418 1
333 . 1 . 1 36 36 ILE CD1 C 13 14.134 0.021 . 1 . . . . A 548 ILE CD1 . 36418 1
334 . 1 . 1 36 36 ILE N N 15 118.334 0.033 . 1 . . . . A 548 ILE N . 36418 1
335 . 1 . 1 37 37 ARG H H 1 8.323 0.003 . 1 . . . . A 549 ARG H . 36418 1
336 . 1 . 1 37 37 ARG HA H 1 4.093 0.006 . 1 . . . . A 549 ARG HA . 36418 1
337 . 1 . 1 37 37 ARG HB2 H 1 2.124 0.006 . . . . . . A 549 ARG HB2 . 36418 1
338 . 1 . 1 37 37 ARG HB3 H 1 1.764 0.014 . . . . . . A 549 ARG HB3 . 36418 1
339 . 1 . 1 37 37 ARG HG2 H 1 1.444 0.004 . . . . . . A 549 ARG HG2 . 36418 1
340 . 1 . 1 37 37 ARG HG3 H 1 1.444 0.004 . . . . . . A 549 ARG HG3 . 36418 1
341 . 1 . 1 37 37 ARG HD2 H 1 3.366 0.005 . . . . . . A 549 ARG HD2 . 36418 1
342 . 1 . 1 37 37 ARG HD3 H 1 2.962 0.009 . . . . . . A 549 ARG HD3 . 36418 1
343 . 1 . 1 37 37 ARG C C 13 176.913 0.000 . 1 . . . . A 549 ARG C . 36418 1
344 . 1 . 1 37 37 ARG CA C 13 59.468 0.022 . 1 . . . . A 549 ARG CA . 36418 1
345 . 1 . 1 37 37 ARG CB C 13 30.168 0.078 . 1 . . . . A 549 ARG CB . 36418 1
346 . 1 . 1 37 37 ARG CG C 13 27.098 0.066 . 1 . . . . A 549 ARG CG . 36418 1
347 . 1 . 1 37 37 ARG CD C 13 43.297 0.023 . 1 . . . . A 549 ARG CD . 36418 1
348 . 1 . 1 37 37 ARG N N 15 118.820 0.028 . 1 . . . . A 549 ARG N . 36418 1
349 . 1 . 1 38 38 SER H H 1 7.543 0.003 . 1 . . . . A 550 SER H . 36418 1
350 . 1 . 1 38 38 SER HA H 1 4.367 0.005 . 1 . . . . A 550 SER HA . 36418 1
351 . 1 . 1 38 38 SER HB2 H 1 3.870 0.007 . . . . . . A 550 SER HB2 . 36418 1
352 . 1 . 1 38 38 SER HB3 H 1 3.870 0.007 . . . . . . A 550 SER HB3 . 36418 1
353 . 1 . 1 38 38 SER C C 13 174.890 0.000 . 1 . . . . A 550 SER C . 36418 1
354 . 1 . 1 38 38 SER CA C 13 59.665 0.082 . 1 . . . . A 550 SER CA . 36418 1
355 . 1 . 1 38 38 SER CB C 13 63.958 0.067 . 1 . . . . A 550 SER CB . 36418 1
356 . 1 . 1 38 38 SER N N 15 107.916 0.026 . 1 . . . . A 550 SER N . 36418 1
357 . 1 . 1 39 39 ALA H H 1 7.733 0.002 . 1 . . . . A 551 ALA H . 36418 1
358 . 1 . 1 39 39 ALA HA H 1 4.082 0.006 . 1 . . . . A 551 ALA HA . 36418 1
359 . 1 . 1 39 39 ALA HB1 H 1 1.269 0.004 . 1 . . . . A 551 ALA HB1 . 36418 1
360 . 1 . 1 39 39 ALA HB2 H 1 1.269 0.004 . 1 . . . . A 551 ALA HB2 . 36418 1
361 . 1 . 1 39 39 ALA HB3 H 1 1.269 0.004 . 1 . . . . A 551 ALA HB3 . 36418 1
362 . 1 . 1 39 39 ALA C C 13 175.805 0.000 . 1 . . . . A 551 ALA C . 36418 1
363 . 1 . 1 39 39 ALA CA C 13 52.895 0.010 . 1 . . . . A 551 ALA CA . 36418 1
364 . 1 . 1 39 39 ALA CB C 13 20.964 0.052 . 1 . . . . A 551 ALA CB . 36418 1
365 . 1 . 1 39 39 ALA N N 15 123.461 0.027 . 1 . . . . A 551 ALA N . 36418 1
366 . 1 . 1 40 40 PHE H H 1 7.319 0.004 . 1 . . . . A 552 PHE H . 36418 1
367 . 1 . 1 40 40 PHE HA H 1 4.342 0.007 . 1 . . . . A 552 PHE HA . 36418 1
368 . 1 . 1 40 40 PHE HB2 H 1 2.154 0.004 . . . . . . A 552 PHE HB2 . 36418 1
369 . 1 . 1 40 40 PHE HB3 H 1 1.499 0.008 . . . . . . A 552 PHE HB3 . 36418 1
370 . 1 . 1 40 40 PHE CA C 13 54.488 0.019 . 1 . . . . A 552 PHE CA . 36418 1
371 . 1 . 1 40 40 PHE CB C 13 40.362 0.051 . 1 . . . . A 552 PHE CB . 36418 1
372 . 1 . 1 40 40 PHE N N 15 115.395 0.028 . 1 . . . . A 552 PHE N . 36418 1
373 . 1 . 1 41 41 PRO HA H 1 4.552 0.007 . 1 . . . . A 553 PRO HA . 36418 1
374 . 1 . 1 41 41 PRO HB2 H 1 2.039 0.008 . . . . . . A 553 PRO HB2 . 36418 1
375 . 1 . 1 41 41 PRO HB3 H 1 1.671 0.005 . . . . . . A 553 PRO HB3 . 36418 1
376 . 1 . 1 41 41 PRO HG2 H 1 1.444 0.007 . . . . . . A 553 PRO HG2 . 36418 1
377 . 1 . 1 41 41 PRO HG3 H 1 1.373 0.007 . . . . . . A 553 PRO HG3 . 36418 1
378 . 1 . 1 41 41 PRO HD2 H 1 2.945 0.006 . . . . . . A 553 PRO HD2 . 36418 1
379 . 1 . 1 41 41 PRO HD3 H 1 1.163 0.006 . . . . . . A 553 PRO HD3 . 36418 1
380 . 1 . 1 41 41 PRO C C 13 176.084 0.000 . 1 . . . . A 553 PRO C . 36418 1
381 . 1 . 1 41 41 PRO CA C 13 62.110 0.037 . 1 . . . . A 553 PRO CA . 36418 1
382 . 1 . 1 41 41 PRO CB C 13 27.317 0.049 . 1 . . . . A 553 PRO CB . 36418 1
383 . 1 . 1 41 41 PRO CG C 13 26.820 0.009 . 1 . . . . A 553 PRO CG . 36418 1
384 . 1 . 1 41 41 PRO CD C 13 49.122 0.024 . 1 . . . . A 553 PRO CD . 36418 1
385 . 1 . 1 42 42 PHE H H 1 8.420 0.002 . 1 . . . . A 554 PHE H . 36418 1
386 . 1 . 1 42 42 PHE HA H 1 4.672 0.005 . 1 . . . . A 554 PHE HA . 36418 1
387 . 1 . 1 42 42 PHE HB2 H 1 3.134 0.002 . . . . . . A 554 PHE HB2 . 36418 1
388 . 1 . 1 42 42 PHE HB3 H 1 3.040 0.003 . . . . . . A 554 PHE HB3 . 36418 1
389 . 1 . 1 42 42 PHE C C 13 176.263 0.000 . 1 . . . . A 554 PHE C . 36418 1
390 . 1 . 1 42 42 PHE CA C 13 59.844 0.020 . 1 . . . . A 554 PHE CA . 36418 1
391 . 1 . 1 42 42 PHE CB C 13 39.881 0.089 . 1 . . . . A 554 PHE CB . 36418 1
392 . 1 . 1 42 42 PHE N N 15 123.093 0.024 . 1 . . . . A 554 PHE N . 36418 1
393 . 1 . 1 43 43 ALA H H 1 8.989 0.004 . 1 . . . . A 555 ALA H . 36418 1
394 . 1 . 1 43 43 ALA HA H 1 4.437 0.009 . 1 . . . . A 555 ALA HA . 36418 1
395 . 1 . 1 43 43 ALA HB1 H 1 1.294 0.005 . 1 . . . . A 555 ALA HB1 . 36418 1
396 . 1 . 1 43 43 ALA HB2 H 1 1.294 0.005 . 1 . . . . A 555 ALA HB2 . 36418 1
397 . 1 . 1 43 43 ALA HB3 H 1 1.294 0.005 . 1 . . . . A 555 ALA HB3 . 36418 1
398 . 1 . 1 43 43 ALA CA C 13 52.022 0.051 . 1 . . . . A 555 ALA CA . 36418 1
399 . 1 . 1 43 43 ALA CB C 13 18.657 0.031 . 1 . . . . A 555 ALA CB . 36418 1
400 . 1 . 1 43 43 ALA N N 15 126.237 0.039 . 1 . . . . A 555 ALA N . 36418 1
401 . 1 . 1 44 44 GLY HA2 H 1 3.836 0.008 . . . . . . A 556 GLY HA2 . 36418 1
402 . 1 . 1 44 44 GLY HA3 H 1 3.729 0.010 . . . . . . A 556 GLY HA3 . 36418 1
403 . 1 . 1 44 44 GLY C C 13 174.293 0.000 . 1 . . . . A 556 GLY C . 36418 1
404 . 1 . 1 44 44 GLY CA C 13 46.359 0.032 . 1 . . . . A 556 GLY CA . 36418 1
405 . 1 . 1 45 45 ARG H H 1 7.398 0.005 . 1 . . . . A 557 ARG H . 36418 1
406 . 1 . 1 45 45 ARG HA H 1 4.833 0.009 . 1 . . . . A 557 ARG HA . 36418 1
407 . 1 . 1 45 45 ARG HB2 H 1 1.614 0.007 . . . . . . A 557 ARG HB2 . 36418 1
408 . 1 . 1 45 45 ARG HB3 H 1 1.614 0.007 . . . . . . A 557 ARG HB3 . 36418 1
409 . 1 . 1 45 45 ARG HG2 H 1 1.309 0.001 . . . . . . A 557 ARG HG2 . 36418 1
410 . 1 . 1 45 45 ARG HG3 H 1 1.309 0.001 . . . . . . A 557 ARG HG3 . 36418 1
411 . 1 . 1 45 45 ARG HD2 H 1 2.843 0.007 . . . . . . A 557 ARG HD2 . 36418 1
412 . 1 . 1 45 45 ARG HD3 H 1 2.347 0.008 . . . . . . A 557 ARG HD3 . 36418 1
413 . 1 . 1 45 45 ARG C C 13 176.375 0.000 . 1 . . . . A 557 ARG C . 36418 1
414 . 1 . 1 45 45 ARG CA C 13 52.497 0.026 . 1 . . . . A 557 ARG CA . 36418 1
415 . 1 . 1 45 45 ARG CB C 13 31.832 0.059 . 1 . . . . A 557 ARG CB . 36418 1
416 . 1 . 1 45 45 ARG CD C 13 42.611 0.018 . 1 . . . . A 557 ARG CD . 36418 1
417 . 1 . 1 45 45 ARG N N 15 114.768 0.041 . 1 . . . . A 557 ARG N . 36418 1
418 . 1 . 1 46 46 THR H H 1 8.563 0.003 . 1 . . . . A 558 THR H . 36418 1
419 . 1 . 1 46 46 THR HA H 1 4.365 0.005 . 1 . . . . A 558 THR HA . 36418 1
420 . 1 . 1 46 46 THR HB H 1 4.612 0.009 . 1 . . . . A 558 THR HB . 36418 1
421 . 1 . 1 46 46 THR HG21 H 1 1.206 0.006 . 1 . . . . A 558 THR HG21 . 36418 1
422 . 1 . 1 46 46 THR HG22 H 1 1.206 0.006 . 1 . . . . A 558 THR HG22 . 36418 1
423 . 1 . 1 46 46 THR HG23 H 1 1.206 0.006 . 1 . . . . A 558 THR HG23 . 36418 1
424 . 1 . 1 46 46 THR C C 13 175.072 0.000 . 1 . . . . A 558 THR C . 36418 1
425 . 1 . 1 46 46 THR CA C 13 59.999 0.043 . 1 . . . . A 558 THR CA . 36418 1
426 . 1 . 1 46 46 THR CB C 13 71.240 0.039 . 1 . . . . A 558 THR CB . 36418 1
427 . 1 . 1 46 46 THR CG2 C 13 21.627 0.030 . 1 . . . . A 558 THR CG2 . 36418 1
428 . 1 . 1 46 46 THR N N 15 113.219 0.024 . 1 . . . . A 558 THR N . 36418 1
429 . 1 . 1 47 47 ALA H H 1 9.289 0.002 . 1 . . . . A 559 ALA H . 36418 1
430 . 1 . 1 47 47 ALA HA H 1 3.839 0.004 . 1 . . . . A 559 ALA HA . 36418 1
431 . 1 . 1 47 47 ALA HB1 H 1 1.466 0.003 . 1 . . . . A 559 ALA HB1 . 36418 1
432 . 1 . 1 47 47 ALA HB2 H 1 1.466 0.003 . 1 . . . . A 559 ALA HB2 . 36418 1
433 . 1 . 1 47 47 ALA HB3 H 1 1.466 0.003 . 1 . . . . A 559 ALA HB3 . 36418 1
434 . 1 . 1 47 47 ALA C C 13 179.345 0.000 . 1 . . . . A 559 ALA C . 36418 1
435 . 1 . 1 47 47 ALA CA C 13 56.219 0.032 . 1 . . . . A 559 ALA CA . 36418 1
436 . 1 . 1 47 47 ALA CB C 13 17.698 0.063 . 1 . . . . A 559 ALA CB . 36418 1
437 . 1 . 1 47 47 ALA N N 15 122.690 0.019 . 1 . . . . A 559 ALA N . 36418 1
438 . 1 . 1 48 48 VAL H H 1 7.693 0.005 . 1 . . . . A 560 VAL H . 36418 1
439 . 1 . 1 48 48 VAL HA H 1 3.444 0.004 . 1 . . . . A 560 VAL HA . 36418 1
440 . 1 . 1 48 48 VAL HB H 1 1.839 0.005 . 1 . . . . A 560 VAL HB . 36418 1
441 . 1 . 1 48 48 VAL HG11 H 1 0.835 0.005 . . . . . . A 560 VAL HG11 . 36418 1
442 . 1 . 1 48 48 VAL HG12 H 1 0.835 0.005 . . . . . . A 560 VAL HG12 . 36418 1
443 . 1 . 1 48 48 VAL HG13 H 1 0.835 0.005 . . . . . . A 560 VAL HG13 . 36418 1
444 . 1 . 1 48 48 VAL HG21 H 1 0.951 0.003 . . . . . . A 560 VAL HG21 . 36418 1
445 . 1 . 1 48 48 VAL HG22 H 1 0.951 0.003 . . . . . . A 560 VAL HG22 . 36418 1
446 . 1 . 1 48 48 VAL HG23 H 1 0.951 0.003 . . . . . . A 560 VAL HG23 . 36418 1
447 . 1 . 1 48 48 VAL C C 13 176.911 0.000 . 1 . . . . A 560 VAL C . 36418 1
448 . 1 . 1 48 48 VAL CA C 13 65.797 0.042 . 1 . . . . A 560 VAL CA . 36418 1
449 . 1 . 1 48 48 VAL CB C 13 31.634 0.062 . 1 . . . . A 560 VAL CB . 36418 1
450 . 1 . 1 48 48 VAL CG1 C 13 21.149 0.059 . . . . . . A 560 VAL CG1 . 36418 1
451 . 1 . 1 48 48 VAL CG2 C 13 22.793 0.012 . . . . . . A 560 VAL CG2 . 36418 1
452 . 1 . 1 48 48 VAL N N 15 116.161 0.025 . 1 . . . . A 560 VAL N . 36418 1
453 . 1 . 1 49 49 ASN H H 1 7.668 0.007 . 1 . . . . A 561 ASN H . 36418 1
454 . 1 . 1 49 49 ASN HA H 1 4.544 0.004 . 1 . . . . A 561 ASN HA . 36418 1
455 . 1 . 1 49 49 ASN HB2 H 1 3.268 0.005 . . . . . . A 561 ASN HB2 . 36418 1
456 . 1 . 1 49 49 ASN HB3 H 1 3.063 0.009 . . . . . . A 561 ASN HB3 . 36418 1
457 . 1 . 1 49 49 ASN C C 13 178.334 0.000 . 1 . . . . A 561 ASN C . 36418 1
458 . 1 . 1 49 49 ASN CA C 13 56.085 0.062 . 1 . . . . A 561 ASN CA . 36418 1
459 . 1 . 1 49 49 ASN CB C 13 39.685 0.034 . 1 . . . . A 561 ASN CB . 36418 1
460 . 1 . 1 49 49 ASN N N 15 117.895 0.044 . 1 . . . . A 561 ASN N . 36418 1
461 . 1 . 1 50 50 LEU H H 1 7.666 0.003 . 1 . . . . A 562 LEU H . 36418 1
462 . 1 . 1 50 50 LEU HA H 1 3.774 0.010 . 1 . . . . A 562 LEU HA . 36418 1
463 . 1 . 1 50 50 LEU HB2 H 1 1.974 0.009 . . . . . . A 562 LEU HB2 . 36418 1
464 . 1 . 1 50 50 LEU HB3 H 1 1.475 0.006 . . . . . . A 562 LEU HB3 . 36418 1
465 . 1 . 1 50 50 LEU HG H 1 1.695 0.011 . 1 . . . . A 562 LEU HG . 36418 1
466 . 1 . 1 50 50 LEU HD11 H 1 0.419 0.008 . . . . . . A 562 LEU HD11 . 36418 1
467 . 1 . 1 50 50 LEU HD12 H 1 0.419 0.008 . . . . . . A 562 LEU HD12 . 36418 1
468 . 1 . 1 50 50 LEU HD13 H 1 0.419 0.008 . . . . . . A 562 LEU HD13 . 36418 1
469 . 1 . 1 50 50 LEU HD21 H 1 0.590 0.007 . . . . . . A 562 LEU HD21 . 36418 1
470 . 1 . 1 50 50 LEU HD22 H 1 0.590 0.007 . . . . . . A 562 LEU HD22 . 36418 1
471 . 1 . 1 50 50 LEU HD23 H 1 0.590 0.007 . . . . . . A 562 LEU HD23 . 36418 1
472 . 1 . 1 50 50 LEU C C 13 176.089 0.000 . 1 . . . . A 562 LEU C . 36418 1
473 . 1 . 1 50 50 LEU CA C 13 58.953 0.086 . 1 . . . . A 562 LEU CA . 36418 1
474 . 1 . 1 50 50 LEU CB C 13 41.169 0.038 . 1 . . . . A 562 LEU CB . 36418 1
475 . 1 . 1 50 50 LEU CG C 13 28.643 0.023 . 1 . . . . A 562 LEU CG . 36418 1
476 . 1 . 1 50 50 LEU CD1 C 13 24.426 0.026 . . . . . . A 562 LEU CD1 . 36418 1
477 . 1 . 1 50 50 LEU CD2 C 13 25.260 0.051 . . . . . . A 562 LEU CD2 . 36418 1
478 . 1 . 1 50 50 LEU N N 15 120.221 0.030 . 1 . . . . A 562 LEU N . 36418 1
479 . 1 . 1 51 51 LYS H H 1 7.022 0.005 . 1 . . . . A 563 LYS H . 36418 1
480 . 1 . 1 51 51 LYS HA H 1 1.760 0.006 . 1 . . . . A 563 LYS HA . 36418 1
481 . 1 . 1 51 51 LYS HB2 H 1 1.308 0.011 . . . . . . A 563 LYS HB2 . 36418 1
482 . 1 . 1 51 51 LYS HB3 H 1 0.073 0.008 . . . . . . A 563 LYS HB3 . 36418 1
483 . 1 . 1 51 51 LYS HG2 H 1 1.067 0.006 . . . . . . A 563 LYS HG2 . 36418 1
484 . 1 . 1 51 51 LYS HG3 H 1 0.911 0.006 . . . . . . A 563 LYS HG3 . 36418 1
485 . 1 . 1 51 51 LYS HD2 H 1 1.585 0.006 . . . . . . A 563 LYS HD2 . 36418 1
486 . 1 . 1 51 51 LYS HD3 H 1 1.471 0.004 . . . . . . A 563 LYS HD3 . 36418 1
487 . 1 . 1 51 51 LYS HE2 H 1 2.878 0.006 . . . . . . A 563 LYS HE2 . 36418 1
488 . 1 . 1 51 51 LYS HE3 H 1 2.878 0.006 . . . . . . A 563 LYS HE3 . 36418 1
489 . 1 . 1 51 51 LYS C C 13 178.525 0.000 . 1 . . . . A 563 LYS C . 36418 1
490 . 1 . 1 51 51 LYS CA C 13 58.831 0.031 . 1 . . . . A 563 LYS CA . 36418 1
491 . 1 . 1 51 51 LYS CB C 13 31.004 0.066 . 1 . . . . A 563 LYS CB . 36418 1
492 . 1 . 1 51 51 LYS CG C 13 24.216 0.020 . 1 . . . . A 563 LYS CG . 36418 1
493 . 1 . 1 51 51 LYS CD C 13 29.588 0.097 . 1 . . . . A 563 LYS CD . 36418 1
494 . 1 . 1 51 51 LYS CE C 13 41.650 0.000 . 1 . . . . A 563 LYS CE . 36418 1
495 . 1 . 1 51 51 LYS N N 15 120.661 0.028 . 1 . . . . A 563 LYS N . 36418 1
496 . 1 . 1 52 52 ASP H H 1 8.162 0.003 . 1 . . . . A 564 ASP H . 36418 1
497 . 1 . 1 52 52 ASP HA H 1 4.159 0.005 . 1 . . . . A 564 ASP HA . 36418 1
498 . 1 . 1 52 52 ASP HB2 H 1 2.490 0.008 . . . . . . A 564 ASP HB2 . 36418 1
499 . 1 . 1 52 52 ASP HB3 H 1 2.490 0.008 . . . . . . A 564 ASP HB3 . 36418 1
500 . 1 . 1 52 52 ASP C C 13 178.917 0.000 . 1 . . . . A 564 ASP C . 36418 1
501 . 1 . 1 52 52 ASP CA C 13 56.945 0.055 . 1 . . . . A 564 ASP CA . 36418 1
502 . 1 . 1 52 52 ASP CB C 13 40.045 0.052 . 1 . . . . A 564 ASP CB . 36418 1
503 . 1 . 1 52 52 ASP N N 15 118.442 0.030 . 1 . . . . A 564 ASP N . 36418 1
504 . 1 . 1 53 53 ARG H H 1 7.858 0.003 . 1 . . . . A 565 ARG H . 36418 1
505 . 1 . 1 53 53 ARG HA H 1 3.674 0.007 . 1 . . . . A 565 ARG HA . 36418 1
506 . 1 . 1 53 53 ARG HB2 H 1 1.298 0.006 . . . . . . A 565 ARG HB2 . 36418 1
507 . 1 . 1 53 53 ARG HB3 H 1 0.841 0.008 . . . . . . A 565 ARG HB3 . 36418 1
508 . 1 . 1 53 53 ARG HG2 H 1 0.516 0.010 . . . . . . A 565 ARG HG2 . 36418 1
509 . 1 . 1 53 53 ARG HG3 H 1 0.516 0.010 . . . . . . A 565 ARG HG3 . 36418 1
510 . 1 . 1 53 53 ARG HD2 H 1 2.504 0.008 . . . . . . A 565 ARG HD2 . 36418 1
511 . 1 . 1 53 53 ARG HD3 H 1 2.504 0.008 . . . . . . A 565 ARG HD3 . 36418 1
512 . 1 . 1 53 53 ARG C C 13 177.761 0.000 . 1 . . . . A 565 ARG C . 36418 1
513 . 1 . 1 53 53 ARG CA C 13 56.984 0.030 . 1 . . . . A 565 ARG CA . 36418 1
514 . 1 . 1 53 53 ARG CB C 13 28.686 0.024 . 1 . . . . A 565 ARG CB . 36418 1
515 . 1 . 1 53 53 ARG CG C 13 24.963 0.053 . 1 . . . . A 565 ARG CG . 36418 1
516 . 1 . 1 53 53 ARG CD C 13 42.533 0.026 . 1 . . . . A 565 ARG CD . 36418 1
517 . 1 . 1 53 53 ARG N N 15 121.869 0.030 . 1 . . . . A 565 ARG N . 36418 1
518 . 1 . 1 54 54 TRP H H 1 8.381 0.002 . 1 . . . . A 566 TRP H . 36418 1
519 . 1 . 1 54 54 TRP HA H 1 4.206 0.009 . 1 . . . . A 566 TRP HA . 36418 1
520 . 1 . 1 54 54 TRP HB2 H 1 3.089 0.008 . . . . . . A 566 TRP HB2 . 36418 1
521 . 1 . 1 54 54 TRP HB3 H 1 3.089 0.008 . . . . . . A 566 TRP HB3 . 36418 1
522 . 1 . 1 54 54 TRP HE1 H 1 10.132 0.001 . 1 . . . . A 566 TRP HE1 . 36418 1
523 . 1 . 1 54 54 TRP C C 13 176.665 0.000 . 1 . . . . A 566 TRP C . 36418 1
524 . 1 . 1 54 54 TRP CA C 13 60.123 0.018 . 1 . . . . A 566 TRP CA . 36418 1
525 . 1 . 1 54 54 TRP CB C 13 30.067 0.077 . 1 . . . . A 566 TRP CB . 36418 1
526 . 1 . 1 54 54 TRP N N 15 121.831 0.026 . 1 . . . . A 566 TRP N . 36418 1
527 . 1 . 1 54 54 TRP NE1 N 15 128.986 0.014 . 1 . . . . A 566 TRP NE1 . 36418 1
528 . 1 . 1 55 55 ARG H H 1 7.621 0.005 . 1 . . . . A 567 ARG H . 36418 1
529 . 1 . 1 55 55 ARG HA H 1 3.703 0.008 . 1 . . . . A 567 ARG HA . 36418 1
530 . 1 . 1 55 55 ARG HB2 H 1 1.890 0.004 . . . . . . A 567 ARG HB2 . 36418 1
531 . 1 . 1 55 55 ARG HB3 H 1 1.890 0.004 . . . . . . A 567 ARG HB3 . 36418 1
532 . 1 . 1 55 55 ARG HG2 H 1 1.785 0.003 . . . . . . A 567 ARG HG2 . 36418 1
533 . 1 . 1 55 55 ARG HG3 H 1 1.582 0.005 . . . . . . A 567 ARG HG3 . 36418 1
534 . 1 . 1 55 55 ARG HD2 H 1 3.175 0.005 . . . . . . A 567 ARG HD2 . 36418 1
535 . 1 . 1 55 55 ARG HD3 H 1 3.175 0.005 . . . . . . A 567 ARG HD3 . 36418 1
536 . 1 . 1 55 55 ARG C C 13 179.551 0.000 . 1 . . . . A 567 ARG C . 36418 1
537 . 1 . 1 55 55 ARG CA C 13 59.539 0.024 . 1 . . . . A 567 ARG CA . 36418 1
538 . 1 . 1 55 55 ARG CB C 13 29.442 0.059 . 1 . . . . A 567 ARG CB . 36418 1
539 . 1 . 1 55 55 ARG CG C 13 27.456 0.028 . 1 . . . . A 567 ARG CG . 36418 1
540 . 1 . 1 55 55 ARG CD C 13 43.315 0.049 . 1 . . . . A 567 ARG CD . 36418 1
541 . 1 . 1 55 55 ARG N N 15 115.485 0.023 . 1 . . . . A 567 ARG N . 36418 1
542 . 1 . 1 56 56 THR H H 1 7.622 0.003 . 1 . . . . A 568 THR H . 36418 1
543 . 1 . 1 56 56 THR HA H 1 3.690 0.003 . 1 . . . . A 568 THR HA . 36418 1
544 . 1 . 1 56 56 THR HB H 1 4.062 0.004 . 1 . . . . A 568 THR HB . 36418 1
545 . 1 . 1 56 56 THR HG21 H 1 1.011 0.002 . 1 . . . . A 568 THR HG21 . 36418 1
546 . 1 . 1 56 56 THR HG22 H 1 1.011 0.002 . 1 . . . . A 568 THR HG22 . 36418 1
547 . 1 . 1 56 56 THR HG23 H 1 1.011 0.002 . 1 . . . . A 568 THR HG23 . 36418 1
548 . 1 . 1 56 56 THR C C 13 174.908 0.000 . 1 . . . . A 568 THR C . 36418 1
549 . 1 . 1 56 56 THR CA C 13 66.814 0.144 . 1 . . . . A 568 THR CA . 36418 1
550 . 1 . 1 56 56 THR CB C 13 68.718 0.112 . 1 . . . . A 568 THR CB . 36418 1
551 . 1 . 1 56 56 THR CG2 C 13 21.636 0.064 . 1 . . . . A 568 THR CG2 . 36418 1
552 . 1 . 1 56 56 THR N N 15 117.172 0.037 . 1 . . . . A 568 THR N . 36418 1
553 . 1 . 1 57 57 MET H H 1 8.277 0.002 . 1 . . . . A 569 MET H . 36418 1
554 . 1 . 1 57 57 MET HA H 1 3.601 0.005 . 1 . . . . A 569 MET HA . 36418 1
555 . 1 . 1 57 57 MET HB2 H 1 1.655 0.007 . . . . . . A 569 MET HB2 . 36418 1
556 . 1 . 1 57 57 MET HB3 H 1 1.550 0.006 . . . . . . A 569 MET HB3 . 36418 1
557 . 1 . 1 57 57 MET HG2 H 1 2.256 0.009 . . . . . . A 569 MET HG2 . 36418 1
558 . 1 . 1 57 57 MET HG3 H 1 2.256 0.009 . . . . . . A 569 MET HG3 . 36418 1
559 . 1 . 1 57 57 MET C C 13 177.978 0.000 . 1 . . . . A 569 MET C . 36418 1
560 . 1 . 1 57 57 MET CA C 13 60.015 0.015 . 1 . . . . A 569 MET CA . 36418 1
561 . 1 . 1 57 57 MET CB C 13 32.745 0.013 . 1 . . . . A 569 MET CB . 36418 1
562 . 1 . 1 57 57 MET CG C 13 31.206 0.036 . 1 . . . . A 569 MET CG . 36418 1
563 . 1 . 1 57 57 MET N N 15 121.023 0.023 . 1 . . . . A 569 MET N . 36418 1
564 . 1 . 1 58 58 VAL H H 1 8.059 0.005 . 1 . . . . A 570 VAL H . 36418 1
565 . 1 . 1 58 58 VAL HA H 1 3.251 0.006 . 1 . . . . A 570 VAL HA . 36418 1
566 . 1 . 1 58 58 VAL HB H 1 1.729 0.005 . 1 . . . . A 570 VAL HB . 36418 1
567 . 1 . 1 58 58 VAL HG11 H 1 0.220 0.005 . . . . . . A 570 VAL HG11 . 36418 1
568 . 1 . 1 58 58 VAL HG12 H 1 0.220 0.005 . . . . . . A 570 VAL HG12 . 36418 1
569 . 1 . 1 58 58 VAL HG13 H 1 0.220 0.005 . . . . . . A 570 VAL HG13 . 36418 1
570 . 1 . 1 58 58 VAL HG21 H 1 0.694 0.005 . . . . . . A 570 VAL HG21 . 36418 1
571 . 1 . 1 58 58 VAL HG22 H 1 0.694 0.005 . . . . . . A 570 VAL HG22 . 36418 1
572 . 1 . 1 58 58 VAL HG23 H 1 0.694 0.005 . . . . . . A 570 VAL HG23 . 36418 1
573 . 1 . 1 58 58 VAL C C 13 180.422 0.000 . 1 . . . . A 570 VAL C . 36418 1
574 . 1 . 1 58 58 VAL CA C 13 65.995 0.020 . 1 . . . . A 570 VAL CA . 36418 1
575 . 1 . 1 58 58 VAL CB C 13 31.868 0.058 . 1 . . . . A 570 VAL CB . 36418 1
576 . 1 . 1 58 58 VAL CG1 C 13 22.179 0.030 . . . . . . A 570 VAL CG1 . 36418 1
577 . 1 . 1 58 58 VAL CG2 C 13 20.887 0.024 . . . . . . A 570 VAL CG2 . 36418 1
578 . 1 . 1 58 58 VAL N N 15 119.519 0.022 . 1 . . . . A 570 VAL N . 36418 1
579 . 1 . 1 59 59 LYS H H 1 7.758 0.003 . 1 . . . . A 571 LYS H . 36418 1
580 . 1 . 1 59 59 LYS HA H 1 3.899 0.012 . 1 . . . . A 571 LYS HA . 36418 1
581 . 1 . 1 59 59 LYS HB2 H 1 1.857 0.006 . . . . . . A 571 LYS HB2 . 36418 1
582 . 1 . 1 59 59 LYS HB3 H 1 1.857 0.006 . . . . . . A 571 LYS HB3 . 36418 1
583 . 1 . 1 59 59 LYS HG2 H 1 1.421 0.002 . . . . . . A 571 LYS HG2 . 36418 1
584 . 1 . 1 59 59 LYS HG3 H 1 1.331 0.003 . . . . . . A 571 LYS HG3 . 36418 1
585 . 1 . 1 59 59 LYS HD2 H 1 1.583 0.009 . . . . . . A 571 LYS HD2 . 36418 1
586 . 1 . 1 59 59 LYS HD3 H 1 1.583 0.009 . . . . . . A 571 LYS HD3 . 36418 1
587 . 1 . 1 59 59 LYS HE2 H 1 2.865 0.021 . . . . . . A 571 LYS HE2 . 36418 1
588 . 1 . 1 59 59 LYS HE3 H 1 2.865 0.021 . . . . . . A 571 LYS HE3 . 36418 1
589 . 1 . 1 59 59 LYS C C 13 178.335 0.000 . 1 . . . . A 571 LYS C . 36418 1
590 . 1 . 1 59 59 LYS CA C 13 59.173 0.042 . 1 . . . . A 571 LYS CA . 36418 1
591 . 1 . 1 59 59 LYS CB C 13 32.064 0.049 . 1 . . . . A 571 LYS CB . 36418 1
592 . 1 . 1 59 59 LYS CG C 13 24.899 0.045 . 1 . . . . A 571 LYS CG . 36418 1
593 . 1 . 1 59 59 LYS CD C 13 29.048 0.088 . 1 . . . . A 571 LYS CD . 36418 1
594 . 1 . 1 59 59 LYS CE C 13 41.930 0.001 . 1 . . . . A 571 LYS CE . 36418 1
595 . 1 . 1 59 59 LYS N N 15 122.973 0.027 . 1 . . . . A 571 LYS N . 36418 1
596 . 1 . 1 60 60 LEU H H 1 7.940 0.004 . 1 . . . . A 572 LEU H . 36418 1
597 . 1 . 1 60 60 LEU HA H 1 4.148 0.007 . 1 . . . . A 572 LEU HA . 36418 1
598 . 1 . 1 60 60 LEU HB2 H 1 1.529 0.006 . . . . . . A 572 LEU HB2 . 36418 1
599 . 1 . 1 60 60 LEU HB3 H 1 1.529 0.006 . . . . . . A 572 LEU HB3 . 36418 1
600 . 1 . 1 60 60 LEU HG H 1 1.686 0.012 . 1 . . . . A 572 LEU HG . 36418 1
601 . 1 . 1 60 60 LEU HD21 H 1 0.715 0.007 . . . . . . A 572 LEU HD21 . 36418 1
602 . 1 . 1 60 60 LEU HD22 H 1 0.715 0.007 . . . . . . A 572 LEU HD22 . 36418 1
603 . 1 . 1 60 60 LEU HD23 H 1 0.715 0.007 . . . . . . A 572 LEU HD23 . 36418 1
604 . 1 . 1 60 60 LEU C C 13 175.714 0.000 . 1 . . . . A 572 LEU C . 36418 1
605 . 1 . 1 60 60 LEU CA C 13 54.584 0.031 . 1 . . . . A 572 LEU CA . 36418 1
606 . 1 . 1 60 60 LEU CB C 13 41.586 0.031 . 1 . . . . A 572 LEU CB . 36418 1
607 . 1 . 1 60 60 LEU CG C 13 26.648 0.025 . 1 . . . . A 572 LEU CG . 36418 1
608 . 1 . 1 60 60 LEU CD2 C 13 25.589 0.072 . . . . . . A 572 LEU CD2 . 36418 1
609 . 1 . 1 60 60 LEU N N 15 116.715 0.025 . 1 . . . . A 572 LEU N . 36418 1
610 . 1 . 1 61 61 LYS H H 1 7.792 0.003 . 1 . . . . A 573 LYS H . 36418 1
611 . 1 . 1 61 61 LYS HA H 1 3.903 0.010 . 1 . . . . A 573 LYS HA . 36418 1
612 . 1 . 1 61 61 LYS HB2 H 1 1.971 0.001 . . . . . . A 573 LYS HB2 . 36418 1
613 . 1 . 1 61 61 LYS HB3 H 1 1.860 0.005 . . . . . . A 573 LYS HB3 . 36418 1
614 . 1 . 1 61 61 LYS HG2 H 1 1.282 0.008 . . . . . . A 573 LYS HG2 . 36418 1
615 . 1 . 1 61 61 LYS HG3 H 1 1.282 0.008 . . . . . . A 573 LYS HG3 . 36418 1
616 . 1 . 1 61 61 LYS HD2 H 1 1.606 0.010 . . . . . . A 573 LYS HD2 . 36418 1
617 . 1 . 1 61 61 LYS HD3 H 1 1.606 0.010 . . . . . . A 573 LYS HD3 . 36418 1
618 . 1 . 1 61 61 LYS HE2 H 1 2.926 0.016 . . . . . . A 573 LYS HE2 . 36418 1
619 . 1 . 1 61 61 LYS HE3 H 1 2.926 0.016 . . . . . . A 573 LYS HE3 . 36418 1
620 . 1 . 1 61 61 LYS C C 13 176.530 0.000 . 1 . . . . A 573 LYS C . 36418 1
621 . 1 . 1 61 61 LYS CA C 13 57.204 0.036 . 1 . . . . A 573 LYS CA . 36418 1
622 . 1 . 1 61 61 LYS CB C 13 28.574 0.061 . 1 . . . . A 573 LYS CB . 36418 1
623 . 1 . 1 61 61 LYS CG C 13 24.786 0.055 . 1 . . . . A 573 LYS CG . 36418 1
624 . 1 . 1 61 61 LYS CD C 13 29.125 0.012 . 1 . . . . A 573 LYS CD . 36418 1
625 . 1 . 1 61 61 LYS N N 15 115.733 0.027 . 1 . . . . A 573 LYS N . 36418 1
626 . 1 . 1 62 62 MET H H 1 8.353 0.003 . 1 . . . . A 574 MET H . 36418 1
627 . 1 . 1 62 62 MET HA H 1 4.196 0.006 . 1 . . . . A 574 MET HA . 36418 1
628 . 1 . 1 62 62 MET HB2 H 1 2.164 0.008 . . . . . . A 574 MET HB2 . 36418 1
629 . 1 . 1 62 62 MET HB3 H 1 1.504 0.005 . . . . . . A 574 MET HB3 . 36418 1
630 . 1 . 1 62 62 MET HG2 H 1 2.429 0.004 . . . . . . A 574 MET HG2 . 36418 1
631 . 1 . 1 62 62 MET HG3 H 1 2.306 0.006 . . . . . . A 574 MET HG3 . 36418 1
632 . 1 . 1 62 62 MET C C 13 174.980 0.000 . 1 . . . . A 574 MET C . 36418 1
633 . 1 . 1 62 62 MET CA C 13 56.488 0.073 . 1 . . . . A 574 MET CA . 36418 1
634 . 1 . 1 62 62 MET CB C 13 34.578 0.040 . 1 . . . . A 574 MET CB . 36418 1
635 . 1 . 1 62 62 MET CG C 13 32.313 0.041 . 1 . . . . A 574 MET CG . 36418 1
636 . 1 . 1 62 62 MET N N 15 116.169 0.027 . 1 . . . . A 574 MET N . 36418 1
637 . 1 . 1 63 63 VAL H H 1 6.941 0.005 . 1 . . . . A 575 VAL H . 36418 1
638 . 1 . 1 63 63 VAL HA H 1 3.903 0.007 . 1 . . . . A 575 VAL HA . 36418 1
639 . 1 . 1 63 63 VAL HB H 1 1.981 0.005 . 1 . . . . A 575 VAL HB . 36418 1
640 . 1 . 1 63 63 VAL HG11 H 1 0.460 0.005 . . . . . . A 575 VAL HG11 . 36418 1
641 . 1 . 1 63 63 VAL HG12 H 1 0.460 0.005 . . . . . . A 575 VAL HG12 . 36418 1
642 . 1 . 1 63 63 VAL HG13 H 1 0.460 0.005 . . . . . . A 575 VAL HG13 . 36418 1
643 . 1 . 1 63 63 VAL HG21 H 1 0.186 0.004 . . . . . . A 575 VAL HG21 . 36418 1
644 . 1 . 1 63 63 VAL HG22 H 1 0.186 0.004 . . . . . . A 575 VAL HG22 . 36418 1
645 . 1 . 1 63 63 VAL HG23 H 1 0.186 0.004 . . . . . . A 575 VAL HG23 . 36418 1
646 . 1 . 1 63 63 VAL CA C 13 62.207 0.023 . 1 . . . . A 575 VAL CA . 36418 1
647 . 1 . 1 63 63 VAL CB C 13 33.671 0.055 . 1 . . . . A 575 VAL CB . 36418 1
648 . 1 . 1 63 63 VAL CG1 C 13 22.433 0.014 . . . . . . A 575 VAL CG1 . 36418 1
649 . 1 . 1 63 63 VAL CG2 C 13 19.238 0.035 . . . . . . A 575 VAL CG2 . 36418 1
650 . 1 . 1 63 63 VAL N N 15 118.381 0.031 . 1 . . . . A 575 VAL N . 36418 1
stop_
save_