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 53588
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name YdbL-YnbE_peptide_chemical_shifts
_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-13C HSQC' . . . 53588 1
2 '2D 1H-15N HSQC' . . . 53588 1
3 '2D 1H-15N BEST TROSY' . . . 53588 1
4 '3D 15N-edited NOESY HSQC' . . . 53588 1
5 '3D 15N-edited TOCSY HSQC' . . . 53588 1
6 (H)CC(CO)NH . . . 53588 1
7 '3D HNCA' . . . 53588 1
8 '3D HNCO' . . . 53588 1
9 '3D HCCH-TOCSY' . . . 53588 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $software_3 . . 53588 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 1 1 GLY HA2 H 1 3.838 0.000 . 2 . . . . . 21 GLY HA2 . 53588 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.787 0.000 . 2 . . . . . 21 GLY HA3 . 53588 1
3 . 1 . 1 1 1 GLY C C 13 180.525 0.000 . 1 . . . . . 21 GLY C . 53588 1
4 . 1 . 1 1 1 GLY CA C 13 43.297 0.012 . 1 . . . . . 21 GLY CA . 53588 1
5 . 1 . 1 2 2 LEU H H 1 8.396 0.002 . 1 . . . . . 22 LEU H . 53588 1
6 . 1 . 1 2 2 LEU HA H 1 4.473 0.002 . 1 . . . . . 22 LEU HA . 53588 1
7 . 1 . 1 2 2 LEU HB2 H 1 1.620 0.010 . 2 . . . . . 22 LEU HB2 . 53588 1
8 . 1 . 1 2 2 LEU HB3 H 1 1.394 0.007 . 2 . . . . . 22 LEU HB3 . 53588 1
9 . 1 . 1 2 2 LEU HG H 1 1.610 0.007 . 1 . . . . . 22 LEU HG . 53588 1
10 . 1 . 1 2 2 LEU HD11 H 1 0.704 0.006 . 2 . . . . . 22 LEU HD11 . 53588 1
11 . 1 . 1 2 2 LEU HD12 H 1 0.704 0.006 . 2 . . . . . 22 LEU HD12 . 53588 1
12 . 1 . 1 2 2 LEU HD13 H 1 0.704 0.006 . 2 . . . . . 22 LEU HD13 . 53588 1
13 . 1 . 1 2 2 LEU HD21 H 1 0.834 0.002 . 2 . . . . . 22 LEU HD21 . 53588 1
14 . 1 . 1 2 2 LEU HD22 H 1 0.834 0.002 . 2 . . . . . 22 LEU HD22 . 53588 1
15 . 1 . 1 2 2 LEU HD23 H 1 0.834 0.002 . 2 . . . . . 22 LEU HD23 . 53588 1
16 . 1 . 1 2 2 LEU C C 13 176.186 0.000 . 1 . . . . . 22 LEU C . 53588 1
17 . 1 . 1 2 2 LEU CA C 13 55.459 0.025 . 1 . . . . . 22 LEU CA . 53588 1
18 . 1 . 1 2 2 LEU CB C 13 43.474 0.058 . 1 . . . . . 22 LEU CB . 53588 1
19 . 1 . 1 2 2 LEU CG C 13 25.938 0.122 . 1 . . . . . 22 LEU CG . 53588 1
20 . 1 . 1 2 2 LEU CD1 C 13 25.732 0.016 . 2 . . . . . 22 LEU CD1 . 53588 1
21 . 1 . 1 2 2 LEU CD2 C 13 23.874 0.036 . 2 . . . . . 22 LEU CD2 . 53588 1
22 . 1 . 1 2 2 LEU N N 15 123.586 0.036 . 1 . . . . . 22 LEU N . 53588 1
23 . 1 . 1 3 3 THR H H 1 8.119 0.004 . 1 . . . . . 23 THR H . 53588 1
24 . 1 . 1 3 3 THR HA H 1 4.591 0.006 . 1 . . . . . 23 THR HA . 53588 1
25 . 1 . 1 3 3 THR HB H 1 4.590 0.002 . 1 . . . . . 23 THR HB . 53588 1
26 . 1 . 1 3 3 THR HG21 H 1 1.291 0.008 . 1 . . . . . 23 THR HG21 . 53588 1
27 . 1 . 1 3 3 THR HG22 H 1 1.291 0.008 . 1 . . . . . 23 THR HG22 . 53588 1
28 . 1 . 1 3 3 THR HG23 H 1 1.291 0.008 . 1 . . . . . 23 THR HG23 . 53588 1
29 . 1 . 1 3 3 THR C C 13 175.058 0.000 . 1 . . . . . 23 THR C . 53588 1
30 . 1 . 1 3 3 THR CA C 13 59.935 0.004 . 1 . . . . . 23 THR CA . 53588 1
31 . 1 . 1 3 3 THR CB C 13 71.596 0.031 . 1 . . . . . 23 THR CB . 53588 1
32 . 1 . 1 3 3 THR CG2 C 13 21.915 0.044 . 1 . . . . . 23 THR CG2 . 53588 1
33 . 1 . 1 3 3 THR N N 15 116.084 0.005 . 1 . . . . . 23 THR N . 53588 1
34 . 1 . 1 4 4 LEU H H 1 8.833 0.003 . 1 . . . . . 24 LEU H . 53588 1
35 . 1 . 1 4 4 LEU HA H 1 3.932 0.010 . 1 . . . . . 24 LEU HA . 53588 1
36 . 1 . 1 4 4 LEU HB2 H 1 1.850 0.007 . 2 . . . . . 24 LEU HB2 . 53588 1
37 . 1 . 1 4 4 LEU HB3 H 1 1.312 0.011 . 2 . . . . . 24 LEU HB3 . 53588 1
38 . 1 . 1 4 4 LEU HG H 1 1.272 0.008 . 1 . . . . . 24 LEU HG . 53588 1
39 . 1 . 1 4 4 LEU HD11 H 1 0.640 0.008 . 2 . . . . . 24 LEU HD11 . 53588 1
40 . 1 . 1 4 4 LEU HD12 H 1 0.640 0.008 . 2 . . . . . 24 LEU HD12 . 53588 1
41 . 1 . 1 4 4 LEU HD13 H 1 0.640 0.008 . 2 . . . . . 24 LEU HD13 . 53588 1
42 . 1 . 1 4 4 LEU HD21 H 1 0.828 0.012 . 2 . . . . . 24 LEU HD21 . 53588 1
43 . 1 . 1 4 4 LEU HD22 H 1 0.828 0.012 . 2 . . . . . 24 LEU HD22 . 53588 1
44 . 1 . 1 4 4 LEU HD23 H 1 0.828 0.012 . 2 . . . . . 24 LEU HD23 . 53588 1
45 . 1 . 1 4 4 LEU C C 13 177.785 0.000 . 1 . . . . . 24 LEU C . 53588 1
46 . 1 . 1 4 4 LEU CA C 13 58.437 0.032 . 1 . . . . . 24 LEU CA . 53588 1
47 . 1 . 1 4 4 LEU CB C 13 41.097 0.036 . 1 . . . . . 24 LEU CB . 53588 1
48 . 1 . 1 4 4 LEU CG C 13 27.317 0.020 . 1 . . . . . 24 LEU CG . 53588 1
49 . 1 . 1 4 4 LEU CD1 C 13 26.208 0.018 . 2 . . . . . 24 LEU CD1 . 53588 1
50 . 1 . 1 4 4 LEU CD2 C 13 23.923 0.028 . 2 . . . . . 24 LEU CD2 . 53588 1
51 . 1 . 1 4 4 LEU N N 15 122.850 0.009 . 1 . . . . . 24 LEU N . 53588 1
52 . 1 . 1 5 5 ASP H H 1 8.595 0.003 . 1 . . . . . 25 ASP H . 53588 1
53 . 1 . 1 5 5 ASP HA H 1 4.403 0.006 . 1 . . . . . 25 ASP HA . 53588 1
54 . 1 . 1 5 5 ASP HB2 H 1 2.593 0.003 . 2 . . . . . 25 ASP HB2 . 53588 1
55 . 1 . 1 5 5 ASP HB3 H 1 2.700 0.006 . 2 . . . . . 25 ASP HB3 . 53588 1
56 . 1 . 1 5 5 ASP C C 13 179.619 0.000 . 1 . . . . . 25 ASP C . 53588 1
57 . 1 . 1 5 5 ASP CA C 13 57.502 0.081 . 1 . . . . . 25 ASP CA . 53588 1
58 . 1 . 1 5 5 ASP CB C 13 41.169 0.030 . 1 . . . . . 25 ASP CB . 53588 1
59 . 1 . 1 5 5 ASP N N 15 117.225 0.010 . 1 . . . . . 25 ASP N . 53588 1
60 . 1 . 1 6 6 GLU H H 1 7.755 0.003 . 1 . . . . . 26 GLU H . 53588 1
61 . 1 . 1 6 6 GLU HA H 1 4.016 0.002 . 1 . . . . . 26 GLU HA . 53588 1
62 . 1 . 1 6 6 GLU HB2 H 1 2.204 0.005 . 2 . . . . . 26 GLU HB2 . 53588 1
63 . 1 . 1 6 6 GLU HB3 H 1 1.904 0.007 . 2 . . . . . 26 GLU HB3 . 53588 1
64 . 1 . 1 6 6 GLU HG2 H 1 2.201 0.009 . 1 . . . . . 26 GLU HG2 . 53588 1
65 . 1 . 1 6 6 GLU C C 13 178.192 0.000 . 1 . . . . . 26 GLU C . 53588 1
66 . 1 . 1 6 6 GLU CA C 13 59.099 0.034 . 1 . . . . . 26 GLU CA . 53588 1
67 . 1 . 1 6 6 GLU CB C 13 30.379 0.117 . 1 . . . . . 26 GLU CB . 53588 1
68 . 1 . 1 6 6 GLU CG C 13 36.828 0.105 . 1 . . . . . 26 GLU CG . 53588 1
69 . 1 . 1 6 6 GLU N N 15 120.640 0.043 . 1 . . . . . 26 GLU N . 53588 1
70 . 1 . 1 7 7 ALA H H 1 8.623 0.002 . 1 . . . . . 27 ALA H . 53588 1
71 . 1 . 1 7 7 ALA HA H 1 3.816 0.005 . 1 . . . . . 27 ALA HA . 53588 1
72 . 1 . 1 7 7 ALA HB1 H 1 1.421 0.007 . 1 . . . . . 27 ALA HB1 . 53588 1
73 . 1 . 1 7 7 ALA HB2 H 1 1.421 0.007 . 1 . . . . . 27 ALA HB2 . 53588 1
74 . 1 . 1 7 7 ALA HB3 H 1 1.421 0.007 . 1 . . . . . 27 ALA HB3 . 53588 1
75 . 1 . 1 7 7 ALA C C 13 180.387 0.000 . 1 . . . . . 27 ALA C . 53588 1
76 . 1 . 1 7 7 ALA CA C 13 55.564 0.027 . 1 . . . . . 27 ALA CA . 53588 1
77 . 1 . 1 7 7 ALA CB C 13 19.110 0.010 . 1 . . . . . 27 ALA CB . 53588 1
78 . 1 . 1 7 7 ALA N N 15 120.970 0.012 . 1 . . . . . 27 ALA N . 53588 1
79 . 1 . 1 8 8 ARG H H 1 8.777 0.003 . 1 . . . . . 28 ARG H . 53588 1
80 . 1 . 1 8 8 ARG HA H 1 4.245 0.001 . 1 . . . . . 28 ARG HA . 53588 1
81 . 1 . 1 8 8 ARG HB2 H 1 2.106 0.004 . 1 . . . . . 28 ARG HB2 . 53588 1
82 . 1 . 1 8 8 ARG HG2 H 1 1.813 0.006 . 2 . . . . . 28 ARG HG2 . 53588 1
83 . 1 . 1 8 8 ARG HG3 H 1 1.443 0.009 . 2 . . . . . 28 ARG HG3 . 53588 1
84 . 1 . 1 8 8 ARG HD2 H 1 3.245 0.004 . 2 . . . . . 28 ARG HD2 . 53588 1
85 . 1 . 1 8 8 ARG HD3 H 1 3.239 0.009 . 2 . . . . . 28 ARG HD3 . 53588 1
86 . 1 . 1 8 8 ARG HE H 1 6.539 0.003 . 1 . . . . . 28 ARG HE . 53588 1
87 . 1 . 1 8 8 ARG C C 13 181.045 0.000 . 1 . . . . . 28 ARG C . 53588 1
88 . 1 . 1 8 8 ARG CA C 13 59.852 0.010 . 1 . . . . . 28 ARG CA . 53588 1
89 . 1 . 1 8 8 ARG CB C 13 31.247 0.000 . 1 . . . . . 28 ARG CB . 53588 1
90 . 1 . 1 8 8 ARG CG C 13 28.291 0.000 . 1 . . . . . 28 ARG CG . 53588 1
91 . 1 . 1 8 8 ARG CD C 13 43.929 0.096 . 1 . . . . . 28 ARG CD . 53588 1
92 . 1 . 1 8 8 ARG CZ C 13 160.393 0.000 . 1 . . . . . 28 ARG CZ . 53588 1
93 . 1 . 1 8 8 ARG N N 15 118.399 0.007 . 1 . . . . . 28 ARG N . 53588 1
94 . 1 . 1 8 8 ARG NE N 15 83.114 0.042 . 1 . . . . . 28 ARG NE . 53588 1
95 . 1 . 1 9 9 THR H H 1 8.553 0.003 . 1 . . . . . 29 THR H . 53588 1
96 . 1 . 1 9 9 THR HA H 1 3.983 0.002 . 1 . . . . . 29 THR HA . 53588 1
97 . 1 . 1 9 9 THR HB H 1 4.326 0.010 . 1 . . . . . 29 THR HB . 53588 1
98 . 1 . 1 9 9 THR HG21 H 1 1.313 0.008 . 1 . . . . . 29 THR HG21 . 53588 1
99 . 1 . 1 9 9 THR HG22 H 1 1.313 0.008 . 1 . . . . . 29 THR HG22 . 53588 1
100 . 1 . 1 9 9 THR HG23 H 1 1.313 0.008 . 1 . . . . . 29 THR HG23 . 53588 1
101 . 1 . 1 9 9 THR C C 13 176.414 0.000 . 1 . . . . . 29 THR C . 53588 1
102 . 1 . 1 9 9 THR CA C 13 67.081 0.054 . 1 . . . . . 29 THR CA . 53588 1
103 . 1 . 1 9 9 THR CB C 13 68.762 0.026 . 1 . . . . . 29 THR CB . 53588 1
104 . 1 . 1 9 9 THR CG2 C 13 21.771 0.005 . 1 . . . . . 29 THR CG2 . 53588 1
105 . 1 . 1 9 9 THR N N 15 120.221 0.016 . 1 . . . . . 29 THR N . 53588 1
106 . 1 . 1 10 10 GLN H H 1 8.396 0.003 . 1 . . . . . 30 GLN H . 53588 1
107 . 1 . 1 10 10 GLN HA H 1 4.320 0.011 . 1 . . . . . 30 GLN HA . 53588 1
108 . 1 . 1 10 10 GLN HB2 H 1 1.780 0.001 . 1 . . . . . 30 GLN HB2 . 53588 1
109 . 1 . 1 10 10 GLN HG2 H 1 2.705 0.012 . 2 . . . . . 30 GLN HG2 . 53588 1
110 . 1 . 1 10 10 GLN HG3 H 1 2.488 0.000 . 2 . . . . . 30 GLN HG3 . 53588 1
111 . 1 . 1 10 10 GLN HE21 H 1 6.984 0.001 . 1 . . . . . 30 GLN HE21 . 53588 1
112 . 1 . 1 10 10 GLN HE22 H 1 7.608 0.003 . 1 . . . . . 30 GLN HE22 . 53588 1
113 . 1 . 1 10 10 GLN C C 13 176.352 0.000 . 1 . . . . . 30 GLN C . 53588 1
114 . 1 . 1 10 10 GLN CA C 13 56.197 0.029 . 1 . . . . . 30 GLN CA . 53588 1
115 . 1 . 1 10 10 GLN CB C 13 29.241 0.000 . 1 . . . . . 30 GLN CB . 53588 1
116 . 1 . 1 10 10 GLN CG C 13 34.123 0.038 . 1 . . . . . 30 GLN CG . 53588 1
117 . 1 . 1 10 10 GLN N N 15 117.135 0.006 . 1 . . . . . 30 GLN N . 53588 1
118 . 1 . 1 10 10 GLN NE2 N 15 112.127 0.037 . 1 . . . . . 30 GLN NE2 . 53588 1
119 . 1 . 1 11 11 GLY H H 1 7.874 0.003 . 1 . . . . . 31 GLY H . 53588 1
120 . 1 . 1 11 11 GLY HA2 H 1 4.101 0.010 . 2 . . . . . 31 GLY HA2 . 53588 1
121 . 1 . 1 11 11 GLY HA3 H 1 4.175 0.014 . 2 . . . . . 31 GLY HA3 . 53588 1
122 . 1 . 1 11 11 GLY C C 13 173.847 0.000 . 1 . . . . . 31 GLY C . 53588 1
123 . 1 . 1 11 11 GLY CA C 13 46.724 0.030 . 1 . . . . . 31 GLY CA . 53588 1
124 . 1 . 1 11 11 GLY N N 15 108.710 0.023 . 1 . . . . . 31 GLY N . 53588 1
125 . 1 . 1 12 12 ARG H H 1 8.398 0.004 . 1 . . . . . 32 ARG H . 53588 1
126 . 1 . 1 12 12 ARG HA H 1 4.014 0.011 . 1 . . . . . 32 ARG HA . 53588 1
127 . 1 . 1 12 12 ARG HB2 H 1 2.479 0.011 . 2 . . . . . 32 ARG HB2 . 53588 1
128 . 1 . 1 12 12 ARG HB3 H 1 1.547 0.000 . 2 . . . . . 32 ARG HB3 . 53588 1
129 . 1 . 1 12 12 ARG HD2 H 1 3.495 0.004 . 2 . . . . . 32 ARG HD2 . 53588 1
130 . 1 . 1 12 12 ARG HD3 H 1 2.864 0.003 . 2 . . . . . 32 ARG HD3 . 53588 1
131 . 1 . 1 12 12 ARG HE H 1 7.072 0.006 . 1 . . . . . 32 ARG HE . 53588 1
132 . 1 . 1 12 12 ARG C C 13 175.917 0.000 . 1 . . . . . 32 ARG C . 53588 1
133 . 1 . 1 12 12 ARG CA C 13 57.630 0.025 . 1 . . . . . 32 ARG CA . 53588 1
134 . 1 . 1 12 12 ARG CB C 13 31.950 0.090 . 1 . . . . . 32 ARG CB . 53588 1
135 . 1 . 1 12 12 ARG CG C 13 27.519 0.000 . 1 . . . . . 32 ARG CG . 53588 1
136 . 1 . 1 12 12 ARG CD C 13 45.317 0.073 . 1 . . . . . 32 ARG CD . 53588 1
137 . 1 . 1 12 12 ARG CZ C 13 159.558 0.000 . 1 . . . . . 32 ARG CZ . 53588 1
138 . 1 . 1 12 12 ARG N N 15 114.627 0.067 . 1 . . . . . 32 ARG N . 53588 1
139 . 1 . 1 12 12 ARG NE N 15 82.569 . . 1 . . . . . 32 ARG NE . 53588 1
140 . 1 . 1 13 13 VAL H H 1 7.100 0.003 . 1 . . . . . 33 VAL H . 53588 1
141 . 1 . 1 13 13 VAL HA H 1 5.168 0.007 . 1 . . . . . 33 VAL HA . 53588 1
142 . 1 . 1 13 13 VAL HB H 1 1.980 0.004 . 1 . . . . . 33 VAL HB . 53588 1
143 . 1 . 1 13 13 VAL HG11 H 1 0.549 0.001 . 2 . . . . . 33 VAL HG11 . 53588 1
144 . 1 . 1 13 13 VAL HG12 H 1 0.549 0.001 . 2 . . . . . 33 VAL HG12 . 53588 1
145 . 1 . 1 13 13 VAL HG13 H 1 0.549 0.001 . 2 . . . . . 33 VAL HG13 . 53588 1
146 . 1 . 1 13 13 VAL HG21 H 1 0.714 0.001 . 2 . . . . . 33 VAL HG21 . 53588 1
147 . 1 . 1 13 13 VAL HG22 H 1 0.714 0.001 . 2 . . . . . 33 VAL HG22 . 53588 1
148 . 1 . 1 13 13 VAL HG23 H 1 0.714 0.001 . 2 . . . . . 33 VAL HG23 . 53588 1
149 . 1 . 1 13 13 VAL C C 13 172.853 0.000 . 1 . . . . . 33 VAL C . 53588 1
150 . 1 . 1 13 13 VAL CA C 13 57.039 0.017 . 1 . . . . . 33 VAL CA . 53588 1
151 . 1 . 1 13 13 VAL CB C 13 35.469 0.048 . 1 . . . . . 33 VAL CB . 53588 1
152 . 1 . 1 13 13 VAL CG1 C 13 19.362 0.000 . 2 . . . . . 33 VAL CG1 . 53588 1
153 . 1 . 1 13 13 VAL CG2 C 13 23.743 0.000 . 2 . . . . . 33 VAL CG2 . 53588 1
154 . 1 . 1 13 13 VAL N N 15 107.024 0.026 . 1 . . . . . 33 VAL N . 53588 1
155 . 1 . 1 14 14 GLY H H 1 8.369 0.002 . 1 . . . . . 34 GLY H . 53588 1
156 . 1 . 1 14 14 GLY HA2 H 1 5.025 0.006 . 2 . . . . . 34 GLY HA2 . 53588 1
157 . 1 . 1 14 14 GLY HA3 H 1 3.703 0.005 . 2 . . . . . 34 GLY HA3 . 53588 1
158 . 1 . 1 14 14 GLY C C 13 171.963 0.000 . 1 . . . . . 34 GLY C . 53588 1
159 . 1 . 1 14 14 GLY CA C 13 44.977 0.010 . 1 . . . . . 34 GLY CA . 53588 1
160 . 1 . 1 14 14 GLY N N 15 107.178 0.009 . 1 . . . . . 34 GLY N . 53588 1
161 . 1 . 1 15 15 GLU H H 1 7.797 0.002 . 1 . . . . . 35 GLU H . 53588 1
162 . 1 . 1 15 15 GLU HA H 1 4.959 0.010 . 1 . . . . . 35 GLU HA . 53588 1
163 . 1 . 1 15 15 GLU HB2 H 1 1.634 0.007 . 2 . . . . . 35 GLU HB2 . 53588 1
164 . 1 . 1 15 15 GLU HB3 H 1 1.916 0.001 . 2 . . . . . 35 GLU HB3 . 53588 1
165 . 1 . 1 15 15 GLU C C 13 176.083 0.000 . 1 . . . . . 35 GLU C . 53588 1
166 . 1 . 1 15 15 GLU CA C 13 55.485 0.065 . 1 . . . . . 35 GLU CA . 53588 1
167 . 1 . 1 15 15 GLU CB C 13 31.946 0.052 . 1 . . . . . 35 GLU CB . 53588 1
168 . 1 . 1 15 15 GLU CG C 13 33.883 0.000 . 1 . . . . . 35 GLU CG . 53588 1
169 . 1 . 1 15 15 GLU N N 15 120.201 0.017 . 1 . . . . . 35 GLU N . 53588 1
170 . 1 . 1 16 16 THR H H 1 7.660 0.002 . 1 . . . . . 36 THR H . 53588 1
171 . 1 . 1 16 16 THR HA H 1 4.842 0.007 . 1 . . . . . 36 THR HA . 53588 1
172 . 1 . 1 16 16 THR HB H 1 3.850 0.003 . 1 . . . . . 36 THR HB . 53588 1
173 . 1 . 1 16 16 THR HG21 H 1 1.307 0.003 . 1 . . . . . 36 THR HG21 . 53588 1
174 . 1 . 1 16 16 THR HG22 H 1 1.307 0.003 . 1 . . . . . 36 THR HG22 . 53588 1
175 . 1 . 1 16 16 THR HG23 H 1 1.307 0.003 . 1 . . . . . 36 THR HG23 . 53588 1
176 . 1 . 1 16 16 THR C C 13 176.704 0.000 . 1 . . . . . 36 THR C . 53588 1
177 . 1 . 1 16 16 THR CA C 13 59.969 0.012 . 1 . . . . . 36 THR CA . 53588 1
178 . 1 . 1 16 16 THR CB C 13 74.089 0.031 . 1 . . . . . 36 THR CB . 53588 1
179 . 1 . 1 16 16 THR CG2 C 13 22.335 0.007 . 1 . . . . . 36 THR CG2 . 53588 1
180 . 1 . 1 16 16 THR N N 15 107.253 0.011 . 1 . . . . . 36 THR N . 53588 1
181 . 1 . 1 17 17 PHE H H 1 8.195 0.006 . 1 . . . . . 37 PHE H . 53588 1
182 . 1 . 1 17 17 PHE HA H 1 4.009 0.012 . 1 . . . . . 37 PHE HA . 53588 1
183 . 1 . 1 17 17 PHE HB2 H 1 3.022 0.010 . 2 . . . . . 37 PHE HB2 . 53588 1
184 . 1 . 1 17 17 PHE HB3 H 1 2.993 0.016 . 2 . . . . . 37 PHE HB3 . 53588 1
185 . 1 . 1 17 17 PHE HD1 H 1 7.063 0.002 . 1 . . . . . 37 PHE HD1 . 53588 1
186 . 1 . 1 17 17 PHE HD2 H 1 7.063 0.002 . 1 . . . . . 37 PHE HD2 . 53588 1
187 . 1 . 1 17 17 PHE HE1 H 1 7.287 0.004 . 1 . . . . . 37 PHE HE1 . 53588 1
188 . 1 . 1 17 17 PHE HE2 H 1 7.287 0.004 . 1 . . . . . 37 PHE HE2 . 53588 1
189 . 1 . 1 17 17 PHE C C 13 174.157 0.000 . 1 . . . . . 37 PHE C . 53588 1
190 . 1 . 1 17 17 PHE CA C 13 59.043 0.059 . 1 . . . . . 37 PHE CA . 53588 1
191 . 1 . 1 17 17 PHE CB C 13 37.939 0.015 . 1 . . . . . 37 PHE CB . 53588 1
192 . 1 . 1 17 17 PHE CD1 C 13 132.288 0.000 . 1 . . . . . 37 PHE CD1 . 53588 1
193 . 1 . 1 17 17 PHE CD2 C 13 132.288 0.000 . 1 . . . . . 37 PHE CD2 . 53588 1
194 . 1 . 1 17 17 PHE N N 15 116.462 0.019 . 1 . . . . . 37 PHE N . 53588 1
195 . 1 . 1 18 18 TYR H H 1 6.543 0.004 . 1 . . . . . 38 TYR H . 53588 1
196 . 1 . 1 18 18 TYR HA H 1 4.459 0.011 . 1 . . . . . 38 TYR HA . 53588 1
197 . 1 . 1 18 18 TYR HB2 H 1 3.195 0.003 . 2 . . . . . 38 TYR HB2 . 53588 1
198 . 1 . 1 18 18 TYR HB3 H 1 2.516 0.005 . 2 . . . . . 38 TYR HB3 . 53588 1
199 . 1 . 1 18 18 TYR HD1 H 1 6.615 0.002 . 1 . . . . . 38 TYR HD1 . 53588 1
200 . 1 . 1 18 18 TYR HD2 H 1 6.615 0.002 . 1 . . . . . 38 TYR HD2 . 53588 1
201 . 1 . 1 18 18 TYR HE1 H 1 6.816 0.002 . 1 . . . . . 38 TYR HE1 . 53588 1
202 . 1 . 1 18 18 TYR HE2 H 1 6.816 0.002 . 1 . . . . . 38 TYR HE2 . 53588 1
203 . 1 . 1 18 18 TYR C C 13 174.882 0.000 . 1 . . . . . 38 TYR C . 53588 1
204 . 1 . 1 18 18 TYR CA C 13 56.427 0.045 . 1 . . . . . 38 TYR CA . 53588 1
205 . 1 . 1 18 18 TYR CB C 13 37.083 0.042 . 1 . . . . . 38 TYR CB . 53588 1
206 . 1 . 1 18 18 TYR CD1 C 13 133.101 0.000 . 1 . . . . . 38 TYR CD1 . 53588 1
207 . 1 . 1 18 18 TYR CD2 C 13 133.101 0.000 . 1 . . . . . 38 TYR CD2 . 53588 1
208 . 1 . 1 18 18 TYR CE1 C 13 118.253 0.000 . 1 . . . . . 38 TYR CE1 . 53588 1
209 . 1 . 1 18 18 TYR CE2 C 13 118.253 0.000 . 1 . . . . . 38 TYR CE2 . 53588 1
210 . 1 . 1 18 18 TYR N N 15 112.824 0.023 . 1 . . . . . 38 TYR N . 53588 1
211 . 1 . 1 19 19 GLY H H 1 6.838 0.003 . 1 . . . . . 39 GLY H . 53588 1
212 . 1 . 1 19 19 GLY HA2 H 1 3.409 0.007 . 2 . . . . . 39 GLY HA2 . 53588 1
213 . 1 . 1 19 19 GLY HA3 H 1 4.028 0.011 . 2 . . . . . 39 GLY HA3 . 53588 1
214 . 1 . 1 19 19 GLY C C 13 174.635 0.000 . 1 . . . . . 39 GLY C . 53588 1
215 . 1 . 1 19 19 GLY CA C 13 46.395 0.051 . 1 . . . . . 39 GLY CA . 53588 1
216 . 1 . 1 19 19 GLY N N 15 103.316 0.018 . 1 . . . . . 39 GLY N . 53588 1
217 . 1 . 1 20 20 TYR H H 1 6.339 0.002 . 1 . . . . . 40 TYR H . 53588 1
218 . 1 . 1 20 20 TYR HA H 1 5.070 0.008 . 1 . . . . . 40 TYR HA . 53588 1
219 . 1 . 1 20 20 TYR HB2 H 1 3.241 0.009 . 2 . . . . . 40 TYR HB2 . 53588 1
220 . 1 . 1 20 20 TYR HB3 H 1 2.452 0.012 . 2 . . . . . 40 TYR HB3 . 53588 1
221 . 1 . 1 20 20 TYR HD1 H 1 7.120 0.005 . 1 . . . . . 40 TYR HD1 . 53588 1
222 . 1 . 1 20 20 TYR HD2 H 1 7.120 0.005 . 1 . . . . . 40 TYR HD2 . 53588 1
223 . 1 . 1 20 20 TYR HE1 H 1 6.898 0.003 . 1 . . . . . 40 TYR HE1 . 53588 1
224 . 1 . 1 20 20 TYR HE2 H 1 6.898 0.003 . 1 . . . . . 40 TYR HE2 . 53588 1
225 . 1 . 1 20 20 TYR C C 13 174.348 0.000 . 1 . . . . . 40 TYR C . 53588 1
226 . 1 . 1 20 20 TYR CA C 13 56.619 0.027 . 1 . . . . . 40 TYR CA . 53588 1
227 . 1 . 1 20 20 TYR CB C 13 41.363 0.029 . 1 . . . . . 40 TYR CB . 53588 1
228 . 1 . 1 20 20 TYR CD1 C 13 132.993 0.000 . 1 . . . . . 40 TYR CD1 . 53588 1
229 . 1 . 1 20 20 TYR CD2 C 13 132.993 0.000 . 1 . . . . . 40 TYR CD2 . 53588 1
230 . 1 . 1 20 20 TYR CE1 C 13 118.257 0.000 . 1 . . . . . 40 TYR CE1 . 53588 1
231 . 1 . 1 20 20 TYR CE2 C 13 118.257 0.000 . 1 . . . . . 40 TYR CE2 . 53588 1
232 . 1 . 1 20 20 TYR N N 15 116.677 0.009 . 1 . . . . . 40 TYR N . 53588 1
233 . 1 . 1 21 21 LEU H H 1 9.666 0.005 . 1 . . . . . 41 LEU H . 53588 1
234 . 1 . 1 21 21 LEU HA H 1 4.897 0.009 . 1 . . . . . 41 LEU HA . 53588 1
235 . 1 . 1 21 21 LEU HB2 H 1 1.885 0.002 . 2 . . . . . 41 LEU HB2 . 53588 1
236 . 1 . 1 21 21 LEU HB3 H 1 1.182 0.003 . 2 . . . . . 41 LEU HB3 . 53588 1
237 . 1 . 1 21 21 LEU HG H 1 1.806 0.007 . 1 . . . . . 41 LEU HG . 53588 1
238 . 1 . 1 21 21 LEU HD11 H 1 0.812 0.012 . 2 . . . . . 41 LEU HD11 . 53588 1
239 . 1 . 1 21 21 LEU HD12 H 1 0.812 0.012 . 2 . . . . . 41 LEU HD12 . 53588 1
240 . 1 . 1 21 21 LEU HD13 H 1 0.812 0.012 . 2 . . . . . 41 LEU HD13 . 53588 1
241 . 1 . 1 21 21 LEU HD21 H 1 0.775 0.012 . 2 . . . . . 41 LEU HD21 . 53588 1
242 . 1 . 1 21 21 LEU HD22 H 1 0.775 0.012 . 2 . . . . . 41 LEU HD22 . 53588 1
243 . 1 . 1 21 21 LEU HD23 H 1 0.775 0.012 . 2 . . . . . 41 LEU HD23 . 53588 1
244 . 1 . 1 21 21 LEU C C 13 178.460 0.000 . 1 . . . . . 41 LEU C . 53588 1
245 . 1 . 1 21 21 LEU CA C 13 54.543 0.045 . 1 . . . . . 41 LEU CA . 53588 1
246 . 1 . 1 21 21 LEU CB C 13 46.712 0.058 . 1 . . . . . 41 LEU CB . 53588 1
247 . 1 . 1 21 21 LEU CG C 13 26.685 0.000 . 1 . . . . . 41 LEU CG . 53588 1
248 . 1 . 1 21 21 LEU CD1 C 13 23.083 0.018 . 2 . . . . . 41 LEU CD1 . 53588 1
249 . 1 . 1 21 21 LEU CD2 C 13 27.563 0.020 . 2 . . . . . 41 LEU CD2 . 53588 1
250 . 1 . 1 21 21 LEU N N 15 122.465 0.037 . 1 . . . . . 41 LEU N . 53588 1
251 . 1 . 1 22 22 VAL H H 1 8.470 0.003 . 1 . . . . . 42 VAL H . 53588 1
252 . 1 . 1 22 22 VAL HA H 1 4.177 0.007 . 1 . . . . . 42 VAL HA . 53588 1
253 . 1 . 1 22 22 VAL HB H 1 1.869 0.011 . 1 . . . . . 42 VAL HB . 53588 1
254 . 1 . 1 22 22 VAL HG11 H 1 0.878 0.005 . 2 . . . . . 42 VAL HG11 . 53588 1
255 . 1 . 1 22 22 VAL HG12 H 1 0.878 0.005 . 2 . . . . . 42 VAL HG12 . 53588 1
256 . 1 . 1 22 22 VAL HG13 H 1 0.878 0.005 . 2 . . . . . 42 VAL HG13 . 53588 1
257 . 1 . 1 22 22 VAL HG21 H 1 1.144 0.011 . 2 . . . . . 42 VAL HG21 . 53588 1
258 . 1 . 1 22 22 VAL HG22 H 1 1.144 0.011 . 2 . . . . . 42 VAL HG22 . 53588 1
259 . 1 . 1 22 22 VAL HG23 H 1 1.144 0.011 . 2 . . . . . 42 VAL HG23 . 53588 1
260 . 1 . 1 22 22 VAL C C 13 175.104 0.000 . 1 . . . . . 42 VAL C . 53588 1
261 . 1 . 1 22 22 VAL CA C 13 61.287 0.060 . 1 . . . . . 42 VAL CA . 53588 1
262 . 1 . 1 22 22 VAL CB C 13 36.202 0.109 . 1 . . . . . 42 VAL CB . 53588 1
263 . 1 . 1 22 22 VAL CG1 C 13 21.178 0.065 . 2 . . . . . 42 VAL CG1 . 53588 1
264 . 1 . 1 22 22 VAL CG2 C 13 23.363 0.077 . 2 . . . . . 42 VAL CG2 . 53588 1
265 . 1 . 1 22 22 VAL N N 15 120.204 0.004 . 1 . . . . . 42 VAL N . 53588 1
266 . 1 . 1 23 23 ALA H H 1 8.904 0.002 . 1 . . . . . 43 ALA H . 53588 1
267 . 1 . 1 23 23 ALA HA H 1 4.252 0.003 . 1 . . . . . 43 ALA HA . 53588 1
268 . 1 . 1 23 23 ALA HB1 H 1 1.373 0.004 . 1 . . . . . 43 ALA HB1 . 53588 1
269 . 1 . 1 23 23 ALA HB2 H 1 1.373 0.004 . 1 . . . . . 43 ALA HB2 . 53588 1
270 . 1 . 1 23 23 ALA HB3 H 1 1.373 0.004 . 1 . . . . . 43 ALA HB3 . 53588 1
271 . 1 . 1 23 23 ALA C C 13 175.511 0.000 . 1 . . . . . 43 ALA C . 53588 1
272 . 1 . 1 23 23 ALA CA C 13 52.109 0.041 . 1 . . . . . 43 ALA CA . 53588 1
273 . 1 . 1 23 23 ALA CB C 13 17.915 0.023 . 1 . . . . . 43 ALA CB . 53588 1
274 . 1 . 1 23 23 ALA N N 15 128.139 0.002 . 1 . . . . . 43 ALA N . 53588 1
275 . 1 . 1 24 24 LEU H H 1 8.318 0.003 . 1 . . . . . 44 LEU H . 53588 1
276 . 1 . 1 24 24 LEU HA H 1 3.931 0.007 . 1 . . . . . 44 LEU HA . 53588 1
277 . 1 . 1 24 24 LEU HB2 H 1 1.136 0.002 . 2 . . . . . 44 LEU HB2 . 53588 1
278 . 1 . 1 24 24 LEU HB3 H 1 0.880 0.010 . 2 . . . . . 44 LEU HB3 . 53588 1
279 . 1 . 1 24 24 LEU HG H 1 0.678 0.010 . 1 . . . . . 44 LEU HG . 53588 1
280 . 1 . 1 24 24 LEU HD11 H 1 -0.742 0.006 . 2 . . . . . 44 LEU HD11 . 53588 1
281 . 1 . 1 24 24 LEU HD12 H 1 -0.742 0.006 . 2 . . . . . 44 LEU HD12 . 53588 1
282 . 1 . 1 24 24 LEU HD13 H 1 -0.742 0.006 . 2 . . . . . 44 LEU HD13 . 53588 1
283 . 1 . 1 24 24 LEU HD21 H 1 -0.327 0.002 . 2 . . . . . 44 LEU HD21 . 53588 1
284 . 1 . 1 24 24 LEU HD22 H 1 -0.327 0.002 . 2 . . . . . 44 LEU HD22 . 53588 1
285 . 1 . 1 24 24 LEU HD23 H 1 -0.327 0.002 . 2 . . . . . 44 LEU HD23 . 53588 1
286 . 1 . 1 24 24 LEU C C 13 177.384 0.000 . 1 . . . . . 44 LEU C . 53588 1
287 . 1 . 1 24 24 LEU CA C 13 54.959 0.043 . 1 . . . . . 44 LEU CA . 53588 1
288 . 1 . 1 24 24 LEU CB C 13 40.917 0.065 . 1 . . . . . 44 LEU CB . 53588 1
289 . 1 . 1 24 24 LEU CG C 13 26.670 0.020 . 1 . . . . . 44 LEU CG . 53588 1
290 . 1 . 1 24 24 LEU CD1 C 13 19.823 0.031 . 2 . . . . . 44 LEU CD1 . 53588 1
291 . 1 . 1 24 24 LEU CD2 C 13 24.510 0.002 . 2 . . . . . 44 LEU CD2 . 53588 1
292 . 1 . 1 24 24 LEU N N 15 126.197 0.010 . 1 . . . . . 44 LEU N . 53588 1
293 . 1 . 1 25 25 LYS H H 1 7.384 0.001 . 1 . . . . . 45 LYS H . 53588 1
294 . 1 . 1 25 25 LYS HA H 1 4.615 0.011 . 1 . . . . . 45 LYS HA . 53588 1
295 . 1 . 1 25 25 LYS HB2 H 1 2.070 0.009 . 2 . . . . . 45 LYS HB2 . 53588 1
296 . 1 . 1 25 25 LYS HB3 H 1 1.671 0.010 . 2 . . . . . 45 LYS HB3 . 53588 1
297 . 1 . 1 25 25 LYS HG2 H 1 1.372 0.000 . 2 . . . . . 45 LYS HG2 . 53588 1
298 . 1 . 1 25 25 LYS HG3 H 1 1.457 0.000 . 2 . . . . . 45 LYS HG3 . 53588 1
299 . 1 . 1 25 25 LYS C C 13 176.041 0.000 . 1 . . . . . 45 LYS C . 53588 1
300 . 1 . 1 25 25 LYS CA C 13 54.042 0.108 . 1 . . . . . 45 LYS CA . 53588 1
301 . 1 . 1 25 25 LYS CB C 13 35.000 0.078 . 1 . . . . . 45 LYS CB . 53588 1
302 . 1 . 1 25 25 LYS CG C 13 25.115 0.000 . 1 . . . . . 45 LYS CG . 53588 1
303 . 1 . 1 25 25 LYS N N 15 118.655 0.004 . 1 . . . . . 45 LYS N . 53588 1
304 . 1 . 1 26 26 THR H H 1 8.115 0.002 . 1 . . . . . 46 THR H . 53588 1
305 . 1 . 1 26 26 THR HA H 1 4.410 0.010 . 1 . . . . . 46 THR HA . 53588 1
306 . 1 . 1 26 26 THR HB H 1 4.576 0.004 . 1 . . . . . 46 THR HB . 53588 1
307 . 1 . 1 26 26 THR HG21 H 1 1.021 0.002 . 1 . . . . . 46 THR HG21 . 53588 1
308 . 1 . 1 26 26 THR HG22 H 1 1.021 0.002 . 1 . . . . . 46 THR HG22 . 53588 1
309 . 1 . 1 26 26 THR HG23 H 1 1.021 0.002 . 1 . . . . . 46 THR HG23 . 53588 1
310 . 1 . 1 26 26 THR C C 13 174.619 0.000 . 1 . . . . . 46 THR C . 53588 1
311 . 1 . 1 26 26 THR CA C 13 60.914 0.042 . 1 . . . . . 46 THR CA . 53588 1
312 . 1 . 1 26 26 THR CB C 13 68.161 0.000 . 1 . . . . . 46 THR CB . 53588 1
313 . 1 . 1 26 26 THR CG2 C 13 21.071 0.069 . 1 . . . . . 46 THR CG2 . 53588 1
314 . 1 . 1 26 26 THR N N 15 108.841 0.009 . 1 . . . . . 46 THR N . 53588 1
315 . 1 . 1 27 27 ASP H H 1 7.849 0.002 . 1 . . . . . 47 ASP H . 53588 1
316 . 1 . 1 27 27 ASP HA H 1 4.614 0.003 . 1 . . . . . 47 ASP HA . 53588 1
317 . 1 . 1 27 27 ASP HB2 H 1 2.869 0.005 . 2 . . . . . 47 ASP HB2 . 53588 1
318 . 1 . 1 27 27 ASP HB3 H 1 2.644 0.006 . 2 . . . . . 47 ASP HB3 . 53588 1
319 . 1 . 1 27 27 ASP C C 13 175.409 0.000 . 1 . . . . . 47 ASP C . 53588 1
320 . 1 . 1 27 27 ASP CA C 13 53.396 0.020 . 1 . . . . . 47 ASP CA . 53588 1
321 . 1 . 1 27 27 ASP CB C 13 42.308 0.046 . 1 . . . . . 47 ASP CB . 53588 1
322 . 1 . 1 27 27 ASP N N 15 119.643 0.002 . 1 . . . . . 47 ASP N . 53588 1
323 . 1 . 1 28 28 ALA H H 1 8.791 0.002 . 1 . . . . . 48 ALA H . 53588 1
324 . 1 . 1 28 28 ALA HA H 1 4.066 0.010 . 1 . . . . . 48 ALA HA . 53588 1
325 . 1 . 1 28 28 ALA HB1 H 1 1.451 0.015 . 1 . . . . . 48 ALA HB1 . 53588 1
326 . 1 . 1 28 28 ALA HB2 H 1 1.451 0.015 . 1 . . . . . 48 ALA HB2 . 53588 1
327 . 1 . 1 28 28 ALA HB3 H 1 1.451 0.015 . 1 . . . . . 48 ALA HB3 . 53588 1
328 . 1 . 1 28 28 ALA C C 13 180.329 0.000 . 1 . . . . . 48 ALA C . 53588 1
329 . 1 . 1 28 28 ALA CA C 13 55.361 0.060 . 1 . . . . . 48 ALA CA . 53588 1
330 . 1 . 1 28 28 ALA CB C 13 18.671 0.043 . 1 . . . . . 48 ALA CB . 53588 1
331 . 1 . 1 28 28 ALA N N 15 122.928 0.002 . 1 . . . . . 48 ALA N . 53588 1
332 . 1 . 1 29 29 GLU H H 1 8.177 0.002 . 1 . . . . . 49 GLU H . 53588 1
333 . 1 . 1 29 29 GLU HA H 1 4.036 0.006 . 1 . . . . . 49 GLU HA . 53588 1
334 . 1 . 1 29 29 GLU HB2 H 1 2.039 0.013 . 2 . . . . . 49 GLU HB2 . 53588 1
335 . 1 . 1 29 29 GLU HB3 H 1 2.058 0.000 . 2 . . . . . 49 GLU HB3 . 53588 1
336 . 1 . 1 29 29 GLU HG2 H 1 2.143 0.007 . 2 . . . . . 49 GLU HG2 . 53588 1
337 . 1 . 1 29 29 GLU HG3 H 1 2.330 0.005 . 2 . . . . . 49 GLU HG3 . 53588 1
338 . 1 . 1 29 29 GLU C C 13 179.392 0.002 . 1 . . . . . 49 GLU C . 53588 1
339 . 1 . 1 29 29 GLU CA C 13 59.775 0.110 . 1 . . . . . 49 GLU CA . 53588 1
340 . 1 . 1 29 29 GLU CB C 13 29.617 0.038 . 1 . . . . . 49 GLU CB . 53588 1
341 . 1 . 1 29 29 GLU CG C 13 37.216 0.044 . 1 . . . . . 49 GLU CG . 53588 1
342 . 1 . 1 29 29 GLU N N 15 119.498 0.055 . 1 . . . . . 49 GLU N . 53588 1
343 . 1 . 1 30 30 THR H H 1 8.607 0.004 . 1 . . . . . 50 THR H . 53588 1
344 . 1 . 1 30 30 THR HA H 1 3.454 0.005 . 1 . . . . . 50 THR HA . 53588 1
345 . 1 . 1 30 30 THR HB H 1 3.987 0.010 . 1 . . . . . 50 THR HB . 53588 1
346 . 1 . 1 30 30 THR HG21 H 1 1.171 0.006 . 1 . . . . . 50 THR HG21 . 53588 1
347 . 1 . 1 30 30 THR HG22 H 1 1.171 0.006 . 1 . . . . . 50 THR HG22 . 53588 1
348 . 1 . 1 30 30 THR HG23 H 1 1.171 0.006 . 1 . . . . . 50 THR HG23 . 53588 1
349 . 1 . 1 30 30 THR C C 13 176.225 0.000 . 1 . . . . . 50 THR C . 53588 1
350 . 1 . 1 30 30 THR CA C 13 67.573 0.023 . 1 . . . . . 50 THR CA . 53588 1
351 . 1 . 1 30 30 THR CB C 13 68.128 0.059 . 1 . . . . . 50 THR CB . 53588 1
352 . 1 . 1 30 30 THR CG2 C 13 25.232 0.008 . 1 . . . . . 50 THR CG2 . 53588 1
353 . 1 . 1 30 30 THR N N 15 121.731 0.117 . 1 . . . . . 50 THR N . 53588 1
354 . 1 . 1 31 31 GLU H H 1 8.053 0.002 . 1 . . . . . 51 GLU H . 53588 1
355 . 1 . 1 31 31 GLU HA H 1 3.711 0.005 . 1 . . . . . 51 GLU HA . 53588 1
356 . 1 . 1 31 31 GLU HB2 H 1 1.928 0.012 . 2 . . . . . 51 GLU HB2 . 53588 1
357 . 1 . 1 31 31 GLU HB3 H 1 1.909 0.016 . 2 . . . . . 51 GLU HB3 . 53588 1
358 . 1 . 1 31 31 GLU HG2 H 1 1.930 0.004 . 2 . . . . . 51 GLU HG2 . 53588 1
359 . 1 . 1 31 31 GLU HG3 H 1 2.313 0.001 . 2 . . . . . 51 GLU HG3 . 53588 1
360 . 1 . 1 31 31 GLU C C 13 179.161 0.000 . 1 . . . . . 51 GLU C . 53588 1
361 . 1 . 1 31 31 GLU CA C 13 60.591 0.019 . 1 . . . . . 51 GLU CA . 53588 1
362 . 1 . 1 31 31 GLU CB C 13 29.286 0.072 . 1 . . . . . 51 GLU CB . 53588 1
363 . 1 . 1 31 31 GLU CG C 13 36.627 0.081 . 1 . . . . . 51 GLU CG . 53588 1
364 . 1 . 1 31 31 GLU N N 15 118.575 0.004 . 1 . . . . . 51 GLU N . 53588 1
365 . 1 . 1 32 32 LYS H H 1 7.882 0.003 . 1 . . . . . 52 LYS H . 53588 1
366 . 1 . 1 32 32 LYS HA H 1 4.086 0.009 . 1 . . . . . 52 LYS HA . 53588 1
367 . 1 . 1 32 32 LYS HB2 H 1 1.927 0.007 . 2 . . . . . 52 LYS HB2 . 53588 1
368 . 1 . 1 32 32 LYS HB3 H 1 1.871 0.000 . 2 . . . . . 52 LYS HB3 . 53588 1
369 . 1 . 1 32 32 LYS C C 13 176.718 0.000 . 1 . . . . . 52 LYS C . 53588 1
370 . 1 . 1 32 32 LYS CA C 13 58.991 0.082 . 1 . . . . . 52 LYS CA . 53588 1
371 . 1 . 1 32 32 LYS CB C 13 32.369 0.000 . 1 . . . . . 52 LYS CB . 53588 1
372 . 1 . 1 32 32 LYS CG C 13 24.874 0.000 . 1 . . . . . 52 LYS CG . 53588 1
373 . 1 . 1 32 32 LYS N N 15 121.151 0.035 . 1 . . . . . 52 LYS N . 53588 1
374 . 1 . 1 33 33 LEU H H 1 7.472 0.002 . 1 . . . . . 53 LEU H . 53588 1
375 . 1 . 1 33 33 LEU HA H 1 4.213 0.005 . 1 . . . . . 53 LEU HA . 53588 1
376 . 1 . 1 33 33 LEU HB2 H 1 1.884 0.005 . 2 . . . . . 53 LEU HB2 . 53588 1
377 . 1 . 1 33 33 LEU HB3 H 1 1.592 0.011 . 2 . . . . . 53 LEU HB3 . 53588 1
378 . 1 . 1 33 33 LEU HG H 1 1.514 0.005 . 1 . . . . . 53 LEU HG . 53588 1
379 . 1 . 1 33 33 LEU HD11 H 1 0.639 0.007 . 2 . . . . . 53 LEU HD11 . 53588 1
380 . 1 . 1 33 33 LEU HD12 H 1 0.639 0.007 . 2 . . . . . 53 LEU HD12 . 53588 1
381 . 1 . 1 33 33 LEU HD13 H 1 0.639 0.007 . 2 . . . . . 53 LEU HD13 . 53588 1
382 . 1 . 1 33 33 LEU HD21 H 1 0.822 0.009 . 2 . . . . . 53 LEU HD21 . 53588 1
383 . 1 . 1 33 33 LEU HD22 H 1 0.822 0.009 . 2 . . . . . 53 LEU HD22 . 53588 1
384 . 1 . 1 33 33 LEU HD23 H 1 0.822 0.009 . 2 . . . . . 53 LEU HD23 . 53588 1
385 . 1 . 1 33 33 LEU C C 13 178.471 0.000 . 1 . . . . . 53 LEU C . 53588 1
386 . 1 . 1 33 33 LEU CA C 13 58.572 0.111 . 1 . . . . . 53 LEU CA . 53588 1
387 . 1 . 1 33 33 LEU CB C 13 41.803 0.028 . 1 . . . . . 53 LEU CB . 53588 1
388 . 1 . 1 33 33 LEU CG C 13 26.669 0.000 . 1 . . . . . 53 LEU CG . 53588 1
389 . 1 . 1 33 33 LEU CD1 C 13 26.799 0.000 . 2 . . . . . 53 LEU CD1 . 53588 1
390 . 1 . 1 33 33 LEU CD2 C 13 24.774 0.027 . 2 . . . . . 53 LEU CD2 . 53588 1
391 . 1 . 1 33 33 LEU N N 15 120.517 0.002 . 1 . . . . . 53 LEU N . 53588 1
392 . 1 . 1 34 34 VAL H H 1 8.057 0.003 . 1 . . . . . 54 VAL H . 53588 1
393 . 1 . 1 34 34 VAL HA H 1 3.285 0.008 . 1 . . . . . 54 VAL HA . 53588 1
394 . 1 . 1 34 34 VAL HB H 1 2.014 0.010 . 1 . . . . . 54 VAL HB . 53588 1
395 . 1 . 1 34 34 VAL HG11 H 1 0.828 0.006 . 2 . . . . . 54 VAL HG11 . 53588 1
396 . 1 . 1 34 34 VAL HG12 H 1 0.828 0.006 . 2 . . . . . 54 VAL HG12 . 53588 1
397 . 1 . 1 34 34 VAL HG13 H 1 0.828 0.006 . 2 . . . . . 54 VAL HG13 . 53588 1
398 . 1 . 1 34 34 VAL HG21 H 1 0.898 0.006 . 2 . . . . . 54 VAL HG21 . 53588 1
399 . 1 . 1 34 34 VAL HG22 H 1 0.898 0.006 . 2 . . . . . 54 VAL HG22 . 53588 1
400 . 1 . 1 34 34 VAL HG23 H 1 0.898 0.006 . 2 . . . . . 54 VAL HG23 . 53588 1
401 . 1 . 1 34 34 VAL C C 13 176.915 0.000 . 1 . . . . . 54 VAL C . 53588 1
402 . 1 . 1 34 34 VAL CA C 13 67.212 0.024 . 1 . . . . . 54 VAL CA . 53588 1
403 . 1 . 1 34 34 VAL CB C 13 31.859 0.090 . 1 . . . . . 54 VAL CB . 53588 1
404 . 1 . 1 34 34 VAL CG1 C 13 21.629 0.016 . 2 . . . . . 54 VAL CG1 . 53588 1
405 . 1 . 1 34 34 VAL CG2 C 13 25.560 0.046 . 2 . . . . . 54 VAL CG2 . 53588 1
406 . 1 . 1 34 34 VAL N N 15 117.094 0.015 . 1 . . . . . 54 VAL N . 53588 1
407 . 1 . 1 35 35 ALA H H 1 7.913 0.003 . 1 . . . . . 55 ALA H . 53588 1
408 . 1 . 1 35 35 ALA HA H 1 4.092 0.005 . 1 . . . . . 55 ALA HA . 53588 1
409 . 1 . 1 35 35 ALA HB1 H 1 1.502 0.017 . 1 . . . . . 55 ALA HB1 . 53588 1
410 . 1 . 1 35 35 ALA HB2 H 1 1.502 0.017 . 1 . . . . . 55 ALA HB2 . 53588 1
411 . 1 . 1 35 35 ALA HB3 H 1 1.502 0.017 . 1 . . . . . 55 ALA HB3 . 53588 1
412 . 1 . 1 35 35 ALA C C 13 181.417 0.000 . 1 . . . . . 55 ALA C . 53588 1
413 . 1 . 1 35 35 ALA CA C 13 55.098 0.050 . 1 . . . . . 55 ALA CA . 53588 1
414 . 1 . 1 35 35 ALA CB C 13 18.202 0.083 . 1 . . . . . 55 ALA CB . 53588 1
415 . 1 . 1 35 35 ALA N N 15 120.801 0.010 . 1 . . . . . 55 ALA N . 53588 1
416 . 1 . 1 36 36 ASP H H 1 8.818 0.002 . 1 . . . . . 56 ASP H . 53588 1
417 . 1 . 1 36 36 ASP HA H 1 4.399 0.007 . 1 . . . . . 56 ASP HA . 53588 1
418 . 1 . 1 36 36 ASP HB2 H 1 2.909 0.007 . 2 . . . . . 56 ASP HB2 . 53588 1
419 . 1 . 1 36 36 ASP HB3 H 1 2.642 0.007 . 2 . . . . . 56 ASP HB3 . 53588 1
420 . 1 . 1 36 36 ASP C C 13 179.862 0.000 . 1 . . . . . 56 ASP C . 53588 1
421 . 1 . 1 36 36 ASP CA C 13 57.254 0.071 . 1 . . . . . 56 ASP CA . 53588 1
422 . 1 . 1 36 36 ASP CB C 13 39.891 0.028 . 1 . . . . . 56 ASP CB . 53588 1
423 . 1 . 1 36 36 ASP N N 15 120.646 0.002 . 1 . . . . . 56 ASP N . 53588 1
424 . 1 . 1 37 37 ILE H H 1 8.893 0.002 . 1 . . . . . 57 ILE H . 53588 1
425 . 1 . 1 37 37 ILE HA H 1 3.719 0.004 . 1 . . . . . 57 ILE HA . 53588 1
426 . 1 . 1 37 37 ILE HB H 1 1.936 0.008 . 1 . . . . . 57 ILE HB . 53588 1
427 . 1 . 1 37 37 ILE HG12 H 1 1.743 0.006 . 2 . . . . . 57 ILE HG12 . 53588 1
428 . 1 . 1 37 37 ILE HG13 H 1 1.315 0.012 . 2 . . . . . 57 ILE HG13 . 53588 1
429 . 1 . 1 37 37 ILE HG21 H 1 0.838 0.007 . 1 . . . . . 57 ILE HG21 . 53588 1
430 . 1 . 1 37 37 ILE HG22 H 1 0.838 0.007 . 1 . . . . . 57 ILE HG22 . 53588 1
431 . 1 . 1 37 37 ILE HG23 H 1 0.838 0.007 . 1 . . . . . 57 ILE HG23 . 53588 1
432 . 1 . 1 37 37 ILE HD11 H 1 0.848 0.004 . 1 . . . . . 57 ILE HD11 . 53588 1
433 . 1 . 1 37 37 ILE HD12 H 1 0.848 0.004 . 1 . . . . . 57 ILE HD12 . 53588 1
434 . 1 . 1 37 37 ILE HD13 H 1 0.848 0.004 . 1 . . . . . 57 ILE HD13 . 53588 1
435 . 1 . 1 37 37 ILE C C 13 179.029 0.000 . 1 . . . . . 57 ILE C . 53588 1
436 . 1 . 1 37 37 ILE CA C 13 64.776 0.031 . 1 . . . . . 57 ILE CA . 53588 1
437 . 1 . 1 37 37 ILE CB C 13 36.812 0.193 . 1 . . . . . 57 ILE CB . 53588 1
438 . 1 . 1 37 37 ILE CG1 C 13 29.364 0.055 . 1 . . . . . 57 ILE CG1 . 53588 1
439 . 1 . 1 37 37 ILE CG2 C 13 18.029 0.045 . 1 . . . . . 57 ILE CG2 . 53588 1
440 . 1 . 1 37 37 ILE CD1 C 13 13.483 0.031 . 1 . . . . . 57 ILE CD1 . 53588 1
441 . 1 . 1 37 37 ILE N N 15 121.562 0.012 . 1 . . . . . 57 ILE N . 53588 1
442 . 1 . 1 38 38 ASN H H 1 8.927 0.003 . 1 . . . . . 58 ASN H . 53588 1
443 . 1 . 1 38 38 ASN HA H 1 4.721 0.010 . 1 . . . . . 58 ASN HA . 53588 1
444 . 1 . 1 38 38 ASN HB2 H 1 3.172 0.003 . 2 . . . . . 58 ASN HB2 . 53588 1
445 . 1 . 1 38 38 ASN HB3 H 1 2.661 0.004 . 2 . . . . . 58 ASN HB3 . 53588 1
446 . 1 . 1 38 38 ASN HD21 H 1 7.484 0.002 . 1 . . . . . 58 ASN HD21 . 53588 1
447 . 1 . 1 38 38 ASN HD22 H 1 7.952 0.001 . 1 . . . . . 58 ASN HD22 . 53588 1
448 . 1 . 1 38 38 ASN C C 13 178.701 0.000 . 1 . . . . . 58 ASN C . 53588 1
449 . 1 . 1 38 38 ASN CA C 13 55.923 0.079 . 1 . . . . . 58 ASN CA . 53588 1
450 . 1 . 1 38 38 ASN CB C 13 36.578 0.009 . 1 . . . . . 58 ASN CB . 53588 1
451 . 1 . 1 38 38 ASN N N 15 119.245 0.021 . 1 . . . . . 58 ASN N . 53588 1
452 . 1 . 1 38 38 ASN ND2 N 15 110.307 0.003 . 1 . . . . . 58 ASN ND2 . 53588 1
453 . 1 . 1 39 39 ALA H H 1 7.922 0.002 . 1 . . . . . 59 ALA H . 53588 1
454 . 1 . 1 39 39 ALA HA H 1 4.229 0.008 . 1 . . . . . 59 ALA HA . 53588 1
455 . 1 . 1 39 39 ALA HB1 H 1 1.593 0.007 . 1 . . . . . 59 ALA HB1 . 53588 1
456 . 1 . 1 39 39 ALA HB2 H 1 1.593 0.007 . 1 . . . . . 59 ALA HB2 . 53588 1
457 . 1 . 1 39 39 ALA HB3 H 1 1.593 0.007 . 1 . . . . . 59 ALA HB3 . 53588 1
458 . 1 . 1 39 39 ALA C C 13 181.045 0.000 . 1 . . . . . 59 ALA C . 53588 1
459 . 1 . 1 39 39 ALA CA C 13 55.567 0.022 . 1 . . . . . 59 ALA CA . 53588 1
460 . 1 . 1 39 39 ALA CB C 13 17.948 0.055 . 1 . . . . . 59 ALA CB . 53588 1
461 . 1 . 1 39 39 ALA N N 15 122.855 0.017 . 1 . . . . . 59 ALA N . 53588 1
462 . 1 . 1 40 40 GLU H H 1 7.465 0.002 . 1 . . . . . 60 GLU H . 53588 1
463 . 1 . 1 40 40 GLU HA H 1 4.273 0.008 . 1 . . . . . 60 GLU HA . 53588 1
464 . 1 . 1 40 40 GLU HB2 H 1 2.068 0.008 . 2 . . . . . 60 GLU HB2 . 53588 1
465 . 1 . 1 40 40 GLU HB3 H 1 2.092 0.023 . 2 . . . . . 60 GLU HB3 . 53588 1
466 . 1 . 1 40 40 GLU HG2 H 1 2.392 0.016 . 2 . . . . . 60 GLU HG2 . 53588 1
467 . 1 . 1 40 40 GLU HG3 H 1 2.338 0.032 . 2 . . . . . 60 GLU HG3 . 53588 1
468 . 1 . 1 40 40 GLU C C 13 180.248 0.000 . 1 . . . . . 60 GLU C . 53588 1
469 . 1 . 1 40 40 GLU CA C 13 58.849 0.015 . 1 . . . . . 60 GLU CA . 53588 1
470 . 1 . 1 40 40 GLU CB C 13 30.732 0.034 . 1 . . . . . 60 GLU CB . 53588 1
471 . 1 . 1 40 40 GLU CG C 13 36.386 0.026 . 1 . . . . . 60 GLU CG . 53588 1
472 . 1 . 1 40 40 GLU N N 15 119.975 0.076 . 1 . . . . . 60 GLU N . 53588 1
473 . 1 . 1 41 41 ARG H H 1 9.504 0.004 . 1 . . . . . 61 ARG H . 53588 1
474 . 1 . 1 41 41 ARG HA H 1 3.433 0.016 . 1 . . . . . 61 ARG HA . 53588 1
475 . 1 . 1 41 41 ARG HD2 H 1 3.403 0.005 . 2 . . . . . 61 ARG HD2 . 53588 1
476 . 1 . 1 41 41 ARG HD3 H 1 3.250 0.023 . 2 . . . . . 61 ARG HD3 . 53588 1
477 . 1 . 1 41 41 ARG HE H 1 5.383 0.002 . 1 . . . . . 61 ARG HE . 53588 1
478 . 1 . 1 41 41 ARG HH11 H 1 9.750 0.000 . 1 . . . . . 61 ARG HH11 . 53588 1
479 . 1 . 1 41 41 ARG HH12 H 1 5.746 0.000 . 1 . . . . . 61 ARG HH12 . 53588 1
480 . 1 . 1 41 41 ARG HH21 H 1 10.550 0.000 . 1 . . . . . 61 ARG HH21 . 53588 1
481 . 1 . 1 41 41 ARG HH22 H 1 6.900 0.000 . 1 . . . . . 61 ARG HH22 . 53588 1
482 . 1 . 1 41 41 ARG C C 13 176.432 0.000 . 1 . . . . . 61 ARG C . 53588 1
483 . 1 . 1 41 41 ARG CA C 13 60.942 0.029 . 1 . . . . . 61 ARG CA . 53588 1
484 . 1 . 1 41 41 ARG CB C 13 30.950 0.000 . 1 . . . . . 61 ARG CB . 53588 1
485 . 1 . 1 41 41 ARG CG C 13 27.708 0.000 . 1 . . . . . 61 ARG CG . 53588 1
486 . 1 . 1 41 41 ARG CD C 13 43.614 0.091 . 1 . . . . . 61 ARG CD . 53588 1
487 . 1 . 1 41 41 ARG N N 15 122.386 0.037 . 1 . . . . . 61 ARG N . 53588 1
488 . 1 . 1 41 41 ARG NE N 15 80.467 0.049 . 1 . . . . . 61 ARG NE . 53588 1
489 . 1 . 1 41 41 ARG NH1 N 15 73.473 0.004 . 1 . . . . . 61 ARG NH1 . 53588 1
490 . 1 . 1 41 41 ARG NH2 N 15 74.755 0.001 . 1 . . . . . 61 ARG NH2 . 53588 1
491 . 1 . 1 42 42 LYS H H 1 8.497 0.002 . 1 . . . . . 62 LYS H . 53588 1
492 . 1 . 1 42 42 LYS HA H 1 4.191 0.008 . 1 . . . . . 62 LYS HA . 53588 1
493 . 1 . 1 42 42 LYS HB2 H 1 2.131 0.022 . 2 . . . . . 62 LYS HB2 . 53588 1
494 . 1 . 1 42 42 LYS HB3 H 1 1.975 0.000 . 2 . . . . . 62 LYS HB3 . 53588 1
495 . 1 . 1 42 42 LYS C C 13 178.267 0.000 . 1 . . . . . 62 LYS C . 53588 1
496 . 1 . 1 42 42 LYS CA C 13 60.307 0.106 . 1 . . . . . 62 LYS CA . 53588 1
497 . 1 . 1 42 42 LYS CB C 13 32.310 0.030 . 1 . . . . . 62 LYS CB . 53588 1
498 . 1 . 1 42 42 LYS N N 15 118.238 0.054 . 1 . . . . . 62 LYS N . 53588 1
499 . 1 . 1 43 43 ALA H H 1 7.512 0.004 . 1 . . . . . 63 ALA H . 53588 1
500 . 1 . 1 43 43 ALA HA H 1 4.285 0.008 . 1 . . . . . 63 ALA HA . 53588 1
501 . 1 . 1 43 43 ALA HB1 H 1 1.570 0.005 . 1 . . . . . 63 ALA HB1 . 53588 1
502 . 1 . 1 43 43 ALA HB2 H 1 1.570 0.005 . 1 . . . . . 63 ALA HB2 . 53588 1
503 . 1 . 1 43 43 ALA HB3 H 1 1.570 0.005 . 1 . . . . . 63 ALA HB3 . 53588 1
504 . 1 . 1 43 43 ALA C C 13 181.485 0.000 . 1 . . . . . 63 ALA C . 53588 1
505 . 1 . 1 43 43 ALA CA C 13 55.276 0.016 . 1 . . . . . 63 ALA CA . 53588 1
506 . 1 . 1 43 43 ALA CB C 13 17.885 0.044 . 1 . . . . . 63 ALA CB . 53588 1
507 . 1 . 1 43 43 ALA N N 15 119.910 0.002 . 1 . . . . . 63 ALA N . 53588 1
508 . 1 . 1 44 44 SER H H 1 8.032 0.003 . 1 . . . . . 64 SER H . 53588 1
509 . 1 . 1 44 44 SER HA H 1 4.362 0.009 . 1 . . . . . 64 SER HA . 53588 1
510 . 1 . 1 44 44 SER HB2 H 1 4.019 0.012 . 2 . . . . . 64 SER HB2 . 53588 1
511 . 1 . 1 44 44 SER HB3 H 1 4.006 0.015 . 2 . . . . . 64 SER HB3 . 53588 1
512 . 1 . 1 44 44 SER C C 13 177.082 0.000 . 1 . . . . . 64 SER C . 53588 1
513 . 1 . 1 44 44 SER CA C 13 63.253 0.008 . 1 . . . . . 64 SER CA . 53588 1
514 . 1 . 1 44 44 SER CB C 13 63.245 0.019 . 1 . . . . . 64 SER CB . 53588 1
515 . 1 . 1 44 44 SER N N 15 117.490 0.024 . 1 . . . . . 64 SER N . 53588 1
516 . 1 . 1 45 45 TYR H H 1 9.495 0.006 . 1 . . . . . 65 TYR H . 53588 1
517 . 1 . 1 45 45 TYR HA H 1 4.565 0.003 . 1 . . . . . 65 TYR HA . 53588 1
518 . 1 . 1 45 45 TYR HB2 H 1 3.363 0.009 . 2 . . . . . 65 TYR HB2 . 53588 1
519 . 1 . 1 45 45 TYR HB3 H 1 3.140 0.007 . 2 . . . . . 65 TYR HB3 . 53588 1
520 . 1 . 1 45 45 TYR HD1 H 1 7.253 0.002 . 3 . . . . . 65 TYR HD1 . 53588 1
521 . 1 . 1 45 45 TYR HD2 H 1 6.521 0.004 . 3 . . . . . 65 TYR HD2 . 53588 1
522 . 1 . 1 45 45 TYR HE1 H 1 5.835 0.001 . 3 . . . . . 65 TYR HE1 . 53588 1
523 . 1 . 1 45 45 TYR HE2 H 1 6.410 0.009 . 3 . . . . . 65 TYR HE2 . 53588 1
524 . 1 . 1 45 45 TYR HH H 1 9.199 0.001 . 1 . . . . . 65 TYR HH . 53588 1
525 . 1 . 1 45 45 TYR C C 13 179.326 0.000 . 1 . . . . . 65 TYR C . 53588 1
526 . 1 . 1 45 45 TYR CA C 13 57.271 0.047 . 1 . . . . . 65 TYR CA . 53588 1
527 . 1 . 1 45 45 TYR CB C 13 36.733 0.061 . 1 . . . . . 65 TYR CB . 53588 1
528 . 1 . 1 45 45 TYR CD1 C 13 134.453 0.018 . 3 . . . . . 65 TYR CD1 . 53588 1
529 . 1 . 1 45 45 TYR CD2 C 13 127.350 0.018 . 3 . . . . . 65 TYR CD2 . 53588 1
530 . 1 . 1 45 45 TYR CE1 C 13 117.565 0.000 . 3 . . . . . 65 TYR CE1 . 53588 1
531 . 1 . 1 45 45 TYR CE2 C 13 116.730 0.000 . 3 . . . . . 65 TYR CE2 . 53588 1
532 . 1 . 1 45 45 TYR N N 15 124.013 0.009 . 1 . . . . . 65 TYR N . 53588 1
533 . 1 . 1 46 46 GLN H H 1 9.118 0.004 . 1 . . . . . 66 GLN H . 53588 1
534 . 1 . 1 46 46 GLN HA H 1 4.078 0.009 . 1 . . . . . 66 GLN HA . 53588 1
535 . 1 . 1 46 46 GLN HB2 H 1 2.175 0.006 . 2 . . . . . 66 GLN HB2 . 53588 1
536 . 1 . 1 46 46 GLN HB3 H 1 2.471 0.013 . 2 . . . . . 66 GLN HB3 . 53588 1
537 . 1 . 1 46 46 GLN HG2 H 1 2.497 0.003 . 2 . . . . . 66 GLN HG2 . 53588 1
538 . 1 . 1 46 46 GLN HG3 H 1 2.691 0.006 . 2 . . . . . 66 GLN HG3 . 53588 1
539 . 1 . 1 46 46 GLN HE21 H 1 7.029 0.001 . 1 . . . . . 66 GLN HE21 . 53588 1
540 . 1 . 1 46 46 GLN HE22 H 1 7.494 0.003 . 1 . . . . . 66 GLN HE22 . 53588 1
541 . 1 . 1 46 46 GLN C C 13 178.843 0.000 . 1 . . . . . 66 GLN C . 53588 1
542 . 1 . 1 46 46 GLN CA C 13 59.257 0.041 . 1 . . . . . 66 GLN CA . 53588 1
543 . 1 . 1 46 46 GLN CB C 13 28.562 0.054 . 1 . . . . . 66 GLN CB . 53588 1
544 . 1 . 1 46 46 GLN CG C 13 34.688 0.049 . 1 . . . . . 66 GLN CG . 53588 1
545 . 1 . 1 46 46 GLN N N 15 119.231 0.021 . 1 . . . . . 66 GLN N . 53588 1
546 . 1 . 1 46 46 GLN NE2 N 15 111.641 0.030 . 1 . . . . . 66 GLN NE2 . 53588 1
547 . 1 . 1 47 47 GLN H H 1 7.752 0.005 . 1 . . . . . 67 GLN H . 53588 1
548 . 1 . 1 47 47 GLN HA H 1 4.221 0.006 . 1 . . . . . 67 GLN HA . 53588 1
549 . 1 . 1 47 47 GLN HB2 H 1 2.336 0.009 . 1 . . . . . 67 GLN HB2 . 53588 1
550 . 1 . 1 47 47 GLN HB3 H 1 2.336 0.009 . 1 . . . . . 67 GLN HB3 . 53588 1
551 . 1 . 1 47 47 GLN HG2 H 1 2.510 0.005 . 1 . . . . . 67 GLN HG2 . 53588 1
552 . 1 . 1 47 47 GLN HG3 H 1 2.510 0.005 . 1 . . . . . 67 GLN HG3 . 53588 1
553 . 1 . 1 47 47 GLN HE21 H 1 6.952 0.000 . 1 . . . . . 67 GLN HE21 . 53588 1
554 . 1 . 1 47 47 GLN HE22 H 1 7.612 0.000 . 1 . . . . . 67 GLN HE22 . 53588 1
555 . 1 . 1 47 47 GLN C C 13 178.824 0.000 . 1 . . . . . 67 GLN C . 53588 1
556 . 1 . 1 47 47 GLN CA C 13 59.017 0.025 . 1 . . . . . 67 GLN CA . 53588 1
557 . 1 . 1 47 47 GLN CB C 13 27.966 0.026 . 1 . . . . . 67 GLN CB . 53588 1
558 . 1 . 1 47 47 GLN CG C 13 33.374 0.022 . 1 . . . . . 67 GLN CG . 53588 1
559 . 1 . 1 47 47 GLN N N 15 120.599 0.027 . 1 . . . . . 67 GLN N . 53588 1
560 . 1 . 1 47 47 GLN NE2 N 15 112.599 0.004 . 1 . . . . . 67 GLN NE2 . 53588 1
561 . 1 . 1 48 48 LEU H H 1 7.881 0.002 . 1 . . . . . 68 LEU H . 53588 1
562 . 1 . 1 48 48 LEU HA H 1 4.082 0.015 . 1 . . . . . 68 LEU HA . 53588 1
563 . 1 . 1 48 48 LEU HB2 H 1 2.128 0.009 . 2 . . . . . 68 LEU HB2 . 53588 1
564 . 1 . 1 48 48 LEU HB3 H 1 1.318 0.010 . 2 . . . . . 68 LEU HB3 . 53588 1
565 . 1 . 1 48 48 LEU HG H 1 1.992 0.013 . 1 . . . . . 68 LEU HG . 53588 1
566 . 1 . 1 48 48 LEU HD11 H 1 0.899 0.005 . 2 . . . . . 68 LEU HD11 . 53588 1
567 . 1 . 1 48 48 LEU HD12 H 1 0.899 0.005 . 2 . . . . . 68 LEU HD12 . 53588 1
568 . 1 . 1 48 48 LEU HD13 H 1 0.899 0.005 . 2 . . . . . 68 LEU HD13 . 53588 1
569 . 1 . 1 48 48 LEU HD21 H 1 0.946 0.006 . 2 . . . . . 68 LEU HD21 . 53588 1
570 . 1 . 1 48 48 LEU HD22 H 1 0.946 0.006 . 2 . . . . . 68 LEU HD22 . 53588 1
571 . 1 . 1 48 48 LEU HD23 H 1 0.946 0.006 . 2 . . . . . 68 LEU HD23 . 53588 1
572 . 1 . 1 48 48 LEU C C 13 179.974 0.000 . 1 . . . . . 68 LEU C . 53588 1
573 . 1 . 1 48 48 LEU CA C 13 58.001 0.165 . 1 . . . . . 68 LEU CA . 53588 1
574 . 1 . 1 48 48 LEU CB C 13 42.623 0.038 . 1 . . . . . 68 LEU CB . 53588 1
575 . 1 . 1 48 48 LEU CG C 13 28.058 0.036 . 1 . . . . . 68 LEU CG . 53588 1
576 . 1 . 1 48 48 LEU CD1 C 13 24.105 0.016 . 2 . . . . . 68 LEU CD1 . 53588 1
577 . 1 . 1 48 48 LEU CD2 C 13 26.404 0.036 . 2 . . . . . 68 LEU CD2 . 53588 1
578 . 1 . 1 48 48 LEU N N 15 118.526 0.108 . 1 . . . . . 68 LEU N . 53588 1
579 . 1 . 1 49 49 ALA H H 1 8.837 0.003 . 1 . . . . . 69 ALA H . 53588 1
580 . 1 . 1 49 49 ALA HA H 1 3.821 0.007 . 1 . . . . . 69 ALA HA . 53588 1
581 . 1 . 1 49 49 ALA HB1 H 1 1.545 0.012 . 1 . . . . . 69 ALA HB1 . 53588 1
582 . 1 . 1 49 49 ALA HB2 H 1 1.545 0.012 . 1 . . . . . 69 ALA HB2 . 53588 1
583 . 1 . 1 49 49 ALA HB3 H 1 1.545 0.012 . 1 . . . . . 69 ALA HB3 . 53588 1
584 . 1 . 1 49 49 ALA C C 13 179.447 0.000 . 1 . . . . . 69 ALA C . 53588 1
585 . 1 . 1 49 49 ALA CA C 13 55.529 0.031 . 1 . . . . . 69 ALA CA . 53588 1
586 . 1 . 1 49 49 ALA CB C 13 17.794 0.061 . 1 . . . . . 69 ALA CB . 53588 1
587 . 1 . 1 49 49 ALA N N 15 125.594 0.023 . 1 . . . . . 69 ALA N . 53588 1
588 . 1 . 1 50 50 LYS H H 1 7.882 0.002 . 1 . . . . . 70 LYS H . 53588 1
589 . 1 . 1 50 50 LYS HA H 1 4.209 0.006 . 1 . . . . . 70 LYS HA . 53588 1
590 . 1 . 1 50 50 LYS HB2 H 1 2.029 0.011 . 1 . . . . . 70 LYS HB2 . 53588 1
591 . 1 . 1 50 50 LYS HB3 H 1 2.029 0.011 . 1 . . . . . 70 LYS HB3 . 53588 1
592 . 1 . 1 50 50 LYS C C 13 180.220 0.000 . 1 . . . . . 70 LYS C . 53588 1
593 . 1 . 1 50 50 LYS CA C 13 58.973 0.032 . 1 . . . . . 70 LYS CA . 53588 1
594 . 1 . 1 50 50 LYS CB C 13 32.158 0.002 . 1 . . . . . 70 LYS CB . 53588 1
595 . 1 . 1 50 50 LYS N N 15 118.424 0.024 . 1 . . . . . 70 LYS N . 53588 1
596 . 1 . 1 51 51 GLN H H 1 7.905 0.003 . 1 . . . . . 71 GLN H . 53588 1
597 . 1 . 1 51 51 GLN HA H 1 4.179 0.008 . 1 . . . . . 71 GLN HA . 53588 1
598 . 1 . 1 51 51 GLN HB2 H 1 2.178 0.005 . 1 . . . . . 71 GLN HB2 . 53588 1
599 . 1 . 1 51 51 GLN HG2 H 1 2.517 0.007 . 2 . . . . . 71 GLN HG2 . 53588 1
600 . 1 . 1 51 51 GLN HG3 H 1 2.433 0.007 . 2 . . . . . 71 GLN HG3 . 53588 1
601 . 1 . 1 51 51 GLN HE21 H 1 7.457 0.002 . 1 . . . . . 71 GLN HE21 . 53588 1
602 . 1 . 1 51 51 GLN HE22 H 1 7.087 0.002 . 1 . . . . . 71 GLN HE22 . 53588 1
603 . 1 . 1 51 51 GLN C C 13 176.726 0.000 . 1 . . . . . 71 GLN C . 53588 1
604 . 1 . 1 51 51 GLN CA C 13 58.186 0.079 . 1 . . . . . 71 GLN CA . 53588 1
605 . 1 . 1 51 51 GLN CB C 13 29.093 0.017 . 1 . . . . . 71 GLN CB . 53588 1
606 . 1 . 1 51 51 GLN CG C 13 34.005 0.043 . 1 . . . . . 71 GLN CG . 53588 1
607 . 1 . 1 51 51 GLN N N 15 116.824 0.002 . 1 . . . . . 71 GLN N . 53588 1
608 . 1 . 1 51 51 GLN NE2 N 15 112.486 0.022 . 1 . . . . . 71 GLN NE2 . 53588 1
609 . 1 . 1 52 52 ASN H H 1 7.580 0.003 . 1 . . . . . 72 ASN H . 53588 1
610 . 1 . 1 52 52 ASN HA H 1 4.811 0.010 . 1 . . . . . 72 ASN HA . 53588 1
611 . 1 . 1 52 52 ASN HB2 H 1 2.519 0.004 . 2 . . . . . 72 ASN HB2 . 53588 1
612 . 1 . 1 52 52 ASN HB3 H 1 2.802 0.002 . 2 . . . . . 72 ASN HB3 . 53588 1
613 . 1 . 1 52 52 ASN HD21 H 1 8.889 0.000 . 1 . . . . . 72 ASN HD21 . 53588 1
614 . 1 . 1 52 52 ASN HD22 H 1 7.250 0.000 . 1 . . . . . 72 ASN HD22 . 53588 1
615 . 1 . 1 52 52 ASN C C 13 172.900 0.000 . 1 . . . . . 72 ASN C . 53588 1
616 . 1 . 1 52 52 ASN CA C 13 54.314 0.057 . 1 . . . . . 72 ASN CA . 53588 1
617 . 1 . 1 52 52 ASN CB C 13 41.269 0.009 . 1 . . . . . 72 ASN CB . 53588 1
618 . 1 . 1 52 52 ASN N N 15 113.938 0.021 . 1 . . . . . 72 ASN N . 53588 1
619 . 1 . 1 52 52 ASN ND2 N 15 114.234 0.003 . 1 . . . . . 72 ASN ND2 . 53588 1
620 . 1 . 1 53 53 ASN H H 1 7.981 0.002 . 1 . . . . . 73 ASN H . 53588 1
621 . 1 . 1 53 53 ASN HA H 1 4.483 0.004 . 1 . . . . . 73 ASN HA . 53588 1
622 . 1 . 1 53 53 ASN HB2 H 1 3.183 0.004 . 2 . . . . . 73 ASN HB2 . 53588 1
623 . 1 . 1 53 53 ASN HB3 H 1 2.755 0.009 . 2 . . . . . 73 ASN HB3 . 53588 1
624 . 1 . 1 53 53 ASN HD21 H 1 7.607 0.000 . 1 . . . . . 73 ASN HD21 . 53588 1
625 . 1 . 1 53 53 ASN HD22 H 1 6.846 0.000 . 1 . . . . . 73 ASN HD22 . 53588 1
626 . 1 . 1 53 53 ASN C C 13 174.298 0.000 . 1 . . . . . 73 ASN C . 53588 1
627 . 1 . 1 53 53 ASN CA C 13 54.579 0.023 . 1 . . . . . 73 ASN CA . 53588 1
628 . 1 . 1 53 53 ASN CB C 13 37.417 0.029 . 1 . . . . . 73 ASN CB . 53588 1
629 . 1 . 1 53 53 ASN N N 15 118.436 0.012 . 1 . . . . . 73 ASN N . 53588 1
630 . 1 . 1 53 53 ASN ND2 N 15 112.916 0.003 . 1 . . . . . 73 ASN ND2 . 53588 1
631 . 1 . 1 54 54 VAL H H 1 8.066 0.002 . 1 . . . . . 74 VAL H . 53588 1
632 . 1 . 1 54 54 VAL HA H 1 4.763 0.010 . 1 . . . . . 74 VAL HA . 53588 1
633 . 1 . 1 54 54 VAL HB H 1 2.594 0.004 . 1 . . . . . 74 VAL HB . 53588 1
634 . 1 . 1 54 54 VAL HG11 H 1 0.761 0.005 . 2 . . . . . 74 VAL HG11 . 53588 1
635 . 1 . 1 54 54 VAL HG12 H 1 0.761 0.005 . 2 . . . . . 74 VAL HG12 . 53588 1
636 . 1 . 1 54 54 VAL HG13 H 1 0.761 0.005 . 2 . . . . . 74 VAL HG13 . 53588 1
637 . 1 . 1 54 54 VAL HG21 H 1 0.905 0.009 . 2 . . . . . 74 VAL HG21 . 53588 1
638 . 1 . 1 54 54 VAL HG22 H 1 0.905 0.009 . 2 . . . . . 74 VAL HG22 . 53588 1
639 . 1 . 1 54 54 VAL HG23 H 1 0.905 0.009 . 2 . . . . . 74 VAL HG23 . 53588 1
640 . 1 . 1 54 54 VAL C C 13 174.630 0.000 . 1 . . . . . 74 VAL C . 53588 1
641 . 1 . 1 54 54 VAL CA C 13 59.191 0.066 . 1 . . . . . 74 VAL CA . 53588 1
642 . 1 . 1 54 54 VAL CB C 13 34.486 0.078 . 1 . . . . . 74 VAL CB . 53588 1
643 . 1 . 1 54 54 VAL CG1 C 13 19.165 0.002 . 2 . . . . . 74 VAL CG1 . 53588 1
644 . 1 . 1 54 54 VAL CG2 C 13 21.511 0.021 . 2 . . . . . 74 VAL CG2 . 53588 1
645 . 1 . 1 54 54 VAL N N 15 111.048 0.014 . 1 . . . . . 74 VAL N . 53588 1
646 . 1 . 1 55 55 SER H H 1 8.723 0.002 . 1 . . . . . 75 SER H . 53588 1
647 . 1 . 1 55 55 SER HA H 1 4.667 0.006 . 1 . . . . . 75 SER HA . 53588 1
648 . 1 . 1 55 55 SER HB2 H 1 4.264 0.007 . 2 . . . . . 75 SER HB2 . 53588 1
649 . 1 . 1 55 55 SER HB3 H 1 3.967 0.008 . 2 . . . . . 75 SER HB3 . 53588 1
650 . 1 . 1 55 55 SER C C 13 176.360 0.000 . 1 . . . . . 75 SER C . 53588 1
651 . 1 . 1 55 55 SER CA C 13 57.453 0.017 . 1 . . . . . 75 SER CA . 53588 1
652 . 1 . 1 55 55 SER CB C 13 65.113 0.061 . 1 . . . . . 75 SER CB . 53588 1
653 . 1 . 1 55 55 SER N N 15 115.815 0.034 . 1 . . . . . 75 SER N . 53588 1
654 . 1 . 1 56 56 VAL H H 1 8.905 0.002 . 1 . . . . . 76 VAL H . 53588 1
655 . 1 . 1 56 56 VAL HA H 1 3.584 0.005 . 1 . . . . . 76 VAL HA . 53588 1
656 . 1 . 1 56 56 VAL HB H 1 2.142 0.004 . 1 . . . . . 76 VAL HB . 53588 1
657 . 1 . 1 56 56 VAL HG11 H 1 1.118 0.006 . 2 . . . . . 76 VAL HG11 . 53588 1
658 . 1 . 1 56 56 VAL HG12 H 1 1.118 0.006 . 2 . . . . . 76 VAL HG12 . 53588 1
659 . 1 . 1 56 56 VAL HG13 H 1 1.118 0.006 . 2 . . . . . 76 VAL HG13 . 53588 1
660 . 1 . 1 56 56 VAL HG21 H 1 1.153 0.005 . 2 . . . . . 76 VAL HG21 . 53588 1
661 . 1 . 1 56 56 VAL HG22 H 1 1.153 0.005 . 2 . . . . . 76 VAL HG22 . 53588 1
662 . 1 . 1 56 56 VAL HG23 H 1 1.153 0.005 . 2 . . . . . 76 VAL HG23 . 53588 1
663 . 1 . 1 56 56 VAL C C 13 176.560 0.000 . 1 . . . . . 76 VAL C . 53588 1
664 . 1 . 1 56 56 VAL CA C 13 66.260 0.023 . 1 . . . . . 76 VAL CA . 53588 1
665 . 1 . 1 56 56 VAL CB C 13 31.363 0.015 . 1 . . . . . 76 VAL CB . 53588 1
666 . 1 . 1 56 56 VAL CG1 C 13 20.539 0.088 . 2 . . . . . 76 VAL CG1 . 53588 1
667 . 1 . 1 56 56 VAL CG2 C 13 23.527 0.048 . 2 . . . . . 76 VAL CG2 . 53588 1
668 . 1 . 1 56 56 VAL N N 15 123.591 0.003 . 1 . . . . . 76 VAL N . 53588 1
669 . 1 . 1 57 57 ASP H H 1 7.920 0.002 . 1 . . . . . 77 ASP H . 53588 1
670 . 1 . 1 57 57 ASP HA H 1 4.509 0.014 . 1 . . . . . 77 ASP HA . 53588 1
671 . 1 . 1 57 57 ASP HB2 H 1 2.553 0.006 . 2 . . . . . 77 ASP HB2 . 53588 1
672 . 1 . 1 57 57 ASP HB3 H 1 2.661 0.010 . 2 . . . . . 77 ASP HB3 . 53588 1
673 . 1 . 1 57 57 ASP C C 13 177.957 0.000 . 1 . . . . . 77 ASP C . 53588 1
674 . 1 . 1 57 57 ASP CA C 13 57.117 0.048 . 1 . . . . . 77 ASP CA . 53588 1
675 . 1 . 1 57 57 ASP CB C 13 40.897 0.031 . 1 . . . . . 77 ASP CB . 53588 1
676 . 1 . 1 57 57 ASP N N 15 118.944 0.006 . 1 . . . . . 77 ASP N . 53588 1
677 . 1 . 1 58 58 ASP H H 1 7.724 0.003 . 1 . . . . . 78 ASP H . 53588 1
678 . 1 . 1 58 58 ASP HA H 1 4.354 0.005 . 1 . . . . . 78 ASP HA . 53588 1
679 . 1 . 1 58 58 ASP HB2 H 1 2.963 0.006 . 2 . . . . . 78 ASP HB2 . 53588 1
680 . 1 . 1 58 58 ASP HB3 H 1 2.463 0.006 . 2 . . . . . 78 ASP HB3 . 53588 1
681 . 1 . 1 58 58 ASP C C 13 179.222 0.000 . 1 . . . . . 78 ASP C . 53588 1
682 . 1 . 1 58 58 ASP CA C 13 57.349 0.037 . 1 . . . . . 78 ASP CA . 53588 1
683 . 1 . 1 58 58 ASP CB C 13 40.199 0.006 . 1 . . . . . 78 ASP CB . 53588 1
684 . 1 . 1 58 58 ASP N N 15 119.641 0.010 . 1 . . . . . 78 ASP N . 53588 1
685 . 1 . 1 59 59 ILE H H 1 7.220 0.003 . 1 . . . . . 79 ILE H . 53588 1
686 . 1 . 1 59 59 ILE HA H 1 3.551 0.006 . 1 . . . . . 79 ILE HA . 53588 1
687 . 1 . 1 59 59 ILE HB H 1 2.205 0.009 . 1 . . . . . 79 ILE HB . 53588 1
688 . 1 . 1 59 59 ILE HG12 H 1 1.745 0.009 . 2 . . . . . 79 ILE HG12 . 53588 1
689 . 1 . 1 59 59 ILE HG13 H 1 1.248 0.006 . 2 . . . . . 79 ILE HG13 . 53588 1
690 . 1 . 1 59 59 ILE HG21 H 1 0.834 0.004 . 1 . . . . . 79 ILE HG21 . 53588 1
691 . 1 . 1 59 59 ILE HG22 H 1 0.834 0.004 . 1 . . . . . 79 ILE HG22 . 53588 1
692 . 1 . 1 59 59 ILE HG23 H 1 0.834 0.004 . 1 . . . . . 79 ILE HG23 . 53588 1
693 . 1 . 1 59 59 ILE HD11 H 1 0.456 0.008 . 1 . . . . . 79 ILE HD11 . 53588 1
694 . 1 . 1 59 59 ILE HD12 H 1 0.456 0.008 . 1 . . . . . 79 ILE HD12 . 53588 1
695 . 1 . 1 59 59 ILE HD13 H 1 0.456 0.008 . 1 . . . . . 79 ILE HD13 . 53588 1
696 . 1 . 1 59 59 ILE C C 13 176.587 0.000 . 1 . . . . . 79 ILE C . 53588 1
697 . 1 . 1 59 59 ILE CA C 13 60.720 0.042 . 1 . . . . . 79 ILE CA . 53588 1
698 . 1 . 1 59 59 ILE CB C 13 35.486 0.064 . 1 . . . . . 79 ILE CB . 53588 1
699 . 1 . 1 59 59 ILE CG1 C 13 25.510 0.038 . 1 . . . . . 79 ILE CG1 . 53588 1
700 . 1 . 1 59 59 ILE CG2 C 13 17.938 0.008 . 1 . . . . . 79 ILE CG2 . 53588 1
701 . 1 . 1 59 59 ILE CD1 C 13 8.290 0.082 . 1 . . . . . 79 ILE CD1 . 53588 1
702 . 1 . 1 59 59 ILE N N 15 119.267 0.013 . 1 . . . . . 79 ILE N . 53588 1
703 . 1 . 1 60 60 ALA H H 1 8.473 0.003 . 1 . . . . . 80 ALA H . 53588 1
704 . 1 . 1 60 60 ALA HA H 1 2.549 0.004 . 1 . . . . . 80 ALA HA . 53588 1
705 . 1 . 1 60 60 ALA HB1 H 1 1.340 0.003 . 1 . . . . . 80 ALA HB1 . 53588 1
706 . 1 . 1 60 60 ALA HB2 H 1 1.340 0.003 . 1 . . . . . 80 ALA HB2 . 53588 1
707 . 1 . 1 60 60 ALA HB3 H 1 1.340 0.003 . 1 . . . . . 80 ALA HB3 . 53588 1
708 . 1 . 1 60 60 ALA C C 13 179.327 0.000 . 1 . . . . . 80 ALA C . 53588 1
709 . 1 . 1 60 60 ALA CA C 13 54.953 0.026 . 1 . . . . . 80 ALA CA . 53588 1
710 . 1 . 1 60 60 ALA CB C 13 18.705 0.049 . 1 . . . . . 80 ALA CB . 53588 1
711 . 1 . 1 60 60 ALA N N 15 122.746 0.006 . 1 . . . . . 80 ALA N . 53588 1
712 . 1 . 1 61 61 LYS H H 1 7.720 0.002 . 1 . . . . . 81 LYS H . 53588 1
713 . 1 . 1 61 61 LYS HA H 1 4.295 0.006 . 1 . . . . . 81 LYS HA . 53588 1
714 . 1 . 1 61 61 LYS HB2 H 1 1.888 0.006 . 2 . . . . . 81 LYS HB2 . 53588 1
715 . 1 . 1 61 61 LYS HB3 H 1 1.884 0.007 . 2 . . . . . 81 LYS HB3 . 53588 1
716 . 1 . 1 61 61 LYS HG2 H 1 1.471 0.006 . 2 . . . . . 81 LYS HG2 . 53588 1
717 . 1 . 1 61 61 LYS HG3 H 1 1.718 0.012 . 2 . . . . . 81 LYS HG3 . 53588 1
718 . 1 . 1 61 61 LYS C C 13 179.499 0.000 . 1 . . . . . 81 LYS C . 53588 1
719 . 1 . 1 61 61 LYS CA C 13 58.706 0.081 . 1 . . . . . 81 LYS CA . 53588 1
720 . 1 . 1 61 61 LYS CB C 13 32.630 0.068 . 1 . . . . . 81 LYS CB . 53588 1
721 . 1 . 1 61 61 LYS CG C 13 26.397 0.038 . 1 . . . . . 81 LYS CG . 53588 1
722 . 1 . 1 61 61 LYS N N 15 115.156 0.007 . 1 . . . . . 81 LYS N . 53588 1
723 . 1 . 1 62 62 LEU H H 1 7.338 0.002 . 1 . . . . . 82 LEU H . 53588 1
724 . 1 . 1 62 62 LEU HA H 1 4.095 0.010 . 1 . . . . . 82 LEU HA . 53588 1
725 . 1 . 1 62 62 LEU HB2 H 1 2.021 0.009 . 2 . . . . . 82 LEU HB2 . 53588 1
726 . 1 . 1 62 62 LEU HB3 H 1 1.387 0.010 . 2 . . . . . 82 LEU HB3 . 53588 1
727 . 1 . 1 62 62 LEU HG H 1 1.741 0.004 . 1 . . . . . 82 LEU HG . 53588 1
728 . 1 . 1 62 62 LEU HD11 H 1 0.814 0.015 . 2 . . . . . 82 LEU HD11 . 53588 1
729 . 1 . 1 62 62 LEU HD12 H 1 0.814 0.015 . 2 . . . . . 82 LEU HD12 . 53588 1
730 . 1 . 1 62 62 LEU HD13 H 1 0.814 0.015 . 2 . . . . . 82 LEU HD13 . 53588 1
731 . 1 . 1 62 62 LEU HD21 H 1 0.845 0.007 . 2 . . . . . 82 LEU HD21 . 53588 1
732 . 1 . 1 62 62 LEU HD22 H 1 0.845 0.007 . 2 . . . . . 82 LEU HD22 . 53588 1
733 . 1 . 1 62 62 LEU HD23 H 1 0.845 0.007 . 2 . . . . . 82 LEU HD23 . 53588 1
734 . 1 . 1 62 62 LEU C C 13 179.169 0.000 . 1 . . . . . 82 LEU C . 53588 1
735 . 1 . 1 62 62 LEU CA C 13 57.837 0.020 . 1 . . . . . 82 LEU CA . 53588 1
736 . 1 . 1 62 62 LEU CB C 13 42.469 0.051 . 1 . . . . . 82 LEU CB . 53588 1
737 . 1 . 1 62 62 LEU CD1 C 13 24.721 0.033 . 2 . . . . . 82 LEU CD1 . 53588 1
738 . 1 . 1 62 62 LEU CD2 C 13 23.493 0.002 . 2 . . . . . 82 LEU CD2 . 53588 1
739 . 1 . 1 62 62 LEU N N 15 122.685 0.041 . 1 . . . . . 82 LEU N . 53588 1
740 . 1 . 1 63 63 ALA H H 1 8.121 0.003 . 1 . . . . . 83 ALA H . 53588 1
741 . 1 . 1 63 63 ALA HA H 1 3.565 0.018 . 1 . . . . . 83 ALA HA . 53588 1
742 . 1 . 1 63 63 ALA HB1 H 1 1.215 0.018 . 1 . . . . . 83 ALA HB1 . 53588 1
743 . 1 . 1 63 63 ALA HB2 H 1 1.215 0.018 . 1 . . . . . 83 ALA HB2 . 53588 1
744 . 1 . 1 63 63 ALA HB3 H 1 1.215 0.018 . 1 . . . . . 83 ALA HB3 . 53588 1
745 . 1 . 1 63 63 ALA C C 13 179.301 0.000 . 1 . . . . . 83 ALA C . 53588 1
746 . 1 . 1 63 63 ALA CA C 13 55.426 0.036 . 1 . . . . . 83 ALA CA . 53588 1
747 . 1 . 1 63 63 ALA CB C 13 18.454 0.026 . 1 . . . . . 83 ALA CB . 53588 1
748 . 1 . 1 63 63 ALA N N 15 120.837 0.033 . 1 . . . . . 83 ALA N . 53588 1
749 . 1 . 1 64 64 GLY H H 1 8.988 0.011 . 1 . . . . . 84 GLY H . 53588 1
750 . 1 . 1 64 64 GLY HA2 H 1 3.890 0.008 . 2 . . . . . 84 GLY HA2 . 53588 1
751 . 1 . 1 64 64 GLY HA3 H 1 3.669 0.007 . 2 . . . . . 84 GLY HA3 . 53588 1
752 . 1 . 1 64 64 GLY C C 13 175.150 0.000 . 1 . . . . . 84 GLY C . 53588 1
753 . 1 . 1 64 64 GLY CA C 13 47.307 0.090 . 1 . . . . . 84 GLY CA . 53588 1
754 . 1 . 1 64 64 GLY N N 15 106.248 0.040 . 1 . . . . . 84 GLY N . 53588 1
755 . 1 . 1 65 65 GLN H H 1 8.047 0.002 . 1 . . . . . 85 GLN H . 53588 1
756 . 1 . 1 65 65 GLN HA H 1 3.972 0.008 . 1 . . . . . 85 GLN HA . 53588 1
757 . 1 . 1 65 65 GLN HB2 H 1 2.254 0.012 . 2 . . . . . 85 GLN HB2 . 53588 1
758 . 1 . 1 65 65 GLN HB3 H 1 2.250 0.013 . 2 . . . . . 85 GLN HB3 . 53588 1
759 . 1 . 1 65 65 GLN HG2 H 1 2.523 0.009 . 2 . . . . . 85 GLN HG2 . 53588 1
760 . 1 . 1 65 65 GLN HG3 H 1 2.517 0.009 . 2 . . . . . 85 GLN HG3 . 53588 1
761 . 1 . 1 65 65 GLN HE21 H 1 6.845 0.000 . 1 . . . . . 85 GLN HE21 . 53588 1
762 . 1 . 1 65 65 GLN HE22 H 1 7.425 0.004 . 1 . . . . . 85 GLN HE22 . 53588 1
763 . 1 . 1 65 65 GLN C C 13 179.499 0.000 . 1 . . . . . 85 GLN C . 53588 1
764 . 1 . 1 65 65 GLN CA C 13 59.340 0.027 . 1 . . . . . 85 GLN CA . 53588 1
765 . 1 . 1 65 65 GLN CB C 13 28.468 0.050 . 1 . . . . . 85 GLN CB . 53588 1
766 . 1 . 1 65 65 GLN CG C 13 34.043 0.043 . 1 . . . . . 85 GLN CG . 53588 1
767 . 1 . 1 65 65 GLN N N 15 119.241 0.017 . 1 . . . . . 85 GLN N . 53588 1
768 . 1 . 1 65 65 GLN NE2 N 15 111.610 0.017 . 1 . . . . . 85 GLN NE2 . 53588 1
769 . 1 . 1 66 66 LYS H H 1 7.291 0.003 . 1 . . . . . 86 LYS H . 53588 1
770 . 1 . 1 66 66 LYS HA H 1 4.045 0.004 . 1 . . . . . 86 LYS HA . 53588 1
771 . 1 . 1 66 66 LYS HB2 H 1 1.866 0.007 . 2 . . . . . 86 LYS HB2 . 53588 1
772 . 1 . 1 66 66 LYS HB3 H 1 1.582 0.017 . 2 . . . . . 86 LYS HB3 . 53588 1
773 . 1 . 1 66 66 LYS C C 13 178.998 0.000 . 1 . . . . . 86 LYS C . 53588 1
774 . 1 . 1 66 66 LYS CA C 13 59.383 0.012 . 1 . . . . . 86 LYS CA . 53588 1
775 . 1 . 1 66 66 LYS CB C 13 33.508 0.062 . 1 . . . . . 86 LYS CB . 53588 1
776 . 1 . 1 66 66 LYS N N 15 119.968 0.020 . 1 . . . . . 86 LYS N . 53588 1
777 . 1 . 1 67 67 LEU H H 1 8.982 0.004 . 1 . . . . . 87 LEU H . 53588 1
778 . 1 . 1 67 67 LEU HA H 1 3.848 0.010 . 1 . . . . . 87 LEU HA . 53588 1
779 . 1 . 1 67 67 LEU HB2 H 1 2.056 0.000 . 2 . . . . . 87 LEU HB2 . 53588 1
780 . 1 . 1 67 67 LEU HB3 H 1 1.259 0.012 . 2 . . . . . 87 LEU HB3 . 53588 1
781 . 1 . 1 67 67 LEU HG H 1 1.714 0.008 . 1 . . . . . 87 LEU HG . 53588 1
782 . 1 . 1 67 67 LEU HD11 H 1 1.021 0.017 . 2 . . . . . 87 LEU HD11 . 53588 1
783 . 1 . 1 67 67 LEU HD12 H 1 1.021 0.017 . 2 . . . . . 87 LEU HD12 . 53588 1
784 . 1 . 1 67 67 LEU HD13 H 1 1.021 0.017 . 2 . . . . . 87 LEU HD13 . 53588 1
785 . 1 . 1 67 67 LEU HD21 H 1 1.036 0.006 . 2 . . . . . 87 LEU HD21 . 53588 1
786 . 1 . 1 67 67 LEU HD22 H 1 1.036 0.006 . 2 . . . . . 87 LEU HD22 . 53588 1
787 . 1 . 1 67 67 LEU HD23 H 1 1.036 0.006 . 2 . . . . . 87 LEU HD23 . 53588 1
788 . 1 . 1 67 67 LEU C C 13 180.316 0.000 . 1 . . . . . 87 LEU C . 53588 1
789 . 1 . 1 67 67 LEU CA C 13 58.390 0.040 . 1 . . . . . 87 LEU CA . 53588 1
790 . 1 . 1 67 67 LEU CB C 13 41.449 0.126 . 1 . . . . . 87 LEU CB . 53588 1
791 . 1 . 1 67 67 LEU CG C 13 27.603 0.000 . 1 . . . . . 87 LEU CG . 53588 1
792 . 1 . 1 67 67 LEU CD1 C 13 23.130 0.054 . 2 . . . . . 87 LEU CD1 . 53588 1
793 . 1 . 1 67 67 LEU CD2 C 13 25.188 0.027 . 2 . . . . . 87 LEU CD2 . 53588 1
794 . 1 . 1 67 67 LEU N N 15 122.877 0.052 . 1 . . . . . 87 LEU N . 53588 1
795 . 1 . 1 68 68 VAL H H 1 8.496 0.003 . 1 . . . . . 88 VAL H . 53588 1
796 . 1 . 1 68 68 VAL HA H 1 3.581 0.005 . 1 . . . . . 88 VAL HA . 53588 1
797 . 1 . 1 68 68 VAL HB H 1 1.923 0.004 . 1 . . . . . 88 VAL HB . 53588 1
798 . 1 . 1 68 68 VAL HG11 H 1 0.679 0.009 . 2 . . . . . 88 VAL HG11 . 53588 1
799 . 1 . 1 68 68 VAL HG12 H 1 0.679 0.009 . 2 . . . . . 88 VAL HG12 . 53588 1
800 . 1 . 1 68 68 VAL HG13 H 1 0.679 0.009 . 2 . . . . . 88 VAL HG13 . 53588 1
801 . 1 . 1 68 68 VAL HG21 H 1 0.757 0.003 . 2 . . . . . 88 VAL HG21 . 53588 1
802 . 1 . 1 68 68 VAL HG22 H 1 0.757 0.003 . 2 . . . . . 88 VAL HG22 . 53588 1
803 . 1 . 1 68 68 VAL HG23 H 1 0.757 0.003 . 2 . . . . . 88 VAL HG23 . 53588 1
804 . 1 . 1 68 68 VAL C C 13 178.601 0.000 . 1 . . . . . 88 VAL C . 53588 1
805 . 1 . 1 68 68 VAL CA C 13 66.171 0.055 . 1 . . . . . 88 VAL CA . 53588 1
806 . 1 . 1 68 68 VAL CB C 13 31.487 0.039 . 1 . . . . . 88 VAL CB . 53588 1
807 . 1 . 1 68 68 VAL CG1 C 13 21.778 0.067 . 2 . . . . . 88 VAL CG1 . 53588 1
808 . 1 . 1 68 68 VAL CG2 C 13 20.634 0.006 . 2 . . . . . 88 VAL CG2 . 53588 1
809 . 1 . 1 68 68 VAL N N 15 118.594 0.014 . 1 . . . . . 88 VAL N . 53588 1
810 . 1 . 1 69 69 ALA H H 1 7.333 0.003 . 1 . . . . . 89 ALA H . 53588 1
811 . 1 . 1 69 69 ALA HA H 1 4.118 0.005 . 1 . . . . . 89 ALA HA . 53588 1
812 . 1 . 1 69 69 ALA HB1 H 1 1.515 0.002 . 1 . . . . . 89 ALA HB1 . 53588 1
813 . 1 . 1 69 69 ALA HB2 H 1 1.515 0.002 . 1 . . . . . 89 ALA HB2 . 53588 1
814 . 1 . 1 69 69 ALA HB3 H 1 1.515 0.002 . 1 . . . . . 89 ALA HB3 . 53588 1
815 . 1 . 1 69 69 ALA C C 13 179.373 0.000 . 1 . . . . . 89 ALA C . 53588 1
816 . 1 . 1 69 69 ALA CA C 13 54.928 0.048 . 1 . . . . . 89 ALA CA . 53588 1
817 . 1 . 1 69 69 ALA CB C 13 18.394 0.077 . 1 . . . . . 89 ALA CB . 53588 1
818 . 1 . 1 69 69 ALA N N 15 121.664 0.018 . 1 . . . . . 89 ALA N . 53588 1
819 . 1 . 1 70 70 ARG H H 1 7.926 0.004 . 1 . . . . . 90 ARG H . 53588 1
820 . 1 . 1 70 70 ARG HA H 1 4.259 0.004 . 1 . . . . . 90 ARG HA . 53588 1
821 . 1 . 1 70 70 ARG HB2 H 1 1.830 0.002 . 2 . . . . . 90 ARG HB2 . 53588 1
822 . 1 . 1 70 70 ARG HB3 H 1 1.909 0.003 . 2 . . . . . 90 ARG HB3 . 53588 1
823 . 1 . 1 70 70 ARG HG2 H 1 1.828 0.000 . 2 . . . . . 90 ARG HG2 . 53588 1
824 . 1 . 1 70 70 ARG HG3 H 1 1.756 0.000 . 2 . . . . . 90 ARG HG3 . 53588 1
825 . 1 . 1 70 70 ARG HD2 H 1 2.926 0.005 . 2 . . . . . 90 ARG HD2 . 53588 1
826 . 1 . 1 70 70 ARG HD3 H 1 3.014 0.013 . 2 . . . . . 90 ARG HD3 . 53588 1
827 . 1 . 1 70 70 ARG HE H 1 7.343 0.003 . 1 . . . . . 90 ARG HE . 53588 1
828 . 1 . 1 70 70 ARG C C 13 175.956 0.000 . 1 . . . . . 90 ARG C . 53588 1
829 . 1 . 1 70 70 ARG CA C 13 56.061 0.053 . 1 . . . . . 90 ARG CA . 53588 1
830 . 1 . 1 70 70 ARG CB C 13 31.086 0.053 . 1 . . . . . 90 ARG CB . 53588 1
831 . 1 . 1 70 70 ARG CG C 13 26.960 0.000 . 1 . . . . . 90 ARG CG . 53588 1
832 . 1 . 1 70 70 ARG CD C 13 44.323 0.072 . 1 . . . . . 90 ARG CD . 53588 1
833 . 1 . 1 70 70 ARG CZ C 13 159.599 0.000 . 1 . . . . . 90 ARG CZ . 53588 1
834 . 1 . 1 70 70 ARG N N 15 115.353 0.019 . 1 . . . . . 90 ARG N . 53588 1
835 . 1 . 1 70 70 ARG NE N 15 84.216 0.040 . 1 . . . . . 90 ARG NE . 53588 1
836 . 1 . 1 71 71 ALA H H 1 6.970 0.003 . 1 . . . . . 91 ALA H . 53588 1
837 . 1 . 1 71 71 ALA HA H 1 4.236 0.009 . 1 . . . . . 91 ALA HA . 53588 1
838 . 1 . 1 71 71 ALA HB1 H 1 1.353 0.009 . 1 . . . . . 91 ALA HB1 . 53588 1
839 . 1 . 1 71 71 ALA HB2 H 1 1.353 0.009 . 1 . . . . . 91 ALA HB2 . 53588 1
840 . 1 . 1 71 71 ALA HB3 H 1 1.353 0.009 . 1 . . . . . 91 ALA HB3 . 53588 1
841 . 1 . 1 71 71 ALA C C 13 177.057 0.000 . 1 . . . . . 91 ALA C . 53588 1
842 . 1 . 1 71 71 ALA CA C 13 53.186 0.040 . 1 . . . . . 91 ALA CA . 53588 1
843 . 1 . 1 71 71 ALA CB C 13 19.283 0.032 . 1 . . . . . 91 ALA CB . 53588 1
844 . 1 . 1 71 71 ALA N N 15 124.479 0.008 . 1 . . . . . 91 ALA N . 53588 1
845 . 1 . 1 72 72 LYS H H 1 7.977 0.002 . 1 . . . . . 92 LYS H . 53588 1
846 . 1 . 1 72 72 LYS HA H 1 4.356 0.004 . 1 . . . . . 92 LYS HA . 53588 1
847 . 1 . 1 72 72 LYS HB2 H 1 1.431 0.007 . 2 . . . . . 92 LYS HB2 . 53588 1
848 . 1 . 1 72 72 LYS HB3 H 1 1.877 0.000 . 2 . . . . . 92 LYS HB3 . 53588 1
849 . 1 . 1 72 72 LYS HG2 H 1 1.696 0.006 . 2 . . . . . 92 LYS HG2 . 53588 1
850 . 1 . 1 72 72 LYS HG3 H 1 1.487 0.007 . 2 . . . . . 92 LYS HG3 . 53588 1
851 . 1 . 1 72 72 LYS HE2 H 1 3.080 0.000 . 1 . . . . . 92 LYS HE2 . 53588 1
852 . 1 . 1 72 72 LYS CA C 13 54.596 0.054 . 1 . . . . . 92 LYS CA . 53588 1
853 . 1 . 1 72 72 LYS CB C 13 31.410 0.043 . 1 . . . . . 92 LYS CB . 53588 1
854 . 1 . 1 72 72 LYS CG C 13 25.497 0.017 . 1 . . . . . 92 LYS CG . 53588 1
855 . 1 . 1 72 72 LYS N N 15 124.557 0.005 . 1 . . . . . 92 LYS N . 53588 1
856 . 1 . 1 73 73 PRO HA H 1 3.851 0.006 . 1 . . . . . 93 PRO HA . 53588 1
857 . 1 . 1 73 73 PRO HB2 H 1 2.242 0.009 . 2 . . . . . 93 PRO HB2 . 53588 1
858 . 1 . 1 73 73 PRO HB3 H 1 1.801 0.007 . 2 . . . . . 93 PRO HB3 . 53588 1
859 . 1 . 1 73 73 PRO HG2 H 1 2.145 0.003 . 2 . . . . . 93 PRO HG2 . 53588 1
860 . 1 . 1 73 73 PRO HG3 H 1 1.935 0.007 . 2 . . . . . 93 PRO HG3 . 53588 1
861 . 1 . 1 73 73 PRO HD2 H 1 3.835 0.012 . 2 . . . . . 93 PRO HD2 . 53588 1
862 . 1 . 1 73 73 PRO HD3 H 1 3.538 0.011 . 2 . . . . . 93 PRO HD3 . 53588 1
863 . 1 . 1 73 73 PRO C C 13 177.429 0.000 . 1 . . . . . 93 PRO C . 53588 1
864 . 1 . 1 73 73 PRO CA C 13 64.197 0.073 . 1 . . . . . 93 PRO CA . 53588 1
865 . 1 . 1 73 73 PRO CB C 13 31.387 0.047 . 1 . . . . . 93 PRO CB . 53588 1
866 . 1 . 1 73 73 PRO CG C 13 28.129 0.072 . 1 . . . . . 93 PRO CG . 53588 1
867 . 1 . 1 73 73 PRO CD C 13 50.102 0.125 . 1 . . . . . 93 PRO CD . 53588 1
868 . 1 . 1 74 74 GLY H H 1 9.118 0.003 . 1 . . . . . 94 GLY H . 53588 1
869 . 1 . 1 74 74 GLY HA2 H 1 4.414 0.007 . 2 . . . . . 94 GLY HA2 . 53588 1
870 . 1 . 1 74 74 GLY HA3 H 1 3.417 0.007 . 2 . . . . . 94 GLY HA3 . 53588 1
871 . 1 . 1 74 74 GLY C C 13 174.430 0.000 . 1 . . . . . 94 GLY C . 53588 1
872 . 1 . 1 74 74 GLY CA C 13 44.641 0.057 . 1 . . . . . 94 GLY CA . 53588 1
873 . 1 . 1 74 74 GLY N N 15 113.743 0.004 . 1 . . . . . 94 GLY N . 53588 1
874 . 1 . 1 75 75 GLU H H 1 8.159 0.003 . 1 . . . . . 95 GLU H . 53588 1
875 . 1 . 1 75 75 GLU HA H 1 4.309 0.008 . 1 . . . . . 95 GLU HA . 53588 1
876 . 1 . 1 75 75 GLU HB2 H 1 2.327 0.012 . 2 . . . . . 95 GLU HB2 . 53588 1
877 . 1 . 1 75 75 GLU HB3 H 1 2.340 0.000 . 2 . . . . . 95 GLU HB3 . 53588 1
878 . 1 . 1 75 75 GLU HG2 H 1 2.020 0.003 . 2 . . . . . 95 GLU HG2 . 53588 1
879 . 1 . 1 75 75 GLU HG3 H 1 2.300 0.000 . 2 . . . . . 95 GLU HG3 . 53588 1
880 . 1 . 1 75 75 GLU C C 13 175.420 0.000 . 1 . . . . . 95 GLU C . 53588 1
881 . 1 . 1 75 75 GLU CA C 13 56.616 0.041 . 1 . . . . . 95 GLU CA . 53588 1
882 . 1 . 1 75 75 GLU CB C 13 29.672 0.053 . 1 . . . . . 95 GLU CB . 53588 1
883 . 1 . 1 75 75 GLU CG C 13 38.343 0.045 . 1 . . . . . 95 GLU CG . 53588 1
884 . 1 . 1 75 75 GLU N N 15 122.028 0.006 . 1 . . . . . 95 GLU N . 53588 1
885 . 1 . 1 76 76 TYR H H 1 9.342 0.003 . 1 . . . . . 96 TYR H . 53588 1
886 . 1 . 1 76 76 TYR HA H 1 5.239 0.005 . 1 . . . . . 96 TYR HA . 53588 1
887 . 1 . 1 76 76 TYR HB2 H 1 2.870 0.011 . 2 . . . . . 96 TYR HB2 . 53588 1
888 . 1 . 1 76 76 TYR HB3 H 1 2.854 0.017 . 2 . . . . . 96 TYR HB3 . 53588 1
889 . 1 . 1 76 76 TYR HD1 H 1 7.128 0.004 . 1 . . . . . 96 TYR HD1 . 53588 1
890 . 1 . 1 76 76 TYR HD2 H 1 7.128 0.004 . 1 . . . . . 96 TYR HD2 . 53588 1
891 . 1 . 1 76 76 TYR HE1 H 1 6.814 0.002 . 1 . . . . . 96 TYR HE1 . 53588 1
892 . 1 . 1 76 76 TYR HE2 H 1 6.814 0.002 . 1 . . . . . 96 TYR HE2 . 53588 1
893 . 1 . 1 76 76 TYR C C 13 177.140 0.000 . 1 . . . . . 96 TYR C . 53588 1
894 . 1 . 1 76 76 TYR CA C 13 59.149 0.041 . 1 . . . . . 96 TYR CA . 53588 1
895 . 1 . 1 76 76 TYR CB C 13 41.034 0.023 . 1 . . . . . 96 TYR CB . 53588 1
896 . 1 . 1 76 76 TYR CD1 C 13 132.993 0.000 . 1 . . . . . 96 TYR CD1 . 53588 1
897 . 1 . 1 76 76 TYR CD2 C 13 132.993 0.000 . 1 . . . . . 96 TYR CD2 . 53588 1
898 . 1 . 1 76 76 TYR CE1 C 13 117.882 0.000 . 1 . . . . . 96 TYR CE1 . 53588 1
899 . 1 . 1 76 76 TYR CE2 C 13 117.882 0.000 . 1 . . . . . 96 TYR CE2 . 53588 1
900 . 1 . 1 76 76 TYR N N 15 119.941 0.039 . 1 . . . . . 96 TYR N . 53588 1
901 . 1 . 1 77 77 VAL H H 1 9.398 0.002 . 1 . . . . . 97 VAL H . 53588 1
902 . 1 . 1 77 77 VAL HA H 1 5.646 0.006 . 1 . . . . . 97 VAL HA . 53588 1
903 . 1 . 1 77 77 VAL HB H 1 2.028 0.009 . 1 . . . . . 97 VAL HB . 53588 1
904 . 1 . 1 77 77 VAL HG11 H 1 0.770 0.009 . 2 . . . . . 97 VAL HG11 . 53588 1
905 . 1 . 1 77 77 VAL HG12 H 1 0.770 0.009 . 2 . . . . . 97 VAL HG12 . 53588 1
906 . 1 . 1 77 77 VAL HG13 H 1 0.770 0.009 . 2 . . . . . 97 VAL HG13 . 53588 1
907 . 1 . 1 77 77 VAL HG21 H 1 0.995 0.010 . 2 . . . . . 97 VAL HG21 . 53588 1
908 . 1 . 1 77 77 VAL HG22 H 1 0.995 0.010 . 2 . . . . . 97 VAL HG22 . 53588 1
909 . 1 . 1 77 77 VAL HG23 H 1 0.995 0.010 . 2 . . . . . 97 VAL HG23 . 53588 1
910 . 1 . 1 77 77 VAL C C 13 173.852 0.000 . 1 . . . . . 97 VAL C . 53588 1
911 . 1 . 1 77 77 VAL CA C 13 58.694 0.049 . 1 . . . . . 97 VAL CA . 53588 1
912 . 1 . 1 77 77 VAL CB C 13 36.643 0.050 . 1 . . . . . 97 VAL CB . 53588 1
913 . 1 . 1 77 77 VAL CG1 C 13 18.003 0.017 . 2 . . . . . 97 VAL CG1 . 53588 1
914 . 1 . 1 77 77 VAL CG2 C 13 23.460 0.014 . 2 . . . . . 97 VAL CG2 . 53588 1
915 . 1 . 1 77 77 VAL N N 15 114.688 0.002 . 1 . . . . . 97 VAL N . 53588 1
916 . 1 . 1 78 78 GLN H H 1 7.905 0.002 . 1 . . . . . 98 GLN H . 53588 1
917 . 1 . 1 78 78 GLN HA H 1 4.211 0.008 . 1 . . . . . 98 GLN HA . 53588 1
918 . 1 . 1 78 78 GLN HB2 H 1 1.337 0.014 . 2 . . . . . 98 GLN HB2 . 53588 1
919 . 1 . 1 78 78 GLN HB3 H 1 -0.594 0.002 . 2 . . . . . 98 GLN HB3 . 53588 1
920 . 1 . 1 78 78 GLN HG2 H 1 1.840 0.007 . 2 . . . . . 98 GLN HG2 . 53588 1
921 . 1 . 1 78 78 GLN HG3 H 1 0.922 0.010 . 2 . . . . . 98 GLN HG3 . 53588 1
922 . 1 . 1 78 78 GLN HE21 H 1 6.185 0.002 . 1 . . . . . 98 GLN HE21 . 53588 1
923 . 1 . 1 78 78 GLN HE22 H 1 6.593 0.001 . 1 . . . . . 98 GLN HE22 . 53588 1
924 . 1 . 1 78 78 GLN C C 13 175.754 0.000 . 1 . . . . . 98 GLN C . 53588 1
925 . 1 . 1 78 78 GLN CA C 13 54.276 0.106 . 1 . . . . . 98 GLN CA . 53588 1
926 . 1 . 1 78 78 GLN CB C 13 29.509 0.092 . 1 . . . . . 98 GLN CB . 53588 1
927 . 1 . 1 78 78 GLN CG C 13 33.796 0.064 . 1 . . . . . 98 GLN CG . 53588 1
928 . 1 . 1 78 78 GLN N N 15 123.248 0.005 . 1 . . . . . 98 GLN N . 53588 1
929 . 1 . 1 78 78 GLN NE2 N 15 107.719 0.046 . 1 . . . . . 98 GLN NE2 . 53588 1
930 . 1 . 1 79 79 GLY H H 1 8.038 0.003 . 1 . . . . . 99 GLY H . 53588 1
931 . 1 . 1 79 79 GLY HA2 H 1 4.367 0.008 . 2 . . . . . 99 GLY HA2 . 53588 1
932 . 1 . 1 79 79 GLY HA3 H 1 3.735 0.008 . 2 . . . . . 99 GLY HA3 . 53588 1
933 . 1 . 1 79 79 GLY C C 13 174.643 0.000 . 1 . . . . . 99 GLY C . 53588 1
934 . 1 . 1 79 79 GLY CA C 13 44.006 0.015 . 1 . . . . . 99 GLY CA . 53588 1
935 . 1 . 1 79 79 GLY N N 15 112.060 0.013 . 1 . . . . . 99 GLY N . 53588 1
936 . 1 . 1 80 80 ILE H H 1 8.220 0.002 . 1 . . . . . 100 ILE H . 53588 1
937 . 1 . 1 80 80 ILE HA H 1 3.024 0.010 . 1 . . . . . 100 ILE HA . 53588 1
938 . 1 . 1 80 80 ILE HB H 1 1.451 0.011 . 1 . . . . . 100 ILE HB . 53588 1
939 . 1 . 1 80 80 ILE HG12 H 1 1.129 0.008 . 2 . . . . . 100 ILE HG12 . 53588 1
940 . 1 . 1 80 80 ILE HG13 H 1 0.985 0.006 . 2 . . . . . 100 ILE HG13 . 53588 1
941 . 1 . 1 80 80 ILE HG21 H 1 0.673 0.009 . 1 . . . . . 100 ILE HG21 . 53588 1
942 . 1 . 1 80 80 ILE HG22 H 1 0.673 0.009 . 1 . . . . . 100 ILE HG22 . 53588 1
943 . 1 . 1 80 80 ILE HG23 H 1 0.673 0.009 . 1 . . . . . 100 ILE HG23 . 53588 1
944 . 1 . 1 80 80 ILE HD11 H 1 0.683 0.012 . 1 . . . . . 100 ILE HD11 . 53588 1
945 . 1 . 1 80 80 ILE HD12 H 1 0.683 0.012 . 1 . . . . . 100 ILE HD12 . 53588 1
946 . 1 . 1 80 80 ILE HD13 H 1 0.683 0.012 . 1 . . . . . 100 ILE HD13 . 53588 1
947 . 1 . 1 80 80 ILE C C 13 176.287 0.000 . 1 . . . . . 100 ILE C . 53588 1
948 . 1 . 1 80 80 ILE CA C 13 63.214 0.047 . 1 . . . . . 100 ILE CA . 53588 1
949 . 1 . 1 80 80 ILE CB C 13 38.069 0.040 . 1 . . . . . 100 ILE CB . 53588 1
950 . 1 . 1 80 80 ILE CG1 C 13 27.619 0.077 . 1 . . . . . 100 ILE CG1 . 53588 1
951 . 1 . 1 80 80 ILE CG2 C 13 17.020 0.044 . 1 . . . . . 100 ILE CG2 . 53588 1
952 . 1 . 1 80 80 ILE CD1 C 13 13.633 0.016 . 1 . . . . . 100 ILE CD1 . 53588 1
953 . 1 . 1 80 80 ILE N N 15 118.022 0.014 . 1 . . . . . 100 ILE N . 53588 1
954 . 1 . 1 81 81 ASN H H 1 8.028 0.004 . 1 . . . . . 101 ASN H . 53588 1
955 . 1 . 1 81 81 ASN HA H 1 4.436 0.003 . 1 . . . . . 101 ASN HA . 53588 1
956 . 1 . 1 81 81 ASN HB2 H 1 2.823 0.003 . 2 . . . . . 101 ASN HB2 . 53588 1
957 . 1 . 1 81 81 ASN HB3 H 1 3.151 0.007 . 2 . . . . . 101 ASN HB3 . 53588 1
958 . 1 . 1 81 81 ASN HD21 H 1 7.699 0.000 . 1 . . . . . 101 ASN HD21 . 53588 1
959 . 1 . 1 81 81 ASN HD22 H 1 7.000 0.000 . 1 . . . . . 101 ASN HD22 . 53588 1
960 . 1 . 1 81 81 ASN C C 13 176.455 0.000 . 1 . . . . . 101 ASN C . 53588 1
961 . 1 . 1 81 81 ASN CA C 13 52.767 0.020 . 1 . . . . . 101 ASN CA . 53588 1
962 . 1 . 1 81 81 ASN CB C 13 36.949 0.064 . 1 . . . . . 101 ASN CB . 53588 1
963 . 1 . 1 81 81 ASN N N 15 118.187 0.023 . 1 . . . . . 101 ASN N . 53588 1
964 . 1 . 1 81 81 ASN ND2 N 15 111.382 0.003 . 1 . . . . . 101 ASN ND2 . 53588 1
965 . 1 . 1 82 82 GLY H H 1 8.464 0.002 . 1 . . . . . 102 GLY H . 53588 1
966 . 1 . 1 82 82 GLY HA2 H 1 3.560 0.009 . 2 . . . . . 102 GLY HA2 . 53588 1
967 . 1 . 1 82 82 GLY HA3 H 1 4.137 0.007 . 2 . . . . . 102 GLY HA3 . 53588 1
968 . 1 . 1 82 82 GLY C C 13 174.051 0.000 . 1 . . . . . 102 GLY C . 53588 1
969 . 1 . 1 82 82 GLY CA C 13 45.401 0.039 . 1 . . . . . 102 GLY CA . 53588 1
970 . 1 . 1 82 82 GLY N N 15 108.195 0.014 . 1 . . . . . 102 GLY N . 53588 1
971 . 1 . 1 83 83 LYS H H 1 7.433 0.002 . 1 . . . . . 103 LYS H . 53588 1
972 . 1 . 1 83 83 LYS HA H 1 4.457 0.008 . 1 . . . . . 103 LYS HA . 53588 1
973 . 1 . 1 83 83 LYS HB2 H 1 1.787 0.003 . 2 . . . . . 103 LYS HB2 . 53588 1
974 . 1 . 1 83 83 LYS HB3 H 1 1.678 0.010 . 2 . . . . . 103 LYS HB3 . 53588 1
975 . 1 . 1 83 83 LYS HG2 H 1 1.308 0.000 . 1 . . . . . 103 LYS HG2 . 53588 1
976 . 1 . 1 83 83 LYS C C 13 176.608 0.000 . 1 . . . . . 103 LYS C . 53588 1
977 . 1 . 1 83 83 LYS CA C 13 55.110 0.024 . 1 . . . . . 103 LYS CA . 53588 1
978 . 1 . 1 83 83 LYS CB C 13 33.031 0.019 . 1 . . . . . 103 LYS CB . 53588 1
979 . 1 . 1 83 83 LYS N N 15 120.656 0.012 . 1 . . . . . 103 LYS N . 53588 1
980 . 1 . 1 84 84 TRP H H 1 8.895 0.003 . 1 . . . . . 104 TRP H . 53588 1
981 . 1 . 1 84 84 TRP HA H 1 4.944 0.006 . 1 . . . . . 104 TRP HA . 53588 1
982 . 1 . 1 84 84 TRP HB2 H 1 3.120 0.017 . 2 . . . . . 104 TRP HB2 . 53588 1
983 . 1 . 1 84 84 TRP HB3 H 1 3.169 0.017 . 2 . . . . . 104 TRP HB3 . 53588 1
984 . 1 . 1 84 84 TRP HD1 H 1 7.341 0.002 . 1 . . . . . 104 TRP HD1 . 53588 1
985 . 1 . 1 84 84 TRP HE1 H 1 10.220 0.005 . 1 . . . . . 104 TRP HE1 . 53588 1
986 . 1 . 1 84 84 TRP HE3 H 1 7.414 0.003 . 1 . . . . . 104 TRP HE3 . 53588 1
987 . 1 . 1 84 84 TRP HZ2 H 1 7.099 0.004 . 1 . . . . . 104 TRP HZ2 . 53588 1
988 . 1 . 1 84 84 TRP HZ3 H 1 6.831 0.003 . 1 . . . . . 104 TRP HZ3 . 53588 1
989 . 1 . 1 84 84 TRP HH2 H 1 6.728 0.004 . 1 . . . . . 104 TRP HH2 . 53588 1
990 . 1 . 1 84 84 TRP C C 13 176.912 0.000 . 1 . . . . . 104 TRP C . 53588 1
991 . 1 . 1 84 84 TRP CA C 13 58.121 0.030 . 1 . . . . . 104 TRP CA . 53588 1
992 . 1 . 1 84 84 TRP CB C 13 30.101 0.032 . 1 . . . . . 104 TRP CB . 53588 1
993 . 1 . 1 84 84 TRP CD1 C 13 126.781 0.000 . 1 . . . . . 104 TRP CD1 . 53588 1
994 . 1 . 1 84 84 TRP CE3 C 13 119.969 0.000 . 1 . . . . . 104 TRP CE3 . 53588 1
995 . 1 . 1 84 84 TRP CZ2 C 13 114.585 0.000 . 1 . . . . . 104 TRP CZ2 . 53588 1
996 . 1 . 1 84 84 TRP CZ3 C 13 121.973 0.000 . 1 . . . . . 104 TRP CZ3 . 53588 1
997 . 1 . 1 84 84 TRP CH2 C 13 123.905 0.000 . 1 . . . . . 104 TRP CH2 . 53588 1
998 . 1 . 1 84 84 TRP N N 15 125.579 0.026 . 1 . . . . . 104 TRP N . 53588 1
999 . 1 . 1 84 84 TRP NE1 N 15 128.885 0.032 . 1 . . . . . 104 TRP NE1 . 53588 1
1000 . 1 . 1 85 85 VAL H H 1 9.609 0.004 . 1 . . . . . 105 VAL H . 53588 1
1001 . 1 . 1 85 85 VAL HA H 1 4.675 0.006 . 1 . . . . . 105 VAL HA . 53588 1
1002 . 1 . 1 85 85 VAL HB H 1 2.135 0.002 . 1 . . . . . 105 VAL HB . 53588 1
1003 . 1 . 1 85 85 VAL HG11 H 1 0.870 0.008 . 2 . . . . . 105 VAL HG11 . 53588 1
1004 . 1 . 1 85 85 VAL HG12 H 1 0.870 0.008 . 2 . . . . . 105 VAL HG12 . 53588 1
1005 . 1 . 1 85 85 VAL HG13 H 1 0.870 0.008 . 2 . . . . . 105 VAL HG13 . 53588 1
1006 . 1 . 1 85 85 VAL HG21 H 1 0.907 0.009 . 2 . . . . . 105 VAL HG21 . 53588 1
1007 . 1 . 1 85 85 VAL HG22 H 1 0.907 0.009 . 2 . . . . . 105 VAL HG22 . 53588 1
1008 . 1 . 1 85 85 VAL HG23 H 1 0.907 0.009 . 2 . . . . . 105 VAL HG23 . 53588 1
1009 . 1 . 1 85 85 VAL C C 13 173.480 0.000 . 1 . . . . . 105 VAL C . 53588 1
1010 . 1 . 1 85 85 VAL CA C 13 59.985 0.011 . 1 . . . . . 105 VAL CA . 53588 1
1011 . 1 . 1 85 85 VAL CB C 13 36.033 0.000 . 1 . . . . . 105 VAL CB . 53588 1
1012 . 1 . 1 85 85 VAL CG1 C 13 19.851 0.001 . 2 . . . . . 105 VAL CG1 . 53588 1
1013 . 1 . 1 85 85 VAL CG2 C 13 21.304 0.041 . 2 . . . . . 105 VAL CG2 . 53588 1
1014 . 1 . 1 85 85 VAL N N 15 122.534 0.004 . 1 . . . . . 105 VAL N . 53588 1
1015 . 1 . 1 86 86 ARG H H 1 8.327 0.004 . 1 . . . . . 106 ARG H . 53588 1
1016 . 1 . 1 86 86 ARG HA H 1 4.175 0.006 . 1 . . . . . 106 ARG HA . 53588 1
1017 . 1 . 1 86 86 ARG HB2 H 1 1.225 0.006 . 2 . . . . . 106 ARG HB2 . 53588 1
1018 . 1 . 1 86 86 ARG HB3 H 1 1.413 0.008 . 2 . . . . . 106 ARG HB3 . 53588 1
1019 . 1 . 1 86 86 ARG HG2 H 1 0.702 0.003 . 2 . . . . . 106 ARG HG2 . 53588 1
1020 . 1 . 1 86 86 ARG HG3 H 1 0.703 0.003 . 2 . . . . . 106 ARG HG3 . 53588 1
1021 . 1 . 1 86 86 ARG HD2 H 1 2.939 0.002 . 2 . . . . . 106 ARG HD2 . 53588 1
1022 . 1 . 1 86 86 ARG HD3 H 1 2.964 0.000 . 2 . . . . . 106 ARG HD3 . 53588 1
1023 . 1 . 1 86 86 ARG HE H 1 7.092 0.003 . 1 . . . . . 106 ARG HE . 53588 1
1024 . 1 . 1 86 86 ARG C C 13 176.491 0.000 . 1 . . . . . 106 ARG C . 53588 1
1025 . 1 . 1 86 86 ARG CA C 13 54.987 0.049 . 1 . . . . . 106 ARG CA . 53588 1
1026 . 1 . 1 86 86 ARG CB C 13 31.037 0.103 . 1 . . . . . 106 ARG CB . 53588 1
1027 . 1 . 1 86 86 ARG CG C 13 27.463 0.043 . 1 . . . . . 106 ARG CG . 53588 1
1028 . 1 . 1 86 86 ARG CD C 13 43.729 0.015 . 1 . . . . . 106 ARG CD . 53588 1
1029 . 1 . 1 86 86 ARG CZ C 13 159.443 0.000 . 1 . . . . . 106 ARG CZ . 53588 1
1030 . 1 . 1 86 86 ARG N N 15 123.671 0.014 . 1 . . . . . 106 ARG N . 53588 1
1031 . 1 . 1 86 86 ARG NE N 15 85.186 0.000 . 1 . . . . . 106 ARG NE . 53588 1
1032 . 1 . 1 87 87 LYS H H 1 8.859 0.004 . 1 . . . . . 107 LYS H . 53588 1
1033 . 1 . 1 87 87 LYS HA H 1 4.008 0.012 . 1 . . . . . 107 LYS HA . 53588 1
1034 . 1 . 1 87 87 LYS HB2 H 1 1.684 0.008 . 2 . . . . . 107 LYS HB2 . 53588 1
1035 . 1 . 1 87 87 LYS HB3 H 1 1.902 0.005 . 2 . . . . . 107 LYS HB3 . 53588 1
1036 . 1 . 1 87 87 LYS HG2 H 1 1.266 0.016 . 2 . . . . . 107 LYS HG2 . 53588 1
1037 . 1 . 1 87 87 LYS HG3 H 1 1.379 0.000 . 2 . . . . . 107 LYS HG3 . 53588 1
1038 . 1 . 1 87 87 LYS C C 13 175.949 0.000 . 1 . . . . . 107 LYS C . 53588 1
1039 . 1 . 1 87 87 LYS CA C 13 56.695 0.029 . 1 . . . . . 107 LYS CA . 53588 1
1040 . 1 . 1 87 87 LYS CB C 13 32.017 0.025 . 1 . . . . . 107 LYS CB . 53588 1
1041 . 1 . 1 87 87 LYS CG C 13 24.187 0.000 . 1 . . . . . 107 LYS CG . 53588 1
1042 . 1 . 1 87 87 LYS N N 15 127.667 0.008 . 1 . . . . . 107 LYS N . 53588 1
1043 . 1 . 1 88 88 PHE H H 1 7.916 0.004 . 1 . . . . . 108 PHE H . 53588 1
1044 . 1 . 1 88 88 PHE HA H 1 4.479 0.008 . 1 . . . . . 108 PHE HA . 53588 1
1045 . 1 . 1 88 88 PHE HB2 H 1 3.042 0.009 . 2 . . . . . 108 PHE HB2 . 53588 1
1046 . 1 . 1 88 88 PHE HB3 H 1 3.050 0.007 . 2 . . . . . 108 PHE HB3 . 53588 1
1047 . 1 . 1 88 88 PHE HD1 H 1 7.316 0.002 . 1 . . . . . 108 PHE HD1 . 53588 1
1048 . 1 . 1 88 88 PHE HD2 H 1 7.316 0.002 . 1 . . . . . 108 PHE HD2 . 53588 1
1049 . 1 . 1 88 88 PHE CA C 13 59.309 0.036 . 1 . . . . . 108 PHE CA . 53588 1
1050 . 1 . 1 88 88 PHE CB C 13 41.098 0.013 . 1 . . . . . 108 PHE CB . 53588 1
1051 . 1 . 1 88 88 PHE N N 15 130.704 0.017 . 1 . . . . . 108 PHE N . 53588 1
stop_
save_