Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 19800
_Assigned_chem_shift_list.ID 1
_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
10 '3D 1H-13C NOESY aliphatic' 1 $sample_1 . 19800 1
11 '3D 1H-15N NOESY' 1 $sample_1 . 19800 1
12 '3D 1H-13C NOESY' 1 $sample_1 . 19800 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.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 LYS H H 1 8.508 0.003 . . . . . A 19 LYS H . 19800 1
2 . 1 1 1 1 LYS HA H 1 4.318 0.003 . . . . . A 19 LYS HA . 19800 1
3 . 1 1 1 1 LYS HB2 H 1 1.773 0.032 . . . . . A 19 LYS HB2 . 19800 1
4 . 1 1 1 1 LYS HB3 H 1 1.773 0.032 . . . . . A 19 LYS QB . 19800 1
5 . 1 1 1 1 LYS HG2 H 1 1.477 0 . . . . . A 19 LYS HG2 . 19800 1
6 . 1 1 1 1 LYS HG3 H 1 1.409 0.008 . . . . . A 19 LYS HG3 . 19800 1
7 . 1 1 1 1 LYS HD2 H 1 1.668 0.011 . . . . . A 19 LYS HD2 . 19800 1
8 . 1 1 1 1 LYS HD3 H 1 1.668 0.011 . . . . . A 19 LYS QD . 19800 1
9 . 1 1 1 1 LYS HE2 H 1 2.98 0.01 . . . . . A 19 LYS HE2 . 19800 1
10 . 1 1 1 1 LYS HE3 H 1 2.98 0.01 . . . . . A 19 LYS QE . 19800 1
11 . 1 1 1 1 LYS C C 13 176.021 0 . . . . . A 19 LYS C . 19800 1
12 . 1 1 1 1 LYS CA C 13 55.918 0.052 . . . . . A 19 LYS CA . 19800 1
13 . 1 1 1 1 LYS CB C 13 32.527 0.064 . . . . . A 19 LYS CB . 19800 1
14 . 1 1 1 1 LYS CG C 13 24.735 0.031 . . . . . A 19 LYS CG . 19800 1
15 . 1 1 1 1 LYS CD C 13 29.039 0.051 . . . . . A 19 LYS CD . 19800 1
16 . 1 1 1 1 LYS CE C 13 42.052 0.037 . . . . . A 19 LYS CE . 19800 1
17 . 1 1 1 1 LYS N N 15 122.797 0.028 . . . . . A 19 LYS N . 19800 1
18 . 1 1 2 2 ASP H H 1 8.066 0.005 . . . . . A 20 ASP H . 19800 1
19 . 1 1 2 2 ASP HA H 1 4.824 0.005 . . . . . A 20 ASP HA . 19800 1
20 . 1 1 2 2 ASP HB2 H 1 2.428 0.003 . . . . . A 20 ASP HB2 . 19800 1
21 . 1 1 2 2 ASP HB3 H 1 2.576 0.002 . . . . . A 20 ASP HB3 . 19800 1
22 . 1 1 2 2 ASP C C 13 176.378 0 . . . . . A 20 ASP C . 19800 1
23 . 1 1 2 2 ASP CA C 13 54.063 0.009 . . . . . A 20 ASP CA . 19800 1
24 . 1 1 2 2 ASP CB C 13 41.753 0.005 . . . . . A 20 ASP CB . 19800 1
25 . 1 1 2 2 ASP N N 15 121.855 0.045 . . . . . A 20 ASP N . 19800 1
26 . 1 1 3 3 LYS H H 1 9.136 0.003 . . . . . A 21 LYS H . 19800 1
27 . 1 1 3 3 LYS HA H 1 4.493 0.004 . . . . . A 21 LYS HA . 19800 1
28 . 1 1 3 3 LYS HB2 H 1 1.51 0.004 . . . . . A 21 LYS HB2 . 19800 1
29 . 1 1 3 3 LYS HB3 H 1 1.51 0.004 . . . . . A 21 LYS QB . 19800 1
30 . 1 1 3 3 LYS HG2 H 1 1.154 0.003 . . . . . A 21 LYS HG2 . 19800 1
31 . 1 1 3 3 LYS HG3 H 1 1.184 0.006 . . . . . A 21 LYS HG3 . 19800 1
32 . 1 1 3 3 LYS HD2 H 1 1.139 0 . . . . . A 21 LYS HD2 . 19800 1
33 . 1 1 3 3 LYS HD3 H 1 1.355 0.001 . . . . . A 21 LYS HD3 . 19800 1
34 . 1 1 3 3 LYS HE2 H 1 2.15 0 . . . . . A 21 LYS HE2 . 19800 1
35 . 1 1 3 3 LYS HE3 H 1 2.284 0 . . . . . A 21 LYS HE3 . 19800 1
36 . 1 1 3 3 LYS C C 13 175.887 0 . . . . . A 21 LYS C . 19800 1
37 . 1 1 3 3 LYS CA C 13 54.395 0.027 . . . . . A 21 LYS CA . 19800 1
38 . 1 1 3 3 LYS CB C 13 35.006 0.029 . . . . . A 21 LYS CB . 19800 1
39 . 1 1 3 3 LYS CG C 13 24.414 0.068 . . . . . A 21 LYS CG . 19800 1
40 . 1 1 3 3 LYS CD C 13 28.662 0.037 . . . . . A 21 LYS CD . 19800 1
41 . 1 1 3 3 LYS N N 15 121.556 0.011 . . . . . A 21 LYS N . 19800 1
42 . 1 1 4 4 ASP H H 1 8.429 0.003 . . . . . A 22 ASP H . 19800 1
43 . 1 1 4 4 ASP HA H 1 4.558 0.003 . . . . . A 22 ASP HA . 19800 1
44 . 1 1 4 4 ASP HB2 H 1 2.354 0.001 . . . . . A 22 ASP HB2 . 19800 1
45 . 1 1 4 4 ASP HB3 H 1 2.543 0.027 . . . . . A 22 ASP HB3 . 19800 1
46 . 1 1 4 4 ASP C C 13 175.402 0 . . . . . A 22 ASP C . 19800 1
47 . 1 1 4 4 ASP CA C 13 55.514 0.152 . . . . . A 22 ASP CA . 19800 1
48 . 1 1 4 4 ASP CB C 13 40.854 0.094 . . . . . A 22 ASP CB . 19800 1
49 . 1 1 4 4 ASP N N 15 123.097 0.023 . . . . . A 22 ASP N . 19800 1
50 . 1 1 5 5 LEU H H 1 9.313 0.003 . . . . . A 23 LEU H . 19800 1
51 . 1 1 5 5 LEU HA H 1 4.68 0.003 . . . . . A 23 LEU HA . 19800 1
52 . 1 1 5 5 LEU HB2 H 1 1.716 0.001 . . . . . A 23 LEU HB2 . 19800 1
53 . 1 1 5 5 LEU HB3 H 1 1.31 0.002 . . . . . A 23 LEU HB3 . 19800 1
54 . 1 1 5 5 LEU HG H 1 1.475 0 . . . . . A 23 LEU HG . 19800 1
55 . 1 1 5 5 LEU HD11 H 1 0.659 0.002 . . . . . A 23 LEU HD11 . 19800 1
56 . 1 1 5 5 LEU HD12 H 1 0.659 0.002 . . . . . A 23 LEU HD12 . 19800 1
57 . 1 1 5 5 LEU HD13 H 1 0.659 0.002 . . . . . A 23 LEU HD13 . 19800 1
58 . 1 1 5 5 LEU HD21 H 1 0.712 0.002 . . . . . A 23 LEU HD21 . 19800 1
59 . 1 1 5 5 LEU HD22 H 1 0.712 0.002 . . . . . A 23 LEU HD22 . 19800 1
60 . 1 1 5 5 LEU HD23 H 1 0.712 0.002 . . . . . A 23 LEU HD23 . 19800 1
61 . 1 1 5 5 LEU C C 13 176.338 0 . . . . . A 23 LEU C . 19800 1
62 . 1 1 5 5 LEU CA C 13 56.204 0.059 . . . . . A 23 LEU CA . 19800 1
63 . 1 1 5 5 LEU CB C 13 45.211 0.023 . . . . . A 23 LEU CB . 19800 1
64 . 1 1 5 5 LEU CD1 C 13 24.805 0.057 . . . . . A 23 LEU CD1 . 19800 1
65 . 1 1 5 5 LEU CD2 C 13 27.408 0.077 . . . . . A 23 LEU CD2 . 19800 1
66 . 1 1 5 5 LEU N N 15 126.265 0.013 . . . . . A 23 LEU N . 19800 1
67 . 1 1 6 6 LEU H H 1 7.346 0.002 . . . . . A 24 LEU H . 19800 1
68 . 1 1 6 6 LEU HA H 1 4.789 0 . . . . . A 24 LEU HA . 19800 1
69 . 1 1 6 6 LEU HB2 H 1 1.406 0.002 . . . . . A 24 LEU HB2 . 19800 1
70 . 1 1 6 6 LEU HB3 H 1 1.551 0.007 . . . . . A 24 LEU HB3 . 19800 1
71 . 1 1 6 6 LEU HD11 H 1 0.902 0.008 . . . . . A 24 LEU HD11 . 19800 1
72 . 1 1 6 6 LEU HD12 H 1 0.902 0.008 . . . . . A 24 LEU HD12 . 19800 1
73 . 1 1 6 6 LEU HD13 H 1 0.902 0.008 . . . . . A 24 LEU HD13 . 19800 1
74 . 1 1 6 6 LEU HD21 H 1 1.034 0.007 . . . . . A 24 LEU HD21 . 19800 1
75 . 1 1 6 6 LEU HD22 H 1 1.034 0.007 . . . . . A 24 LEU HD22 . 19800 1
76 . 1 1 6 6 LEU HD23 H 1 1.034 0.007 . . . . . A 24 LEU HD23 . 19800 1
77 . 1 1 6 6 LEU C C 13 174.976 0 . . . . . A 24 LEU C . 19800 1
78 . 1 1 6 6 LEU CA C 13 53.674 0.035 . . . . . A 24 LEU CA . 19800 1
79 . 1 1 6 6 LEU CB C 13 49.345 0.018 . . . . . A 24 LEU CB . 19800 1
80 . 1 1 6 6 LEU CG C 13 23.722 0 . . . . . A 24 LEU CG . 19800 1
81 . 1 1 6 6 LEU CD1 C 13 27.484 0.068 . . . . . A 24 LEU CD1 . 19800 1
82 . 1 1 6 6 LEU CD2 C 13 23.674 0.094 . . . . . A 24 LEU CD2 . 19800 1
83 . 1 1 6 6 LEU N N 15 114.484 0.013 . . . . . A 24 LEU N . 19800 1
84 . 1 1 7 7 LYS H H 1 8.516 0.003 . . . . . A 25 LYS H . 19800 1
85 . 1 1 7 7 LYS HA H 1 4.994 0.002 . . . . . A 25 LYS HA . 19800 1
86 . 1 1 7 7 LYS HB2 H 1 1.883 0.002 . . . . . A 25 LYS HB2 . 19800 1
87 . 1 1 7 7 LYS HB3 H 1 1.664 0.013 . . . . . A 25 LYS HB3 . 19800 1
88 . 1 1 7 7 LYS HG2 H 1 1.32 0.004 . . . . . A 25 LYS HG2 . 19800 1
89 . 1 1 7 7 LYS HG3 H 1 1.416 0.004 . . . . . A 25 LYS HG3 . 19800 1
90 . 1 1 7 7 LYS HE2 H 1 2.913 0.001 . . . . . A 25 LYS HE2 . 19800 1
91 . 1 1 7 7 LYS HE3 H 1 2.913 0.001 . . . . . A 25 LYS QE . 19800 1
92 . 1 1 7 7 LYS C C 13 176.242 0 . . . . . A 25 LYS C . 19800 1
93 . 1 1 7 7 LYS CA C 13 55.21 0.048 . . . . . A 25 LYS CA . 19800 1
94 . 1 1 7 7 LYS CB C 13 35.992 0.021 . . . . . A 25 LYS CB . 19800 1
95 . 1 1 7 7 LYS CG C 13 23.95 0.029 . . . . . A 25 LYS CG . 19800 1
96 . 1 1 7 7 LYS CD C 13 29.048 0 . . . . . A 25 LYS CD . 19800 1
97 . 1 1 7 7 LYS CE C 13 41.943 0.026 . . . . . A 25 LYS CE . 19800 1
98 . 1 1 7 7 LYS N N 15 118.529 0.008 . . . . . A 25 LYS N . 19800 1
99 . 1 1 8 8 GLY H H 1 8.265 0.002 . . . . . A 26 GLY H . 19800 1
100 . 1 1 8 8 GLY HA2 H 1 3.957 0.002 . . . . . A 26 GLY HA2 . 19800 1
101 . 1 1 8 8 GLY HA3 H 1 4.188 0.002 . . . . . A 26 GLY HA3 . 19800 1
102 . 1 1 8 8 GLY C C 13 176.034 0 . . . . . A 26 GLY C . 19800 1
103 . 1 1 8 8 GLY CA C 13 46.394 0.02 . . . . . A 26 GLY CA . 19800 1
104 . 1 1 8 8 GLY N N 15 107.756 0.014 . . . . . A 26 GLY N . 19800 1
105 . 1 1 9 9 LEU H H 1 8.884 0.004 . . . . . A 27 LEU H . 19800 1
106 . 1 1 9 9 LEU HA H 1 4.601 0.003 . . . . . A 27 LEU HA . 19800 1
107 . 1 1 9 9 LEU HB2 H 1 1.754 0 . . . . . A 27 LEU HB2 . 19800 1
108 . 1 1 9 9 LEU HB3 H 1 1.738 0.004 . . . . . A 27 LEU HB3 . 19800 1
109 . 1 1 9 9 LEU HG H 1 1.535 0.005 . . . . . A 27 LEU HG . 19800 1
110 . 1 1 9 9 LEU HD11 H 1 0.737 0.003 . . . . . A 27 LEU HD11 . 19800 1
111 . 1 1 9 9 LEU HD12 H 1 0.737 0.003 . . . . . A 27 LEU HD12 . 19800 1
112 . 1 1 9 9 LEU HD13 H 1 0.737 0.003 . . . . . A 27 LEU HD13 . 19800 1
113 . 1 1 9 9 LEU HD21 H 1 0.657 0.003 . . . . . A 27 LEU HD21 . 19800 1
114 . 1 1 9 9 LEU HD22 H 1 0.657 0.003 . . . . . A 27 LEU HD22 . 19800 1
115 . 1 1 9 9 LEU HD23 H 1 0.657 0.003 . . . . . A 27 LEU HD23 . 19800 1
116 . 1 1 9 9 LEU C C 13 179.874 0 . . . . . A 27 LEU C . 19800 1
117 . 1 1 9 9 LEU CA C 13 54.325 0.006 . . . . . A 27 LEU CA . 19800 1
118 . 1 1 9 9 LEU CB C 13 43.622 0.014 . . . . . A 27 LEU CB . 19800 1
119 . 1 1 9 9 LEU CG C 13 26.485 0 . . . . . A 27 LEU CG . 19800 1
120 . 1 1 9 9 LEU CD1 C 13 21.913 0.137 . . . . . A 27 LEU CD1 . 19800 1
121 . 1 1 9 9 LEU CD2 C 13 26.366 0.082 . . . . . A 27 LEU CD2 . 19800 1
122 . 1 1 9 9 LEU N N 15 120.147 0.018 . . . . . A 27 LEU N . 19800 1
123 . 1 1 10 10 ASP H H 1 8.555 0.004 . . . . . A 28 ASP H . 19800 1
124 . 1 1 10 10 ASP HA H 1 5.096 0.003 . . . . . A 28 ASP HA . 19800 1
125 . 1 1 10 10 ASP HB2 H 1 2.75 0.006 . . . . . A 28 ASP HB2 . 19800 1
126 . 1 1 10 10 ASP HB3 H 1 3.185 0.002 . . . . . A 28 ASP HB3 . 19800 1
127 . 1 1 10 10 ASP C C 13 177.406 0 . . . . . A 28 ASP C . 19800 1
128 . 1 1 10 10 ASP CA C 13 52.835 0.17 . . . . . A 28 ASP CA . 19800 1
129 . 1 1 10 10 ASP CB C 13 41.18 0.01 . . . . . A 28 ASP CB . 19800 1
130 . 1 1 10 10 ASP N N 15 119.966 0.01 . . . . . A 28 ASP N . 19800 1
131 . 1 1 11 11 GLN H H 1 8.705 0.002 . . . . . A 29 GLN H . 19800 1
132 . 1 1 11 11 GLN HA H 1 2.969 0.002 . . . . . A 29 GLN HA . 19800 1
133 . 1 1 11 11 GLN HB2 H 1 1.962 0.005 . . . . . A 29 GLN HB2 . 19800 1
134 . 1 1 11 11 GLN HB3 H 1 1.962 0.005 . . . . . A 29 GLN QB . 19800 1
135 . 1 1 11 11 GLN HG2 H 1 2.137 0.002 . . . . . A 29 GLN HG2 . 19800 1
136 . 1 1 11 11 GLN HG3 H 1 1.81 0.003 . . . . . A 29 GLN HG3 . 19800 1
137 . 1 1 11 11 GLN C C 13 178.379 0 . . . . . A 29 GLN C . 19800 1
138 . 1 1 11 11 GLN CA C 13 59.978 0.008 . . . . . A 29 GLN CA . 19800 1
139 . 1 1 11 11 GLN CB C 13 28.897 0.084 . . . . . A 29 GLN CB . 19800 1
140 . 1 1 11 11 GLN CG C 13 34.174 0.136 . . . . . A 29 GLN CG . 19800 1
141 . 1 1 11 11 GLN N N 15 118.219 0.021 . . . . . A 29 GLN N . 19800 1
142 . 1 1 12 12 GLU H H 1 8.135 0.005 . . . . . A 30 GLU H . 19800 1
143 . 1 1 12 12 GLU HA H 1 3.986 0.002 . . . . . A 30 GLU HA . 19800 1
144 . 1 1 12 12 GLU HB2 H 1 2.054 0.013 . . . . . A 30 GLU HB2 . 19800 1
145 . 1 1 12 12 GLU HB3 H 1 2.054 0.013 . . . . . A 30 GLU QB . 19800 1
146 . 1 1 12 12 GLU HG2 H 1 2.303 0.003 . . . . . A 30 GLU HG2 . 19800 1
147 . 1 1 12 12 GLU HG3 H 1 2.303 0.003 . . . . . A 30 GLU QG . 19800 1
148 . 1 1 12 12 GLU C C 13 182.812 0 . . . . . A 30 GLU C . 19800 1
149 . 1 1 12 12 GLU CA C 13 59.73 0.05 . . . . . A 30 GLU CA . 19800 1
150 . 1 1 12 12 GLU CB C 13 28.936 0.047 . . . . . A 30 GLU CB . 19800 1
151 . 1 1 12 12 GLU CG C 13 36.681 0.041 . . . . . A 30 GLU CG . 19800 1
152 . 1 1 12 12 GLU N N 15 118.429 0.008 . . . . . A 30 GLU N . 19800 1
153 . 1 1 13 13 GLN H H 1 8.742 0.003 . . . . . A 31 GLN H . 19800 1
154 . 1 1 13 13 GLN HA H 1 4.068 0.003 . . . . . A 31 GLN HA . 19800 1
155 . 1 1 13 13 GLN HB2 H 1 1.894 0.003 . . . . . A 31 GLN HB2 . 19800 1
156 . 1 1 13 13 GLN HB3 H 1 2.321 0.002 . . . . . A 31 GLN HB3 . 19800 1
157 . 1 1 13 13 GLN HG2 H 1 2.403 0.001 . . . . . A 31 GLN HG2 . 19800 1
158 . 1 1 13 13 GLN HG3 H 1 2.799 0 . . . . . A 31 GLN HG3 . 19800 1
159 . 1 1 13 13 GLN C C 13 180.864 0 . . . . . A 31 GLN C . 19800 1
160 . 1 1 13 13 GLN CA C 13 58.612 0.023 . . . . . A 31 GLN CA . 19800 1
161 . 1 1 13 13 GLN CB C 13 29.844 0.083 . . . . . A 31 GLN CB . 19800 1
162 . 1 1 13 13 GLN CG C 13 34.424 0.01 . . . . . A 31 GLN CG . 19800 1
163 . 1 1 13 13 GLN N N 15 120.672 0.005 . . . . . A 31 GLN N . 19800 1
164 . 1 1 14 14 ALA H H 1 8.408 0.003 . . . . . A 32 ALA H . 19800 1
165 . 1 1 14 14 ALA HA H 1 3.771 0.002 . . . . . A 32 ALA HA . 19800 1
166 . 1 1 14 14 ALA HB1 H 1 1.033 0.004 . . . . . A 32 ALA HB1 . 19800 1
167 . 1 1 14 14 ALA HB2 H 1 1.033 0.004 . . . . . A 32 ALA HB2 . 19800 1
168 . 1 1 14 14 ALA HB3 H 1 1.033 0.004 . . . . . A 32 ALA HB3 . 19800 1
169 . 1 1 14 14 ALA C C 13 180.339 0 . . . . . A 32 ALA C . 19800 1
170 . 1 1 14 14 ALA CA C 13 55.122 0.04 . . . . . A 32 ALA CA . 19800 1
171 . 1 1 14 14 ALA CB C 13 17.289 0.077 . . . . . A 32 ALA CB . 19800 1
172 . 1 1 14 14 ALA N N 15 120.2 0.011 . . . . . A 32 ALA N . 19800 1
173 . 1 1 15 15 ASN H H 1 8.077 0.003 . . . . . A 33 ASN H . 19800 1
174 . 1 1 15 15 ASN HA H 1 4.292 0.002 . . . . . A 33 ASN HA . 19800 1
175 . 1 1 15 15 ASN HB2 H 1 2.705 0.002 . . . . . A 33 ASN HB2 . 19800 1
176 . 1 1 15 15 ASN HB3 H 1 2.854 0.016 . . . . . A 33 ASN HB3 . 19800 1
177 . 1 1 15 15 ASN C C 13 180.713 0 . . . . . A 33 ASN C . 19800 1
178 . 1 1 15 15 ASN CA C 13 55.479 0.015 . . . . . A 33 ASN CA . 19800 1
179 . 1 1 15 15 ASN CB C 13 37.104 0.038 . . . . . A 33 ASN CB . 19800 1
180 . 1 1 15 15 ASN N N 15 115.507 0.017 . . . . . A 33 ASN N . 19800 1
181 . 1 1 16 16 GLU H H 1 7.973 0.003 . . . . . A 34 GLU H . 19800 1
182 . 1 1 16 16 GLU HA H 1 4.083 0.002 . . . . . A 34 GLU HA . 19800 1
183 . 1 1 16 16 GLU HB2 H 1 2.188 0.015 . . . . . A 34 GLU HB2 . 19800 1
184 . 1 1 16 16 GLU HB3 H 1 2.188 0.015 . . . . . A 34 GLU QB . 19800 1
185 . 1 1 16 16 GLU HG2 H 1 2.386 0.001 . . . . . A 34 GLU HG2 . 19800 1
186 . 1 1 16 16 GLU HG3 H 1 2.386 0.001 . . . . . A 34 GLU QG . 19800 1
187 . 1 1 16 16 GLU C C 13 180.367 0 . . . . . A 34 GLU C . 19800 1
188 . 1 1 16 16 GLU CA C 13 59.486 0.035 . . . . . A 34 GLU CA . 19800 1
189 . 1 1 16 16 GLU CB C 13 29.37 0.031 . . . . . A 34 GLU CB . 19800 1
190 . 1 1 16 16 GLU CG C 13 36.07 0.014 . . . . . A 34 GLU CG . 19800 1
191 . 1 1 16 16 GLU N N 15 122.826 0.01 . . . . . A 34 GLU N . 19800 1
192 . 1 1 17 17 VAL H H 1 8.025 0.002 . . . . . A 35 VAL H . 19800 1
193 . 1 1 17 17 VAL HA H 1 3.373 0.002 . . . . . A 35 VAL HA . 19800 1
194 . 1 1 17 17 VAL HB H 1 1.969 0.002 . . . . . A 35 VAL HB . 19800 1
195 . 1 1 17 17 VAL HG11 H 1 0.742 0.01 . . . . . A 35 VAL HG11 . 19800 1
196 . 1 1 17 17 VAL HG12 H 1 0.742 0.01 . . . . . A 35 VAL HG12 . 19800 1
197 . 1 1 17 17 VAL HG13 H 1 0.742 0.01 . . . . . A 35 VAL HG13 . 19800 1
198 . 1 1 17 17 VAL HG21 H 1 0.745 0.006 . . . . . A 35 VAL HG21 . 19800 1
199 . 1 1 17 17 VAL HG22 H 1 0.745 0.006 . . . . . A 35 VAL HG22 . 19800 1
200 . 1 1 17 17 VAL HG23 H 1 0.745 0.006 . . . . . A 35 VAL HG23 . 19800 1
201 . 1 1 17 17 VAL C C 13 179.502 0 . . . . . A 35 VAL C . 19800 1
202 . 1 1 17 17 VAL CA C 13 66.809 0.041 . . . . . A 35 VAL CA . 19800 1
203 . 1 1 17 17 VAL CB C 13 31 0 . . . . . A 35 VAL CB . 19800 1
204 . 1 1 17 17 VAL CG1 C 13 22.474 0.029 . . . . . A 35 VAL CG1 . 19800 1
205 . 1 1 17 17 VAL CG2 C 13 22.183 0.013 . . . . . A 35 VAL CG2 . 19800 1
206 . 1 1 17 17 VAL N N 15 119.909 0.007 . . . . . A 35 VAL N . 19800 1
207 . 1 1 18 18 ILE H H 1 8.031 0.004 . . . . . A 36 ILE H . 19800 1
208 . 1 1 18 18 ILE HA H 1 3.514 0.002 . . . . . A 36 ILE HA . 19800 1
209 . 1 1 18 18 ILE HB H 1 2.011 0.001 . . . . . A 36 ILE HB . 19800 1
210 . 1 1 18 18 ILE HG12 H 1 1.524 0.001 . . . . . A 36 ILE HG12 . 19800 1
211 . 1 1 18 18 ILE HG13 H 1 1.352 0.002 . . . . . A 36 ILE HG13 . 19800 1
212 . 1 1 18 18 ILE HG21 H 1 0.902 0.002 . . . . . A 36 ILE HG21 . 19800 1
213 . 1 1 18 18 ILE HG22 H 1 0.902 0.002 . . . . . A 36 ILE HG22 . 19800 1
214 . 1 1 18 18 ILE HG23 H 1 0.902 0.002 . . . . . A 36 ILE HG23 . 19800 1
215 . 1 1 18 18 ILE HD11 H 1 0.695 0.003 . . . . . A 36 ILE HD11 . 19800 1
216 . 1 1 18 18 ILE HD12 H 1 0.695 0.003 . . . . . A 36 ILE HD12 . 19800 1
217 . 1 1 18 18 ILE HD13 H 1 0.695 0.003 . . . . . A 36 ILE HD13 . 19800 1
218 . 1 1 18 18 ILE C C 13 180.436 0 . . . . . A 36 ILE C . 19800 1
219 . 1 1 18 18 ILE CA C 13 64.355 0.039 . . . . . A 36 ILE CA . 19800 1
220 . 1 1 18 18 ILE CB C 13 36.534 0.023 . . . . . A 36 ILE CB . 19800 1
221 . 1 1 18 18 ILE CG1 C 13 28.463 0.063 . . . . . A 36 ILE CG1 . 19800 1
222 . 1 1 18 18 ILE CG2 C 13 16.82 0.094 . . . . . A 36 ILE CG2 . 19800 1
223 . 1 1 18 18 ILE CD1 C 13 11.96 0.104 . . . . . A 36 ILE CD1 . 19800 1
224 . 1 1 18 18 ILE N N 15 118.626 0.017 . . . . . A 36 ILE N . 19800 1
225 . 1 1 19 19 ALA H H 1 7.69 0.003 . . . . . A 37 ALA H . 19800 1
226 . 1 1 19 19 ALA HA H 1 4.145 0.001 . . . . . A 37 ALA HA . 19800 1
227 . 1 1 19 19 ALA HB1 H 1 1.482 0.002 . . . . . A 37 ALA HB1 . 19800 1
228 . 1 1 19 19 ALA HB2 H 1 1.482 0.002 . . . . . A 37 ALA HB2 . 19800 1
229 . 1 1 19 19 ALA HB3 H 1 1.482 0.002 . . . . . A 37 ALA HB3 . 19800 1
230 . 1 1 19 19 ALA C C 13 183.902 0 . . . . . A 37 ALA C . 19800 1
231 . 1 1 19 19 ALA CA C 13 55.433 0 . . . . . A 37 ALA CA . 19800 1
232 . 1 1 19 19 ALA CB C 13 17.807 0.09 . . . . . A 37 ALA CB . 19800 1
233 . 1 1 19 19 ALA N N 15 122.361 0.007 . . . . . A 37 ALA N . 19800 1
234 . 1 1 20 20 VAL H H 1 8.177 0.001 . . . . . A 38 VAL H . 19800 1
235 . 1 1 20 20 VAL HA H 1 3.63 0.002 . . . . . A 38 VAL HA . 19800 1
236 . 1 1 20 20 VAL HB H 1 2.113 0.001 . . . . . A 38 VAL HB . 19800 1
237 . 1 1 20 20 VAL HG11 H 1 0.988 0.016 . . . . . A 38 VAL HG11 . 19800 1
238 . 1 1 20 20 VAL HG12 H 1 0.988 0.016 . . . . . A 38 VAL HG12 . 19800 1
239 . 1 1 20 20 VAL HG13 H 1 0.988 0.016 . . . . . A 38 VAL HG13 . 19800 1
240 . 1 1 20 20 VAL HG21 H 1 0.911 0.01 . . . . . A 38 VAL HG21 . 19800 1
241 . 1 1 20 20 VAL HG22 H 1 0.911 0.01 . . . . . A 38 VAL HG22 . 19800 1
242 . 1 1 20 20 VAL HG23 H 1 0.911 0.01 . . . . . A 38 VAL HG23 . 19800 1
243 . 1 1 20 20 VAL C C 13 180.529 0 . . . . . A 38 VAL C . 19800 1
244 . 1 1 20 20 VAL CA C 13 66.453 0.045 . . . . . A 38 VAL CA . 19800 1
245 . 1 1 20 20 VAL CB C 13 31.763 0.039 . . . . . A 38 VAL CB . 19800 1
246 . 1 1 20 20 VAL CG1 C 13 22.658 0.079 . . . . . A 38 VAL CG1 . 19800 1
247 . 1 1 20 20 VAL CG2 C 13 20.969 0.075 . . . . . A 38 VAL CG2 . 19800 1
248 . 1 1 20 20 VAL N N 15 120.987 0.006 . . . . . A 38 VAL N . 19800 1
249 . 1 1 21 21 LEU H H 1 8.197 0.002 . . . . . A 39 LEU H . 19800 1
250 . 1 1 21 21 LEU HA H 1 3.929 0.007 . . . . . A 39 LEU HA . 19800 1
251 . 1 1 21 21 LEU HB2 H 1 1.488 0.001 . . . . . A 39 LEU HB2 . 19800 1
252 . 1 1 21 21 LEU HB3 H 1 1.833 0.01 . . . . . A 39 LEU HB3 . 19800 1
253 . 1 1 21 21 LEU HG H 1 0.576 0.003 . . . . . A 39 LEU HG . 19800 1
254 . 1 1 21 21 LEU HD11 H 1 0.907 0.002 . . . . . A 39 LEU HD11 . 19800 1
255 . 1 1 21 21 LEU HD12 H 1 0.907 0.002 . . . . . A 39 LEU HD12 . 19800 1
256 . 1 1 21 21 LEU HD13 H 1 0.907 0.002 . . . . . A 39 LEU HD13 . 19800 1
257 . 1 1 21 21 LEU C C 13 183.063 0 . . . . . A 39 LEU C . 19800 1
258 . 1 1 21 21 LEU CA C 13 58.544 0.038 . . . . . A 39 LEU CA . 19800 1
259 . 1 1 21 21 LEU CB C 13 39.409 0.019 . . . . . A 39 LEU CB . 19800 1
260 . 1 1 21 21 LEU CG C 13 26.616 0.077 . . . . . A 39 LEU CG . 19800 1
261 . 1 1 21 21 LEU CD1 C 13 22.814 0.063 . . . . . A 39 LEU CD1 . 19800 1
262 . 1 1 21 21 LEU N N 15 119.408 0.012 . . . . . A 39 LEU N . 19800 1
263 . 1 1 22 22 GLN H H 1 8.615 0.003 . . . . . A 40 GLN H . 19800 1
264 . 1 1 22 22 GLN HA H 1 3.928 0.006 . . . . . A 40 GLN HA . 19800 1
265 . 1 1 22 22 GLN HB2 H 1 2.088 0.003 . . . . . A 40 GLN HB2 . 19800 1
266 . 1 1 22 22 GLN HB3 H 1 2.274 0.003 . . . . . A 40 GLN HB3 . 19800 1
267 . 1 1 22 22 GLN HG2 H 1 2.509 0 . . . . . A 40 GLN HG2 . 19800 1
268 . 1 1 22 22 GLN HG3 H 1 2.358 0 . . . . . A 40 GLN HG3 . 19800 1
269 . 1 1 22 22 GLN C C 13 183.366 0 . . . . . A 40 GLN C . 19800 1
270 . 1 1 22 22 GLN CA C 13 59.324 0.041 . . . . . A 40 GLN CA . 19800 1
271 . 1 1 22 22 GLN CB C 13 28.254 0.03 . . . . . A 40 GLN CB . 19800 1
272 . 1 1 22 22 GLN CG C 13 34.149 0 . . . . . A 40 GLN CG . 19800 1
273 . 1 1 22 22 GLN N N 15 121.514 0.043 . . . . . A 40 GLN N . 19800 1
274 . 1 1 23 23 MET H H 1 7.706 0.003 . . . . . A 41 MET H . 19800 1
275 . 1 1 23 23 MET HA H 1 4.032 0.004 . . . . . A 41 MET HA . 19800 1
276 . 1 1 23 23 MET HB2 H 1 1.764 0.002 . . . . . A 41 MET HB2 . 19800 1
277 . 1 1 23 23 MET HB3 H 1 2.35 0.019 . . . . . A 41 MET HB3 . 19800 1
278 . 1 1 23 23 MET HG2 H 1 2.026 0.001 . . . . . A 41 MET HG2 . 19800 1
279 . 1 1 23 23 MET HG3 H 1 2.353 0 . . . . . A 41 MET HG3 . 19800 1
280 . 1 1 23 23 MET C C 13 177.125 0 . . . . . A 41 MET C . 19800 1
281 . 1 1 23 23 MET CA C 13 57.763 0.035 . . . . . A 41 MET CA . 19800 1
282 . 1 1 23 23 MET CB C 13 31.579 0.166 . . . . . A 41 MET CB . 19800 1
283 . 1 1 23 23 MET CG C 13 31.48 0.013 . . . . . A 41 MET CG . 19800 1
284 . 1 1 23 23 MET N N 15 119.672 0.011 . . . . . A 41 MET N . 19800 1
285 . 1 1 24 24 HIS H H 1 7.218 0.003 . . . . . A 42 HIS H . 19800 1
286 . 1 1 24 24 HIS HA H 1 4.371 0.001 . . . . . A 42 HIS HA . 19800 1
287 . 1 1 24 24 HIS HB2 H 1 2.178 0.001 . . . . . A 42 HIS HB2 . 19800 1
288 . 1 1 24 24 HIS HB3 H 1 3 0.002 . . . . . A 42 HIS HB3 . 19800 1
289 . 1 1 24 24 HIS HD2 H 1 6.729 0.003 . . . . . A 42 HIS HD2 . 19800 1
290 . 1 1 24 24 HIS HE1 H 1 6.724 0 . . . . . A 42 HIS HE1 . 19800 1
291 . 1 1 24 24 HIS C C 13 171.216 0 . . . . . A 42 HIS C . 19800 1
292 . 1 1 24 24 HIS CA C 13 54.601 0.007 . . . . . A 42 HIS CA . 19800 1
293 . 1 1 24 24 HIS CB C 13 27.399 0.052 . . . . . A 42 HIS CB . 19800 1
294 . 1 1 24 24 HIS CD2 C 13 119.787 0.156 . . . . . A 42 HIS CD2 . 19800 1
295 . 1 1 24 24 HIS N N 15 115.329 0.011 . . . . . A 42 HIS N . 19800 1
296 . 1 1 25 25 ASN H H 1 7.855 0.003 . . . . . A 43 ASN H . 19800 1
297 . 1 1 25 25 ASN HA H 1 4.293 0.002 . . . . . A 43 ASN HA . 19800 1
298 . 1 1 25 25 ASN HB2 H 1 2.821 0.001 . . . . . A 43 ASN HB2 . 19800 1
299 . 1 1 25 25 ASN HB3 H 1 3.106 0.002 . . . . . A 43 ASN HB3 . 19800 1
300 . 1 1 25 25 ASN C C 13 173.011 0 . . . . . A 43 ASN C . 19800 1
301 . 1 1 25 25 ASN CA C 13 54.571 0.023 . . . . . A 43 ASN CA . 19800 1
302 . 1 1 25 25 ASN CB C 13 36.981 0.02 . . . . . A 43 ASN CB . 19800 1
303 . 1 1 25 25 ASN N N 15 112.995 0.008 . . . . . A 43 ASN N . 19800 1
304 . 1 1 26 26 ILE H H 1 7.978 0.002 . . . . . A 44 ILE H . 19800 1
305 . 1 1 26 26 ILE HA H 1 4.225 0.003 . . . . . A 44 ILE HA . 19800 1
306 . 1 1 26 26 ILE HB H 1 1.592 0.002 . . . . . A 44 ILE HB . 19800 1
307 . 1 1 26 26 ILE HG12 H 1 1.654 0.002 . . . . . A 44 ILE HG12 . 19800 1
308 . 1 1 26 26 ILE HG13 H 1 1.654 0.002 . . . . . A 44 ILE QG1 . 19800 1
309 . 1 1 26 26 ILE HG21 H 1 0.855 0.004 . . . . . A 44 ILE HG21 . 19800 1
310 . 1 1 26 26 ILE HG22 H 1 0.855 0.004 . . . . . A 44 ILE HG22 . 19800 1
311 . 1 1 26 26 ILE HG23 H 1 0.855 0.004 . . . . . A 44 ILE HG23 . 19800 1
312 . 1 1 26 26 ILE HD11 H 1 0.996 0.002 . . . . . A 44 ILE HD11 . 19800 1
313 . 1 1 26 26 ILE HD12 H 1 0.996 0.002 . . . . . A 44 ILE HD12 . 19800 1
314 . 1 1 26 26 ILE HD13 H 1 0.996 0.002 . . . . . A 44 ILE HD13 . 19800 1
315 . 1 1 26 26 ILE C C 13 174.63 0 . . . . . A 44 ILE C . 19800 1
316 . 1 1 26 26 ILE CA C 13 60.469 0.038 . . . . . A 44 ILE CA . 19800 1
317 . 1 1 26 26 ILE CB C 13 39.933 0.019 . . . . . A 44 ILE CB . 19800 1
318 . 1 1 26 26 ILE CG1 C 13 27.408 0 . . . . . A 44 ILE CG1 . 19800 1
319 . 1 1 26 26 ILE CG2 C 13 17.382 0.079 . . . . . A 44 ILE CG2 . 19800 1
320 . 1 1 26 26 ILE CD1 C 13 14.477 0.086 . . . . . A 44 ILE CD1 . 19800 1
321 . 1 1 26 26 ILE N N 15 120.077 0.011 . . . . . A 44 ILE N . 19800 1
322 . 1 1 27 27 GLU H H 1 8.866 0.003 . . . . . A 45 GLU H . 19800 1
323 . 1 1 27 27 GLU HA H 1 4.144 0.002 . . . . . A 45 GLU HA . 19800 1
324 . 1 1 27 27 GLU HB2 H 1 2.007 0.004 . . . . . A 45 GLU HB2 . 19800 1
325 . 1 1 27 27 GLU HB3 H 1 1.921 0.009 . . . . . A 45 GLU HB3 . 19800 1
326 . 1 1 27 27 GLU HG2 H 1 2.146 0.002 . . . . . A 45 GLU HG2 . 19800 1
327 . 1 1 27 27 GLU HG3 H 1 2.286 0.009 . . . . . A 45 GLU HG3 . 19800 1
328 . 1 1 27 27 GLU C C 13 174.368 0 . . . . . A 45 GLU C . 19800 1
329 . 1 1 27 27 GLU CA C 13 56.121 0.01 . . . . . A 45 GLU CA . 19800 1
330 . 1 1 27 27 GLU CB C 13 29.979 0 . . . . . A 45 GLU CB . 19800 1
331 . 1 1 27 27 GLU CG C 13 36.22 0.028 . . . . . A 45 GLU CG . 19800 1
332 . 1 1 27 27 GLU N N 15 129.083 0.017 . . . . . A 45 GLU N . 19800 1
333 . 1 1 28 28 ALA H H 1 7.897 0.003 . . . . . A 46 ALA H . 19800 1
334 . 1 1 28 28 ALA HA H 1 5.087 0.003 . . . . . A 46 ALA HA . 19800 1
335 . 1 1 28 28 ALA HB1 H 1 1.247 0.003 . . . . . A 46 ALA HB1 . 19800 1
336 . 1 1 28 28 ALA HB2 H 1 1.247 0.003 . . . . . A 46 ALA HB2 . 19800 1
337 . 1 1 28 28 ALA HB3 H 1 1.247 0.003 . . . . . A 46 ALA HB3 . 19800 1
338 . 1 1 28 28 ALA C C 13 175.515 0 . . . . . A 46 ALA C . 19800 1
339 . 1 1 28 28 ALA CA C 13 50.426 0.009 . . . . . A 46 ALA CA . 19800 1
340 . 1 1 28 28 ALA CB C 13 23.581 0.044 . . . . . A 46 ALA CB . 19800 1
341 . 1 1 28 28 ALA N N 15 127.014 0.009 . . . . . A 46 ALA N . 19800 1
342 . 1 1 29 29 ASN H H 1 8.712 0.002 . . . . . A 47 ASN H . 19800 1
343 . 1 1 29 29 ASN HA H 1 5.059 0.001 . . . . . A 47 ASN HA . 19800 1
344 . 1 1 29 29 ASN HB2 H 1 2.54 0.003 . . . . . A 47 ASN HB2 . 19800 1
345 . 1 1 29 29 ASN HB3 H 1 2.784 0.002 . . . . . A 47 ASN HB3 . 19800 1
346 . 1 1 29 29 ASN C C 13 172.618 0 . . . . . A 47 ASN C . 19800 1
347 . 1 1 29 29 ASN CA C 13 51.733 0.034 . . . . . A 47 ASN CA . 19800 1
348 . 1 1 29 29 ASN CB C 13 41.163 0 . . . . . A 47 ASN CB . 19800 1
349 . 1 1 29 29 ASN N N 15 117.293 0.008 . . . . . A 47 ASN N . 19800 1
350 . 1 1 30 30 LYS H H 1 8.607 0.003 . . . . . A 48 LYS H . 19800 1
351 . 1 1 30 30 LYS HA H 1 5.302 0.003 . . . . . A 48 LYS HA . 19800 1
352 . 1 1 30 30 LYS HB2 H 1 1.572 0.003 . . . . . A 48 LYS HB2 . 19800 1
353 . 1 1 30 30 LYS HB3 H 1 1.784 0.003 . . . . . A 48 LYS HB3 . 19800 1
354 . 1 1 30 30 LYS HG2 H 1 1.332 0 . . . . . A 48 LYS HG2 . 19800 1
355 . 1 1 30 30 LYS HG3 H 1 1.332 0 . . . . . A 48 LYS QG . 19800 1
356 . 1 1 30 30 LYS HD2 H 1 1.349 0.025 . . . . . A 48 LYS HD2 . 19800 1
357 . 1 1 30 30 LYS HD3 H 1 1.301 0.007 . . . . . A 48 LYS HD3 . 19800 1
358 . 1 1 30 30 LYS HE2 H 1 2.722 0.004 . . . . . A 48 LYS HE2 . 19800 1
359 . 1 1 30 30 LYS HE3 H 1 2.796 0.006 . . . . . A 48 LYS HE3 . 19800 1
360 . 1 1 30 30 LYS C C 13 175.186 0 . . . . . A 48 LYS C . 19800 1
361 . 1 1 30 30 LYS CA C 13 54.377 0.006 . . . . . A 48 LYS CA . 19800 1
362 . 1 1 30 30 LYS CB C 13 34.817 0.039 . . . . . A 48 LYS CB . 19800 1
363 . 1 1 30 30 LYS CG C 13 24.702 0.082 . . . . . A 48 LYS CG . 19800 1
364 . 1 1 30 30 LYS CD C 13 29.546 0.07 . . . . . A 48 LYS CD . 19800 1
365 . 1 1 30 30 LYS CE C 13 41.376 0 . . . . . A 48 LYS CE . 19800 1
366 . 1 1 30 30 LYS N N 15 121.209 0.023 . . . . . A 48 LYS N . 19800 1
367 . 1 1 31 31 ILE H H 1 9.231 0.003 . . . . . A 49 ILE H . 19800 1
368 . 1 1 31 31 ILE HA H 1 4.335 0.001 . . . . . A 49 ILE HA . 19800 1
369 . 1 1 31 31 ILE HB H 1 1.871 0.002 . . . . . A 49 ILE HB . 19800 1
370 . 1 1 31 31 ILE HG12 H 1 1.311 0.001 . . . . . A 49 ILE HG12 . 19800 1
371 . 1 1 31 31 ILE HG13 H 1 1.11 0.005 . . . . . A 49 ILE HG13 . 19800 1
372 . 1 1 31 31 ILE HG21 H 1 0.747 0.003 . . . . . A 49 ILE HG21 . 19800 1
373 . 1 1 31 31 ILE HG22 H 1 0.747 0.003 . . . . . A 49 ILE HG22 . 19800 1
374 . 1 1 31 31 ILE HG23 H 1 0.747 0.003 . . . . . A 49 ILE HG23 . 19800 1
375 . 1 1 31 31 ILE HD11 H 1 0.737 0.001 . . . . . A 49 ILE HD11 . 19800 1
376 . 1 1 31 31 ILE HD12 H 1 0.737 0.001 . . . . . A 49 ILE HD12 . 19800 1
377 . 1 1 31 31 ILE HD13 H 1 0.737 0.001 . . . . . A 49 ILE HD13 . 19800 1
378 . 1 1 31 31 ILE C C 13 175.247 0 . . . . . A 49 ILE C . 19800 1
379 . 1 1 31 31 ILE CA C 13 59.683 0.023 . . . . . A 49 ILE CA . 19800 1
380 . 1 1 31 31 ILE CB C 13 39.941 0.014 . . . . . A 49 ILE CB . 19800 1
381 . 1 1 31 31 ILE CG1 C 13 27.175 0.023 . . . . . A 49 ILE CG1 . 19800 1
382 . 1 1 31 31 ILE CG2 C 13 17.077 0.088 . . . . . A 49 ILE CG2 . 19800 1
383 . 1 1 31 31 ILE CD1 C 13 12.604 0.085 . . . . . A 49 ILE CD1 . 19800 1
384 . 1 1 31 31 ILE N N 15 127.508 0.015 . . . . . A 49 ILE N . 19800 1
385 . 1 1 32 32 ASP H H 1 8.821 0.004 . . . . . A 50 ASP H . 19800 1
386 . 1 1 32 32 ASP HA H 1 3.854 0.002 . . . . . A 50 ASP HA . 19800 1
387 . 1 1 32 32 ASP HB2 H 1 2.44 0.002 . . . . . A 50 ASP HB2 . 19800 1
388 . 1 1 32 32 ASP HB3 H 1 2.791 0.002 . . . . . A 50 ASP HB3 . 19800 1
389 . 1 1 32 32 ASP C C 13 177.327 0 . . . . . A 50 ASP C . 19800 1
390 . 1 1 32 32 ASP CA C 13 53.639 0.046 . . . . . A 50 ASP CA . 19800 1
391 . 1 1 32 32 ASP CB C 13 40.857 0.026 . . . . . A 50 ASP CB . 19800 1
392 . 1 1 32 32 ASP N N 15 127.775 0.004 . . . . . A 50 ASP N . 19800 1
393 . 1 1 33 33 SER H H 1 8.035 0.003 . . . . . A 51 SER H . 19800 1
394 . 1 1 33 33 SER HA H 1 4.66 0.004 . . . . . A 51 SER HA . 19800 1
395 . 1 1 33 33 SER HB2 H 1 3.728 0.002 . . . . . A 51 SER HB2 . 19800 1
396 . 1 1 33 33 SER HB3 H 1 4.032 0.002 . . . . . A 51 SER HB3 . 19800 1
397 . 1 1 33 33 SER C C 13 177.258 0 . . . . . A 51 SER C . 19800 1
398 . 1 1 33 33 SER CA C 13 57.111 0.07 . . . . . A 51 SER CA . 19800 1
399 . 1 1 33 33 SER CB C 13 63.271 0.023 . . . . . A 51 SER CB . 19800 1
400 . 1 1 33 33 SER N N 15 123.948 0.005 . . . . . A 51 SER N . 19800 1
401 . 1 1 34 34 GLY H H 1 8.643 0.002 . . . . . A 52 GLY H . 19800 1
402 . 1 1 34 34 GLY HA2 H 1 3.945 0.003 . . . . . A 52 GLY HA2 . 19800 1
403 . 1 1 34 34 GLY HA3 H 1 3.632 0.002 . . . . . A 52 GLY HA3 . 19800 1
404 . 1 1 34 34 GLY C C 13 178.261 0 . . . . . A 52 GLY C . 19800 1
405 . 1 1 34 34 GLY CA C 13 46.45 0.02 . . . . . A 52 GLY CA . 19800 1
406 . 1 1 34 34 GLY N N 15 112.626 0.015 . . . . . A 52 GLY N . 19800 1
407 . 1 1 35 35 LYS HA H 1 4.119 0.002 . . . . . A 53 LYS HA . 19800 1
408 . 1 1 35 35 LYS HB2 H 1 1.851 0.003 . . . . . A 53 LYS HB2 . 19800 1
409 . 1 1 35 35 LYS HB3 H 1 1.851 0.003 . . . . . A 53 LYS QB . 19800 1
410 . 1 1 35 35 LYS HG2 H 1 1.477 0.005 . . . . . A 53 LYS HG2 . 19800 1
411 . 1 1 35 35 LYS HG3 H 1 1.477 0.005 . . . . . A 53 LYS QG . 19800 1
412 . 1 1 35 35 LYS HD2 H 1 1.687 0.003 . . . . . A 53 LYS HD2 . 19800 1
413 . 1 1 35 35 LYS HD3 H 1 1.687 0.003 . . . . . A 53 LYS QD . 19800 1
414 . 1 1 35 35 LYS HE2 H 1 2.986 0.001 . . . . . A 53 LYS HE2 . 19800 1
415 . 1 1 35 35 LYS HE3 H 1 2.986 0.001 . . . . . A 53 LYS QE . 19800 1
416 . 1 1 35 35 LYS C C 13 178.526 0 . . . . . A 53 LYS C . 19800 1
417 . 1 1 35 35 LYS CA C 13 58.349 0.018 . . . . . A 53 LYS CA . 19800 1
418 . 1 1 35 35 LYS CB C 13 32.038 0.052 . . . . . A 53 LYS CB . 19800 1
419 . 1 1 35 35 LYS CG C 13 24.747 0.037 . . . . . A 53 LYS CG . 19800 1
420 . 1 1 35 35 LYS CD C 13 28.946 0.076 . . . . . A 53 LYS CD . 19800 1
421 . 1 1 35 35 LYS CE C 13 42.001 0.019 . . . . . A 53 LYS CE . 19800 1
422 . 1 1 36 36 LEU H H 1 7.453 0.003 . . . . . A 54 LEU H . 19800 1
423 . 1 1 36 36 LEU HA H 1 4.309 0.014 . . . . . A 54 LEU HA . 19800 1
424 . 1 1 36 36 LEU HB2 H 1 1.67 0.012 . . . . . A 54 LEU HB2 . 19800 1
425 . 1 1 36 36 LEU HB3 H 1 1.67 0.012 . . . . . A 54 LEU QB . 19800 1
426 . 1 1 36 36 LEU HG H 1 1.612 0.006 . . . . . A 54 LEU HG . 19800 1
427 . 1 1 36 36 LEU HD11 H 1 0.919 0.003 . . . . . A 54 LEU HD11 . 19800 1
428 . 1 1 36 36 LEU HD12 H 1 0.919 0.003 . . . . . A 54 LEU HD12 . 19800 1
429 . 1 1 36 36 LEU HD13 H 1 0.919 0.003 . . . . . A 54 LEU HD13 . 19800 1
430 . 1 1 36 36 LEU HD21 H 1 0.836 0.006 . . . . . A 54 LEU HD21 . 19800 1
431 . 1 1 36 36 LEU HD22 H 1 0.836 0.006 . . . . . A 54 LEU HD22 . 19800 1
432 . 1 1 36 36 LEU HD23 H 1 0.836 0.006 . . . . . A 54 LEU HD23 . 19800 1
433 . 1 1 36 36 LEU C C 13 178.832 0 . . . . . A 54 LEU C . 19800 1
434 . 1 1 36 36 LEU CA C 13 54.958 0.085 . . . . . A 54 LEU CA . 19800 1
435 . 1 1 36 36 LEU CB C 13 41.155 0.019 . . . . . A 54 LEU CB . 19800 1
436 . 1 1 36 36 LEU CG C 13 27.183 0.04 . . . . . A 54 LEU CG . 19800 1
437 . 1 1 36 36 LEU CD1 C 13 24.926 0.043 . . . . . A 54 LEU CD1 . 19800 1
438 . 1 1 36 36 LEU CD2 C 13 22.477 0.132 . . . . . A 54 LEU CD2 . 19800 1
439 . 1 1 36 36 LEU N N 15 117.133 0.01 . . . . . A 54 LEU N . 19800 1
440 . 1 1 37 37 GLY H H 1 7.727 0.002 . . . . . A 55 GLY H . 19800 1
441 . 1 1 37 37 GLY HA2 H 1 3.759 0.002 . . . . . A 55 GLY HA2 . 19800 1
442 . 1 1 37 37 GLY HA3 H 1 4.016 0.003 . . . . . A 55 GLY HA3 . 19800 1
443 . 1 1 37 37 GLY C C 13 172.511 0 . . . . . A 55 GLY C . 19800 1
444 . 1 1 37 37 GLY CA C 13 44.519 0.027 . . . . . A 55 GLY CA . 19800 1
445 . 1 1 37 37 GLY N N 15 106.946 0.019 . . . . . A 55 GLY N . 19800 1
446 . 1 1 38 38 TYR H H 1 9.77 0.004 . . . . . A 56 TYR H . 19800 1
447 . 1 1 38 38 TYR HA H 1 5.267 0.003 . . . . . A 56 TYR HA . 19800 1
448 . 1 1 38 38 TYR HB2 H 1 2.452 0.002 . . . . . A 56 TYR HB2 . 19800 1
449 . 1 1 38 38 TYR HB3 H 1 2.611 0.002 . . . . . A 56 TYR HB3 . 19800 1
450 . 1 1 38 38 TYR HD1 H 1 6.922 0.004 . . . . . A 56 TYR HD1 . 19800 1
451 . 1 1 38 38 TYR HD2 H 1 6.922 0.004 . . . . . A 56 TYR HD2 . 19800 1
452 . 1 1 38 38 TYR HE1 H 1 6.764 0.009 . . . . . A 56 TYR HE1 . 19800 1
453 . 1 1 38 38 TYR HE2 H 1 6.764 0.009 . . . . . A 56 TYR HE2 . 19800 1
454 . 1 1 38 38 TYR C C 13 177.412 0 . . . . . A 56 TYR C . 19800 1
455 . 1 1 38 38 TYR CA C 13 57.986 0.073 . . . . . A 56 TYR CA . 19800 1
456 . 1 1 38 38 TYR CB C 13 40.838 0.011 . . . . . A 56 TYR CB . 19800 1
457 . 1 1 38 38 TYR CD1 C 13 132.549 0.039 . . . . . A 56 TYR CD1 . 19800 1
458 . 1 1 38 38 TYR CE1 C 13 117.815 0.105 . . . . . A 56 TYR CE1 . 19800 1
459 . 1 1 38 38 TYR N N 15 119.5 0.006 . . . . . A 56 TYR N . 19800 1
460 . 1 1 39 39 SER H H 1 9.13 0.003 . . . . . A 57 SER H . 19800 1
461 . 1 1 39 39 SER HA H 1 5.386 0.002 . . . . . A 57 SER HA . 19800 1
462 . 1 1 39 39 SER HB2 H 1 3.833 0.004 . . . . . A 57 SER HB2 . 19800 1
463 . 1 1 39 39 SER HB3 H 1 3.905 0.006 . . . . . A 57 SER HB3 . 19800 1
464 . 1 1 39 39 SER C C 13 171.818 0 . . . . . A 57 SER C . 19800 1
465 . 1 1 39 39 SER CA C 13 55.817 0.037 . . . . . A 57 SER CA . 19800 1
466 . 1 1 39 39 SER CB C 13 65.566 0.02 . . . . . A 57 SER CB . 19800 1
467 . 1 1 39 39 SER N N 15 114.46 0.005 . . . . . A 57 SER N . 19800 1
468 . 1 1 40 40 ILE H H 1 8.604 0.004 . . . . . A 58 ILE H . 19800 1
469 . 1 1 40 40 ILE HA H 1 5.538 0.002 . . . . . A 58 ILE HA . 19800 1
470 . 1 1 40 40 ILE HB H 1 1.837 0.003 . . . . . A 58 ILE HB . 19800 1
471 . 1 1 40 40 ILE HG12 H 1 1.242 0.011 . . . . . A 58 ILE HG12 . 19800 1
472 . 1 1 40 40 ILE HG13 H 1 1.453 0.006 . . . . . A 58 ILE HG13 . 19800 1
473 . 1 1 40 40 ILE HG21 H 1 0.808 0.002 . . . . . A 58 ILE HG21 . 19800 1
474 . 1 1 40 40 ILE HG22 H 1 0.808 0.002 . . . . . A 58 ILE HG22 . 19800 1
475 . 1 1 40 40 ILE HG23 H 1 0.808 0.002 . . . . . A 58 ILE HG23 . 19800 1
476 . 1 1 40 40 ILE HD11 H 1 0.808 0.001 . . . . . A 58 ILE HD11 . 19800 1
477 . 1 1 40 40 ILE HD12 H 1 0.808 0.001 . . . . . A 58 ILE HD12 . 19800 1
478 . 1 1 40 40 ILE HD13 H 1 0.808 0.001 . . . . . A 58 ILE HD13 . 19800 1
479 . 1 1 40 40 ILE C C 13 176.822 0 . . . . . A 58 ILE C . 19800 1
480 . 1 1 40 40 ILE CA C 13 57.04 0.043 . . . . . A 58 ILE CA . 19800 1
481 . 1 1 40 40 ILE CB C 13 39.157 0.134 . . . . . A 58 ILE CB . 19800 1
482 . 1 1 40 40 ILE CG1 C 13 27.019 0.142 . . . . . A 58 ILE CG1 . 19800 1
483 . 1 1 40 40 ILE CG2 C 13 17.784 0.068 . . . . . A 58 ILE CG2 . 19800 1
484 . 1 1 40 40 ILE CD1 C 13 10.554 0.096 . . . . . A 58 ILE CD1 . 19800 1
485 . 1 1 40 40 ILE N N 15 121.24 0.032 . . . . . A 58 ILE N . 19800 1
486 . 1 1 41 41 THR H H 1 8.969 0.003 . . . . . A 59 THR H . 19800 1
487 . 1 1 41 41 THR HA H 1 5.435 0.002 . . . . . A 59 THR HA . 19800 1
488 . 1 1 41 41 THR HB H 1 4.039 0.001 . . . . . A 59 THR HB . 19800 1
489 . 1 1 41 41 THR HG21 H 1 1.109 0.003 . . . . . A 59 THR HG21 . 19800 1
490 . 1 1 41 41 THR HG22 H 1 1.109 0.003 . . . . . A 59 THR HG22 . 19800 1
491 . 1 1 41 41 THR HG23 H 1 1.109 0.003 . . . . . A 59 THR HG23 . 19800 1
492 . 1 1 41 41 THR C C 13 172.703 0 . . . . . A 59 THR C . 19800 1
493 . 1 1 41 41 THR CA C 13 58.889 0.136 . . . . . A 59 THR CA . 19800 1
494 . 1 1 41 41 THR CB C 13 71.574 0.018 . . . . . A 59 THR CB . 19800 1
495 . 1 1 41 41 THR CG2 C 13 21.524 0.064 . . . . . A 59 THR CG2 . 19800 1
496 . 1 1 41 41 THR N N 15 118.505 0.009 . . . . . A 59 THR N . 19800 1
497 . 1 1 42 42 VAL H H 1 8.602 0.003 . . . . . A 60 VAL H . 19800 1
498 . 1 1 42 42 VAL HA H 1 4.787 0.001 . . . . . A 60 VAL HA . 19800 1
499 . 1 1 42 42 VAL HB H 1 2.402 0.007 . . . . . A 60 VAL HB . 19800 1
500 . 1 1 42 42 VAL HG11 H 1 0.935 0.003 . . . . . A 60 VAL HG11 . 19800 1
501 . 1 1 42 42 VAL HG12 H 1 0.935 0.003 . . . . . A 60 VAL HG12 . 19800 1
502 . 1 1 42 42 VAL HG13 H 1 0.935 0.003 . . . . . A 60 VAL HG13 . 19800 1
503 . 1 1 42 42 VAL HG21 H 1 0.871 0.005 . . . . . A 60 VAL HG21 . 19800 1
504 . 1 1 42 42 VAL HG22 H 1 0.871 0.005 . . . . . A 60 VAL HG22 . 19800 1
505 . 1 1 42 42 VAL HG23 H 1 0.871 0.005 . . . . . A 60 VAL HG23 . 19800 1
506 . 1 1 42 42 VAL C C 13 173.802 0 . . . . . A 60 VAL C . 19800 1
507 . 1 1 42 42 VAL CA C 13 58.594 0.066 . . . . . A 60 VAL CA . 19800 1
508 . 1 1 42 42 VAL CB C 13 36.56 0.091 . . . . . A 60 VAL CB . 19800 1
509 . 1 1 42 42 VAL CG1 C 13 22.942 0.068 . . . . . A 60 VAL CG1 . 19800 1
510 . 1 1 42 42 VAL CG2 C 13 18.868 0.093 . . . . . A 60 VAL CG2 . 19800 1
511 . 1 1 42 42 VAL N N 15 111.299 0.007 . . . . . A 60 VAL N . 19800 1
512 . 1 1 43 43 ALA H H 1 9.41 0.004 . . . . . A 61 ALA H . 19800 1
513 . 1 1 43 43 ALA HA H 1 4.678 0.003 . . . . . A 61 ALA HA . 19800 1
514 . 1 1 43 43 ALA HB1 H 1 1.482 0.004 . . . . . A 61 ALA HB1 . 19800 1
515 . 1 1 43 43 ALA HB2 H 1 1.482 0.004 . . . . . A 61 ALA HB2 . 19800 1
516 . 1 1 43 43 ALA HB3 H 1 1.482 0.004 . . . . . A 61 ALA HB3 . 19800 1
517 . 1 1 43 43 ALA C C 13 182.244 0 . . . . . A 61 ALA C . 19800 1
518 . 1 1 43 43 ALA CA C 13 52.304 0.004 . . . . . A 61 ALA CA . 19800 1
519 . 1 1 43 43 ALA CB C 13 19.742 0.112 . . . . . A 61 ALA CB . 19800 1
520 . 1 1 43 43 ALA N N 15 125.688 0.008 . . . . . A 61 ALA N . 19800 1
521 . 1 1 44 44 GLU H H 1 9.047 0.004 . . . . . A 62 GLU H . 19800 1
522 . 1 1 44 44 GLU HA H 1 3.97 0.001 . . . . . A 62 GLU HA . 19800 1
523 . 1 1 44 44 GLU HB2 H 1 2.134 0.009 . . . . . A 62 GLU HB2 . 19800 1
524 . 1 1 44 44 GLU HB3 H 1 2.134 0.009 . . . . . A 62 GLU QB . 19800 1
525 . 1 1 44 44 GLU HG2 H 1 2.213 0.002 . . . . . A 62 GLU HG2 . 19800 1
526 . 1 1 44 44 GLU HG3 H 1 2.284 0 . . . . . A 62 GLU HG3 . 19800 1
527 . 1 1 44 44 GLU C C 13 175.922 0 . . . . . A 62 GLU C . 19800 1
528 . 1 1 44 44 GLU CA C 13 62.328 0.03 . . . . . A 62 GLU CA . 19800 1
529 . 1 1 44 44 GLU CB C 13 27.421 0.035 . . . . . A 62 GLU CB . 19800 1
530 . 1 1 44 44 GLU N N 15 122.612 0.013 . . . . . A 62 GLU N . 19800 1
531 . 1 1 45 45 PRO HA H 1 4.486 0.002 . . . . . A 63 PRO HA . 19800 1
532 . 1 1 45 45 PRO HB2 H 1 1.844 0.006 . . . . . A 63 PRO HB2 . 19800 1
533 . 1 1 45 45 PRO HB3 H 1 2.396 0.001 . . . . . A 63 PRO HB3 . 19800 1
534 . 1 1 45 45 PRO HG2 H 1 1.947 0.001 . . . . . A 63 PRO HG2 . 19800 1
535 . 1 1 45 45 PRO HG3 H 1 1.947 0.001 . . . . . A 63 PRO QG . 19800 1
536 . 1 1 45 45 PRO HD2 H 1 3.83 0.002 . . . . . A 63 PRO HD2 . 19800 1
537 . 1 1 45 45 PRO HD3 H 1 3.61 0.002 . . . . . A 63 PRO HD3 . 19800 1
538 . 1 1 45 45 PRO C C 13 178.721 0 . . . . . A 63 PRO C . 19800 1
539 . 1 1 45 45 PRO CA C 13 65.517 0.004 . . . . . A 63 PRO CA . 19800 1
540 . 1 1 45 45 PRO CB C 13 31.124 0.043 . . . . . A 63 PRO CB . 19800 1
541 . 1 1 45 45 PRO CG C 13 27.985 0.082 . . . . . A 63 PRO CG . 19800 1
542 . 1 1 45 45 PRO CD C 13 50.389 0.02 . . . . . A 63 PRO CD . 19800 1
543 . 1 1 46 46 ASP H H 1 7.812 0.002 . . . . . A 64 ASP H . 19800 1
544 . 1 1 46 46 ASP HA H 1 4.994 0.002 . . . . . A 64 ASP HA . 19800 1
545 . 1 1 46 46 ASP HB2 H 1 3.001 0.002 . . . . . A 64 ASP HB2 . 19800 1
546 . 1 1 46 46 ASP HB3 H 1 2.807 0.002 . . . . . A 64 ASP HB3 . 19800 1
547 . 1 1 46 46 ASP C C 13 176.565 0 . . . . . A 64 ASP C . 19800 1
548 . 1 1 46 46 ASP CA C 13 54.701 0.013 . . . . . A 64 ASP CA . 19800 1
549 . 1 1 46 46 ASP CB C 13 43.082 0.008 . . . . . A 64 ASP CB . 19800 1
550 . 1 1 46 46 ASP N N 15 115.002 0.005 . . . . . A 64 ASP N . 19800 1
551 . 1 1 47 47 PHE H H 1 7.902 0.003 . . . . . A 65 PHE H . 19800 1
552 . 1 1 47 47 PHE HA H 1 3.926 0.003 . . . . . A 65 PHE HA . 19800 1
553 . 1 1 47 47 PHE HB2 H 1 3.002 0.001 . . . . . A 65 PHE HB2 . 19800 1
554 . 1 1 47 47 PHE HB3 H 1 3.285 0.002 . . . . . A 65 PHE HB3 . 19800 1
555 . 1 1 47 47 PHE HD1 H 1 6.982 0.004 . . . . . A 65 PHE HD1 . 19800 1
556 . 1 1 47 47 PHE HD2 H 1 6.982 0.004 . . . . . A 65 PHE HD2 . 19800 1
557 . 1 1 47 47 PHE HE1 H 1 7.347 0.004 . . . . . A 65 PHE HE1 . 19800 1
558 . 1 1 47 47 PHE HE2 H 1 7.347 0.004 . . . . . A 65 PHE HE2 . 19800 1
559 . 1 1 47 47 PHE C C 13 175.918 0 . . . . . A 65 PHE C . 19800 1
560 . 1 1 47 47 PHE CA C 13 63.611 0.029 . . . . . A 65 PHE CA . 19800 1
561 . 1 1 47 47 PHE CB C 13 40.354 0.044 . . . . . A 65 PHE CB . 19800 1
562 . 1 1 47 47 PHE CD1 C 13 131.561 0.027 . . . . . A 65 PHE CD1 . 19800 1
563 . 1 1 47 47 PHE CE1 C 13 132.029 0 . . . . . A 65 PHE CE1 . 19800 1
564 . 1 1 47 47 PHE N N 15 122.01 0.022 . . . . . A 65 PHE N . 19800 1
565 . 1 1 48 48 THR H H 1 8.648 0.003 . . . . . A 66 THR H . 19800 1
566 . 1 1 48 48 THR HA H 1 3.66 0.002 . . . . . A 66 THR HA . 19800 1
567 . 1 1 48 48 THR HB H 1 4.167 0.002 . . . . . A 66 THR HB . 19800 1
568 . 1 1 48 48 THR HG21 H 1 1.27 0.002 . . . . . A 66 THR HG21 . 19800 1
569 . 1 1 48 48 THR HG22 H 1 1.27 0.002 . . . . . A 66 THR HG22 . 19800 1
570 . 1 1 48 48 THR HG23 H 1 1.27 0.002 . . . . . A 66 THR HG23 . 19800 1
571 . 1 1 48 48 THR C C 13 178.106 0 . . . . . A 66 THR C . 19800 1
572 . 1 1 48 48 THR CA C 13 66.742 0.031 . . . . . A 66 THR CA . 19800 1
573 . 1 1 48 48 THR CB C 13 68.412 0.189 . . . . . A 66 THR CB . 19800 1
574 . 1 1 48 48 THR CG2 C 13 22.183 0.111 . . . . . A 66 THR CG2 . 19800 1
575 . 1 1 48 48 THR N N 15 112.195 0.023 . . . . . A 66 THR N . 19800 1
576 . 1 1 49 49 ALA H H 1 8.198 0.002 . . . . . A 67 ALA H . 19800 1
577 . 1 1 49 49 ALA HA H 1 4.044 0.002 . . . . . A 67 ALA HA . 19800 1
578 . 1 1 49 49 ALA HB1 H 1 1.528 0.001 . . . . . A 67 ALA HB1 . 19800 1
579 . 1 1 49 49 ALA HB2 H 1 1.528 0.001 . . . . . A 67 ALA HB2 . 19800 1
580 . 1 1 49 49 ALA HB3 H 1 1.528 0.001 . . . . . A 67 ALA HB3 . 19800 1
581 . 1 1 49 49 ALA C C 13 180.268 0 . . . . . A 67 ALA C . 19800 1
582 . 1 1 49 49 ALA CA C 13 54.618 0.009 . . . . . A 67 ALA CA . 19800 1
583 . 1 1 49 49 ALA CB C 13 18.408 0.076 . . . . . A 67 ALA CB . 19800 1
584 . 1 1 49 49 ALA N N 15 124.955 0.019 . . . . . A 67 ALA N . 19800 1
585 . 1 1 50 50 ALA H H 1 8.469 0.003 . . . . . A 68 ALA H . 19800 1
586 . 1 1 50 50 ALA HA H 1 3.966 0.003 . . . . . A 68 ALA HA . 19800 1
587 . 1 1 50 50 ALA HB1 H 1 1.473 0.002 . . . . . A 68 ALA HB1 . 19800 1
588 . 1 1 50 50 ALA HB2 H 1 1.473 0.002 . . . . . A 68 ALA HB2 . 19800 1
589 . 1 1 50 50 ALA HB3 H 1 1.473 0.002 . . . . . A 68 ALA HB3 . 19800 1
590 . 1 1 50 50 ALA C C 13 181.033 0 . . . . . A 68 ALA C . 19800 1
591 . 1 1 50 50 ALA CA C 13 55.623 0 . . . . . A 68 ALA CA . 19800 1
592 . 1 1 50 50 ALA CB C 13 19.802 0.063 . . . . . A 68 ALA CB . 19800 1
593 . 1 1 50 50 ALA N N 15 119.593 0.025 . . . . . A 68 ALA N . 19800 1
594 . 1 1 51 51 VAL H H 1 8.034 0.002 . . . . . A 69 VAL H . 19800 1
595 . 1 1 51 51 VAL HA H 1 3.257 0.002 . . . . . A 69 VAL HA . 19800 1
596 . 1 1 51 51 VAL HB H 1 1.744 0.004 . . . . . A 69 VAL HB . 19800 1
597 . 1 1 51 51 VAL HG11 H 1 0.698 0.002 . . . . . A 69 VAL HG11 . 19800 1
598 . 1 1 51 51 VAL HG12 H 1 0.698 0.002 . . . . . A 69 VAL HG12 . 19800 1
599 . 1 1 51 51 VAL HG13 H 1 0.698 0.002 . . . . . A 69 VAL HG13 . 19800 1
600 . 1 1 51 51 VAL HG21 H 1 0.413 0.003 . . . . . A 69 VAL HG21 . 19800 1
601 . 1 1 51 51 VAL HG22 H 1 0.413 0.003 . . . . . A 69 VAL HG22 . 19800 1
602 . 1 1 51 51 VAL HG23 H 1 0.413 0.003 . . . . . A 69 VAL HG23 . 19800 1
603 . 1 1 51 51 VAL C C 13 179 0 . . . . . A 69 VAL C . 19800 1
604 . 1 1 51 51 VAL CA C 13 66.077 0.034 . . . . . A 69 VAL CA . 19800 1
605 . 1 1 51 51 VAL CB C 13 31.684 0.102 . . . . . A 69 VAL CB . 19800 1
606 . 1 1 51 51 VAL CG1 C 13 21.184 0.12 . . . . . A 69 VAL CG1 . 19800 1
607 . 1 1 51 51 VAL CG2 C 13 22.941 0.127 . . . . . A 69 VAL CG2 . 19800 1
608 . 1 1 51 51 VAL N N 15 115.582 0.011 . . . . . A 69 VAL N . 19800 1
609 . 1 1 52 52 TYR H H 1 7.179 0.005 . . . . . A 70 TYR H . 19800 1
610 . 1 1 52 52 TYR HA H 1 3.805 0.002 . . . . . A 70 TYR HA . 19800 1
611 . 1 1 52 52 TYR HB2 H 1 2.708 0.006 . . . . . A 70 TYR HB2 . 19800 1
612 . 1 1 52 52 TYR HB3 H 1 2.708 0.006 . . . . . A 70 TYR QB . 19800 1
613 . 1 1 52 52 TYR HD1 H 1 5.898 0.003 . . . . . A 70 TYR HD1 . 19800 1
614 . 1 1 52 52 TYR HD2 H 1 5.898 0.003 . . . . . A 70 TYR HD2 . 19800 1
615 . 1 1 52 52 TYR HE1 H 1 6.001 0.003 . . . . . A 70 TYR HE1 . 19800 1
616 . 1 1 52 52 TYR HE2 H 1 6.001 0.003 . . . . . A 70 TYR HE2 . 19800 1
617 . 1 1 52 52 TYR C C 13 180.084 0 . . . . . A 70 TYR C . 19800 1
618 . 1 1 52 52 TYR CA C 13 61.459 0.032 . . . . . A 70 TYR CA . 19800 1
619 . 1 1 52 52 TYR CB C 13 37.712 0.059 . . . . . A 70 TYR CB . 19800 1
620 . 1 1 52 52 TYR CD1 C 13 132.675 0.025 . . . . . A 70 TYR CD1 . 19800 1
621 . 1 1 52 52 TYR CE1 C 13 117.778 0.05 . . . . . A 70 TYR CE1 . 19800 1
622 . 1 1 52 52 TYR N N 15 118.722 0.01 . . . . . A 70 TYR N . 19800 1
623 . 1 1 53 53 TRP H H 1 7.924 0.002 . . . . . A 71 TRP H . 19800 1
624 . 1 1 53 53 TRP HA H 1 4.482 0.015 . . . . . A 71 TRP HA . 19800 1
625 . 1 1 53 53 TRP HB2 H 1 2.929 0.03 . . . . . A 71 TRP HB2 . 19800 1
626 . 1 1 53 53 TRP HB3 H 1 3.079 0.043 . . . . . A 71 TRP HB3 . 19800 1
627 . 1 1 53 53 TRP HD1 H 1 6.925 0.003 . . . . . A 71 TRP HD1 . 19800 1
628 . 1 1 53 53 TRP HE1 H 1 10.291 0 . . . . . A 71 TRP HE1 . 19800 1
629 . 1 1 53 53 TRP HE3 H 1 7.397 0.006 . . . . . A 71 TRP HE3 . 19800 1
630 . 1 1 53 53 TRP HZ2 H 1 7.41 0.001 . . . . . A 71 TRP HZ2 . 19800 1
631 . 1 1 53 53 TRP HZ3 H 1 7.101 0.002 . . . . . A 71 TRP HZ3 . 19800 1
632 . 1 1 53 53 TRP HH2 H 1 7.267 0.002 . . . . . A 71 TRP HH2 . 19800 1
633 . 1 1 53 53 TRP C C 13 180.643 0 . . . . . A 71 TRP C . 19800 1
634 . 1 1 53 53 TRP CA C 13 58.833 0.028 . . . . . A 71 TRP CA . 19800 1
635 . 1 1 53 53 TRP CB C 13 30.133 0.097 . . . . . A 71 TRP CB . 19800 1
636 . 1 1 53 53 TRP CD1 C 13 127.675 0.052 . . . . . A 71 TRP CD1 . 19800 1
637 . 1 1 53 53 TRP CE3 C 13 120.961 0.042 . . . . . A 71 TRP CE3 . 19800 1
638 . 1 1 53 53 TRP CZ2 C 13 114.61 0.114 . . . . . A 71 TRP CZ2 . 19800 1
639 . 1 1 53 53 TRP CZ3 C 13 122.001 0.06 . . . . . A 71 TRP CZ3 . 19800 1
640 . 1 1 53 53 TRP CH2 C 13 124.639 0.019 . . . . . A 71 TRP CH2 . 19800 1
641 . 1 1 53 53 TRP N N 15 117.18 0.022 . . . . . A 71 TRP N . 19800 1
642 . 1 1 53 53 TRP NE1 N 15 127.809 0 . . . . . A 71 TRP NE1 . 19800 1
643 . 1 1 54 54 ILE H H 1 7.978 0.003 . . . . . A 72 ILE H . 19800 1
644 . 1 1 54 54 ILE HA H 1 4.452 0.002 . . . . . A 72 ILE HA . 19800 1
645 . 1 1 54 54 ILE HB H 1 2.224 0.003 . . . . . A 72 ILE HB . 19800 1
646 . 1 1 54 54 ILE HG12 H 1 1.462 0 . . . . . A 72 ILE HG12 . 19800 1
647 . 1 1 54 54 ILE HG13 H 1 1.512 0.001 . . . . . A 72 ILE HG13 . 19800 1
648 . 1 1 54 54 ILE HG21 H 1 0.924 0.003 . . . . . A 72 ILE HG21 . 19800 1
649 . 1 1 54 54 ILE HG22 H 1 0.924 0.003 . . . . . A 72 ILE HG22 . 19800 1
650 . 1 1 54 54 ILE HG23 H 1 0.924 0.003 . . . . . A 72 ILE HG23 . 19800 1
651 . 1 1 54 54 ILE HD11 H 1 0.79 0.002 . . . . . A 72 ILE HD11 . 19800 1
652 . 1 1 54 54 ILE HD12 H 1 0.79 0.002 . . . . . A 72 ILE HD12 . 19800 1
653 . 1 1 54 54 ILE HD13 H 1 0.79 0.002 . . . . . A 72 ILE HD13 . 19800 1
654 . 1 1 54 54 ILE C C 13 178.49 0 . . . . . A 72 ILE C . 19800 1
655 . 1 1 54 54 ILE CA C 13 61.563 0.011 . . . . . A 72 ILE CA . 19800 1
656 . 1 1 54 54 ILE CB C 13 37.491 0.014 . . . . . A 72 ILE CB . 19800 1
657 . 1 1 54 54 ILE CG1 C 13 27.431 0.042 . . . . . A 72 ILE CG1 . 19800 1
658 . 1 1 54 54 ILE CG2 C 13 18.936 0.045 . . . . . A 72 ILE CG2 . 19800 1
659 . 1 1 54 54 ILE CD1 C 13 13.745 0.028 . . . . . A 72 ILE CD1 . 19800 1
660 . 1 1 54 54 ILE N N 15 113.422 0.048 . . . . . A 72 ILE N . 19800 1
661 . 1 1 55 55 LYS H H 1 7.677 0.006 . . . . . A 73 LYS H . 19800 1
662 . 1 1 55 55 LYS HA H 1 4.177 0.003 . . . . . A 73 LYS HA . 19800 1
663 . 1 1 55 55 LYS HB2 H 1 1.768 0.003 . . . . . A 73 LYS HB2 . 19800 1
664 . 1 1 55 55 LYS HB3 H 1 1.768 0.003 . . . . . A 73 LYS QB . 19800 1
665 . 1 1 55 55 LYS HG2 H 1 1.363 0.001 . . . . . A 73 LYS HG2 . 19800 1
666 . 1 1 55 55 LYS HG3 H 1 1.401 0.005 . . . . . A 73 LYS HG3 . 19800 1
667 . 1 1 55 55 LYS HD2 H 1 1.552 0.002 . . . . . A 73 LYS HD2 . 19800 1
668 . 1 1 55 55 LYS HD3 H 1 1.552 0.002 . . . . . A 73 LYS QD . 19800 1
669 . 1 1 55 55 LYS HE2 H 1 2.834 0.001 . . . . . A 73 LYS HE2 . 19800 1
670 . 1 1 55 55 LYS HE3 H 1 2.834 0.001 . . . . . A 73 LYS QE . 19800 1
671 . 1 1 55 55 LYS C C 13 179.46 0 . . . . . A 73 LYS C . 19800 1
672 . 1 1 55 55 LYS CA C 13 58.31 0.021 . . . . . A 73 LYS CA . 19800 1
673 . 1 1 55 55 LYS CB C 13 32.247 0.036 . . . . . A 73 LYS CB . 19800 1
674 . 1 1 55 55 LYS CG C 13 24.707 0.046 . . . . . A 73 LYS CG . 19800 1
675 . 1 1 55 55 LYS CD C 13 28.962 0.054 . . . . . A 73 LYS CD . 19800 1
676 . 1 1 55 55 LYS CE C 13 42.022 0.018 . . . . . A 73 LYS CE . 19800 1
677 . 1 1 55 55 LYS N N 15 120.911 0.033 . . . . . A 73 LYS N . 19800 1
678 . 1 1 56 56 THR H H 1 7.647 0.003 . . . . . A 74 THR H . 19800 1
679 . 1 1 56 56 THR HA H 1 4.14 0.016 . . . . . A 74 THR HA . 19800 1
680 . 1 1 56 56 THR HB H 1 4.066 0.002 . . . . . A 74 THR HB . 19800 1
681 . 1 1 56 56 THR HG21 H 1 0.978 0.01 . . . . . A 74 THR HG21 . 19800 1
682 . 1 1 56 56 THR HG22 H 1 0.978 0.01 . . . . . A 74 THR HG22 . 19800 1
683 . 1 1 56 56 THR HG23 H 1 0.978 0.01 . . . . . A 74 THR HG23 . 19800 1
684 . 1 1 56 56 THR C C 13 174.574 0 . . . . . A 74 THR C . 19800 1
685 . 1 1 56 56 THR CA C 13 63.019 0.157 . . . . . A 74 THR CA . 19800 1
686 . 1 1 56 56 THR CB C 13 69.394 0.034 . . . . . A 74 THR CB . 19800 1
687 . 1 1 56 56 THR CG2 C 13 21.249 0.051 . . . . . A 74 THR CG2 . 19800 1
688 . 1 1 56 56 THR N N 15 110.017 0.05 . . . . . A 74 THR N . 19800 1
689 . 1 1 57 57 TYR H H 1 7.915 0.008 . . . . . A 75 TYR H . 19800 1
690 . 1 1 57 57 TYR HA H 1 4.468 0 . . . . . A 75 TYR HA . 19800 1
691 . 1 1 57 57 TYR HB2 H 1 3.132 0 . . . . . A 75 TYR HB2 . 19800 1
692 . 1 1 57 57 TYR HB3 H 1 2.969 0 . . . . . A 75 TYR HB3 . 19800 1
693 . 1 1 57 57 TYR HD1 H 1 7.116 0.004 . . . . . A 75 TYR HD1 . 19800 1
694 . 1 1 57 57 TYR HD2 H 1 7.116 0.004 . . . . . A 75 TYR HD2 . 19800 1
695 . 1 1 57 57 TYR HE1 H 1 6.76 0.011 . . . . . A 75 TYR HE1 . 19800 1
696 . 1 1 57 57 TYR HE2 H 1 6.76 0.011 . . . . . A 75 TYR HE2 . 19800 1
697 . 1 1 57 57 TYR C C 13 174.634 0 . . . . . A 75 TYR C . 19800 1
698 . 1 1 57 57 TYR CA C 13 58.964 0 . . . . . A 75 TYR CA . 19800 1
699 . 1 1 57 57 TYR CB C 13 38.945 0.068 . . . . . A 75 TYR CB . 19800 1
700 . 1 1 57 57 TYR CD1 C 13 133.363 0.096 . . . . . A 75 TYR CD1 . 19800 1
701 . 1 1 57 57 TYR CE1 C 13 117.608 0 . . . . . A 75 TYR CE1 . 19800 1
702 . 1 1 57 57 TYR N N 15 122.005 0.012 . . . . . A 75 TYR N . 19800 1
703 . 1 1 58 58 GLN H H 1 7.467 0.008 . . . . . A 76 GLN H . 19800 1
704 . 1 1 58 58 GLN C C 13 183.049 0 . . . . . A 76 GLN C . 19800 1
705 . 1 1 58 58 GLN CA C 13 57.5 0 . . . . . A 76 GLN CA . 19800 1
706 . 1 1 58 58 GLN CB C 13 30.632 0 . . . . . A 76 GLN CB . 19800 1
707 . 1 1 58 58 GLN N N 15 125.769 0.003 . . . . . A 76 GLN N . 19800 1
stop_
save_