Content for NMR-STAR saveframe, "chem_shift_list_1"
save_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6885
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 $sample_1 isotropic 6885 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 GLU H H 1 8.32 0.005 . 1 . . . . 9 GLU H . 6885 1
2 . 1 1 1 1 GLU HA H 1 4.22 0.005 . 1 . . . . 9 GLU HA . 6885 1
3 . 1 1 1 1 GLU HB2 H 1 1.99 0.005 . 2 . . . . 9 GLU HB2 . 6885 1
4 . 1 1 1 1 GLU HB3 H 1 1.86 0.005 . 2 . . . . 9 GLU HB3 . 6885 1
5 . 1 1 1 1 GLU HG2 H 1 2.18 0.005 . 2 . . . . 9 GLU HG2 . 6885 1
6 . 1 1 1 1 GLU N N 15 122.54 0.02 . 1 . . . . 9 GLU N . 6885 1
7 . 1 1 2 2 ALA H H 1 8.33 0.005 . 1 . . . . 10 ALA H . 6885 1
8 . 1 1 2 2 ALA HA H 1 4.28 0.005 . 1 . . . . 10 ALA HA . 6885 1
9 . 1 1 2 2 ALA HB1 H 1 1.34 0.005 . 1 . . . . 10 ALA HB . 6885 1
10 . 1 1 2 2 ALA HB2 H 1 1.34 0.005 . 1 . . . . 10 ALA HB . 6885 1
11 . 1 1 2 2 ALA HB3 H 1 1.34 0.005 . 1 . . . . 10 ALA HB . 6885 1
12 . 1 1 2 2 ALA N N 15 125.6 0.02 . 1 . . . . 10 ALA N . 6885 1
13 . 1 1 3 3 ARG H H 1 8.26 0.005 . 1 . . . . 11 ARG H . 6885 1
14 . 1 1 3 3 ARG HA H 1 4.59 0.005 . 1 . . . . 11 ARG HA . 6885 1
15 . 1 1 3 3 ARG HB2 H 1 1.68 0.005 . 2 . . . . 11 ARG HB2 . 6885 1
16 . 1 1 3 3 ARG HB3 H 1 1.81 0.005 . 2 . . . . 11 ARG HB3 . 6885 1
17 . 1 1 3 3 ARG HG2 H 1 1.63 0.005 . 2 . . . . 11 ARG HG2 . 6885 1
18 . 1 1 3 3 ARG HD2 H 1 3.16 0.005 . 2 . . . . 11 ARG HD2 . 6885 1
19 . 1 1 3 3 ARG N N 15 121.63 0.02 . 1 . . . . 11 ARG N . 6885 1
20 . 1 1 4 4 PRO HA H 1 4.38 0.005 . 1 . . . . 12 PRO HA . 6885 1
21 . 1 1 4 4 PRO HB2 H 1 1.86 0.005 . 2 . . . . 12 PRO HB2 . 6885 1
22 . 1 1 4 4 PRO HG2 H 1 1.99 0.005 . 2 . . . . 12 PRO HG2 . 6885 1
23 . 1 1 4 4 PRO HD2 H 1 3.75 0.005 . 2 . . . . 12 PRO HD2 . 6885 1
24 . 1 1 5 5 ALA H H 1 8.38 0.005 . 1 . . . . 13 ALA H . 6885 1
25 . 1 1 5 5 ALA HA H 1 4.52 0.005 . 1 . . . . 13 ALA HA . 6885 1
26 . 1 1 5 5 ALA HB1 H 1 1.34 0.005 . 1 . . . . 13 ALA HB . 6885 1
27 . 1 1 5 5 ALA HB2 H 1 1.34 0.005 . 1 . . . . 13 ALA HB . 6885 1
28 . 1 1 5 5 ALA HB3 H 1 1.34 0.005 . 1 . . . . 13 ALA HB . 6885 1
29 . 1 1 5 5 ALA N N 15 125.84 0.02 . 1 . . . . 13 ALA N . 6885 1
30 . 1 1 6 6 PRO HA H 1 4.46 0.005 . 1 . . . . 14 PRO HA . 6885 1
31 . 1 1 6 6 PRO HB2 H 1 2.25 0.005 . 2 . . . . 14 PRO HB2 . 6885 1
32 . 1 1 6 6 PRO HG2 H 1 1.99 0.005 . 2 . . . . 14 PRO HG2 . 6885 1
33 . 1 1 6 6 PRO HG3 H 1 1.88 0.005 . 2 . . . . 14 PRO HG3 . 6885 1
34 . 1 1 6 6 PRO HD2 H 1 3.63 0.005 . 2 . . . . 14 PRO HD2 . 6885 1
35 . 1 1 7 7 THR H H 1 8.19 0.005 . 1 . . . . 15 THR H . 6885 1
36 . 1 1 7 7 THR HA H 1 4.27 0.005 . 1 . . . . 15 THR HA . 6885 1
37 . 1 1 7 7 THR HB H 1 4.13 0.005 . 1 . . . . 15 THR HB . 6885 1
38 . 1 1 7 7 THR HG21 H 1 1.18 0.005 . 1 . . . . 15 THR HG2 . 6885 1
39 . 1 1 7 7 THR HG22 H 1 1.18 0.005 . 1 . . . . 15 THR HG2 . 6885 1
40 . 1 1 7 7 THR HG23 H 1 1.18 0.005 . 1 . . . . 15 THR HG2 . 6885 1
41 . 1 1 7 7 THR N N 15 114.89 0.02 . 1 . . . . 15 THR N . 6885 1
42 . 1 1 8 8 LEU H H 1 8.26 0.005 . 1 . . . . 16 LEU H . 6885 1
43 . 1 1 8 8 LEU HA H 1 4.62 0.005 . 1 . . . . 16 LEU HA . 6885 1
44 . 1 1 8 8 LEU HB2 H 1 1.55 0.005 . 2 . . . . 16 LEU HB2 . 6885 1
45 . 1 1 8 8 LEU HD11 H 1 0.88 0.005 . 2 . . . . 16 LEU HD1 . 6885 1
46 . 1 1 8 8 LEU HD12 H 1 0.88 0.005 . 2 . . . . 16 LEU HD1 . 6885 1
47 . 1 1 8 8 LEU HD13 H 1 0.88 0.005 . 2 . . . . 16 LEU HD1 . 6885 1
48 . 1 1 8 8 LEU N N 15 125.93 0.02 . 1 . . . . 16 LEU N . 6885 1
49 . 1 1 9 9 PRO HA H 1 4.36 0.005 . 1 . . . . 17 PRO HA . 6885 1
50 . 1 1 9 9 PRO HB2 H 1 2.26 0.005 . 2 . . . . 17 PRO HB2 . 6885 1
51 . 1 1 9 9 PRO HB3 H 1 1.88 0.005 . 2 . . . . 17 PRO HB3 . 6885 1
52 . 1 1 9 9 PRO HG2 H 1 1.99 0.005 . 2 . . . . 17 PRO HG2 . 6885 1
53 . 1 1 9 9 PRO HG3 H 1 2.02 0.005 . 2 . . . . 17 PRO HG3 . 6885 1
54 . 1 1 9 9 PRO HD2 H 1 3.8 0.005 . 2 . . . . 17 PRO HD2 . 6885 1
55 . 1 1 9 9 PRO HD3 H 1 3.62 0.005 . 2 . . . . 17 PRO HD3 . 6885 1
56 . 1 1 10 10 GLU H H 1 8.53 0.005 . 1 . . . . 18 GLU H . 6885 1
57 . 1 1 10 10 GLU HA H 1 4.16 0.005 . 1 . . . . 18 GLU HA . 6885 1
58 . 1 1 10 10 GLU HB2 H 1 2 0.005 . 2 . . . . 18 GLU HB2 . 6885 1
59 . 1 1 10 10 GLU HB3 H 1 1.94 0.005 . 2 . . . . 18 GLU HB3 . 6885 1
60 . 1 1 10 10 GLU HG2 H 1 2.27 0.005 . 2 . . . . 18 GLU HG2 . 6885 1
61 . 1 1 10 10 GLU HG3 H 1 2.22 0.005 . 2 . . . . 18 GLU HG3 . 6885 1
62 . 1 1 10 10 GLU N N 15 120.41 0.02 . 1 . . . . 18 GLU N . 6885 1
63 . 1 1 11 11 GLN H H 1 8.27 0.005 . 1 . . . . 19 GLN H . 6885 1
64 . 1 1 11 11 GLN HA H 1 4.28 0.005 . 1 . . . . 19 GLN HA . 6885 1
65 . 1 1 11 11 GLN HB2 H 1 2.08 0.005 . 2 . . . . 19 GLN HB2 . 6885 1
66 . 1 1 11 11 GLN HB3 H 1 1.95 0.005 . 2 . . . . 19 GLN HB3 . 6885 1
67 . 1 1 11 11 GLN HG2 H 1 2.32 0.005 . 2 . . . . 19 GLN HG2 . 6885 1
68 . 1 1 11 11 GLN HE21 H 1 7.52 0.005 . 2 . . . . 19 GLN HE21 . 6885 1
69 . 1 1 11 11 GLN HE22 H 1 6.83 0.005 . 2 . . . . 19 GLN HE22 . 6885 1
70 . 1 1 11 11 GLN N N 15 120.6 0.02 . 1 . . . . 19 GLN N . 6885 1
71 . 1 1 11 11 GLN NE2 N 15 112.41 0.02 . 1 . . . . 19 GLN NE2 . 6885 1
72 . 1 1 12 12 ALA H H 1 8.22 0.005 . 1 . . . . 20 ALA H . 6885 1
73 . 1 1 12 12 ALA HA H 1 4.25 0.005 . 1 . . . . 20 ALA HA . 6885 1
74 . 1 1 12 12 ALA HB1 H 1 1.33 0.005 . 1 . . . . 20 ALA HB . 6885 1
75 . 1 1 12 12 ALA HB2 H 1 1.33 0.005 . 1 . . . . 20 ALA HB . 6885 1
76 . 1 1 12 12 ALA HB3 H 1 1.33 0.005 . 1 . . . . 20 ALA HB . 6885 1
77 . 1 1 12 12 ALA N N 15 125.14 0.02 . 1 . . . . 20 ALA N . 6885 1
78 . 1 1 13 13 GLN H H 1 8.21 0.005 . 1 . . . . 21 GLN H . 6885 1
79 . 1 1 13 13 GLN HA H 1 4.5 0.005 . 1 . . . . 21 GLN HA . 6885 1
80 . 1 1 13 13 GLN HB2 H 1 1.83 0.005 . 2 . . . . 21 GLN HB2 . 6885 1
81 . 1 1 13 13 GLN HB3 H 1 1.74 0.005 . 2 . . . . 21 GLN HB3 . 6885 1
82 . 1 1 13 13 GLN HG2 H 1 2.28 0.005 . 2 . . . . 21 GLN HG2 . 6885 1
83 . 1 1 13 13 GLN HE21 H 1 7.44 0.005 . 2 . . . . 21 GLN HE21 . 6885 1
84 . 1 1 13 13 GLN HE22 H 1 6.81 0.005 . 2 . . . . 21 GLN HE22 . 6885 1
85 . 1 1 13 13 GLN N N 15 120 0.02 . 1 . . . . 21 GLN N . 6885 1
86 . 1 1 13 13 GLN NE2 N 15 112.27 0.02 . 1 . . . . 21 GLN NE2 . 6885 1
87 . 1 1 14 14 PRO HA H 1 4.32 0.005 . 1 . . . . 22 PRO HA . 6885 1
88 . 1 1 14 14 PRO HB2 H 1 2.14 0.005 . 2 . . . . 22 PRO HB2 . 6885 1
89 . 1 1 14 14 PRO HB3 H 1 1.75 0.005 . 2 . . . . 22 PRO HB3 . 6885 1
90 . 1 1 14 14 PRO HG2 H 1 1.85 0.005 . 2 . . . . 22 PRO HG2 . 6885 1
91 . 1 1 14 14 PRO HD2 H 1 3.63 0.005 . 2 . . . . 22 PRO HD2 . 6885 1
92 . 1 1 14 14 PRO HD3 H 1 3.48 0.005 . 2 . . . . 22 PRO HD3 . 6885 1
93 . 1 1 15 15 TRP H H 1 7.97 0.005 . 1 . . . . 23 TRP H . 6885 1
94 . 1 1 15 15 TRP HA H 1 4.63 0.005 . 1 . . . . 23 TRP HA . 6885 1
95 . 1 1 15 15 TRP HB2 H 1 3.25 0.005 . 2 . . . . 23 TRP HB2 . 6885 1
96 . 1 1 15 15 TRP HD1 H 1 7.22 0.005 . 1 . . . . 23 TRP HD1 . 6885 1
97 . 1 1 15 15 TRP HE1 H 1 10.17 0.005 . 1 . . . . 23 TRP HE1 . 6885 1
98 . 1 1 15 15 TRP HE3 H 1 7.6 0.005 . 1 . . . . 23 TRP HE3 . 6885 1
99 . 1 1 15 15 TRP HZ2 H 1 7.45 0.005 . 1 . . . . 23 TRP HZ2 . 6885 1
100 . 1 1 15 15 TRP HZ3 H 1 7.08 0.005 . 1 . . . . 23 TRP HZ3 . 6885 1
101 . 1 1 15 15 TRP HH2 H 1 7.16 0.005 . 1 . . . . 23 TRP HH2 . 6885 1
102 . 1 1 15 15 TRP N N 15 120.15 0.02 . 1 . . . . 23 TRP N . 6885 1
103 . 1 1 15 15 TRP NE1 N 15 129.67 0.02 . 1 . . . . 23 TRP NE1 . 6885 1
104 . 1 1 16 16 GLY H H 1 7.92 0.005 . 1 . . . . 24 GLY H . 6885 1
105 . 1 1 16 16 GLY HA2 H 1 3.76 0.005 . 2 . . . . 24 GLY HA2 . 6885 1
106 . 1 1 16 16 GLY N N 15 110.85 0.02 . 1 . . . . 24 GLY N . 6885 1
107 . 1 1 17 17 VAL H H 1 7.75 0.005 . 1 . . . . 25 VAL H . 6885 1
108 . 1 1 17 17 VAL HA H 1 4.26 0.005 . 1 . . . . 25 VAL HA . 6885 1
109 . 1 1 17 17 VAL HB H 1 1.96 0.005 . 1 . . . . 25 VAL HB . 6885 1
110 . 1 1 17 17 VAL HG11 H 1 0.87 0.005 . 2 . . . . 25 VAL HG1 . 6885 1
111 . 1 1 17 17 VAL HG12 H 1 0.87 0.005 . 2 . . . . 25 VAL HG1 . 6885 1
112 . 1 1 17 17 VAL HG13 H 1 0.87 0.005 . 2 . . . . 25 VAL HG1 . 6885 1
113 . 1 1 17 17 VAL HG21 H 1 0.83 0.005 . 2 . . . . 25 VAL HG2 . 6885 1
114 . 1 1 17 17 VAL HG22 H 1 0.83 0.005 . 2 . . . . 25 VAL HG2 . 6885 1
115 . 1 1 17 17 VAL HG23 H 1 0.83 0.005 . 2 . . . . 25 VAL HG2 . 6885 1
116 . 1 1 17 17 VAL N N 15 120.5 0.02 . 1 . . . . 25 VAL N . 6885 1
117 . 1 1 18 18 PRO HA H 1 4.27 0.005 . 1 . . . . 26 PRO HA . 6885 1
118 . 1 1 19 19 VAL H H 1 8.01 0.005 . 1 . . . . 27 VAL H . 6885 1
119 . 1 1 19 19 VAL HA H 1 4.06 0.005 . 1 . . . . 27 VAL HA . 6885 1
120 . 1 1 19 19 VAL HB H 1 1.99 0.005 . 1 . . . . 27 VAL HB . 6885 1
121 . 1 1 19 19 VAL HG11 H 1 0.86 0.005 . 2 . . . . 27 VAL HG1 . 6885 1
122 . 1 1 19 19 VAL HG12 H 1 0.86 0.005 . 2 . . . . 27 VAL HG1 . 6885 1
123 . 1 1 19 19 VAL HG13 H 1 0.86 0.005 . 2 . . . . 27 VAL HG1 . 6885 1
124 . 1 1 19 19 VAL N N 15 119.83 0.02 . 1 . . . . 27 VAL N . 6885 1
125 . 1 1 20 20 GLU H H 1 8.31 0.005 . 1 . . . . 28 GLU H . 6885 1
126 . 1 1 20 20 GLU HA H 1 4.37 0.005 . 1 . . . . 28 GLU HA . 6885 1
127 . 1 1 20 20 GLU HB2 H 1 2.01 0.005 . 2 . . . . 28 GLU HB2 . 6885 1
128 . 1 1 20 20 GLU HB3 H 1 1.94 0.005 . 2 . . . . 28 GLU HB3 . 6885 1
129 . 1 1 20 20 GLU HG2 H 1 2.24 0.005 . 2 . . . . 28 GLU HG2 . 6885 1
130 . 1 1 20 20 GLU HG3 H 1 2.20 0.005 . 2 . . . . 28 GLU HG3 . 6885 1
131 . 1 1 20 20 GLU N N 15 123.35 0.02 . 1 . . . . 28 GLU N . 6885 1
132 . 1 1 21 21 VAL H H 1 8.16 0.005 . 1 . . . . 29 VAL H . 6885 1
133 . 1 1 21 21 VAL HA H 1 4.26 0.005 . 1 . . . . 29 VAL HA . 6885 1
134 . 1 1 21 21 VAL HB H 1 1.84 0.005 . 1 . . . . 29 VAL HB . 6885 1
135 . 1 1 21 21 VAL HG11 H 1 0.71 0.005 . 2 . . . . 29 VAL HG1 . 6885 1
136 . 1 1 21 21 VAL HG12 H 1 0.71 0.005 . 2 . . . . 29 VAL HG1 . 6885 1
137 . 1 1 21 21 VAL HG13 H 1 0.71 0.005 . 2 . . . . 29 VAL HG1 . 6885 1
138 . 1 1 21 21 VAL N N 15 121.88 0.02 . 1 . . . . 29 VAL N . 6885 1
139 . 1 1 22 22 GLU H H 1 8.2 0.005 . 1 . . . . 30 GLU H . 6885 1
140 . 1 1 22 22 GLU HA H 1 4.5 0.005 . 1 . . . . 30 GLU HA . 6885 1
141 . 1 1 22 22 GLU HB2 H 1 2.13 0.005 . 2 . . . . 30 GLU HB2 . 6885 1
142 . 1 1 22 22 GLU HB3 H 1 2.02 0.005 . 2 . . . . 30 GLU HB3 . 6885 1
143 . 1 1 22 22 GLU HG2 H 1 2.28 0.005 . 2 . . . . 30 GLU HG2 . 6885 1
144 . 1 1 22 22 GLU HG3 H 1 2.23 0.005 . 2 . . . . 30 GLU HG3 . 6885 1
145 . 1 1 22 22 GLU N N 15 127.79 0.02 . 1 . . . . 30 GLU N . 6885 1
146 . 1 1 23 23 SER H H 1 8.86 0.005 . 1 . . . . 31 SER H . 6885 1
147 . 1 1 23 23 SER HA H 1 5.31 0.005 . 1 . . . . 31 SER HA . 6885 1
148 . 1 1 23 23 SER HB2 H 1 3.86 0.005 . 2 . . . . 31 SER HB2 . 6885 1
149 . 1 1 23 23 SER HB3 H 1 3.82 0.005 . 2 . . . . 31 SER HB3 . 6885 1
150 . 1 1 23 23 SER N N 15 121.52 0.02 . 1 . . . . 31 SER N . 6885 1
151 . 1 1 24 24 LEU H H 1 9.04 0.005 . 1 . . . . 32 LEU H . 6885 1
152 . 1 1 24 24 LEU HA H 1 4.79 0.005 . 1 . . . . 32 LEU HA . 6885 1
153 . 1 1 24 24 LEU HB2 H 1 1.63 0.005 . 4 . . . . 32 LEU HB2 . 6885 1
154 . 1 1 24 24 LEU HB3 H 1 1.56 0.005 . 4 . . . . 32 LEU HB3 . 6885 1
155 . 1 1 24 24 LEU HD11 H 1 1.52 0.005 . 4 . . . . 32 LEU HD1 . 6885 1
156 . 1 1 24 24 LEU HD12 H 1 1.52 0.005 . 4 . . . . 32 LEU HD1 . 6885 1
157 . 1 1 24 24 LEU HD13 H 1 1.52 0.005 . 4 . . . . 32 LEU HD1 . 6885 1
158 . 1 1 24 24 LEU N N 15 127.67 0.02 . 1 . . . . 32 LEU N . 6885 1
159 . 1 1 25 25 LEU H H 1 8.51 0.005 . 1 . . . . 33 LEU H . 6885 1
160 . 1 1 25 25 LEU HA H 1 5.28 0.005 . 1 . . . . 33 LEU HA . 6885 1
161 . 1 1 25 25 LEU HB2 H 1 1.69 0.005 . 2 . . . . 33 LEU HB2 . 6885 1
162 . 1 1 25 25 LEU HB3 H 1 1.50 0.005 . 2 . . . . 33 LEU HB3 . 6885 1
163 . 1 1 25 25 LEU HD11 H 1 1.45 0.005 . 4 . . . . 33 LEU HD1 . 6885 1
164 . 1 1 25 25 LEU HD12 H 1 1.45 0.005 . 4 . . . . 33 LEU HD1 . 6885 1
165 . 1 1 25 25 LEU HD13 H 1 1.45 0.005 . 4 . . . . 33 LEU HD1 . 6885 1
166 . 1 1 25 25 LEU N N 15 128.31 0.02 . 1 . . . . 33 LEU N . 6885 1
167 . 1 1 26 26 VAL H H 1 8.69 0.005 . 1 . . . . 34 VAL H . 6885 1
168 . 1 1 26 26 VAL HA H 1 4.32 0.005 . 1 . . . . 34 VAL HA . 6885 1
169 . 1 1 26 26 VAL HB H 1 2.00 0.005 . 1 . . . . 34 VAL HB . 6885 1
170 . 1 1 26 26 VAL HG11 H 1 0.81 0.005 . 2 . . . . 34 VAL HG1 . 6885 1
171 . 1 1 26 26 VAL HG12 H 1 0.81 0.005 . 2 . . . . 34 VAL HG1 . 6885 1
172 . 1 1 26 26 VAL HG13 H 1 0.81 0.005 . 2 . . . . 34 VAL HG1 . 6885 1
173 . 1 1 26 26 VAL HG21 H 1 0.71 0.005 . 2 . . . . 34 VAL HG2 . 6885 1
174 . 1 1 26 26 VAL HG22 H 1 0.71 0.005 . 2 . . . . 34 VAL HG2 . 6885 1
175 . 1 1 26 26 VAL HG23 H 1 0.71 0.005 . 2 . . . . 34 VAL HG2 . 6885 1
176 . 1 1 26 26 VAL N N 15 125.03 0.02 . 1 . . . . 34 VAL N . 6885 1
177 . 1 1 27 27 HIS H H 1 8.79 0.005 . 1 . . . . 35 HIS H . 6885 1
178 . 1 1 27 27 HIS HA H 1 4.97 0.005 . 1 . . . . 35 HIS HA . 6885 1
179 . 1 1 27 27 HIS HB2 H 1 3.13 0.005 . 2 . . . . 35 HIS HB2 . 6885 1
180 . 1 1 27 27 HIS HB3 H 1 3.02 0.005 . 2 . . . . 35 HIS HB3 . 6885 1
181 . 1 1 27 27 HIS HD2 H 1 7.32 0.005 . 1 . . . . 35 HIS HD2 . 6885 1
182 . 1 1 27 27 HIS N N 15 124 0.02 . 1 . . . . 35 HIS N . 6885 1
183 . 1 1 28 28 PRO HA H 1 3.91 0.005 . 1 . . . . 36 PRO HA . 6885 1
184 . 1 1 28 28 PRO HB2 H 1 1.87 0.005 . 2 . . . . 36 PRO HB2 . 6885 1
185 . 1 1 28 28 PRO HB3 H 1 2.12 0.005 . 2 . . . . 36 PRO HB3 . 6885 1
186 . 1 1 28 28 PRO HG2 H 1 1.51 0.005 . 2 . . . . 36 PRO HG2 . 6885 1
187 . 1 1 28 28 PRO HD2 H 1 3.20 0.005 . 2 . . . . 36 PRO HD2 . 6885 1
188 . 1 1 29 29 GLY H H 1 9.66 0.005 . 1 . . . . 37 GLY H . 6885 1
189 . 1 1 29 29 GLY HA2 H 1 4.45 0.005 . 2 . . . . 37 GLY HA2 . 6885 1
190 . 1 1 29 29 GLY HA3 H 1 3.55 0.005 . 2 . . . . 37 GLY HA3 . 6885 1
191 . 1 1 29 29 GLY N N 15 116.72 0.02 . 1 . . . . 37 GLY N . 6885 1
192 . 1 1 30 30 ASP H H 1 8.19 0.005 . 1 . . . . 38 ASP H . 6885 1
193 . 1 1 30 30 ASP HA H 1 4.68 0.005 . 1 . . . . 38 ASP HA . 6885 1
194 . 1 1 30 30 ASP HB2 H 1 3.00 0.005 . 2 . . . . 38 ASP HB2 . 6885 1
195 . 1 1 30 30 ASP HB3 H 1 2.63 0.005 . 2 . . . . 38 ASP HB3 . 6885 1
196 . 1 1 30 30 ASP N N 15 122.2 0.02 . 1 . . . . 38 ASP N . 6885 1
197 . 1 1 31 31 LEU H H 1 8.31 0.005 . 1 . . . . 39 LEU H . 6885 1
198 . 1 1 31 31 LEU HA H 1 4.51 0.005 . 1 . . . . 39 LEU HA . 6885 1
199 . 1 1 31 31 LEU HB2 H 1 1.55 0.005 . 4 . . . . 39 LEU HB2 . 6885 1
200 . 1 1 31 31 LEU N N 15 122.22 0.02 . 1 . . . . 39 LEU N . 6885 1
201 . 1 1 32 32 LEU H H 1 8.85 0.005 . 1 . . . . 40 LEU H . 6885 1
202 . 1 1 32 32 LEU HA H 1 4.42 0.005 . 1 . . . . 40 LEU HA . 6885 1
203 . 1 1 32 32 LEU HB2 H 1 1.68 0.005 . 2 . . . . 40 LEU HB2 . 6885 1
204 . 1 1 32 32 LEU HB3 H 1 1.24 0.005 . 2 . . . . 40 LEU HB3 . 6885 1
205 . 1 1 32 32 LEU HG H 1 1.13 0.005 . 1 . . . . 40 LEU HG . 6885 1
206 . 1 1 32 32 LEU HD11 H 1 0.55 0.005 . 2 . . . . 40 LEU HD1 . 6885 1
207 . 1 1 32 32 LEU HD12 H 1 0.55 0.005 . 2 . . . . 40 LEU HD1 . 6885 1
208 . 1 1 32 32 LEU HD13 H 1 0.55 0.005 . 2 . . . . 40 LEU HD1 . 6885 1
209 . 1 1 32 32 LEU HD21 H 1 0.41 0.005 . 2 . . . . 40 LEU HD2 . 6885 1
210 . 1 1 32 32 LEU HD22 H 1 0.41 0.005 . 2 . . . . 40 LEU HD2 . 6885 1
211 . 1 1 32 32 LEU HD23 H 1 0.41 0.005 . 2 . . . . 40 LEU HD2 . 6885 1
212 . 1 1 32 32 LEU N N 15 129.79 0.02 . 1 . . . . 40 LEU N . 6885 1
213 . 1 1 33 33 GLN H H 1 8.21 0.005 . 1 . . . . 41 GLN H . 6885 1
214 . 1 1 33 33 GLN HA H 1 5.02 0.005 . 1 . . . . 41 GLN HA . 6885 1
215 . 1 1 33 33 GLN HB2 H 1 1.84 0.005 . 2 . . . . 41 GLN HB2 . 6885 1
216 . 1 1 33 33 GLN HB3 H 1 1.74 0.005 . 2 . . . . 41 GLN HB3 . 6885 1
217 . 1 1 33 33 GLN HG2 H 1 2.01 0.005 . 2 . . . . 41 GLN HG2 . 6885 1
218 . 1 1 33 33 GLN HE21 H 1 7.88 0.005 . 2 . . . . 41 GLN HE21 . 6885 1
219 . 1 1 33 33 GLN HE22 H 1 6.69 0.005 . 2 . . . . 41 GLN HE22 . 6885 1
220 . 1 1 33 33 GLN N N 15 124.83 0.02 . 1 . . . . 41 GLN N . 6885 1
221 . 1 1 33 33 GLN NE2 N 15 113.6 0.02 . 1 . . . . 41 GLN NE2 . 6885 1
222 . 1 1 34 34 LEU H H 1 8.46 0.005 . 1 . . . . 42 LEU H . 6885 1
223 . 1 1 34 34 LEU HA H 1 4.26 0.005 . 1 . . . . 42 LEU HA . 6885 1
224 . 1 1 34 34 LEU HB2 H 1 0.96 0.005 . 2 . . . . 42 LEU HB2 . 6885 1
225 . 1 1 34 34 LEU HB3 H 1 0.26 0.005 . 2 . . . . 42 LEU HB3 . 6885 1
226 . 1 1 34 34 LEU HG H 1 0.69 0.005 . 1 . . . . 42 LEU HG . 6885 1
227 . 1 1 34 34 LEU HD11 H 1 0.07 0.005 . 2 . . . . 42 LEU HD1 . 6885 1
228 . 1 1 34 34 LEU HD12 H 1 0.07 0.005 . 2 . . . . 42 LEU HD1 . 6885 1
229 . 1 1 34 34 LEU HD13 H 1 0.07 0.005 . 2 . . . . 42 LEU HD1 . 6885 1
230 . 1 1 34 34 LEU HD21 H 1 -0.12 0.005 . 2 . . . . 42 LEU HD2 . 6885 1
231 . 1 1 34 34 LEU HD22 H 1 -0.12 0.005 . 2 . . . . 42 LEU HD2 . 6885 1
232 . 1 1 34 34 LEU HD23 H 1 -0.12 0.005 . 2 . . . . 42 LEU HD2 . 6885 1
233 . 1 1 34 34 LEU N N 15 123.45 0.02 . 1 . . . . 42 LEU N . 6885 1
234 . 1 1 35 35 ARG H H 1 8.04 0.005 . 1 . . . . 43 ARG H . 6885 1
235 . 1 1 35 35 ARG HA H 1 5.36 0.005 . 1 . . . . 43 ARG HA . 6885 1
236 . 1 1 35 35 ARG HB2 H 1 1.81 0.005 . 2 . . . . 43 ARG HB2 . 6885 1
237 . 1 1 35 35 ARG HB3 H 1 1.70 0.005 . 2 . . . . 43 ARG HB3 . 6885 1
238 . 1 1 35 35 ARG HG2 H 1 1.59 0.005 . 2 . . . . 43 ARG HG2 . 6885 1
239 . 1 1 35 35 ARG HG3 H 1 1.53 0.005 . 2 . . . . 43 ARG HG3 . 6885 1
240 . 1 1 35 35 ARG HD2 H 1 3.17 0.005 . 2 . . . . 43 ARG HD2 . 6885 1
241 . 1 1 35 35 ARG HE H 1 7.38 0.005 . 1 . . . . 43 ARG HE . 6885 1
242 . 1 1 35 35 ARG N N 15 121.11 0.02 . 1 . . . . 43 ARG N . 6885 1
243 . 1 1 36 36 CYS H H 1 9.18 0.005 . 1 . . . . 44 CYS H . 6885 1
244 . 1 1 36 36 CYS HA H 1 4.42 0.005 . 1 . . . . 44 CYS HA . 6885 1
245 . 1 1 36 36 CYS HB2 H 1 3.06 0.005 . 2 . . . . 44 CYS HB2 . 6885 1
246 . 1 1 36 36 CYS N N 15 124.83 0.02 . 1 . . . . 44 CYS N . 6885 1
247 . 1 1 37 37 ARG H H 1 8.03 0.005 . 1 . . . . 45 ARG H . 6885 1
248 . 1 1 37 37 ARG HA H 1 4.25 0.005 . 1 . . . . 45 ARG HA . 6885 1
249 . 1 1 37 37 ARG HB2 H 1 1.75 0.005 . 2 . . . . 45 ARG HB2 . 6885 1
250 . 1 1 37 37 ARG HB3 H 1 1.68 0.005 . 2 . . . . 45 ARG HB3 . 6885 1
251 . 1 1 37 37 ARG HG2 H 1 1.50 0.005 . 2 . . . . 45 ARG HG2 . 6885 1
252 . 1 1 37 37 ARG N N 15 125.12 0.02 . 1 . . . . 45 ARG N . 6885 1
253 . 1 1 38 38 LEU H H 1 8.51 0.005 . 1 . . . . 46 LEU H . 6885 1
254 . 1 1 38 38 LEU HA H 1 4.46 0.005 . 1 . . . . 46 LEU HA . 6885 1
255 . 1 1 38 38 LEU HB2 H 1 1.68 0.005 . 2 . . . . 46 LEU HB2 . 6885 1
256 . 1 1 38 38 LEU HG H 1 1.64 0.005 . 1 . . . . 46 LEU HG . 6885 1
257 . 1 1 38 38 LEU HD11 H 1 1.48 0.005 . 4 . . . . 46 LEU HD1 . 6885 1
258 . 1 1 38 38 LEU HD12 H 1 1.48 0.005 . 4 . . . . 46 LEU HD1 . 6885 1
259 . 1 1 38 38 LEU HD13 H 1 1.48 0.005 . 4 . . . . 46 LEU HD1 . 6885 1
260 . 1 1 38 38 LEU N N 15 125.82 0.02 . 1 . . . . 46 LEU N . 6885 1
261 . 1 1 39 39 ARG H H 1 7.7 0.005 . 1 . . . . 47 ARG H . 6885 1
262 . 1 1 39 39 ARG HA H 1 4.47 0.005 . 1 . . . . 47 ARG HA . 6885 1
263 . 1 1 39 39 ARG HB2 H 1 1.68 0.005 . 4 . . . . 47 ARG HB2 . 6885 1
264 . 1 1 39 39 ARG HB3 H 1 1.99 0.005 . 4 . . . . 47 ARG HB3 . 6885 1
265 . 1 1 39 39 ARG HG2 H 1 1.56 0.005 . 2 . . . . 47 ARG HG2 . 6885 1
266 . 1 1 39 39 ARG N N 15 121.14 0.02 . 1 . . . . 47 ARG N . 6885 1
267 . 1 1 40 40 ASP H H 1 8.48 0.005 . 1 . . . . 48 ASP H . 6885 1
268 . 1 1 40 40 ASP HA H 1 4.37 0.005 . 1 . . . . 48 ASP HA . 6885 1
269 . 1 1 40 40 ASP HB2 H 1 2.30 0.005 . 2 . . . . 48 ASP HB2 . 6885 1
270 . 1 1 40 40 ASP N N 15 119.87 0.02 . 1 . . . . 48 ASP N . 6885 1
271 . 1 1 41 41 ASP H H 1 8.46 0.005 . 1 . . . . 49 ASP H . 6885 1
272 . 1 1 41 41 ASP HA H 1 4.49 0.005 . 1 . . . . 49 ASP HA . 6885 1
273 . 1 1 41 41 ASP HB2 H 1 2.79 0.005 . 2 . . . . 49 ASP HB2 . 6885 1
274 . 1 1 41 41 ASP HB3 H 1 2.63 0.005 . 2 . . . . 49 ASP HB3 . 6885 1
275 . 1 1 41 41 ASP N N 15 116.23 0.02 . 1 . . . . 49 ASP N . 6885 1
276 . 1 1 42 42 VAL H H 1 7.3 0.005 . 1 . . . . 50 VAL H . 6885 1
277 . 1 1 42 42 VAL HA H 1 3.78 0.005 . 1 . . . . 50 VAL HA . 6885 1
278 . 1 1 42 42 VAL HB H 1 2.11 0.005 . 1 . . . . 50 VAL HB . 6885 1
279 . 1 1 42 42 VAL HG11 H 1 1.05 0.005 . 2 . . . . 50 VAL HG1 . 6885 1
280 . 1 1 42 42 VAL HG12 H 1 1.05 0.005 . 2 . . . . 50 VAL HG1 . 6885 1
281 . 1 1 42 42 VAL HG13 H 1 1.05 0.005 . 2 . . . . 50 VAL HG1 . 6885 1
282 . 1 1 42 42 VAL HG21 H 1 0.96 0.005 . 2 . . . . 50 VAL HG2 . 6885 1
283 . 1 1 42 42 VAL HG22 H 1 0.96 0.005 . 2 . . . . 50 VAL HG2 . 6885 1
284 . 1 1 42 42 VAL HG23 H 1 0.96 0.005 . 2 . . . . 50 VAL HG2 . 6885 1
285 . 1 1 42 42 VAL N N 15 118.84 0.02 . 1 . . . . 50 VAL N . 6885 1
286 . 1 1 43 43 GLN H H 1 9.08 0.005 . 1 . . . . 51 GLN H . 6885 1
287 . 1 1 43 43 GLN HA H 1 4.49 0.005 . 1 . . . . 51 GLN HA . 6885 1
288 . 1 1 43 43 GLN HB2 H 1 1.91 0.005 . 2 . . . . 51 GLN HB2 . 6885 1
289 . 1 1 43 43 GLN HB3 H 1 2.13 0.005 . 2 . . . . 51 GLN HB3 . 6885 1
290 . 1 1 43 43 GLN HG2 H 1 2.48 0.005 . 2 . . . . 51 GLN HG2 . 6885 1
291 . 1 1 43 43 GLN HG3 H 1 2.41 0.005 . 2 . . . . 51 GLN HG3 . 6885 1
292 . 1 1 43 43 GLN HE21 H 1 7.46 0.005 . 2 . . . . 51 GLN HE21 . 6885 1
293 . 1 1 43 43 GLN HE22 H 1 6.78 0.005 . 2 . . . . 51 GLN HE22 . 6885 1
294 . 1 1 43 43 GLN N N 15 125.06 0.02 . 1 . . . . 51 GLN N . 6885 1
295 . 1 1 43 43 GLN NE2 N 15 112.30 0.02 . 1 . . . . 51 GLN NE2 . 6885 1
296 . 1 1 44 44 SER H H 1 7.65 0.005 . 1 . . . . 52 SER H . 6885 1
297 . 1 1 44 44 SER HA H 1 4.67 0.005 . 1 . . . . 52 SER HA . 6885 1
298 . 1 1 44 44 SER HB2 H 1 3.77 0.005 . 2 . . . . 52 SER HB2 . 6885 1
299 . 1 1 44 44 SER N N 15 112.64 0.02 . 1 . . . . 52 SER N . 6885 1
300 . 1 1 45 45 ILE H H 1 8.37 0.005 . 1 . . . . 53 ILE H . 6885 1
301 . 1 1 45 45 ILE HA H 1 4.51 0.005 . 1 . . . . 53 ILE HA . 6885 1
302 . 1 1 45 45 ILE HB H 1 1.50 0.005 . 1 . . . . 53 ILE HB . 6885 1
303 . 1 1 45 45 ILE HG12 H 1 0.72 0.005 . 2 . . . . 53 ILE HG12 . 6885 1
304 . 1 1 45 45 ILE HG13 H 1 0.74 0.005 . 2 . . . . 53 ILE HG13 . 6885 1
305 . 1 1 45 45 ILE HG21 H 1 0.59 0.005 . 1 . . . . 53 ILE HG2 . 6885 1
306 . 1 1 45 45 ILE HG22 H 1 0.59 0.005 . 1 . . . . 53 ILE HG2 . 6885 1
307 . 1 1 45 45 ILE HG23 H 1 0.59 0.005 . 1 . . . . 53 ILE HG2 . 6885 1
308 . 1 1 45 45 ILE HD11 H 1 1.36 0.005 . 1 . . . . 53 ILE HD1 . 6885 1
309 . 1 1 45 45 ILE HD12 H 1 1.36 0.005 . 1 . . . . 53 ILE HD1 . 6885 1
310 . 1 1 45 45 ILE HD13 H 1 1.36 0.005 . 1 . . . . 53 ILE HD1 . 6885 1
311 . 1 1 45 45 ILE N N 15 121.71 0.02 . 1 . . . . 53 ILE N . 6885 1
312 . 1 1 46 46 ASN H H 1 8.74 0.005 . 1 . . . . 54 ASN H . 6885 1
313 . 1 1 46 46 ASN HA H 1 5.2 0.005 . 1 . . . . 54 ASN HA . 6885 1
314 . 1 1 46 46 ASN HB2 H 1 2.59 0.005 . 2 . . . . 54 ASN HB2 . 6885 1
315 . 1 1 46 46 ASN HB3 H 1 2.52 0.005 . 2 . . . . 54 ASN HB3 . 6885 1
316 . 1 1 46 46 ASN HD21 H 1 7.52 0.005 . 2 . . . . 54 ASN HD21 . 6885 1
317 . 1 1 46 46 ASN HD22 H 1 7.05 0.005 . 2 . . . . 54 ASN HD22 . 6885 1
318 . 1 1 46 46 ASN N N 15 125.65 0.02 . 1 . . . . 54 ASN N . 6885 1
319 . 1 1 46 46 ASN ND2 N 15 112.47 0.02 . 1 . . . . 54 ASN ND2 . 6885 1
320 . 1 1 47 47 TRP H H 1 8.55 0.005 . 1 . . . . 55 TRP H . 6885 1
321 . 1 1 47 47 TRP HA H 1 5.55 0.005 . 1 . . . . 55 TRP HA . 6885 1
322 . 1 1 47 47 TRP HB2 H 1 2.98 0.005 . 2 . . . . 55 TRP HB2 . 6885 1
323 . 1 1 47 47 TRP HB3 H 1 3.05 0.005 . 2 . . . . 55 TRP HB3 . 6885 1
324 . 1 1 47 47 TRP HD1 H 1 7.11 0.005 . 1 . . . . 55 TRP HD1 . 6885 1
325 . 1 1 47 47 TRP HE1 H 1 9.73 0.005 . 1 . . . . 55 TRP HE1 . 6885 1
326 . 1 1 47 47 TRP HE3 H 1 7.42 0.005 . 1 . . . . 55 TRP HE3 . 6885 1
327 . 1 1 47 47 TRP HZ2 H 1 7.30 0.005 . 1 . . . . 55 TRP HZ2 . 6885 1
328 . 1 1 47 47 TRP HZ3 H 1 6.64 0.005 . 1 . . . . 55 TRP HZ3 . 6885 1
329 . 1 1 47 47 TRP HH2 H 1 6.49 0.005 . 1 . . . . 55 TRP HH2 . 6885 1
330 . 1 1 47 47 TRP N N 15 122.69 0.02 . 1 . . . . 55 TRP N . 6885 1
331 . 1 1 47 47 TRP NE1 N 15 127.8 0.02 . 1 . . . . 55 TRP NE1 . 6885 1
332 . 1 1 48 48 LEU H H 1 9.63 0.005 . 1 . . . . 56 LEU H . 6885 1
333 . 1 1 48 48 LEU HA H 1 5.08 0.005 . 1 . . . . 56 LEU HA . 6885 1
334 . 1 1 48 48 LEU HB2 H 1 1.71 0.005 . 2 . . . . 56 LEU HB2 . 6885 1
335 . 1 1 48 48 LEU HB3 H 1 1.17 0.005 . 2 . . . . 56 LEU HB3 . 6885 1
336 . 1 1 48 48 LEU HG H 1 1.43 0.005 . 1 . . . . 56 LEU HG . 6885 1
337 . 1 1 48 48 LEU HD11 H 1 0.71 0.005 . 2 . . . . 56 LEU HD1 . 6885 1
338 . 1 1 48 48 LEU HD12 H 1 0.71 0.005 . 2 . . . . 56 LEU HD1 . 6885 1
339 . 1 1 48 48 LEU HD13 H 1 0.71 0.005 . 2 . . . . 56 LEU HD1 . 6885 1
340 . 1 1 48 48 LEU HD21 H 1 0.60 0.005 . 2 . . . . 56 LEU HD2 . 6885 1
341 . 1 1 48 48 LEU HD22 H 1 0.60 0.005 . 2 . . . . 56 LEU HD2 . 6885 1
342 . 1 1 48 48 LEU HD23 H 1 0.60 0.005 . 2 . . . . 56 LEU HD2 . 6885 1
343 . 1 1 48 48 LEU N N 15 122.21 0.02 . 1 . . . . 56 LEU N . 6885 1
344 . 1 1 49 49 ARG H H 1 9.03 0.005 . 1 . . . . 57 ARG H . 6885 1
345 . 1 1 49 49 ARG HA H 1 4.64 0.005 . 1 . . . . 57 ARG HA . 6885 1
346 . 1 1 49 49 ARG HB2 H 1 1.55 0.005 . 4 . . . . 57 ARG HB2 . 6885 1
347 . 1 1 49 49 ARG N N 15 118.78 0.02 . 1 . . . . 57 ARG N . 6885 1
348 . 1 1 50 50 ASP H H 1 9.78 0.005 . 1 . . . . 58 ASP H . 6885 1
349 . 1 1 50 50 ASP HA H 1 4.32 0.005 . 1 . . . . 58 ASP HA . 6885 1
350 . 1 1 50 50 ASP HB2 H 1 2.62 0.005 . 2 . . . . 58 ASP HB2 . 6885 1
351 . 1 1 50 50 ASP N N 15 129.71 0.02 . 1 . . . . 58 ASP N . 6885 1
352 . 1 1 51 51 GLY H H 1 8.3 0.005 . 1 . . . . 59 GLY H . 6885 1
353 . 1 1 51 51 GLY HA2 H 1 3.28 0.005 . 2 . . . . 59 GLY HA2 . 6885 1
354 . 1 1 51 51 GLY HA3 H 1 4.04 0.005 . 2 . . . . 59 GLY HA3 . 6885 1
355 . 1 1 51 51 GLY N N 15 101.5 0.02 . 1 . . . . 59 GLY N . 6885 1
356 . 1 1 52 52 VAL H H 1 7.71 0.005 . 1 . . . . 60 VAL H . 6885 1
357 . 1 1 52 52 VAL HA H 1 4.39 0.005 . 1 . . . . 60 VAL HA . 6885 1
358 . 1 1 52 52 VAL HB H 1 2.12 0.005 . 1 . . . . 60 VAL HB . 6885 1
359 . 1 1 52 52 VAL HG11 H 1 1.00 0.005 . 2 . . . . 60 VAL HG1 . 6885 1
360 . 1 1 52 52 VAL HG12 H 1 1.00 0.005 . 2 . . . . 60 VAL HG1 . 6885 1
361 . 1 1 52 52 VAL HG13 H 1 1.00 0.005 . 2 . . . . 60 VAL HG1 . 6885 1
362 . 1 1 52 52 VAL HG21 H 1 0.90 0.005 . 2 . . . . 60 VAL HG2 . 6885 1
363 . 1 1 52 52 VAL HG22 H 1 0.90 0.005 . 2 . . . . 60 VAL HG2 . 6885 1
364 . 1 1 52 52 VAL HG23 H 1 0.90 0.005 . 2 . . . . 60 VAL HG2 . 6885 1
365 . 1 1 52 52 VAL N N 15 119.73 0.02 . 1 . . . . 60 VAL N . 6885 1
366 . 1 1 53 53 GLN H H 1 8.65 0.005 . 1 . . . . 61 GLN H . 6885 1
367 . 1 1 53 53 GLN HA H 1 4.21 0.005 . 1 . . . . 61 GLN HA . 6885 1
368 . 1 1 53 53 GLN HB2 H 1 2.09 0.005 . 2 . . . . 61 GLN HB2 . 6885 1
369 . 1 1 53 53 GLN HB3 H 1 1.99 0.005 . 2 . . . . 61 GLN HB3 . 6885 1
370 . 1 1 53 53 GLN HG2 H 1 2.47 0.005 . 2 . . . . 61 GLN HG2 . 6885 1
371 . 1 1 53 53 GLN HG3 H 1 2.43 0.005 . 2 . . . . 61 GLN HG3 . 6885 1
372 . 1 1 53 53 GLN HE21 H 1 7.76 0.005 . 2 . . . . 61 GLN HE21 . 6885 1
373 . 1 1 53 53 GLN HE22 H 1 7.26 0.005 . 2 . . . . 61 GLN HE22 . 6885 1
374 . 1 1 53 53 GLN N N 15 125.03 0.02 . 1 . . . . 61 GLN N . 6885 1
375 . 1 1 53 53 GLN NE2 N 15 113.52 0.02 . 1 . . . . 61 GLN NE2 . 6885 1
376 . 1 1 54 54 LEU H H 1 8.58 0.005 . 1 . . . . 62 LEU H . 6885 1
377 . 1 1 54 54 LEU HA H 1 4.39 0.005 . 1 . . . . 62 LEU HA . 6885 1
378 . 1 1 54 54 LEU HB2 H 1 1.68 0.005 . 2 . . . . 62 LEU HB2 . 6885 1
379 . 1 1 54 54 LEU HB3 H 1 1.15 0.005 . 2 . . . . 62 LEU HB3 . 6885 1
380 . 1 1 54 54 LEU N N 15 129.36 0.02 . 1 . . . . 62 LEU N . 6885 1
381 . 1 1 55 55 VAL H H 1 7.95 0.005 . 1 . . . . 63 VAL H . 6885 1
382 . 1 1 55 55 VAL HA H 1 4.42 0.005 . 1 . . . . 63 VAL HA . 6885 1
383 . 1 1 55 55 VAL HB H 1 2.12 0.005 . 1 . . . . 63 VAL HB . 6885 1
384 . 1 1 55 55 VAL HG11 H 1 0.99 0.005 . 2 . . . . 63 VAL HG1 . 6885 1
385 . 1 1 55 55 VAL HG12 H 1 0.99 0.005 . 2 . . . . 63 VAL HG1 . 6885 1
386 . 1 1 55 55 VAL HG13 H 1 0.99 0.005 . 2 . . . . 63 VAL HG1 . 6885 1
387 . 1 1 55 55 VAL HG21 H 1 0.91 0.005 . 2 . . . . 63 VAL HG2 . 6885 1
388 . 1 1 55 55 VAL HG22 H 1 0.91 0.005 . 2 . . . . 63 VAL HG2 . 6885 1
389 . 1 1 55 55 VAL HG23 H 1 0.91 0.005 . 2 . . . . 63 VAL HG2 . 6885 1
390 . 1 1 55 55 VAL N N 15 122.01 0.02 . 1 . . . . 63 VAL N . 6885 1
391 . 1 1 56 56 GLU H H 1 8.53 0.005 . 1 . . . . 64 GLU H . 6885 1
392 . 1 1 56 56 GLU HA H 1 4.11 0.005 . 1 . . . . 64 GLU HA . 6885 1
393 . 1 1 56 56 GLU HB2 H 1 2.15 0.005 . 2 . . . . 64 GLU HB2 . 6885 1
394 . 1 1 56 56 GLU HB3 H 1 2.10 0.005 . 2 . . . . 64 GLU HB3 . 6885 1
395 . 1 1 56 56 GLU N N 15 122.97 0.02 . 1 . . . . 64 GLU N . 6885 1
396 . 1 1 57 57 SER H H 1 9.08 0.005 . 1 . . . . 65 SER H . 6885 1
397 . 1 1 57 57 SER HA H 1 4.8 0.005 . 1 . . . . 65 SER HA . 6885 1
398 . 1 1 57 57 SER N N 15 117.95 0.02 . 1 . . . . 65 SER N . 6885 1
399 . 1 1 59 59 ARG HG2 H 1 1.68 0.005 . 2 . . . . 67 ARG HG2 . 6885 1
400 . 1 1 59 59 ARG HD2 H 1 3.24 0.005 . 2 . . . . 67 ARG HD2 . 6885 1
401 . 1 1 59 59 ARG HD3 H 1 3.34 0.005 . 2 . . . . 67 ARG HD3 . 6885 1
402 . 1 1 60 60 THR H H 1 7.43 0.005 . 1 . . . . 68 THR H . 6885 1
403 . 1 1 60 60 THR HA H 1 5.02 0.005 . 1 . . . . 68 THR HA . 6885 1
404 . 1 1 60 60 THR HB H 1 4.13 0.005 . 1 . . . . 68 THR HB . 6885 1
405 . 1 1 60 60 THR HG21 H 1 0.92 0.005 . 1 . . . . 68 THR HG2 . 6885 1
406 . 1 1 60 60 THR HG22 H 1 0.92 0.005 . 1 . . . . 68 THR HG2 . 6885 1
407 . 1 1 60 60 THR HG23 H 1 0.92 0.005 . 1 . . . . 68 THR HG2 . 6885 1
408 . 1 1 60 60 THR N N 15 118.13 0.02 . 1 . . . . 68 THR N . 6885 1
409 . 1 1 61 61 ARG H H 1 9.11 0.005 . 1 . . . . 69 ARG H . 6885 1
410 . 1 1 61 61 ARG HA H 1 4.81 0.005 . 1 . . . . 69 ARG HA . 6885 1
411 . 1 1 61 61 ARG HB2 H 1 1.73 0.005 . 2 . . . . 69 ARG HB2 . 6885 1
412 . 1 1 61 61 ARG HB3 H 1 1.67 0.005 . 2 . . . . 69 ARG HB3 . 6885 1
413 . 1 1 61 61 ARG HG2 H 1 1.57 0.005 . 2 . . . . 69 ARG HG2 . 6885 1
414 . 1 1 61 61 ARG HG3 H 1 1.42 0.005 . 2 . . . . 69 ARG HG3 . 6885 1
415 . 1 1 61 61 ARG HD2 H 1 3.14 0.005 . 2 . . . . 69 ARG HD2 . 6885 1
416 . 1 1 61 61 ARG HD3 H 1 3.07 0.005 . 2 . . . . 69 ARG HD3 . 6885 1
417 . 1 1 61 61 ARG HE H 1 7.04 0.005 . 1 . . . . 69 ARG HE . 6885 1
418 . 1 1 61 61 ARG N N 15 127.5 0.02 . 1 . . . . 69 ARG N . 6885 1
419 . 1 1 62 62 ILE H H 1 9.3 0.005 . 1 . . . . 70 ILE H . 6885 1
420 . 1 1 62 62 ILE HA H 1 4.32 0.005 . 1 . . . . 70 ILE HA . 6885 1
421 . 1 1 62 62 ILE HB H 1 1.69 0.005 . 1 . . . . 70 ILE HB . 6885 1
422 . 1 1 62 62 ILE HG12 H 1 0.57 0.005 . 2 . . . . 70 ILE HG12 . 6885 1
423 . 1 1 62 62 ILE HG21 H 1 0.82 0.005 . 1 . . . . 70 ILE HG2 . 6885 1
424 . 1 1 62 62 ILE HG22 H 1 0.82 0.005 . 1 . . . . 70 ILE HG2 . 6885 1
425 . 1 1 62 62 ILE HG23 H 1 0.82 0.005 . 1 . . . . 70 ILE HG2 . 6885 1
426 . 1 1 62 62 ILE HD11 H 1 1.25 0.005 . 1 . . . . 70 ILE HD1 . 6885 1
427 . 1 1 62 62 ILE HD12 H 1 1.25 0.005 . 1 . . . . 70 ILE HD1 . 6885 1
428 . 1 1 62 62 ILE HD13 H 1 1.25 0.005 . 1 . . . . 70 ILE HD1 . 6885 1
429 . 1 1 62 62 ILE N N 15 127.16 0.02 . 1 . . . . 70 ILE N . 6885 1
430 . 1 1 63 63 THR H H 1 8.82 0.005 . 1 . . . . 71 THR H . 6885 1
431 . 1 1 63 63 THR HA H 1 4.6 0.005 . 1 . . . . 71 THR HA . 6885 1
432 . 1 1 63 63 THR HB H 1 4.24 0.005 . 1 . . . . 71 THR HB . 6885 1
433 . 1 1 63 63 THR HG21 H 1 1.11 0.005 . 1 . . . . 71 THR HG1 . 6885 1
434 . 1 1 63 63 THR HG22 H 1 1.11 0.005 . 1 . . . . 71 THR HG1 . 6885 1
435 . 1 1 63 63 THR HG23 H 1 1.11 0.005 . 1 . . . . 71 THR HG1 . 6885 1
436 . 1 1 63 63 THR N N 15 121.97 0.02 . 1 . . . . 71 THR N . 6885 1
437 . 1 1 64 64 GLY H H 1 8.35 0.005 . 1 . . . . 72 GLY H . 6885 1
438 . 1 1 64 64 GLY HA2 H 1 4.22 0.005 . 2 . . . . 72 GLY HA2 . 6885 1
439 . 1 1 64 64 GLY HA3 H 1 3.64 0.005 . 2 . . . . 72 GLY HA3 . 6885 1
440 . 1 1 64 64 GLY N N 15 114.03 0.02 . 1 . . . . 72 GLY N . 6885 1
441 . 1 1 65 65 GLU H H 1 9.65 0.005 . 1 . . . . 73 GLU H . 6885 1
442 . 1 1 65 65 GLU HA H 1 4.35 0.005 . 1 . . . . 73 GLU HA . 6885 1
443 . 1 1 65 65 GLU HB2 H 1 2.13 0.005 . 2 . . . . 73 GLU HB2 . 6885 1
444 . 1 1 65 65 GLU HB3 H 1 2.08 0.005 . 2 . . . . 73 GLU HB3 . 6885 1
445 . 1 1 65 65 GLU HG2 H 1 2.35 0.005 . 2 . . . . 73 GLU HG2 . 6885 1
446 . 1 1 65 65 GLU N N 15 125.96 0.02 . 1 . . . . 73 GLU N . 6885 1
447 . 1 1 66 66 GLU H H 1 7.87 0.005 . 1 . . . . 74 GLU H . 6885 1
448 . 1 1 66 66 GLU HA H 1 5.46 0.005 . 1 . . . . 74 GLU HA . 6885 1
449 . 1 1 66 66 GLU HB2 H 1 1.92 0.005 . 2 . . . . 74 GLU HB2 . 6885 1
450 . 1 1 66 66 GLU HB3 H 1 1.85 0.005 . 2 . . . . 74 GLU HB3 . 6885 1
451 . 1 1 66 66 GLU HG2 H 1 2.10 0.005 . 2 . . . . 74 GLU HG2 . 6885 1
452 . 1 1 66 66 GLU HG3 H 1 2.04 0.005 . 2 . . . . 74 GLU HG3 . 6885 1
453 . 1 1 66 66 GLU N N 15 119.22 0.02 . 1 . . . . 74 GLU N . 6885 1
454 . 1 1 67 67 VAL H H 1 8.07 0.005 . 1 . . . . 75 VAL H . 6885 1
455 . 1 1 67 67 VAL HA H 1 4.32 0.005 . 1 . . . . 75 VAL HA . 6885 1
456 . 1 1 67 67 VAL HB H 1 0.54 0.005 . 1 . . . . 75 VAL HB . 6885 1
457 . 1 1 67 67 VAL HG11 H 1 0.02 0.005 . 2 . . . . 75 VAL HG1 . 6885 1
458 . 1 1 67 67 VAL HG12 H 1 0.02 0.005 . 2 . . . . 75 VAL HG1 . 6885 1
459 . 1 1 67 67 VAL HG13 H 1 0.02 0.005 . 2 . . . . 75 VAL HG1 . 6885 1
460 . 1 1 67 67 VAL HG21 H 1 -0.70 0.005 . 2 . . . . 75 VAL HG2 . 6885 1
461 . 1 1 67 67 VAL HG22 H 1 -0.70 0.005 . 2 . . . . 75 VAL HG2 . 6885 1
462 . 1 1 67 67 VAL HG23 H 1 -0.70 0.005 . 2 . . . . 75 VAL HG2 . 6885 1
463 . 1 1 67 67 VAL N N 15 121.41 0.02 . 1 . . . . 75 VAL N . 6885 1
464 . 1 1 68 68 GLU H H 1 8.61 0.005 . 1 . . . . 76 GLU H . 6885 1
465 . 1 1 68 68 GLU HA H 1 5.18 0.005 . 1 . . . . 76 GLU HA . 6885 1
466 . 1 1 68 68 GLU HB2 H 1 1.83 0.005 . 2 . . . . 76 GLU HB2 . 6885 1
467 . 1 1 68 68 GLU HG2 H 1 2.06 0.005 . 2 . . . . 76 GLU HG2 . 6885 1
468 . 1 1 68 68 GLU N N 15 125.95 0.02 . 1 . . . . 76 GLU N . 6885 1
469 . 1 1 69 69 VAL H H 1 9.07 0.005 . 1 . . . . 77 VAL H . 6885 1
470 . 1 1 69 69 VAL HA H 1 4.76 0.005 . 1 . . . . 77 VAL HA . 6885 1
471 . 1 1 69 69 VAL HB H 1 1.87 0.005 . 1 . . . . 77 VAL HB . 6885 1
472 . 1 1 69 69 VAL HG11 H 1 0.67 0.005 . 2 . . . . 77 VAL HG1 . 6885 1
473 . 1 1 69 69 VAL HG12 H 1 0.67 0.005 . 2 . . . . 77 VAL HG1 . 6885 1
474 . 1 1 69 69 VAL HG13 H 1 0.67 0.005 . 2 . . . . 77 VAL HG1 . 6885 1
475 . 1 1 69 69 VAL N N 15 126.88 0.02 . 1 . . . . 77 VAL N . 6885 1
476 . 1 1 70 70 ARG H H 1 8.47 0.005 . 1 . . . . 78 ARG H . 6885 1
477 . 1 1 70 70 ARG HA H 1 4.34 0.005 . 1 . . . . 78 ARG HA . 6885 1
478 . 1 1 70 70 ARG HB2 H 1 1.63 0.005 . 2 . . . . 78 ARG HB2 . 6885 1
479 . 1 1 70 70 ARG HG2 H 1 1.60 0.005 . 2 . . . . 78 ARG HG2 . 6885 1
480 . 1 1 70 70 ARG HD2 H 1 3.12 0.005 . 2 . . . . 78 ARG HD2 . 6885 1
481 . 1 1 70 70 ARG HE H 1 7.28 0.005 . 1 . . . . 78 ARG HE . 6885 1
482 . 1 1 70 70 ARG N N 15 124.55 0.02 . 1 . . . . 78 ARG N . 6885 1
483 . 1 1 71 71 ASP H H 1 8.8 0.005 . 1 . . . . 79 ASP H . 6885 1
484 . 1 1 71 71 ASP HA H 1 3.98 0.005 . 1 . . . . 79 ASP HA . 6885 1
485 . 1 1 71 71 ASP HB2 H 1 2.70 0.005 . 2 . . . . 79 ASP HB2 . 6885 1
486 . 1 1 71 71 ASP HB3 H 1 2.50 0.005 . 2 . . . . 79 ASP HB3 . 6885 1
487 . 1 1 71 71 ASP N N 15 118.56 0.02 . 1 . . . . 79 ASP N . 6885 1
488 . 1 1 72 72 SER H H 1 7.01 0.005 . . . . . . 80 SER H . 6885 1
489 . 1 1 72 72 SER N N 15 110.66 0.02 . . . . . . 80 SER N . 6885 1
490 . 1 1 73 73 ILE H H 1 9.13 0.005 . 1 . . . . 81 ILE H . 6885 1
491 . 1 1 73 73 ILE HA H 1 4.85 0.005 . 1 . . . . 81 ILE HA . 6885 1
492 . 1 1 73 73 ILE HB H 1 2.10 0.005 . 1 . . . . 81 ILE HB . 6885 1
493 . 1 1 73 73 ILE HG12 H 1 1.24 0.005 . 2 . . . . 81 ILE HG12 . 6885 1
494 . 1 1 73 73 ILE HG13 H 1 1.03 0.005 . 2 . . . . 81 ILE HG13 . 6885 1
495 . 1 1 73 73 ILE HG21 H 1 1.00 0.005 . 1 . . . . 81 ILE HG2 . 6885 1
496 . 1 1 73 73 ILE HG22 H 1 1.00 0.005 . 1 . . . . 81 ILE HG2 . 6885 1
497 . 1 1 73 73 ILE HG23 H 1 1.00 0.005 . 1 . . . . 81 ILE HG2 . 6885 1
498 . 1 1 73 73 ILE HD11 H 1 0.84 0.005 . 1 . . . . 81 ILE HD1 . 6885 1
499 . 1 1 73 73 ILE HD12 H 1 0.84 0.005 . 1 . . . . 81 ILE HD1 . 6885 1
500 . 1 1 73 73 ILE HD13 H 1 0.84 0.005 . 1 . . . . 81 ILE HD1 . 6885 1
501 . 1 1 73 73 ILE N N 15 116.91 0.02 . 1 . . . . 81 ILE N . 6885 1
502 . 1 1 74 74 PRO HB2 H 1 2.12 0.005 . 2 . . . . 82 PRO HB2 . 6885 1
503 . 1 1 74 74 PRO HB3 H 1 2.28 0.005 . 2 . . . . 82 PRO HB3 . 6885 1
504 . 1 1 74 74 PRO HG2 H 1 1.82 0.005 . 2 . . . . 82 PRO HG2 . 6885 1
505 . 1 1 74 74 PRO HD2 H 1 3.86 0.005 . 2 . . . . 82 PRO HD2 . 6885 1
506 . 1 1 75 75 ALA H H 1 7.98 0.005 . 1 . . . . 83 ALA H . 6885 1
507 . 1 1 75 75 ALA HA H 1 4.32 0.005 . 1 . . . . 83 ALA HA . 6885 1
508 . 1 1 75 75 ALA HB1 H 1 1.40 0.005 . 1 . . . . 83 ALA HB . 6885 1
509 . 1 1 75 75 ALA HB2 H 1 1.40 0.005 . 1 . . . . 83 ALA HB . 6885 1
510 . 1 1 75 75 ALA HB3 H 1 1.40 0.005 . 1 . . . . 83 ALA HB . 6885 1
511 . 1 1 75 75 ALA N N 15 117.77 0.02 . 1 . . . . 83 ALA N . 6885 1
512 . 1 1 76 76 ASP H H 1 8.71 0.005 . 1 . . . . 84 ASP H . 6885 1
513 . 1 1 76 76 ASP HA H 1 4.54 0.005 . 1 . . . . 84 ASP HA . 6885 1
514 . 1 1 76 76 ASP HB2 H 1 2.93 0.005 . 2 . . . . 84 ASP HB2 . 6885 1
515 . 1 1 76 76 ASP HB3 H 1 2.55 0.005 . 2 . . . . 84 ASP HB3 . 6885 1
516 . 1 1 76 76 ASP N N 15 117.31 0.02 . 1 . . . . 84 ASP N . 6885 1
517 . 1 1 77 77 SER H H 1 8.06 0.005 . . . . . . 85 SER H . 6885 1
518 . 1 1 77 77 SER HA H 1 4.3 0.005 . . . . . . 85 SER HA . 6885 1
519 . 1 1 77 77 SER N N 15 116.86 0.02 . . . . . . 85 SER N . 6885 1
520 . 1 1 78 78 GLY H H 1 8.98 0.005 . 1 . . . . 86 GLY H . 6885 1
521 . 1 1 78 78 GLY HA2 H 1 4.33 0.005 . 2 . . . . 86 GLY HA2 . 6885 1
522 . 1 1 78 78 GLY HA3 H 1 4.05 0.005 . 2 . . . . 86 GLY HA3 . 6885 1
523 . 1 1 78 78 GLY N N 15 111.09 0.02 . 1 . . . . 86 GLY N . 6885 1
524 . 1 1 79 79 LEU H H 1 8.9 0.005 . 1 . . . . 87 LEU H . 6885 1
525 . 1 1 79 79 LEU HA H 1 5.41 0.005 . 1 . . . . 87 LEU HA . 6885 1
526 . 1 1 79 79 LEU HB2 H 1 2.17 0.005 . 2 . . . . 87 LEU HB2 . 6885 1
527 . 1 1 79 79 LEU HG H 1 1.49 0.005 . 1 . . . . 87 LEU HG . 6885 1
528 . 1 1 79 79 LEU HD11 H 1 0.96 0.005 . 2 . . . . 87 LEU HD1 . 6885 1
529 . 1 1 79 79 LEU HD12 H 1 0.96 0.005 . 2 . . . . 87 LEU HD1 . 6885 1
530 . 1 1 79 79 LEU HD13 H 1 0.96 0.005 . 2 . . . . 87 LEU HD1 . 6885 1
531 . 1 1 79 79 LEU HD21 H 1 0.72 0.005 . 2 . . . . 87 LEU HD2 . 6885 1
532 . 1 1 79 79 LEU HD22 H 1 0.72 0.005 . 2 . . . . 87 LEU HD2 . 6885 1
533 . 1 1 79 79 LEU HD23 H 1 0.72 0.005 . 2 . . . . 87 LEU HD2 . 6885 1
534 . 1 1 79 79 LEU N N 15 123.34 0.02 . 1 . . . . 87 LEU N . 6885 1
535 . 1 1 80 80 TYR H H 1 10.06 0.005 . 1 . . . . 88 TYR H . 6885 1
536 . 1 1 80 80 TYR HA H 1 5.56 0.005 . 1 . . . . 88 TYR HA . 6885 1
537 . 1 1 80 80 TYR HB2 H 1 3.43 0.005 . 2 . . . . 88 TYR HB2 . 6885 1
538 . 1 1 80 80 TYR HB3 H 1 2.97 0.005 . 2 . . . . 88 TYR HB3 . 6885 1
539 . 1 1 80 80 TYR HD1 H 1 7.13 0.005 . 3 . . . . 88 TYR HD1 . 6885 1
540 . 1 1 80 80 TYR HE1 H 1 6.62 0.005 . 3 . . . . 88 TYR HE1 . 6885 1
541 . 1 1 80 80 TYR N N 15 130.81 0.02 . 1 . . . . 88 TYR N . 6885 1
542 . 1 1 81 81 ALA H H 1 9.54 0.005 . 1 . . . . 89 ALA H . 6885 1
543 . 1 1 81 81 ALA HA H 1 5.58 0.005 . 1 . . . . 89 ALA HA . 6885 1
544 . 1 1 81 81 ALA HB1 H 1 1.01 0.005 . 1 . . . . 89 ALA HB . 6885 1
545 . 1 1 81 81 ALA HB2 H 1 1.01 0.005 . 1 . . . . 89 ALA HB . 6885 1
546 . 1 1 81 81 ALA HB3 H 1 1.01 0.005 . 1 . . . . 89 ALA HB . 6885 1
547 . 1 1 81 81 ALA N N 15 123.03 0.02 . 1 . . . . 89 ALA N . 6885 1
548 . 1 1 82 82 CYS H H 1 8.63 0.005 . 1 . . . . 90 CYS H . 6885 1
549 . 1 1 82 82 CYS HA H 1 4.42 0.005 . 1 . . . . 90 CYS HA . 6885 1
550 . 1 1 82 82 CYS HB2 H 1 1.98 0.005 . 2 . . . . 90 CYS HB2 . 6885 1
551 . 1 1 82 82 CYS HB3 H 1 1.44 0.005 . 2 . . . . 90 CYS HB3 . 6885 1
552 . 1 1 82 82 CYS N N 15 118.94 0.02 . 1 . . . . 90 CYS N . 6885 1
553 . 1 1 83 83 VAL H H 1 9.01 0.005 . 1 . . . . 91 VAL H . 6885 1
554 . 1 1 83 83 VAL HA H 1 4.77 0.005 . 1 . . . . 91 VAL HA . 6885 1
555 . 1 1 83 83 VAL HB H 1 1.81 0.005 . 1 . . . . 91 VAL HB . 6885 1
556 . 1 1 83 83 VAL HG11 H 1 0.72 0.005 . 2 . . . . 91 VAL HG1 . 6885 1
557 . 1 1 83 83 VAL HG12 H 1 0.72 0.005 . 2 . . . . 91 VAL HG1 . 6885 1
558 . 1 1 83 83 VAL HG13 H 1 0.72 0.005 . 2 . . . . 91 VAL HG1 . 6885 1
559 . 1 1 83 83 VAL N N 15 128 0.02 . 1 . . . . 91 VAL N . 6885 1
560 . 1 1 84 84 THR H H 1 9.3 0.005 . 1 . . . . 92 THR H . 6885 1
561 . 1 1 84 84 THR HA H 1 5.2 0.005 . 1 . . . . 92 THR HA . 6885 1
562 . 1 1 84 84 THR HG21 H 1 1.15 0.005 . 1 . . . . 92 THR HG2 . 6885 1
563 . 1 1 84 84 THR HG22 H 1 1.15 0.005 . 1 . . . . 92 THR HG2 . 6885 1
564 . 1 1 84 84 THR HG23 H 1 1.15 0.005 . 1 . . . . 92 THR HG2 . 6885 1
565 . 1 1 84 84 THR N N 15 120.16 0.02 . 1 . . . . 92 THR N . 6885 1
566 . 1 1 85 85 SER H H 1 8.31 0.005 . . . . . . 93 SER H . 6885 1
567 . 1 1 85 85 SER HA H 1 5.02 0.005 . . . . . . 93 SER HA . 6885 1
568 . 1 1 85 85 SER HB2 H 1 3.70 0.005 . . . . . . 93 SER HB2 . 6885 1
569 . 1 1 85 85 SER HB3 H 1 3.76 0.005 . . . . . . 93 SER HB3 . 6885 1
570 . 1 1 85 85 SER N N 15 115.62 0.02 . . . . . . 93 SER N . 6885 1
571 . 1 1 86 86 SER H H 1 8.5 0.005 . . . . . . 94 SER H . 6885 1
572 . 1 1 86 86 SER HA H 1 4.95 0.005 . . . . . . 94 SER HA . 6885 1
573 . 1 1 86 86 SER N N 15 122.95 0.02 . . . . . . 94 SER N . 6885 1
574 . 1 1 87 87 PRO HA H 1 4.41 0.005 . 1 . . . . 95 PRO HA . 6885 1
575 . 1 1 87 87 PRO HB2 H 1 2.43 0.005 . 2 . . . . 95 PRO HB2 . 6885 1
576 . 1 1 87 87 PRO HB3 H 1 1.94 0.005 . 2 . . . . 95 PRO HB3 . 6885 1
577 . 1 1 87 87 PRO HG2 H 1 2.19 0.005 . 2 . . . . 95 PRO HG2 . 6885 1
578 . 1 1 87 87 PRO HD2 H 1 3.85 0.005 . 2 . . . . 95 PRO HD2 . 6885 1
579 . 1 1 88 88 SER H H 1 7.85 0.005 . 1 . . . . 96 SER H . 6885 1
580 . 1 1 88 88 SER HA H 1 4.45 0.005 . 1 . . . . 96 SER HA . 6885 1
581 . 1 1 88 88 SER HB2 H 1 3.88 0.005 . 2 . . . . 96 SER HB2 . 6885 1
582 . 1 1 88 88 SER HB3 H 1 3.76 0.005 . 2 . . . . 96 SER HB3 . 6885 1
583 . 1 1 88 88 SER N N 15 109.49 0.02 . 1 . . . . 96 SER N . 6885 1
584 . 1 1 89 89 GLY H H 1 7.65 0.005 . 1 . . . . 97 GLY H . 6885 1
585 . 1 1 89 89 GLY HA2 H 1 4.54 0.005 . 2 . . . . 97 GLY HA2 . 6885 1
586 . 1 1 89 89 GLY HA3 H 1 3.81 0.005 . 2 . . . . 97 GLY HA3 . 6885 1
587 . 1 1 89 89 GLY N N 15 110.57 0.02 . 1 . . . . 97 GLY N . 6885 1
588 . 1 1 90 90 SER H H 1 8.42 0.005 . 1 . . . . 98 SER H . 6885 1
589 . 1 1 90 90 SER HA H 1 5.24 0.005 . 1 . . . . 98 SER HA . 6885 1
590 . 1 1 90 90 SER HB2 H 1 3.62 0.005 . 2 . . . . 98 SER HB2 . 6885 1
591 . 1 1 90 90 SER HB3 H 1 3.79 0.005 . 2 . . . . 98 SER HB3 . 6885 1
592 . 1 1 90 90 SER N N 15 116.23 0.02 . 1 . . . . 98 SER N . 6885 1
593 . 1 1 91 91 ASP H H 1 8.33 0.005 . 1 . . . . 99 ASP H . 6885 1
594 . 1 1 91 91 ASP HA H 1 4.95 0.005 . 1 . . . . 99 ASP HA . 6885 1
595 . 1 1 91 91 ASP HB2 H 1 2.48 0.005 . 2 . . . . 99 ASP HB2 . 6885 1
596 . 1 1 91 91 ASP HB3 H 1 2.39 0.005 . 2 . . . . 99 ASP HB3 . 6885 1
597 . 1 1 91 91 ASP N N 15 123.23 0.02 . 1 . . . . 99 ASP N . 6885 1
598 . 1 1 92 92 THR H H 1 8.29 0.005 . 1 . . . . 100 THR H . 6885 1
599 . 1 1 92 92 THR HA H 1 5.19 0.005 . 1 . . . . 100 THR HA . 6885 1
600 . 1 1 92 92 THR HB H 1 3.56 0.005 . 1 . . . . 100 THR HB . 6885 1
601 . 1 1 92 92 THR HG21 H 1 0.33 0.005 . 1 . . . . 100 THR HG2 . 6885 1
602 . 1 1 92 92 THR HG22 H 1 0.33 0.005 . 1 . . . . 100 THR HG2 . 6885 1
603 . 1 1 92 92 THR HG23 H 1 0.33 0.005 . 1 . . . . 100 THR HG2 . 6885 1
604 . 1 1 92 92 THR N N 15 118.38 0.02 . 1 . . . . 100 THR N . 6885 1
605 . 1 1 93 93 THR H H 1 8.45 0.005 . 1 . . . . 101 THR H . 6885 1
606 . 1 1 93 93 THR HA H 1 4.3 0.005 . 1 . . . . 101 THR HA . 6885 1
607 . 1 1 93 93 THR HB H 1 3.90 0.005 . 1 . . . . 101 THR HB . 6885 1
608 . 1 1 93 93 THR HG21 H 1 0.86 0.005 . 1 . . . . 101 THR HG2 . 6885 1
609 . 1 1 93 93 THR HG22 H 1 0.86 0.005 . 1 . . . . 101 THR HG2 . 6885 1
610 . 1 1 93 93 THR HG23 H 1 0.86 0.005 . 1 . . . . 101 THR HG2 . 6885 1
611 . 1 1 93 93 THR N N 15 123.27 0.02 . 1 . . . . 101 THR N . 6885 1
612 . 1 1 94 94 TYR H H 1 8.54 0.005 . 1 . . . . 102 TYR H . 6885 1
613 . 1 1 94 94 TYR HA H 1 5.3 0.005 . 1 . . . . 102 TYR HA . 6885 1
614 . 1 1 94 94 TYR HB2 H 1 2.85 0.005 . 2 . . . . 102 TYR HB2 . 6885 1
615 . 1 1 94 94 TYR HD1 H 1 6.98 0.005 . 3 . . . . 102 TYR HD1 . 6885 1
616 . 1 1 94 94 TYR HE1 H 1 6.55 0.005 . 3 . . . . 102 TYR HE1 . 6885 1
617 . 1 1 94 94 TYR N N 15 123.44 0.02 . 1 . . . . 102 TYR N . 6885 1
618 . 1 1 95 95 PHE H H 1 9.63 0.005 . 1 . . . . 103 PHE H . 6885 1
619 . 1 1 95 95 PHE HA H 1 5.31 0.005 . 1 . . . . 103 PHE HA . 6885 1
620 . 1 1 95 95 PHE HB2 H 1 3.06 0.005 . 2 . . . . 103 PHE HB2 . 6885 1
621 . 1 1 95 95 PHE HB3 H 1 2.80 0.005 . 2 . . . . 103 PHE HB3 . 6885 1
622 . 1 1 95 95 PHE HD1 H 1 7.14 0.005 . 3 . . . . 103 PHE HD1 . 6885 1
623 . 1 1 95 95 PHE HE1 H 1 7.31 0.005 . 3 . . . . 103 PHE HE1 . 6885 1
624 . 1 1 95 95 PHE HZ H 1 7.43 0.005 . 1 . . . . 103 PHE HZ . 6885 1
625 . 1 1 95 95 PHE N N 15 118.96 0.02 . 1 . . . . 103 PHE N . 6885 1
626 . 1 1 96 96 SER H H 1 9.38 0.005 . 1 . . . . 104 SER H . 6885 1
627 . 1 1 96 96 SER HA H 1 5.08 0.005 . 1 . . . . 104 SER HA . 6885 1
628 . 1 1 96 96 SER HB2 H 1 3.96 0.005 . 2 . . . . 104 SER HB2 . 6885 1
629 . 1 1 96 96 SER HB3 H 1 3.61 0.005 . 2 . . . . 104 SER HB3 . 6885 1
630 . 1 1 96 96 SER N N 15 120.69 0.02 . 1 . . . . 104 SER N . 6885 1
631 . 1 1 97 97 VAL H H 1 9.19 0.005 . 1 . . . . 105 VAL H . 6885 1
632 . 1 1 97 97 VAL HA H 1 4.63 0.005 . 1 . . . . 105 VAL HA . 6885 1
633 . 1 1 97 97 VAL HB H 1 2.51 0.005 . 1 . . . . 105 VAL HB . 6885 1
634 . 1 1 97 97 VAL HG11 H 1 0.76 0.005 . 2 . . . . 105 VAL HG1 . 6885 1
635 . 1 1 97 97 VAL HG12 H 1 0.76 0.005 . 2 . . . . 105 VAL HG1 . 6885 1
636 . 1 1 97 97 VAL HG13 H 1 0.76 0.005 . 2 . . . . 105 VAL HG1 . 6885 1
637 . 1 1 97 97 VAL HG21 H 1 0.82 0.005 . 2 . . . . 105 VAL HG2 . 6885 1
638 . 1 1 97 97 VAL HG22 H 1 0.82 0.005 . 2 . . . . 105 VAL HG2 . 6885 1
639 . 1 1 97 97 VAL HG23 H 1 0.82 0.005 . 2 . . . . 105 VAL HG2 . 6885 1
640 . 1 1 97 97 VAL N N 15 129.19 0.02 . 1 . . . . 105 VAL N . 6885 1
641 . 1 1 98 98 ASN H H 1 8.85 0.005 . 1 . . . . 106 ASN H . 6885 1
642 . 1 1 98 98 ASN HA H 1 5 0.005 . 1 . . . . 106 ASN HA . 6885 1
643 . 1 1 98 98 ASN HB2 H 1 2.80 0.005 . 2 . . . . 106 ASN HB2 . 6885 1
644 . 1 1 98 98 ASN HB3 H 1 2.70 0.005 . 2 . . . . 106 ASN HB3 . 6885 1
645 . 1 1 98 98 ASN HD21 H 1 7.38 0.005 . 2 . . . . 106 ASN HD21 . 6885 1
646 . 1 1 98 98 ASN HD22 H 1 6.81 0.005 . 2 . . . . 106 ASN HD22 . 6885 1
647 . 1 1 98 98 ASN N N 15 128.65 0.02 . 1 . . . . 106 ASN N . 6885 1
648 . 1 1 98 98 ASN ND2 N 15 111.15 0.02 . 1 . . . . 106 ASN ND2 . 6885 1
649 . 1 1 99 99 VAL H H 1 8.45 0.005 . 1 . . . . 107 VAL H . 6885 1
650 . 1 1 99 99 VAL HA H 1 4.79 0.005 . 1 . . . . 107 VAL HA . 6885 1
651 . 1 1 99 99 VAL HB H 1 1.93 0.005 . 1 . . . . 107 VAL HB . 6885 1
652 . 1 1 99 99 VAL HG11 H 1 0.31 0.005 . 2 . . . . 107 VAL HG1 . 6885 1
653 . 1 1 99 99 VAL HG12 H 1 0.31 0.005 . 2 . . . . 107 VAL HG1 . 6885 1
654 . 1 1 99 99 VAL HG13 H 1 0.31 0.005 . 2 . . . . 107 VAL HG1 . 6885 1
655 . 1 1 99 99 VAL HG21 H 1 0.60 0.005 . 2 . . . . 107 VAL HG2 . 6885 1
656 . 1 1 99 99 VAL HG22 H 1 0.60 0.005 . 2 . . . . 107 VAL HG2 . 6885 1
657 . 1 1 99 99 VAL HG23 H 1 0.60 0.005 . 2 . . . . 107 VAL HG2 . 6885 1
658 . 1 1 99 99 VAL N N 15 126.87 0.02 . 1 . . . . 107 VAL N . 6885 1
659 . 1 1 100 100 SER H H 1 8.25 0.005 . 1 . . . . 108 SER H . 6885 1
660 . 1 1 100 100 SER HA H 1 4.53 0.005 . 1 . . . . 108 SER HA . 6885 1
661 . 1 1 100 100 SER HB2 H 1 3.79 0.005 . 2 . . . . 108 SER HB2 . 6885 1
662 . 1 1 100 100 SER HB3 H 1 3.51 0.005 . 2 . . . . 108 SER HB3 . 6885 1
663 . 1 1 100 100 SER N N 15 119.07 0.02 . 1 . . . . 108 SER N . 6885 1
664 . 1 1 101 101 ASP H H 1 8.54 0.005 . 1 . . . . 109 ASP H . 6885 1
665 . 1 1 101 101 ASP HA H 1 4.56 0.005 . 1 . . . . 109 ASP HA . 6885 1
666 . 1 1 101 101 ASP HB2 H 1 2.64 0.005 . 2 . . . . 109 ASP HB2 . 6885 1
667 . 1 1 101 101 ASP HB3 H 1 2.54 0.005 . 2 . . . . 109 ASP HB3 . 6885 1
668 . 1 1 101 101 ASP N N 15 123.69 0.02 . 1 . . . . 109 ASP N . 6885 1
669 . 1 1 102 102 ALA H H 1 8.23 0.005 . 1 . . . . 110 ALA H . 6885 1
670 . 1 1 102 102 ALA HA H 1 4.26 0.005 . 1 . . . . 110 ALA HA . 6885 1
671 . 1 1 102 102 ALA HB1 H 1 1.26 0.005 . 1 . . . . 110 ALA HB . 6885 1
672 . 1 1 102 102 ALA HB2 H 1 1.26 0.005 . 1 . . . . 110 ALA HB . 6885 1
673 . 1 1 102 102 ALA HB3 H 1 1.26 0.005 . 1 . . . . 110 ALA HB . 6885 1
674 . 1 1 102 102 ALA N N 15 123.38 0.02 . 1 . . . . 110 ALA N . 6885 1
675 . 1 1 103 103 LEU H H 1 8.22 0.005 . 1 . . . . 111 LEU H . 6885 1
676 . 1 1 103 103 LEU HA H 1 4.54 0.005 . 1 . . . . 111 LEU HA . 6885 1
677 . 1 1 103 103 LEU HB2 H 1 1.57 0.005 . 2 . . . . 111 LEU HB2 . 6885 1
678 . 1 1 103 103 LEU HB3 H 1 1.52 0.005 . 2 . . . . 111 LEU HB3 . 6885 1
679 . 1 1 103 103 LEU HG H 1 1.66 0.005 . 1 . . . . 111 LEU HG . 6885 1
680 . 1 1 103 103 LEU HD11 H 1 0.88 0.005 . 2 . . . . 111 LEU HD1 . 6885 1
681 . 1 1 103 103 LEU HD12 H 1 0.88 0.005 . 2 . . . . 111 LEU HD1 . 6885 1
682 . 1 1 103 103 LEU HD13 H 1 0.88 0.005 . 2 . . . . 111 LEU HD1 . 6885 1
683 . 1 1 103 103 LEU N N 15 123.11 0.02 . 1 . . . . 111 LEU N . 6885 1
684 . 1 1 104 104 PRO HA H 1 4.43 0.005 . 1 . . . . 112 PRO HA . 6885 1
685 . 1 1 104 104 PRO HB2 H 1 1.90 0.005 . 2 . . . . 112 PRO HB2 . 6885 1
686 . 1 1 104 104 PRO HB3 H 1 2.28 0.005 . 2 . . . . 112 PRO HB3 . 6885 1
687 . 1 1 105 105 SER H H 1 8.54 0.005 . 1 . . . . 113 SER H . 6885 1
688 . 1 1 105 105 SER HA H 1 4.61 0.005 . 1 . . . . 113 SER HA . 6885 1
689 . 1 1 105 105 SER HB2 H 1 3.94 0.005 . 2 . . . . 113 SER HB2 . 6885 1
690 . 1 1 105 105 SER HB3 H 1 3.80 0.005 . 2 . . . . 113 SER HB3 . 6885 1
691 . 1 1 105 105 SER N N 15 116.39 0.02 . 1 . . . . 113 SER N . 6885 1
692 . 1 1 106 106 SER H H 1 8.31 0.005 . 1 . . . . 114 SER H . 6885 1
693 . 1 1 106 106 SER HA H 1 4.48 0.005 . 1 . . . . 114 SER HA . 6885 1
694 . 1 1 106 106 SER HB2 H 1 3.83 0.005 . 2 . . . . 114 SER HB2 . 6885 1
695 . 1 1 106 106 SER HB3 H 1 3.86 0.005 . 2 . . . . 114 SER HB3 . 6885 1
696 . 1 1 106 106 SER N N 15 118.35 0.02 . 1 . . . . 114 SER N . 6885 1
697 . 1 1 107 107 GLU H H 1 8.1 0.005 . 1 . . . . 115 GLU H . 6885 1
698 . 1 1 107 107 GLU HA H 1 4.14 0.005 . 1 . . . . 115 GLU HA . 6885 1
699 . 1 1 107 107 GLU HB2 H 1 2.04 0.005 . 2 . . . . 115 GLU HB2 . 6885 1
700 . 1 1 107 107 GLU HB3 H 1 1.88 0.005 . 2 . . . . 115 GLU HB3 . 6885 1
701 . 1 1 107 107 GLU HG2 H 1 2.20 0.005 . 2 . . . . 115 GLU HG2 . 6885 1
702 . 1 1 107 107 GLU N N 15 127.79 0.02 . 1 . . . . 115 GLU N . 6885 1
stop_
save_