###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
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 16577
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 16577 1
2 '3D CBCA(CO)NH' . . . 16577 1
3 '3D HNCO' . . . 16577 1
4 '3D HNCACB' . . . 16577 1
5 '3D HNCA' . . . 16577 1
6 '3D HBHA(CO)NH' . . . 16577 1
7 '3D 1H-15N NOESY' . . . 16577 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 3 . 3 3 3 HIS HA H 1 4.680 0.000 . 1 . . . . . 3 H HA . 16577 1
2 . 3 . 3 3 3 HIS HB2 H 1 3.156 0.000 . 2 . . . . . 3 H HB2 . 16577 1
3 . 3 . 3 3 3 HIS C C 13 174.771 0.000 . 1 . . . . . 3 H C . 16577 1
4 . 3 . 3 3 3 HIS CA C 13 55.866 0.037 . 1 . . . . . 3 H CA . 16577 1
5 . 3 . 3 3 3 HIS CB C 13 29.790 0.000 . 1 . . . . . 3 H CB . 16577 1
6 . 3 . 3 4 4 MET H H 1 8.341 0.003 . 1 . . . . . 4 M HN . 16577 1
7 . 3 . 3 4 4 MET C C 13 175.951 0.000 . 1 . . . . . 4 M C . 16577 1
8 . 3 . 3 4 4 MET CA C 13 55.919 0.131 . 1 . . . . . 4 M CA . 16577 1
9 . 3 . 3 4 4 MET CB C 13 32.670 0.231 . 1 . . . . . 4 M CB . 16577 1
10 . 3 . 3 4 4 MET N N 15 121.938 0.033 . 1 . . . . . 4 M N . 16577 1
11 . 3 . 3 5 5 LEU H H 1 8.300 0.003 . 1 . . . . . 5 L HN . 16577 1
12 . 3 . 3 5 5 LEU HA H 1 4.329 0.000 . 1 . . . . . 5 L HA . 16577 1
13 . 3 . 3 5 5 LEU HB2 H 1 1.595 0.000 . 2 . . . . . 5 L HB2 . 16577 1
14 . 3 . 3 5 5 LEU C C 13 177.221 0.000 . 1 . . . . . 5 L C . 16577 1
15 . 3 . 3 5 5 LEU CA C 13 55.453 0.159 . 1 . . . . . 5 L CA . 16577 1
16 . 3 . 3 5 5 LEU CB C 13 42.083 0.256 . 1 . . . . . 5 L CB . 16577 1
17 . 3 . 3 5 5 LEU N N 15 123.735 0.031 . 1 . . . . . 5 L N . 16577 1
18 . 3 . 3 6 6 GLU H H 1 8.306 0.004 . 1 . . . . . 6 E HN . 16577 1
19 . 3 . 3 6 6 GLU HA H 1 4.274 0.000 . 1 . . . . . 6 E HA . 16577 1
20 . 3 . 3 6 6 GLU HB2 H 1 2.275 0.000 . 2 . . . . . 6 E HB2 . 16577 1
21 . 3 . 3 6 6 GLU HB3 H 1 1.997 0.000 . 2 . . . . . 6 E HB3 . 16577 1
22 . 3 . 3 6 6 GLU C C 13 176.841 0.000 . 1 . . . . . 6 E C . 16577 1
23 . 3 . 3 6 6 GLU CA C 13 56.832 0.110 . 1 . . . . . 6 E CA . 16577 1
24 . 3 . 3 6 6 GLU CB C 13 30.142 0.279 . 1 . . . . . 6 E CB . 16577 1
25 . 3 . 3 6 6 GLU N N 15 121.823 0.161 . 1 . . . . . 6 E N . 16577 1
26 . 3 . 3 7 7 GLY H H 1 8.369 0.005 . 1 . . . . . 7 G HN . 16577 1
27 . 3 . 3 7 7 GLY HA2 H 1 3.934 0.014 . 2 . . . . . 7 G HA . 16577 1
28 . 3 . 3 7 7 GLY HA3 H 1 3.934 0.014 . 2 . . . . . 7 G HA . 16577 1
29 . 3 . 3 7 7 GLY C C 13 173.812 0.000 . 1 . . . . . 7 G C . 16577 1
30 . 3 . 3 7 7 GLY CA C 13 45.331 0.049 . 1 . . . . . 7 G CA . 16577 1
31 . 3 . 3 7 7 GLY N N 15 110.256 0.133 . 1 . . . . . 7 G N . 16577 1
32 . 3 . 3 8 8 ARG H H 1 7.927 0.004 . 1 . . . . . 8 R HN . 16577 1
33 . 3 . 3 8 8 ARG HA H 1 4.308 0.000 . 1 . . . . . 8 R HA . 16577 1
34 . 3 . 3 8 8 ARG HB2 H 1 1.737 0.000 . 2 . . . . . 8 R HB2 . 16577 1
35 . 3 . 3 8 8 ARG C C 13 176.029 0.000 . 1 . . . . . 8 R C . 16577 1
36 . 3 . 3 8 8 ARG CA C 13 55.813 0.011 . 1 . . . . . 8 R CA . 16577 1
37 . 3 . 3 8 8 ARG CB C 13 31.287 0.041 . 1 . . . . . 8 R CB . 16577 1
38 . 3 . 3 8 8 ARG N N 15 120.802 0.092 . 1 . . . . . 8 R N . 16577 1
39 . 3 . 3 9 9 LYS H H 1 8.630 0.002 . 1 . . . . . 9 K HN . 16577 1
40 . 3 . 3 9 9 LYS C C 13 176.070 0.000 . 1 . . . . . 9 K C . 16577 1
41 . 3 . 3 9 9 LYS CA C 13 56.041 0.108 . 1 . . . . . 9 K CA . 16577 1
42 . 3 . 3 9 9 LYS CB C 13 33.330 0.206 . 1 . . . . . 9 K CB . 16577 1
43 . 3 . 3 9 9 LYS N N 15 125.308 0.030 . 1 . . . . . 9 K N . 16577 1
44 . 3 . 3 10 10 LYS H H 1 8.334 0.002 . 1 . . . . . 10 K HN . 16577 1
45 . 3 . 3 10 10 LYS C C 13 176.442 0.000 . 1 . . . . . 10 K C . 16577 1
46 . 3 . 3 10 10 LYS CA C 13 56.245 0.074 . 1 . . . . . 10 K CA . 16577 1
47 . 3 . 3 10 10 LYS CB C 13 33.028 0.305 . 1 . . . . . 10 K CB . 16577 1
48 . 3 . 3 10 10 LYS N N 15 124.642 0.050 . 1 . . . . . 10 K N . 16577 1
49 . 3 . 3 11 11 ARG H H 1 8.278 0.003 . 1 . . . . . 11 R HN . 16577 1
50 . 3 . 3 11 11 ARG C C 13 173.231 0.000 . 1 . . . . . 11 R C . 16577 1
51 . 3 . 3 11 11 ARG CA C 13 56.085 0.110 . 1 . . . . . 11 R CA . 16577 1
52 . 3 . 3 11 11 ARG CB C 13 30.613 0.081 . 1 . . . . . 11 R CB . 16577 1
53 . 3 . 3 11 11 ARG N N 15 121.241 0.040 . 1 . . . . . 11 R N . 16577 1
54 . 3 . 3 12 12 VAL H H 1 7.433 0.012 . 1 . . . . . 12 V HN . 16577 1
55 . 3 . 3 12 12 VAL CA C 13 58.721 0.173 . 1 . . . . . 12 V CA . 16577 1
56 . 3 . 3 12 12 VAL CB C 13 34.047 0.000 . 1 . . . . . 12 V CB . 16577 1
57 . 3 . 3 12 12 VAL N N 15 121.652 0.040 . 1 . . . . . 12 V N . 16577 1
58 . 3 . 3 13 13 PRO C C 13 177.109 0.000 . 1 . . . . . 13 P C . 16577 1
59 . 3 . 3 13 13 PRO CA C 13 61.750 0.090 . 1 . . . . . 13 P CA . 16577 1
60 . 3 . 3 13 13 PRO CB C 13 32.344 0.000 . 1 . . . . . 13 P CB . 16577 1
61 . 3 . 3 14 14 TYR H H 1 9.806 0.003 . 1 . . . . . 14 Y HN . 16577 1
62 . 3 . 3 14 14 TYR HD1 H 1 6.961 0.001 . 3 . . . . . 14 Y HD1 . 16577 1
63 . 3 . 3 14 14 TYR C C 13 177.306 0.000 . 1 . . . . . 14 Y C . 16577 1
64 . 3 . 3 14 14 TYR CA C 13 53.802 0.048 . 1 . . . . . 14 Y CA . 16577 1
65 . 3 . 3 14 14 TYR CB C 13 34.467 0.000 . 1 . . . . . 14 Y CB . 16577 1
66 . 3 . 3 14 14 TYR N N 15 126.633 0.039 . 1 . . . . . 14 Y N . 16577 1
67 . 3 . 3 15 15 THR H H 1 9.123 0.008 . 1 . . . . . 15 T HN . 16577 1
68 . 3 . 3 15 15 THR C C 13 175.626 0.000 . 1 . . . . . 15 T C . 16577 1
69 . 3 . 3 15 15 THR CA C 13 60.871 0.067 . 1 . . . . . 15 T CA . 16577 1
70 . 3 . 3 15 15 THR CB C 13 70.819 0.055 . 1 . . . . . 15 T CB . 16577 1
71 . 3 . 3 15 15 THR N N 15 112.568 0.098 . 1 . . . . . 15 T N . 16577 1
72 . 3 . 3 16 16 LYS H H 1 8.833 0.008 . 1 . . . . . 16 K HN . 16577 1
73 . 3 . 3 16 16 LYS HA H 1 4.039 0.000 . 1 . . . . . 16 K HA . 16577 1
74 . 3 . 3 16 16 LYS C C 13 179.619 0.000 . 1 . . . . . 16 K C . 16577 1
75 . 3 . 3 16 16 LYS CA C 13 59.761 0.146 . 1 . . . . . 16 K CA . 16577 1
76 . 3 . 3 16 16 LYS CB C 13 31.518 0.260 . 1 . . . . . 16 K CB . 16577 1
77 . 3 . 3 16 16 LYS N N 15 119.593 0.036 . 1 . . . . . 16 K N . 16577 1
78 . 3 . 3 17 17 VAL H H 1 7.633 0.006 . 1 . . . . . 17 V HN . 16577 1
79 . 3 . 3 17 17 VAL HA H 1 3.778 0.007 . 1 . . . . . 17 V HA . 16577 1
80 . 3 . 3 17 17 VAL HB H 1 1.963 0.000 . 1 . . . . . 17 V HB . 16577 1
81 . 3 . 3 17 17 VAL C C 13 178.514 0.000 . 1 . . . . . 17 V C . 16577 1
82 . 3 . 3 17 17 VAL CA C 13 65.817 0.077 . 1 . . . . . 17 V CA . 16577 1
83 . 3 . 3 17 17 VAL CB C 13 31.634 0.425 . 1 . . . . . 17 V CB . 16577 1
84 . 3 . 3 17 17 VAL N N 15 117.079 0.121 . 1 . . . . . 17 V N . 16577 1
85 . 3 . 3 18 18 GLN H H 1 7.460 0.008 . 1 . . . . . 18 Q HN . 16577 1
86 . 3 . 3 18 18 GLN C C 13 177.806 0.000 . 1 . . . . . 18 Q C . 16577 1
87 . 3 . 3 18 18 GLN CA C 13 59.645 0.115 . 1 . . . . . 18 Q CA . 16577 1
88 . 3 . 3 18 18 GLN CB C 13 28.431 0.351 . 1 . . . . . 18 Q CB . 16577 1
89 . 3 . 3 18 18 GLN N N 15 121.165 0.033 . 1 . . . . . 18 Q N . 16577 1
90 . 3 . 3 19 19 LEU H H 1 8.557 0.005 . 1 . . . . . 19 L HN . 16577 1
91 . 3 . 3 19 19 LEU C C 13 178.555 0.000 . 1 . . . . . 19 L C . 16577 1
92 . 3 . 3 19 19 LEU CA C 13 57.644 0.011 . 1 . . . . . 19 L CA . 16577 1
93 . 3 . 3 19 19 LEU CB C 13 41.781 0.000 . 1 . . . . . 19 L CB . 16577 1
94 . 3 . 3 19 19 LEU N N 15 117.135 0.085 . 1 . . . . . 19 L N . 16577 1
95 . 3 . 3 20 20 LYS H H 1 8.061 0.006 . 1 . . . . . 20 K HN . 16577 1
96 . 3 . 3 20 20 LYS C C 13 179.405 0.000 . 1 . . . . . 20 K C . 16577 1
97 . 3 . 3 20 20 LYS CA C 13 59.635 0.048 . 1 . . . . . 20 K CA . 16577 1
98 . 3 . 3 20 20 LYS CB C 13 32.046 0.375 . 1 . . . . . 20 K CB . 16577 1
99 . 3 . 3 20 20 LYS N N 15 118.807 0.052 . 1 . . . . . 20 K N . 16577 1
100 . 3 . 3 21 21 GLU H H 1 7.011 0.009 . 1 . . . . . 21 E HN . 16577 1
101 . 3 . 3 21 21 GLU HA H 1 4.150 0.000 . 1 . . . . . 21 E HA . 16577 1
102 . 3 . 3 21 21 GLU C C 13 178.465 0.000 . 1 . . . . . 21 E C . 16577 1
103 . 3 . 3 21 21 GLU CA C 13 58.456 0.092 . 1 . . . . . 21 E CA . 16577 1
104 . 3 . 3 21 21 GLU CB C 13 28.966 0.091 . 1 . . . . . 21 E CB . 16577 1
105 . 3 . 3 21 21 GLU N N 15 118.492 0.115 . 1 . . . . . 21 E N . 16577 1
106 . 3 . 3 22 22 LEU H H 1 7.522 0.010 . 1 . . . . . 22 L HN . 16577 1
107 . 3 . 3 22 22 LEU HA H 1 3.804 0.000 . 1 . . . . . 22 L HA . 16577 1
108 . 3 . 3 22 22 LEU HB2 H 1 -1.015 0.001 . 2 . . . . . 22 L HB2 . 16577 1
109 . 3 . 3 22 22 LEU HD21 H 1 -0.294 0.006 . 2 . . . . . 22 L HD2 . 16577 1
110 . 3 . 3 22 22 LEU HD22 H 1 -0.294 0.006 . 2 . . . . . 22 L HD2 . 16577 1
111 . 3 . 3 22 22 LEU HD23 H 1 -0.294 0.006 . 2 . . . . . 22 L HD2 . 16577 1
112 . 3 . 3 22 22 LEU C C 13 177.941 0.000 . 1 . . . . . 22 L C . 16577 1
113 . 3 . 3 22 22 LEU CA C 13 58.557 0.104 . 1 . . . . . 22 L CA . 16577 1
114 . 3 . 3 22 22 LEU CB C 13 37.384 0.000 . 1 . . . . . 22 L CB . 16577 1
115 . 3 . 3 22 22 LEU CD2 C 13 23.518 0.007 . 2 . . . . . 22 L CD2 . 16577 1
116 . 3 . 3 22 22 LEU N N 15 121.133 0.039 . 1 . . . . . 22 L N . 16577 1
117 . 3 . 3 23 23 GLU H H 1 8.556 0.005 . 1 . . . . . 23 E HN . 16577 1
118 . 3 . 3 23 23 GLU C C 13 180.273 0.000 . 1 . . . . . 23 E C . 16577 1
119 . 3 . 3 23 23 GLU CA C 13 58.698 0.182 . 1 . . . . . 23 E CA . 16577 1
120 . 3 . 3 23 23 GLU CB C 13 28.606 0.000 . 1 . . . . . 23 E CB . 16577 1
121 . 3 . 3 23 23 GLU N N 15 116.855 0.060 . 1 . . . . . 23 E N . 16577 1
122 . 3 . 3 24 24 ARG H H 1 7.827 0.007 . 1 . . . . . 24 R HN . 16577 1
123 . 3 . 3 24 24 ARG C C 13 179.315 0.000 . 1 . . . . . 24 R C . 16577 1
124 . 3 . 3 24 24 ARG CA C 13 59.522 0.193 . 1 . . . . . 24 R CA . 16577 1
125 . 3 . 3 24 24 ARG CB C 13 28.889 0.000 . 1 . . . . . 24 R CB . 16577 1
126 . 3 . 3 24 24 ARG N N 15 121.241 0.036 . 1 . . . . . 24 R N . 16577 1
127 . 3 . 3 25 25 GLU H H 1 7.760 0.006 . 1 . . . . . 25 E HN . 16577 1
128 . 3 . 3 25 25 GLU C C 13 179.073 0.000 . 1 . . . . . 25 E C . 16577 1
129 . 3 . 3 25 25 GLU CA C 13 58.878 0.107 . 1 . . . . . 25 E CA . 16577 1
130 . 3 . 3 25 25 GLU CB C 13 28.987 0.164 . 1 . . . . . 25 E CB . 16577 1
131 . 3 . 3 25 25 GLU N N 15 119.576 0.080 . 1 . . . . . 25 E N . 16577 1
132 . 3 . 3 26 26 TYR H H 1 8.960 0.004 . 1 . . . . . 26 Y HN . 16577 1
133 . 3 . 3 26 26 TYR C C 13 175.945 0.000 . 1 . . . . . 26 Y C . 16577 1
134 . 3 . 3 26 26 TYR CA C 13 61.396 0.074 . 1 . . . . . 26 Y CA . 16577 1
135 . 3 . 3 26 26 TYR CB C 13 37.821 0.347 . 1 . . . . . 26 Y CB . 16577 1
136 . 3 . 3 26 26 TYR N N 15 123.893 0.054 . 1 . . . . . 26 Y N . 16577 1
137 . 3 . 3 27 27 ALA H H 1 7.811 0.006 . 1 . . . . . 27 A HN . 16577 1
138 . 3 . 3 27 27 ALA HA H 1 4.046 0.018 . 1 . . . . . 27 A HA . 16577 1
139 . 3 . 3 27 27 ALA HB1 H 1 1.531 0.007 . 1 . . . . . 27 A HB . 16577 1
140 . 3 . 3 27 27 ALA HB2 H 1 1.531 0.007 . 1 . . . . . 27 A HB . 16577 1
141 . 3 . 3 27 27 ALA HB3 H 1 1.531 0.007 . 1 . . . . . 27 A HB . 16577 1
142 . 3 . 3 27 27 ALA C C 13 179.233 0.000 . 1 . . . . . 27 A C . 16577 1
143 . 3 . 3 27 27 ALA CA C 13 53.931 0.208 . 1 . . . . . 27 A CA . 16577 1
144 . 3 . 3 27 27 ALA CB C 13 17.867 0.472 . 1 . . . . . 27 A CB . 16577 1
145 . 3 . 3 27 27 ALA N N 15 116.872 0.114 . 1 . . . . . 27 A N . 16577 1
146 . 3 . 3 28 28 THR H H 1 7.564 0.007 . 1 . . . . . 28 T HN . 16577 1
147 . 3 . 3 28 28 THR HA H 1 4.209 0.006 . 1 . . . . . 28 T HA . 16577 1
148 . 3 . 3 28 28 THR HB H 1 4.427 0.000 . 1 . . . . . 28 T HB . 16577 1
149 . 3 . 3 28 28 THR HG21 H 1 1.324 0.000 . 1 . . . . . 28 T HG2 . 16577 1
150 . 3 . 3 28 28 THR HG22 H 1 1.324 0.000 . 1 . . . . . 28 T HG2 . 16577 1
151 . 3 . 3 28 28 THR HG23 H 1 1.324 0.000 . 1 . . . . . 28 T HG2 . 16577 1
152 . 3 . 3 28 28 THR C C 13 174.532 0.000 . 1 . . . . . 28 T C . 16577 1
153 . 3 . 3 28 28 THR CA C 13 64.340 0.092 . 1 . . . . . 28 T CA . 16577 1
154 . 3 . 3 28 28 THR CB C 13 69.453 0.147 . 1 . . . . . 28 T CB . 16577 1
155 . 3 . 3 28 28 THR N N 15 112.470 0.178 . 1 . . . . . 28 T N . 16577 1
156 . 3 . 3 29 29 ASN H H 1 8.078 0.006 . 1 . . . . . 29 N HN . 16577 1
157 . 3 . 3 29 29 ASN C C 13 173.115 0.000 . 1 . . . . . 29 N C . 16577 1
158 . 3 . 3 29 29 ASN CA C 13 54.045 0.122 . 1 . . . . . 29 N CA . 16577 1
159 . 3 . 3 29 29 ASN CB C 13 40.669 0.111 . 1 . . . . . 29 N CB . 16577 1
160 . 3 . 3 29 29 ASN N N 15 120.852 0.049 . 1 . . . . . 29 N N . 16577 1
161 . 3 . 3 30 30 LYS H H 1 8.056 0.006 . 1 . . . . . 30 K HN . 16577 1
162 . 3 . 3 30 30 LYS C C 13 174.401 0.000 . 1 . . . . . 30 K C . 16577 1
163 . 3 . 3 30 30 LYS CA C 13 57.412 0.065 . 1 . . . . . 30 K CA . 16577 1
164 . 3 . 3 30 30 LYS CB C 13 32.411 0.214 . 1 . . . . . 30 K CB . 16577 1
165 . 3 . 3 30 30 LYS N N 15 121.925 0.074 . 1 . . . . . 30 K N . 16577 1
166 . 3 . 3 31 31 PHE H H 1 7.820 0.008 . 1 . . . . . 31 F HN . 16577 1
167 . 3 . 3 31 31 PHE HA H 1 4.656 0.000 . 1 . . . . . 31 F HA . 16577 1
168 . 3 . 3 31 31 PHE C C 13 175.026 0.000 . 1 . . . . . 31 F C . 16577 1
169 . 3 . 3 31 31 PHE CA C 13 56.453 0.074 . 1 . . . . . 31 F CA . 16577 1
170 . 3 . 3 31 31 PHE CB C 13 40.539 0.156 . 1 . . . . . 31 F CB . 16577 1
171 . 3 . 3 31 31 PHE N N 15 116.093 0.069 . 1 . . . . . 31 F N . 16577 1
172 . 3 . 3 32 32 ILE H H 1 7.735 0.010 . 1 . . . . . 32 I HN . 16577 1
173 . 3 . 3 32 32 ILE C C 13 175.021 0.000 . 1 . . . . . 32 I C . 16577 1
174 . 3 . 3 32 32 ILE CA C 13 58.530 0.052 . 1 . . . . . 32 I CA . 16577 1
175 . 3 . 3 32 32 ILE CB C 13 40.186 0.230 . 1 . . . . . 32 I CB . 16577 1
176 . 3 . 3 32 32 ILE N N 15 119.334 0.128 . 1 . . . . . 32 I N . 16577 1
177 . 3 . 3 33 33 THR H H 1 7.113 0.038 . 1 . . . . . 33 T HN . 16577 1
178 . 3 . 3 33 33 THR HA H 1 4.446 0.000 . 1 . . . . . 33 T HA . 16577 1
179 . 3 . 3 33 33 THR HB H 1 4.663 0.008 . 1 . . . . . 33 T HB . 16577 1
180 . 3 . 3 33 33 THR HG21 H 1 1.330 0.000 . 1 . . . . . 33 T HG2 . 16577 1
181 . 3 . 3 33 33 THR HG22 H 1 1.330 0.000 . 1 . . . . . 33 T HG2 . 16577 1
182 . 3 . 3 33 33 THR HG23 H 1 1.330 0.000 . 1 . . . . . 33 T HG2 . 16577 1
183 . 3 . 3 33 33 THR C C 13 175.740 0.000 . 1 . . . . . 33 T C . 16577 1
184 . 3 . 3 33 33 THR CA C 13 60.058 0.180 . 1 . . . . . 33 T CA . 16577 1
185 . 3 . 3 33 33 THR CB C 13 71.360 0.105 . 1 . . . . . 33 T CB . 16577 1
186 . 3 . 3 33 33 THR N N 15 116.312 0.070 . 1 . . . . . 33 T N . 16577 1
187 . 3 . 3 34 34 LYS H H 1 9.554 0.010 . 1 . . . . . 34 K HN . 16577 1
188 . 3 . 3 34 34 LYS C C 13 178.016 0.000 . 1 . . . . . 34 K C . 16577 1
189 . 3 . 3 34 34 LYS CA C 13 60.448 0.125 . 1 . . . . . 34 K CA . 16577 1
190 . 3 . 3 34 34 LYS CB C 13 32.509 0.000 . 1 . . . . . 34 K CB . 16577 1
191 . 3 . 3 34 34 LYS N N 15 122.624 0.039 . 1 . . . . . 34 K N . 16577 1
192 . 3 . 3 35 35 ASP H H 1 8.608 0.008 . 1 . . . . . 35 D HN . 16577 1
193 . 3 . 3 35 35 ASP HA H 1 4.379 0.000 . 1 . . . . . 35 D HA . 16577 1
194 . 3 . 3 35 35 ASP C C 13 178.945 0.000 . 1 . . . . . 35 D C . 16577 1
195 . 3 . 3 35 35 ASP CA C 13 57.501 0.120 . 1 . . . . . 35 D CA . 16577 1
196 . 3 . 3 35 35 ASP CB C 13 40.596 0.043 . 1 . . . . . 35 D CB . 16577 1
197 . 3 . 3 35 35 ASP N N 15 118.347 0.128 . 1 . . . . . 35 D N . 16577 1
198 . 3 . 3 36 36 LYS H H 1 7.355 0.007 . 1 . . . . . 36 K HN . 16577 1
199 . 3 . 3 36 36 LYS C C 13 178.112 0.000 . 1 . . . . . 36 K C . 16577 1
200 . 3 . 3 36 36 LYS CA C 13 58.476 0.053 . 1 . . . . . 36 K CA . 16577 1
201 . 3 . 3 36 36 LYS CB C 13 32.335 0.316 . 1 . . . . . 36 K CB . 16577 1
202 . 3 . 3 36 36 LYS N N 15 120.005 0.058 . 1 . . . . . 36 K N . 16577 1
203 . 3 . 3 37 37 ARG H H 1 8.873 0.005 . 1 . . . . . 37 R HN . 16577 1
204 . 3 . 3 37 37 ARG C C 13 177.881 0.000 . 1 . . . . . 37 R C . 16577 1
205 . 3 . 3 37 37 ARG CA C 13 59.904 0.120 . 1 . . . . . 37 R CA . 16577 1
206 . 3 . 3 37 37 ARG CB C 13 30.286 0.000 . 1 . . . . . 37 R CB . 16577 1
207 . 3 . 3 37 37 ARG N N 15 120.990 0.058 . 1 . . . . . 37 R N . 16577 1
208 . 3 . 3 38 38 ARG H H 1 7.848 0.007 . 1 . . . . . 38 R HN . 16577 1
209 . 3 . 3 38 38 ARG C C 13 178.720 0.000 . 1 . . . . . 38 R C . 16577 1
210 . 3 . 3 38 38 ARG CA C 13 59.951 0.137 . 1 . . . . . 38 R CA . 16577 1
211 . 3 . 3 38 38 ARG CB C 13 29.700 0.212 . 1 . . . . . 38 R CB . 16577 1
212 . 3 . 3 38 38 ARG N N 15 119.018 0.050 . 1 . . . . . 38 R N . 16577 1
213 . 3 . 3 39 39 ARG H H 1 7.467 0.007 . 1 . . . . . 39 R HN . 16577 1
214 . 3 . 3 39 39 ARG HA H 1 4.157 0.000 . 1 . . . . . 39 R HA . 16577 1
215 . 3 . 3 39 39 ARG C C 13 178.907 0.000 . 1 . . . . . 39 R C . 16577 1
216 . 3 . 3 39 39 ARG CA C 13 59.563 0.084 . 1 . . . . . 39 R CA . 16577 1
217 . 3 . 3 39 39 ARG CB C 13 29.808 0.233 . 1 . . . . . 39 R CB . 16577 1
218 . 3 . 3 39 39 ARG N N 15 120.576 0.140 . 1 . . . . . 39 R N . 16577 1
219 . 3 . 3 40 40 ILE H H 1 8.717 0.006 . 1 . . . . . 40 I HN . 16577 1
220 . 3 . 3 40 40 ILE C C 13 180.193 0.000 . 1 . . . . . 40 I C . 16577 1
221 . 3 . 3 40 40 ILE CA C 13 64.185 0.039 . 1 . . . . . 40 I CA . 16577 1
222 . 3 . 3 40 40 ILE CB C 13 37.260 0.000 . 1 . . . . . 40 I CB . 16577 1
223 . 3 . 3 40 40 ILE N N 15 119.744 0.058 . 1 . . . . . 40 I N . 16577 1
224 . 3 . 3 41 41 SER H H 1 8.402 0.005 . 1 . . . . . 41 S HN . 16577 1
225 . 3 . 3 41 41 SER C C 13 176.218 0.000 . 1 . . . . . 41 S C . 16577 1
226 . 3 . 3 41 41 SER CA C 13 61.134 0.326 . 1 . . . . . 41 S CA . 16577 1
227 . 3 . 3 41 41 SER CB C 13 63.836 0.369 . 1 . . . . . 41 S CB . 16577 1
228 . 3 . 3 41 41 SER N N 15 119.683 0.104 . 1 . . . . . 41 S N . 16577 1
229 . 3 . 3 42 42 ALA H H 1 7.711 0.008 . 1 . . . . . 42 A HN . 16577 1
230 . 3 . 3 42 42 ALA HA H 1 4.217 0.006 . 1 . . . . . 42 A HA . 16577 1
231 . 3 . 3 42 42 ALA HB1 H 1 1.573 0.021 . 1 . . . . . 42 A HB . 16577 1
232 . 3 . 3 42 42 ALA HB2 H 1 1.573 0.021 . 1 . . . . . 42 A HB . 16577 1
233 . 3 . 3 42 42 ALA HB3 H 1 1.573 0.021 . 1 . . . . . 42 A HB . 16577 1
234 . 3 . 3 42 42 ALA C C 13 180.181 0.000 . 1 . . . . . 42 A C . 16577 1
235 . 3 . 3 42 42 ALA CA C 13 54.927 0.096 . 1 . . . . . 42 A CA . 16577 1
236 . 3 . 3 42 42 ALA CB C 13 18.054 0.186 . 1 . . . . . 42 A CB . 16577 1
237 . 3 . 3 42 42 ALA N N 15 121.985 0.151 . 1 . . . . . 42 A N . 16577 1
238 . 3 . 3 43 43 THR H H 1 7.988 0.005 . 1 . . . . . 43 T HN . 16577 1
239 . 3 . 3 43 43 THR HA H 1 4.145 0.022 . 1 . . . . . 43 T HA . 16577 1
240 . 3 . 3 43 43 THR C C 13 176.242 0.000 . 1 . . . . . 43 T C . 16577 1
241 . 3 . 3 43 43 THR CA C 13 65.295 0.071 . 1 . . . . . 43 T CA . 16577 1
242 . 3 . 3 43 43 THR CB C 13 69.381 0.152 . 1 . . . . . 43 T CB . 16577 1
243 . 3 . 3 43 43 THR N N 15 111.449 0.125 . 1 . . . . . 43 T N . 16577 1
244 . 3 . 3 44 44 THR H H 1 7.961 0.008 . 1 . . . . . 44 T HN . 16577 1
245 . 3 . 3 44 44 THR HG21 H 1 1.238 0.000 . 1 . . . . . 44 T HG2 . 16577 1
246 . 3 . 3 44 44 THR HG22 H 1 1.238 0.000 . 1 . . . . . 44 T HG2 . 16577 1
247 . 3 . 3 44 44 THR HG23 H 1 1.238 0.000 . 1 . . . . . 44 T HG2 . 16577 1
248 . 3 . 3 44 44 THR C C 13 175.813 0.000 . 1 . . . . . 44 T C . 16577 1
249 . 3 . 3 44 44 THR CA C 13 63.033 0.074 . 1 . . . . . 44 T CA . 16577 1
250 . 3 . 3 44 44 THR CB C 13 72.108 0.112 . 1 . . . . . 44 T CB . 16577 1
251 . 3 . 3 44 44 THR N N 15 108.488 0.088 . 1 . . . . . 44 T N . 16577 1
252 . 3 . 3 45 45 ASN H H 1 8.079 0.011 . 1 . . . . . 45 N HN . 16577 1
253 . 3 . 3 45 45 ASN HA H 1 4.399 0.000 . 1 . . . . . 45 N HA . 16577 1
254 . 3 . 3 45 45 ASN C C 13 174.218 0.000 . 1 . . . . . 45 N C . 16577 1
255 . 3 . 3 45 45 ASN CA C 13 55.576 0.024 . 1 . . . . . 45 N CA . 16577 1
256 . 3 . 3 45 45 ASN CB C 13 37.594 0.154 . 1 . . . . . 45 N CB . 16577 1
257 . 3 . 3 45 45 ASN N N 15 117.396 0.129 . 1 . . . . . 45 N N . 16577 1
258 . 3 . 3 46 46 LEU H H 1 7.506 0.009 . 1 . . . . . 46 L HN . 16577 1
259 . 3 . 3 46 46 LEU HA H 1 4.507 0.000 . 1 . . . . . 46 L HA . 16577 1
260 . 3 . 3 46 46 LEU C C 13 177.084 0.000 . 1 . . . . . 46 L C . 16577 1
261 . 3 . 3 46 46 LEU CA C 13 53.667 0.097 . 1 . . . . . 46 L CA . 16577 1
262 . 3 . 3 46 46 LEU CB C 13 43.743 0.201 . 1 . . . . . 46 L CB . 16577 1
263 . 3 . 3 46 46 LEU N N 15 120.277 0.153 . 1 . . . . . 46 L N . 16577 1
264 . 3 . 3 47 47 SER H H 1 9.578 0.028 . 1 . . . . . 47 S HN . 16577 1
265 . 3 . 3 47 47 SER C C 13 175.184 0.000 . 1 . . . . . 47 S C . 16577 1
266 . 3 . 3 47 47 SER CA C 13 57.553 0.137 . 1 . . . . . 47 S CA . 16577 1
267 . 3 . 3 47 47 SER CB C 13 64.866 0.069 . 1 . . . . . 47 S CB . 16577 1
268 . 3 . 3 47 47 SER N N 15 119.017 0.056 . 1 . . . . . 47 S N . 16577 1
269 . 3 . 3 48 48 GLU H H 1 9.120 0.004 . 1 . . . . . 48 E HN . 16577 1
270 . 3 . 3 48 48 GLU C C 13 178.729 0.000 . 1 . . . . . 48 E C . 16577 1
271 . 3 . 3 48 48 GLU CA C 13 61.786 0.084 . 1 . . . . . 48 E CA . 16577 1
272 . 3 . 3 48 48 GLU CB C 13 29.347 0.000 . 1 . . . . . 48 E CB . 16577 1
273 . 3 . 3 48 48 GLU N N 15 121.225 0.054 . 1 . . . . . 48 E N . 16577 1
274 . 3 . 3 49 49 ARG H H 1 8.337 0.011 . 1 . . . . . 49 R HN . 16577 1
275 . 3 . 3 49 49 ARG C C 13 178.119 0.000 . 1 . . . . . 49 R C . 16577 1
276 . 3 . 3 49 49 ARG CA C 13 59.083 0.055 . 1 . . . . . 49 R CA . 16577 1
277 . 3 . 3 49 49 ARG CB C 13 29.007 0.000 . 1 . . . . . 49 R CB . 16577 1
278 . 3 . 3 49 49 ARG N N 15 119.578 0.045 . 1 . . . . . 49 R N . 16577 1
279 . 3 . 3 50 50 GLN H H 1 8.135 0.012 . 1 . . . . . 50 Q HN . 16577 1
280 . 3 . 3 50 50 GLN C C 13 180.575 0.000 . 1 . . . . . 50 Q C . 16577 1
281 . 3 . 3 50 50 GLN CA C 13 59.789 0.040 . 1 . . . . . 50 Q CA . 16577 1
282 . 3 . 3 50 50 GLN CB C 13 29.465 0.000 . 1 . . . . . 50 Q CB . 16577 1
283 . 3 . 3 50 50 GLN N N 15 118.823 0.041 . 1 . . . . . 50 Q N . 16577 1
284 . 3 . 3 51 51 VAL H H 1 8.445 0.003 . 1 . . . . . 51 V HN . 16577 1
285 . 3 . 3 51 51 VAL C C 13 177.370 0.000 . 1 . . . . . 51 V C . 16577 1
286 . 3 . 3 51 51 VAL CA C 13 67.919 0.160 . 1 . . . . . 51 V CA . 16577 1
287 . 3 . 3 51 51 VAL CB C 13 30.543 0.000 . 1 . . . . . 51 V CB . 16577 1
288 . 3 . 3 51 51 VAL N N 15 121.699 0.042 . 1 . . . . . 51 V N . 16577 1
289 . 3 . 3 52 52 THR H H 1 8.475 0.004 . 1 . . . . . 52 T HN . 16577 1
290 . 3 . 3 52 52 THR C C 13 177.815 0.000 . 1 . . . . . 52 T C . 16577 1
291 . 3 . 3 52 52 THR CA C 13 67.831 0.468 . 1 . . . . . 52 T CA . 16577 1
292 . 3 . 3 52 52 THR CB C 13 69.778 0.000 . 1 . . . . . 52 T CB . 16577 1
293 . 3 . 3 52 52 THR N N 15 118.611 0.059 . 1 . . . . . 52 T N . 16577 1
294 . 3 . 3 53 53 ILE H H 1 8.704 0.006 . 1 . . . . . 53 I HN . 16577 1
295 . 3 . 3 53 53 ILE HA H 1 3.676 0.000 . 1 . . . . . 53 I HA . 16577 1
296 . 3 . 3 53 53 ILE C C 13 176.381 0.000 . 1 . . . . . 53 I C . 16577 1
297 . 3 . 3 53 53 ILE CA C 13 64.049 0.019 . 1 . . . . . 53 I CA . 16577 1
298 . 3 . 3 53 53 ILE CB C 13 37.605 0.162 . 1 . . . . . 53 I CB . 16577 1
299 . 3 . 3 53 53 ILE N N 15 123.775 0.046 . 1 . . . . . 53 I N . 16577 1
300 . 3 . 3 54 54 TRP H H 1 8.810 0.005 . 1 . . . . . 54 W HN . 16577 1
301 . 3 . 3 54 54 TRP HD1 H 1 7.377 0.000 . 1 . . . . . 54 W HD1 . 16577 1
302 . 3 . 3 54 54 TRP HE1 H 1 9.914 0.003 . 1 . . . . . 54 W HE1 . 16577 1
303 . 3 . 3 54 54 TRP C C 13 179.796 0.000 . 1 . . . . . 54 W C . 16577 1
304 . 3 . 3 54 54 TRP CA C 13 63.189 0.055 . 1 . . . . . 54 W CA . 16577 1
305 . 3 . 3 54 54 TRP CB C 13 27.954 0.000 . 1 . . . . . 54 W CB . 16577 1
306 . 3 . 3 54 54 TRP N N 15 123.464 0.064 . 1 . . . . . 54 W N . 16577 1
307 . 3 . 3 54 54 TRP NE1 N 15 130.176 0.020 . 1 . . . . . 54 W NE1 . 16577 1
308 . 3 . 3 55 55 PHE H H 1 8.629 0.007 . 1 . . . . . 55 F HN . 16577 1
309 . 3 . 3 55 55 PHE C C 13 176.933 0.000 . 1 . . . . . 55 F C . 16577 1
310 . 3 . 3 55 55 PHE CA C 13 63.642 0.099 . 1 . . . . . 55 F CA . 16577 1
311 . 3 . 3 55 55 PHE CB C 13 38.711 0.000 . 1 . . . . . 55 F CB . 16577 1
312 . 3 . 3 55 55 PHE N N 15 119.683 0.033 . 1 . . . . . 55 F N . 16577 1
313 . 3 . 3 56 56 GLN H H 1 7.747 0.006 . 1 . . . . . 56 Q HN . 16577 1
314 . 3 . 3 56 56 GLN C C 13 179.123 0.000 . 1 . . . . . 56 Q C . 16577 1
315 . 3 . 3 56 56 GLN CA C 13 59.750 0.175 . 1 . . . . . 56 Q CA . 16577 1
316 . 3 . 3 56 56 GLN CB C 13 28.349 0.000 . 1 . . . . . 56 Q CB . 16577 1
317 . 3 . 3 56 56 GLN N N 15 119.364 0.089 . 1 . . . . . 56 Q N . 16577 1
318 . 3 . 3 57 57 ASN H H 1 8.460 0.011 . 1 . . . . . 57 N HN . 16577 1
319 . 3 . 3 57 57 ASN C C 13 177.874 0.000 . 1 . . . . . 57 N C . 16577 1
320 . 3 . 3 57 57 ASN CA C 13 55.075 0.097 . 1 . . . . . 57 N CA . 16577 1
321 . 3 . 3 57 57 ASN CB C 13 38.805 0.065 . 1 . . . . . 57 N CB . 16577 1
322 . 3 . 3 57 57 ASN N N 15 117.795 0.047 . 1 . . . . . 57 N N . 16577 1
323 . 3 . 3 58 58 ARG H H 1 8.628 0.007 . 1 . . . . . 58 R HN . 16577 1
324 . 3 . 3 58 58 ARG HB2 H 1 -0.541 0.000 . 2 . . . . . 58 R HB2 . 16577 1
325 . 3 . 3 58 58 ARG C C 13 178.956 0.000 . 1 . . . . . 58 R C . 16577 1
326 . 3 . 3 58 58 ARG CA C 13 56.138 0.023 . 1 . . . . . 58 R CA . 16577 1
327 . 3 . 3 58 58 ARG CB C 13 27.628 0.000 . 1 . . . . . 58 R CB . 16577 1
328 . 3 . 3 58 58 ARG N N 15 128.105 0.094 . 1 . . . . . 58 R N . 16577 1
329 . 3 . 3 59 59 ARG H H 1 7.692 0.010 . 1 . . . . . 59 R HN . 16577 1
330 . 3 . 3 59 59 ARG C C 13 179.836 0.000 . 1 . . . . . 59 R C . 16577 1
331 . 3 . 3 59 59 ARG CA C 13 60.060 0.199 . 1 . . . . . 59 R CA . 16577 1
332 . 3 . 3 59 59 ARG CB C 13 30.247 0.000 . 1 . . . . . 59 R CB . 16577 1
333 . 3 . 3 59 59 ARG N N 15 120.941 0.071 . 1 . . . . . 59 R N . 16577 1
334 . 3 . 3 60 60 VAL H H 1 6.968 0.012 . 1 . . . . . 60 V HN . 16577 1
335 . 3 . 3 60 60 VAL HA H 1 3.726 0.000 . 1 . . . . . 60 V HA . 16577 1
336 . 3 . 3 60 60 VAL C C 13 178.198 0.000 . 1 . . . . . 60 V C . 16577 1
337 . 3 . 3 60 60 VAL CA C 13 66.322 0.152 . 1 . . . . . 60 V CA . 16577 1
338 . 3 . 3 60 60 VAL CB C 13 31.523 0.457 . 1 . . . . . 60 V CB . 16577 1
339 . 3 . 3 60 60 VAL N N 15 121.156 0.175 . 1 . . . . . 60 V N . 16577 1
340 . 3 . 3 61 61 LYS H H 1 7.463 0.011 . 1 . . . . . 61 K HN . 16577 1
341 . 3 . 3 61 61 LYS C C 13 178.033 0.000 . 1 . . . . . 61 K C . 16577 1
342 . 3 . 3 61 61 LYS CA C 13 59.591 0.061 . 1 . . . . . 61 K CA . 16577 1
343 . 3 . 3 61 61 LYS CB C 13 32.163 0.258 . 1 . . . . . 61 K CB . 16577 1
344 . 3 . 3 61 61 LYS N N 15 120.921 0.108 . 1 . . . . . 61 K N . 16577 1
345 . 3 . 3 62 62 GLU H H 1 7.811 0.009 . 1 . . . . . 62 E HN . 16577 1
346 . 3 . 3 62 62 GLU C C 13 177.804 0.000 . 1 . . . . . 62 E C . 16577 1
347 . 3 . 3 62 62 GLU CA C 13 59.215 0.172 . 1 . . . . . 62 E CA . 16577 1
348 . 3 . 3 62 62 GLU CB C 13 29.591 0.232 . 1 . . . . . 62 E CB . 16577 1
349 . 3 . 3 62 62 GLU N N 15 118.057 0.141 . 1 . . . . . 62 E N . 16577 1
350 . 3 . 3 63 63 LYS H H 1 7.632 0.005 . 1 . . . . . 63 K HN . 16577 1
351 . 3 . 3 63 63 LYS HA H 1 4.004 0.000 . 1 . . . . . 63 K HA . 16577 1
352 . 3 . 3 63 63 LYS HB2 H 1 2.038 0.000 . 2 . . . . . 63 K HB2 . 16577 1
353 . 3 . 3 63 63 LYS C C 13 178.339 0.000 . 1 . . . . . 63 K C . 16577 1
354 . 3 . 3 63 63 LYS CA C 13 59.154 0.018 . 1 . . . . . 63 K CA . 16577 1
355 . 3 . 3 63 63 LYS CB C 13 31.734 0.325 . 1 . . . . . 63 K CB . 16577 1
356 . 3 . 3 63 63 LYS N N 15 117.804 0.077 . 1 . . . . . 63 K N . 16577 1
357 . 3 . 3 64 64 LYS H H 1 7.900 0.009 . 1 . . . . . 64 K HN . 16577 1
358 . 3 . 3 64 64 LYS HA H 1 4.079 0.010 . 1 . . . . . 64 K HA . 16577 1
359 . 3 . 3 64 64 LYS HB2 H 1 1.974 0.002 . 2 . . . . . 64 K HB2 . 16577 1
360 . 3 . 3 64 64 LYS C C 13 178.968 0.000 . 1 . . . . . 64 K C . 16577 1
361 . 3 . 3 64 64 LYS CA C 13 59.104 0.046 . 1 . . . . . 64 K CA . 16577 1
362 . 3 . 3 64 64 LYS CB C 13 32.512 0.262 . 1 . . . . . 64 K CB . 16577 1
363 . 3 . 3 64 64 LYS N N 15 119.621 0.056 . 1 . . . . . 64 K N . 16577 1
364 . 3 . 3 65 65 VAL H H 1 8.035 0.008 . 1 . . . . . 65 V HN . 16577 1
365 . 3 . 3 65 65 VAL HA H 1 3.800 0.003 . 1 . . . . . 65 V HA . 16577 1
366 . 3 . 3 65 65 VAL HB H 1 2.261 0.030 . 1 . . . . . 65 V HB . 16577 1
367 . 3 . 3 65 65 VAL C C 13 178.231 0.000 . 1 . . . . . 65 V C . 16577 1
368 . 3 . 3 65 65 VAL CA C 13 65.452 0.079 . 1 . . . . . 65 V CA . 16577 1
369 . 3 . 3 65 65 VAL CB C 13 31.776 0.305 . 1 . . . . . 65 V CB . 16577 1
370 . 3 . 3 65 65 VAL N N 15 119.788 0.145 . 1 . . . . . 65 V N . 16577 1
371 . 3 . 3 66 66 ILE H H 1 8.061 0.004 . 1 . . . . . 66 I HN . 16577 1
372 . 3 . 3 66 66 ILE C C 13 177.970 0.000 . 1 . . . . . 66 I C . 16577 1
373 . 3 . 3 66 66 ILE CA C 13 63.762 0.213 . 1 . . . . . 66 I CA . 16577 1
374 . 3 . 3 66 66 ILE CB C 13 37.845 0.260 . 1 . . . . . 66 I CB . 16577 1
375 . 3 . 3 66 66 ILE N N 15 120.928 0.045 . 1 . . . . . 66 I N . 16577 1
376 . 3 . 3 67 67 ASN H H 1 8.108 0.004 . 1 . . . . . 67 N HN . 16577 1
377 . 3 . 3 67 67 ASN HA H 1 4.589 0.000 . 1 . . . . . 67 N HA . 16577 1
378 . 3 . 3 67 67 ASN HB2 H 1 2.873 0.000 . 2 . . . . . 67 N HB2 . 16577 1
379 . 3 . 3 67 67 ASN C C 13 176.524 0.000 . 1 . . . . . 67 N C . 16577 1
380 . 3 . 3 67 67 ASN CA C 13 54.822 0.053 . 1 . . . . . 67 N CA . 16577 1
381 . 3 . 3 67 67 ASN CB C 13 38.589 0.050 . 1 . . . . . 67 N CB . 16577 1
382 . 3 . 3 67 67 ASN N N 15 119.198 0.054 . 1 . . . . . 67 N N . 16577 1
383 . 3 . 3 68 68 LYS H H 1 7.865 0.004 . 1 . . . . . 68 K HN . 16577 1
384 . 3 . 3 68 68 LYS HA H 1 4.344 0.000 . 1 . . . . . 68 K HA . 16577 1
385 . 3 . 3 68 68 LYS HB2 H 1 1.839 0.000 . 2 . . . . . 68 K HB2 . 16577 1
386 . 3 . 3 68 68 LYS C C 13 177.406 0.000 . 1 . . . . . 68 K C . 16577 1
387 . 3 . 3 68 68 LYS CA C 13 57.721 0.052 . 1 . . . . . 68 K CA . 16577 1
388 . 3 . 3 68 68 LYS CB C 13 32.558 0.197 . 1 . . . . . 68 K CB . 16577 1
389 . 3 . 3 68 68 LYS N N 15 121.078 0.185 . 1 . . . . . 68 K N . 16577 1
390 . 3 . 3 69 69 LEU H H 1 7.915 0.005 . 1 . . . . . 69 L HN . 16577 1
391 . 3 . 3 69 69 LEU C C 13 177.720 0.000 . 1 . . . . . 69 L C . 16577 1
392 . 3 . 3 69 69 LEU CA C 13 55.827 0.044 . 1 . . . . . 69 L CA . 16577 1
393 . 3 . 3 69 69 LEU CB C 13 42.050 0.221 . 1 . . . . . 69 L CB . 16577 1
394 . 3 . 3 69 69 LEU N N 15 121.247 0.075 . 1 . . . . . 69 L N . 16577 1
395 . 3 . 3 70 70 LYS H H 1 7.953 0.004 . 1 . . . . . 70 K HN . 16577 1
396 . 3 . 3 70 70 LYS HA H 1 4.359 0.000 . 1 . . . . . 70 K HA . 16577 1
397 . 3 . 3 70 70 LYS HB2 H 1 1.916 0.000 . 2 . . . . . 70 K HB2 . 16577 1
398 . 3 . 3 70 70 LYS C C 13 176.888 0.000 . 1 . . . . . 70 K C . 16577 1
399 . 3 . 3 70 70 LYS CA C 13 56.738 0.128 . 1 . . . . . 70 K CA . 16577 1
400 . 3 . 3 70 70 LYS CB C 13 32.740 0.275 . 1 . . . . . 70 K CB . 16577 1
401 . 3 . 3 70 70 LYS N N 15 120.974 0.049 . 1 . . . . . 70 K N . 16577 1
402 . 3 . 3 71 71 THR H H 1 8.044 0.005 . 1 . . . . . 71 T HN . 16577 1
403 . 3 . 3 71 71 THR HA H 1 4.417 0.045 . 1 . . . . . 71 T HA . 16577 1
404 . 3 . 3 71 71 THR HG21 H 1 1.255 0.000 . 1 . . . . . 71 T HG2 . 16577 1
405 . 3 . 3 71 71 THR HG22 H 1 1.255 0.000 . 1 . . . . . 71 T HG2 . 16577 1
406 . 3 . 3 71 71 THR HG23 H 1 1.255 0.000 . 1 . . . . . 71 T HG2 . 16577 1
407 . 3 . 3 71 71 THR C C 13 174.730 0.000 . 1 . . . . . 71 T C . 16577 1
408 . 3 . 3 71 71 THR CA C 13 61.930 0.052 . 1 . . . . . 71 T CA . 16577 1
409 . 3 . 3 71 71 THR CB C 13 69.852 0.032 . 1 . . . . . 71 T CB . 16577 1
410 . 3 . 3 71 71 THR N N 15 114.488 0.145 . 1 . . . . . 71 T N . 16577 1
411 . 3 . 3 72 72 THR H H 1 8.043 0.007 . 1 . . . . . 72 T HN . 16577 1
412 . 3 . 3 72 72 THR HA H 1 4.465 0.000 . 1 . . . . . 72 T HA . 16577 1
413 . 3 . 3 72 72 THR HG21 H 1 1.244 0.000 . 1 . . . . . 72 T HG2 . 16577 1
414 . 3 . 3 72 72 THR HG22 H 1 1.244 0.000 . 1 . . . . . 72 T HG2 . 16577 1
415 . 3 . 3 72 72 THR HG23 H 1 1.244 0.000 . 1 . . . . . 72 T HG2 . 16577 1
416 . 3 . 3 72 72 THR C C 13 173.777 0.000 . 1 . . . . . 72 T C . 16577 1
417 . 3 . 3 72 72 THR CA C 13 61.727 0.047 . 1 . . . . . 72 T CA . 16577 1
418 . 3 . 3 72 72 THR CB C 13 70.015 0.042 . 1 . . . . . 72 T CB . 16577 1
419 . 3 . 3 72 72 THR N N 15 115.923 0.153 . 1 . . . . . 72 T N . 16577 1
420 . 3 . 3 73 73 SER H H 1 7.943 0.003 . 1 . . . . . 73 S HN . 16577 1
421 . 3 . 3 73 73 SER CA C 13 60.277 0.251 . 1 . . . . . 73 S CA . 16577 1
422 . 3 . 3 73 73 SER CB C 13 65.003 0.063 . 1 . . . . . 73 S CB . 16577 1
423 . 3 . 3 73 73 SER N N 15 123.847 0.055 . 1 . . . . . 73 S N . 16577 1
stop_
save_