###################################
# 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 28009
_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' . . . 28009 1
2 '3D CBCA(CO)NH' . . . 28009 1
3 '3D HNCACB' . . . 28009 1
4 '3D HNCO' . . . 28009 1
5 '3D HCACO' . . . 28009 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $SPARKY . . 28009 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 HIS C C 13 174.774 0 . 1 . . . . . 3 HIS C . 28009 1
2 . 1 . 1 3 3 HIS CA C 13 56.42 0 . 1 . . . . . 3 HIS CA . 28009 1
3 . 1 . 1 3 3 HIS CB C 13 30.792 0 . 1 . . . . . 3 HIS CB . 28009 1
4 . 1 . 1 4 4 MET H H 1 8.051 0.006 . 1 . . . . . 4 MET HN . 28009 1
5 . 1 . 1 4 4 MET C C 13 174.809 0.001 . 1 . . . . . 4 MET C . 28009 1
6 . 1 . 1 4 4 MET CA C 13 55.381 0.191 . 1 . . . . . 4 MET CA . 28009 1
7 . 1 . 1 4 4 MET CB C 13 34.091 0.03 . 1 . . . . . 4 MET CB . 28009 1
8 . 1 . 1 4 4 MET N N 15 122.587 0.046 . 1 . . . . . 4 MET N . 28009 1
9 . 1 . 1 5 5 THR H H 1 8.594 0.006 . 1 . . . . . 5 THR HN . 28009 1
10 . 1 . 1 5 5 THR C C 13 172.139 0.011 . 1 . . . . . 5 THR C . 28009 1
11 . 1 . 1 5 5 THR CA C 13 63.646 0.09 . 1 . . . . . 5 THR CA . 28009 1
12 . 1 . 1 5 5 THR CB C 13 69.574 0.133 . 1 . . . . . 5 THR CB . 28009 1
13 . 1 . 1 5 5 THR N N 15 122.633 0.012 . 1 . . . . . 5 THR N . 28009 1
14 . 1 . 1 6 6 GLU H H 1 8.32 0.007 . 1 . . . . . 6 GLU HN . 28009 1
15 . 1 . 1 6 6 GLU C C 13 175.2 0 . 1 . . . . . 6 GLU C . 28009 1
16 . 1 . 1 6 6 GLU CA C 13 54.296 0.011 . 1 . . . . . 6 GLU CA . 28009 1
17 . 1 . 1 6 6 GLU CB C 13 31.861 0.09 . 1 . . . . . 6 GLU CB . 28009 1
18 . 1 . 1 6 6 GLU N N 15 126.545 0.012 . 1 . . . . . 6 GLU N . 28009 1
19 . 1 . 1 7 7 TYR H H 1 8.692 0.006 . 1 . . . . . 7 TYR HN . 28009 1
20 . 1 . 1 7 7 TYR C C 13 174.645 0.002 . 1 . . . . . 7 TYR C . 28009 1
21 . 1 . 1 7 7 TYR CA C 13 56.858 0.026 . 1 . . . . . 7 TYR CA . 28009 1
22 . 1 . 1 7 7 TYR CB C 13 41.901 0.193 . 1 . . . . . 7 TYR CB . 28009 1
23 . 1 . 1 7 7 TYR N N 15 121.97 0.012 . 1 . . . . . 7 TYR N . 28009 1
24 . 1 . 1 8 8 LYS H H 1 9.127 0.006 . 1 . . . . . 8 LYS HN . 28009 1
25 . 1 . 1 8 8 LYS C C 13 175.286 0.002 . 1 . . . . . 8 LYS C . 28009 1
26 . 1 . 1 8 8 LYS CA C 13 55.36 0.103 . 1 . . . . . 8 LYS CA . 28009 1
27 . 1 . 1 8 8 LYS CB C 13 32.144 0.088 . 1 . . . . . 8 LYS CB . 28009 1
28 . 1 . 1 8 8 LYS N N 15 123.839 0.012 . 1 . . . . . 8 LYS N . 28009 1
29 . 1 . 1 9 9 LEU H H 1 9.193 0.006 . 1 . . . . . 9 LEU HN . 28009 1
30 . 1 . 1 9 9 LEU C C 13 175.371 0 . 1 . . . . . 9 LEU C . 28009 1
31 . 1 . 1 9 9 LEU CA C 13 52.942 0 . 1 . . . . . 9 LEU CA . 28009 1
32 . 1 . 1 9 9 LEU CB C 13 43.67 0 . 1 . . . . . 9 LEU CB . 28009 1
33 . 1 . 1 9 9 LEU N N 15 126.145 0.012 . 1 . . . . . 9 LEU N . 28009 1
34 . 1 . 1 10 10 VAL C C 13 174.12 0 . 1 . . . . . 10 VAL C . 28009 1
35 . 1 . 1 10 10 VAL CA C 13 60.919 0 . 1 . . . . . 10 VAL CA . 28009 1
36 . 1 . 1 10 10 VAL CB C 13 34.03 0 . 1 . . . . . 10 VAL CB . 28009 1
37 . 1 . 1 11 11 VAL H H 1 8.758 0.006 . 1 . . . . . 11 VAL HN . 28009 1
38 . 1 . 1 11 11 VAL C C 13 175.321 0.026 . 1 . . . . . 11 VAL C . 28009 1
39 . 1 . 1 11 11 VAL CA C 13 62.084 0.047 . 1 . . . . . 11 VAL CA . 28009 1
40 . 1 . 1 11 11 VAL CB C 13 32.352 0.021 . 1 . . . . . 11 VAL CB . 28009 1
41 . 1 . 1 11 11 VAL N N 15 129.144 0.012 . 1 . . . . . 11 VAL N . 28009 1
42 . 1 . 1 12 12 VAL H H 1 9.034 0.006 . 1 . . . . . 12 VAL HN . 28009 1
43 . 1 . 1 12 12 VAL C C 13 172.972 0 . 1 . . . . . 12 VAL C . 28009 1
44 . 1 . 1 12 12 VAL CA C 13 59.079 0 . 1 . . . . . 12 VAL CA . 28009 1
45 . 1 . 1 12 12 VAL CB C 13 35.355 0 . 1 . . . . . 12 VAL CB . 28009 1
46 . 1 . 1 12 12 VAL N N 15 120.415 0.012 . 1 . . . . . 12 VAL N . 28009 1
47 . 1 . 1 13 13 GLY C C 13 172.583 0 . 1 . . . . . 13 GLY C . 28009 1
48 . 1 . 1 13 13 GLY CA C 13 44.127 0 . 1 . . . . . 13 GLY CA . 28009 1
49 . 1 . 1 14 14 ALA H H 1 8.981 0.007 . 1 . . . . . 14 ALA HN . 28009 1
50 . 1 . 1 14 14 ALA C C 13 176.865 0 . 1 . . . . . 14 ALA C . 28009 1
51 . 1 . 1 14 14 ALA N N 15 121.306 0.012 . 1 . . . . . 14 ALA N . 28009 1
52 . 1 . 1 16 16 GLY C C 13 174.516 0 . 1 . . . . . 16 GLY C . 28009 1
53 . 1 . 1 16 16 GLY CA C 13 46.357 0 . 1 . . . . . 16 GLY CA . 28009 1
54 . 1 . 1 17 17 VAL H H 1 7.45 0.007 . 1 . . . . . 17 VAL HN . 28009 1
55 . 1 . 1 17 17 VAL C C 13 174.485 0 . 1 . . . . . 17 VAL C . 28009 1
56 . 1 . 1 17 17 VAL CA C 13 63.059 0.074 . 1 . . . . . 17 VAL CA . 28009 1
57 . 1 . 1 17 17 VAL CB C 13 31.733 0.17 . 1 . . . . . 17 VAL CB . 28009 1
58 . 1 . 1 17 17 VAL N N 15 112.588 0.032 . 1 . . . . . 17 VAL N . 28009 1
59 . 1 . 1 18 18 GLY H H 1 8.393 0.007 . 1 . . . . . 18 GLY HN . 28009 1
60 . 1 . 1 18 18 GLY C C 13 179.672 0 . 1 . . . . . 18 GLY C . 28009 1
61 . 1 . 1 18 18 GLY CA C 13 45.72 0 . 1 . . . . . 18 GLY CA . 28009 1
62 . 1 . 1 18 18 GLY N N 15 108.268 0.012 . 1 . . . . . 18 GLY N . 28009 1
63 . 1 . 1 19 19 LYS H H 1 8.886 0.006 . 1 . . . . . 19 LYS HN . 28009 1
64 . 1 . 1 19 19 LYS N N 15 123.521 0.012 . 1 . . . . . 19 LYS N . 28009 1
65 . 1 . 1 21 21 ALA C C 13 182.136 0 . 1 . . . . . 21 ALA C . 28009 1
66 . 1 . 1 21 21 ALA CA C 13 54.671 0 . 1 . . . . . 21 ALA CA . 28009 1
67 . 1 . 1 21 21 ALA CB C 13 18.498 0 . 1 . . . . . 21 ALA CB . 28009 1
68 . 1 . 1 22 22 LEU H H 1 8.806 0.007 . 1 . . . . . 22 LEU HN . 28009 1
69 . 1 . 1 22 22 LEU C C 13 177.486 0.005 . 1 . . . . . 22 LEU C . 28009 1
70 . 1 . 1 22 22 LEU CA C 13 58.936 0.023 . 1 . . . . . 22 LEU CA . 28009 1
71 . 1 . 1 22 22 LEU CB C 13 43.243 0.009 . 1 . . . . . 22 LEU CB . 28009 1
72 . 1 . 1 22 22 LEU N N 15 120.282 0.012 . 1 . . . . . 22 LEU N . 28009 1
73 . 1 . 1 23 23 THR H H 1 7.546 0.006 . 1 . . . . . 23 THR HN . 28009 1
74 . 1 . 1 23 23 THR C C 13 177.548 0 . 1 . . . . . 23 THR C . 28009 1
75 . 1 . 1 23 23 THR CA C 13 68.612 0 . 1 . . . . . 23 THR CA . 28009 1
76 . 1 . 1 23 23 THR N N 15 117.246 0.012 . 1 . . . . . 23 THR N . 28009 1
77 . 1 . 1 24 24 ILE CA C 13 64.41 0 . 1 . . . . . 24 ILE CA . 28009 1
78 . 1 . 1 24 24 ILE CB C 13 36.55 0 . 1 . . . . . 24 ILE CB . 28009 1
79 . 1 . 1 25 25 GLN H H 1 7.995 0.007 . 1 . . . . . 25 GLN HN . 28009 1
80 . 1 . 1 25 25 GLN C C 13 179.291 0.034 . 1 . . . . . 25 GLN C . 28009 1
81 . 1 . 1 25 25 GLN CA C 13 58.974 0.104 . 1 . . . . . 25 GLN CA . 28009 1
82 . 1 . 1 25 25 GLN CB C 13 29.095 0.26 . 1 . . . . . 25 GLN CB . 28009 1
83 . 1 . 1 25 25 GLN N N 15 120.842 0.012 . 1 . . . . . 25 GLN N . 28009 1
84 . 1 . 1 26 26 LEU H H 1 7.67 0.006 . 1 . . . . . 26 LEU HN . 28009 1
85 . 1 . 1 26 26 LEU C C 13 178.237 0.006 . 1 . . . . . 26 LEU C . 28009 1
86 . 1 . 1 26 26 LEU CA C 13 58.427 0.139 . 1 . . . . . 26 LEU CA . 28009 1
87 . 1 . 1 26 26 LEU CB C 13 40.665 0.049 . 1 . . . . . 26 LEU CB . 28009 1
88 . 1 . 1 26 26 LEU N N 15 120.35 0.012 . 1 . . . . . 26 LEU N . 28009 1
89 . 1 . 1 27 27 ILE H H 1 8.145 0.007 . 1 . . . . . 27 ILE HN . 28009 1
90 . 1 . 1 27 27 ILE C C 13 177.525 0.014 . 1 . . . . . 27 ILE C . 28009 1
91 . 1 . 1 27 27 ILE CA C 13 62.318 0.038 . 1 . . . . . 27 ILE CA . 28009 1
92 . 1 . 1 27 27 ILE CB C 13 37.221 0.178 . 1 . . . . . 27 ILE CB . 28009 1
93 . 1 . 1 27 27 ILE N N 15 114.241 0.012 . 1 . . . . . 27 ILE N . 28009 1
94 . 1 . 1 28 28 GLN H H 1 8.928 0.007 . 1 . . . . . 28 GLN HN . 28009 1
95 . 1 . 1 28 28 GLN C C 13 176.087 0.007 . 1 . . . . . 28 GLN C . 28009 1
96 . 1 . 1 28 28 GLN CA C 13 55.21 0.088 . 1 . . . . . 28 GLN CA . 28009 1
97 . 1 . 1 28 28 GLN CB C 13 30.337 0.022 . 1 . . . . . 28 GLN CB . 28009 1
98 . 1 . 1 28 28 GLN N N 15 116.21 0.012 . 1 . . . . . 28 GLN N . 28009 1
99 . 1 . 1 29 29 ASN H H 1 7.929 0.009 . 1 . . . . . 29 ASN HN . 28009 1
100 . 1 . 1 29 29 ASN C C 13 173.886 0.006 . 1 . . . . . 29 ASN C . 28009 1
101 . 1 . 1 29 29 ASN CA C 13 54.623 0.073 . 1 . . . . . 29 ASN CA . 28009 1
102 . 1 . 1 29 29 ASN CB C 13 37.161 0.173 . 1 . . . . . 29 ASN CB . 28009 1
103 . 1 . 1 29 29 ASN N N 15 116.894 0.042 . 1 . . . . . 29 ASN N . 28009 1
104 . 1 . 1 30 30 HIS H H 1 6.743 0.007 . 1 . . . . . 30 HIS HN . 28009 1
105 . 1 . 1 30 30 HIS C C 13 172.731 0.005 . 1 . . . . . 30 HIS C . 28009 1
106 . 1 . 1 30 30 HIS CA C 13 54.897 0.046 . 1 . . . . . 30 HIS CA . 28009 1
107 . 1 . 1 30 30 HIS CB C 13 33.43 0.089 . 1 . . . . . 30 HIS CB . 28009 1
108 . 1 . 1 30 30 HIS N N 15 112.626 0.026 . 1 . . . . . 30 HIS N . 28009 1
109 . 1 . 1 31 31 PHE H H 1 8.276 0.007 . 1 . . . . . 31 PHE HN . 28009 1
110 . 1 . 1 31 31 PHE CA C 13 55.337 0 . 1 . . . . . 31 PHE CA . 28009 1
111 . 1 . 1 31 31 PHE CB C 13 37.965 0 . 1 . . . . . 31 PHE CB . 28009 1
112 . 1 . 1 31 31 PHE N N 15 122.525 0.014 . 1 . . . . . 31 PHE N . 28009 1
113 . 1 . 1 42 42 SER C C 13 173.254 0 . 1 . . . . . 42 SER C . 28009 1
114 . 1 . 1 42 42 SER CB C 13 65.095 0 . 1 . . . . . 42 SER CB . 28009 1
115 . 1 . 1 43 43 TYR H H 1 8.996 0.007 . 1 . . . . . 43 TYR HN . 28009 1
116 . 1 . 1 43 43 TYR C C 13 174.154 0 . 1 . . . . . 43 TYR C . 28009 1
117 . 1 . 1 43 43 TYR CA C 13 56.887 0 . 1 . . . . . 43 TYR CA . 28009 1
118 . 1 . 1 43 43 TYR N N 15 122.333 0.012 . 1 . . . . . 43 TYR N . 28009 1
119 . 1 . 1 44 44 ARG C C 13 176.035 0 . 1 . . . . . 44 ARG C . 28009 1
120 . 1 . 1 44 44 ARG CA C 13 54.521 0 . 1 . . . . . 44 ARG CA . 28009 1
121 . 1 . 1 44 44 ARG CB C 13 34.03 0 . 1 . . . . . 44 ARG CB . 28009 1
122 . 1 . 1 45 45 LYS H H 1 8.696 0.006 . 1 . . . . . 45 LYS HN . 28009 1
123 . 1 . 1 45 45 LYS C C 13 173.675 0.009 . 1 . . . . . 45 LYS C . 28009 1
124 . 1 . 1 45 45 LYS CA C 13 55.724 0.167 . 1 . . . . . 45 LYS CA . 28009 1
125 . 1 . 1 45 45 LYS CB C 13 37.834 0.161 . 1 . . . . . 45 LYS CB . 28009 1
126 . 1 . 1 45 45 LYS N N 15 122.929 0.012 . 1 . . . . . 45 LYS N . 28009 1
127 . 1 . 1 46 46 GLN H H 1 8.881 0.007 . 1 . . . . . 46 GLN HN . 28009 1
128 . 1 . 1 46 46 GLN C C 13 175.252 0.006 . 1 . . . . . 46 GLN C . 28009 1
129 . 1 . 1 46 46 GLN CA C 13 55.516 0.043 . 1 . . . . . 46 GLN CA . 28009 1
130 . 1 . 1 46 46 GLN CB C 13 29.699 0.062 . 1 . . . . . 46 GLN CB . 28009 1
131 . 1 . 1 46 46 GLN N N 15 129.04 0.012 . 1 . . . . . 46 GLN N . 28009 1
132 . 1 . 1 47 47 VAL H H 1 9.064 0.007 . 1 . . . . . 47 VAL HN . 28009 1
133 . 1 . 1 47 47 VAL C C 13 173.139 0.002 . 1 . . . . . 47 VAL C . 28009 1
134 . 1 . 1 47 47 VAL CA C 13 59.731 0.027 . 1 . . . . . 47 VAL CA . 28009 1
135 . 1 . 1 47 47 VAL CB C 13 36.036 0.034 . 1 . . . . . 47 VAL CB . 28009 1
136 . 1 . 1 47 47 VAL N N 15 121.442 0.012 . 1 . . . . . 47 VAL N . 28009 1
137 . 1 . 1 48 48 VAL H H 1 8.076 0.006 . 1 . . . . . 48 VAL HN . 28009 1
138 . 1 . 1 48 48 VAL C C 13 175.616 0.017 . 1 . . . . . 48 VAL C . 28009 1
139 . 1 . 1 48 48 VAL CA C 13 61.733 0.029 . 1 . . . . . 48 VAL CA . 28009 1
140 . 1 . 1 48 48 VAL CB C 13 32.127 0.032 . 1 . . . . . 48 VAL CB . 28009 1
141 . 1 . 1 48 48 VAL N N 15 121.834 0.012 . 1 . . . . . 48 VAL N . 28009 1
142 . 1 . 1 49 49 ILE H H 1 8.253 0.007 . 1 . . . . . 49 ILE HN . 28009 1
143 . 1 . 1 49 49 ILE C C 13 176.472 0.007 . 1 . . . . . 49 ILE C . 28009 1
144 . 1 . 1 49 49 ILE CA C 13 60.512 0.101 . 1 . . . . . 49 ILE CA . 28009 1
145 . 1 . 1 49 49 ILE CB C 13 39.993 0.129 . 1 . . . . . 49 ILE CB . 28009 1
146 . 1 . 1 49 49 ILE N N 15 126.032 0.012 . 1 . . . . . 49 ILE N . 28009 1
147 . 1 . 1 50 50 ASP H H 1 9.538 0.006 . 1 . . . . . 50 ASP HN . 28009 1
148 . 1 . 1 50 50 ASP C C 13 176.161 0.014 . 1 . . . . . 50 ASP C . 28009 1
149 . 1 . 1 50 50 ASP CA C 13 55.244 0 . 1 . . . . . 50 ASP CA . 28009 1
150 . 1 . 1 50 50 ASP CB C 13 39.447 0 . 1 . . . . . 50 ASP CB . 28009 1
151 . 1 . 1 50 50 ASP N N 15 130.358 0.012 . 1 . . . . . 50 ASP N . 28009 1
152 . 1 . 1 51 51 GLY H H 1 8.29 0 . 1 . . . . . 51 GLY HN . 28009 1
153 . 1 . 1 51 51 GLY C C 13 173.187 0.021 . 1 . . . . . 51 GLY C . 28009 1
154 . 1 . 1 51 51 GLY CA C 13 45.272 0 . 1 . . . . . 51 GLY CA . 28009 1
155 . 1 . 1 51 51 GLY N N 15 103.21 0 . 1 . . . . . 51 GLY N . 28009 1
156 . 1 . 1 52 52 GLU H H 1 7.695 0.007 . 1 . . . . . 52 GLU HN . 28009 1
157 . 1 . 1 52 52 GLU C C 13 175.572 0.011 . 1 . . . . . 52 GLU C . 28009 1
158 . 1 . 1 52 52 GLU CA C 13 54.77 0.082 . 1 . . . . . 52 GLU CA . 28009 1
159 . 1 . 1 52 52 GLU CB C 13 31.79 0.058 . 1 . . . . . 52 GLU CB . 28009 1
160 . 1 . 1 52 52 GLU N N 15 122.531 0.012 . 1 . . . . . 52 GLU N . 28009 1
161 . 1 . 1 53 53 THR H H 1 8.978 0.006 . 1 . . . . . 53 THR HN . 28009 1
162 . 1 . 1 53 53 THR C C 13 173.548 0.02 . 1 . . . . . 53 THR C . 28009 1
163 . 1 . 1 53 53 THR CA C 13 63.983 0.192 . 1 . . . . . 53 THR CA . 28009 1
164 . 1 . 1 53 53 THR CB C 13 68.332 0.158 . 1 . . . . . 53 THR CB . 28009 1
165 . 1 . 1 53 53 THR N N 15 125.586 0.012 . 1 . . . . . 53 THR N . 28009 1
166 . 1 . 1 54 54 CYS H H 1 9.395 0.006 . 1 . . . . . 54 CYS HN . 28009 1
167 . 1 . 1 54 54 CYS C C 13 171.243 0.004 . 1 . . . . . 54 CYS C . 28009 1
168 . 1 . 1 54 54 CYS CA C 13 56.641 0.038 . 1 . . . . . 54 CYS CA . 28009 1
169 . 1 . 1 54 54 CYS CB C 13 31.316 0.046 . 1 . . . . . 54 CYS CB . 28009 1
170 . 1 . 1 54 54 CYS N N 15 124.681 0.012 . 1 . . . . . 54 CYS N . 28009 1
171 . 1 . 1 55 55 LEU H H 1 8.799 0.006 . 1 . . . . . 55 LEU HN . 28009 1
172 . 1 . 1 55 55 LEU C C 13 175.024 0.007 . 1 . . . . . 55 LEU C . 28009 1
173 . 1 . 1 55 55 LEU CA C 13 53.367 0.002 . 1 . . . . . 55 LEU CA . 28009 1
174 . 1 . 1 55 55 LEU CB C 13 43.992 0.018 . 1 . . . . . 55 LEU CB . 28009 1
175 . 1 . 1 55 55 LEU N N 15 122.482 0.012 . 1 . . . . . 55 LEU N . 28009 1
176 . 1 . 1 56 56 LEU H H 1 9.07 0.006 . 1 . . . . . 56 LEU HN . 28009 1
177 . 1 . 1 56 56 LEU C C 13 174.181 0 . 1 . . . . . 56 LEU C . 28009 1
178 . 1 . 1 56 56 LEU CA C 13 53.447 0 . 1 . . . . . 56 LEU CA . 28009 1
179 . 1 . 1 56 56 LEU CB C 13 41.738 0 . 1 . . . . . 56 LEU CB . 28009 1
180 . 1 . 1 56 56 LEU N N 15 123.759 0.012 . 1 . . . . . 56 LEU N . 28009 1
181 . 1 . 1 57 57 ASP C C 13 174.945 0 . 1 . . . . . 57 ASP C . 28009 1
182 . 1 . 1 57 57 ASP CA C 13 53.011 0 . 1 . . . . . 57 ASP CA . 28009 1
183 . 1 . 1 57 57 ASP CB C 13 42.467 0 . 1 . . . . . 57 ASP CB . 28009 1
184 . 1 . 1 58 58 ILE H H 1 9.188 0.007 . 1 . . . . . 58 ILE HN . 28009 1
185 . 1 . 1 58 58 ILE C C 13 174.547 0.057 . 1 . . . . . 58 ILE C . 28009 1
186 . 1 . 1 58 58 ILE CA C 13 60.635 0.142 . 1 . . . . . 58 ILE CA . 28009 1
187 . 1 . 1 58 58 ILE CB C 13 40.122 0 . 1 . . . . . 58 ILE CB . 28009 1
188 . 1 . 1 58 58 ILE N N 15 124.04 0.012 . 1 . . . . . 58 ILE N . 28009 1
189 . 1 . 1 59 59 LEU H H 1 8.925 0.007 . 1 . . . . . 59 LEU HN . 28009 1
190 . 1 . 1 59 59 LEU C C 13 171.521 0 . 1 . . . . . 59 LEU C . 28009 1
191 . 1 . 1 59 59 LEU CA C 13 54.148 0 . 1 . . . . . 59 LEU CA . 28009 1
192 . 1 . 1 59 59 LEU N N 15 130.231 0.012 . 1 . . . . . 59 LEU N . 28009 1
193 . 1 . 1 76 76 ARG C C 13 178.259 0 . 1 . . . . . 76 ARG C . 28009 1
194 . 1 . 1 76 76 ARG CA C 13 59.845 0 . 1 . . . . . 76 ARG CA . 28009 1
195 . 1 . 1 76 76 ARG CB C 13 30.283 0 . 1 . . . . . 76 ARG CB . 28009 1
196 . 1 . 1 77 77 THR H H 1 7.607 0.006 . 1 . . . . . 77 THR HN . 28009 1
197 . 1 . 1 77 77 THR C C 13 175.865 0.006 . 1 . . . . . 77 THR C . 28009 1
198 . 1 . 1 77 77 THR CA C 13 63.177 0.044 . 1 . . . . . 77 THR CA . 28009 1
199 . 1 . 1 77 77 THR CB C 13 69.718 0.099 . 1 . . . . . 77 THR CB . 28009 1
200 . 1 . 1 77 77 THR N N 15 108.646 0.012 . 1 . . . . . 77 THR N . 28009 1
201 . 1 . 1 78 78 GLY H H 1 7.844 0.007 . 1 . . . . . 78 GLY HN . 28009 1
202 . 1 . 1 78 78 GLY C C 13 172.335 0 . 1 . . . . . 78 GLY C . 28009 1
203 . 1 . 1 78 78 GLY CA C 13 46.245 0.38 . 1 . . . . . 78 GLY CA . 28009 1
204 . 1 . 1 78 78 GLY N N 15 107.91 0.012 . 1 . . . . . 78 GLY N . 28009 1
205 . 1 . 1 79 79 GLU H H 1 8.962 0.007 . 1 . . . . . 79 GLU HN . 28009 1
206 . 1 . 1 79 79 GLU C C 13 176.547 0 . 1 . . . . . 79 GLU C . 28009 1
207 . 1 . 1 79 79 GLU CA C 13 56.625 0 . 1 . . . . . 79 GLU CA . 28009 1
208 . 1 . 1 79 79 GLU CB C 13 32.078 0 . 1 . . . . . 79 GLU CB . 28009 1
209 . 1 . 1 79 79 GLU N N 15 123.465 0.012 . 1 . . . . . 79 GLU N . 28009 1
210 . 1 . 1 80 80 GLY H H 1 7.181 0.007 . 1 . . . . . 80 GLY HN . 28009 1
211 . 1 . 1 80 80 GLY C C 13 170.839 0.01 . 1 . . . . . 80 GLY C . 28009 1
212 . 1 . 1 80 80 GLY CA C 13 45.373 0.062 . 1 . . . . . 80 GLY CA . 28009 1
213 . 1 . 1 80 80 GLY N N 15 101.184 0.011 . 1 . . . . . 80 GLY N . 28009 1
214 . 1 . 1 81 81 PHE H H 1 8.136 0.006 . 1 . . . . . 81 PHE HN . 28009 1
215 . 1 . 1 81 81 PHE C C 13 173.652 0.018 . 1 . . . . . 81 PHE C . 28009 1
216 . 1 . 1 81 81 PHE CA C 13 57.056 0.004 . 1 . . . . . 81 PHE CA . 28009 1
217 . 1 . 1 81 81 PHE CB C 13 42.945 0.136 . 1 . . . . . 81 PHE CB . 28009 1
218 . 1 . 1 81 81 PHE N N 15 120.978 0.012 . 1 . . . . . 81 PHE N . 28009 1
219 . 1 . 1 82 82 LEU H H 1 9.225 0.007 . 1 . . . . . 82 LEU HN . 28009 1
220 . 1 . 1 82 82 LEU C C 13 174.628 0 . 1 . . . . . 82 LEU C . 28009 1
221 . 1 . 1 82 82 LEU CA C 13 54.028 0 . 1 . . . . . 82 LEU CA . 28009 1
222 . 1 . 1 82 82 LEU CB C 13 42.938 0.022 . 1 . . . . . 82 LEU CB . 28009 1
223 . 1 . 1 82 82 LEU N N 15 126.974 0.012 . 1 . . . . . 82 LEU N . 28009 1
224 . 1 . 1 83 83 CYS H H 1 8.693 0.006 . 1 . . . . . 83 CYS HN . 28009 1
225 . 1 . 1 83 83 CYS C C 13 172.68 0.002 . 1 . . . . . 83 CYS C . 28009 1
226 . 1 . 1 83 83 CYS CA C 13 57.892 0.183 . 1 . . . . . 83 CYS CA . 28009 1
227 . 1 . 1 83 83 CYS CB C 13 27.438 0.016 . 1 . . . . . 83 CYS CB . 28009 1
228 . 1 . 1 83 83 CYS N N 15 124.664 0.012 . 1 . . . . . 83 CYS N . 28009 1
229 . 1 . 1 84 84 VAL H H 1 9.011 0.006 . 1 . . . . . 84 VAL HN . 28009 1
230 . 1 . 1 84 84 VAL C C 13 175.137 0.001 . 1 . . . . . 84 VAL C . 28009 1
231 . 1 . 1 84 84 VAL CA C 13 61.449 0.007 . 1 . . . . . 84 VAL CA . 28009 1
232 . 1 . 1 84 84 VAL CB C 13 33.19 0.013 . 1 . . . . . 84 VAL CB . 28009 1
233 . 1 . 1 84 84 VAL N N 15 126.108 0.012 . 1 . . . . . 84 VAL N . 28009 1
234 . 1 . 1 85 85 PHE H H 1 9.3 0.006 . 1 . . . . . 85 PHE HN . 28009 1
235 . 1 . 1 85 85 PHE C C 13 171.189 0.002 . 1 . . . . . 85 PHE C . 28009 1
236 . 1 . 1 85 85 PHE CA C 13 55.433 0.045 . 1 . . . . . 85 PHE CA . 28009 1
237 . 1 . 1 85 85 PHE CB C 13 40.592 0.123 . 1 . . . . . 85 PHE CB . 28009 1
238 . 1 . 1 85 85 PHE N N 15 123.942 0.012 . 1 . . . . . 85 PHE N . 28009 1
239 . 1 . 1 86 86 ALA H H 1 8.654 0.007 . 1 . . . . . 86 ALA HN . 28009 1
240 . 1 . 1 86 86 ALA C C 13 179.322 0 . 1 . . . . . 86 ALA C . 28009 1
241 . 1 . 1 86 86 ALA CA C 13 49.591 0.056 . 1 . . . . . 86 ALA CA . 28009 1
242 . 1 . 1 86 86 ALA CB C 13 21.652 0.005 . 1 . . . . . 86 ALA CB . 28009 1
243 . 1 . 1 86 86 ALA N N 15 121.034 0.012 . 1 . . . . . 86 ALA N . 28009 1
244 . 1 . 1 87 87 ILE H H 1 8.455 0.006 . 1 . . . . . 87 ILE HN . 28009 1
245 . 1 . 1 87 87 ILE C C 13 174.192 0.008 . 1 . . . . . 87 ILE C . 28009 1
246 . 1 . 1 87 87 ILE CA C 13 63.48 0.037 . 1 . . . . . 87 ILE CA . 28009 1
247 . 1 . 1 87 87 ILE CB C 13 38.064 0.02 . 1 . . . . . 87 ILE CB . 28009 1
248 . 1 . 1 87 87 ILE N N 15 113.212 0.012 . 1 . . . . . 87 ILE N . 28009 1
249 . 1 . 1 88 88 ASN H H 1 7.878 0.007 . 1 . . . . . 88 ASN HN . 28009 1
250 . 1 . 1 88 88 ASN C C 13 174.617 0.001 . 1 . . . . . 88 ASN C . 28009 1
251 . 1 . 1 88 88 ASN CA C 13 52.275 0.069 . 1 . . . . . 88 ASN CA . 28009 1
252 . 1 . 1 88 88 ASN CB C 13 37.979 0.035 . 1 . . . . . 88 ASN CB . 28009 1
253 . 1 . 1 88 88 ASN N N 15 117.014 0.012 . 1 . . . . . 88 ASN N . 28009 1
254 . 1 . 1 89 89 ASN H H 1 7.896 0.006 . 1 . . . . . 89 ASN HN . 28009 1
255 . 1 . 1 89 89 ASN C C 13 175.229 0 . 1 . . . . . 89 ASN C . 28009 1
256 . 1 . 1 89 89 ASN CA C 13 51.759 0 . 1 . . . . . 89 ASN CA . 28009 1
257 . 1 . 1 89 89 ASN CB C 13 39.108 0 . 1 . . . . . 89 ASN CB . 28009 1
258 . 1 . 1 89 89 ASN N N 15 119.235 0.012 . 1 . . . . . 89 ASN N . 28009 1
259 . 1 . 1 90 90 THR C C 13 176.052 0 . 1 . . . . . 90 THR C . 28009 1
260 . 1 . 1 90 90 THR CA C 13 67.086 0 . 1 . . . . . 90 THR CA . 28009 1
261 . 1 . 1 90 90 THR CB C 13 68.555 0 . 1 . . . . . 90 THR CB . 28009 1
262 . 1 . 1 91 91 LYS H H 1 8.437 0.006 . 1 . . . . . 91 LYS HN . 28009 1
263 . 1 . 1 91 91 LYS C C 13 178.034 0.008 . 1 . . . . . 91 LYS C . 28009 1
264 . 1 . 1 91 91 LYS CA C 13 59.43 0.022 . 1 . . . . . 91 LYS CA . 28009 1
265 . 1 . 1 91 91 LYS CB C 13 31.367 0.078 . 1 . . . . . 91 LYS CB . 28009 1
266 . 1 . 1 91 91 LYS N N 15 124.109 0.012 . 1 . . . . . 91 LYS N . 28009 1
267 . 1 . 1 92 92 SER H H 1 7.901 0.007 . 1 . . . . . 92 SER HN . 28009 1
268 . 1 . 1 92 92 SER C C 13 175.814 0.008 . 1 . . . . . 92 SER C . 28009 1
269 . 1 . 1 92 92 SER CA C 13 61.828 0.151 . 1 . . . . . 92 SER CA . 28009 1
270 . 1 . 1 92 92 SER CB C 13 63.954 0.109 . 1 . . . . . 92 SER CB . 28009 1
271 . 1 . 1 92 92 SER N N 15 114.354 0.012 . 1 . . . . . 92 SER N . 28009 1
272 . 1 . 1 93 93 PHE H H 1 7.406 0.006 . 1 . . . . . 93 PHE HN . 28009 1
273 . 1 . 1 93 93 PHE C C 13 177.235 0.008 . 1 . . . . . 93 PHE C . 28009 1
274 . 1 . 1 93 93 PHE CA C 13 59.951 0.005 . 1 . . . . . 93 PHE CA . 28009 1
275 . 1 . 1 93 93 PHE CB C 13 39.987 0.151 . 1 . . . . . 93 PHE CB . 28009 1
276 . 1 . 1 93 93 PHE N N 15 124.77 0.012 . 1 . . . . . 93 PHE N . 28009 1
277 . 1 . 1 94 94 GLU H H 1 8.348 0.007 . 1 . . . . . 94 GLU HN . 28009 1
278 . 1 . 1 94 94 GLU C C 13 179.807 0 . 1 . . . . . 94 GLU C . 28009 1
279 . 1 . 1 94 94 GLU CA C 13 56.123 0 . 1 . . . . . 94 GLU CA . 28009 1
280 . 1 . 1 94 94 GLU CB C 13 29.242 0 . 1 . . . . . 94 GLU CB . 28009 1
281 . 1 . 1 94 94 GLU N N 15 121.686 0.012 . 1 . . . . . 94 GLU N . 28009 1
282 . 1 . 1 95 95 ASP C C 13 177.652 0 . 1 . . . . . 95 ASP C . 28009 1
283 . 1 . 1 95 95 ASP CA C 13 56.438 0 . 1 . . . . . 95 ASP CA . 28009 1
284 . 1 . 1 95 95 ASP CB C 13 41.097 0 . 1 . . . . . 95 ASP CB . 28009 1
285 . 1 . 1 96 96 ILE H H 1 7.54 0.006 . 1 . . . . . 96 ILE HN . 28009 1
286 . 1 . 1 96 96 ILE C C 13 177.337 0.016 . 1 . . . . . 96 ILE C . 28009 1
287 . 1 . 1 96 96 ILE CA C 13 62.169 0.132 . 1 . . . . . 96 ILE CA . 28009 1
288 . 1 . 1 96 96 ILE CB C 13 34.552 0.024 . 1 . . . . . 96 ILE CB . 28009 1
289 . 1 . 1 96 96 ILE N N 15 120.313 0.012 . 1 . . . . . 96 ILE N . 28009 1
290 . 1 . 1 97 97 HIS H H 1 7.662 0.006 . 1 . . . . . 97 HIS HN . 28009 1
291 . 1 . 1 97 97 HIS C C 13 177.454 0.016 . 1 . . . . . 97 HIS C . 28009 1
292 . 1 . 1 97 97 HIS CA C 13 60.21 0.036 . 1 . . . . . 97 HIS CA . 28009 1
293 . 1 . 1 97 97 HIS CB C 13 30.837 0.08 . 1 . . . . . 97 HIS CB . 28009 1
294 . 1 . 1 97 97 HIS N N 15 117.416 0.012 . 1 . . . . . 97 HIS N . 28009 1
295 . 1 . 1 98 98 GLN H H 1 7.418 0.007 . 1 . . . . . 98 GLN HN . 28009 1
296 . 1 . 1 98 98 GLN C C 13 179.294 0.009 . 1 . . . . . 98 GLN C . 28009 1
297 . 1 . 1 98 98 GLN CA C 13 58.339 0.093 . 1 . . . . . 98 GLN CA . 28009 1
298 . 1 . 1 98 98 GLN CB C 13 27.774 0.068 . 1 . . . . . 98 GLN CB . 28009 1
299 . 1 . 1 98 98 GLN N N 15 115.978 0.012 . 1 . . . . . 98 GLN N . 28009 1
300 . 1 . 1 99 99 TYR H H 1 7.57 0.006 . 1 . . . . . 99 TYR HN . 28009 1
301 . 1 . 1 99 99 TYR C C 13 177.587 0.009 . 1 . . . . . 99 TYR C . 28009 1
302 . 1 . 1 99 99 TYR CA C 13 63.061 0.171 . 1 . . . . . 99 TYR CA . 28009 1
303 . 1 . 1 99 99 TYR CB C 13 37.972 0.057 . 1 . . . . . 99 TYR CB . 28009 1
304 . 1 . 1 99 99 TYR N N 15 119.22 0.012 . 1 . . . . . 99 TYR N . 28009 1
305 . 1 . 1 100 100 ARG H H 1 8.372 0.007 . 1 . . . . . 100 ARG HN . 28009 1
306 . 1 . 1 100 100 ARG C C 13 177.587 0.006 . 1 . . . . . 100 ARG C . 28009 1
307 . 1 . 1 100 100 ARG CA C 13 60.145 0.019 . 1 . . . . . 100 ARG CA . 28009 1
308 . 1 . 1 100 100 ARG CB C 13 28.7 0.015 . 1 . . . . . 100 ARG CB . 28009 1
309 . 1 . 1 100 100 ARG N N 15 118.515 0.012 . 1 . . . . . 100 ARG N . 28009 1
310 . 1 . 1 101 101 GLU H H 1 7.978 0.006 . 1 . . . . . 101 GLU HN . 28009 1
311 . 1 . 1 101 101 GLU C C 13 179.006 0.002 . 1 . . . . . 101 GLU C . 28009 1
312 . 1 . 1 101 101 GLU CA C 13 59.038 0.15 . 1 . . . . . 101 GLU CA . 28009 1
313 . 1 . 1 101 101 GLU CB C 13 29.03 0.031 . 1 . . . . . 101 GLU CB . 28009 1
314 . 1 . 1 101 101 GLU N N 15 116.76 0.012 . 1 . . . . . 101 GLU N . 28009 1
315 . 1 . 1 102 102 GLN H H 1 7.875 0.006 . 1 . . . . . 102 GLN HN . 28009 1
316 . 1 . 1 102 102 GLN C C 13 177.558 0.005 . 1 . . . . . 102 GLN C . 28009 1
317 . 1 . 1 102 102 GLN CA C 13 59.147 0.086 . 1 . . . . . 102 GLN CA . 28009 1
318 . 1 . 1 102 102 GLN CB C 13 27.819 0.034 . 1 . . . . . 102 GLN CB . 28009 1
319 . 1 . 1 102 102 GLN N N 15 120.337 0.012 . 1 . . . . . 102 GLN N . 28009 1
320 . 1 . 1 103 103 ILE H H 1 8.014 0.006 . 1 . . . . . 103 ILE HN . 28009 1
321 . 1 . 1 103 103 ILE C C 13 177.391 0.069 . 1 . . . . . 103 ILE C . 28009 1
322 . 1 . 1 103 103 ILE CA C 13 65.793 0 . 1 . . . . . 103 ILE CA . 28009 1
323 . 1 . 1 103 103 ILE CB C 13 37.696 0.04 . 1 . . . . . 103 ILE CB . 28009 1
324 . 1 . 1 103 103 ILE N N 15 120.157 0.012 . 1 . . . . . 103 ILE N . 28009 1
325 . 1 . 1 104 104 LYS H H 1 7.795 0.006 . 1 . . . . . 104 LYS HN . 28009 1
326 . 1 . 1 104 104 LYS C C 13 179.495 0.012 . 1 . . . . . 104 LYS C . 28009 1
327 . 1 . 1 104 104 LYS CA C 13 59.864 0.017 . 1 . . . . . 104 LYS CA . 28009 1
328 . 1 . 1 104 104 LYS CB C 13 32.281 0.022 . 1 . . . . . 104 LYS CB . 28009 1
329 . 1 . 1 104 104 LYS N N 15 117.13 0.012 . 1 . . . . . 104 LYS N . 28009 1
330 . 1 . 1 105 105 ARG H H 1 7.731 0.006 . 1 . . . . . 105 ARG HN . 28009 1
331 . 1 . 1 105 105 ARG C C 13 179.562 0.041 . 1 . . . . . 105 ARG C . 28009 1
332 . 1 . 1 105 105 ARG CA C 13 59.25 0.037 . 1 . . . . . 105 ARG CA . 28009 1
333 . 1 . 1 105 105 ARG CB C 13 29.819 0.118 . 1 . . . . . 105 ARG CB . 28009 1
334 . 1 . 1 105 105 ARG N N 15 118.219 0.012 . 1 . . . . . 105 ARG N . 28009 1
335 . 1 . 1 106 106 VAL H H 1 8.339 0.007 . 1 . . . . . 106 VAL HN . 28009 1
336 . 1 . 1 106 106 VAL C C 13 178.095 0.017 . 1 . . . . . 106 VAL C . 28009 1
337 . 1 . 1 106 106 VAL CA C 13 60.308 0.185 . 1 . . . . . 106 VAL CA . 28009 1
338 . 1 . 1 106 106 VAL CB C 13 28.655 0.005 . 1 . . . . . 106 VAL CB . 28009 1
339 . 1 . 1 106 106 VAL N N 15 118.772 0.012 . 1 . . . . . 106 VAL N . 28009 1
340 . 1 . 1 107 107 LYS H H 1 8.136 0.007 . 1 . . . . . 107 LYS HN . 28009 1
341 . 1 . 1 107 107 LYS C C 13 179.262 0.07 . 1 . . . . . 107 LYS C . 28009 1
342 . 1 . 1 107 107 LYS CA C 13 57.594 0.214 . 1 . . . . . 107 LYS CA . 28009 1
343 . 1 . 1 107 107 LYS CB C 13 39.733 0.224 . 1 . . . . . 107 LYS CB . 28009 1
344 . 1 . 1 107 107 LYS N N 15 116.089 0.012 . 1 . . . . . 107 LYS N . 28009 1
345 . 1 . 1 108 108 ASP H H 1 7.926 0.006 . 1 . . . . . 108 ASP HN . 28009 1
346 . 1 . 1 108 108 ASP C C 13 174.48 0.002 . 1 . . . . . 108 ASP C . 28009 1
347 . 1 . 1 108 108 ASP CA C 13 54.553 0.077 . 1 . . . . . 108 ASP CA . 28009 1
348 . 1 . 1 108 108 ASP CB C 13 39.793 0.075 . 1 . . . . . 108 ASP CB . 28009 1
349 . 1 . 1 108 108 ASP N N 15 120.865 0.012 . 1 . . . . . 108 ASP N . 28009 1
350 . 1 . 1 109 109 SER H H 1 7.518 0.007 . 1 . . . . . 109 SER HN . 28009 1
351 . 1 . 1 109 109 SER C C 13 173.016 0.004 . 1 . . . . . 109 SER C . 28009 1
352 . 1 . 1 109 109 SER CA C 13 56.912 0.02 . 1 . . . . . 109 SER CA . 28009 1
353 . 1 . 1 109 109 SER CB C 13 65.368 0.088 . 1 . . . . . 109 SER CB . 28009 1
354 . 1 . 1 109 109 SER N N 15 109.201 0.012 . 1 . . . . . 109 SER N . 28009 1
355 . 1 . 1 110 110 ASP H H 1 8.356 0.006 . 1 . . . . . 110 ASP HN . 28009 1
356 . 1 . 1 110 110 ASP C C 13 176.032 0.012 . 1 . . . . . 110 ASP C . 28009 1
357 . 1 . 1 110 110 ASP CA C 13 54.712 0.105 . 1 . . . . . 110 ASP CA . 28009 1
358 . 1 . 1 110 110 ASP CB C 13 41.663 0.048 . 1 . . . . . 110 ASP CB . 28009 1
359 . 1 . 1 110 110 ASP N N 15 122.192 0.012 . 1 . . . . . 110 ASP N . 28009 1
360 . 1 . 1 111 111 ASP H H 1 8.362 0.006 . 1 . . . . . 111 ASP HN . 28009 1
361 . 1 . 1 111 111 ASP C C 13 174.327 0.003 . 1 . . . . . 111 ASP C . 28009 1
362 . 1 . 1 111 111 ASP CA C 13 53.119 0.078 . 1 . . . . . 111 ASP CA . 28009 1
363 . 1 . 1 111 111 ASP CB C 13 41.239 0.1 . 1 . . . . . 111 ASP CB . 28009 1
364 . 1 . 1 111 111 ASP N N 15 120.934 0.012 . 1 . . . . . 111 ASP N . 28009 1
365 . 1 . 1 112 112 VAL H H 1 7.614 0.007 . 1 . . . . . 112 VAL HN . 28009 1
366 . 1 . 1 112 112 VAL C C 13 174.124 0 . 1 . . . . . 112 VAL C . 28009 1
367 . 1 . 1 112 112 VAL CA C 13 59.026 0 . 1 . . . . . 112 VAL CA . 28009 1
368 . 1 . 1 112 112 VAL CB C 13 34.943 0 . 1 . . . . . 112 VAL CB . 28009 1
369 . 1 . 1 112 112 VAL N N 15 122.355 0.012 . 1 . . . . . 112 VAL N . 28009 1
370 . 1 . 1 113 113 PRO C C 13 175.961 0 . 1 . . . . . 113 PRO C . 28009 1
371 . 1 . 1 113 113 PRO CA C 13 63.945 0 . 1 . . . . . 113 PRO CA . 28009 1
372 . 1 . 1 113 113 PRO CB C 13 32.331 0 . 1 . . . . . 113 PRO CB . 28009 1
373 . 1 . 1 114 114 MET H H 1 8.291 0.007 . 1 . . . . . 114 MET HN . 28009 1
374 . 1 . 1 114 114 MET C C 13 173.707 0.008 . 1 . . . . . 114 MET C . 28009 1
375 . 1 . 1 114 114 MET CA C 13 55.186 0.003 . 1 . . . . . 114 MET CA . 28009 1
376 . 1 . 1 114 114 MET CB C 13 37.736 0.03 . 1 . . . . . 114 MET CB . 28009 1
377 . 1 . 1 114 114 MET N N 15 123.009 0.012 . 1 . . . . . 114 MET N . 28009 1
378 . 1 . 1 115 115 VAL H H 1 8.127 0.006 . 1 . . . . . 115 VAL HN . 28009 1
379 . 1 . 1 115 115 VAL C C 13 173.189 0.001 . 1 . . . . . 115 VAL C . 28009 1
380 . 1 . 1 115 115 VAL CA C 13 61.128 0.022 . 1 . . . . . 115 VAL CA . 28009 1
381 . 1 . 1 115 115 VAL CB C 13 37.596 0.159 . 1 . . . . . 115 VAL CB . 28009 1
382 . 1 . 1 115 115 VAL N N 15 118.055 0.012 . 1 . . . . . 115 VAL N . 28009 1
383 . 1 . 1 116 116 LEU H H 1 8.865 0.006 . 1 . . . . . 116 LEU HN . 28009 1
384 . 1 . 1 116 116 LEU C C 13 173.571 0.058 . 1 . . . . . 116 LEU C . 28009 1
385 . 1 . 1 116 116 LEU CA C 13 53.983 0.108 . 1 . . . . . 116 LEU CA . 28009 1
386 . 1 . 1 116 116 LEU CB C 13 43.924 0.077 . 1 . . . . . 116 LEU CB . 28009 1
387 . 1 . 1 116 116 LEU N N 15 129.04 0.012 . 1 . . . . . 116 LEU N . 28009 1
388 . 1 . 1 117 117 VAL H H 1 9.151 0.006 . 1 . . . . . 117 VAL HN . 28009 1
389 . 1 . 1 117 117 VAL C C 13 173.668 0.024 . 1 . . . . . 117 VAL C . 28009 1
390 . 1 . 1 117 117 VAL CA C 13 60.197 0.088 . 1 . . . . . 117 VAL CA . 28009 1
391 . 1 . 1 117 117 VAL CB C 13 35.13 0.17 . 1 . . . . . 117 VAL CB . 28009 1
392 . 1 . 1 117 117 VAL N N 15 128.168 0.012 . 1 . . . . . 117 VAL N . 28009 1
393 . 1 . 1 118 118 GLY H H 1 8.018 0.006 . 1 . . . . . 118 GLY HN . 28009 1
394 . 1 . 1 118 118 GLY C C 13 171.568 0.007 . 1 . . . . . 118 GLY C . 28009 1
395 . 1 . 1 118 118 GLY CA C 13 45.398 0.093 . 1 . . . . . 118 GLY CA . 28009 1
396 . 1 . 1 118 118 GLY N N 15 114.448 0.012 . 1 . . . . . 118 GLY N . 28009 1
397 . 1 . 1 119 119 ASN H H 1 8.732 0.007 . 1 . . . . . 119 ASN HN . 28009 1
398 . 1 . 1 119 119 ASN C C 13 174.752 0.006 . 1 . . . . . 119 ASN C . 28009 1
399 . 1 . 1 119 119 ASN CA C 13 51.453 0 . 1 . . . . . 119 ASN CA . 28009 1
400 . 1 . 1 119 119 ASN CB C 13 41.103 0.06 . 1 . . . . . 119 ASN CB . 28009 1
401 . 1 . 1 119 119 ASN N N 15 121.162 0.012 . 1 . . . . . 119 ASN N . 28009 1
402 . 1 . 1 120 120 LYS H H 1 7.324 0.007 . 1 . . . . . 120 LYS HN . 28009 1
403 . 1 . 1 120 120 LYS C C 13 177.334 0.015 . 1 . . . . . 120 LYS C . 28009 1
404 . 1 . 1 120 120 LYS CA C 13 57.23 0.177 . 1 . . . . . 120 LYS CA . 28009 1
405 . 1 . 1 120 120 LYS CB C 13 29.642 0.062 . 1 . . . . . 120 LYS CB . 28009 1
406 . 1 . 1 120 120 LYS N N 15 112.038 0.022 . 1 . . . . . 120 LYS N . 28009 1
407 . 1 . 1 121 121 CYS H H 1 8.713 0.006 . 1 . . . . . 121 CYS HN . 28009 1
408 . 1 . 1 121 121 CYS C C 13 173.357 0.002 . 1 . . . . . 121 CYS C . 28009 1
409 . 1 . 1 121 121 CYS CA C 13 60.854 0.022 . 1 . . . . . 121 CYS CA . 28009 1
410 . 1 . 1 121 121 CYS CB C 13 26.331 0.028 . 1 . . . . . 121 CYS CB . 28009 1
411 . 1 . 1 121 121 CYS N N 15 113.984 0.012 . 1 . . . . . 121 CYS N . 28009 1
412 . 1 . 1 122 122 ASP H H 1 8.565 0.007 . 1 . . . . . 122 ASP HN . 28009 1
413 . 1 . 1 122 122 ASP C C 13 175.48 0.02 . 1 . . . . . 122 ASP C . 28009 1
414 . 1 . 1 122 122 ASP CA C 13 54.136 0.013 . 1 . . . . . 122 ASP CA . 28009 1
415 . 1 . 1 122 122 ASP CB C 13 41.326 0.056 . 1 . . . . . 122 ASP CB . 28009 1
416 . 1 . 1 122 122 ASP N N 15 117.161 0.012 . 1 . . . . . 122 ASP N . 28009 1
417 . 1 . 1 123 123 LEU H H 1 7.775 0.006 . 1 . . . . . 123 LEU HN . 28009 1
418 . 1 . 1 123 123 LEU C C 13 176.441 0.001 . 1 . . . . . 123 LEU C . 28009 1
419 . 1 . 1 123 123 LEU CA C 13 54.502 0.096 . 1 . . . . . 123 LEU CA . 28009 1
420 . 1 . 1 123 123 LEU CB C 13 41.725 0.148 . 1 . . . . . 123 LEU CB . 28009 1
421 . 1 . 1 123 123 LEU N N 15 120.82 0.012 . 1 . . . . . 123 LEU N . 28009 1
422 . 1 . 1 124 124 ALA H H 1 8.118 0.006 . 1 . . . . . 124 ALA HN . 28009 1
423 . 1 . 1 124 124 ALA C C 13 178.644 0.007 . 1 . . . . . 124 ALA C . 28009 1
424 . 1 . 1 124 124 ALA CA C 13 53.085 0.135 . 1 . . . . . 124 ALA CA . 28009 1
425 . 1 . 1 124 124 ALA CB C 13 18.933 0.019 . 1 . . . . . 124 ALA CB . 28009 1
426 . 1 . 1 124 124 ALA N N 15 122.595 0.012 . 1 . . . . . 124 ALA N . 28009 1
427 . 1 . 1 125 125 ALA H H 1 7.653 0.007 . 1 . . . . . 125 ALA HN . 28009 1
428 . 1 . 1 125 125 ALA C C 13 175.274 0.005 . 1 . . . . . 125 ALA C . 28009 1
429 . 1 . 1 125 125 ALA CA C 13 51.181 0.052 . 1 . . . . . 125 ALA CA . 28009 1
430 . 1 . 1 125 125 ALA CB C 13 17.55 0.011 . 1 . . . . . 125 ALA CB . 28009 1
431 . 1 . 1 125 125 ALA N N 15 121.738 0.012 . 1 . . . . . 125 ALA N . 28009 1
432 . 1 . 1 126 126 ARG H H 1 7.976 0.006 . 1 . . . . . 126 ARG HN . 28009 1
433 . 1 . 1 126 126 ARG C C 13 176.27 0.008 . 1 . . . . . 126 ARG C . 28009 1
434 . 1 . 1 126 126 ARG CA C 13 55.724 0.042 . 1 . . . . . 126 ARG CA . 28009 1
435 . 1 . 1 126 126 ARG CB C 13 32.648 0.077 . 1 . . . . . 126 ARG CB . 28009 1
436 . 1 . 1 126 126 ARG N N 15 120.135 0.012 . 1 . . . . . 126 ARG N . 28009 1
437 . 1 . 1 127 127 THR H H 1 9.127 0.007 . 1 . . . . . 127 THR HN . 28009 1
438 . 1 . 1 127 127 THR C C 13 174.161 0.002 . 1 . . . . . 127 THR C . 28009 1
439 . 1 . 1 127 127 THR CA C 13 61.732 0.023 . 1 . . . . . 127 THR CA . 28009 1
440 . 1 . 1 127 127 THR CB C 13 69.139 0.018 . 1 . . . . . 127 THR CB . 28009 1
441 . 1 . 1 127 127 THR N N 15 114.401 0.012 . 1 . . . . . 127 THR N . 28009 1
442 . 1 . 1 128 128 VAL H H 1 7.597 0.007 . 1 . . . . . 128 VAL HN . 28009 1
443 . 1 . 1 128 128 VAL C C 13 175.712 0.003 . 1 . . . . . 128 VAL C . 28009 1
444 . 1 . 1 128 128 VAL CA C 13 61.603 0.001 . 1 . . . . . 128 VAL CA . 28009 1
445 . 1 . 1 128 128 VAL CB C 13 33.044 0.119 . 1 . . . . . 128 VAL CB . 28009 1
446 . 1 . 1 128 128 VAL N N 15 124.426 0.012 . 1 . . . . . 128 VAL N . 28009 1
447 . 1 . 1 129 129 GLU H H 1 8.72 0.007 . 1 . . . . . 129 GLU HN . 28009 1
448 . 1 . 1 129 129 GLU C C 13 178.013 0.013 . 1 . . . . . 129 GLU C . 28009 1
449 . 1 . 1 129 129 GLU CA C 13 56.411 0.03 . 1 . . . . . 129 GLU CA . 28009 1
450 . 1 . 1 129 129 GLU CB C 13 30.078 0.077 . 1 . . . . . 129 GLU CB . 28009 1
451 . 1 . 1 129 129 GLU N N 15 127.147 0.012 . 1 . . . . . 129 GLU N . 28009 1
452 . 1 . 1 130 130 SER H H 1 9.39 0.006 . 1 . . . . . 130 SER HN . 28009 1
453 . 1 . 1 130 130 SER C C 13 176.658 0 . 1 . . . . . 130 SER C . 28009 1
454 . 1 . 1 130 130 SER CA C 13 56.558 0 . 1 . . . . . 130 SER CA . 28009 1
455 . 1 . 1 130 130 SER CB C 13 62.674 0.086 . 1 . . . . . 130 SER CB . 28009 1
456 . 1 . 1 130 130 SER N N 15 121.683 0.012 . 1 . . . . . 130 SER N . 28009 1
457 . 1 . 1 131 131 ARG H H 1 8.645 0.006 . 1 . . . . . 131 ARG HN . 28009 1
458 . 1 . 1 131 131 ARG C C 13 177.736 0.002 . 1 . . . . . 131 ARG C . 28009 1
459 . 1 . 1 131 131 ARG CA C 13 58.812 0.029 . 1 . . . . . 131 ARG CA . 28009 1
460 . 1 . 1 131 131 ARG CB C 13 29.508 0.01 . 1 . . . . . 131 ARG CB . 28009 1
461 . 1 . 1 131 131 ARG N N 15 117.912 0.012 . 1 . . . . . 131 ARG N . 28009 1
462 . 1 . 1 132 132 GLN H H 1 6.775 0.007 . 1 . . . . . 132 GLN HN . 28009 1
463 . 1 . 1 132 132 GLN C C 13 178.992 0.003 . 1 . . . . . 132 GLN C . 28009 1
464 . 1 . 1 132 132 GLN CA C 13 58.613 0.137 . 1 . . . . . 132 GLN CA . 28009 1
465 . 1 . 1 132 132 GLN CB C 13 28.827 0.063 . 1 . . . . . 132 GLN CB . 28009 1
466 . 1 . 1 132 132 GLN N N 15 116.89 0.012 . 1 . . . . . 132 GLN N . 28009 1
467 . 1 . 1 133 133 ALA H H 1 6.995 0.007 . 1 . . . . . 133 ALA HN . 28009 1
468 . 1 . 1 133 133 ALA C C 13 178.127 0.005 . 1 . . . . . 133 ALA C . 28009 1
469 . 1 . 1 133 133 ALA CA C 13 55.022 0.101 . 1 . . . . . 133 ALA CA . 28009 1
470 . 1 . 1 133 133 ALA CB C 13 18.651 0.018 . 1 . . . . . 133 ALA CB . 28009 1
471 . 1 . 1 133 133 ALA N N 15 123.408 0.012 . 1 . . . . . 133 ALA N . 28009 1
472 . 1 . 1 134 134 GLN H H 1 8.57 0.007 . 1 . . . . . 134 GLN HN . 28009 1
473 . 1 . 1 134 134 GLN C C 13 179.433 0.017 . 1 . . . . . 134 GLN C . 28009 1
474 . 1 . 1 134 134 GLN CA C 13 58.91 0.169 . 1 . . . . . 134 GLN CA . 28009 1
475 . 1 . 1 134 134 GLN CB C 13 28.502 0.169 . 1 . . . . . 134 GLN CB . 28009 1
476 . 1 . 1 134 134 GLN N N 15 117.939 0.012 . 1 . . . . . 134 GLN N . 28009 1
477 . 1 . 1 135 135 ASP H H 1 8.204 0.006 . 1 . . . . . 135 ASP HN . 28009 1
478 . 1 . 1 135 135 ASP C C 13 178.861 0.007 . 1 . . . . . 135 ASP C . 28009 1
479 . 1 . 1 135 135 ASP CA C 13 57.332 0.036 . 1 . . . . . 135 ASP CA . 28009 1
480 . 1 . 1 135 135 ASP CB C 13 39.811 0.1 . 1 . . . . . 135 ASP CB . 28009 1
481 . 1 . 1 135 135 ASP N N 15 120.12 0.012 . 1 . . . . . 135 ASP N . 28009 1
482 . 1 . 1 136 136 LEU H H 1 7.472 0.006 . 1 . . . . . 136 LEU HN . 28009 1
483 . 1 . 1 136 136 LEU C C 13 178.94 0.01 . 1 . . . . . 136 LEU C . 28009 1
484 . 1 . 1 136 136 LEU CA C 13 57.729 0.132 . 1 . . . . . 136 LEU CA . 28009 1
485 . 1 . 1 136 136 LEU CB C 13 41.788 0.075 . 1 . . . . . 136 LEU CB . 28009 1
486 . 1 . 1 136 136 LEU N N 15 123.586 0.012 . 1 . . . . . 136 LEU N . 28009 1
487 . 1 . 1 137 137 ALA H H 1 8.395 0.007 . 1 . . . . . 137 ALA HN . 28009 1
488 . 1 . 1 137 137 ALA C C 13 179.925 0.017 . 1 . . . . . 137 ALA C . 28009 1
489 . 1 . 1 137 137 ALA CA C 13 56.224 0.06 . 1 . . . . . 137 ALA CA . 28009 1
490 . 1 . 1 137 137 ALA CB C 13 18.091 0.115 . 1 . . . . . 137 ALA CB . 28009 1
491 . 1 . 1 137 137 ALA N N 15 121.708 0.012 . 1 . . . . . 137 ALA N . 28009 1
492 . 1 . 1 138 138 ARG H H 1 8.425 0.007 . 1 . . . . . 138 ARG HN . 28009 1
493 . 1 . 1 138 138 ARG C C 13 179.991 0.025 . 1 . . . . . 138 ARG C . 28009 1
494 . 1 . 1 138 138 ARG CA C 13 59.544 0.016 . 1 . . . . . 138 ARG CA . 28009 1
495 . 1 . 1 138 138 ARG CB C 13 29.636 0.067 . 1 . . . . . 138 ARG CB . 28009 1
496 . 1 . 1 138 138 ARG N N 15 118.325 0.012 . 1 . . . . . 138 ARG N . 28009 1
497 . 1 . 1 139 139 SER H H 1 7.925 0.006 . 1 . . . . . 139 SER HN . 28009 1
498 . 1 . 1 139 139 SER C C 13 176.161 0.027 . 1 . . . . . 139 SER C . 28009 1
499 . 1 . 1 139 139 SER CA C 13 61.044 0 . 1 . . . . . 139 SER CA . 28009 1
500 . 1 . 1 139 139 SER CB C 13 62.623 0.158 . 1 . . . . . 139 SER CB . 28009 1
501 . 1 . 1 139 139 SER N N 15 117.736 0.012 . 1 . . . . . 139 SER N . 28009 1
502 . 1 . 1 140 140 TYR H H 1 7.65 0.007 . 1 . . . . . 140 TYR HN . 28009 1
503 . 1 . 1 140 140 TYR C C 13 176.286 0.012 . 1 . . . . . 140 TYR C . 28009 1
504 . 1 . 1 140 140 TYR CA C 13 54.816 0.045 . 1 . . . . . 140 TYR CA . 28009 1
505 . 1 . 1 140 140 TYR CB C 13 38.71 0.016 . 1 . . . . . 140 TYR CB . 28009 1
506 . 1 . 1 140 140 TYR N N 15 120.071 0.012 . 1 . . . . . 140 TYR N . 28009 1
507 . 1 . 1 141 141 GLY H H 1 8.308 0.007 . 1 . . . . . 141 GLY HN . 28009 1
508 . 1 . 1 141 141 GLY C C 13 175.111 0.02 . 1 . . . . . 141 GLY C . 28009 1
509 . 1 . 1 141 141 GLY CA C 13 46.488 0.088 . 1 . . . . . 141 GLY CA . 28009 1
510 . 1 . 1 141 141 GLY N N 15 110.803 0.012 . 1 . . . . . 141 GLY N . 28009 1
511 . 1 . 1 142 142 ILE H H 1 8.049 0.006 . 1 . . . . . 142 ILE HN . 28009 1
512 . 1 . 1 142 142 ILE C C 13 172.886 0 . 1 . . . . . 142 ILE C . 28009 1
513 . 1 . 1 142 142 ILE CA C 13 58.569 0 . 1 . . . . . 142 ILE CA . 28009 1
514 . 1 . 1 142 142 ILE CB C 13 38.49 0 . 1 . . . . . 142 ILE CB . 28009 1
515 . 1 . 1 142 142 ILE N N 15 113.113 0.012 . 1 . . . . . 142 ILE N . 28009 1
516 . 1 . 1 143 143 PRO C C 13 174.588 0 . 1 . . . . . 143 PRO C . 28009 1
517 . 1 . 1 143 143 PRO CA C 13 62.52 0 . 1 . . . . . 143 PRO CA . 28009 1
518 . 1 . 1 143 143 PRO CB C 13 32.769 0 . 1 . . . . . 143 PRO CB . 28009 1
519 . 1 . 1 144 144 TYR H H 1 8.22 0.006 . 1 . . . . . 144 TYR HN . 28009 1
520 . 1 . 1 144 144 TYR C C 13 174.531 0.031 . 1 . . . . . 144 TYR C . 28009 1
521 . 1 . 1 144 144 TYR CA C 13 54.983 0.041 . 1 . . . . . 144 TYR CA . 28009 1
522 . 1 . 1 144 144 TYR CB C 13 41.115 0.007 . 1 . . . . . 144 TYR CB . 28009 1
523 . 1 . 1 144 144 TYR N N 15 119.958 0.038 . 1 . . . . . 144 TYR N . 28009 1
524 . 1 . 1 145 145 ILE H H 1 8.475 0.007 . 1 . . . . . 145 ILE HN . 28009 1
525 . 1 . 1 145 145 ILE C C 13 172.956 0.005 . 1 . . . . . 145 ILE C . 28009 1
526 . 1 . 1 145 145 ILE CA C 13 59.579 0.019 . 1 . . . . . 145 ILE CA . 28009 1
527 . 1 . 1 145 145 ILE CB C 13 42.131 0.041 . 1 . . . . . 145 ILE CB . 28009 1
528 . 1 . 1 145 145 ILE N N 15 130.122 0.012 . 1 . . . . . 145 ILE N . 28009 1
529 . 1 . 1 146 146 GLU H H 1 7.8 0.006 . 1 . . . . . 146 GLU HN . 28009 1
530 . 1 . 1 146 146 GLU C C 13 176.191 0.009 . 1 . . . . . 146 GLU C . 28009 1
531 . 1 . 1 146 146 GLU CA C 13 55.842 0.03 . 1 . . . . . 146 GLU CA . 28009 1
532 . 1 . 1 146 146 GLU CB C 13 29.584 0.148 . 1 . . . . . 146 GLU CB . 28009 1
533 . 1 . 1 146 146 GLU N N 15 124.851 0.012 . 1 . . . . . 146 GLU N . 28009 1
534 . 1 . 1 147 147 THR H H 1 8.794 0.006 . 1 . . . . . 147 THR HN . 28009 1
535 . 1 . 1 147 147 THR C C 13 176.18 0.007 . 1 . . . . . 147 THR C . 28009 1
536 . 1 . 1 147 147 THR CA C 13 59.692 0.154 . 1 . . . . . 147 THR CA . 28009 1
537 . 1 . 1 147 147 THR CB C 13 73.754 0.01 . 1 . . . . . 147 THR CB . 28009 1
538 . 1 . 1 147 147 THR N N 15 112.627 0.012 . 1 . . . . . 147 THR N . 28009 1
539 . 1 . 1 148 148 SER H H 1 8.738 0.007 . 1 . . . . . 148 SER HN . 28009 1
540 . 1 . 1 148 148 SER C C 13 175.718 0 . 1 . . . . . 148 SER C . 28009 1
541 . 1 . 1 148 148 SER CA C 13 57.368 0.097 . 1 . . . . . 148 SER CA . 28009 1
542 . 1 . 1 148 148 SER CB C 13 64.596 0.1 . 1 . . . . . 148 SER CB . 28009 1
543 . 1 . 1 148 148 SER N N 15 112.408 0.012 . 1 . . . . . 148 SER N . 28009 1
544 . 1 . 1 149 149 ALA H H 1 9.113 0.006 . 1 . . . . . 149 ALA HN . 28009 1
545 . 1 . 1 149 149 ALA C C 13 175.572 0.003 . 1 . . . . . 149 ALA C . 28009 1
546 . 1 . 1 149 149 ALA CA C 13 54.575 0.044 . 1 . . . . . 149 ALA CA . 28009 1
547 . 1 . 1 149 149 ALA CB C 13 18.337 0.033 . 1 . . . . . 149 ALA CB . 28009 1
548 . 1 . 1 149 149 ALA N N 15 132.271 0.027 . 1 . . . . . 149 ALA N . 28009 1
549 . 1 . 1 150 150 LYS H H 1 6.992 0.007 . 1 . . . . . 150 LYS HN . 28009 1
550 . 1 . 1 150 150 LYS C C 13 177.036 0.022 . 1 . . . . . 150 LYS C . 28009 1
551 . 1 . 1 150 150 LYS CA C 13 58.391 0.14 . 1 . . . . . 150 LYS CA . 28009 1
552 . 1 . 1 150 150 LYS CB C 13 33.697 0.041 . 1 . . . . . 150 LYS CB . 28009 1
553 . 1 . 1 150 150 LYS N N 15 116.044 0.012 . 1 . . . . . 150 LYS N . 28009 1
554 . 1 . 1 151 151 THR H H 1 7.643 0.007 . 1 . . . . . 151 THR HN . 28009 1
555 . 1 . 1 151 151 THR C C 13 175.966 0.006 . 1 . . . . . 151 THR C . 28009 1
556 . 1 . 1 151 151 THR CA C 13 61.742 0.131 . 1 . . . . . 151 THR CA . 28009 1
557 . 1 . 1 151 151 THR CB C 13 69.827 0.059 . 1 . . . . . 151 THR CB . 28009 1
558 . 1 . 1 151 151 THR N N 15 106.061 0.012 . 1 . . . . . 151 THR N . 28009 1
559 . 1 . 1 152 152 ARG H H 1 7.752 0.006 . 1 . . . . . 152 ARG HN . 28009 1
560 . 1 . 1 152 152 ARG C C 13 175.481 0.023 . 1 . . . . . 152 ARG C . 28009 1
561 . 1 . 1 152 152 ARG CA C 13 59.567 0.005 . 1 . . . . . 152 ARG CA . 28009 1
562 . 1 . 1 152 152 ARG CB C 13 30.145 0.005 . 1 . . . . . 152 ARG CB . 28009 1
563 . 1 . 1 152 152 ARG N N 15 118.202 0.012 . 1 . . . . . 152 ARG N . 28009 1
564 . 1 . 1 153 153 GLN H H 1 7.803 0.007 . 1 . . . . . 153 GLN HN . 28009 1
565 . 1 . 1 153 153 GLN C C 13 177.032 0.02 . 1 . . . . . 153 GLN C . 28009 1
566 . 1 . 1 153 153 GLN CA C 13 57.319 0.072 . 1 . . . . . 153 GLN CA . 28009 1
567 . 1 . 1 153 153 GLN CB C 13 28.458 0.005 . 1 . . . . . 153 GLN CB . 28009 1
568 . 1 . 1 153 153 GLN N N 15 124.082 0.012 . 1 . . . . . 153 GLN N . 28009 1
569 . 1 . 1 154 154 GLY H H 1 8.913 0.007 . 1 . . . . . 154 GLY HN . 28009 1
570 . 1 . 1 154 154 GLY C C 13 173.564 0.013 . 1 . . . . . 154 GLY C . 28009 1
571 . 1 . 1 154 154 GLY CA C 13 47.076 0.059 . 1 . . . . . 154 GLY CA . 28009 1
572 . 1 . 1 154 154 GLY N N 15 115.174 0.012 . 1 . . . . . 154 GLY N . 28009 1
573 . 1 . 1 155 155 VAL H H 1 7.061 0.006 . 1 . . . . . 155 VAL HN . 28009 1
574 . 1 . 1 155 155 VAL C C 13 176.988 0.01 . 1 . . . . . 155 VAL C . 28009 1
575 . 1 . 1 155 155 VAL CA C 13 68.415 0.033 . 1 . . . . . 155 VAL CA . 28009 1
576 . 1 . 1 155 155 VAL CB C 13 31.518 0.009 . 1 . . . . . 155 VAL CB . 28009 1
577 . 1 . 1 155 155 VAL N N 15 120.523 0.012 . 1 . . . . . 155 VAL N . 28009 1
578 . 1 . 1 156 156 GLU H H 1 8.22 0.007 . 1 . . . . . 156 GLU HN . 28009 1
579 . 1 . 1 156 156 GLU C C 13 177.162 0.024 . 1 . . . . . 156 GLU C . 28009 1
580 . 1 . 1 156 156 GLU CA C 13 60.633 0.2 . 1 . . . . . 156 GLU CA . 28009 1
581 . 1 . 1 156 156 GLU CB C 13 28.614 0.032 . 1 . . . . . 156 GLU CB . 28009 1
582 . 1 . 1 156 156 GLU N N 15 116.783 0.012 . 1 . . . . . 156 GLU N . 28009 1
583 . 1 . 1 157 157 ASP H H 1 8.123 0.006 . 1 . . . . . 157 ASP HN . 28009 1
584 . 1 . 1 157 157 ASP C C 13 179.364 0.013 . 1 . . . . . 157 ASP C . 28009 1
585 . 1 . 1 157 157 ASP CA C 13 57.273 0.01 . 1 . . . . . 157 ASP CA . 28009 1
586 . 1 . 1 157 157 ASP CB C 13 39.945 0.024 . 1 . . . . . 157 ASP CB . 28009 1
587 . 1 . 1 157 157 ASP N N 15 116.429 0.025 . 1 . . . . . 157 ASP N . 28009 1
588 . 1 . 1 158 158 ALA H H 1 8.588 0.006 . 1 . . . . . 158 ALA HN . 28009 1
589 . 1 . 1 158 158 ALA C C 13 177.735 0.005 . 1 . . . . . 158 ALA C . 28009 1
590 . 1 . 1 158 158 ALA CA C 13 56.704 0.063 . 1 . . . . . 158 ALA CA . 28009 1
591 . 1 . 1 158 158 ALA CB C 13 17.291 0.081 . 1 . . . . . 158 ALA CB . 28009 1
592 . 1 . 1 158 158 ALA N N 15 124.029 0.012 . 1 . . . . . 158 ALA N . 28009 1
593 . 1 . 1 159 159 PHE H H 1 7.23 0.006 . 1 . . . . . 159 PHE HN . 28009 1
594 . 1 . 1 159 159 PHE C C 13 178.029 0.019 . 1 . . . . . 159 PHE C . 28009 1
595 . 1 . 1 159 159 PHE CA C 13 63.004 0.034 . 1 . . . . . 159 PHE CA . 28009 1
596 . 1 . 1 159 159 PHE CB C 13 39.534 0.074 . 1 . . . . . 159 PHE CB . 28009 1
597 . 1 . 1 159 159 PHE N N 15 112.693 0.038 . 1 . . . . . 159 PHE N . 28009 1
598 . 1 . 1 160 160 TYR H H 1 9.529 0.007 . 1 . . . . . 160 TYR HN . 28009 1
599 . 1 . 1 160 160 TYR C C 13 179.147 0.016 . 1 . . . . . 160 TYR C . 28009 1
600 . 1 . 1 160 160 TYR CA C 13 58.51 0.006 . 1 . . . . . 160 TYR CA . 28009 1
601 . 1 . 1 160 160 TYR CB C 13 34.793 0.045 . 1 . . . . . 160 TYR CB . 28009 1
602 . 1 . 1 160 160 TYR N N 15 119.241 0.012 . 1 . . . . . 160 TYR N . 28009 1
603 . 1 . 1 161 161 THR H H 1 8.508 0.007 . 1 . . . . . 161 THR HN . 28009 1
604 . 1 . 1 161 161 THR C C 13 175.726 0 . 1 . . . . . 161 THR C . 28009 1
605 . 1 . 1 161 161 THR CA C 13 58.531 0 . 1 . . . . . 161 THR CA . 28009 1
606 . 1 . 1 161 161 THR CB C 13 67.941 0.058 . 1 . . . . . 161 THR CB . 28009 1
607 . 1 . 1 161 161 THR N N 15 117 0.012 . 1 . . . . . 161 THR N . 28009 1
608 . 1 . 1 162 162 LEU H H 1 7.242 0.007 . 1 . . . . . 162 LEU HN . 28009 1
609 . 1 . 1 162 162 LEU C C 13 177.644 0.038 . 1 . . . . . 162 LEU C . 28009 1
610 . 1 . 1 162 162 LEU CA C 13 58.245 0.01 . 1 . . . . . 162 LEU CA . 28009 1
611 . 1 . 1 162 162 LEU CB C 13 40.037 0.024 . 1 . . . . . 162 LEU CB . 28009 1
612 . 1 . 1 162 162 LEU N N 15 121.671 0.012 . 1 . . . . . 162 LEU N . 28009 1
613 . 1 . 1 163 163 VAL H H 1 7.567 0.006 . 1 . . . . . 163 VAL HN . 28009 1
614 . 1 . 1 163 163 VAL C C 13 177.564 0.083 . 1 . . . . . 163 VAL C . 28009 1
615 . 1 . 1 163 163 VAL CA C 13 67.688 0.161 . 1 . . . . . 163 VAL CA . 28009 1
616 . 1 . 1 163 163 VAL CB C 13 30.422 0.118 . 1 . . . . . 163 VAL CB . 28009 1
617 . 1 . 1 163 163 VAL N N 15 119.152 0.012 . 1 . . . . . 163 VAL N . 28009 1
618 . 1 . 1 164 164 ARG H H 1 7.992 0.007 . 1 . . . . . 164 ARG HN . 28009 1
619 . 1 . 1 164 164 ARG C C 13 179.201 0.01 . 1 . . . . . 164 ARG C . 28009 1
620 . 1 . 1 164 164 ARG CA C 13 60.927 0.026 . 1 . . . . . 164 ARG CA . 28009 1
621 . 1 . 1 164 164 ARG CB C 13 29.432 0.279 . 1 . . . . . 164 ARG CB . 28009 1
622 . 1 . 1 164 164 ARG N N 15 118.764 0.012 . 1 . . . . . 164 ARG N . 28009 1
623 . 1 . 1 165 165 GLU H H 1 8.244 0.007 . 1 . . . . . 165 GLU HN . 28009 1
624 . 1 . 1 165 165 GLU C C 13 179.834 0.009 . 1 . . . . . 165 GLU C . 28009 1
625 . 1 . 1 165 165 GLU CA C 13 58.956 0.01 . 1 . . . . . 165 GLU CA . 28009 1
626 . 1 . 1 165 165 GLU CB C 13 30.174 0.088 . 1 . . . . . 165 GLU CB . 28009 1
627 . 1 . 1 165 165 GLU N N 15 118.713 0.012 . 1 . . . . . 165 GLU N . 28009 1
628 . 1 . 1 166 166 ILE H H 1 8.282 0.007 . 1 . . . . . 166 ILE HN . 28009 1
629 . 1 . 1 166 166 ILE C C 13 179.02 0.002 . 1 . . . . . 166 ILE C . 28009 1
630 . 1 . 1 166 166 ILE CA C 13 66.075 0.038 . 1 . . . . . 166 ILE CA . 28009 1
631 . 1 . 1 166 166 ILE CB C 13 38.294 0.184 . 1 . . . . . 166 ILE CB . 28009 1
632 . 1 . 1 166 166 ILE N N 15 121.871 0.012 . 1 . . . . . 166 ILE N . 28009 1
633 . 1 . 1 167 167 ARG H H 1 8.606 0.007 . 1 . . . . . 167 ARG HN . 28009 1
634 . 1 . 1 167 167 ARG C C 13 178.404 0.022 . 1 . . . . . 167 ARG C . 28009 1
635 . 1 . 1 167 167 ARG CA C 13 59.858 0.037 . 1 . . . . . 167 ARG CA . 28009 1
636 . 1 . 1 167 167 ARG CB C 13 30.904 0.053 . 1 . . . . . 167 ARG CB . 28009 1
637 . 1 . 1 167 167 ARG N N 15 119.21 0.012 . 1 . . . . . 167 ARG N . 28009 1
638 . 1 . 1 168 168 GLN H H 1 7.707 0.006 . 1 . . . . . 168 GLN HN . 28009 1
639 . 1 . 1 168 168 GLN C C 13 176.194 0.012 . 1 . . . . . 168 GLN C . 28009 1
640 . 1 . 1 168 168 GLN CA C 13 56.884 0.049 . 1 . . . . . 168 GLN CA . 28009 1
641 . 1 . 1 168 168 GLN CB C 13 28.85 0.011 . 1 . . . . . 168 GLN CB . 28009 1
642 . 1 . 1 168 168 GLN N N 15 115.029 0.016 . 1 . . . . . 168 GLN N . 28009 1
643 . 1 . 1 169 169 HIS H H 1 7.845 0.007 . 1 . . . . . 169 HIS HN . 28009 1
644 . 1 . 1 169 169 HIS C C 13 174.176 0.005 . 1 . . . . . 169 HIS C . 28009 1
645 . 1 . 1 169 169 HIS CA C 13 56.691 0.105 . 1 . . . . . 169 HIS CA . 28009 1
646 . 1 . 1 169 169 HIS CB C 13 29.767 0.019 . 1 . . . . . 169 HIS CB . 28009 1
647 . 1 . 1 169 169 HIS N N 15 118.518 0.03 . 1 . . . . . 169 HIS N . 28009 1
648 . 1 . 1 170 170 LYS H H 1 7.58 0.006 . 1 . . . . . 170 LYS HN . 28009 1
649 . 1 . 1 170 170 LYS C C 13 181.448 0 . 1 . . . . . 170 LYS C . 28009 1
650 . 1 . 1 170 170 LYS CA C 13 58.455 0 . 1 . . . . . 170 LYS CA . 28009 1
651 . 1 . 1 170 170 LYS CB C 13 33.705 0 . 1 . . . . . 170 LYS CB . 28009 1
652 . 1 . 1 170 170 LYS N N 15 127.474 0.012 . 1 . . . . . 170 LYS N . 28009 1
stop_
save_