###################################
# 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_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 6785
_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 1H15N_HSQC 2 $sample_2 isotropic 6785 1
2 HNCA 1 $sample_1 isotropic 6785 1
3 HNCOCA 1 $sample_1 isotropic 6785 1
6 TROSY-HNCACB 2 $sample_2 isotropic 6785 1
7 TROSY-HNCOCACB 2 $sample_2 isotropic 6785 1
8 TROSY-HNCO 4 $sample_4 isotropic 6785 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $software_3 . . 6785 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 MET C C 13 171.965 0.380 . 1 . . . . 1 MET C . 6785 1
2 . 1 1 1 1 MET CA C 13 54.782 0.450 . 1 . . . . 1 MET CA . 6785 1
3 . 1 1 2 2 GLU H H 1 8.809 0.014 . 1 . . . . 2 GLU H . 6785 1
4 . 1 1 2 2 GLU C C 13 174.99 0.380 . 1 . . . . 2 GLU C . 6785 1
5 . 1 1 2 2 GLU CA C 13 55.721 0.450 . 1 . . . . 2 GLU CA . 6785 1
6 . 1 1 2 2 GLU CB C 13 29.572 0.450 . 1 . . . . 2 GLU CB . 6785 1
7 . 1 1 2 2 GLU N N 15 125.322 0.470 . 1 . . . . 2 GLU N . 6785 1
8 . 1 1 3 3 LEU H H 1 8.847 0.014 . 1 . . . . 3 LEU H . 6785 1
9 . 1 1 3 3 LEU C C 13 175.722 0.380 . 1 . . . . 3 LEU C . 6785 1
10 . 1 1 3 3 LEU CA C 13 55.005 0.450 . 1 . . . . 3 LEU CA . 6785 1
11 . 1 1 3 3 LEU CB C 13 40.69 0.450 . 1 . . . . 3 LEU CB . 6785 1
12 . 1 1 3 3 LEU N N 15 128.264 0.470 . 1 . . . . 3 LEU N . 6785 1
13 . 1 1 4 4 VAL H H 1 8.462 0.014 . 1 . . . . 4 VAL H . 6785 1
14 . 1 1 4 4 VAL C C 13 175.73 0.380 . 1 . . . . 4 VAL C . 6785 1
15 . 1 1 4 4 VAL CA C 13 61.567 0.450 . 1 . . . . 4 VAL CA . 6785 1
16 . 1 1 4 4 VAL CB C 13 33.499 0.450 . 1 . . . . 4 VAL CB . 6785 1
17 . 1 1 4 4 VAL N N 15 126.729 0.470 . 1 . . . . 4 VAL N . 6785 1
18 . 1 1 5 5 MET H H 1 8.952 0.014 . 1 . . . . 5 MET H . 6785 1
19 . 1 1 5 5 MET C C 13 175.722 0.380 . 1 . . . . 5 MET C . 6785 1
20 . 1 1 5 5 MET CA C 13 51.818 0.450 . 1 . . . . 5 MET CA . 6785 1
21 . 1 1 5 5 MET CB C 13 30.79 0.450 . 1 . . . . 5 MET CB . 6785 1
22 . 1 1 5 5 MET N N 15 127.855 0.470 . 1 . . . . 5 MET N . 6785 1
23 . 1 1 6 6 THR H H 1 9.631 0.014 . 1 . . . . 6 THR H . 6785 1
24 . 1 1 6 6 THR C C 13 174.61 0.380 . 1 . . . . 6 THR C . 6785 1
25 . 1 1 6 6 THR CA C 13 61.898 0.450 . 1 . . . . 6 THR CA . 6785 1
26 . 1 1 6 6 THR CB C 13 69.711 0.450 . 1 . . . . 6 THR CB . 6785 1
27 . 1 1 6 6 THR N N 15 121.558 0.470 . 1 . . . . 6 THR N . 6785 1
28 . 1 1 7 7 GLN H H 1 9.598 0.014 . 1 . . . . 7 GLN H . 6785 1
29 . 1 1 7 7 GLN C C 13 175.351 0.380 . 1 . . . . 7 GLN C . 6785 1
30 . 1 1 7 7 GLN CA C 13 54.296 0.450 . 1 . . . . 7 GLN CA . 6785 1
31 . 1 1 7 7 GLN CB C 13 30.298 0.450 . 1 . . . . 7 GLN CB . 6785 1
32 . 1 1 7 7 GLN N N 15 130.753 0.470 . 1 . . . . 7 GLN N . 6785 1
33 . 1 1 8 8 THR H H 1 8.736 0.014 . 1 . . . . 8 THR H . 6785 1
34 . 1 1 8 8 THR CA C 13 58.419 0.450 . 1 . . . . 8 THR CA . 6785 1
35 . 1 1 8 8 THR CB C 13 71.33 0.450 . 1 . . . . 8 THR CB . 6785 1
36 . 1 1 8 8 THR N N 15 117.522 0.470 . 1 . . . . 8 THR N . 6785 1
37 . 1 1 9 9 PRO C C 13 174.967 0.380 . 1 . . . . 9 PRO C . 6785 1
38 . 1 1 9 9 PRO CA C 13 62.599 0.450 . 1 . . . . 9 PRO CA . 6785 1
39 . 1 1 9 9 PRO CB C 13 34.228 0.450 . 1 . . . . 9 PRO CB . 6785 1
40 . 1 1 10 10 LEU H H 1 8.707 0.014 . 1 . . . . 10 LEU H . 6785 1
41 . 1 1 10 10 LEU C C 13 178.492 0.380 . 1 . . . . 10 LEU C . 6785 1
42 . 1 1 10 10 LEU CA C 13 57.707 0.450 . 1 . . . . 10 LEU CA . 6785 1
43 . 1 1 10 10 LEU CB C 13 41.043 0.450 . 1 . . . . 10 LEU CB . 6785 1
44 . 1 1 10 10 LEU N N 15 121.103 0.470 . 1 . . . . 10 LEU N . 6785 1
45 . 1 1 11 11 SER H H 1 7.789 0.014 . 1 . . . . 11 SER H . 6785 1
46 . 1 1 11 11 SER C C 13 172.324 0.380 . 1 . . . . 11 SER C . 6785 1
47 . 1 1 11 11 SER CA C 13 56.449 0.450 . 1 . . . . 11 SER CA . 6785 1
48 . 1 1 11 11 SER CB C 13 64.476 0.450 . 1 . . . . 11 SER CB . 6785 1
49 . 1 1 11 11 SER N N 15 113.228 0.470 . 1 . . . . 11 SER N . 6785 1
50 . 1 1 12 12 LEU H H 1 9.243 0.014 . 1 . . . . 12 LEU H . 6785 1
51 . 1 1 12 12 LEU CA C 13 51.381 0.450 . 1 . . . . 12 LEU CA . 6785 1
52 . 1 1 12 12 LEU CB C 13 43.806 0.450 . 1 . . . . 12 LEU CB . 6785 1
53 . 1 1 12 12 LEU N N 15 128.531 0.470 . 1 . . . . 12 LEU N . 6785 1
54 . 1 1 13 13 PRO C C 13 177.247 0.380 . 1 . . . . 13 PRO C . 6785 1
55 . 1 1 13 13 PRO CA C 13 60.438 0.450 . 1 . . . . 13 PRO CA . 6785 1
56 . 1 1 13 13 PRO CB C 13 30.643 0.450 . 1 . . . . 13 PRO CB . 6785 1
57 . 1 1 14 14 VAL H H 1 9.158 0.014 . 1 . . . . 14 VAL H . 6785 1
58 . 1 1 14 14 VAL C C 13 175.344 0.380 . 1 . . . . 14 VAL C . 6785 1
59 . 1 1 14 14 VAL CA C 13 58.914 0.450 . 1 . . . . 14 VAL CA . 6785 1
60 . 1 1 14 14 VAL CB C 13 35.357 0.450 . 1 . . . . 14 VAL CB . 6785 1
61 . 1 1 14 14 VAL N N 15 120.183 0.470 . 1 . . . . 14 VAL N . 6785 1
62 . 1 1 15 15 SER H H 1 8.564 0.014 . 1 . . . . 15 SER H . 6785 1
63 . 1 1 15 15 SER C C 13 174.559 0.380 . 1 . . . . 15 SER C . 6785 1
64 . 1 1 15 15 SER CA C 13 57.125 0.450 . 1 . . . . 15 SER CA . 6785 1
65 . 1 1 15 15 SER CB C 13 63.51 0.450 . 1 . . . . 15 SER CB . 6785 1
66 . 1 1 15 15 SER N N 15 118.839 0.470 . 1 . . . . 15 SER N . 6785 1
67 . 1 1 16 16 LEU H H 1 8.636 0.014 . 1 . . . . 16 LEU H . 6785 1
68 . 1 1 16 16 LEU C C 13 178.742 0.380 . 1 . . . . 16 LEU C . 6785 1
69 . 1 1 16 16 LEU CA C 13 56.521 0.450 . 1 . . . . 16 LEU CA . 6785 1
70 . 1 1 16 16 LEU CB C 13 38.92 0.450 . 1 . . . . 16 LEU CB . 6785 1
71 . 1 1 16 16 LEU N N 15 123.305 0.470 . 1 . . . . 16 LEU N . 6785 1
72 . 1 1 17 17 GLY H H 1 9.449 0.014 . 1 . . . . 17 GLY H . 6785 1
73 . 1 1 17 17 GLY C C 13 174.242 0.380 . 1 . . . . 17 GLY C . 6785 1
74 . 1 1 17 17 GLY CA C 13 44.436 0.450 . 1 . . . . 17 GLY CA . 6785 1
75 . 1 1 17 17 GLY N N 15 113.52 0.470 . 1 . . . . 17 GLY N . 6785 1
76 . 1 1 18 18 ASP H H 1 7.887 0.014 . 1 . . . . 18 ASP H . 6785 1
77 . 1 1 18 18 ASP C C 13 175.341 0.380 . 1 . . . . 18 ASP C . 6785 1
78 . 1 1 18 18 ASP CA C 13 53.951 0.450 . 1 . . . . 18 ASP CA . 6785 1
79 . 1 1 18 18 ASP CB C 13 41.11 0.450 . 1 . . . . 18 ASP CB . 6785 1
80 . 1 1 18 18 ASP N N 15 122.422 0.470 . 1 . . . . 18 ASP N . 6785 1
81 . 1 1 19 19 GLN H H 1 8.24 0.014 . 1 . . . . 19 GLN H . 6785 1
82 . 1 1 19 19 GLN C C 13 175.344 0.380 . 1 . . . . 19 GLN C . 6785 1
83 . 1 1 19 19 GLN CA C 13 54.381 0.450 . 1 . . . . 19 GLN CA . 6785 1
84 . 1 1 19 19 GLN CB C 13 29.756 0.450 . 1 . . . . 19 GLN CB . 6785 1
85 . 1 1 19 19 GLN N N 15 117.765 0.470 . 1 . . . . 19 GLN N . 6785 1
86 . 1 1 20 20 ALA H H 1 8.556 0.014 . 1 . . . . 20 ALA H . 6785 1
87 . 1 1 20 20 ALA C C 13 175.544 0.380 . 1 . . . . 20 ALA C . 6785 1
88 . 1 1 20 20 ALA CA C 13 50.582 0.450 . 1 . . . . 20 ALA CA . 6785 1
89 . 1 1 20 20 ALA CB C 13 22.34 0.450 . 1 . . . . 20 ALA CB . 6785 1
90 . 1 1 20 20 ALA N N 15 123.505 0.470 . 1 . . . . 20 ALA N . 6785 1
91 . 1 1 21 21 SER H H 1 7.772 0.014 . 1 . . . . 21 SER H . 6785 1
92 . 1 1 21 21 SER C C 13 172.343 0.380 . 1 . . . . 21 SER C . 6785 1
93 . 1 1 21 21 SER CA C 13 56.836 0.450 . 1 . . . . 21 SER CA . 6785 1
94 . 1 1 21 21 SER CB C 13 64.906 0.450 . 1 . . . . 21 SER CB . 6785 1
95 . 1 1 21 21 SER N N 15 115.903 0.470 . 1 . . . . 21 SER N . 6785 1
96 . 1 1 22 22 ILE H H 1 9.072 0.014 . 1 . . . . 22 ILE H . 6785 1
97 . 1 1 22 22 ILE C C 13 174.603 0.380 . 1 . . . . 22 ILE C . 6785 1
98 . 1 1 22 22 ILE CA C 13 60.747 0.450 . 1 . . . . 22 ILE CA . 6785 1
99 . 1 1 22 22 ILE CB C 13 40.307 0.450 . 1 . . . . 22 ILE CB . 6785 1
100 . 1 1 22 22 ILE N N 15 125.343 0.470 . 1 . . . . 22 ILE N . 6785 1
101 . 1 1 23 23 SER H H 1 8.716 0.014 . 1 . . . . 23 SER H . 6785 1
102 . 1 1 23 23 SER C C 13 173.916 0.380 . 1 . . . . 23 SER C . 6785 1
103 . 1 1 23 23 SER CA C 13 57.537 0.450 . 1 . . . . 23 SER CA . 6785 1
104 . 1 1 23 23 SER CB C 13 65.195 0.450 . 1 . . . . 23 SER CB . 6785 1
105 . 1 1 23 23 SER N N 15 120.123 0.470 . 1 . . . . 23 SER N . 6785 1
106 . 1 1 24 24 CYS H H 1 9.441 0.014 . 1 . . . . 24 CYS H . 6785 1
107 . 1 1 24 24 CYS C C 13 171.974 0.380 . 1 . . . . 24 CYS C . 6785 1
108 . 1 1 24 24 CYS CA C 13 55.416 0.450 . 1 . . . . 24 CYS CA . 6785 1
109 . 1 1 24 24 CYS CB C 13 47.964 0.450 . 1 . . . . 24 CYS CB . 6785 1
110 . 1 1 24 24 CYS N N 15 125.86 0.470 . 1 . . . . 24 CYS N . 6785 1
111 . 1 1 25 25 ARG H H 1 9.128 0.014 . 1 . . . . 25 ARG H . 6785 1
112 . 1 1 25 25 ARG C C 13 175.71 0.380 . 1 . . . . 25 ARG C . 6785 1
113 . 1 1 25 25 ARG CA C 13 53.29 0.450 . 1 . . . . 25 ARG CA . 6785 1
114 . 1 1 25 25 ARG CB C 13 32.854 0.450 . 1 . . . . 25 ARG CB . 6785 1
115 . 1 1 25 25 ARG N N 15 127.641 0.470 . 1 . . . . 25 ARG N . 6785 1
116 . 1 1 26 26 SER H H 1 9.463 0.014 . 1 . . . . 26 SER H . 6785 1
117 . 1 1 26 26 SER C C 13 175.721 0.380 . 1 . . . . 26 SER C . 6785 1
118 . 1 1 26 26 SER CA C 13 55.857 0.450 . 1 . . . . 26 SER CA . 6785 1
119 . 1 1 26 26 SER CB C 13 67.135 0.450 . 1 . . . . 26 SER CB . 6785 1
120 . 1 1 26 26 SER N N 15 120.204 0.470 . 1 . . . . 26 SER N . 6785 1
121 . 1 1 27 27 SER H H 1 8.448 0.014 . 1 . . . . 27 SER H . 6785 1
122 . 1 1 27 27 SER C C 13 174.205 0.380 . 1 . . . . 27 SER C . 6785 1
123 . 1 1 27 27 SER CA C 13 59.998 0.450 . 1 . . . . 27 SER CA . 6785 1
124 . 1 1 27 27 SER CB C 13 62.762 0.450 . 1 . . . . 27 SER CB . 6785 1
125 . 1 1 27 27 SER N N 15 115.907 0.470 . 1 . . . . 27 SER N . 6785 1
126 . 1 1 28 28 GLN H H 1 7.399 0.014 . 1 . . . . 28 GLN H . 6785 1
127 . 1 1 28 28 GLN C C 13 174.964 0.380 . 1 . . . . 28 GLN C . 6785 1
128 . 1 1 28 28 GLN CA C 13 53.249 0.450 . 1 . . . . 28 GLN CA . 6785 1
129 . 1 1 28 28 GLN CB C 13 32.144 0.450 . 1 . . . . 28 GLN CB . 6785 1
130 . 1 1 28 28 GLN N N 15 116.902 0.470 . 1 . . . . 28 GLN N . 6785 1
131 . 1 1 29 29 THR H H 1 8.72 0.014 . 1 . . . . 29 THR H . 6785 1
132 . 1 1 29 29 THR C C 13 173.844 0.380 . 1 . . . . 29 THR C . 6785 1
133 . 1 1 29 29 THR CA C 13 62.144 0.450 . 1 . . . . 29 THR CA . 6785 1
134 . 1 1 29 29 THR CB C 13 67.902 0.450 . 1 . . . . 29 THR CB . 6785 1
135 . 1 1 29 29 THR N N 15 117.383 0.470 . 1 . . . . 29 THR N . 6785 1
136 . 1 1 30 30 ILE H H 1 8.247 0.014 . 1 . . . . 30 ILE H . 6785 1
137 . 1 1 30 30 ILE C C 13 175.761 0.380 . 1 . . . . 30 ILE C . 6785 1
138 . 1 1 30 30 ILE CA C 13 59.2 0.450 . 1 . . . . 30 ILE CA . 6785 1
139 . 1 1 30 30 ILE CB C 13 36.777 0.450 . 1 . . . . 30 ILE CB . 6785 1
140 . 1 1 30 30 ILE N N 15 119.878 0.470 . 1 . . . . 30 ILE N . 6785 1
141 . 1 1 31 31 VAL H H 1 7.959 0.014 . 1 . . . . 31 VAL H . 6785 1
142 . 1 1 31 31 VAL C C 13 176.479 0.380 . 1 . . . . 31 VAL C . 6785 1
143 . 1 1 31 31 VAL CA C 13 63.252 0.450 . 1 . . . . 31 VAL CA . 6785 1
144 . 1 1 31 31 VAL CB C 13 30.953 0.450 . 1 . . . . 31 VAL CB . 6785 1
145 . 1 1 31 31 VAL N N 15 126.045 0.470 . 1 . . . . 31 VAL N . 6785 1
146 . 1 1 32 32 HIS H H 1 9.457 0.014 . 1 . . . . 32 HIS H . 6785 1
147 . 1 1 32 32 HIS C C 13 176.835 0.380 . 1 . . . . 32 HIS C . 6785 1
148 . 1 1 32 32 HIS CA C 13 57.926 0.450 . 1 . . . . 32 HIS CA . 6785 1
149 . 1 1 32 32 HIS CB C 13 31.556 0.450 . 1 . . . . 32 HIS CB . 6785 1
150 . 1 1 32 32 HIS N N 15 132.369 0.470 . 1 . . . . 32 HIS N . 6785 1
151 . 1 1 33 33 SER H H 1 8.001 0.014 . 1 . . . . 33 SER H . 6785 1
152 . 1 1 33 33 SER CA C 13 61.935 0.450 . 1 . . . . 33 SER CA . 6785 1
153 . 1 1 33 33 SER N N 15 125.653 0.470 . 1 . . . . 33 SER N . 6785 1
154 . 1 1 34 34 ASN C C 13 177.6 0.380 . 1 . . . . 34 ASN C . 6785 1
155 . 1 1 34 34 ASN CA C 13 53.216 0.450 . 1 . . . . 34 ASN CA . 6785 1
156 . 1 1 34 34 ASN CB C 13 36.72 0.450 . 1 . . . . 34 ASN CB . 6785 1
157 . 1 1 35 35 GLY H H 1 8.656 0.014 . 1 . . . . 35 GLY H . 6785 1
158 . 1 1 35 35 GLY C C 13 174.599 0.380 . 1 . . . . 35 GLY C . 6785 1
159 . 1 1 35 35 GLY CA C 13 44.493 0.450 . 1 . . . . 35 GLY CA . 6785 1
160 . 1 1 35 35 GLY N N 15 109.919 0.470 . 1 . . . . 35 GLY N . 6785 1
161 . 1 1 36 36 ASP H H 1 9.159 0.014 . 1 . . . . 36 ASP H . 6785 1
162 . 1 1 36 36 ASP C C 13 174.21 0.380 . 1 . . . . 36 ASP C . 6785 1
163 . 1 1 36 36 ASP CA C 13 53.526 0.450 . 1 . . . . 36 ASP CA . 6785 1
164 . 1 1 36 36 ASP CB C 13 40.78 0.450 . 1 . . . . 36 ASP CB . 6785 1
165 . 1 1 36 36 ASP N N 15 125.581 0.470 . 1 . . . . 36 ASP N . 6785 1
166 . 1 1 37 37 THR H H 1 8.123 0.014 . 1 . . . . 37 THR H . 6785 1
167 . 1 1 37 37 THR C C 13 172.786 0.380 . 1 . . . . 37 THR C . 6785 1
168 . 1 1 37 37 THR CA C 13 62.097 0.450 . 1 . . . . 37 THR CA . 6785 1
169 . 1 1 37 37 THR CB C 13 68.926 0.450 . 1 . . . . 37 THR CB . 6785 1
170 . 1 1 37 37 THR N N 15 115.547 0.470 . 1 . . . . 37 THR N . 6785 1
171 . 1 1 38 38 TYR H H 1 6.516 0.014 . 1 . . . . 38 TYR H . 6785 1
172 . 1 1 38 38 TYR C C 13 172.677 0.380 . 1 . . . . 38 TYR C . 6785 1
173 . 1 1 38 38 TYR CA C 13 57.466 0.450 . 1 . . . . 38 TYR CA . 6785 1
174 . 1 1 38 38 TYR CB C 13 32.774 0.450 . 1 . . . . 38 TYR CB . 6785 1
175 . 1 1 38 38 TYR N N 15 128.66 0.470 . 1 . . . . 38 TYR N . 6785 1
176 . 1 1 39 39 LEU H H 1 6.257 0.014 . 1 . . . . 39 LEU H . 6785 1
177 . 1 1 39 39 LEU C C 13 174.599 0.380 . 1 . . . . 39 LEU C . 6785 1
178 . 1 1 39 39 LEU CA C 13 50.423 0.450 . 1 . . . . 39 LEU CA . 6785 1
179 . 1 1 39 39 LEU CB C 13 41.194 0.450 . 1 . . . . 39 LEU CB . 6785 1
180 . 1 1 39 39 LEU N N 15 125.305 0.470 . 1 . . . . 39 LEU N . 6785 1
181 . 1 1 40 40 ASP H H 1 9.281 0.014 . 1 . . . . 40 ASP H . 6785 1
182 . 1 1 40 40 ASP C C 13 174.608 0.380 . 1 . . . . 40 ASP C . 6785 1
183 . 1 1 40 40 ASP CA C 13 51.589 0.450 . 1 . . . . 40 ASP CA . 6785 1
184 . 1 1 40 40 ASP CB C 13 44.781 0.450 . 1 . . . . 40 ASP CB . 6785 1
185 . 1 1 40 40 ASP N N 15 126.245 0.470 . 1 . . . . 40 ASP N . 6785 1
186 . 1 1 41 41 TRP H H 1 9.032 0.014 . 1 . . . . 41 TRP H . 6785 1
187 . 1 1 41 41 TRP HE1 H 1 11.047 0.014 . 1 . . . . 41 TRP HE1 . 6785 1
188 . 1 1 41 41 TRP C C 13 175.368 0.380 . 1 . . . . 41 TRP C . 6785 1
189 . 1 1 41 41 TRP CA C 13 55.652 0.450 . 1 . . . . 41 TRP CA . 6785 1
190 . 1 1 41 41 TRP CB C 13 33.801 0.450 . 1 . . . . 41 TRP CB . 6785 1
191 . 1 1 41 41 TRP N N 15 116.812 0.470 . 1 . . . . 41 TRP N . 6785 1
192 . 1 1 41 41 TRP NE1 N 15 133.733 0.470 . 1 . . . . 41 TRP NE1 . 6785 1
193 . 1 1 42 42 PHE H H 1 9.683 0.014 . 1 . . . . 42 PHE H . 6785 1
194 . 1 1 42 42 PHE C C 13 174.223 0.380 . 1 . . . . 42 PHE C . 6785 1
195 . 1 1 42 42 PHE CA C 13 56.695 0.450 . 1 . . . . 42 PHE CA . 6785 1
196 . 1 1 42 42 PHE CB C 13 44.07 0.450 . 1 . . . . 42 PHE CB . 6785 1
197 . 1 1 42 42 PHE N N 15 118.817 0.470 . 1 . . . . 42 PHE N . 6785 1
198 . 1 1 43 43 LEU H H 1 8.892 0.014 . 1 . . . . 43 LEU H . 6785 1
199 . 1 1 43 43 LEU C C 13 175.344 0.380 . 1 . . . . 43 LEU C . 6785 1
200 . 1 1 43 43 LEU CA C 13 52.83 0.450 . 1 . . . . 43 LEU CA . 6785 1
201 . 1 1 43 43 LEU CB C 13 44.382 0.450 . 1 . . . . 43 LEU CB . 6785 1
202 . 1 1 43 43 LEU N N 15 122.507 0.470 . 1 . . . . 43 LEU N . 6785 1
203 . 1 1 44 44 GLN H H 1 10.055 0.014 . 1 . . . . 44 GLN H . 6785 1
204 . 1 1 44 44 GLN C C 13 174.964 0.380 . 1 . . . . 44 GLN C . 6785 1
205 . 1 1 44 44 GLN CA C 13 54.136 0.450 . 1 . . . . 44 GLN CA . 6785 1
206 . 1 1 44 44 GLN CB C 13 31.072 0.450 . 1 . . . . 44 GLN CB . 6785 1
207 . 1 1 44 44 GLN N N 15 130.106 0.470 . 1 . . . . 44 GLN N . 6785 1
208 . 1 1 45 45 LYS H H 1 8.751 0.014 . 1 . . . . 45 LYS H . 6785 1
209 . 1 1 45 45 LYS CA C 13 54.192 0.450 . 1 . . . . 45 LYS CA . 6785 1
210 . 1 1 45 45 LYS CB C 13 30.311 0.450 . 1 . . . . 45 LYS CB . 6785 1
211 . 1 1 45 45 LYS N N 15 132.539 0.470 . 1 . . . . 45 LYS N . 6785 1
212 . 1 1 46 46 PRO C C 13 178.373 0.380 . 1 . . . . 46 PRO C . 6785 1
213 . 1 1 46 46 PRO CA C 13 63.873 0.450 . 1 . . . . 46 PRO CA . 6785 1
214 . 1 1 46 46 PRO CB C 13 30.746 0.450 . 1 . . . . 46 PRO CB . 6785 1
215 . 1 1 47 47 GLY H H 1 8.693 0.014 . 1 . . . . 47 GLY H . 6785 1
216 . 1 1 47 47 GLY C C 13 173.851 0.380 . 1 . . . . 47 GLY C . 6785 1
217 . 1 1 47 47 GLY CA C 13 45.355 0.450 . 1 . . . . 47 GLY CA . 6785 1
218 . 1 1 47 47 GLY N N 15 113.285 0.470 . 1 . . . . 47 GLY N . 6785 1
219 . 1 1 48 48 GLN H H 1 7.97 0.014 . 1 . . . . 48 GLN H . 6785 1
220 . 1 1 48 48 GLN C C 13 175.904 0.380 . 1 . . . . 48 GLN C . 6785 1
221 . 1 1 48 48 GLN CA C 13 53.413 0.450 . 1 . . . . 48 GLN CA . 6785 1
222 . 1 1 48 48 GLN CB C 13 31.308 0.450 . 1 . . . . 48 GLN CB . 6785 1
223 . 1 1 48 48 GLN N N 15 118.764 0.470 . 1 . . . . 48 GLN N . 6785 1
224 . 1 1 49 49 SER H H 1 8.535 0.014 . 1 . . . . 49 SER H . 6785 1
225 . 1 1 49 49 SER CA C 13 56.288 0.450 . 1 . . . . 49 SER CA . 6785 1
226 . 1 1 49 49 SER CB C 13 61.185 0.450 . 1 . . . . 49 SER CB . 6785 1
227 . 1 1 49 49 SER N N 15 116.358 0.470 . 1 . . . . 49 SER N . 6785 1
228 . 1 1 50 50 PRO C C 13 173.084 0.380 . 1 . . . . 50 PRO C . 6785 1
229 . 1 1 50 50 PRO CA C 13 62.315 0.450 . 1 . . . . 50 PRO CA . 6785 1
230 . 1 1 50 50 PRO CB C 13 30.183 0.450 . 1 . . . . 50 PRO CB . 6785 1
231 . 1 1 51 51 LYS H H 1 8.296 0.014 . 1 . . . . 51 LYS H . 6785 1
232 . 1 1 51 51 LYS C C 13 175.326 0.380 . 1 . . . . 51 LYS C . 6785 1
233 . 1 1 51 51 LYS CA C 13 54.11 0.450 . 1 . . . . 51 LYS CA . 6785 1
234 . 1 1 51 51 LYS CB C 13 34.565 0.450 . 1 . . . . 51 LYS CB . 6785 1
235 . 1 1 51 51 LYS N N 15 118.892 0.470 . 1 . . . . 51 LYS N . 6785 1
236 . 1 1 52 52 LEU H H 1 8.63 0.014 . 1 . . . . 52 LEU H . 6785 1
237 . 1 1 52 52 LEU C C 13 174.981 0.380 . 1 . . . . 52 LEU C . 6785 1
238 . 1 1 52 52 LEU CA C 13 55.784 0.450 . 1 . . . . 52 LEU CA . 6785 1
239 . 1 1 52 52 LEU CB C 13 40.919 0.450 . 1 . . . . 52 LEU CB . 6785 1
240 . 1 1 52 52 LEU N N 15 127.685 0.470 . 1 . . . . 52 LEU N . 6785 1
241 . 1 1 53 53 LEU H H 1 8.765 0.014 . 1 . . . . 53 LEU H . 6785 1
242 . 1 1 53 53 LEU C C 13 176.097 0.380 . 1 . . . . 53 LEU C . 6785 1
243 . 1 1 53 53 LEU CA C 13 53.948 0.450 . 1 . . . . 53 LEU CA . 6785 1
244 . 1 1 53 53 LEU CB C 13 44.792 0.450 . 1 . . . . 53 LEU CB . 6785 1
245 . 1 1 53 53 LEU N N 15 123.474 0.470 . 1 . . . . 53 LEU N . 6785 1
246 . 1 1 54 54 ILE H H 1 7.008 0.014 . 1 . . . . 54 ILE H . 6785 1
247 . 1 1 54 54 ILE C C 13 173.478 0.380 . 1 . . . . 54 ILE C . 6785 1
248 . 1 1 54 54 ILE CA C 13 56.333 0.450 . 1 . . . . 54 ILE CA . 6785 1
249 . 1 1 54 54 ILE CB C 13 41.857 0.450 . 1 . . . . 54 ILE CB . 6785 1
250 . 1 1 54 54 ILE N N 15 118.773 0.470 . 1 . . . . 54 ILE N . 6785 1
251 . 1 1 55 55 TYR H H 1 9.169 0.014 . 1 . . . . 55 TYR H . 6785 1
252 . 1 1 55 55 TYR C C 13 174.975 0.380 . 1 . . . . 55 TYR C . 6785 1
253 . 1 1 55 55 TYR CA C 13 53.35 0.450 . 1 . . . . 55 TYR CA . 6785 1
254 . 1 1 55 55 TYR CB C 13 41.782 0.450 . 1 . . . . 55 TYR CB . 6785 1
255 . 1 1 55 55 TYR N N 15 122.919 0.470 . 1 . . . . 55 TYR N . 6785 1
256 . 1 1 56 56 LYS H H 1 9.149 0.014 . 1 . . . . 56 LYS H . 6785 1
257 . 1 1 56 56 LYS C C 13 177.601 0.380 . 1 . . . . 56 LYS C . 6785 1
258 . 1 1 56 56 LYS CA C 13 57.137 0.450 . 1 . . . . 56 LYS CA . 6785 1
259 . 1 1 56 56 LYS CB C 13 31.328 0.450 . 1 . . . . 56 LYS CB . 6785 1
260 . 1 1 56 56 LYS N N 15 125.281 0.470 . 1 . . . . 56 LYS N . 6785 1
261 . 1 1 57 57 VAL H H 1 10.143 0.014 . 1 . . . . 57 VAL H . 6785 1
262 . 1 1 57 57 VAL C C 13 178.398 0.380 . 1 . . . . 57 VAL C . 6785 1
263 . 1 1 57 57 VAL CA C 13 69.017 0.450 . 1 . . . . 57 VAL CA . 6785 1
264 . 1 1 57 57 VAL CB C 13 29.3 0.450 . 1 . . . . 57 VAL CB . 6785 1
265 . 1 1 57 57 VAL N N 15 116.061 0.470 . 1 . . . . 57 VAL N . 6785 1
266 . 1 1 58 58 SER H H 1 8.576 0.014 . 1 . . . . 58 SER H . 6785 1
267 . 1 1 58 58 SER C C 13 175.349 0.380 . 1 . . . . 58 SER C . 6785 1
268 . 1 1 58 58 SER CA C 13 57.329 0.450 . 1 . . . . 58 SER CA . 6785 1
269 . 1 1 58 58 SER CB C 13 66.454 0.450 . 1 . . . . 58 SER CB . 6785 1
270 . 1 1 58 58 SER N N 15 109.99 0.470 . 1 . . . . 58 SER N . 6785 1
271 . 1 1 59 59 ASN H H 1 7.993 0.014 . 1 . . . . 59 ASN H . 6785 1
272 . 1 1 59 59 ASN C C 13 172.7 0.380 . 1 . . . . 59 ASN C . 6785 1
273 . 1 1 59 59 ASN CA C 13 52.919 0.450 . 1 . . . . 59 ASN CA . 6785 1
274 . 1 1 59 59 ASN CB C 13 37.724 0.450 . 1 . . . . 59 ASN CB . 6785 1
275 . 1 1 59 59 ASN N N 15 123.109 0.470 . 1 . . . . 59 ASN N . 6785 1
276 . 1 1 60 60 ARG H H 1 8.929 0.014 . 1 . . . . 60 ARG H . 6785 1
277 . 1 1 60 60 ARG C C 13 176.844 0.380 . 1 . . . . 60 ARG C . 6785 1
278 . 1 1 60 60 ARG CA C 13 56.814 0.450 . 1 . . . . 60 ARG CA . 6785 1
279 . 1 1 60 60 ARG CB C 13 30.142 0.450 . 1 . . . . 60 ARG CB . 6785 1
280 . 1 1 60 60 ARG N N 15 125.053 0.470 . 1 . . . . 60 ARG N . 6785 1
281 . 1 1 61 61 PHE H H 1 8.337 0.014 . 1 . . . . 61 PHE H . 6785 1
282 . 1 1 61 61 PHE C C 13 173.85 0.380 . 1 . . . . 61 PHE C . 6785 1
283 . 1 1 61 61 PHE CA C 13 56.822 0.450 . 1 . . . . 61 PHE CA . 6785 1
284 . 1 1 61 61 PHE CB C 13 39.196 0.450 . 1 . . . . 61 PHE CB . 6785 1
285 . 1 1 61 61 PHE N N 15 127.223 0.470 . 1 . . . . 61 PHE N . 6785 1
286 . 1 1 62 62 SER H H 1 6.346 0.014 . 1 . . . . 62 SER H . 6785 1
287 . 1 1 62 62 SER C C 13 174.969 0.380 . 1 . . . . 62 SER C . 6785 1
288 . 1 1 62 62 SER CA C 13 59.211 0.450 . 1 . . . . 62 SER CA . 6785 1
289 . 1 1 62 62 SER CB C 13 62.546 0.450 . 1 . . . . 62 SER CB . 6785 1
290 . 1 1 62 62 SER N N 15 120.515 0.470 . 1 . . . . 62 SER N . 6785 1
291 . 1 1 63 63 GLY H H 1 8.707 0.014 . 1 . . . . 63 GLY H . 6785 1
292 . 1 1 63 63 GLY C C 13 174.603 0.380 . 1 . . . . 63 GLY C . 6785 1
293 . 1 1 63 63 GLY CA C 13 44.888 0.450 . 1 . . . . 63 GLY CA . 6785 1
294 . 1 1 63 63 GLY N N 15 114.725 0.470 . 1 . . . . 63 GLY N . 6785 1
295 . 1 1 64 64 VAL H H 1 7.895 0.014 . 1 . . . . 64 VAL H . 6785 1
296 . 1 1 64 64 VAL CA C 13 60.293 0.450 . 1 . . . . 64 VAL CA . 6785 1
297 . 1 1 64 64 VAL CB C 13 32.148 0.450 . 1 . . . . 64 VAL CB . 6785 1
298 . 1 1 64 64 VAL N N 15 126.012 0.470 . 1 . . . . 64 VAL N . 6785 1
299 . 1 1 65 65 PRO C C 13 176.854 0.380 . 1 . . . . 65 PRO C . 6785 1
300 . 1 1 65 65 PRO CA C 13 62.866 0.450 . 1 . . . . 65 PRO CA . 6785 1
301 . 1 1 65 65 PRO CB C 13 32.918 0.450 . 1 . . . . 65 PRO CB . 6785 1
302 . 1 1 66 66 ASP H H 1 8.573 0.014 . 1 . . . . 66 ASP H . 6785 1
303 . 1 1 66 66 ASP C C 13 176.094 0.380 . 1 . . . . 66 ASP C . 6785 1
304 . 1 1 66 66 ASP CA C 13 55.222 0.450 . 1 . . . . 66 ASP CA . 6785 1
305 . 1 1 66 66 ASP CB C 13 39.194 0.450 . 1 . . . . 66 ASP CB . 6785 1
306 . 1 1 66 66 ASP N N 15 119.148 0.470 . 1 . . . . 66 ASP N . 6785 1
307 . 1 1 67 67 ARG H H 1 6.901 0.014 . 1 . . . . 67 ARG H . 6785 1
308 . 1 1 67 67 ARG C C 13 176.092 0.380 . 1 . . . . 67 ARG C . 6785 1
309 . 1 1 67 67 ARG CA C 13 56.231 0.450 . 1 . . . . 67 ARG CA . 6785 1
310 . 1 1 67 67 ARG CB C 13 29.308 0.450 . 1 . . . . 67 ARG CB . 6785 1
311 . 1 1 67 67 ARG N N 15 114.585 0.470 . 1 . . . . 67 ARG N . 6785 1
312 . 1 1 68 68 PHE H H 1 7.714 0.014 . 1 . . . . 68 PHE H . 6785 1
313 . 1 1 68 68 PHE C C 13 174.97 0.380 . 1 . . . . 68 PHE C . 6785 1
314 . 1 1 68 68 PHE CA C 13 57.713 0.450 . 1 . . . . 68 PHE CA . 6785 1
315 . 1 1 68 68 PHE CB C 13 40.075 0.450 . 1 . . . . 68 PHE CB . 6785 1
316 . 1 1 68 68 PHE N N 15 120.174 0.470 . 1 . . . . 68 PHE N . 6785 1
317 . 1 1 69 69 SER H H 1 9.022 0.014 . 1 . . . . 69 SER H . 6785 1
318 . 1 1 69 69 SER C C 13 172.334 0.380 . 1 . . . . 69 SER C . 6785 1
319 . 1 1 69 69 SER CA C 13 56.97 0.450 . 1 . . . . 69 SER CA . 6785 1
320 . 1 1 69 69 SER CB C 13 65.489 0.450 . 1 . . . . 69 SER CB . 6785 1
321 . 1 1 69 69 SER N N 15 115.396 0.470 . 1 . . . . 69 SER N . 6785 1
322 . 1 1 70 70 GLY H H 1 8.944 0.014 . 1 . . . . 70 GLY H . 6785 1
323 . 1 1 70 70 GLY C C 13 172.727 0.380 . 1 . . . . 70 GLY C . 6785 1
324 . 1 1 70 70 GLY CA C 13 43.565 0.450 . 1 . . . . 70 GLY CA . 6785 1
325 . 1 1 70 70 GLY N N 15 110.844 0.470 . 1 . . . . 70 GLY N . 6785 1
326 . 1 1 71 71 SER H H 1 8.952 0.014 . 1 . . . . 71 SER H . 6785 1
327 . 1 1 71 71 SER C C 13 173.875 0.380 . 1 . . . . 71 SER C . 6785 1
328 . 1 1 71 71 SER CA C 13 57.06 0.450 . 1 . . . . 71 SER CA . 6785 1
329 . 1 1 71 71 SER CB C 13 65.893 0.450 . 1 . . . . 71 SER CB . 6785 1
330 . 1 1 71 71 SER N N 15 115.232 0.470 . 1 . . . . 71 SER N . 6785 1
331 . 1 1 72 72 GLY H H 1 8.463 0.014 . 1 . . . . 72 GLY H . 6785 1
332 . 1 1 72 72 GLY C C 13 172.338 0.380 . 1 . . . . 72 GLY C . 6785 1
333 . 1 1 72 72 GLY CA C 13 45.078 0.450 . 1 . . . . 72 GLY CA . 6785 1
334 . 1 1 72 72 GLY N N 15 109.879 0.470 . 1 . . . . 72 GLY N . 6785 1
335 . 1 1 73 73 SER H H 1 7.502 0.014 . 1 . . . . 73 SER H . 6785 1
336 . 1 1 73 73 SER C C 13 174.978 0.380 . 1 . . . . 73 SER C . 6785 1
337 . 1 1 73 73 SER CA C 13 57.575 0.450 . 1 . . . . 73 SER CA . 6785 1
338 . 1 1 73 73 SER CB C 13 64.003 0.450 . 1 . . . . 73 SER CB . 6785 1
339 . 1 1 73 73 SER N N 15 110.605 0.470 . 1 . . . . 73 SER N . 6785 1
340 . 1 1 74 74 GLY H H 1 9.046 0.014 . 1 . . . . 74 GLY H . 6785 1
341 . 1 1 74 74 GLY C C 13 171.976 0.380 . 1 . . . . 74 GLY C . 6785 1
342 . 1 1 74 74 GLY CA C 13 48.296 0.450 . 1 . . . . 74 GLY CA . 6785 1
343 . 1 1 74 74 GLY N N 15 112.112 0.470 . 1 . . . . 74 GLY N . 6785 1
344 . 1 1 75 75 THR H H 1 8.1 0.014 . 1 . . . . 75 THR H . 6785 1
345 . 1 1 75 75 THR C C 13 173.858 0.380 . 1 . . . . 75 THR C . 6785 1
346 . 1 1 75 75 THR CA C 13 60.305 0.450 . 1 . . . . 75 THR CA . 6785 1
347 . 1 1 75 75 THR CB C 13 70.723 0.450 . 1 . . . . 75 THR CB . 6785 1
348 . 1 1 75 75 THR N N 15 116.646 0.470 . 1 . . . . 75 THR N . 6785 1
349 . 1 1 76 76 ASP H H 1 7.079 0.014 . 1 . . . . 76 ASP H . 6785 1
350 . 1 1 76 76 ASP C C 13 173.48 0.380 . 1 . . . . 76 ASP C . 6785 1
351 . 1 1 76 76 ASP CA C 13 53.97 0.450 . 1 . . . . 76 ASP CA . 6785 1
352 . 1 1 76 76 ASP CB C 13 43.579 0.450 . 1 . . . . 76 ASP CB . 6785 1
353 . 1 1 76 76 ASP N N 15 122.625 0.470 . 1 . . . . 76 ASP N . 6785 1
354 . 1 1 77 77 PHE H H 1 8.865 0.014 . 1 . . . . 77 PHE H . 6785 1
355 . 1 1 77 77 PHE C C 13 175.71 0.380 . 1 . . . . 77 PHE C . 6785 1
356 . 1 1 77 77 PHE CA C 13 56.969 0.450 . 1 . . . . 77 PHE CA . 6785 1
357 . 1 1 77 77 PHE CB C 13 42.148 0.450 . 1 . . . . 77 PHE CB . 6785 1
358 . 1 1 77 77 PHE N N 15 122.904 0.470 . 1 . . . . 77 PHE N . 6785 1
359 . 1 1 78 78 THR H H 1 8.916 0.014 . 1 . . . . 78 THR H . 6785 1
360 . 1 1 78 78 THR C C 13 171.963 0.380 . 1 . . . . 78 THR C . 6785 1
361 . 1 1 78 78 THR CA C 13 61.437 0.450 . 1 . . . . 78 THR CA . 6785 1
362 . 1 1 78 78 THR CB C 13 72.471 0.450 . 1 . . . . 78 THR CB . 6785 1
363 . 1 1 78 78 THR N N 15 118.612 0.470 . 1 . . . . 78 THR N . 6785 1
364 . 1 1 79 79 LEU H H 1 8.67 0.014 . 1 . . . . 79 LEU H . 6785 1
365 . 1 1 79 79 LEU C C 13 173.834 0.380 . 1 . . . . 79 LEU C . 6785 1
366 . 1 1 79 79 LEU CA C 13 52.829 0.450 . 1 . . . . 79 LEU CA . 6785 1
367 . 1 1 79 79 LEU CB C 13 40.257 0.450 . 1 . . . . 79 LEU CB . 6785 1
368 . 1 1 79 79 LEU N N 15 130.389 0.470 . 1 . . . . 79 LEU N . 6785 1
369 . 1 1 80 80 LYS H H 1 8.971 0.014 . 1 . . . . 80 LYS H . 6785 1
370 . 1 1 80 80 LYS C C 13 174.982 0.380 . 1 . . . . 80 LYS C . 6785 1
371 . 1 1 80 80 LYS CA C 13 53.978 0.450 . 1 . . . . 80 LYS CA . 6785 1
372 . 1 1 80 80 LYS CB C 13 34.656 0.450 . 1 . . . . 80 LYS CB . 6785 1
373 . 1 1 80 80 LYS N N 15 126.643 0.470 . 1 . . . . 80 LYS N . 6785 1
374 . 1 1 81 81 ILE H H 1 8.644 0.014 . 1 . . . . 81 ILE H . 6785 1
375 . 1 1 81 81 ILE C C 13 177.23 0.380 . 1 . . . . 81 ILE C . 6785 1
376 . 1 1 81 81 ILE CA C 13 59.338 0.450 . 1 . . . . 81 ILE CA . 6785 1
377 . 1 1 81 81 ILE CB C 13 38.422 0.450 . 1 . . . . 81 ILE CB . 6785 1
378 . 1 1 81 81 ILE N N 15 123.877 0.470 . 1 . . . . 81 ILE N . 6785 1
379 . 1 1 82 82 SER H H 1 9.042 0.014 . 1 . . . . 82 SER H . 6785 1
380 . 1 1 82 82 SER C C 13 174.208 0.380 . 1 . . . . 82 SER C . 6785 1
381 . 1 1 82 82 SER CA C 13 60.392 0.450 . 1 . . . . 82 SER CA . 6785 1
382 . 1 1 82 82 SER CB C 13 62.567 0.450 . 1 . . . . 82 SER CB . 6785 1
383 . 1 1 82 82 SER N N 15 122.454 0.470 . 1 . . . . 82 SER N . 6785 1
384 . 1 1 83 83 ARG H H 1 6.469 0.014 . 1 . . . . 83 ARG H . 6785 1
385 . 1 1 83 83 ARG C C 13 173.891 0.380 . 1 . . . . 83 ARG C . 6785 1
386 . 1 1 83 83 ARG CA C 13 55.154 0.450 . 1 . . . . 83 ARG CA . 6785 1
387 . 1 1 83 83 ARG CB C 13 30.482 0.450 . 1 . . . . 83 ARG CB . 6785 1
388 . 1 1 83 83 ARG N N 15 119.698 0.470 . 1 . . . . 83 ARG N . 6785 1
389 . 1 1 84 84 VAL H H 1 8.679 0.014 . 1 . . . . 84 VAL H . 6785 1
390 . 1 1 84 84 VAL C C 13 176.468 0.380 . 1 . . . . 84 VAL C . 6785 1
391 . 1 1 84 84 VAL CA C 13 63.824 0.450 . 1 . . . . 84 VAL CA . 6785 1
392 . 1 1 84 84 VAL CB C 13 31.871 0.450 . 1 . . . . 84 VAL CB . 6785 1
393 . 1 1 84 84 VAL N N 15 124.389 0.470 . 1 . . . . 84 VAL N . 6785 1
394 . 1 1 85 85 GLU H H 1 9.295 0.014 . 1 . . . . 85 GLU H . 6785 1
395 . 1 1 85 85 GLU C C 13 177.226 0.380 . 1 . . . . 85 GLU C . 6785 1
396 . 1 1 85 85 GLU CA C 13 53.574 0.450 . 1 . . . . 85 GLU CA . 6785 1
397 . 1 1 85 85 GLU CB C 13 31.132 0.450 . 1 . . . . 85 GLU CB . 6785 1
398 . 1 1 85 85 GLU N N 15 130.006 0.470 . 1 . . . . 85 GLU N . 6785 1
399 . 1 1 86 86 ALA H H 1 9.127 0.014 . 1 . . . . 86 ALA H . 6785 1
400 . 1 1 86 86 ALA C C 13 180.588 0.380 . 1 . . . . 86 ALA C . 6785 1
401 . 1 1 86 86 ALA CA C 13 55.337 0.450 . 1 . . . . 86 ALA CA . 6785 1
402 . 1 1 86 86 ALA CB C 13 16.828 0.450 . 1 . . . . 86 ALA CB . 6785 1
403 . 1 1 86 86 ALA N N 15 124.567 0.470 . 1 . . . . 86 ALA N . 6785 1
404 . 1 1 87 87 GLU H H 1 8.523 0.014 . 1 . . . . 87 GLU H . 6785 1
405 . 1 1 87 87 GLU C C 13 176.081 0.380 . 1 . . . . 87 GLU C . 6785 1
406 . 1 1 87 87 GLU CA C 13 57.253 0.450 . 1 . . . . 87 GLU CA . 6785 1
407 . 1 1 87 87 GLU CB C 13 28.276 0.450 . 1 . . . . 87 GLU CB . 6785 1
408 . 1 1 87 87 GLU N N 15 114.506 0.470 . 1 . . . . 87 GLU N . 6785 1
409 . 1 1 88 88 ASP H H 1 8.088 0.014 . 1 . . . . 88 ASP H . 6785 1
410 . 1 1 88 88 ASP C C 13 176.849 0.380 . 1 . . . . 88 ASP C . 6785 1
411 . 1 1 88 88 ASP CA C 13 53.955 0.450 . 1 . . . . 88 ASP CA . 6785 1
412 . 1 1 88 88 ASP CB C 13 40.61 0.450 . 1 . . . . 88 ASP CB . 6785 1
413 . 1 1 88 88 ASP N N 15 121.11 0.470 . 1 . . . . 88 ASP N . 6785 1
414 . 1 1 89 89 LEU H H 1 7.086 0.014 . 1 . . . . 89 LEU H . 6785 1
415 . 1 1 89 89 LEU C C 13 176.099 0.380 . 1 . . . . 89 LEU C . 6785 1
416 . 1 1 89 89 LEU CA C 13 55.804 0.450 . 1 . . . . 89 LEU CA . 6785 1
417 . 1 1 89 89 LEU CB C 13 40.017 0.450 . 1 . . . . 89 LEU CB . 6785 1
418 . 1 1 89 89 LEU N N 15 118.553 0.470 . 1 . . . . 89 LEU N . 6785 1
419 . 1 1 90 90 GLY H H 1 7.664 0.014 . 1 . . . . 90 GLY H . 6785 1
420 . 1 1 90 90 GLY C C 13 170.462 0.380 . 1 . . . . 90 GLY C . 6785 1
421 . 1 1 90 90 GLY CA C 13 44.12 0.450 . 1 . . . . 90 GLY CA . 6785 1
422 . 1 1 90 90 GLY N N 15 108.612 0.470 . 1 . . . . 90 GLY N . 6785 1
423 . 1 1 91 91 VAL H H 1 8.038 0.014 . 1 . . . . 91 VAL H . 6785 1
424 . 1 1 91 91 VAL C C 13 174.219 0.380 . 1 . . . . 91 VAL C . 6785 1
425 . 1 1 91 91 VAL CA C 13 60.987 0.450 . 1 . . . . 91 VAL CA . 6785 1
426 . 1 1 91 91 VAL CB C 13 32.55 0.450 . 1 . . . . 91 VAL CB . 6785 1
427 . 1 1 91 91 VAL N N 15 120.745 0.470 . 1 . . . . 91 VAL N . 6785 1
428 . 1 1 92 92 TYR H H 1 9.131 0.014 . 1 . . . . 92 TYR H . 6785 1
429 . 1 1 92 92 TYR C C 13 177.604 0.380 . 1 . . . . 92 TYR C . 6785 1
430 . 1 1 92 92 TYR CA C 13 56.467 0.450 . 1 . . . . 92 TYR CA . 6785 1
431 . 1 1 92 92 TYR CB C 13 41.513 0.450 . 1 . . . . 92 TYR CB . 6785 1
432 . 1 1 92 92 TYR N N 15 126.933 0.470 . 1 . . . . 92 TYR N . 6785 1
433 . 1 1 93 93 TYR H H 1 9.917 0.014 . 1 . . . . 93 TYR H . 6785 1
434 . 1 1 93 93 TYR C C 13 176.11 0.380 . 1 . . . . 93 TYR C . 6785 1
435 . 1 1 93 93 TYR CA C 13 57.21 0.450 . 1 . . . . 93 TYR CA . 6785 1
436 . 1 1 93 93 TYR CB C 13 42.739 0.450 . 1 . . . . 93 TYR CB . 6785 1
437 . 1 1 93 93 TYR N N 15 121.975 0.470 . 1 . . . . 93 TYR N . 6785 1
438 . 1 1 94 94 CYS H H 1 7.833 0.014 . 1 . . . . 94 CYS H . 6785 1
439 . 1 1 94 94 CYS C C 13 173.438 0.380 . 1 . . . . 94 CYS C . 6785 1
440 . 1 1 94 94 CYS CA C 13 53.417 0.450 . 1 . . . . 94 CYS CA . 6785 1
441 . 1 1 94 94 CYS CB C 13 44.658 0.450 . 1 . . . . 94 CYS CB . 6785 1
442 . 1 1 94 94 CYS N N 15 116.956 0.470 . 1 . . . . 94 CYS N . 6785 1
443 . 1 1 95 95 PHE H H 1 8.788 0.014 . 1 . . . . 95 PHE H . 6785 1
444 . 1 1 95 95 PHE C C 13 172.234 0.380 . 1 . . . . 95 PHE C . 6785 1
445 . 1 1 95 95 PHE CA C 13 56.026 0.450 . 1 . . . . 95 PHE CA . 6785 1
446 . 1 1 95 95 PHE CB C 13 42.939 0.450 . 1 . . . . 95 PHE CB . 6785 1
447 . 1 1 95 95 PHE N N 15 124.21 0.470 . 1 . . . . 95 PHE N . 6785 1
448 . 1 1 96 96 GLN H H 1 8.549 0.014 . 1 . . . . 96 GLN H . 6785 1
449 . 1 1 96 96 GLN C C 13 172.718 0.380 . 1 . . . . 96 GLN C . 6785 1
450 . 1 1 96 96 GLN CA C 13 50.277 0.450 . 1 . . . . 96 GLN CA . 6785 1
451 . 1 1 96 96 GLN CB C 13 28.798 0.450 . 1 . . . . 96 GLN CB . 6785 1
452 . 1 1 96 96 GLN N N 15 125.453 0.470 . 1 . . . . 96 GLN N . 6785 1
453 . 1 1 97 97 GLY H H 1 8.845 0.014 . 1 . . . . 97 GLY H . 6785 1
454 . 1 1 97 97 GLY C C 13 176.098 0.380 . 1 . . . . 97 GLY C . 6785 1
455 . 1 1 97 97 GLY CA C 13 43.254 0.450 . 1 . . . . 97 GLY CA . 6785 1
456 . 1 1 97 97 GLY N N 15 108.672 0.470 . 1 . . . . 97 GLY N . 6785 1
457 . 1 1 98 98 SER H H 1 7.977 0.014 . 1 . . . . 98 SER H . 6785 1
458 . 1 1 98 98 SER C C 13 172.731 0.380 . 1 . . . . 98 SER C . 6785 1
459 . 1 1 98 98 SER CA C 13 60.502 0.450 . 1 . . . . 98 SER CA . 6785 1
460 . 1 1 98 98 SER CB C 13 65.369 0.450 . 1 . . . . 98 SER CB . 6785 1
461 . 1 1 98 98 SER N N 15 120.212 0.470 . 1 . . . . 98 SER N . 6785 1
462 . 1 1 99 99 HIS H H 1 8.69 0.014 . 1 . . . . 99 HIS H . 6785 1
463 . 1 1 99 99 HIS C C 13 173.48 0.380 . 1 . . . . 99 HIS C . 6785 1
464 . 1 1 99 99 HIS CA C 13 53.035 0.450 . 1 . . . . 99 HIS CA . 6785 1
465 . 1 1 99 99 HIS CB C 13 31.872 0.450 . 1 . . . . 99 HIS CB . 6785 1
466 . 1 1 99 99 HIS N N 15 119.095 0.470 . 1 . . . . 99 HIS N . 6785 1
467 . 1 1 100 100 VAL H H 1 8.14 0.014 . 1 . . . . 100 VAL H . 6785 1
468 . 1 1 100 100 VAL CA C 13 59.759 0.450 . 1 . . . . 100 VAL CA . 6785 1
469 . 1 1 100 100 VAL CB C 13 31.396 0.450 . 1 . . . . 100 VAL CB . 6785 1
470 . 1 1 100 100 VAL N N 15 121.676 0.470 . 1 . . . . 100 VAL N . 6785 1
471 . 1 1 102 102 PRO C C 13 175.732 0.380 . 1 . . . . 102 PRO C . 6785 1
472 . 1 1 102 102 PRO CA C 13 62.831 0.450 . 1 . . . . 102 PRO CA . 6785 1
473 . 1 1 103 103 THR H H 1 7.612 0.014 . 1 . . . . 103 THR H . 6785 1
474 . 1 1 103 103 THR C C 13 171.986 0.380 . 1 . . . . 103 THR C . 6785 1
475 . 1 1 103 103 THR CA C 13 60.376 0.450 . 1 . . . . 103 THR CA . 6785 1
476 . 1 1 103 103 THR CB C 13 73.754 0.450 . 1 . . . . 103 THR CB . 6785 1
477 . 1 1 103 103 THR N N 15 113.12 0.470 . 1 . . . . 103 THR N . 6785 1
478 . 1 1 104 104 PHE H H 1 9.454 0.014 . 1 . . . . 104 PHE H . 6785 1
479 . 1 1 104 104 PHE C C 13 179.11 0.380 . 1 . . . . 104 PHE C . 6785 1
480 . 1 1 104 104 PHE CA C 13 56.87 0.450 . 1 . . . . 104 PHE CA . 6785 1
481 . 1 1 104 104 PHE CB C 13 42.022 0.450 . 1 . . . . 104 PHE CB . 6785 1
482 . 1 1 104 104 PHE N N 15 121.197 0.470 . 1 . . . . 104 PHE N . 6785 1
483 . 1 1 105 105 GLY H H 1 9.281 0.014 . 1 . . . . 105 GLY H . 6785 1
484 . 1 1 105 105 GLY C C 13 174.837 0.380 . 1 . . . . 105 GLY C . 6785 1
485 . 1 1 105 105 GLY CA C 13 44.5 0.450 . 1 . . . . 105 GLY CA . 6785 1
486 . 1 1 105 105 GLY N N 15 108.877 0.470 . 1 . . . . 105 GLY N . 6785 1
487 . 1 1 106 106 GLY H H 1 8.409 0.014 . 1 . . . . 106 GLY H . 6785 1
488 . 1 1 106 106 GLY C C 13 174.978 0.380 . 1 . . . . 106 GLY C . 6785 1
489 . 1 1 106 106 GLY CA C 13 46.134 0.450 . 1 . . . . 106 GLY CA . 6785 1
490 . 1 1 106 106 GLY N N 15 104.863 0.470 . 1 . . . . 106 GLY N . 6785 1
491 . 1 1 107 107 GLY H H 1 7.029 0.014 . 1 . . . . 107 GLY H . 6785 1
492 . 1 1 107 107 GLY C C 13 173.086 0.380 . 1 . . . . 107 GLY C . 6785 1
493 . 1 1 107 107 GLY CA C 13 44.131 0.450 . 1 . . . . 107 GLY CA . 6785 1
494 . 1 1 107 107 GLY N N 15 107.273 0.470 . 1 . . . . 107 GLY N . 6785 1
495 . 1 1 108 108 THR H H 1 8.33 0.014 . 1 . . . . 108 THR H . 6785 1
496 . 1 1 108 108 THR C C 13 173.483 0.380 . 1 . . . . 108 THR C . 6785 1
497 . 1 1 108 108 THR CA C 13 61.394 0.450 . 1 . . . . 108 THR CA . 6785 1
498 . 1 1 108 108 THR CB C 13 72.962 0.450 . 1 . . . . 108 THR CB . 6785 1
499 . 1 1 108 108 THR N N 15 120.171 0.470 . 1 . . . . 108 THR N . 6785 1
500 . 1 1 109 109 LYS H H 1 8.521 0.014 . 1 . . . . 109 LYS H . 6785 1
501 . 1 1 109 109 LYS C C 13 173.522 0.380 . 1 . . . . 109 LYS C . 6785 1
502 . 1 1 109 109 LYS CA C 13 55.699 0.450 . 1 . . . . 109 LYS CA . 6785 1
503 . 1 1 109 109 LYS CB C 13 32.654 0.450 . 1 . . . . 109 LYS CB . 6785 1
504 . 1 1 109 109 LYS N N 15 129.382 0.470 . 1 . . . . 109 LYS N . 6785 1
505 . 1 1 110 110 LEU H H 1 9.202 0.014 . 1 . . . . 110 LEU H . 6785 1
506 . 1 1 110 110 LEU C C 13 175.335 0.380 . 1 . . . . 110 LEU C . 6785 1
507 . 1 1 110 110 LEU CA C 13 54.704 0.450 . 1 . . . . 110 LEU CA . 6785 1
508 . 1 1 110 110 LEU CB C 13 43.295 0.450 . 1 . . . . 110 LEU CB . 6785 1
509 . 1 1 110 110 LEU N N 15 133.316 0.470 . 1 . . . . 110 LEU N . 6785 1
510 . 1 1 111 111 GLU H H 1 8.18 0.014 . 1 . . . . 111 GLU H . 6785 1
511 . 1 1 111 111 GLU C C 13 173.479 0.380 . 1 . . . . 111 GLU C . 6785 1
512 . 1 1 111 111 GLU CA C 13 53.309 0.450 . 1 . . . . 111 GLU CA . 6785 1
513 . 1 1 111 111 GLU CB C 13 32.984 0.450 . 1 . . . . 111 GLU CB . 6785 1
514 . 1 1 111 111 GLU N N 15 124.999 0.470 . 1 . . . . 111 GLU N . 6785 1
515 . 1 1 112 112 ILE H H 1 8.329 0.014 . 1 . . . . 112 ILE H . 6785 1
516 . 1 1 112 112 ILE C C 13 176.854 0.380 . 1 . . . . 112 ILE C . 6785 1
517 . 1 1 112 112 ILE CA C 13 58.905 0.450 . 1 . . . . 112 ILE CA . 6785 1
518 . 1 1 112 112 ILE CB C 13 37.499 0.450 . 1 . . . . 112 ILE CB . 6785 1
519 . 1 1 112 112 ILE N N 15 121.798 0.470 . 1 . . . . 112 ILE N . 6785 1
520 . 1 1 113 113 LYS H H 1 8.364 0.014 . 1 . . . . 113 LYS H . 6785 1
521 . 1 1 113 113 LYS C C 13 175.724 0.380 . 1 . . . . 113 LYS C . 6785 1
522 . 1 1 113 113 LYS CA C 13 56.057 0.450 . 1 . . . . 113 LYS CA . 6785 1
523 . 1 1 113 113 LYS CB C 13 32.566 0.450 . 1 . . . . 113 LYS CB . 6785 1
524 . 1 1 113 113 LYS N N 15 128.736 0.470 . 1 . . . . 113 LYS N . 6785 1
525 . 1 1 114 114 ARG H H 1 8.578 0.014 . 1 . . . . 114 ARG H . 6785 1
526 . 1 1 114 114 ARG C C 13 174.964 0.380 . 1 . . . . 114 ARG C . 6785 1
527 . 1 1 114 114 ARG CA C 13 55.6 0.450 . 1 . . . . 114 ARG CA . 6785 1
528 . 1 1 114 114 ARG CB C 13 30.087 0.450 . 1 . . . . 114 ARG CB . 6785 1
stop_
save_
###################################
# 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_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 6785
_Assigned_chem_shift_list.ID 2
_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 1H15N_HSQC 3 $sample_3 isotropic 6785 2
2 TROSY-HNCA 3 $sample_3 isotropic 6785 2
3 TROSY-HNCOCA 3 $sample_3 isotropic 6785 2
6 TROSY-HNCACB 3 $sample_3 isotropic 6785 2
7 TROSY-HNCOCACB 3 $sample_3 isotropic 6785 2
8 TROSY-HNCO 4 $sample_4 isotropic 6785 2
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $software_3 . . 6785 2
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 . 2 2 2 2 GLN C C 13 175.309 0.380 . 1 . . . . 2 GLN C . 6785 2
2 . 2 2 2 2 GLN CA C 13 55.6 0.460 . 1 . . . . 2 GLN CA . 6785 2
3 . 2 2 2 2 GLN CB C 13 29.277 0.460 . 1 . . . . 2 GLN CB . 6785 2
4 . 2 2 3 3 VAL H H 1 8.339 0.015 . 1 . . . . 3 VAL H . 6785 2
5 . 2 2 3 3 VAL C C 13 175.719 0.380 . 1 . . . . 3 VAL C . 6785 2
6 . 2 2 3 3 VAL CA C 13 62.013 0.460 . 1 . . . . 3 VAL CA . 6785 2
7 . 2 2 3 3 VAL CB C 13 31.695 0.460 . 1 . . . . 3 VAL CB . 6785 2
8 . 2 2 3 3 VAL N N 15 123.379 0.440 . 1 . . . . 3 VAL N . 6785 2
9 . 2 2 4 4 GLN H H 1 8.475 0.015 . 1 . . . . 4 GLN H . 6785 2
10 . 2 2 4 4 GLN C C 13 173.098 0.380 . 1 . . . . 4 GLN C . 6785 2
11 . 2 2 4 4 GLN CA C 13 55.051 0.460 . 1 . . . . 4 GLN CA . 6785 2
12 . 2 2 4 4 GLN CB C 13 32.841 0.460 . 1 . . . . 4 GLN CB . 6785 2
13 . 2 2 4 4 GLN N N 15 124.738 0.440 . 1 . . . . 4 GLN N . 6785 2
14 . 2 2 5 5 LEU H H 1 8.394 0.015 . 1 . . . . 5 LEU H . 6785 2
15 . 2 2 5 5 LEU CA C 13 53.282 0.460 . 1 . . . . 5 LEU CA . 6785 2
16 . 2 2 5 5 LEU CB C 13 43.231 0.460 . 1 . . . . 5 LEU CB . 6785 2
17 . 2 2 5 5 LEU N N 15 123.398 0.440 . 1 . . . . 5 LEU N . 6785 2
18 . 2 2 7 7 GLU C C 13 176.86 0.380 . 1 . . . . 7 GLU C . 6785 2
19 . 2 2 7 7 GLU CA C 13 56.449 0.460 . 1 . . . . 7 GLU CA . 6785 2
20 . 2 2 8 8 SER H H 1 9.305 0.015 . 1 . . . . 8 SER H . 6785 2
21 . 2 2 8 8 SER C C 13 173.469 0.380 . 1 . . . . 8 SER C . 6785 2
22 . 2 2 8 8 SER CA C 13 57.679 0.460 . 1 . . . . 8 SER CA . 6785 2
23 . 2 2 8 8 SER CB C 13 65.44 0.460 . 1 . . . . 8 SER CB . 6785 2
24 . 2 2 8 8 SER N N 15 115.109 0.440 . 1 . . . . 8 SER N . 6785 2
25 . 2 2 9 9 GLY H H 1 8.597 0.015 . 1 . . . . 9 GLY H . 6785 2
26 . 2 2 9 9 GLY C C 13 174.617 0.380 . 1 . . . . 9 GLY C . 6785 2
27 . 2 2 9 9 GLY CA C 13 44.68 0.460 . 1 . . . . 9 GLY CA . 6785 2
28 . 2 2 9 9 GLY N N 15 108.059 0.440 . 1 . . . . 9 GLY N . 6785 2
29 . 2 2 10 10 GLY H H 1 7.666 0.015 . 1 . . . . 10 GLY H . 6785 2
30 . 2 2 10 10 GLY C C 13 173.094 0.380 . 1 . . . . 10 GLY C . 6785 2
31 . 2 2 10 10 GLY CA C 13 45.031 0.460 . 1 . . . . 10 GLY CA . 6785 2
32 . 2 2 10 10 GLY N N 15 106.421 0.440 . 1 . . . . 10 GLY N . 6785 2
33 . 2 2 11 11 GLY H H 1 7.502 0.015 . 1 . . . . 11 GLY H . 6785 2
34 . 2 2 11 11 GLY C C 13 170.866 0.380 . 1 . . . . 11 GLY C . 6785 2
35 . 2 2 11 11 GLY CA C 13 44.798 0.460 . 1 . . . . 11 GLY CA . 6785 2
36 . 2 2 11 11 GLY N N 15 107.729 0.440 . 1 . . . . 11 GLY N . 6785 2
37 . 2 2 12 12 LEU H H 1 8.179 0.015 . 1 . . . . 12 LEU H . 6785 2
38 . 2 2 12 12 LEU C C 13 176.488 0.380 . 1 . . . . 12 LEU C . 6785 2
39 . 2 2 12 12 LEU CA C 13 54.055 0.460 . 1 . . . . 12 LEU CA . 6785 2
40 . 2 2 12 12 LEU CB C 13 42.64 0.460 . 1 . . . . 12 LEU CB . 6785 2
41 . 2 2 12 12 LEU N N 15 123.924 0.440 . 1 . . . . 12 LEU N . 6785 2
42 . 2 2 13 13 VAL H H 1 8.996 0.015 . 1 . . . . 13 VAL H . 6785 2
43 . 2 2 13 13 VAL C C 13 173.089 0.380 . 1 . . . . 13 VAL C . 6785 2
44 . 2 2 13 13 VAL CA C 13 59.127 0.460 . 1 . . . . 13 VAL CA . 6785 2
45 . 2 2 13 13 VAL CB C 13 34.896 0.460 . 1 . . . . 13 VAL CB . 6785 2
46 . 2 2 13 13 VAL N N 15 124.342 0.440 . 1 . . . . 13 VAL N . 6785 2
47 . 2 2 14 14 LYS H H 1 8.091 0.015 . 1 . . . . 14 LYS H . 6785 2
48 . 2 2 14 14 LYS CA C 13 54.138 0.460 . 1 . . . . 14 LYS CA . 6785 2
49 . 2 2 14 14 LYS CB C 13 31.145 0.460 . 1 . . . . 14 LYS CB . 6785 2
50 . 2 2 14 14 LYS N N 15 123.52 0.440 . 1 . . . . 14 LYS N . 6785 2
51 . 2 2 15 15 PRO C C 13 177.982 0.380 . 1 . . . . 15 PRO C . 6785 2
52 . 2 2 15 15 PRO CA C 13 63.403 0.460 . 1 . . . . 15 PRO CA . 6785 2
53 . 2 2 15 15 PRO CB C 13 30.37 0.460 . 1 . . . . 15 PRO CB . 6785 2
54 . 2 2 16 16 GLY H H 1 9.871 0.015 . 1 . . . . 16 GLY H . 6785 2
55 . 2 2 16 16 GLY C C 13 175.346 0.380 . 1 . . . . 16 GLY C . 6785 2
56 . 2 2 16 16 GLY CA C 13 44.638 0.460 . 1 . . . . 16 GLY CA . 6785 2
57 . 2 2 16 16 GLY N N 15 114.708 0.440 . 1 . . . . 16 GLY N . 6785 2
58 . 2 2 17 17 GLY H H 1 8.487 0.015 . 1 . . . . 17 GLY H . 6785 2
59 . 2 2 17 17 GLY C C 13 170.843 0.380 . 1 . . . . 17 GLY C . 6785 2
60 . 2 2 17 17 GLY CA C 13 44.47 0.460 . 1 . . . . 17 GLY CA . 6785 2
61 . 2 2 17 17 GLY N N 15 109.884 0.440 . 1 . . . . 17 GLY N . 6785 2
62 . 2 2 18 18 SER H H 1 7.93 0.015 . 1 . . . . 18 SER H . 6785 2
63 . 2 2 18 18 SER C C 13 172.725 0.380 . 1 . . . . 18 SER C . 6785 2
64 . 2 2 18 18 SER CA C 13 56.221 0.460 . 1 . . . . 18 SER CA . 6785 2
65 . 2 2 18 18 SER CB C 13 66.851 0.460 . 1 . . . . 18 SER CB . 6785 2
66 . 2 2 18 18 SER N N 15 110.339 0.440 . 1 . . . . 18 SER N . 6785 2
67 . 2 2 19 19 LEU H H 1 8.344 0.015 . 1 . . . . 19 LEU H . 6785 2
68 . 2 2 19 19 LEU C C 13 173.844 0.380 . 1 . . . . 19 LEU C . 6785 2
69 . 2 2 19 19 LEU CA C 13 54.708 0.460 . 1 . . . . 19 LEU CA . 6785 2
70 . 2 2 19 19 LEU CB C 13 46.93 0.460 . 1 . . . . 19 LEU CB . 6785 2
71 . 2 2 19 19 LEU N N 15 121.725 0.440 . 1 . . . . 19 LEU N . 6785 2
72 . 2 2 20 20 LYS H H 1 8.303 0.015 . 1 . . . . 20 LYS H . 6785 2
73 . 2 2 20 20 LYS C C 13 175.351 0.380 . 1 . . . . 20 LYS C . 6785 2
74 . 2 2 20 20 LYS CA C 13 54.746 0.460 . 1 . . . . 20 LYS CA . 6785 2
75 . 2 2 20 20 LYS CB C 13 33.699 0.460 . 1 . . . . 20 LYS CB . 6785 2
76 . 2 2 20 20 LYS N N 15 124.325 0.440 . 1 . . . . 20 LYS N . 6785 2
77 . 2 2 21 21 LEU H H 1 8.796 0.015 . 1 . . . . 21 LEU H . 6785 2
78 . 2 2 21 21 LEU C C 13 176.854 0.380 . 1 . . . . 21 LEU C . 6785 2
79 . 2 2 21 21 LEU CA C 13 53.005 0.460 . 1 . . . . 21 LEU CA . 6785 2
80 . 2 2 21 21 LEU CB C 13 42.738 0.460 . 1 . . . . 21 LEU CB . 6785 2
81 . 2 2 21 21 LEU N N 15 127.019 0.440 . 1 . . . . 21 LEU N . 6785 2
82 . 2 2 22 22 SER H H 1 8.849 0.015 . 1 . . . . 22 SER H . 6785 2
83 . 2 2 22 22 SER C C 13 173.382 0.380 . 1 . . . . 22 SER C . 6785 2
84 . 2 2 22 22 SER CA C 13 56.842 0.460 . 1 . . . . 22 SER CA . 6785 2
85 . 2 2 22 22 SER CB C 13 66.412 0.460 . 1 . . . . 22 SER CB . 6785 2
86 . 2 2 22 22 SER N N 15 114.612 0.440 . 1 . . . . 22 SER N . 6785 2
87 . 2 2 23 23 CYS H H 1 9.165 0.015 . 1 . . . . 23 CYS H . 6785 2
88 . 2 2 23 23 CYS CA C 13 54.273 0.460 . 1 . . . . 23 CYS CA . 6785 2
89 . 2 2 23 23 CYS CB C 13 42.82 0.460 . 1 . . . . 23 CYS CB . 6785 2
90 . 2 2 23 23 CYS N N 15 124.003 0.440 . 1 . . . . 23 CYS N . 6785 2
91 . 2 2 24 24 ALA C C 13 176.46 0.380 . 1 . . . . 24 ALA C . 6785 2
92 . 2 2 24 24 ALA CA C 13 51.279 0.460 . 1 . . . . 24 ALA CA . 6785 2
93 . 2 2 24 24 ALA CB C 13 19.117 0.460 . 1 . . . . 24 ALA CB . 6785 2
94 . 2 2 25 25 ALA H H 1 8.377 0.015 . 1 . . . . 25 ALA H . 6785 2
95 . 2 2 25 25 ALA C C 13 176.576 0.380 . 1 . . . . 25 ALA C . 6785 2
96 . 2 2 25 25 ALA CA C 13 50.593 0.460 . 1 . . . . 25 ALA CA . 6785 2
97 . 2 2 25 25 ALA CB C 13 22.513 0.460 . 1 . . . . 25 ALA CB . 6785 2
98 . 2 2 25 25 ALA N N 15 128.299 0.440 . 1 . . . . 25 ALA N . 6785 2
99 . 2 2 26 26 SER H H 1 8.841 0.015 . 1 . . . . 26 SER H . 6785 2
100 . 2 2 26 26 SER C C 13 174.52 0.380 . 1 . . . . 26 SER C . 6785 2
101 . 2 2 26 26 SER CA C 13 57.493 0.460 . 1 . . . . 26 SER CA . 6785 2
102 . 2 2 26 26 SER CB C 13 65.316 0.460 . 1 . . . . 26 SER CB . 6785 2
103 . 2 2 26 26 SER N N 15 115.573 0.440 . 1 . . . . 26 SER N . 6785 2
104 . 2 2 27 27 GLY H H 1 8.78 0.015 . 1 . . . . 27 GLY H . 6785 2
105 . 2 2 27 27 GLY C C 13 173.117 0.380 . 1 . . . . 27 GLY C . 6785 2
106 . 2 2 27 27 GLY CA C 13 45.617 0.460 . 1 . . . . 27 GLY CA . 6785 2
107 . 2 2 27 27 GLY N N 15 109.263 0.440 . 1 . . . . 27 GLY N . 6785 2
108 . 2 2 28 28 PHE H H 1 7.389 0.015 . 1 . . . . 28 PHE H . 6785 2
109 . 2 2 28 28 PHE C C 13 173.089 0.380 . 1 . . . . 28 PHE C . 6785 2
110 . 2 2 28 28 PHE CA C 13 54.684 0.460 . 1 . . . . 28 PHE CA . 6785 2
111 . 2 2 28 28 PHE CB C 13 39.532 0.460 . 1 . . . . 28 PHE CB . 6785 2
112 . 2 2 28 28 PHE N N 15 113.338 0.440 . 1 . . . . 28 PHE N . 6785 2
113 . 2 2 29 29 THR H H 1 9.185 0.015 . 1 . . . . 29 THR H . 6785 2
114 . 2 2 29 29 THR C C 13 174.608 0.380 . 1 . . . . 29 THR C . 6785 2
115 . 2 2 29 29 THR CA C 13 60.582 0.460 . 1 . . . . 29 THR CA . 6785 2
116 . 2 2 29 29 THR N N 15 116.437 0.440 . 1 . . . . 29 THR N . 6785 2
117 . 2 2 30 30 PHE H H 1 7.915 0.015 . 1 . . . . 30 PHE H . 6785 2
118 . 2 2 30 30 PHE C C 13 176.095 0.380 . 1 . . . . 30 PHE C . 6785 2
119 . 2 2 30 30 PHE CA C 13 58.87 0.460 . 1 . . . . 30 PHE CA . 6785 2
120 . 2 2 30 30 PHE N N 15 129.757 0.440 . 1 . . . . 30 PHE N . 6785 2
121 . 2 2 31 31 SER H H 1 8.41 0.015 . 1 . . . . 31 SER H . 6785 2
122 . 2 2 31 31 SER C C 13 174.635 0.380 . 1 . . . . 31 SER C . 6785 2
123 . 2 2 31 31 SER CA C 13 60.226 0.460 . 1 . . . . 31 SER CA . 6785 2
124 . 2 2 31 31 SER CB C 13 62.841 0.460 . 1 . . . . 31 SER CB . 6785 2
125 . 2 2 31 31 SER N N 15 110.739 0.440 . 1 . . . . 31 SER N . 6785 2
126 . 2 2 32 32 ASN H H 1 7.735 0.015 . 1 . . . . 32 ASN H . 6785 2
127 . 2 2 32 32 ASN C C 13 173.467 0.380 . 1 . . . . 32 ASN C . 6785 2
128 . 2 2 32 32 ASN CA C 13 52.855 0.460 . 1 . . . . 32 ASN CA . 6785 2
129 . 2 2 32 32 ASN CB C 13 39.415 0.460 . 1 . . . . 32 ASN CB . 6785 2
130 . 2 2 32 32 ASN N N 15 117.697 0.440 . 1 . . . . 32 ASN N . 6785 2
131 . 2 2 33 33 TYR H H 1 7.526 0.015 . 1 . . . . 33 TYR H . 6785 2
132 . 2 2 33 33 TYR CA C 13 58.077 0.460 . 1 . . . . 33 TYR CA . 6785 2
133 . 2 2 33 33 TYR CB C 13 41.792 0.460 . 1 . . . . 33 TYR CB . 6785 2
134 . 2 2 33 33 TYR N N 15 115.916 0.440 . 1 . . . . 33 TYR N . 6785 2
135 . 2 2 34 34 ALA C C 13 174.608 0.380 . 1 . . . . 34 ALA C . 6785 2
136 . 2 2 34 34 ALA CA C 13 51.369 0.460 . 1 . . . . 34 ALA CA . 6785 2
137 . 2 2 34 34 ALA CB C 13 20.743 0.460 . 1 . . . . 34 ALA CB . 6785 2
138 . 2 2 35 35 MET H H 1 8.635 0.015 . 1 . . . . 35 MET H . 6785 2
139 . 2 2 35 35 MET C C 13 172.727 0.380 . 1 . . . . 35 MET C . 6785 2
140 . 2 2 35 35 MET CA C 13 51.984 0.460 . 1 . . . . 35 MET CA . 6785 2
141 . 2 2 35 35 MET CB C 13 36.64 0.460 . 1 . . . . 35 MET CB . 6785 2
142 . 2 2 35 35 MET N N 15 115.476 0.440 . 1 . . . . 35 MET N . 6785 2
143 . 2 2 36 36 SER H H 1 8.958 0.015 . 1 . . . . 36 SER H . 6785 2
144 . 2 2 36 36 SER C C 13 173.459 0.380 . 1 . . . . 36 SER C . 6785 2
145 . 2 2 36 36 SER CA C 13 56.254 0.460 . 1 . . . . 36 SER CA . 6785 2
146 . 2 2 36 36 SER CB C 13 67.496 0.460 . 1 . . . . 36 SER CB . 6785 2
147 . 2 2 36 36 SER N N 15 114.643 0.440 . 1 . . . . 36 SER N . 6785 2
148 . 2 2 37 37 TRP H H 1 7.877 0.015 . 1 . . . . 37 TRP H . 6785 2
149 . 2 2 37 37 TRP C C 13 174.955 0.380 . 1 . . . . 37 TRP C . 6785 2
150 . 2 2 37 37 TRP CA C 13 55.764 0.460 . 1 . . . . 37 TRP CA . 6785 2
151 . 2 2 37 37 TRP CB C 13 31.207 0.460 . 1 . . . . 37 TRP CB . 6785 2
152 . 2 2 37 37 TRP N N 15 118.634 0.440 . 1 . . . . 37 TRP N . 6785 2
153 . 2 2 38 38 VAL H H 1 9.411 0.015 . 1 . . . . 38 VAL H . 6785 2
154 . 2 2 38 38 VAL C C 13 173.459 0.380 . 1 . . . . 38 VAL C . 6785 2
155 . 2 2 38 38 VAL CA C 13 60.575 0.460 . 1 . . . . 38 VAL CA . 6785 2
156 . 2 2 38 38 VAL CB C 13 35.969 0.460 . 1 . . . . 38 VAL CB . 6785 2
157 . 2 2 38 38 VAL N N 15 124.101 0.440 . 1 . . . . 38 VAL N . 6785 2
158 . 2 2 39 39 ARG H H 1 9.732 0.015 . 1 . . . . 39 ARG H . 6785 2
159 . 2 2 39 39 ARG C C 13 173.093 0.380 . 1 . . . . 39 ARG C . 6785 2
160 . 2 2 39 39 ARG CA C 13 51.938 0.460 . 1 . . . . 39 ARG CA . 6785 2
161 . 2 2 39 39 ARG CB C 13 32.277 0.460 . 1 . . . . 39 ARG CB . 6785 2
162 . 2 2 39 39 ARG N N 15 124.283 0.440 . 1 . . . . 39 ARG N . 6785 2
163 . 2 2 40 40 GLN H H 1 9.519 0.015 . 1 . . . . 40 GLN H . 6785 2
164 . 2 2 40 40 GLN C C 13 176.483 0.380 . 1 . . . . 40 GLN C . 6785 2
165 . 2 2 40 40 GLN CA C 13 52.947 0.460 . 1 . . . . 40 GLN CA . 6785 2
166 . 2 2 40 40 GLN CB C 13 32.001 0.460 . 1 . . . . 40 GLN CB . 6785 2
167 . 2 2 40 40 GLN N N 15 122.563 0.440 . 1 . . . . 40 GLN N . 6785 2
168 . 2 2 41 41 THR H H 1 9.228 0.015 . 1 . . . . 41 THR H . 6785 2
169 . 2 2 41 41 THR CA C 13 61.31 0.460 . 1 . . . . 41 THR CA . 6785 2
170 . 2 2 41 41 THR CB C 13 67.554 0.460 . 1 . . . . 41 THR CB . 6785 2
171 . 2 2 41 41 THR N N 15 121.248 0.440 . 1 . . . . 41 THR N . 6785 2
172 . 2 2 42 42 PRO C C 13 177.863 0.380 . 1 . . . . 42 PRO C . 6785 2
173 . 2 2 42 42 PRO CA C 13 65.289 0.460 . 1 . . . . 42 PRO CA . 6785 2
174 . 2 2 42 42 PRO CB C 13 31.108 0.460 . 1 . . . . 42 PRO CB . 6785 2
175 . 2 2 43 43 GLU H H 1 7.747 0.015 . 1 . . . . 43 GLU H . 6785 2
176 . 2 2 43 43 GLU C C 13 175.353 0.380 . 1 . . . . 43 GLU C . 6785 2
177 . 2 2 43 43 GLU CA C 13 56.604 0.460 . 1 . . . . 43 GLU CA . 6785 2
178 . 2 2 43 43 GLU CB C 13 28.076 0.460 . 1 . . . . 43 GLU CB . 6785 2
179 . 2 2 43 43 GLU N N 15 114.347 0.440 . 1 . . . . 43 GLU N . 6785 2
180 . 2 2 44 44 LYS H H 1 8.588 0.015 . 1 . . . . 44 LYS H . 6785 2
181 . 2 2 44 44 LYS C C 13 176.467 0.380 . 1 . . . . 44 LYS C . 6785 2
182 . 2 2 44 44 LYS CA C 13 56.648 0.460 . 1 . . . . 44 LYS CA . 6785 2
183 . 2 2 44 44 LYS CB C 13 27.162 0.460 . 1 . . . . 44 LYS CB . 6785 2
184 . 2 2 44 44 LYS N N 15 112.782 0.440 . 1 . . . . 44 LYS N . 6785 2
185 . 2 2 45 45 ARG H H 1 7.254 0.015 . 1 . . . . 45 ARG H . 6785 2
186 . 2 2 45 45 ARG C C 13 176.106 0.380 . 1 . . . . 45 ARG C . 6785 2
187 . 2 2 45 45 ARG CA C 13 55.885 0.460 . 1 . . . . 45 ARG CA . 6785 2
188 . 2 2 45 45 ARG CB C 13 30.115 0.460 . 1 . . . . 45 ARG CB . 6785 2
189 . 2 2 45 45 ARG N N 15 122.03 0.440 . 1 . . . . 45 ARG N . 6785 2
190 . 2 2 46 46 LEU H H 1 8.842 0.015 . 1 . . . . 46 LEU H . 6785 2
191 . 2 2 46 46 LEU C C 13 176.096 0.380 . 1 . . . . 46 LEU C . 6785 2
192 . 2 2 46 46 LEU CA C 13 53.498 0.460 . 1 . . . . 46 LEU CA . 6785 2
193 . 2 2 46 46 LEU CB C 13 42.102 0.460 . 1 . . . . 46 LEU CB . 6785 2
194 . 2 2 46 46 LEU N N 15 127.03 0.440 . 1 . . . . 46 LEU N . 6785 2
195 . 2 2 47 47 GLU H H 1 9.327 0.015 . 1 . . . . 47 GLU H . 6785 2
196 . 2 2 47 47 GLU C C 13 175.713 0.380 . 1 . . . . 47 GLU C . 6785 2
197 . 2 2 47 47 GLU CA C 13 55.224 0.460 . 1 . . . . 47 GLU CA . 6785 2
198 . 2 2 47 47 GLU CB C 13 33.063 0.460 . 1 . . . . 47 GLU CB . 6785 2
199 . 2 2 47 47 GLU N N 15 121.766 0.440 . 1 . . . . 47 GLU N . 6785 2
200 . 2 2 48 48 TRP H H 1 9.532 0.015 . 1 . . . . 48 TRP H . 6785 2
201 . 2 2 48 48 TRP C C 13 173.474 0.380 . 1 . . . . 48 TRP C . 6785 2
202 . 2 2 48 48 TRP CA C 13 59.337 0.460 . 1 . . . . 48 TRP CA . 6785 2
203 . 2 2 48 48 TRP CB C 13 29.456 0.460 . 1 . . . . 48 TRP CB . 6785 2
204 . 2 2 48 48 TRP N N 15 130.685 0.440 . 1 . . . . 48 TRP N . 6785 2
205 . 2 2 49 49 VAL H H 1 7.851 0.015 . 1 . . . . 49 VAL H . 6785 2
206 . 2 2 49 49 VAL C C 13 173.458 0.380 . 1 . . . . 49 VAL C . 6785 2
207 . 2 2 49 49 VAL CA C 13 62.725 0.460 . 1 . . . . 49 VAL CA . 6785 2
208 . 2 2 49 49 VAL CB C 13 33.148 0.460 . 1 . . . . 49 VAL CB . 6785 2
209 . 2 2 49 49 VAL N N 15 122.573 0.440 . 1 . . . . 49 VAL N . 6785 2
210 . 2 2 50 50 VAL H H 1 6.607 0.015 . 1 . . . . 50 VAL H . 6785 2
211 . 2 2 50 50 VAL C C 13 174.223 0.380 . 1 . . . . 50 VAL C . 6785 2
212 . 2 2 50 50 VAL CA C 13 58.519 0.460 . 1 . . . . 50 VAL CA . 6785 2
213 . 2 2 50 50 VAL CB C 13 31.833 0.460 . 1 . . . . 50 VAL CB . 6785 2
214 . 2 2 50 50 VAL N N 15 110.699 0.440 . 1 . . . . 50 VAL N . 6785 2
215 . 2 2 51 51 SER H H 1 8.956 0.015 . 1 . . . . 51 SER H . 6785 2
216 . 2 2 51 51 SER C C 13 171.601 0.380 . 1 . . . . 51 SER C . 6785 2
217 . 2 2 51 51 SER CA C 13 57.601 0.460 . 1 . . . . 51 SER CA . 6785 2
218 . 2 2 51 51 SER CB C 13 67.906 0.460 . 1 . . . . 51 SER CB . 6785 2
219 . 2 2 51 51 SER N N 15 122.451 0.440 . 1 . . . . 51 SER N . 6785 2
220 . 2 2 52 52 ILE H H 1 9.656 0.015 . 1 . . . . 52 ILE H . 6785 2
221 . 2 2 52 52 ILE CA C 13 57.579 0.460 . 1 . . . . 52 ILE CA . 6785 2
222 . 2 2 52 52 ILE CB C 13 40.283 0.460 . 1 . . . . 52 ILE CB . 6785 2
223 . 2 2 52 52 ILE N N 15 122.127 0.440 . 1 . . . . 52 ILE N . 6785 2
224 . 2 2 55 55 GLY H H 1 8.262 0.015 . 1 . . . . 55 GLY H . 6785 2
225 . 2 2 55 55 GLY C C 13 174.585 0.380 . 1 . . . . 55 GLY C . 6785 2
226 . 2 2 55 55 GLY CA C 13 44.817 0.460 . 1 . . . . 55 GLY CA . 6785 2
227 . 2 2 55 55 GLY N N 15 110.51 0.440 . 1 . . . . 55 GLY N . 6785 2
228 . 2 2 56 56 GLY H H 1 8.052 0.015 . 1 . . . . 56 GLY H . 6785 2
229 . 2 2 56 56 GLY CA C 13 44.816 0.460 . 1 . . . . 56 GLY CA . 6785 2
230 . 2 2 56 56 GLY N N 15 109.007 0.440 . 1 . . . . 56 GLY N . 6785 2
231 . 2 2 57 57 SER C C 13 173.487 0.380 . 1 . . . . 57 SER C . 6785 2
232 . 2 2 57 57 SER CA C 13 60.309 0.460 . 1 . . . . 57 SER CA . 6785 2
233 . 2 2 57 57 SER CB C 13 63.536 0.460 . 1 . . . . 57 SER CB . 6785 2
234 . 2 2 58 58 ILE H H 1 8.155 0.015 . 1 . . . . 58 ILE H . 6785 2
235 . 2 2 58 58 ILE C C 13 174.984 0.380 . 1 . . . . 58 ILE C . 6785 2
236 . 2 2 58 58 ILE CA C 13 61.084 0.460 . 1 . . . . 58 ILE CA . 6785 2
237 . 2 2 58 58 ILE CB C 13 40.443 0.460 . 1 . . . . 58 ILE CB . 6785 2
238 . 2 2 58 58 ILE N N 15 124.373 0.440 . 1 . . . . 58 ILE N . 6785 2
239 . 2 2 59 59 TYR H H 1 8.511 0.015 . 1 . . . . 59 TYR H . 6785 2
240 . 2 2 59 59 TYR C C 13 173.443 0.380 . 1 . . . . 59 TYR C . 6785 2
241 . 2 2 59 59 TYR CA C 13 56.433 0.460 . 1 . . . . 59 TYR CA . 6785 2
242 . 2 2 59 59 TYR CB C 13 40.106 0.460 . 1 . . . . 59 TYR CB . 6785 2
243 . 2 2 59 59 TYR N N 15 126.973 0.440 . 1 . . . . 59 TYR N . 6785 2
244 . 2 2 60 60 TYR H H 1 8.872 0.015 . 1 . . . . 60 TYR H . 6785 2
245 . 2 2 60 60 TYR C C 13 176.479 0.380 . 1 . . . . 60 TYR C . 6785 2
246 . 2 2 60 60 TYR CA C 13 57.555 0.460 . 1 . . . . 60 TYR CA . 6785 2
247 . 2 2 60 60 TYR CB C 13 42.525 0.460 . 1 . . . . 60 TYR CB . 6785 2
248 . 2 2 60 60 TYR N N 15 119.336 0.440 . 1 . . . . 60 TYR N . 6785 2
249 . 2 2 61 61 LEU H H 1 7.873 0.015 . 1 . . . . 61 LEU H . 6785 2
250 . 2 2 61 61 LEU C C 13 179.1 0.380 . 1 . . . . 61 LEU C . 6785 2
251 . 2 2 61 61 LEU CA C 13 55.725 0.460 . 1 . . . . 61 LEU CA . 6785 2
252 . 2 2 61 61 LEU CB C 13 41.938 0.460 . 1 . . . . 61 LEU CB . 6785 2
253 . 2 2 61 61 LEU N N 15 124.314 0.440 . 1 . . . . 61 LEU N . 6785 2
254 . 2 2 62 62 ASP H H 1 9.413 0.015 . 1 . . . . 62 ASP H . 6785 2
255 . 2 2 62 62 ASP C C 13 178.748 0.380 . 1 . . . . 62 ASP C . 6785 2
256 . 2 2 62 62 ASP CA C 13 58.659 0.460 . 1 . . . . 62 ASP CA . 6785 2
257 . 2 2 62 62 ASP CB C 13 40.275 0.460 . 1 . . . . 62 ASP CB . 6785 2
258 . 2 2 62 62 ASP N N 15 129.338 0.440 . 1 . . . . 62 ASP N . 6785 2
259 . 2 2 63 63 SER H H 1 7.837 0.015 . 1 . . . . 63 SER H . 6785 2
260 . 2 2 63 63 SER C C 13 175.729 0.380 . 1 . . . . 63 SER C . 6785 2
261 . 2 2 63 63 SER CA C 13 59.556 0.460 . 1 . . . . 63 SER CA . 6785 2
262 . 2 2 63 63 SER CB C 13 62.612 0.460 . 1 . . . . 63 SER CB . 6785 2
263 . 2 2 63 63 SER N N 15 110.842 0.440 . 1 . . . . 63 SER N . 6785 2
264 . 2 2 64 64 VAL H H 1 7.675 0.015 . 1 . . . . 64 VAL H . 6785 2
265 . 2 2 64 64 VAL C C 13 175.738 0.380 . 1 . . . . 64 VAL C . 6785 2
266 . 2 2 64 64 VAL CA C 13 59.66 0.460 . 1 . . . . 64 VAL CA . 6785 2
267 . 2 2 64 64 VAL CB C 13 30.275 0.460 . 1 . . . . 64 VAL CB . 6785 2
268 . 2 2 64 64 VAL N N 15 113.425 0.440 . 1 . . . . 64 VAL N . 6785 2
269 . 2 2 65 65 LYS H H 1 7.355 0.015 . 1 . . . . 65 LYS H . 6785 2
270 . 2 2 65 65 LYS C C 13 177.6 0.380 . 1 . . . . 65 LYS C . 6785 2
271 . 2 2 65 65 LYS CA C 13 58.229 0.460 . 1 . . . . 65 LYS CA . 6785 2
272 . 2 2 65 65 LYS CB C 13 31.576 0.460 . 1 . . . . 65 LYS CB . 6785 2
273 . 2 2 65 65 LYS N N 15 126.89 0.440 . 1 . . . . 65 LYS N . 6785 2
274 . 2 2 66 66 GLY H H 1 9.129 0.015 . 1 . . . . 66 GLY H . 6785 2
275 . 2 2 66 66 GLY C C 13 173.853 0.380 . 1 . . . . 66 GLY C . 6785 2
276 . 2 2 66 66 GLY CA C 13 45.121 0.460 . 1 . . . . 66 GLY CA . 6785 2
277 . 2 2 66 66 GLY N N 15 115.579 0.440 . 1 . . . . 66 GLY N . 6785 2
278 . 2 2 67 67 ARG H H 1 7.703 0.015 . 1 . . . . 67 ARG H . 6785 2
279 . 2 2 67 67 ARG C C 13 177.234 0.380 . 1 . . . . 67 ARG C . 6785 2
280 . 2 2 67 67 ARG CA C 13 56.329 0.460 . 1 . . . . 67 ARG CA . 6785 2
281 . 2 2 67 67 ARG CB C 13 29.962 0.460 . 1 . . . . 67 ARG CB . 6785 2
282 . 2 2 67 67 ARG N N 15 116.771 0.440 . 1 . . . . 67 ARG N . 6785 2
283 . 2 2 68 68 PHE H H 1 8.295 0.015 . 1 . . . . 68 PHE H . 6785 2
284 . 2 2 68 68 PHE C C 13 174.228 0.380 . 1 . . . . 68 PHE C . 6785 2
285 . 2 2 68 68 PHE CA C 13 52.652 0.460 . 1 . . . . 68 PHE CA . 6785 2
286 . 2 2 68 68 PHE CB C 13 38.251 0.460 . 1 . . . . 68 PHE CB . 6785 2
287 . 2 2 68 68 PHE N N 15 123.459 0.440 . 1 . . . . 68 PHE N . 6785 2
288 . 2 2 69 69 THR H H 1 8.986 0.015 . 1 . . . . 69 THR H . 6785 2
289 . 2 2 69 69 THR C C 13 174.984 0.380 . 1 . . . . 69 THR C . 6785 2
290 . 2 2 69 69 THR CA C 13 60.643 0.460 . 1 . . . . 69 THR CA . 6785 2
291 . 2 2 69 69 THR CB C 13 71.482 0.460 . 1 . . . . 69 THR CB . 6785 2
292 . 2 2 69 69 THR N N 15 113.748 0.440 . 1 . . . . 69 THR N . 6785 2
293 . 2 2 70 70 VAL H H 1 8.859 0.015 . 1 . . . . 70 VAL H . 6785 2
294 . 2 2 70 70 VAL C C 13 171.619 0.380 . 1 . . . . 70 VAL C . 6785 2
295 . 2 2 70 70 VAL CA C 13 58.494 0.460 . 1 . . . . 70 VAL CA . 6785 2
296 . 2 2 70 70 VAL CB C 13 34.134 0.460 . 1 . . . . 70 VAL CB . 6785 2
297 . 2 2 70 70 VAL N N 15 130.387 0.440 . 1 . . . . 70 VAL N . 6785 2
298 . 2 2 71 71 SER H H 1 8.279 0.015 . 1 . . . . 71 SER H . 6785 2
299 . 2 2 71 71 SER C C 13 172.357 0.380 . 1 . . . . 71 SER C . 6785 2
300 . 2 2 71 71 SER CA C 13 57.898 0.460 . 1 . . . . 71 SER CA . 6785 2
301 . 2 2 71 71 SER CB C 13 65.117 0.460 . 1 . . . . 71 SER CB . 6785 2
302 . 2 2 71 71 SER N N 15 116.669 0.440 . 1 . . . . 71 SER N . 6785 2
303 . 2 2 72 72 ARG H H 1 9.296 0.015 . 1 . . . . 72 ARG H . 6785 2
304 . 2 2 72 72 ARG C C 13 173.459 0.380 . 1 . . . . 72 ARG C . 6785 2
305 . 2 2 72 72 ARG CA C 13 54.301 0.460 . 1 . . . . 72 ARG CA . 6785 2
306 . 2 2 72 72 ARG CB C 13 34.027 0.460 . 1 . . . . 72 ARG CB . 6785 2
307 . 2 2 72 72 ARG N N 15 117.546 0.440 . 1 . . . . 72 ARG N . 6785 2
308 . 2 2 73 73 ASP H H 1 9.487 0.015 . 1 . . . . 73 ASP H . 6785 2
309 . 2 2 73 73 ASP C C 13 177.231 0.380 . 1 . . . . 73 ASP C . 6785 2
310 . 2 2 73 73 ASP CA C 13 52.014 0.460 . 1 . . . . 73 ASP CA . 6785 2
311 . 2 2 73 73 ASP CB C 13 41.506 0.460 . 1 . . . . 73 ASP CB . 6785 2
312 . 2 2 73 73 ASP N N 15 123.356 0.440 . 1 . . . . 73 ASP N . 6785 2
313 . 2 2 74 74 ASN H H 1 9.214 0.015 . 1 . . . . 74 ASN H . 6785 2
314 . 2 2 74 74 ASN C C 13 176.085 0.380 . 1 . . . . 74 ASN C . 6785 2
315 . 2 2 74 74 ASN CA C 13 54.727 0.460 . 1 . . . . 74 ASN CA . 6785 2
316 . 2 2 74 74 ASN CB C 13 37.866 0.460 . 1 . . . . 74 ASN CB . 6785 2
317 . 2 2 74 74 ASN N N 15 123.688 0.440 . 1 . . . . 74 ASN N . 6785 2
318 . 2 2 75 75 ALA H H 1 8.485 0.015 . 1 . . . . 75 ALA H . 6785 2
319 . 2 2 75 75 ALA C C 13 179.466 0.380 . 1 . . . . 75 ALA C . 6785 2
320 . 2 2 75 75 ALA CA C 13 53.89 0.460 . 1 . . . . 75 ALA CA . 6785 2
321 . 2 2 75 75 ALA CB C 13 18.271 0.460 . 1 . . . . 75 ALA CB . 6785 2
322 . 2 2 75 75 ALA N N 15 122.584 0.440 . 1 . . . . 75 ALA N . 6785 2
323 . 2 2 76 76 ARG H H 1 7.56 0.015 . 1 . . . . 76 ARG H . 6785 2
324 . 2 2 76 76 ARG C C 13 175.316 0.380 . 1 . . . . 76 ARG C . 6785 2
325 . 2 2 76 76 ARG CA C 13 55.227 0.460 . 1 . . . . 76 ARG CA . 6785 2
326 . 2 2 76 76 ARG CB C 13 30.747 0.460 . 1 . . . . 76 ARG CB . 6785 2
327 . 2 2 76 76 ARG N N 15 115.488 0.440 . 1 . . . . 76 ARG N . 6785 2
328 . 2 2 77 77 ASN H H 1 7.77 0.015 . 1 . . . . 77 ASN H . 6785 2
329 . 2 2 77 77 ASN C C 13 172.096 0.380 . 1 . . . . 77 ASN C . 6785 2
330 . 2 2 77 77 ASN CA C 13 53.671 0.460 . 1 . . . . 77 ASN CA . 6785 2
331 . 2 2 77 77 ASN CB C 13 36.382 0.460 . 1 . . . . 77 ASN CB . 6785 2
332 . 2 2 77 77 ASN N N 15 118.086 0.440 . 1 . . . . 77 ASN N . 6785 2
333 . 2 2 78 78 ILE H H 1 7.359 0.015 . 1 . . . . 78 ILE H . 6785 2
334 . 2 2 78 78 ILE C C 13 173.094 0.380 . 1 . . . . 78 ILE C . 6785 2
335 . 2 2 78 78 ILE CA C 13 59.482 0.460 . 1 . . . . 78 ILE CA . 6785 2
336 . 2 2 78 78 ILE CB C 13 41.818 0.460 . 1 . . . . 78 ILE CB . 6785 2
337 . 2 2 78 78 ILE N N 15 115.923 0.440 . 1 . . . . 78 ILE N . 6785 2
338 . 2 2 79 79 LEU H H 1 8.834 0.015 . 1 . . . . 79 LEU H . 6785 2
339 . 2 2 79 79 LEU C C 13 174.205 0.380 . 1 . . . . 79 LEU C . 6785 2
340 . 2 2 79 79 LEU CA C 13 52.62 0.460 . 1 . . . . 79 LEU CA . 6785 2
341 . 2 2 79 79 LEU CB C 13 45.411 0.460 . 1 . . . . 79 LEU CB . 6785 2
342 . 2 2 79 79 LEU N N 15 129.186 0.440 . 1 . . . . 79 LEU N . 6785 2
343 . 2 2 80 80 TYR H H 1 9.402 0.015 . 1 . . . . 80 TYR H . 6785 2
344 . 2 2 80 80 TYR C C 13 176.845 0.380 . 1 . . . . 80 TYR C . 6785 2
345 . 2 2 80 80 TYR CA C 13 57.157 0.460 . 1 . . . . 80 TYR CA . 6785 2
346 . 2 2 80 80 TYR CB C 13 41.868 0.460 . 1 . . . . 80 TYR CB . 6785 2
347 . 2 2 80 80 TYR N N 15 124.678 0.440 . 1 . . . . 80 TYR N . 6785 2
348 . 2 2 81 81 LEU H H 1 8.677 0.015 . 1 . . . . 81 LEU H . 6785 2
349 . 2 2 81 81 LEU C C 13 174.207 0.380 . 1 . . . . 81 LEU C . 6785 2
350 . 2 2 81 81 LEU CA C 13 53.937 0.460 . 1 . . . . 81 LEU CA . 6785 2
351 . 2 2 81 81 LEU CB C 13 42.192 0.460 . 1 . . . . 81 LEU CB . 6785 2
352 . 2 2 81 81 LEU N N 15 121.752 0.440 . 1 . . . . 81 LEU N . 6785 2
353 . 2 2 82 82 GLN H H 1 8.941 0.015 . 1 . . . . 82 GLN H . 6785 2
354 . 2 2 82 82 GLN C C 13 174.242 0.380 . 1 . . . . 82 GLN C . 6785 2
355 . 2 2 82 82 GLN CA C 13 55.034 0.460 . 1 . . . . 82 GLN CA . 6785 2
356 . 2 2 82 82 GLN CB C 13 28.83 0.460 . 1 . . . . 82 GLN CB . 6785 2
357 . 2 2 82 82 GLN N N 15 128.254 0.440 . 1 . . . . 82 GLN N . 6785 2
358 . 2 2 83 83 MET H H 1 9.044 0.015 . 1 . . . . 83 MET H . 6785 2
359 . 2 2 83 83 MET C C 13 174.978 0.380 . 1 . . . . 83 MET C . 6785 2
360 . 2 2 83 83 MET CA C 13 54.946 0.460 . 1 . . . . 83 MET CA . 6785 2
361 . 2 2 83 83 MET CB C 13 34.909 0.460 . 1 . . . . 83 MET CB . 6785 2
362 . 2 2 83 83 MET N N 15 127.346 0.440 . 1 . . . . 83 MET N . 6785 2
363 . 2 2 84 84 THR H H 1 7.557 0.015 . 1 . . . . 84 THR H . 6785 2
364 . 2 2 84 84 THR C C 13 172.017 0.380 . 1 . . . . 84 THR C . 6785 2
365 . 2 2 84 84 THR CA C 13 59.653 0.460 . 1 . . . . 84 THR CA . 6785 2
366 . 2 2 84 84 THR CB C 13 71.943 0.460 . 1 . . . . 84 THR CB . 6785 2
367 . 2 2 84 84 THR N N 15 114.256 0.440 . 1 . . . . 84 THR N . 6785 2
368 . 2 2 85 85 SER H H 1 8.74 0.015 . 1 . . . . 85 SER H . 6785 2
369 . 2 2 85 85 SER C C 13 176.138 0.380 . 1 . . . . 85 SER C . 6785 2
370 . 2 2 85 85 SER CA C 13 57.657 0.460 . 1 . . . . 85 SER CA . 6785 2
371 . 2 2 85 85 SER CB C 13 61.961 0.460 . 1 . . . . 85 SER CB . 6785 2
372 . 2 2 85 85 SER N N 15 112.66 0.440 . 1 . . . . 85 SER N . 6785 2
373 . 2 2 86 86 LEU H H 1 7.946 0.015 . 1 . . . . 86 LEU H . 6785 2
374 . 2 2 86 86 LEU C C 13 177.219 0.380 . 1 . . . . 86 LEU C . 6785 2
375 . 2 2 86 86 LEU CA C 13 56.477 0.460 . 1 . . . . 86 LEU CA . 6785 2
376 . 2 2 86 86 LEU CB C 13 41.779 0.460 . 1 . . . . 86 LEU CB . 6785 2
377 . 2 2 86 86 LEU N N 15 118.704 0.440 . 1 . . . . 86 LEU N . 6785 2
378 . 2 2 87 87 ARG H H 1 9.821 0.015 . 1 . . . . 87 ARG H . 6785 2
379 . 2 2 87 87 ARG C C 13 177.262 0.380 . 1 . . . . 87 ARG C . 6785 2
380 . 2 2 87 87 ARG CA C 13 53.791 0.460 . 1 . . . . 87 ARG CA . 6785 2
381 . 2 2 87 87 ARG CB C 13 33.662 0.460 . 1 . . . . 87 ARG CB . 6785 2
382 . 2 2 87 87 ARG N N 15 122.111 0.440 . 1 . . . . 87 ARG N . 6785 2
383 . 2 2 88 88 SER H H 1 9.155 0.015 . 1 . . . . 88 SER H . 6785 2
384 . 2 2 88 88 SER C C 13 177.28 0.380 . 1 . . . . 88 SER C . 6785 2
385 . 2 2 88 88 SER CA C 13 62.644 0.460 . 1 . . . . 88 SER CA . 6785 2
386 . 2 2 88 88 SER CB C 13 62.498 0.460 . 1 . . . . 88 SER CB . 6785 2
387 . 2 2 88 88 SER N N 15 118.99 0.440 . 1 . . . . 88 SER N . 6785 2
388 . 2 2 89 89 GLU H H 1 9.187 0.015 . 1 . . . . 89 GLU H . 6785 2
389 . 2 2 89 89 GLU C C 13 175.835 0.380 . 1 . . . . 89 GLU C . 6785 2
390 . 2 2 89 89 GLU CA C 13 58.148 0.460 . 1 . . . . 89 GLU CA . 6785 2
391 . 2 2 89 89 GLU CB C 13 27.51 0.460 . 1 . . . . 89 GLU CB . 6785 2
392 . 2 2 89 89 GLU N N 15 118.646 0.440 . 1 . . . . 89 GLU N . 6785 2
393 . 2 2 90 90 ASP H H 1 8.441 0.015 . 1 . . . . 90 ASP H . 6785 2
394 . 2 2 90 90 ASP C C 13 177.226 0.380 . 1 . . . . 90 ASP C . 6785 2
395 . 2 2 90 90 ASP CA C 13 54.716 0.460 . 1 . . . . 90 ASP CA . 6785 2
396 . 2 2 90 90 ASP CB C 13 42.216 0.460 . 1 . . . . 90 ASP CB . 6785 2
397 . 2 2 90 90 ASP N N 15 118.563 0.440 . 1 . . . . 90 ASP N . 6785 2
398 . 2 2 91 91 THR H H 1 7.87 0.015 . 1 . . . . 91 THR H . 6785 2
399 . 2 2 91 91 THR C C 13 173.881 0.380 . 1 . . . . 91 THR C . 6785 2
400 . 2 2 91 91 THR CA C 13 64.438 0.460 . 1 . . . . 91 THR CA . 6785 2
401 . 2 2 91 91 THR CB C 13 69.725 0.460 . 1 . . . . 91 THR CB . 6785 2
402 . 2 2 91 91 THR N N 15 120.732 0.440 . 1 . . . . 91 THR N . 6785 2
403 . 2 2 92 92 ALA H H 1 9.037 0.015 . 1 . . . . 92 ALA H . 6785 2
404 . 2 2 92 92 ALA C C 13 175.335 0.380 . 1 . . . . 92 ALA C . 6785 2
405 . 2 2 92 92 ALA CA C 13 52.234 0.460 . 1 . . . . 92 ALA CA . 6785 2
406 . 2 2 92 92 ALA CB C 13 20.807 0.460 . 1 . . . . 92 ALA CB . 6785 2
407 . 2 2 92 92 ALA N N 15 127.824 0.440 . 1 . . . . 92 ALA N . 6785 2
408 . 2 2 93 93 MET H H 1 8.5 0.015 . 1 . . . . 93 MET H . 6785 2
409 . 2 2 93 93 MET C C 13 175.347 0.380 . 1 . . . . 93 MET C . 6785 2
410 . 2 2 93 93 MET CA C 13 54.014 0.460 . 1 . . . . 93 MET CA . 6785 2
411 . 2 2 93 93 MET CB C 13 32.737 0.460 . 1 . . . . 93 MET CB . 6785 2
412 . 2 2 93 93 MET N N 15 119.583 0.440 . 1 . . . . 93 MET N . 6785 2
413 . 2 2 94 94 TYR H H 1 9.361 0.015 . 1 . . . . 94 TYR H . 6785 2
414 . 2 2 94 94 TYR CA C 13 58.836 0.460 . 1 . . . . 94 TYR CA . 6785 2
415 . 2 2 94 94 TYR N N 15 127.637 0.440 . 1 . . . . 94 TYR N . 6785 2
416 . 2 2 96 96 CYS C C 13 171.603 0.380 . 1 . . . . 96 CYS C . 6785 2
417 . 2 2 96 96 CYS CA C 13 52.624 0.460 . 1 . . . . 96 CYS CA . 6785 2
418 . 2 2 96 96 CYS CB C 13 44.207 0.460 . 1 . . . . 96 CYS CB . 6785 2
419 . 2 2 97 97 ALA H H 1 8.399 0.015 . 1 . . . . 97 ALA H . 6785 2
420 . 2 2 97 97 ALA C C 13 175.363 0.380 . 1 . . . . 97 ALA C . 6785 2
421 . 2 2 97 97 ALA CA C 13 49.904 0.460 . 1 . . . . 97 ALA CA . 6785 2
422 . 2 2 97 97 ALA CB C 13 18.599 0.460 . 1 . . . . 97 ALA CB . 6785 2
423 . 2 2 97 97 ALA N N 15 124.671 0.440 . 1 . . . . 97 ALA N . 6785 2
424 . 2 2 98 98 ARG H H 1 8.648 0.015 . 1 . . . . 98 ARG H . 6785 2
425 . 2 2 98 98 ARG C C 13 173.862 0.380 . 1 . . . . 98 ARG C . 6785 2
426 . 2 2 98 98 ARG CA C 13 55.25 0.460 . 1 . . . . 98 ARG CA . 6785 2
427 . 2 2 98 98 ARG CB C 13 33.812 0.460 . 1 . . . . 98 ARG CB . 6785 2
428 . 2 2 98 98 ARG N N 15 124.021 0.440 . 1 . . . . 98 ARG N . 6785 2
429 . 2 2 99 99 VAL H H 1 8.2 0.015 . 1 . . . . 99 VAL H . 6785 2
430 . 2 2 99 99 VAL C C 13 177.602 0.380 . 1 . . . . 99 VAL C . 6785 2
431 . 2 2 99 99 VAL CA C 13 59.159 0.460 . 1 . . . . 99 VAL CA . 6785 2
432 . 2 2 99 99 VAL N N 15 125.465 0.440 . 1 . . . . 99 VAL N . 6785 2
433 . 2 2 100 100 SER H H 1 8.755 0.015 . 1 . . . . 100 SER H . 6785 2
434 . 2 2 100 100 SER CA C 13 57.312 0.460 . 1 . . . . 100 SER CA . 6785 2
435 . 2 2 100 100 SER N N 15 121.353 0.440 . 1 . . . . 100 SER N . 6785 2
436 . 2 2 101 101 HIS H H 1 8.681 0.015 . 1 . . . . 101 HIS H . 6785 2
437 . 2 2 101 101 HIS N N 15 125.125 0.440 . 1 . . . . 101 HIS N . 6785 2
438 . 2 2 104 104 GLY C C 13 174.617 0.380 . 1 . . . . 104 GLY C . 6785 2
439 . 2 2 104 104 GLY CA C 13 44.414 0.460 . 1 . . . . 104 GLY CA . 6785 2
440 . 2 2 105 105 SER H H 1 7.87 0.015 . 1 . . . . 105 SER H . 6785 2
441 . 2 2 105 105 SER CA C 13 57.176 0.460 . 1 . . . . 105 SER CA . 6785 2
442 . 2 2 105 105 SER CB C 13 62.323 0.460 . 1 . . . . 105 SER CB . 6785 2
443 . 2 2 105 105 SER N N 15 116.534 0.440 . 1 . . . . 105 SER N . 6785 2
444 . 2 2 108 108 TRP C C 13 172.582 0.380 . 1 . . . . 108 TRP C . 6785 2
445 . 2 2 109 109 TYR H H 1 6.024 0.015 . 1 . . . . 109 TYR H . 6785 2
446 . 2 2 109 109 TYR C C 13 175.345 0.380 . 1 . . . . 109 TYR C . 6785 2
447 . 2 2 109 109 TYR CA C 13 54.274 0.460 . 1 . . . . 109 TYR CA . 6785 2
448 . 2 2 109 109 TYR CB C 13 38.589 0.460 . 1 . . . . 109 TYR CB . 6785 2
449 . 2 2 109 109 TYR N N 15 115.546 0.440 . 1 . . . . 109 TYR N . 6785 2
450 . 2 2 110 110 PHE H H 1 9.269 0.015 . 1 . . . . 110 PHE H . 6785 2
451 . 2 2 110 110 PHE C C 13 175.714 0.380 . 1 . . . . 110 PHE C . 6785 2
452 . 2 2 110 110 PHE CA C 13 54.6 0.460 . 1 . . . . 110 PHE CA . 6785 2
453 . 2 2 110 110 PHE CB C 13 38.184 0.460 . 1 . . . . 110 PHE CB . 6785 2
454 . 2 2 110 110 PHE N N 15 122.09 0.440 . 1 . . . . 110 PHE N . 6785 2
455 . 2 2 111 111 ASP H H 1 8.592 0.015 . 1 . . . . 111 ASP H . 6785 2
456 . 2 2 111 111 ASP C C 13 176.476 0.380 . 1 . . . . 111 ASP C . 6785 2
457 . 2 2 111 111 ASP CA C 13 53.853 0.460 . 1 . . . . 111 ASP CA . 6785 2
458 . 2 2 111 111 ASP CB C 13 41.864 0.460 . 1 . . . . 111 ASP CB . 6785 2
459 . 2 2 111 111 ASP N N 15 122.524 0.440 . 1 . . . . 111 ASP N . 6785 2
460 . 2 2 112 112 VAL H H 1 7.437 0.015 . 1 . . . . 112 VAL H . 6785 2
461 . 2 2 112 112 VAL C C 13 173.103 0.380 . 1 . . . . 112 VAL C . 6785 2
462 . 2 2 112 112 VAL CA C 13 61.996 0.460 . 1 . . . . 112 VAL CA . 6785 2
463 . 2 2 112 112 VAL CB C 13 34.992 0.460 . 1 . . . . 112 VAL CB . 6785 2
464 . 2 2 112 112 VAL N N 15 123.247 0.440 . 1 . . . . 112 VAL N . 6785 2
465 . 2 2 113 113 TRP H H 1 8.732 0.015 . 1 . . . . 113 TRP H . 6785 2
466 . 2 2 113 113 TRP C C 13 178.726 0.380 . 1 . . . . 113 TRP C . 6785 2
467 . 2 2 113 113 TRP CA C 13 55.98 0.460 . 1 . . . . 113 TRP CA . 6785 2
468 . 2 2 113 113 TRP N N 15 126.435 0.440 . 1 . . . . 113 TRP N . 6785 2
469 . 2 2 114 114 GLY H H 1 8.915 0.015 . 1 . . . . 114 GLY H . 6785 2
470 . 2 2 114 114 GLY CA C 13 45.139 0.460 . 1 . . . . 114 GLY CA . 6785 2
471 . 2 2 114 114 GLY N N 15 110.497 0.440 . 1 . . . . 114 GLY N . 6785 2
472 . 2 2 115 115 ALA H H 1 8.802 0.015 . 1 . . . . 115 ALA H . 6785 2
473 . 2 2 115 115 ALA N N 15 122.428 0.440 . 1 . . . . 115 ALA N . 6785 2
474 . 2 2 116 116 GLY C C 13 174.955 0.380 . 1 . . . . 116 GLY C . 6785 2
475 . 2 2 116 116 GLY CA C 13 44.526 0.460 . 1 . . . . 116 GLY CA . 6785 2
476 . 2 2 117 117 THR H H 1 8.506 0.015 . 1 . . . . 117 THR H . 6785 2
477 . 2 2 117 117 THR C C 13 172.748 0.380 . 1 . . . . 117 THR C . 6785 2
478 . 2 2 117 117 THR CA C 13 60.235 0.460 . 1 . . . . 117 THR CA . 6785 2
479 . 2 2 117 117 THR CB C 13 70.267 0.460 . 1 . . . . 117 THR CB . 6785 2
480 . 2 2 117 117 THR N N 15 119.847 0.440 . 1 . . . . 117 THR N . 6785 2
481 . 2 2 118 118 SER H H 1 8.575 0.015 . 1 . . . . 118 SER H . 6785 2
482 . 2 2 118 118 SER C C 13 174.626 0.380 . 1 . . . . 118 SER C . 6785 2
483 . 2 2 118 118 SER CA C 13 59.11 0.460 . 1 . . . . 118 SER CA . 6785 2
484 . 2 2 118 118 SER CB C 13 63.802 0.460 . 1 . . . . 118 SER CB . 6785 2
485 . 2 2 118 118 SER N N 15 125.684 0.440 . 1 . . . . 118 SER N . 6785 2
486 . 2 2 119 119 VAL H H 1 8.893 0.015 . 1 . . . . 119 VAL H . 6785 2
487 . 2 2 119 119 VAL C C 13 175.354 0.380 . 1 . . . . 119 VAL C . 6785 2
488 . 2 2 119 119 VAL CA C 13 61.701 0.460 . 1 . . . . 119 VAL CA . 6785 2
489 . 2 2 119 119 VAL CB C 13 33.703 0.460 . 1 . . . . 119 VAL CB . 6785 2
490 . 2 2 119 119 VAL N N 15 128.204 0.440 . 1 . . . . 119 VAL N . 6785 2
491 . 2 2 120 120 THR H H 1 8.505 0.015 . 1 . . . . 120 THR H . 6785 2
492 . 2 2 120 120 THR C C 13 171.591 0.380 . 1 . . . . 120 THR C . 6785 2
493 . 2 2 120 120 THR CA C 13 61.813 0.460 . 1 . . . . 120 THR CA . 6785 2
494 . 2 2 120 120 THR CB C 13 70.136 0.460 . 1 . . . . 120 THR CB . 6785 2
495 . 2 2 120 120 THR N N 15 125.444 0.440 . 1 . . . . 120 THR N . 6785 2
496 . 2 2 121 121 VAL H H 1 8.44 0.015 . 1 . . . . 121 VAL H . 6785 2
497 . 2 2 121 121 VAL C C 13 176.101 0.380 . 1 . . . . 121 VAL C . 6785 2
498 . 2 2 121 121 VAL CA C 13 59.804 0.460 . 1 . . . . 121 VAL CA . 6785 2
499 . 2 2 121 121 VAL CB C 13 30.537 0.460 . 1 . . . . 121 VAL CB . 6785 2
500 . 2 2 121 121 VAL N N 15 129.093 0.440 . 1 . . . . 121 VAL N . 6785 2
501 . 2 2 122 122 SER H H 1 8.631 0.015 . 1 . . . . 122 SER H . 6785 2
502 . 2 2 122 122 SER C C 13 174.226 0.380 . 1 . . . . 122 SER C . 6785 2
503 . 2 2 122 122 SER CA C 13 56.766 0.460 . 1 . . . . 122 SER CA . 6785 2
504 . 2 2 122 122 SER CB C 13 64.804 0.460 . 1 . . . . 122 SER CB . 6785 2
505 . 2 2 122 122 SER N N 15 120.726 0.440 . 1 . . . . 122 SER N . 6785 2
506 . 2 2 123 123 SER H H 1 8.879 0.015 . 1 . . . . 123 SER H . 6785 2
507 . 2 2 123 123 SER C C 13 174.542 0.380 . 1 . . . . 123 SER C . 6785 2
508 . 2 2 123 123 SER CA C 13 58.958 0.460 . 1 . . . . 123 SER CA . 6785 2
509 . 2 2 123 123 SER CB C 13 63.528 0.460 . 1 . . . . 123 SER CB . 6785 2
510 . 2 2 123 123 SER N N 15 121.682 0.440 . 1 . . . . 123 SER N . 6785 2
511 . 2 2 124 124 ALA H H 1 8.38 0.015 . 1 . . . . 124 ALA H . 6785 2
512 . 2 2 124 124 ALA C C 13 177.613 0.380 . 1 . . . . 124 ALA C . 6785 2
513 . 2 2 124 124 ALA CA C 13 52.612 0.460 . 1 . . . . 124 ALA CA . 6785 2
514 . 2 2 124 124 ALA CB C 13 18.408 0.460 . 1 . . . . 124 ALA CB . 6785 2
515 . 2 2 124 124 ALA N N 15 125.97 0.440 . 1 . . . . 124 ALA N . 6785 2
516 . 2 2 125 125 ALA H H 1 8.091 0.015 . 1 . . . . 125 ALA H . 6785 2
517 . 2 2 125 125 ALA C C 13 177.599 0.380 . 1 . . . . 125 ALA C . 6785 2
518 . 2 2 125 125 ALA CA C 13 52.515 0.460 . 1 . . . . 125 ALA CA . 6785 2
519 . 2 2 125 125 ALA CB C 13 18.45 0.460 . 1 . . . . 125 ALA CB . 6785 2
520 . 2 2 125 125 ALA N N 15 122.672 0.440 . 1 . . . . 125 ALA N . 6785 2
521 . 2 2 126 126 ALA H H 1 8.046 0.015 . 1 . . . . 126 ALA H . 6785 2
522 . 2 2 126 126 ALA C C 13 177.606 0.380 . 1 . . . . 126 ALA C . 6785 2
523 . 2 2 126 126 ALA CA C 13 52.239 0.460 . 1 . . . . 126 ALA CA . 6785 2
524 . 2 2 126 126 ALA CB C 13 18.683 0.460 . 1 . . . . 126 ALA CB . 6785 2
525 . 2 2 126 126 ALA N N 15 122.23 0.440 . 1 . . . . 126 ALA N . 6785 2
526 . 2 2 127 127 LEU H H 1 8.007 0.015 . 1 . . . . 127 LEU H . 6785 2
527 . 2 2 127 127 LEU CA C 13 54.989 0.460 . 1 . . . . 127 LEU CA . 6785 2
528 . 2 2 127 127 LEU CB C 13 41.492 0.460 . 1 . . . . 127 LEU CB . 6785 2
529 . 2 2 127 127 LEU N N 15 120.939 0.440 . 1 . . . . 127 LEU N . 6785 2
530 . 2 2 128 128 GLU H H 1 8.191 0.015 . 1 . . . . 128 GLU H . 6785 2
531 . 2 2 128 128 GLU C C 13 176.321 0.380 . 1 . . . . 128 GLU C . 6785 2
532 . 2 2 128 128 GLU CA C 13 56.2 0.460 . 1 . . . . 128 GLU CA . 6785 2
533 . 2 2 128 128 GLU CB C 13 29.825 0.460 . 1 . . . . 128 GLU CB . 6785 2
534 . 2 2 128 128 GLU N N 15 121.414 0.440 . 1 . . . . 128 GLU N . 6785 2
535 . 2 2 129 129 HIS H H 1 8.372 0.015 . 1 . . . . 129 HIS H . 6785 2
536 . 2 2 129 129 HIS C C 13 173.842 0.380 . 1 . . . . 129 HIS C . 6785 2
537 . 2 2 129 129 HIS CA C 13 55.319 0.460 . 1 . . . . 129 HIS CA . 6785 2
538 . 2 2 129 129 HIS CB C 13 29.316 0.460 . 1 . . . . 129 HIS CB . 6785 2
539 . 2 2 129 129 HIS N N 15 119.91 0.440 . 1 . . . . 129 HIS N . 6785 2
540 . 2 2 130 130 HIS H H 1 8.294 0.015 . 1 . . . . 130 HIS H . 6785 2
541 . 2 2 130 130 HIS CA C 13 56.903 0.460 . 1 . . . . 130 HIS CA . 6785 2
stop_
save_