###################################
# 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_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52197
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Chemical shifts observed in the outward-open conformation of Bj-SemiSWEET'
_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 $chem_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 NCACX . . . 52197 1
2 NCOCX . . . 52197 1
3 CONCA . . . 52197 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 $software_1 . . 52197 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 PRO C C 13 178.695 0.3 . 1 . . . . . 3 PRO C . 52197 1
2 . 1 . 1 3 3 PRO CA C 13 64.774 0.3 . 1 . . . . . 3 PRO CA . 52197 1
3 . 1 . 1 3 3 PRO CB C 13 32.207 0.3 . 1 . . . . . 3 PRO CB . 52197 1
4 . 1 . 1 3 3 PRO CG C 13 27.387 0.3 . 1 . . . . . 3 PRO CG . 52197 1
5 . 1 . 1 3 3 PRO CD C 13 51.286 0.3 . 1 . . . . . 3 PRO CD . 52197 1
6 . 1 . 1 3 3 PRO N N 15 139.025 0.3 . 1 . . . . . 3 PRO N . 52197 1
7 . 1 . 1 4 4 PHE C C 13 180.023 0.3 . 1 . . . . . 4 PHE C . 52197 1
8 . 1 . 1 4 4 PHE CA C 13 60.565 0.3 . 1 . . . . . 4 PHE CA . 52197 1
9 . 1 . 1 4 4 PHE CB C 13 38.164 0.3 . 1 . . . . . 4 PHE CB . 52197 1
10 . 1 . 1 4 4 PHE N N 15 119.835 0.3 . 1 . . . . . 4 PHE N . 52197 1
11 . 1 . 1 5 5 LEU C C 13 178.28 0.3 . 1 . . . . . 5 LEU C . 52197 1
12 . 1 . 1 5 5 LEU CA C 13 57.094 0.3 . 1 . . . . . 5 LEU CA . 52197 1
13 . 1 . 1 5 5 LEU CB C 13 42.253 0.3 . 1 . . . . . 5 LEU CB . 52197 1
14 . 1 . 1 5 5 LEU N N 15 118.178 0.3 . 1 . . . . . 5 LEU N . 52197 1
15 . 1 . 1 6 6 ILE C C 13 177.636 0.3 . 1 . . . . . 6 ILE C . 52197 1
16 . 1 . 1 6 6 ILE CA C 13 66.211 0.3 . 1 . . . . . 6 ILE CA . 52197 1
17 . 1 . 1 6 6 ILE CB C 13 38.145 0.3 . 1 . . . . . 6 ILE CB . 52197 1
18 . 1 . 1 6 6 ILE CG1 C 13 29.318 0.3 . 1 . . . . . 6 ILE CG1 . 52197 1
19 . 1 . 1 6 6 ILE N N 15 116.771 0.3 . 1 . . . . . 6 ILE N . 52197 1
20 . 1 . 1 7 7 LYS C C 13 177.651 0.3 . 1 . . . . . 7 LYS C . 52197 1
21 . 1 . 1 7 7 LYS CA C 13 58.44 0.3 . 1 . . . . . 7 LYS CA . 52197 1
22 . 1 . 1 7 7 LYS CB C 13 31.595 0.3 . 1 . . . . . 7 LYS CB . 52197 1
23 . 1 . 1 7 7 LYS N N 15 119.976 0.3 . 1 . . . . . 7 LYS N . 52197 1
24 . 1 . 1 8 8 LEU C C 13 178.711 0.3 . 1 . . . . . 8 LEU C . 52197 1
25 . 1 . 1 8 8 LEU CA C 13 58.412 0.3 . 1 . . . . . 8 LEU CA . 52197 1
26 . 1 . 1 8 8 LEU CB C 13 41.374 0.3 . 1 . . . . . 8 LEU CB . 52197 1
27 . 1 . 1 8 8 LEU CG C 13 27.759 0.3 . 1 . . . . . 8 LEU CG . 52197 1
28 . 1 . 1 8 8 LEU N N 15 121.407 0.3 . 1 . . . . . 8 LEU N . 52197 1
29 . 1 . 1 9 9 ILE C C 13 177.411 0.3 . 1 . . . . . 9 ILE C . 52197 1
30 . 1 . 1 9 9 ILE CA C 13 66.154 0.3 . 1 . . . . . 9 ILE CA . 52197 1
31 . 1 . 1 9 9 ILE CB C 13 37.624 0.3 . 1 . . . . . 9 ILE CB . 52197 1
32 . 1 . 1 9 9 ILE CG1 C 13 27.429 0.3 . 1 . . . . . 9 ILE CG1 . 52197 1
33 . 1 . 1 9 9 ILE CG2 C 13 18.186 0.3 . 1 . . . . . 9 ILE CG2 . 52197 1
34 . 1 . 1 9 9 ILE CD1 C 13 14.38 0.3 . 1 . . . . . 9 ILE CD1 . 52197 1
35 . 1 . 1 9 9 ILE N N 15 119.508 0.3 . 1 . . . . . 9 ILE N . 52197 1
36 . 1 . 1 10 10 GLY C C 13 175.251 0.3 . 1 . . . . . 10 GLY C . 52197 1
37 . 1 . 1 10 10 GLY CA C 13 46.476 0.3 . 1 . . . . . 10 GLY CA . 52197 1
38 . 1 . 1 10 10 GLY N N 15 106.723 0.3 . 1 . . . . . 10 GLY N . 52197 1
39 . 1 . 1 11 11 PHE C C 13 176.465 0.3 . 1 . . . . . 11 PHE C . 52197 1
40 . 1 . 1 11 11 PHE CA C 13 58.067 0.3 . 1 . . . . . 11 PHE CA . 52197 1
41 . 1 . 1 11 11 PHE CB C 13 38.714 0.3 . 1 . . . . . 11 PHE CB . 52197 1
42 . 1 . 1 11 11 PHE N N 15 122.05 0.3 . 1 . . . . . 11 PHE N . 52197 1
43 . 1 . 1 12 12 ALA C C 13 178.501 0.3 . 1 . . . . . 12 ALA C . 52197 1
44 . 1 . 1 12 12 ALA CA C 13 55.515 0.3 . 1 . . . . . 12 ALA CA . 52197 1
45 . 1 . 1 12 12 ALA CB C 13 18.454 0.3 . 1 . . . . . 12 ALA CB . 52197 1
46 . 1 . 1 12 12 ALA N N 15 123.112 0.3 . 1 . . . . . 12 ALA N . 52197 1
47 . 1 . 1 13 13 ALA C C 13 178.396 0.3 . 1 . . . . . 13 ALA C . 52197 1
48 . 1 . 1 13 13 ALA CA C 13 55.477 0.3 . 1 . . . . . 13 ALA CA . 52197 1
49 . 1 . 1 13 13 ALA CB C 13 15.123 0.3 . 1 . . . . . 13 ALA CB . 52197 1
50 . 1 . 1 13 13 ALA N N 15 123.236 0.3 . 1 . . . . . 13 ALA N . 52197 1
51 . 1 . 1 14 14 ALA C C 13 180.435 0.3 . 1 . . . . . 14 ALA C . 52197 1
52 . 1 . 1 14 14 ALA CA C 13 53.8 0.3 . 1 . . . . . 14 ALA CA . 52197 1
53 . 1 . 1 14 14 ALA CB C 13 18.933 0.3 . 1 . . . . . 14 ALA CB . 52197 1
54 . 1 . 1 14 14 ALA N N 15 116.987 0.3 . 1 . . . . . 14 ALA N . 52197 1
55 . 1 . 1 15 15 THR C C 13 176.495 0.3 . 1 . . . . . 15 THR C . 52197 1
56 . 1 . 1 15 15 THR CA C 13 68.087 0.3 . 1 . . . . . 15 THR CA . 52197 1
57 . 1 . 1 15 15 THR CB C 13 65.31 0.3 . 1 . . . . . 15 THR CB . 52197 1
58 . 1 . 1 15 15 THR CG2 C 13 19.138 0.3 . 1 . . . . . 15 THR CG2 . 52197 1
59 . 1 . 1 15 15 THR N N 15 116.066 0.3 . 1 . . . . . 15 THR N . 52197 1
60 . 1 . 1 16 16 CYS C C 13 176.512 0.3 . 1 . . . . . 16 CYS C . 52197 1
61 . 1 . 1 16 16 CYS CA C 13 65.362 0.3 . 1 . . . . . 16 CYS CA . 52197 1
62 . 1 . 1 16 16 CYS CB C 13 27.533 0.3 . 1 . . . . . 16 CYS CB . 52197 1
63 . 1 . 1 16 16 CYS N N 15 118.566 0.3 . 1 . . . . . 16 CYS N . 52197 1
64 . 1 . 1 17 17 THR C C 13 176.581 0.3 . 1 . . . . . 17 THR C . 52197 1
65 . 1 . 1 17 17 THR CA C 13 65.756 0.3 . 1 . . . . . 17 THR CA . 52197 1
66 . 1 . 1 17 17 THR CB C 13 68.099 0.3 . 1 . . . . . 17 THR CB . 52197 1
67 . 1 . 1 17 17 THR CG2 C 13 21.656 0.3 . 1 . . . . . 17 THR CG2 . 52197 1
68 . 1 . 1 17 17 THR N N 15 107.247 0.3 . 1 . . . . . 17 THR N . 52197 1
69 . 1 . 1 18 18 THR C C 13 174.731 0.3 . 1 . . . . . 18 THR C . 52197 1
70 . 1 . 1 18 18 THR CA C 13 65.258 0.3 . 1 . . . . . 18 THR CA . 52197 1
71 . 1 . 1 18 18 THR CB C 13 67.938 0.3 . 1 . . . . . 18 THR CB . 52197 1
72 . 1 . 1 18 18 THR CG2 C 13 22.218 0.3 . 1 . . . . . 18 THR CG2 . 52197 1
73 . 1 . 1 18 18 THR N N 15 107.555 0.3 . 1 . . . . . 18 THR N . 52197 1
74 . 1 . 1 19 19 VAL C C 13 177.984 0.3 . 1 . . . . . 19 VAL C . 52197 1
75 . 1 . 1 19 19 VAL CA C 13 65.547 0.3 . 1 . . . . . 19 VAL CA . 52197 1
76 . 1 . 1 19 19 VAL CB C 13 31.412 0.3 . 1 . . . . . 19 VAL CB . 52197 1
77 . 1 . 1 19 19 VAL CG1 C 13 22.775 0.3 . 2 . . . . . 19 VAL CG1 . 52197 1
78 . 1 . 1 19 19 VAL CG2 C 13 21.552 0.3 . 2 . . . . . 19 VAL CG2 . 52197 1
79 . 1 . 1 19 19 VAL N N 15 116.434 0.3 . 1 . . . . . 19 VAL N . 52197 1
80 . 1 . 1 20 20 ALA C C 13 177.48 0.3 . 1 . . . . . 20 ALA C . 52197 1
81 . 1 . 1 20 20 ALA CA C 13 55.369 0.3 . 1 . . . . . 20 ALA CA . 52197 1
82 . 1 . 1 20 20 ALA CB C 13 18.221 0.3 . 1 . . . . . 20 ALA CB . 52197 1
83 . 1 . 1 20 20 ALA N N 15 121.963 0.3 . 1 . . . . . 20 ALA N . 52197 1
84 . 1 . 1 21 21 TYR C C 13 179.641 0.3 . 1 . . . . . 21 TYR C . 52197 1
85 . 1 . 1 21 21 TYR CA C 13 61.116 0.3 . 1 . . . . . 21 TYR CA . 52197 1
86 . 1 . 1 21 21 TYR CB C 13 41.015 0.3 . 1 . . . . . 21 TYR CB . 52197 1
87 . 1 . 1 21 21 TYR N N 15 107.676 0.3 . 1 . . . . . 21 TYR N . 52197 1
88 . 1 . 1 22 22 ALA C C 13 176.27 0.3 . 1 . . . . . 22 ALA C . 52197 1
89 . 1 . 1 22 22 ALA CA C 13 56.921 0.3 . 1 . . . . . 22 ALA CA . 52197 1
90 . 1 . 1 22 22 ALA CB C 13 15.876 0.3 . 1 . . . . . 22 ALA CB . 52197 1
91 . 1 . 1 22 22 ALA N N 15 121.926 0.3 . 1 . . . . . 22 ALA N . 52197 1
92 . 1 . 1 23 23 PRO C C 13 178.535 0.3 . 1 . . . . . 23 PRO C . 52197 1
93 . 1 . 1 23 23 PRO CA C 13 65.395 0.3 . 1 . . . . . 23 PRO CA . 52197 1
94 . 1 . 1 23 23 PRO CB C 13 31.32 0.3 . 1 . . . . . 23 PRO CB . 52197 1
95 . 1 . 1 23 23 PRO CG C 13 28.179 0.3 . 1 . . . . . 23 PRO CG . 52197 1
96 . 1 . 1 23 23 PRO CD C 13 49.514 0.3 . 1 . . . . . 23 PRO CD . 52197 1
97 . 1 . 1 23 23 PRO N N 15 132.557 0.3 . 1 . . . . . 23 PRO N . 52197 1
98 . 1 . 1 24 24 GLN C C 13 177.288 0.3 . 1 . . . . . 24 GLN C . 52197 1
99 . 1 . 1 24 24 GLN CA C 13 57.845 0.3 . 1 . . . . . 24 GLN CA . 52197 1
100 . 1 . 1 24 24 GLN CB C 13 31.469 0.3 . 1 . . . . . 24 GLN CB . 52197 1
101 . 1 . 1 24 24 GLN CG C 13 34.175 0.3 . 1 . . . . . 24 GLN CG . 52197 1
102 . 1 . 1 24 24 GLN CD C 13 178.65 0.3 . 1 . . . . . 24 GLN CD . 52197 1
103 . 1 . 1 24 24 GLN N N 15 115.299 0.3 . 1 . . . . . 24 GLN N . 52197 1
104 . 1 . 1 25 25 PHE C C 13 176.422 0.3 . 1 . . . . . 25 PHE C . 52197 1
105 . 1 . 1 25 25 PHE CA C 13 60.576 0.3 . 1 . . . . . 25 PHE CA . 52197 1
106 . 1 . 1 25 25 PHE CB C 13 39.697 0.3 . 1 . . . . . 25 PHE CB . 52197 1
107 . 1 . 1 25 25 PHE N N 15 122.919 0.3 . 1 . . . . . 25 PHE N . 52197 1
108 . 1 . 1 26 26 ILE C C 13 178.035 0.3 . 1 . . . . . 26 ILE C . 52197 1
109 . 1 . 1 26 26 ILE CA C 13 65.193 0.3 . 1 . . . . . 26 ILE CA . 52197 1
110 . 1 . 1 26 26 ILE CB C 13 38.285 0.3 . 1 . . . . . 26 ILE CB . 52197 1
111 . 1 . 1 26 26 ILE CG1 C 13 31.622 0.3 . 1 . . . . . 26 ILE CG1 . 52197 1
112 . 1 . 1 26 26 ILE CG2 C 13 17.748 0.3 . 1 . . . . . 26 ILE CG2 . 52197 1
113 . 1 . 1 26 26 ILE CD1 C 13 13.469 0.3 . 1 . . . . . 26 ILE CD1 . 52197 1
114 . 1 . 1 26 26 ILE N N 15 116.972 0.3 . 1 . . . . . 26 ILE N . 52197 1
115 . 1 . 1 27 27 LYS C C 13 178.035 0.3 . 1 . . . . . 27 LYS C . 52197 1
116 . 1 . 1 27 27 LYS CA C 13 58.049 0.3 . 1 . . . . . 27 LYS CA . 52197 1
117 . 1 . 1 27 27 LYS CB C 13 31.296 0.3 . 1 . . . . . 27 LYS CB . 52197 1
118 . 1 . 1 27 27 LYS CE C 13 41.414 0.3 . 1 . . . . . 27 LYS CE . 52197 1
119 . 1 . 1 27 27 LYS N N 15 118.268 0.3 . 1 . . . . . 27 LYS N . 52197 1
120 . 1 . 1 27 27 LYS NZ N 15 32.977 0.3 . 1 . . . . . 27 LYS NZ . 52197 1
121 . 1 . 1 28 28 VAL C C 13 178.078 0.3 . 1 . . . . . 28 VAL C . 52197 1
122 . 1 . 1 28 28 VAL CA C 13 67.057 0.3 . 1 . . . . . 28 VAL CA . 52197 1
123 . 1 . 1 28 28 VAL CB C 13 31.331 0.3 . 1 . . . . . 28 VAL CB . 52197 1
124 . 1 . 1 28 28 VAL CG1 C 13 22.963 0.3 . 2 . . . . . 28 VAL CG1 . 52197 1
125 . 1 . 1 28 28 VAL CG2 C 13 21.535 0.3 . 2 . . . . . 28 VAL CG2 . 52197 1
126 . 1 . 1 28 28 VAL N N 15 117.049 0.3 . 1 . . . . . 28 VAL N . 52197 1
127 . 1 . 1 29 29 LEU C C 13 175.296 0.3 . 1 . . . . . 29 LEU C . 52197 1
128 . 1 . 1 29 29 LEU CA C 13 58.015 0.3 . 1 . . . . . 29 LEU CA . 52197 1
129 . 1 . 1 29 29 LEU CB C 13 42.127 0.3 . 1 . . . . . 29 LEU CB . 52197 1
130 . 1 . 1 29 29 LEU CG C 13 26.824 0.3 . 1 . . . . . 29 LEU CG . 52197 1
131 . 1 . 1 29 29 LEU CD1 C 13 24.32 0.3 . 2 . . . . . 29 LEU CD1 . 52197 1
132 . 1 . 1 29 29 LEU N N 15 122.196 0.3 . 1 . . . . . 29 LEU N . 52197 1
133 . 1 . 1 30 30 LYS C C 13 178.791 0.3 . 1 . . . . . 30 LYS C . 52197 1
134 . 1 . 1 30 30 LYS CA C 13 57.945 0.3 . 1 . . . . . 30 LYS CA . 52197 1
135 . 1 . 1 30 30 LYS CB C 13 27.119 0.3 . 1 . . . . . 30 LYS CB . 52197 1
136 . 1 . 1 30 30 LYS CG C 13 24.111 0.3 . 1 . . . . . 30 LYS CG . 52197 1
137 . 1 . 1 30 30 LYS CD C 13 26.279 0.3 . 1 . . . . . 30 LYS CD . 52197 1
138 . 1 . 1 30 30 LYS CE C 13 41.912 0.3 . 1 . . . . . 30 LYS CE . 52197 1
139 . 1 . 1 30 30 LYS N N 15 132.833 0.3 . 1 . . . . . 30 LYS N . 52197 1
140 . 1 . 1 30 30 LYS NZ N 15 33.042 0.3 . 1 . . . . . 30 LYS NZ . 52197 1
141 . 1 . 1 31 31 THR C C 13 175.603 0.3 . 1 . . . . . 31 THR C . 52197 1
142 . 1 . 1 31 31 THR CA C 13 62.054 0.3 . 1 . . . . . 31 THR CA . 52197 1
143 . 1 . 1 31 31 THR CB C 13 70.461 0.3 . 1 . . . . . 31 THR CB . 52197 1
144 . 1 . 1 31 31 THR CG2 C 13 21.742 0.3 . 1 . . . . . 31 THR CG2 . 52197 1
145 . 1 . 1 31 31 THR N N 15 106.148 0.3 . 1 . . . . . 31 THR N . 52197 1
146 . 1 . 1 32 32 ARG C C 13 174.504 0.3 . 1 . . . . . 32 ARG C . 52197 1
147 . 1 . 1 32 32 ARG CA C 13 55.956 0.3 . 1 . . . . . 32 ARG CA . 52197 1
148 . 1 . 1 32 32 ARG CB C 13 27.221 0.3 . 1 . . . . . 32 ARG CB . 52197 1
149 . 1 . 1 32 32 ARG N N 15 120.06 0.3 . 1 . . . . . 32 ARG N . 52197 1
150 . 1 . 1 33 33 SER C C 13 173.241 0.3 . 1 . . . . . 33 SER C . 52197 1
151 . 1 . 1 33 33 SER CA C 13 56.869 0.3 . 1 . . . . . 33 SER CA . 52197 1
152 . 1 . 1 33 33 SER CB C 13 63.335 0.3 . 1 . . . . . 33 SER CB . 52197 1
153 . 1 . 1 33 33 SER N N 15 109.653 0.3 . 1 . . . . . 33 SER N . 52197 1
154 . 1 . 1 34 34 ALA C C 13 175.993 0.3 . 1 . . . . . 34 ALA C . 52197 1
155 . 1 . 1 34 34 ALA CA C 13 50.06 0.3 . 1 . . . . . 34 ALA CA . 52197 1
156 . 1 . 1 34 34 ALA CB C 13 20.321 0.3 . 1 . . . . . 34 ALA CB . 52197 1
157 . 1 . 1 34 34 ALA N N 15 126.493 0.3 . 1 . . . . . 34 ALA N . 52197 1
158 . 1 . 1 35 35 ARG C C 13 178.578 0.3 . 1 . . . . . 35 ARG C . 52197 1
159 . 1 . 1 35 35 ARG CA C 13 60.094 0.3 . 1 . . . . . 35 ARG CA . 52197 1
160 . 1 . 1 35 35 ARG CB C 13 29.93 0.3 . 1 . . . . . 35 ARG CB . 52197 1
161 . 1 . 1 35 35 ARG CG C 13 25.992 0.3 . 1 . . . . . 35 ARG CG . 52197 1
162 . 1 . 1 35 35 ARG CD C 13 42.063 0.3 . 1 . . . . . 35 ARG CD . 52197 1
163 . 1 . 1 35 35 ARG N N 15 126.395 0.3 . 1 . . . . . 35 ARG N . 52197 1
164 . 1 . 1 36 36 ASP C C 13 176.52 0.3 . 1 . . . . . 36 ASP C . 52197 1
165 . 1 . 1 36 36 ASP CA C 13 55.544 0.3 . 1 . . . . . 36 ASP CA . 52197 1
166 . 1 . 1 36 36 ASP CB C 13 42.017 0.3 . 1 . . . . . 36 ASP CB . 52197 1
167 . 1 . 1 36 36 ASP CG C 13 178.28 0.3 . 1 . . . . . 36 ASP CG . 52197 1
168 . 1 . 1 36 36 ASP N N 15 111.803 0.3 . 1 . . . . . 36 ASP N . 52197 1
169 . 1 . 1 37 37 ILE C C 13 175.954 0.3 . 1 . . . . . 37 ILE C . 52197 1
170 . 1 . 1 37 37 ILE CA C 13 59.487 0.3 . 1 . . . . . 37 ILE CA . 52197 1
171 . 1 . 1 37 37 ILE CB C 13 37.784 0.3 . 1 . . . . . 37 ILE CB . 52197 1
172 . 1 . 1 37 37 ILE CG1 C 13 28.237 0.3 . 1 . . . . . 37 ILE CG1 . 52197 1
173 . 1 . 1 37 37 ILE CG2 C 13 17.581 0.3 . 1 . . . . . 37 ILE CG2 . 52197 1
174 . 1 . 1 37 37 ILE N N 15 118.184 0.3 . 1 . . . . . 37 ILE N . 52197 1
175 . 1 . 1 38 38 SER C C 13 175.096 0.3 . 1 . . . . . 38 SER C . 52197 1
176 . 1 . 1 38 38 SER CA C 13 56.202 0.3 . 1 . . . . . 38 SER CA . 52197 1
177 . 1 . 1 38 38 SER CB C 13 62.343 0.3 . 1 . . . . . 38 SER CB . 52197 1
178 . 1 . 1 38 38 SER N N 15 120.296 0.3 . 1 . . . . . 38 SER N . 52197 1
179 . 1 . 1 39 39 LEU C C 13 178.507 0.3 . 1 . . . . . 39 LEU C . 52197 1
180 . 1 . 1 39 39 LEU CA C 13 58.127 0.3 . 1 . . . . . 39 LEU CA . 52197 1
181 . 1 . 1 39 39 LEU CB C 13 42.037 0.3 . 1 . . . . . 39 LEU CB . 52197 1
182 . 1 . 1 39 39 LEU CG C 13 27.116 0.3 . 1 . . . . . 39 LEU CG . 52197 1
183 . 1 . 1 39 39 LEU CD1 C 13 24.239 0.3 . 2 . . . . . 39 LEU CD1 . 52197 1
184 . 1 . 1 39 39 LEU CD2 C 13 23.177 0.3 . 2 . . . . . 39 LEU CD2 . 52197 1
185 . 1 . 1 39 39 LEU N N 15 132.65 0.3 . 1 . . . . . 39 LEU N . 52197 1
186 . 1 . 1 40 40 GLY C C 13 174.441 0.3 . 1 . . . . . 40 GLY C . 52197 1
187 . 1 . 1 40 40 GLY CA C 13 47.693 0.3 . 1 . . . . . 40 GLY CA . 52197 1
188 . 1 . 1 40 40 GLY N N 15 105.972 0.3 . 1 . . . . . 40 GLY N . 52197 1
189 . 1 . 1 41 41 MET C C 13 177.504 0.3 . 1 . . . . . 41 MET C . 52197 1
190 . 1 . 1 41 41 MET CA C 13 58.529 0.3 . 1 . . . . . 41 MET CA . 52197 1
191 . 1 . 1 41 41 MET CB C 13 33.521 0.3 . 1 . . . . . 41 MET CB . 52197 1
192 . 1 . 1 41 41 MET CG C 13 31.909 0.3 . 1 . . . . . 41 MET CG . 52197 1
193 . 1 . 1 41 41 MET N N 15 118.545 0.3 . 1 . . . . . 41 MET N . 52197 1
194 . 1 . 1 42 42 PHE C C 13 177.391 0.3 . 1 . . . . . 42 PHE C . 52197 1
195 . 1 . 1 42 42 PHE CA C 13 64.044 0.3 . 1 . . . . . 42 PHE CA . 52197 1
196 . 1 . 1 42 42 PHE CB C 13 39.498 0.3 . 1 . . . . . 42 PHE CB . 52197 1
197 . 1 . 1 42 42 PHE N N 15 114.877 0.3 . 1 . . . . . 42 PHE N . 52197 1
198 . 1 . 1 43 43 LEU C C 13 178.507 0.3 . 1 . . . . . 43 LEU C . 52197 1
199 . 1 . 1 43 43 LEU CA C 13 58.225 0.3 . 1 . . . . . 43 LEU CA . 52197 1
200 . 1 . 1 43 43 LEU CB C 13 41.633 0.3 . 1 . . . . . 43 LEU CB . 52197 1
201 . 1 . 1 43 43 LEU CG C 13 26.706 0.3 . 1 . . . . . 43 LEU CG . 52197 1
202 . 1 . 1 43 43 LEU N N 15 119.599 0.3 . 1 . . . . . 43 LEU N . 52197 1
203 . 1 . 1 44 44 VAL C C 13 177.394 0.3 . 1 . . . . . 44 VAL C . 52197 1
204 . 1 . 1 44 44 VAL CA C 13 66.036 0.3 . 1 . . . . . 44 VAL CA . 52197 1
205 . 1 . 1 44 44 VAL CB C 13 29.667 0.3 . 1 . . . . . 44 VAL CB . 52197 1
206 . 1 . 1 44 44 VAL CG1 C 13 23.312 0.3 . 2 . . . . . 44 VAL CG1 . 52197 1
207 . 1 . 1 44 44 VAL CG2 C 13 21.823 0.3 . 2 . . . . . 44 VAL CG2 . 52197 1
208 . 1 . 1 44 44 VAL N N 15 119.984 0.3 . 1 . . . . . 44 VAL N . 52197 1
209 . 1 . 1 45 45 MET C C 13 178.51 0.3 . 1 . . . . . 45 MET C . 52197 1
210 . 1 . 1 45 45 MET CA C 13 58.178 0.3 . 1 . . . . . 45 MET CA . 52197 1
211 . 1 . 1 45 45 MET CB C 13 31.612 0.3 . 1 . . . . . 45 MET CB . 52197 1
212 . 1 . 1 45 45 MET CG C 13 29.457 0.3 . 1 . . . . . 45 MET CG . 52197 1
213 . 1 . 1 45 45 MET N N 15 121.088 0.3 . 1 . . . . . 45 MET N . 52197 1
214 . 1 . 1 46 46 VAL C C 13 177.331 0.3 . 1 . . . . . 46 VAL C . 52197 1
215 . 1 . 1 46 46 VAL CA C 13 66.031 0.3 . 1 . . . . . 46 VAL CA . 52197 1
216 . 1 . 1 46 46 VAL CB C 13 31.367 0.3 . 1 . . . . . 46 VAL CB . 52197 1
217 . 1 . 1 46 46 VAL CG1 C 13 23.209 0.3 . 2 . . . . . 46 VAL CG1 . 52197 1
218 . 1 . 1 46 46 VAL CG2 C 13 21.806 0.3 . 2 . . . . . 46 VAL CG2 . 52197 1
219 . 1 . 1 46 46 VAL N N 15 118.899 0.3 . 1 . . . . . 46 VAL N . 52197 1
220 . 1 . 1 47 47 LEU C C 13 178.007 0.3 . 1 . . . . . 47 LEU C . 52197 1
221 . 1 . 1 47 47 LEU CA C 13 58.3 0.3 . 1 . . . . . 47 LEU CA . 52197 1
222 . 1 . 1 47 47 LEU CB C 13 41.251 0.3 . 1 . . . . . 47 LEU CB . 52197 1
223 . 1 . 1 47 47 LEU CG C 13 27.093 0.3 . 1 . . . . . 47 LEU CG . 52197 1
224 . 1 . 1 47 47 LEU CD1 C 13 24.072 0.3 . 2 . . . . . 47 LEU CD1 . 52197 1
225 . 1 . 1 47 47 LEU CD2 C 13 23.102 0.3 . 2 . . . . . 47 LEU CD2 . 52197 1
226 . 1 . 1 47 47 LEU N N 15 120.372 0.3 . 1 . . . . . 47 LEU N . 52197 1
227 . 1 . 1 48 48 GLY C C 13 174.696 0.3 . 1 . . . . . 48 GLY C . 52197 1
228 . 1 . 1 48 48 GLY CA C 13 48.648 0.3 . 1 . . . . . 48 GLY CA . 52197 1
229 . 1 . 1 48 48 GLY N N 15 105.305 0.3 . 1 . . . . . 48 GLY N . 52197 1
230 . 1 . 1 49 49 LEU C C 13 178.809 0.3 . 1 . . . . . 49 LEU C . 52197 1
231 . 1 . 1 49 49 LEU CA C 13 57.749 0.3 . 1 . . . . . 49 LEU CA . 52197 1
232 . 1 . 1 49 49 LEU CB C 13 41.983 0.3 . 1 . . . . . 49 LEU CB . 52197 1
233 . 1 . 1 49 49 LEU CG C 13 26.447 0.3 . 1 . . . . . 49 LEU CG . 52197 1
234 . 1 . 1 49 49 LEU CD1 C 13 22.913 0.3 . 2 . . . . . 49 LEU CD1 . 52197 1
235 . 1 . 1 49 49 LEU N N 15 121.117 0.3 . 1 . . . . . 49 LEU N . 52197 1
236 . 1 . 1 50 50 ALA C C 13 177.476 0.3 . 1 . . . . . 50 ALA C . 52197 1
237 . 1 . 1 50 50 ALA CA C 13 55.307 0.3 . 1 . . . . . 50 ALA CA . 52197 1
238 . 1 . 1 50 50 ALA CB C 13 18.273 0.3 . 1 . . . . . 50 ALA CB . 52197 1
239 . 1 . 1 50 50 ALA N N 15 121.21 0.3 . 1 . . . . . 50 ALA N . 52197 1
240 . 1 . 1 51 51 LEU C C 13 179.17 0.3 . 1 . . . . . 51 LEU C . 52197 1
241 . 1 . 1 51 51 LEU CA C 13 58.037 0.3 . 1 . . . . . 51 LEU CA . 52197 1
242 . 1 . 1 51 51 LEU CB C 13 42.019 0.3 . 1 . . . . . 51 LEU CB . 52197 1
243 . 1 . 1 51 51 LEU CG C 13 26.483 0.3 . 1 . . . . . 51 LEU CG . 52197 1
244 . 1 . 1 51 51 LEU CD1 C 13 22.966 0.3 . 2 . . . . . 51 LEU CD1 . 52197 1
245 . 1 . 1 51 51 LEU N N 15 121.215 0.3 . 1 . . . . . 51 LEU N . 52197 1
246 . 1 . 1 52 52 TRP C C 13 179.973 0.3 . 1 . . . . . 52 TRP C . 52197 1
247 . 1 . 1 52 52 TRP CA C 13 59.758 0.3 . 1 . . . . . 52 TRP CA . 52197 1
248 . 1 . 1 52 52 TRP CB C 13 29.531 0.3 . 1 . . . . . 52 TRP CB . 52197 1
249 . 1 . 1 52 52 TRP N N 15 121.321 0.3 . 1 . . . . . 52 TRP N . 52197 1
250 . 1 . 1 53 53 LEU C C 13 178.803 0.3 . 1 . . . . . 53 LEU C . 52197 1
251 . 1 . 1 53 53 LEU CA C 13 58.788 0.3 . 1 . . . . . 53 LEU CA . 52197 1
252 . 1 . 1 53 53 LEU CB C 13 41.439 0.3 . 1 . . . . . 53 LEU CB . 52197 1
253 . 1 . 1 53 53 LEU CG C 13 26.328 0.3 . 1 . . . . . 53 LEU CG . 52197 1
254 . 1 . 1 53 53 LEU CD1 C 13 23.990 0.3 . 2 . . . . . 53 LEU CD1 . 52197 1
255 . 1 . 1 53 53 LEU N N 15 120.322 0.3 . 1 . . . . . 53 LEU N . 52197 1
256 . 1 . 1 54 54 ILE C C 13 177.403 0.3 . 1 . . . . . 54 ILE C . 52197 1
257 . 1 . 1 54 54 ILE CA C 13 66.01 0.3 . 1 . . . . . 54 ILE CA . 52197 1
258 . 1 . 1 54 54 ILE CB C 13 37.717 0.3 . 1 . . . . . 54 ILE CB . 52197 1
259 . 1 . 1 54 54 ILE CG1 C 13 31.451 0.3 . 1 . . . . . 54 ILE CG1 . 52197 1
260 . 1 . 1 54 54 ILE CG2 C 13 18.224 0.3 . 1 . . . . . 54 ILE CG2 . 52197 1
261 . 1 . 1 54 54 ILE N N 15 118.946 0.3 . 1 . . . . . 54 ILE N . 52197 1
262 . 1 . 1 55 55 TYR C C 13 179.397 0.3 . 1 . . . . . 55 TYR C . 52197 1
263 . 1 . 1 55 55 TYR CA C 13 62.202 0.3 . 1 . . . . . 55 TYR CA . 52197 1
264 . 1 . 1 55 55 TYR CB C 13 38.773 0.3 . 1 . . . . . 55 TYR CB . 52197 1
265 . 1 . 1 55 55 TYR N N 15 120.566 0.3 . 1 . . . . . 55 TYR N . 52197 1
266 . 1 . 1 56 56 GLY C C 13 175.273 0.3 . 1 . . . . . 56 GLY C . 52197 1
267 . 1 . 1 56 56 GLY CA C 13 47.932 0.3 . 1 . . . . . 56 GLY CA . 52197 1
268 . 1 . 1 56 56 GLY N N 15 109.303 0.3 . 1 . . . . . 56 GLY N . 52197 1
269 . 1 . 1 57 57 LEU C C 13 179.714 0.3 . 1 . . . . . 57 LEU C . 52197 1
270 . 1 . 1 57 57 LEU CA C 13 57.993 0.3 . 1 . . . . . 57 LEU CA . 52197 1
271 . 1 . 1 57 57 LEU CB C 13 42.301 0.3 . 1 . . . . . 57 LEU CB . 52197 1
272 . 1 . 1 57 57 LEU CG C 13 27.215 0.3 . 1 . . . . . 57 LEU CG . 52197 1
273 . 1 . 1 57 57 LEU CD1 C 13 24.32 0.3 . 2 . . . . . 57 LEU CD1 . 52197 1
274 . 1 . 1 57 57 LEU N N 15 123.015 0.3 . 1 . . . . . 57 LEU N . 52197 1
275 . 1 . 1 58 58 LEU C C 13 178.398 0.3 . 1 . . . . . 58 LEU C . 52197 1
276 . 1 . 1 58 58 LEU CA C 13 57.066 0.3 . 1 . . . . . 58 LEU CA . 52197 1
277 . 1 . 1 58 58 LEU CB C 13 42.272 0.3 . 1 . . . . . 58 LEU CB . 52197 1
278 . 1 . 1 58 58 LEU CG C 13 26.846 0.3 . 1 . . . . . 58 LEU CG . 52197 1
279 . 1 . 1 58 58 LEU CD1 C 13 23.62 0.3 . 2 . . . . . 58 LEU CD1 . 52197 1
280 . 1 . 1 58 58 LEU CD2 C 13 22.768 0.3 . 2 . . . . . 58 LEU CD2 . 52197 1
281 . 1 . 1 58 58 LEU N N 15 117.496 0.3 . 1 . . . . . 58 LEU N . 52197 1
282 . 1 . 1 59 59 SER C C 13 174.917 0.3 . 1 . . . . . 59 SER C . 52197 1
283 . 1 . 1 59 59 SER CA C 13 58.46 0.3 . 1 . . . . . 59 SER CA . 52197 1
284 . 1 . 1 59 59 SER CB C 13 63.972 0.3 . 1 . . . . . 59 SER CB . 52197 1
285 . 1 . 1 59 59 SER N N 15 111.106 0.3 . 1 . . . . . 59 SER N . 52197 1
286 . 1 . 1 60 60 GLY C C 13 173.701 0.3 . 1 . . . . . 60 GLY C . 52197 1
287 . 1 . 1 60 60 GLY CA C 13 46.848 0.3 . 1 . . . . . 60 GLY CA . 52197 1
288 . 1 . 1 60 60 GLY N N 15 112.398 0.3 . 1 . . . . . 60 GLY N . 52197 1
289 . 1 . 1 61 61 ASP C C 13 174.485 0.3 . 1 . . . . . 61 ASP C . 52197 1
290 . 1 . 1 61 61 ASP CA C 13 52.051 0.3 . 1 . . . . . 61 ASP CA . 52197 1
291 . 1 . 1 61 61 ASP CB C 13 41.647 0.3 . 1 . . . . . 61 ASP CB . 52197 1
292 . 1 . 1 61 61 ASP CG C 13 179.551 0.3 . 1 . . . . . 61 ASP CG . 52197 1
293 . 1 . 1 61 61 ASP N N 15 120.488 0.3 . 1 . . . . . 61 ASP N . 52197 1
294 . 1 . 1 62 62 ALA C C 13 176.157 0.3 . 1 . . . . . 62 ALA C . 52197 1
295 . 1 . 1 62 62 ALA CA C 13 56.611 0.3 . 1 . . . . . 62 ALA CA . 52197 1
296 . 1 . 1 62 62 ALA CB C 13 16.531 0.3 . 1 . . . . . 62 ALA CB . 52197 1
297 . 1 . 1 62 62 ALA N N 15 125.72 0.3 . 1 . . . . . 62 ALA N . 52197 1
298 . 1 . 1 63 63 PRO C C 13 178.927 0.3 . 1 . . . . . 63 PRO C . 52197 1
299 . 1 . 1 63 63 PRO CA C 13 66.246 0.3 . 1 . . . . . 63 PRO CA . 52197 1
300 . 1 . 1 63 63 PRO CB C 13 30.98 0.3 . 1 . . . . . 63 PRO CB . 52197 1
301 . 1 . 1 63 63 PRO CG C 13 28.938 0.3 . 1 . . . . . 63 PRO CG . 52197 1
302 . 1 . 1 63 63 PRO CD C 13 49.672 0.3 . 1 . . . . . 63 PRO CD . 52197 1
303 . 1 . 1 63 63 PRO N N 15 134.734 0.3 . 1 . . . . . 63 PRO N . 52197 1
304 . 1 . 1 64 64 LEU C C 13 180.999 0.3 . 1 . . . . . 64 LEU C . 52197 1
305 . 1 . 1 64 64 LEU CA C 13 58.189 0.3 . 1 . . . . . 64 LEU CA . 52197 1
306 . 1 . 1 64 64 LEU CB C 13 42.102 0.3 . 1 . . . . . 64 LEU CB . 52197 1
307 . 1 . 1 64 64 LEU CG C 13 27.163 0.3 . 1 . . . . . 64 LEU CG . 52197 1
308 . 1 . 1 64 64 LEU N N 15 118.606 0.3 . 1 . . . . . 64 LEU N . 52197 1
309 . 1 . 1 65 65 ILE C C 13 176.797 0.3 . 1 . . . . . 65 ILE C . 52197 1
310 . 1 . 1 65 65 ILE CA C 13 65.451 0.3 . 1 . . . . . 65 ILE CA . 52197 1
311 . 1 . 1 65 65 ILE CB C 13 38.547 0.3 . 1 . . . . . 65 ILE CB . 52197 1
312 . 1 . 1 65 65 ILE CG1 C 13 29.517 0.3 . 1 . . . . . 65 ILE CG1 . 52197 1
313 . 1 . 1 65 65 ILE CG2 C 13 17.764 0.3 . 1 . . . . . 65 ILE CG2 . 52197 1
314 . 1 . 1 65 65 ILE CD1 C 13 15.091 0.3 . 1 . . . . . 65 ILE CD1 . 52197 1
315 . 1 . 1 65 65 ILE N N 15 121.607 0.3 . 1 . . . . . 65 ILE N . 52197 1
316 . 1 . 1 66 66 ALA C C 13 176.637 0.3 . 1 . . . . . 66 ALA C . 52197 1
317 . 1 . 1 66 66 ALA CA C 13 55.642 0.3 . 1 . . . . . 66 ALA CA . 52197 1
318 . 1 . 1 66 66 ALA CB C 13 19.034 0.3 . 1 . . . . . 66 ALA CB . 52197 1
319 . 1 . 1 66 66 ALA N N 15 118.878 0.3 . 1 . . . . . 66 ALA N . 52197 1
320 . 1 . 1 67 67 SER C C 13 176.49 0.3 . 1 . . . . . 67 SER C . 52197 1
321 . 1 . 1 67 67 SER CA C 13 65.446 0.3 . 1 . . . . . 67 SER CA . 52197 1
322 . 1 . 1 67 67 SER CB C 13 68.404 0.3 . 1 . . . . . 67 SER CB . 52197 1
323 . 1 . 1 67 67 SER N N 15 118.736 0.3 . 1 . . . . . 67 SER N . 52197 1
324 . 1 . 1 68 68 ASN C C 13 176.976 0.3 . 1 . . . . . 68 ASN C . 52197 1
325 . 1 . 1 68 68 ASN CA C 13 60.009 0.3 . 1 . . . . . 68 ASN CA . 52197 1
326 . 1 . 1 68 68 ASN CB C 13 37.878 0.3 . 1 . . . . . 68 ASN CB . 52197 1
327 . 1 . 1 68 68 ASN CG C 13 178.294 0.3 . 1 . . . . . 68 ASN CG . 52197 1
328 . 1 . 1 68 68 ASN N N 15 118.733 0.3 . 1 . . . . . 68 ASN N . 52197 1
329 . 1 . 1 68 68 ASN ND2 N 15 119.38 0.3 . 1 . . . . . 68 ASN ND2 . 52197 1
330 . 1 . 1 69 69 ALA C C 13 178.816 0.3 . 1 . . . . . 69 ALA C . 52197 1
331 . 1 . 1 69 69 ALA CA C 13 55.573 0.3 . 1 . . . . . 69 ALA CA . 52197 1
332 . 1 . 1 69 69 ALA CB C 13 18.974 0.3 . 1 . . . . . 69 ALA CB . 52197 1
333 . 1 . 1 69 69 ALA N N 15 118.768 0.3 . 1 . . . . . 69 ALA N . 52197 1
334 . 1 . 1 70 70 VAL C C 13 180.028 0.3 . 1 . . . . . 70 VAL C . 52197 1
335 . 1 . 1 70 70 VAL CA C 13 66.746 0.3 . 1 . . . . . 70 VAL CA . 52197 1
336 . 1 . 1 70 70 VAL CB C 13 31.602 0.3 . 1 . . . . . 70 VAL CB . 52197 1
337 . 1 . 1 70 70 VAL N N 15 115.465 0.3 . 1 . . . . . 70 VAL N . 52197 1
338 . 1 . 1 71 71 THR C C 13 175.903 0.3 . 1 . . . . . 71 THR C . 52197 1
339 . 1 . 1 71 71 THR CA C 13 65.382 0.3 . 1 . . . . . 71 THR CA . 52197 1
340 . 1 . 1 71 71 THR CB C 13 68.671 0.3 . 1 . . . . . 71 THR CB . 52197 1
341 . 1 . 1 71 71 THR N N 15 116.457 0.3 . 1 . . . . . 71 THR N . 52197 1
342 . 1 . 1 72 72 MET C C 13 177.752 0.3 . 1 . . . . . 72 MET C . 52197 1
343 . 1 . 1 72 72 MET CA C 13 64.485 0.3 . 1 . . . . . 72 MET CA . 52197 1
344 . 1 . 1 72 72 MET CB C 13 31.589 0.3 . 1 . . . . . 72 MET CB . 52197 1
345 . 1 . 1 72 72 MET N N 15 113.547 0.3 . 1 . . . . . 72 MET N . 52197 1
346 . 1 . 1 73 73 LEU C C 13 179.573 0.3 . 1 . . . . . 73 LEU C . 52197 1
347 . 1 . 1 73 73 LEU CA C 13 58.134 0.3 . 1 . . . . . 73 LEU CA . 52197 1
348 . 1 . 1 73 73 LEU CB C 13 42.476 0.3 . 1 . . . . . 73 LEU CB . 52197 1
349 . 1 . 1 73 73 LEU N N 15 122.038 0.3 . 1 . . . . . 73 LEU N . 52197 1
350 . 1 . 1 74 74 LEU C C 13 178.8 0.3 . 1 . . . . . 74 LEU C . 52197 1
351 . 1 . 1 74 74 LEU CA C 13 57.843 0.3 . 1 . . . . . 74 LEU CA . 52197 1
352 . 1 . 1 74 74 LEU CB C 13 41.859 0.3 . 1 . . . . . 74 LEU CB . 52197 1
353 . 1 . 1 74 74 LEU N N 15 117.159 0.3 . 1 . . . . . 74 LEU N . 52197 1
354 . 1 . 1 75 75 ALA C C 13 180.012 0.3 . 1 . . . . . 75 ALA C . 52197 1
355 . 1 . 1 75 75 ALA CA C 13 55.221 0.3 . 1 . . . . . 75 ALA CA . 52197 1
356 . 1 . 1 75 75 ALA CB C 13 17.577 0.3 . 1 . . . . . 75 ALA CB . 52197 1
357 . 1 . 1 75 75 ALA N N 15 121.118 0.3 . 1 . . . . . 75 ALA N . 52197 1
358 . 1 . 1 76 76 GLY C C 13 175.337 0.3 . 1 . . . . . 76 GLY C . 52197 1
359 . 1 . 1 76 76 GLY CA C 13 46.504 0.3 . 1 . . . . . 76 GLY CA . 52197 1
360 . 1 . 1 76 76 GLY N N 15 106.904 0.3 . 1 . . . . . 76 GLY N . 52197 1
361 . 1 . 1 77 77 GLY C C 13 175.154 0.3 . 1 . . . . . 77 GLY C . 52197 1
362 . 1 . 1 77 77 GLY CA C 13 47.861 0.3 . 1 . . . . . 77 GLY CA . 52197 1
363 . 1 . 1 77 77 GLY N N 15 109.262 0.3 . 1 . . . . . 77 GLY N . 52197 1
364 . 1 . 1 78 78 ILE C C 13 176.6 0.3 . 1 . . . . . 78 ILE C . 52197 1
365 . 1 . 1 78 78 ILE CA C 13 66.072 0.3 . 1 . . . . . 78 ILE CA . 52197 1
366 . 1 . 1 78 78 ILE CB C 13 37.475 0.3 . 1 . . . . . 78 ILE CB . 52197 1
367 . 1 . 1 78 78 ILE CG1 C 13 31.040 0.3 . 1 . . . . . 78 ILE CG1 . 52197 1
368 . 1 . 1 78 78 ILE CG2 C 13 16.530 0.3 . 1 . . . . . 78 ILE CG2 . 52197 1
369 . 1 . 1 78 78 ILE CD1 C 13 15.784 0.3 . 1 . . . . . 78 ILE CD1 . 52197 1
370 . 1 . 1 78 78 ILE N N 15 122.264 0.3 . 1 . . . . . 78 ILE N . 52197 1
371 . 1 . 1 79 79 LEU C C 13 178.769 0.3 . 1 . . . . . 79 LEU C . 52197 1
372 . 1 . 1 79 79 LEU CA C 13 58.586 0.3 . 1 . . . . . 79 LEU CA . 52197 1
373 . 1 . 1 79 79 LEU CB C 13 41.226 0.3 . 1 . . . . . 79 LEU CB . 52197 1
374 . 1 . 1 79 79 LEU N N 15 120.45 0.3 . 1 . . . . . 79 LEU N . 52197 1
375 . 1 . 1 80 80 VAL C C 13 178.12 0.3 . 1 . . . . . 80 VAL C . 52197 1
376 . 1 . 1 80 80 VAL CA C 13 66.045 0.3 . 1 . . . . . 80 VAL CA . 52197 1
377 . 1 . 1 80 80 VAL CB C 13 31.483 0.3 . 1 . . . . . 80 VAL CB . 52197 1
378 . 1 . 1 80 80 VAL N N 15 118.927 0.3 . 1 . . . . . 80 VAL N . 52197 1
379 . 1 . 1 81 81 MET C C 13 179.719 0.3 . 1 . . . . . 81 MET C . 52197 1
380 . 1 . 1 81 81 MET CA C 13 58.1 0.3 . 1 . . . . . 81 MET CA . 52197 1
381 . 1 . 1 81 81 MET CB C 13 31.719 0.3 . 1 . . . . . 81 MET CB . 52197 1
382 . 1 . 1 81 81 MET CG C 13 29.432 0.3 . 1 . . . . . 81 MET CG . 52197 1
383 . 1 . 1 81 81 MET N N 15 122.015 0.3 . 1 . . . . . 81 MET N . 52197 1
384 . 1 . 1 82 82 LYS C C 13 179.726 0.3 . 1 . . . . . 82 LYS C . 52197 1
385 . 1 . 1 82 82 LYS CA C 13 57.979 0.3 . 1 . . . . . 82 LYS CA . 52197 1
386 . 1 . 1 82 82 LYS CB C 13 26.38 0.3 . 1 . . . . . 82 LYS CB . 52197 1
387 . 1 . 1 82 82 LYS N N 15 117.125 0.3 . 1 . . . . . 82 LYS N . 52197 1
388 . 1 . 1 83 83 LEU C C 13 178.004 0.3 . 1 . . . . . 83 LEU C . 52197 1
389 . 1 . 1 83 83 LEU CA C 13 58.595 0.3 . 1 . . . . . 83 LEU CA . 52197 1
390 . 1 . 1 83 83 LEU CB C 13 42.845 0.3 . 1 . . . . . 83 LEU CB . 52197 1
391 . 1 . 1 83 83 LEU N N 15 120.582 0.3 . 1 . . . . . 83 LEU N . 52197 1
392 . 1 . 1 84 84 ARG C C 13 178.78 0.3 . 1 . . . . . 84 ARG C . 52197 1
393 . 1 . 1 84 84 ARG CA C 13 57.311 0.3 . 1 . . . . . 84 ARG CA . 52197 1
394 . 1 . 1 84 84 ARG CB C 13 31.237 0.3 . 1 . . . . . 84 ARG CB . 52197 1
395 . 1 . 1 84 84 ARG N N 15 117.054 0.3 . 1 . . . . . 84 ARG N . 52197 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_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 52197
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'Chemical shifts observed in the occluded conformation of Bj-SemiSWEET'
_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 $chem_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 NCACX . . . 52197 2
2 NCOCX . . . 52197 2
3 CONCA . . . 52197 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
1 $software_1 . . 52197 2
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 PRO C C 13 178.695 0.3 . 1 . . . . . 3 PRO C . 52197 2
2 . 1 . 1 3 3 PRO CA C 13 64.774 0.3 . 1 . . . . . 3 PRO CA . 52197 2
3 . 1 . 1 3 3 PRO CB C 13 32.207 0.3 . 1 . . . . . 3 PRO CB . 52197 2
4 . 1 . 1 3 3 PRO CG C 13 27.387 0.3 . 1 . . . . . 3 PRO CG . 52197 2
5 . 1 . 1 3 3 PRO CD C 13 51.286 0.3 . 1 . . . . . 3 PRO CD . 52197 2
6 . 1 . 1 3 3 PRO N N 15 139.025 0.3 . 1 . . . . . 3 PRO N . 52197 2
7 . 1 . 1 4 4 PHE C C 13 180.023 0.3 . 1 . . . . . 4 PHE C . 52197 2
8 . 1 . 1 4 4 PHE CA C 13 60.565 0.3 . 1 . . . . . 4 PHE CA . 52197 2
9 . 1 . 1 4 4 PHE CB C 13 38.164 0.3 . 1 . . . . . 4 PHE CB . 52197 2
10 . 1 . 1 4 4 PHE N N 15 119.835 0.3 . 1 . . . . . 4 PHE N . 52197 2
11 . 1 . 1 5 5 LEU C C 13 178.28 0.3 . 1 . . . . . 5 LEU C . 52197 2
12 . 1 . 1 5 5 LEU CA C 13 57.094 0.3 . 1 . . . . . 5 LEU CA . 52197 2
13 . 1 . 1 5 5 LEU CB C 13 42.253 0.3 . 1 . . . . . 5 LEU CB . 52197 2
14 . 1 . 1 5 5 LEU N N 15 118.178 0.3 . 1 . . . . . 5 LEU N . 52197 2
15 . 1 . 1 6 6 ILE C C 13 177.636 0.3 . 1 . . . . . 6 ILE C . 52197 2
16 . 1 . 1 6 6 ILE CA C 13 66.211 0.3 . 1 . . . . . 6 ILE CA . 52197 2
17 . 1 . 1 6 6 ILE CB C 13 38.145 0.3 . 1 . . . . . 6 ILE CB . 52197 2
18 . 1 . 1 6 6 ILE CG1 C 13 29.318 0.3 . 1 . . . . . 6 ILE CG1 . 52197 2
19 . 1 . 1 6 6 ILE N N 15 116.771 0.3 . 1 . . . . . 6 ILE N . 52197 2
20 . 1 . 1 7 7 LYS C C 13 177.651 0.3 . 1 . . . . . 7 LYS C . 52197 2
21 . 1 . 1 7 7 LYS CA C 13 58.44 0.3 . 1 . . . . . 7 LYS CA . 52197 2
22 . 1 . 1 7 7 LYS CB C 13 31.595 0.3 . 1 . . . . . 7 LYS CB . 52197 2
23 . 1 . 1 7 7 LYS N N 15 119.976 0.3 . 1 . . . . . 7 LYS N . 52197 2
24 . 1 . 1 8 8 LEU C C 13 178.711 0.3 . 1 . . . . . 8 LEU C . 52197 2
25 . 1 . 1 8 8 LEU CA C 13 58.412 0.3 . 1 . . . . . 8 LEU CA . 52197 2
26 . 1 . 1 8 8 LEU CB C 13 41.374 0.3 . 1 . . . . . 8 LEU CB . 52197 2
27 . 1 . 1 8 8 LEU CG C 13 27.759 0.3 . 1 . . . . . 8 LEU CG . 52197 2
28 . 1 . 1 8 8 LEU N N 15 121.407 0.3 . 1 . . . . . 8 LEU N . 52197 2
29 . 1 . 1 9 9 ILE C C 13 177.411 0.3 . 1 . . . . . 9 ILE C . 52197 2
30 . 1 . 1 9 9 ILE CA C 13 66.154 0.3 . 1 . . . . . 9 ILE CA . 52197 2
31 . 1 . 1 9 9 ILE CB C 13 37.624 0.3 . 1 . . . . . 9 ILE CB . 52197 2
32 . 1 . 1 9 9 ILE CG1 C 13 27.429 0.3 . 1 . . . . . 9 ILE CG1 . 52197 2
33 . 1 . 1 9 9 ILE CG2 C 13 18.186 0.3 . 1 . . . . . 9 ILE CG2 . 52197 2
34 . 1 . 1 9 9 ILE CD1 C 13 14.38 0.3 . 1 . . . . . 9 ILE CD1 . 52197 2
35 . 1 . 1 9 9 ILE N N 15 119.508 0.3 . 1 . . . . . 9 ILE N . 52197 2
36 . 1 . 1 10 10 GLY C C 13 175.251 0.3 . 1 . . . . . 10 GLY C . 52197 2
37 . 1 . 1 10 10 GLY CA C 13 46.476 0.3 . 1 . . . . . 10 GLY CA . 52197 2
38 . 1 . 1 10 10 GLY N N 15 106.723 0.3 . 1 . . . . . 10 GLY N . 52197 2
39 . 1 . 1 11 11 PHE C C 13 179.008 0.3 . 1 . . . . . 11 PHE C . 52197 2
40 . 1 . 1 11 11 PHE CA C 13 57.986 0.3 . 1 . . . . . 11 PHE CA . 52197 2
41 . 1 . 1 11 11 PHE CB C 13 39.106 0.3 . 1 . . . . . 11 PHE CB . 52197 2
42 . 1 . 1 11 11 PHE N N 15 122.172 0.3 . 1 . . . . . 11 PHE N . 52197 2
43 . 1 . 1 12 12 ALA C C 13 179.746 0.3 . 1 . . . . . 12 ALA C . 52197 2
44 . 1 . 1 12 12 ALA CA C 13 55.416 0.3 . 1 . . . . . 12 ALA CA . 52197 2
45 . 1 . 1 12 12 ALA CB C 13 18.294 0.3 . 1 . . . . . 12 ALA CB . 52197 2
46 . 1 . 1 12 12 ALA N N 15 121.22 0.3 . 1 . . . . . 12 ALA N . 52197 2
47 . 1 . 1 13 13 ALA C C 13 178.813 0.3 . 1 . . . . . 13 ALA C . 52197 2
48 . 1 . 1 13 13 ALA CA C 13 55.252 0.3 . 1 . . . . . 13 ALA CA . 52197 2
49 . 1 . 1 13 13 ALA CB C 13 18.5 0.3 . 1 . . . . . 13 ALA CB . 52197 2
50 . 1 . 1 13 13 ALA N N 15 125.224 0.3 . 1 . . . . . 13 ALA N . 52197 2
51 . 1 . 1 14 14 ALA C C 13 178.353 0.3 . 1 . . . . . 14 ALA C . 52197 2
52 . 1 . 1 14 14 ALA CA C 13 55.408 0.3 . 1 . . . . . 14 ALA CA . 52197 2
53 . 1 . 1 14 14 ALA CB C 13 18.297 0.3 . 1 . . . . . 14 ALA CB . 52197 2
54 . 1 . 1 14 14 ALA N N 15 127.257 0.3 . 1 . . . . . 14 ALA N . 52197 2
55 . 1 . 1 15 15 THR C C 13 178.846 0.3 . 1 . . . . . 15 THR C . 52197 2
56 . 1 . 1 15 15 THR CA C 13 68.04 0.3 . 1 . . . . . 15 THR CA . 52197 2
57 . 1 . 1 15 15 THR CB C 13 65.424 0.3 . 1 . . . . . 15 THR CB . 52197 2
58 . 1 . 1 15 15 THR CG2 C 13 18.66 0.3 . 1 . . . . . 15 THR CG2 . 52197 2
59 . 1 . 1 15 15 THR N N 15 115.952 0.3 . 1 . . . . . 15 THR N . 52197 2
60 . 1 . 1 16 16 CYS C C 13 178.989 0.3 . 1 . . . . . 16 CYS C . 52197 2
61 . 1 . 1 16 16 CYS CA C 13 59.131 0.3 . 1 . . . . . 16 CYS CA . 52197 2
62 . 1 . 1 16 16 CYS CB C 13 32.993 0.3 . 1 . . . . . 16 CYS CB . 52197 2
63 . 1 . 1 16 16 CYS N N 15 115.358 0.3 . 1 . . . . . 16 CYS N . 52197 2
64 . 1 . 1 17 17 THR C C 13 175.627 0.3 . 1 . . . . . 17 THR C . 52197 2
65 . 1 . 1 17 17 THR CA C 13 62.326 0.3 . 1 . . . . . 17 THR CA . 52197 2
66 . 1 . 1 17 17 THR CB C 13 71.017 0.3 . 1 . . . . . 17 THR CB . 52197 2
67 . 1 . 1 17 17 THR CG2 C 13 22.389 0.3 . 1 . . . . . 17 THR CG2 . 52197 2
68 . 1 . 1 17 17 THR N N 15 105.992 0.3 . 1 . . . . . 17 THR N . 52197 2
69 . 1 . 1 18 18 THR C C 13 176.621 0.3 . 1 . . . . . 18 THR C . 52197 2
70 . 1 . 1 18 18 THR CA C 13 65.295 0.3 . 1 . . . . . 18 THR CA . 52197 2
71 . 1 . 1 18 18 THR CB C 13 68.12 0.3 . 1 . . . . . 18 THR CB . 52197 2
72 . 1 . 1 18 18 THR CG2 C 13 22.88 0.3 . 1 . . . . . 18 THR CG2 . 52197 2
73 . 1 . 1 18 18 THR N N 15 106.601 0.3 . 1 . . . . . 18 THR N . 52197 2
74 . 1 . 1 19 19 VAL C C 13 176.995 0.3 . 1 . . . . . 19 VAL C . 52197 2
75 . 1 . 1 19 19 VAL CA C 13 65.523 0.3 . 1 . . . . . 19 VAL CA . 52197 2
76 . 1 . 1 19 19 VAL CB C 13 29.67 0.3 . 1 . . . . . 19 VAL CB . 52197 2
77 . 1 . 1 19 19 VAL CG1 C 13 22.775 0.3 . 2 . . . . . 19 VAL CG1 . 52197 2
78 . 1 . 1 19 19 VAL CG2 C 13 21.552 0.3 . 2 . . . . . 19 VAL CG2 . 52197 2
79 . 1 . 1 19 19 VAL N N 15 118.601 0.3 . 1 . . . . . 19 VAL N . 52197 2
80 . 1 . 1 20 20 ALA C C 13 179.01 0.3 . 1 . . . . . 20 ALA C . 52197 2
81 . 1 . 1 20 20 ALA CA C 13 55.567 0.3 . 1 . . . . . 20 ALA CA . 52197 2
82 . 1 . 1 20 20 ALA CB C 13 19.119 0.3 . 1 . . . . . 20 ALA CB . 52197 2
83 . 1 . 1 20 20 ALA N N 15 118.649 0.3 . 1 . . . . . 20 ALA N . 52197 2
84 . 1 . 1 21 21 TYR C C 13 178.531 0.3 . 1 . . . . . 21 TYR C . 52197 2
85 . 1 . 1 21 21 TYR CA C 13 61.32 0.3 . 1 . . . . . 21 TYR CA . 52197 2
86 . 1 . 1 21 21 TYR CB C 13 41.263 0.3 . 1 . . . . . 21 TYR CB . 52197 2
87 . 1 . 1 21 21 TYR N N 15 109.606 0.3 . 1 . . . . . 21 TYR N . 52197 2
88 . 1 . 1 22 22 ALA C C 13 176.376 0.3 . 1 . . . . . 22 ALA C . 52197 2
89 . 1 . 1 22 22 ALA CA C 13 55.566 0.3 . 1 . . . . . 22 ALA CA . 52197 2
90 . 1 . 1 22 22 ALA CB C 13 15.711 0.3 . 1 . . . . . 22 ALA CB . 52197 2
91 . 1 . 1 22 22 ALA N N 15 122.682 0.3 . 1 . . . . . 22 ALA N . 52197 2
92 . 1 . 1 23 23 PRO C C 13 178.535 0.3 . 1 . . . . . 23 PRO C . 52197 2
93 . 1 . 1 23 23 PRO CA C 13 65.395 0.3 . 1 . . . . . 23 PRO CA . 52197 2
94 . 1 . 1 23 23 PRO CB C 13 31.32 0.3 . 1 . . . . . 23 PRO CB . 52197 2
95 . 1 . 1 23 23 PRO CG C 13 28.179 0.3 . 1 . . . . . 23 PRO CG . 52197 2
96 . 1 . 1 23 23 PRO CD C 13 49.514 0.3 . 1 . . . . . 23 PRO CD . 52197 2
97 . 1 . 1 23 23 PRO N N 15 132.557 0.3 . 1 . . . . . 23 PRO N . 52197 2
98 . 1 . 1 24 24 GLN C C 13 177.288 0.3 . 1 . . . . . 24 GLN C . 52197 2
99 . 1 . 1 24 24 GLN CA C 13 57.845 0.3 . 1 . . . . . 24 GLN CA . 52197 2
100 . 1 . 1 24 24 GLN CB C 13 31.469 0.3 . 1 . . . . . 24 GLN CB . 52197 2
101 . 1 . 1 24 24 GLN CG C 13 34.175 0.3 . 1 . . . . . 24 GLN CG . 52197 2
102 . 1 . 1 24 24 GLN CD C 13 178.65 0.3 . 1 . . . . . 24 GLN CD . 52197 2
103 . 1 . 1 24 24 GLN N N 15 115.299 0.3 . 1 . . . . . 24 GLN N . 52197 2
104 . 1 . 1 25 25 PHE C C 13 176.422 0.3 . 1 . . . . . 25 PHE C . 52197 2
105 . 1 . 1 25 25 PHE CA C 13 60.576 0.3 . 1 . . . . . 25 PHE CA . 52197 2
106 . 1 . 1 25 25 PHE CB C 13 39.697 0.3 . 1 . . . . . 25 PHE CB . 52197 2
107 . 1 . 1 25 25 PHE N N 15 122.919 0.3 . 1 . . . . . 25 PHE N . 52197 2
108 . 1 . 1 26 26 ILE C C 13 178.035 0.3 . 1 . . . . . 26 ILE C . 52197 2
109 . 1 . 1 26 26 ILE CA C 13 65.193 0.3 . 1 . . . . . 26 ILE CA . 52197 2
110 . 1 . 1 26 26 ILE CB C 13 38.285 0.3 . 1 . . . . . 26 ILE CB . 52197 2
111 . 1 . 1 26 26 ILE CG1 C 13 31.622 0.3 . 1 . . . . . 26 ILE CG1 . 52197 2
112 . 1 . 1 26 26 ILE CG2 C 13 17.748 0.3 . 1 . . . . . 26 ILE CG2 . 52197 2
113 . 1 . 1 26 26 ILE CD1 C 13 13.469 0.3 . 1 . . . . . 26 ILE CD1 . 52197 2
114 . 1 . 1 26 26 ILE N N 15 116.972 0.3 . 1 . . . . . 26 ILE N . 52197 2
115 . 1 . 1 27 27 LYS C C 13 178.035 0.3 . 1 . . . . . 27 LYS C . 52197 2
116 . 1 . 1 27 27 LYS CA C 13 58.049 0.3 . 1 . . . . . 27 LYS CA . 52197 2
117 . 1 . 1 27 27 LYS CB C 13 31.296 0.3 . 1 . . . . . 27 LYS CB . 52197 2
118 . 1 . 1 27 27 LYS CE C 13 41.414 0.3 . 1 . . . . . 27 LYS CE . 52197 2
119 . 1 . 1 27 27 LYS N N 15 118.268 0.3 . 1 . . . . . 27 LYS N . 52197 2
120 . 1 . 1 27 27 LYS NZ N 15 32.977 0.3 . 1 . . . . . 27 LYS NZ . 52197 2
121 . 1 . 1 28 28 VAL C C 13 178.078 0.3 . 1 . . . . . 28 VAL C . 52197 2
122 . 1 . 1 28 28 VAL CA C 13 67.057 0.3 . 1 . . . . . 28 VAL CA . 52197 2
123 . 1 . 1 28 28 VAL CB C 13 31.331 0.3 . 1 . . . . . 28 VAL CB . 52197 2
124 . 1 . 1 28 28 VAL CG1 C 13 22.963 0.3 . 2 . . . . . 28 VAL CG1 . 52197 2
125 . 1 . 1 28 28 VAL CG2 C 13 21.535 0.3 . 2 . . . . . 28 VAL CG2 . 52197 2
126 . 1 . 1 28 28 VAL N N 15 117.049 0.3 . 1 . . . . . 28 VAL N . 52197 2
127 . 1 . 1 29 29 LEU C C 13 175.296 0.3 . 1 . . . . . 29 LEU C . 52197 2
128 . 1 . 1 29 29 LEU CA C 13 58.015 0.3 . 1 . . . . . 29 LEU CA . 52197 2
129 . 1 . 1 29 29 LEU CB C 13 42.127 0.3 . 1 . . . . . 29 LEU CB . 52197 2
130 . 1 . 1 29 29 LEU CG C 13 26.824 0.3 . 1 . . . . . 29 LEU CG . 52197 2
131 . 1 . 1 29 29 LEU CD1 C 13 24.32 0.3 . 2 . . . . . 29 LEU CD1 . 52197 2
132 . 1 . 1 29 29 LEU N N 15 122.196 0.3 . 1 . . . . . 29 LEU N . 52197 2
133 . 1 . 1 30 30 LYS C C 13 178.791 0.3 . 1 . . . . . 30 LYS C . 52197 2
134 . 1 . 1 30 30 LYS CA C 13 57.945 0.3 . 1 . . . . . 30 LYS CA . 52197 2
135 . 1 . 1 30 30 LYS CB C 13 27.119 0.3 . 1 . . . . . 30 LYS CB . 52197 2
136 . 1 . 1 30 30 LYS CG C 13 24.111 0.3 . 1 . . . . . 30 LYS CG . 52197 2
137 . 1 . 1 30 30 LYS CD C 13 26.279 0.3 . 1 . . . . . 30 LYS CD . 52197 2
138 . 1 . 1 30 30 LYS CE C 13 41.912 0.3 . 1 . . . . . 30 LYS CE . 52197 2
139 . 1 . 1 30 30 LYS N N 15 132.833 0.3 . 1 . . . . . 30 LYS N . 52197 2
140 . 1 . 1 30 30 LYS NZ N 15 33.042 0.3 . 1 . . . . . 30 LYS NZ . 52197 2
141 . 1 . 1 31 31 THR C C 13 175.603 0.3 . 1 . . . . . 31 THR C . 52197 2
142 . 1 . 1 31 31 THR CA C 13 62.054 0.3 . 1 . . . . . 31 THR CA . 52197 2
143 . 1 . 1 31 31 THR CB C 13 70.461 0.3 . 1 . . . . . 31 THR CB . 52197 2
144 . 1 . 1 31 31 THR CG2 C 13 21.742 0.3 . 1 . . . . . 31 THR CG2 . 52197 2
145 . 1 . 1 31 31 THR N N 15 106.148 0.3 . 1 . . . . . 31 THR N . 52197 2
146 . 1 . 1 32 32 ARG C C 13 174.504 0.3 . 1 . . . . . 32 ARG C . 52197 2
147 . 1 . 1 32 32 ARG CA C 13 55.956 0.3 . 1 . . . . . 32 ARG CA . 52197 2
148 . 1 . 1 32 32 ARG CB C 13 27.221 0.3 . 1 . . . . . 32 ARG CB . 52197 2
149 . 1 . 1 32 32 ARG N N 15 120.06 0.3 . 1 . . . . . 32 ARG N . 52197 2
150 . 1 . 1 33 33 SER C C 13 173.241 0.3 . 1 . . . . . 33 SER C . 52197 2
151 . 1 . 1 33 33 SER CA C 13 56.869 0.3 . 1 . . . . . 33 SER CA . 52197 2
152 . 1 . 1 33 33 SER CB C 13 63.335 0.3 . 1 . . . . . 33 SER CB . 52197 2
153 . 1 . 1 33 33 SER N N 15 109.653 0.3 . 1 . . . . . 33 SER N . 52197 2
154 . 1 . 1 34 34 ALA C C 13 175.993 0.3 . 1 . . . . . 34 ALA C . 52197 2
155 . 1 . 1 34 34 ALA CA C 13 50.06 0.3 . 1 . . . . . 34 ALA CA . 52197 2
156 . 1 . 1 34 34 ALA CB C 13 20.321 0.3 . 1 . . . . . 34 ALA CB . 52197 2
157 . 1 . 1 34 34 ALA N N 15 126.493 0.3 . 1 . . . . . 34 ALA N . 52197 2
158 . 1 . 1 35 35 ARG C C 13 178.578 0.3 . 1 . . . . . 35 ARG C . 52197 2
159 . 1 . 1 35 35 ARG CA C 13 60.094 0.3 . 1 . . . . . 35 ARG CA . 52197 2
160 . 1 . 1 35 35 ARG CB C 13 29.93 0.3 . 1 . . . . . 35 ARG CB . 52197 2
161 . 1 . 1 35 35 ARG CG C 13 25.992 0.3 . 1 . . . . . 35 ARG CG . 52197 2
162 . 1 . 1 35 35 ARG CD C 13 42.063 0.3 . 1 . . . . . 35 ARG CD . 52197 2
163 . 1 . 1 35 35 ARG N N 15 126.395 0.3 . 1 . . . . . 35 ARG N . 52197 2
164 . 1 . 1 36 36 ASP C C 13 176.52 0.3 . 1 . . . . . 36 ASP C . 52197 2
165 . 1 . 1 36 36 ASP CA C 13 55.544 0.3 . 1 . . . . . 36 ASP CA . 52197 2
166 . 1 . 1 36 36 ASP CB C 13 42.017 0.3 . 1 . . . . . 36 ASP CB . 52197 2
167 . 1 . 1 36 36 ASP CG C 13 178.28 0.3 . 1 . . . . . 36 ASP CG . 52197 2
168 . 1 . 1 36 36 ASP N N 15 111.803 0.3 . 1 . . . . . 36 ASP N . 52197 2
169 . 1 . 1 37 37 ILE C C 13 175.954 0.3 . 1 . . . . . 37 ILE C . 52197 2
170 . 1 . 1 37 37 ILE CA C 13 59.487 0.3 . 1 . . . . . 37 ILE CA . 52197 2
171 . 1 . 1 37 37 ILE CB C 13 37.784 0.3 . 1 . . . . . 37 ILE CB . 52197 2
172 . 1 . 1 37 37 ILE CG1 C 13 28.237 0.3 . 1 . . . . . 37 ILE CG1 . 52197 2
173 . 1 . 1 37 37 ILE CG2 C 13 17.581 0.3 . 1 . . . . . 37 ILE CG2 . 52197 2
174 . 1 . 1 37 37 ILE N N 15 118.184 0.3 . 1 . . . . . 37 ILE N . 52197 2
175 . 1 . 1 38 38 SER C C 13 175.096 0.3 . 1 . . . . . 38 SER C . 52197 2
176 . 1 . 1 38 38 SER CA C 13 56.202 0.3 . 1 . . . . . 38 SER CA . 52197 2
177 . 1 . 1 38 38 SER CB C 13 62.343 0.3 . 1 . . . . . 38 SER CB . 52197 2
178 . 1 . 1 38 38 SER N N 15 120.296 0.3 . 1 . . . . . 38 SER N . 52197 2
179 . 1 . 1 39 39 LEU C C 13 178.507 0.3 . 1 . . . . . 39 LEU C . 52197 2
180 . 1 . 1 39 39 LEU CA C 13 58.127 0.3 . 1 . . . . . 39 LEU CA . 52197 2
181 . 1 . 1 39 39 LEU CB C 13 42.037 0.3 . 1 . . . . . 39 LEU CB . 52197 2
182 . 1 . 1 39 39 LEU CG C 13 27.116 0.3 . 1 . . . . . 39 LEU CG . 52197 2
183 . 1 . 1 39 39 LEU CD1 C 13 24.239 0.3 . 2 . . . . . 39 LEU CD1 . 52197 2
184 . 1 . 1 39 39 LEU CD2 C 13 23.177 0.3 . 2 . . . . . 39 LEU CD2 . 52197 2
185 . 1 . 1 39 39 LEU N N 15 132.65 0.3 . 1 . . . . . 39 LEU N . 52197 2
186 . 1 . 1 40 40 GLY C C 13 174.441 0.3 . 1 . . . . . 40 GLY C . 52197 2
187 . 1 . 1 40 40 GLY CA C 13 47.693 0.3 . 1 . . . . . 40 GLY CA . 52197 2
188 . 1 . 1 40 40 GLY N N 15 105.972 0.3 . 1 . . . . . 40 GLY N . 52197 2
189 . 1 . 1 41 41 MET C C 13 177.504 0.3 . 1 . . . . . 41 MET C . 52197 2
190 . 1 . 1 41 41 MET CA C 13 58.529 0.3 . 1 . . . . . 41 MET CA . 52197 2
191 . 1 . 1 41 41 MET CB C 13 33.521 0.3 . 1 . . . . . 41 MET CB . 52197 2
192 . 1 . 1 41 41 MET CG C 13 31.909 0.3 . 1 . . . . . 41 MET CG . 52197 2
193 . 1 . 1 41 41 MET N N 15 118.545 0.3 . 1 . . . . . 41 MET N . 52197 2
194 . 1 . 1 42 42 PHE C C 13 177.391 0.3 . 1 . . . . . 42 PHE C . 52197 2
195 . 1 . 1 42 42 PHE CA C 13 64.044 0.3 . 1 . . . . . 42 PHE CA . 52197 2
196 . 1 . 1 42 42 PHE CB C 13 39.498 0.3 . 1 . . . . . 42 PHE CB . 52197 2
197 . 1 . 1 42 42 PHE N N 15 114.877 0.3 . 1 . . . . . 42 PHE N . 52197 2
198 . 1 . 1 43 43 LEU C C 13 178.507 0.3 . 1 . . . . . 43 LEU C . 52197 2
199 . 1 . 1 43 43 LEU CA C 13 58.225 0.3 . 1 . . . . . 43 LEU CA . 52197 2
200 . 1 . 1 43 43 LEU CB C 13 41.633 0.3 . 1 . . . . . 43 LEU CB . 52197 2
201 . 1 . 1 43 43 LEU CG C 13 26.706 0.3 . 1 . . . . . 43 LEU CG . 52197 2
202 . 1 . 1 43 43 LEU N N 15 119.599 0.3 . 1 . . . . . 43 LEU N . 52197 2
203 . 1 . 1 44 44 VAL C C 13 177.394 0.3 . 1 . . . . . 44 VAL C . 52197 2
204 . 1 . 1 44 44 VAL CA C 13 66.036 0.3 . 1 . . . . . 44 VAL CA . 52197 2
205 . 1 . 1 44 44 VAL CB C 13 29.667 0.3 . 1 . . . . . 44 VAL CB . 52197 2
206 . 1 . 1 44 44 VAL CG1 C 13 23.312 0.3 . 2 . . . . . 44 VAL CG1 . 52197 2
207 . 1 . 1 44 44 VAL CG2 C 13 21.823 0.3 . 2 . . . . . 44 VAL CG2 . 52197 2
208 . 1 . 1 44 44 VAL N N 15 119.984 0.3 . 1 . . . . . 44 VAL N . 52197 2
209 . 1 . 1 45 45 MET C C 13 178.51 0.3 . 1 . . . . . 45 MET C . 52197 2
210 . 1 . 1 45 45 MET CA C 13 58.178 0.3 . 1 . . . . . 45 MET CA . 52197 2
211 . 1 . 1 45 45 MET CB C 13 31.612 0.3 . 1 . . . . . 45 MET CB . 52197 2
212 . 1 . 1 45 45 MET CG C 13 29.457 0.3 . 1 . . . . . 45 MET CG . 52197 2
213 . 1 . 1 45 45 MET N N 15 121.088 0.3 . 1 . . . . . 45 MET N . 52197 2
214 . 1 . 1 46 46 VAL C C 13 177.331 0.3 . 1 . . . . . 46 VAL C . 52197 2
215 . 1 . 1 46 46 VAL CA C 13 66.031 0.3 . 1 . . . . . 46 VAL CA . 52197 2
216 . 1 . 1 46 46 VAL CB C 13 31.367 0.3 . 1 . . . . . 46 VAL CB . 52197 2
217 . 1 . 1 46 46 VAL CG1 C 13 23.209 0.3 . 2 . . . . . 46 VAL CG1 . 52197 2
218 . 1 . 1 46 46 VAL CG2 C 13 21.806 0.3 . 2 . . . . . 46 VAL CG2 . 52197 2
219 . 1 . 1 46 46 VAL N N 15 118.899 0.3 . 1 . . . . . 46 VAL N . 52197 2
220 . 1 . 1 47 47 LEU C C 13 178.007 0.3 . 1 . . . . . 47 LEU C . 52197 2
221 . 1 . 1 47 47 LEU CA C 13 58.3 0.3 . 1 . . . . . 47 LEU CA . 52197 2
222 . 1 . 1 47 47 LEU CB C 13 41.251 0.3 . 1 . . . . . 47 LEU CB . 52197 2
223 . 1 . 1 47 47 LEU CG C 13 27.093 0.3 . 1 . . . . . 47 LEU CG . 52197 2
224 . 1 . 1 47 47 LEU CD1 C 13 24.072 0.3 . 2 . . . . . 47 LEU CD1 . 52197 2
225 . 1 . 1 47 47 LEU CD2 C 13 23.102 0.3 . 2 . . . . . 47 LEU CD2 . 52197 2
226 . 1 . 1 47 47 LEU N N 15 120.372 0.3 . 1 . . . . . 47 LEU N . 52197 2
227 . 1 . 1 48 48 GLY C C 13 174.696 0.3 . 1 . . . . . 48 GLY C . 52197 2
228 . 1 . 1 48 48 GLY CA C 13 48.648 0.3 . 1 . . . . . 48 GLY CA . 52197 2
229 . 1 . 1 48 48 GLY N N 15 105.305 0.3 . 1 . . . . . 48 GLY N . 52197 2
230 . 1 . 1 49 49 LEU C C 13 178.809 0.3 . 1 . . . . . 49 LEU C . 52197 2
231 . 1 . 1 49 49 LEU CA C 13 57.749 0.3 . 1 . . . . . 49 LEU CA . 52197 2
232 . 1 . 1 49 49 LEU CB C 13 41.983 0.3 . 1 . . . . . 49 LEU CB . 52197 2
233 . 1 . 1 49 49 LEU CG C 13 26.447 0.3 . 1 . . . . . 49 LEU CG . 52197 2
234 . 1 . 1 49 49 LEU CD1 C 13 22.913 0.3 . 2 . . . . . 49 LEU CD1 . 52197 2
235 . 1 . 1 49 49 LEU N N 15 121.117 0.3 . 1 . . . . . 49 LEU N . 52197 2
236 . 1 . 1 50 50 ALA C C 13 177.476 0.3 . 1 . . . . . 50 ALA C . 52197 2
237 . 1 . 1 50 50 ALA CA C 13 55.307 0.3 . 1 . . . . . 50 ALA CA . 52197 2
238 . 1 . 1 50 50 ALA CB C 13 18.273 0.3 . 1 . . . . . 50 ALA CB . 52197 2
239 . 1 . 1 50 50 ALA N N 15 121.21 0.3 . 1 . . . . . 50 ALA N . 52197 2
240 . 1 . 1 51 51 LEU C C 13 179.17 0.3 . 1 . . . . . 51 LEU C . 52197 2
241 . 1 . 1 51 51 LEU CA C 13 58.037 0.3 . 1 . . . . . 51 LEU CA . 52197 2
242 . 1 . 1 51 51 LEU CB C 13 42.019 0.3 . 1 . . . . . 51 LEU CB . 52197 2
243 . 1 . 1 51 51 LEU CG C 13 26.483 0.3 . 1 . . . . . 51 LEU CG . 52197 2
244 . 1 . 1 51 51 LEU CD1 C 13 22.966 0.3 . 2 . . . . . 51 LEU CD1 . 52197 2
245 . 1 . 1 51 51 LEU N N 15 121.215 0.3 . 1 . . . . . 51 LEU N . 52197 2
246 . 1 . 1 52 52 TRP C C 13 179.973 0.3 . 1 . . . . . 52 TRP C . 52197 2
247 . 1 . 1 52 52 TRP CA C 13 59.758 0.3 . 1 . . . . . 52 TRP CA . 52197 2
248 . 1 . 1 52 52 TRP CB C 13 29.531 0.3 . 1 . . . . . 52 TRP CB . 52197 2
249 . 1 . 1 52 52 TRP N N 15 121.321 0.3 . 1 . . . . . 52 TRP N . 52197 2
250 . 1 . 1 53 53 LEU C C 13 178.803 0.3 . 1 . . . . . 53 LEU C . 52197 2
251 . 1 . 1 53 53 LEU CA C 13 58.788 0.3 . 1 . . . . . 53 LEU CA . 52197 2
252 . 1 . 1 53 53 LEU CB C 13 41.439 0.3 . 1 . . . . . 53 LEU CB . 52197 2
253 . 1 . 1 53 53 LEU CG C 13 26.328 0.3 . 1 . . . . . 53 LEU CG . 52197 2
254 . 1 . 1 53 53 LEU CD1 C 13 23.990 0.3 . 2 . . . . . 53 LEU CD1 . 52197 2
255 . 1 . 1 53 53 LEU N N 15 120.322 0.3 . 1 . . . . . 53 LEU N . 52197 2
256 . 1 . 1 54 54 ILE C C 13 177.403 0.3 . 1 . . . . . 54 ILE C . 52197 2
257 . 1 . 1 54 54 ILE CA C 13 66.01 0.3 . 1 . . . . . 54 ILE CA . 52197 2
258 . 1 . 1 54 54 ILE CB C 13 37.717 0.3 . 1 . . . . . 54 ILE CB . 52197 2
259 . 1 . 1 54 54 ILE CG1 C 13 31.451 0.3 . 1 . . . . . 54 ILE CG1 . 52197 2
260 . 1 . 1 54 54 ILE CG2 C 13 18.224 0.3 . 1 . . . . . 54 ILE CG2 . 52197 2
261 . 1 . 1 54 54 ILE N N 15 118.946 0.3 . 1 . . . . . 54 ILE N . 52197 2
262 . 1 . 1 55 55 TYR C C 13 179.397 0.3 . 1 . . . . . 55 TYR C . 52197 2
263 . 1 . 1 55 55 TYR CA C 13 62.202 0.3 . 1 . . . . . 55 TYR CA . 52197 2
264 . 1 . 1 55 55 TYR CB C 13 38.773 0.3 . 1 . . . . . 55 TYR CB . 52197 2
265 . 1 . 1 55 55 TYR N N 15 120.566 0.3 . 1 . . . . . 55 TYR N . 52197 2
266 . 1 . 1 56 56 GLY C C 13 175.273 0.3 . 1 . . . . . 56 GLY C . 52197 2
267 . 1 . 1 56 56 GLY CA C 13 47.932 0.3 . 1 . . . . . 56 GLY CA . 52197 2
268 . 1 . 1 56 56 GLY N N 15 109.303 0.3 . 1 . . . . . 56 GLY N . 52197 2
269 . 1 . 1 57 57 LEU C C 13 179.714 0.3 . 1 . . . . . 57 LEU C . 52197 2
270 . 1 . 1 57 57 LEU CA C 13 57.993 0.3 . 1 . . . . . 57 LEU CA . 52197 2
271 . 1 . 1 57 57 LEU CB C 13 42.301 0.3 . 1 . . . . . 57 LEU CB . 52197 2
272 . 1 . 1 57 57 LEU CG C 13 27.215 0.3 . 1 . . . . . 57 LEU CG . 52197 2
273 . 1 . 1 57 57 LEU CD1 C 13 24.32 0.3 . 2 . . . . . 57 LEU CD1 . 52197 2
274 . 1 . 1 57 57 LEU N N 15 123.015 0.3 . 1 . . . . . 57 LEU N . 52197 2
275 . 1 . 1 58 58 LEU C C 13 178.398 0.3 . 1 . . . . . 58 LEU C . 52197 2
276 . 1 . 1 58 58 LEU CA C 13 57.066 0.3 . 1 . . . . . 58 LEU CA . 52197 2
277 . 1 . 1 58 58 LEU CB C 13 42.272 0.3 . 1 . . . . . 58 LEU CB . 52197 2
278 . 1 . 1 58 58 LEU CG C 13 26.846 0.3 . 1 . . . . . 58 LEU CG . 52197 2
279 . 1 . 1 58 58 LEU CD1 C 13 23.62 0.3 . 2 . . . . . 58 LEU CD1 . 52197 2
280 . 1 . 1 58 58 LEU CD2 C 13 22.768 0.3 . 2 . . . . . 58 LEU CD2 . 52197 2
281 . 1 . 1 58 58 LEU N N 15 117.496 0.3 . 1 . . . . . 58 LEU N . 52197 2
282 . 1 . 1 59 59 SER C C 13 174.917 0.3 . 1 . . . . . 59 SER C . 52197 2
283 . 1 . 1 59 59 SER CA C 13 58.46 0.3 . 1 . . . . . 59 SER CA . 52197 2
284 . 1 . 1 59 59 SER CB C 13 63.972 0.3 . 1 . . . . . 59 SER CB . 52197 2
285 . 1 . 1 59 59 SER N N 15 111.106 0.3 . 1 . . . . . 59 SER N . 52197 2
286 . 1 . 1 60 60 GLY C C 13 173.701 0.3 . 1 . . . . . 60 GLY C . 52197 2
287 . 1 . 1 60 60 GLY CA C 13 46.848 0.3 . 1 . . . . . 60 GLY CA . 52197 2
288 . 1 . 1 60 60 GLY N N 15 112.398 0.3 . 1 . . . . . 60 GLY N . 52197 2
289 . 1 . 1 61 61 ASP C C 13 174.005 0.3 . 1 . . . . . 61 ASP C . 52197 2
290 . 1 . 1 61 61 ASP CA C 13 53.424 0.3 . 1 . . . . . 61 ASP CA . 52197 2
291 . 1 . 1 61 61 ASP CB C 13 43.175 0.3 . 1 . . . . . 61 ASP CB . 52197 2
292 . 1 . 1 61 61 ASP CG C 13 179.925 0.3 . 1 . . . . . 61 ASP CG . 52197 2
293 . 1 . 1 61 61 ASP N N 15 121.806 0.3 . 1 . . . . . 61 ASP N . 52197 2
294 . 1 . 1 62 62 ALA C C 13 176.156 0.3 . 1 . . . . . 62 ALA C . 52197 2
295 . 1 . 1 62 62 ALA CA C 13 56.739 0.3 . 1 . . . . . 62 ALA CA . 52197 2
296 . 1 . 1 62 62 ALA CB C 13 17.189 0.3 . 1 . . . . . 62 ALA CB . 52197 2
297 . 1 . 1 62 62 ALA N N 15 127.437 0.3 . 1 . . . . . 62 ALA N . 52197 2
298 . 1 . 1 63 63 PRO C C 13 178.762 0.3 . 1 . . . . . 63 PRO C . 52197 2
299 . 1 . 1 63 63 PRO CA C 13 66.895 0.3 . 1 . . . . . 63 PRO CA . 52197 2
300 . 1 . 1 63 63 PRO CB C 13 30.913 0.3 . 1 . . . . . 63 PRO CB . 52197 2
301 . 1 . 1 63 63 PRO CG C 13 28.938 0.3 . 1 . . . . . 63 PRO CG . 52197 2
302 . 1 . 1 63 63 PRO CD C 13 49.672 0.3 . 1 . . . . . 63 PRO CD . 52197 2
303 . 1 . 1 63 63 PRO N N 15 134.657 0.3 . 1 . . . . . 63 PRO N . 52197 2
304 . 1 . 1 64 64 LEU C C 13 180.999 0.3 . 1 . . . . . 64 LEU C . 52197 2
305 . 1 . 1 64 64 LEU CA C 13 58.189 0.3 . 1 . . . . . 64 LEU CA . 52197 2
306 . 1 . 1 64 64 LEU CB C 13 42.102 0.3 . 1 . . . . . 64 LEU CB . 52197 2
307 . 1 . 1 64 64 LEU CG C 13 27.163 0.3 . 1 . . . . . 64 LEU CG . 52197 2
308 . 1 . 1 64 64 LEU N N 15 118.606 0.3 . 1 . . . . . 64 LEU N . 52197 2
309 . 1 . 1 65 65 ILE C C 13 176.797 0.3 . 1 . . . . . 65 ILE C . 52197 2
310 . 1 . 1 65 65 ILE CA C 13 65.451 0.3 . 1 . . . . . 65 ILE CA . 52197 2
311 . 1 . 1 65 65 ILE CB C 13 38.547 0.3 . 1 . . . . . 65 ILE CB . 52197 2
312 . 1 . 1 65 65 ILE CG1 C 13 29.517 0.3 . 1 . . . . . 65 ILE CG1 . 52197 2
313 . 1 . 1 65 65 ILE CG2 C 13 17.764 0.3 . 1 . . . . . 65 ILE CG2 . 52197 2
314 . 1 . 1 65 65 ILE CD1 C 13 15.091 0.3 . 1 . . . . . 65 ILE CD1 . 52197 2
315 . 1 . 1 65 65 ILE N N 15 121.607 0.3 . 1 . . . . . 65 ILE N . 52197 2
316 . 1 . 1 66 66 ALA C C 13 176.637 0.3 . 1 . . . . . 66 ALA C . 52197 2
317 . 1 . 1 66 66 ALA CA C 13 55.642 0.3 . 1 . . . . . 66 ALA CA . 52197 2
318 . 1 . 1 66 66 ALA CB C 13 19.034 0.3 . 1 . . . . . 66 ALA CB . 52197 2
319 . 1 . 1 66 66 ALA N N 15 118.878 0.3 . 1 . . . . . 66 ALA N . 52197 2
320 . 1 . 1 67 67 SER C C 13 176.49 0.3 . 1 . . . . . 67 SER C . 52197 2
321 . 1 . 1 67 67 SER CA C 13 65.446 0.3 . 1 . . . . . 67 SER CA . 52197 2
322 . 1 . 1 67 67 SER CB C 13 68.404 0.3 . 1 . . . . . 67 SER CB . 52197 2
323 . 1 . 1 67 67 SER N N 15 118.736 0.3 . 1 . . . . . 67 SER N . 52197 2
324 . 1 . 1 68 68 ASN C C 13 176.976 0.3 . 1 . . . . . 68 ASN C . 52197 2
325 . 1 . 1 68 68 ASN CA C 13 60.009 0.3 . 1 . . . . . 68 ASN CA . 52197 2
326 . 1 . 1 68 68 ASN CB C 13 37.878 0.3 . 1 . . . . . 68 ASN CB . 52197 2
327 . 1 . 1 68 68 ASN CG C 13 178.294 0.3 . 1 . . . . . 68 ASN CG . 52197 2
328 . 1 . 1 68 68 ASN N N 15 118.733 0.3 . 1 . . . . . 68 ASN N . 52197 2
329 . 1 . 1 68 68 ASN ND2 N 15 119.38 0.3 . 1 . . . . . 68 ASN ND2 . 52197 2
330 . 1 . 1 69 69 ALA C C 13 178.816 0.3 . 1 . . . . . 69 ALA C . 52197 2
331 . 1 . 1 69 69 ALA CA C 13 55.573 0.3 . 1 . . . . . 69 ALA CA . 52197 2
332 . 1 . 1 69 69 ALA CB C 13 18.974 0.3 . 1 . . . . . 69 ALA CB . 52197 2
333 . 1 . 1 69 69 ALA N N 15 118.768 0.3 . 1 . . . . . 69 ALA N . 52197 2
334 . 1 . 1 70 70 VAL C C 13 180.028 0.3 . 1 . . . . . 70 VAL C . 52197 2
335 . 1 . 1 70 70 VAL CA C 13 66.746 0.3 . 1 . . . . . 70 VAL CA . 52197 2
336 . 1 . 1 70 70 VAL CB C 13 31.602 0.3 . 1 . . . . . 70 VAL CB . 52197 2
337 . 1 . 1 70 70 VAL N N 15 115.465 0.3 . 1 . . . . . 70 VAL N . 52197 2
338 . 1 . 1 71 71 THR C C 13 175.903 0.3 . 1 . . . . . 71 THR C . 52197 2
339 . 1 . 1 71 71 THR CA C 13 65.382 0.3 . 1 . . . . . 71 THR CA . 52197 2
340 . 1 . 1 71 71 THR CB C 13 68.671 0.3 . 1 . . . . . 71 THR CB . 52197 2
341 . 1 . 1 71 71 THR N N 15 116.457 0.3 . 1 . . . . . 71 THR N . 52197 2
342 . 1 . 1 72 72 MET C C 13 177.752 0.3 . 1 . . . . . 72 MET C . 52197 2
343 . 1 . 1 72 72 MET CA C 13 64.485 0.3 . 1 . . . . . 72 MET CA . 52197 2
344 . 1 . 1 72 72 MET CB C 13 31.589 0.3 . 1 . . . . . 72 MET CB . 52197 2
345 . 1 . 1 72 72 MET N N 15 113.547 0.3 . 1 . . . . . 72 MET N . 52197 2
346 . 1 . 1 73 73 LEU C C 13 179.573 0.3 . 1 . . . . . 73 LEU C . 52197 2
347 . 1 . 1 73 73 LEU CA C 13 58.134 0.3 . 1 . . . . . 73 LEU CA . 52197 2
348 . 1 . 1 73 73 LEU CB C 13 42.476 0.3 . 1 . . . . . 73 LEU CB . 52197 2
349 . 1 . 1 73 73 LEU N N 15 122.038 0.3 . 1 . . . . . 73 LEU N . 52197 2
350 . 1 . 1 74 74 LEU C C 13 178.8 0.3 . 1 . . . . . 74 LEU C . 52197 2
351 . 1 . 1 74 74 LEU CA C 13 57.843 0.3 . 1 . . . . . 74 LEU CA . 52197 2
352 . 1 . 1 74 74 LEU CB C 13 41.859 0.3 . 1 . . . . . 74 LEU CB . 52197 2
353 . 1 . 1 74 74 LEU N N 15 117.159 0.3 . 1 . . . . . 74 LEU N . 52197 2
354 . 1 . 1 75 75 ALA C C 13 180.012 0.3 . 1 . . . . . 75 ALA C . 52197 2
355 . 1 . 1 75 75 ALA CA C 13 55.221 0.3 . 1 . . . . . 75 ALA CA . 52197 2
356 . 1 . 1 75 75 ALA CB C 13 17.577 0.3 . 1 . . . . . 75 ALA CB . 52197 2
357 . 1 . 1 75 75 ALA N N 15 121.118 0.3 . 1 . . . . . 75 ALA N . 52197 2
358 . 1 . 1 76 76 GLY C C 13 175.337 0.3 . 1 . . . . . 76 GLY C . 52197 2
359 . 1 . 1 76 76 GLY CA C 13 46.504 0.3 . 1 . . . . . 76 GLY CA . 52197 2
360 . 1 . 1 76 76 GLY N N 15 106.904 0.3 . 1 . . . . . 76 GLY N . 52197 2
361 . 1 . 1 77 77 GLY C C 13 175.154 0.3 . 1 . . . . . 77 GLY C . 52197 2
362 . 1 . 1 77 77 GLY CA C 13 47.861 0.3 . 1 . . . . . 77 GLY CA . 52197 2
363 . 1 . 1 77 77 GLY N N 15 109.262 0.3 . 1 . . . . . 77 GLY N . 52197 2
364 . 1 . 1 78 78 ILE C C 13 176.6 0.3 . 1 . . . . . 78 ILE C . 52197 2
365 . 1 . 1 78 78 ILE CA C 13 66.072 0.3 . 1 . . . . . 78 ILE CA . 52197 2
366 . 1 . 1 78 78 ILE CB C 13 37.475 0.3 . 1 . . . . . 78 ILE CB . 52197 2
367 . 1 . 1 78 78 ILE CG1 C 13 31.040 0.3 . 1 . . . . . 78 ILE CG1 . 52197 2
368 . 1 . 1 78 78 ILE CG2 C 13 16.530 0.3 . 1 . . . . . 78 ILE CG2 . 52197 2
369 . 1 . 1 78 78 ILE CD1 C 13 15.784 0.3 . 1 . . . . . 78 ILE CD1 . 52197 2
370 . 1 . 1 78 78 ILE N N 15 122.264 0.3 . 1 . . . . . 78 ILE N . 52197 2
371 . 1 . 1 79 79 LEU C C 13 178.769 0.3 . 1 . . . . . 79 LEU C . 52197 2
372 . 1 . 1 79 79 LEU CA C 13 58.586 0.3 . 1 . . . . . 79 LEU CA . 52197 2
373 . 1 . 1 79 79 LEU CB C 13 41.226 0.3 . 1 . . . . . 79 LEU CB . 52197 2
374 . 1 . 1 79 79 LEU N N 15 120.45 0.3 . 1 . . . . . 79 LEU N . 52197 2
375 . 1 . 1 80 80 VAL C C 13 178.12 0.3 . 1 . . . . . 80 VAL C . 52197 2
376 . 1 . 1 80 80 VAL CA C 13 66.045 0.3 . 1 . . . . . 80 VAL CA . 52197 2
377 . 1 . 1 80 80 VAL CB C 13 31.483 0.3 . 1 . . . . . 80 VAL CB . 52197 2
378 . 1 . 1 80 80 VAL N N 15 118.927 0.3 . 1 . . . . . 80 VAL N . 52197 2
379 . 1 . 1 81 81 MET C C 13 179.719 0.3 . 1 . . . . . 81 MET C . 52197 2
380 . 1 . 1 81 81 MET CA C 13 58.1 0.3 . 1 . . . . . 81 MET CA . 52197 2
381 . 1 . 1 81 81 MET CB C 13 31.719 0.3 . 1 . . . . . 81 MET CB . 52197 2
382 . 1 . 1 81 81 MET CG C 13 29.432 0.3 . 1 . . . . . 81 MET CG . 52197 2
383 . 1 . 1 81 81 MET N N 15 122.015 0.3 . 1 . . . . . 81 MET N . 52197 2
384 . 1 . 1 82 82 LYS C C 13 179.726 0.3 . 1 . . . . . 82 LYS C . 52197 2
385 . 1 . 1 82 82 LYS CA C 13 57.979 0.3 . 1 . . . . . 82 LYS CA . 52197 2
386 . 1 . 1 82 82 LYS CB C 13 26.38 0.3 . 1 . . . . . 82 LYS CB . 52197 2
387 . 1 . 1 82 82 LYS N N 15 117.125 0.3 . 1 . . . . . 82 LYS N . 52197 2
388 . 1 . 1 83 83 LEU C C 13 178.004 0.3 . 1 . . . . . 83 LEU C . 52197 2
389 . 1 . 1 83 83 LEU CA C 13 58.595 0.3 . 1 . . . . . 83 LEU CA . 52197 2
390 . 1 . 1 83 83 LEU CB C 13 42.845 0.3 . 1 . . . . . 83 LEU CB . 52197 2
391 . 1 . 1 83 83 LEU N N 15 120.582 0.3 . 1 . . . . . 83 LEU N . 52197 2
392 . 1 . 1 84 84 ARG C C 13 178.78 0.3 . 1 . . . . . 84 ARG C . 52197 2
393 . 1 . 1 84 84 ARG CA C 13 57.311 0.3 . 1 . . . . . 84 ARG CA . 52197 2
394 . 1 . 1 84 84 ARG CB C 13 31.237 0.3 . 1 . . . . . 84 ARG CB . 52197 2
395 . 1 . 1 84 84 ARG N N 15 117.054 0.3 . 1 . . . . . 84 ARG N . 52197 2
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