###################################
# 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 50909
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name B4
_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 '2D 1H-15N HSQC' . . . 50909 1
2 3DHNCACB . . . 50909 1
3 3DCBCACONH . . . 50909 1
4 3DHNCO . . . 50909 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 . . 50909 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 1 1 THR C C 13 169.679 0 . 1 . . . . . 1 THR C . 50909 1
2 . 1 . 1 1 1 THR CA C 13 62.246 0 . 1 . . . . . 1 THR CA . 50909 1
3 . 1 . 1 1 1 THR CB C 13 69.369 0 . 1 . . . . . 1 THR CB . 50909 1
4 . 1 . 1 2 2 THR H H 1 8.715 0.003 . 1 . . . . . 2 THR HN . 50909 1
5 . 1 . 1 2 2 THR C C 13 173.103 0 . 1 . . . . . 2 THR C . 50909 1
6 . 1 . 1 2 2 THR CA C 13 63.195 0.018 . 1 . . . . . 2 THR CA . 50909 1
7 . 1 . 1 2 2 THR CB C 13 69.085 0.155 . 1 . . . . . 2 THR CB . 50909 1
8 . 1 . 1 2 2 THR N N 15 123.899 0 . 1 . . . . . 2 THR N . 50909 1
9 . 1 . 1 3 3 TYR H H 1 9.206 0.002 . 1 . . . . . 3 TYR HN . 50909 1
10 . 1 . 1 3 3 TYR C C 13 174.61 0 . 1 . . . . . 3 TYR C . 50909 1
11 . 1 . 1 3 3 TYR CA C 13 57.196 0.045 . 1 . . . . . 3 TYR CA . 50909 1
12 . 1 . 1 3 3 TYR CB C 13 42.813 0.017 . 1 . . . . . 3 TYR CB . 50909 1
13 . 1 . 1 3 3 TYR N N 15 126.979 0 . 1 . . . . . 3 TYR N . 50909 1
14 . 1 . 1 4 4 LYS H H 1 9.007 0.006 . 1 . . . . . 4 LYS HN . 50909 1
15 . 1 . 1 4 4 LYS C C 13 173.186 0 . 1 . . . . . 4 LYS C . 50909 1
16 . 1 . 1 4 4 LYS CA C 13 55.606 0.1 . 1 . . . . . 4 LYS CA . 50909 1
17 . 1 . 1 4 4 LYS CB C 13 35.745 0.072 . 1 . . . . . 4 LYS CB . 50909 1
18 . 1 . 1 4 4 LYS N N 15 122.11 0 . 1 . . . . . 4 LYS N . 50909 1
19 . 1 . 1 5 5 LEU H H 1 8.423 0.004 . 1 . . . . . 5 LEU HN . 50909 1
20 . 1 . 1 5 5 LEU C C 13 173.186 0 . 1 . . . . . 5 LEU C . 50909 1
21 . 1 . 1 5 5 LEU CA C 13 53.114 0.017 . 1 . . . . . 5 LEU CA . 50909 1
22 . 1 . 1 5 5 LEU CB C 13 42.703 0.017 . 1 . . . . . 5 LEU CB . 50909 1
23 . 1 . 1 5 5 LEU N N 15 125.887 0 . 1 . . . . . 5 LEU N . 50909 1
24 . 1 . 1 6 6 ILE H H 1 9.09 0.004 . 1 . . . . . 6 ILE HN . 50909 1
25 . 1 . 1 6 6 ILE C C 13 174.528 0 . 1 . . . . . 6 ILE C . 50909 1
26 . 1 . 1 6 6 ILE CA C 13 59.743 0.018 . 1 . . . . . 6 ILE CA . 50909 1
27 . 1 . 1 6 6 ILE CB C 13 38.703 0.126 . 1 . . . . . 6 ILE CB . 50909 1
28 . 1 . 1 6 6 ILE N N 15 126.929 0 . 1 . . . . . 6 ILE N . 50909 1
29 . 1 . 1 7 7 LEU H H 1 8.555 0.004 . 1 . . . . . 7 LEU HN . 50909 1
30 . 1 . 1 7 7 LEU C C 13 174.665 0 . 1 . . . . . 7 LEU C . 50909 1
31 . 1 . 1 7 7 LEU CA C 13 53.908 0.209 . 1 . . . . . 7 LEU CA . 50909 1
32 . 1 . 1 7 7 LEU CB C 13 41.005 0.127 . 1 . . . . . 7 LEU CB . 50909 1
33 . 1 . 1 7 7 LEU N N 15 126.286 0 . 1 . . . . . 7 LEU N . 50909 1
34 . 1 . 1 8 8 ASN H H 1 8.798 0.002 . 1 . . . . . 8 ASN HN . 50909 1
35 . 1 . 1 8 8 ASN C C 13 174.062 0 . 1 . . . . . 8 ASN C . 50909 1
36 . 1 . 1 8 8 ASN CA C 13 51.626 0 . 1 . . . . . 8 ASN CA . 50909 1
37 . 1 . 1 8 8 ASN CB C 13 37.7 0 . 1 . . . . . 8 ASN CB . 50909 1
38 . 1 . 1 8 8 ASN N N 15 124.405 0 . 1 . . . . . 8 ASN N . 50909 1
39 . 1 . 1 9 9 LEU H H 1 7.5 0.002 . 1 . . . . . 9 LEU HN . 50909 1
40 . 1 . 1 9 9 LEU C C 13 177.213 0 . 1 . . . . . 9 LEU C . 50909 1
41 . 1 . 1 9 9 LEU CA C 13 53.46 0 . 1 . . . . . 9 LEU CA . 50909 1
42 . 1 . 1 9 9 LEU CB C 13 42.775 0 . 1 . . . . . 9 LEU CB . 50909 1
43 . 1 . 1 9 9 LEU N N 15 120.861 0 . 1 . . . . . 9 LEU N . 50909 1
44 . 1 . 1 11 11 PHE CA C 13 55.945 0 . 1 . . . . . 11 PHE CA . 50909 1
45 . 1 . 1 11 11 PHE CB C 13 42.184 0 . 1 . . . . . 11 PHE CB . 50909 1
46 . 1 . 1 12 12 ALA H H 1 8.322 0.002 . 1 . . . . . 12 ALA HN . 50909 1
47 . 1 . 1 12 12 ALA C C 13 179.788 0 . 1 . . . . . 12 ALA C . 50909 1
48 . 1 . 1 12 12 ALA CA C 13 55.049 0 . 1 . . . . . 12 ALA CA . 50909 1
49 . 1 . 1 12 12 ALA CB C 13 18.174 0 . 1 . . . . . 12 ALA CB . 50909 1
50 . 1 . 1 12 12 ALA N N 15 120.018 0.022 . 1 . . . . . 12 ALA N . 50909 1
51 . 1 . 1 13 13 PHE CA C 13 57.096 0 . 1 . . . . . 13 PHE CA . 50909 1
52 . 1 . 1 13 13 PHE CB C 13 40.878 0 . 1 . . . . . 13 PHE CB . 50909 1
53 . 1 . 1 14 14 GLY H H 1 8.229 0.006 . 1 . . . . . 14 GLY HN . 50909 1
54 . 1 . 1 14 14 GLY C C 13 175.761 0 . 1 . . . . . 14 GLY C . 50909 1
55 . 1 . 1 14 14 GLY CA C 13 44.967 0 . 1 . . . . . 14 GLY CA . 50909 1
56 . 1 . 1 14 14 GLY N N 15 111.199 0 . 1 . . . . . 14 GLY N . 50909 1
57 . 1 . 1 15 15 ASP CA C 13 53.535 0 . 1 . . . . . 15 ASP CA . 50909 1
58 . 1 . 1 15 15 ASP CB C 13 43.289 0 . 1 . . . . . 15 ASP CB . 50909 1
59 . 1 . 1 16 16 THR H H 1 8.495 0.004 . 1 . . . . . 16 THR HN . 50909 1
60 . 1 . 1 16 16 THR C C 13 171.843 0 . 1 . . . . . 16 THR C . 50909 1
61 . 1 . 1 16 16 THR CA C 13 60.894 0.037 . 1 . . . . . 16 THR CA . 50909 1
62 . 1 . 1 16 16 THR CB C 13 69.359 0.045 . 1 . . . . . 16 THR CB . 50909 1
63 . 1 . 1 16 16 THR N N 15 113.527 0 . 1 . . . . . 16 THR N . 50909 1
64 . 1 . 1 17 17 ASN H H 1 8.346 0.004 . 1 . . . . . 17 ASN HN . 50909 1
65 . 1 . 1 17 17 ASN C C 13 174.555 0 . 1 . . . . . 17 ASN C . 50909 1
66 . 1 . 1 17 17 ASN CA C 13 52.428 0.045 . 1 . . . . . 17 ASN CA . 50909 1
67 . 1 . 1 17 17 ASN CB C 13 42.402 0.065 . 1 . . . . . 17 ASN CB . 50909 1
68 . 1 . 1 17 17 ASN N N 15 119.224 0 . 1 . . . . . 17 ASN N . 50909 1
69 . 1 . 1 18 18 SER H H 1 9.184 0.003 . 1 . . . . . 18 SER HN . 50909 1
70 . 1 . 1 18 18 SER C C 13 173.076 0 . 1 . . . . . 18 SER C . 50909 1
71 . 1 . 1 18 18 SER CA C 13 59.059 0.1 . 1 . . . . . 18 SER CA . 50909 1
72 . 1 . 1 18 18 SER CB C 13 66.784 0.155 . 1 . . . . . 18 SER CB . 50909 1
73 . 1 . 1 18 18 SER N N 15 113.723 0 . 1 . . . . . 18 SER N . 50909 1
74 . 1 . 1 19 19 GLU H H 1 8.555 0.004 . 1 . . . . . 19 GLU HN . 50909 1
75 . 1 . 1 19 19 GLU C C 13 176.254 0 . 1 . . . . . 19 GLU C . 50909 1
76 . 1 . 1 19 19 GLU CA C 13 55.525 0.181 . 1 . . . . . 19 GLU CA . 50909 1
77 . 1 . 1 19 19 GLU CB C 13 30.512 0.011 . 1 . . . . . 19 GLU CB . 50909 1
78 . 1 . 1 19 19 GLU N N 15 125.471 0 . 1 . . . . . 19 GLU N . 50909 1
79 . 1 . 1 20 20 ALA H H 1 9.034 0.003 . 1 . . . . . 20 ALA HN . 50909 1
80 . 1 . 1 20 20 ALA C C 13 176.994 0 . 1 . . . . . 20 ALA C . 50909 1
81 . 1 . 1 20 20 ALA CA C 13 51.495 0.042 . 1 . . . . . 20 ALA CA . 50909 1
82 . 1 . 1 20 20 ALA CB C 13 22.623 0.099 . 1 . . . . . 20 ALA CB . 50909 1
83 . 1 . 1 20 20 ALA N N 15 124.849 0.012 . 1 . . . . . 20 ALA N . 50909 1
84 . 1 . 1 21 21 VAL H H 1 8.904 0.004 . 1 . . . . . 21 VAL HN . 50909 1
85 . 1 . 1 21 21 VAL C C 13 175.843 0 . 1 . . . . . 21 VAL C . 50909 1
86 . 1 . 1 21 21 VAL CA C 13 64.318 0.045 . 1 . . . . . 21 VAL CA . 50909 1
87 . 1 . 1 21 21 VAL CB C 13 31.992 0.044 . 1 . . . . . 21 VAL CB . 50909 1
88 . 1 . 1 21 21 VAL N N 15 117.789 0 . 1 . . . . . 21 VAL N . 50909 1
89 . 1 . 1 22 22 ASP H H 1 7.402 0.005 . 1 . . . . . 22 ASP HN . 50909 1
90 . 1 . 1 22 22 ASP C C 13 174.966 0 . 1 . . . . . 22 ASP C . 50909 1
91 . 1 . 1 22 22 ASP CA C 13 52.638 0 . 1 . . . . . 22 ASP CA . 50909 1
92 . 1 . 1 22 22 ASP CB C 13 41.899 0 . 1 . . . . . 22 ASP CB . 50909 1
93 . 1 . 1 22 22 ASP N N 15 115.675 0 . 1 . . . . . 22 ASP N . 50909 1
94 . 1 . 1 23 23 ALA CA C 13 54.576 0 . 1 . . . . . 23 ALA CA . 50909 1
95 . 1 . 1 23 23 ALA CB C 13 17.428 0 . 1 . . . . . 23 ALA CB . 50909 1
96 . 1 . 1 24 24 ALA H H 1 7.858 0.002 . 1 . . . . . 24 ALA HN . 50909 1
97 . 1 . 1 24 24 ALA C C 13 180.61 0 . 1 . . . . . 24 ALA C . 50909 1
98 . 1 . 1 24 24 ALA CA C 13 54.922 0.072 . 1 . . . . . 24 ALA CA . 50909 1
99 . 1 . 1 24 24 ALA CB C 13 17.582 0.12 . 1 . . . . . 24 ALA CB . 50909 1
100 . 1 . 1 24 24 ALA N N 15 121.797 0 . 1 . . . . . 24 ALA N . 50909 1
101 . 1 . 1 25 25 GLU H H 1 7.924 0.004 . 1 . . . . . 25 GLU HN . 50909 1
102 . 1 . 1 25 25 GLU C C 13 178.884 0 . 1 . . . . . 25 GLU C . 50909 1
103 . 1 . 1 25 25 GLU CA C 13 58.73 0.174 . 1 . . . . . 25 GLU CA . 50909 1
104 . 1 . 1 25 25 GLU CB C 13 29.006 0.202 . 1 . . . . . 25 GLU CB . 50909 1
105 . 1 . 1 25 25 GLU N N 15 120.147 0 . 1 . . . . . 25 GLU N . 50909 1
106 . 1 . 1 26 26 ALA H H 1 7.481 0.003 . 1 . . . . . 26 ALA HN . 50909 1
107 . 1 . 1 26 26 ALA C C 13 177.267 0 . 1 . . . . . 26 ALA C . 50909 1
108 . 1 . 1 26 26 ALA CA C 13 54.922 0.182 . 1 . . . . . 26 ALA CA . 50909 1
109 . 1 . 1 26 26 ALA CB C 13 17.171 0.181 . 1 . . . . . 26 ALA CB . 50909 1
110 . 1 . 1 26 26 ALA N N 15 121.636 0 . 1 . . . . . 26 ALA N . 50909 1
111 . 1 . 1 27 27 GLU H H 1 8.188 0.005 . 1 . . . . . 27 GLU HN . 50909 1
112 . 1 . 1 27 27 GLU C C 13 177.459 0 . 1 . . . . . 27 GLU C . 50909 1
113 . 1 . 1 27 27 GLU CA C 13 59.689 0.401 . 1 . . . . . 27 GLU CA . 50909 1
114 . 1 . 1 27 27 GLU CB C 13 29.142 0.011 . 1 . . . . . 27 GLU CB . 50909 1
115 . 1 . 1 27 27 GLU N N 15 117.307 0 . 1 . . . . . 27 GLU N . 50909 1
116 . 1 . 1 28 28 LYS H H 1 7.156 0.004 . 1 . . . . . 28 LYS HN . 50909 1
117 . 1 . 1 28 28 LYS C C 13 179.815 0 . 1 . . . . . 28 LYS C . 50909 1
118 . 1 . 1 28 28 LYS CA C 13 59.452 0 . 1 . . . . . 28 LYS CA . 50909 1
119 . 1 . 1 28 28 LYS CB C 13 32.129 0.017 . 1 . . . . . 28 LYS CB . 50909 1
120 . 1 . 1 28 28 LYS N N 15 117.233 0 . 1 . . . . . 28 LYS N . 50909 1
121 . 1 . 1 29 29 LYS H H 1 7.641 0.001 . 1 . . . . . 29 LYS HN . 50909 1
122 . 1 . 1 29 29 LYS C C 13 180.637 0 . 1 . . . . . 29 LYS C . 50909 1
123 . 1 . 1 29 29 LYS CA C 13 59.387 0.319 . 1 . . . . . 29 LYS CA . 50909 1
124 . 1 . 1 29 29 LYS CB C 13 31.691 0.127 . 1 . . . . . 29 LYS CB . 50909 1
125 . 1 . 1 29 29 LYS N N 15 119.721 0 . 1 . . . . . 29 LYS N . 50909 1
126 . 1 . 1 30 30 PHE H H 1 8.753 0.01 . 1 . . . . . 30 PHE HN . 50909 1
127 . 1 . 1 30 30 PHE C C 13 178.528 0 . 1 . . . . . 30 PHE C . 50909 1
128 . 1 . 1 30 30 PHE CA C 13 57.141 0.154 . 1 . . . . . 30 PHE CA . 50909 1
129 . 1 . 1 30 30 PHE CB C 13 37.142 0.065 . 1 . . . . . 30 PHE CB . 50909 1
130 . 1 . 1 30 30 PHE N N 15 120.962 0.008 . 1 . . . . . 30 PHE N . 50909 1
131 . 1 . 1 31 31 LYS H H 1 9.036 0.002 . 1 . . . . . 31 LYS HN . 50909 1
132 . 1 . 1 31 31 LYS C C 13 179.432 0 . 1 . . . . . 31 LYS C . 50909 1
133 . 1 . 1 31 31 LYS CA C 13 59.797 0.181 . 1 . . . . . 31 LYS CA . 50909 1
134 . 1 . 1 31 31 LYS CB C 13 31.225 0.318 . 1 . . . . . 31 LYS CB . 50909 1
135 . 1 . 1 31 31 LYS N N 15 123.45 0.01 . 1 . . . . . 31 LYS N . 50909 1
136 . 1 . 1 32 32 GLN H H 1 7.555 0.005 . 1 . . . . . 32 GLN HN . 50909 1
137 . 1 . 1 32 32 GLN C C 13 177.267 0 . 1 . . . . . 32 GLN C . 50909 1
138 . 1 . 1 32 32 GLN CA C 13 59.195 0.127 . 1 . . . . . 32 GLN CA . 50909 1
139 . 1 . 1 32 32 GLN CB C 13 27.855 0.017 . 1 . . . . . 32 GLN CB . 50909 1
140 . 1 . 1 32 32 GLN N N 15 120.125 0 . 1 . . . . . 32 GLN N . 50909 1
141 . 1 . 1 33 33 TYR H H 1 8.177 0.002 . 1 . . . . . 33 TYR HN . 50909 1
142 . 1 . 1 33 33 TYR C C 13 179.048 0 . 1 . . . . . 33 TYR C . 50909 1
143 . 1 . 1 33 33 TYR CA C 13 61.743 0.319 . 1 . . . . . 33 TYR CA . 50909 1
144 . 1 . 1 33 33 TYR CB C 13 38.265 0.017 . 1 . . . . . 33 TYR CB . 50909 1
145 . 1 . 1 33 33 TYR N N 15 120.891 0 . 1 . . . . . 33 TYR N . 50909 1
146 . 1 . 1 34 34 ALA H H 1 9.29 0.003 . 1 . . . . . 34 ALA HN . 50909 1
147 . 1 . 1 34 34 ALA C C 13 179.569 0 . 1 . . . . . 34 ALA C . 50909 1
148 . 1 . 1 34 34 ALA CA C 13 56.072 0.236 . 1 . . . . . 34 ALA CA . 50909 1
149 . 1 . 1 34 34 ALA CB C 13 17.555 0.072 . 1 . . . . . 34 ALA CB . 50909 1
150 . 1 . 1 34 34 ALA N N 15 123.09 0 . 1 . . . . . 34 ALA N . 50909 1
151 . 1 . 1 35 35 ASN H H 1 8.489 0.005 . 1 . . . . . 35 ASN HN . 50909 1
152 . 1 . 1 35 35 ASN C C 13 179.185 0 . 1 . . . . . 35 ASN C . 50909 1
153 . 1 . 1 35 35 ASN CA C 13 56.867 0.119 . 1 . . . . . 35 ASN CA . 50909 1
154 . 1 . 1 35 35 ASN CB C 13 38.758 0.127 . 1 . . . . . 35 ASN CB . 50909 1
155 . 1 . 1 35 35 ASN N N 15 118.699 0.013 . 1 . . . . . 35 ASN N . 50909 1
156 . 1 . 1 36 36 ASP H H 1 8.765 0.008 . 1 . . . . . 36 ASP HN . 50909 1
157 . 1 . 1 36 36 ASP C C 13 177.103 0 . 1 . . . . . 36 ASP C . 50909 1
158 . 1 . 1 36 36 ASP CA C 13 57.032 0.099 . 1 . . . . . 36 ASP CA . 50909 1
159 . 1 . 1 36 36 ASP CB C 13 39.854 0.017 . 1 . . . . . 36 ASP CB . 50909 1
160 . 1 . 1 36 36 ASP N N 15 120.965 0.003 . 1 . . . . . 36 ASP N . 50909 1
161 . 1 . 1 37 37 HIS H H 1 7.602 0.005 . 1 . . . . . 37 HIS HN . 50909 1
162 . 1 . 1 37 37 HIS C C 13 174.117 0 . 1 . . . . . 37 HIS C . 50909 1
163 . 1 . 1 37 37 HIS CA C 13 56.291 0.237 . 1 . . . . . 37 HIS CA . 50909 1
164 . 1 . 1 37 37 HIS CB C 13 28.43 0.065 . 1 . . . . . 37 HIS CB . 50909 1
165 . 1 . 1 37 37 HIS N N 15 114.766 0 . 1 . . . . . 37 HIS N . 50909 1
166 . 1 . 1 38 38 GLY H H 1 7.855 0.005 . 1 . . . . . 38 GLY HN . 50909 1
167 . 1 . 1 38 38 GLY C C 13 174.254 0 . 1 . . . . . 38 GLY C . 50909 1
168 . 1 . 1 38 38 GLY CA C 13 47.005 0.01 . 1 . . . . . 38 GLY CA . 50909 1
169 . 1 . 1 38 38 GLY N N 15 109.568 0.037 . 1 . . . . . 38 GLY N . 50909 1
170 . 1 . 1 39 39 VAL H H 1 8.183 0.002 . 1 . . . . . 39 VAL HN . 50909 1
171 . 1 . 1 39 39 VAL C C 13 173.98 0 . 1 . . . . . 39 VAL C . 50909 1
172 . 1 . 1 39 39 VAL CA C 13 61.689 0.155 . 1 . . . . . 39 VAL CA . 50909 1
173 . 1 . 1 39 39 VAL CB C 13 33.553 0.126 . 1 . . . . . 39 VAL CB . 50909 1
174 . 1 . 1 39 39 VAL N N 15 118.998 0.022 . 1 . . . . . 39 VAL N . 50909 1
175 . 1 . 1 40 40 ASP H H 1 8.146 0.003 . 1 . . . . . 40 ASP HN . 50909 1
176 . 1 . 1 40 40 ASP C C 13 174.16 0 . 1 . . . . . 40 ASP C . 50909 1
177 . 1 . 1 40 40 ASP CA C 13 52.962 0.023 . 1 . . . . . 40 ASP CA . 50909 1
178 . 1 . 1 40 40 ASP CB C 13 43.209 0.202 . 1 . . . . . 40 ASP CB . 50909 1
179 . 1 . 1 40 40 ASP N N 15 125.596 0 . 1 . . . . . 40 ASP N . 50909 1
180 . 1 . 1 41 41 GLY H H 1 8.014 0.002 . 1 . . . . . 41 GLY HN . 50909 1
181 . 1 . 1 41 41 GLY C C 13 171.98 0 . 1 . . . . . 41 GLY C . 50909 1
182 . 1 . 1 41 41 GLY CA C 13 45.498 0.181 . 1 . . . . . 41 GLY CA . 50909 1
183 . 1 . 1 41 41 GLY N N 15 107.569 0.032 . 1 . . . . . 41 GLY N . 50909 1
184 . 1 . 1 42 42 GLU H H 1 8.467 0.003 . 1 . . . . . 42 GLU HN . 50909 1
185 . 1 . 1 42 42 GLU C C 13 176.966 0 . 1 . . . . . 42 GLU C . 50909 1
186 . 1 . 1 42 42 GLU CA C 13 55.689 0.182 . 1 . . . . . 42 GLU CA . 50909 1
187 . 1 . 1 42 42 GLU CB C 13 31.307 0.017 . 1 . . . . . 42 GLU CB . 50909 1
188 . 1 . 1 42 42 GLU N N 15 120.746 0 . 1 . . . . . 42 GLU N . 50909 1
189 . 1 . 1 43 43 TRP H H 1 9.35 0.004 . 1 . . . . . 43 TRP HN . 50909 1
190 . 1 . 1 43 43 TRP C C 13 176.994 0 . 1 . . . . . 43 TRP C . 50909 1
191 . 1 . 1 43 43 TRP CA C 13 58.099 0.073 . 1 . . . . . 43 TRP CA . 50909 1
192 . 1 . 1 43 43 TRP CB C 13 30.348 0.065 . 1 . . . . . 43 TRP CB . 50909 1
193 . 1 . 1 43 43 TRP N N 15 128.31 0 . 1 . . . . . 43 TRP N . 50909 1
194 . 1 . 1 44 44 THR H H 1 9.293 0.005 . 1 . . . . . 44 THR HN . 50909 1
195 . 1 . 1 44 44 THR C C 13 172.583 0 . 1 . . . . . 44 THR C . 50909 1
196 . 1 . 1 44 44 THR CA C 13 60.757 0.01 . 1 . . . . . 44 THR CA . 50909 1
197 . 1 . 1 44 44 THR CB C 13 72.454 0.073 . 1 . . . . . 44 THR CB . 50909 1
198 . 1 . 1 44 44 THR N N 15 114.98 0 . 1 . . . . . 44 THR N . 50909 1
199 . 1 . 1 45 45 TYR H H 1 8.624 0.004 . 1 . . . . . 45 TYR HN . 50909 1
200 . 1 . 1 45 45 TYR C C 13 173.46 0 . 1 . . . . . 45 TYR C . 50909 1
201 . 1 . 1 45 45 TYR CA C 13 56.894 0.072 . 1 . . . . . 45 TYR CA . 50909 1
202 . 1 . 1 45 45 TYR CB C 13 41.58 0.154 . 1 . . . . . 45 TYR CB . 50909 1
203 . 1 . 1 45 45 TYR N N 15 121.563 0 . 1 . . . . . 45 TYR N . 50909 1
204 . 1 . 1 46 46 ASP H H 1 7.609 0.006 . 1 . . . . . 46 ASP HN . 50909 1
205 . 1 . 1 46 46 ASP C C 13 174.583 0 . 1 . . . . . 46 ASP C . 50909 1
206 . 1 . 1 46 46 ASP CA C 13 51.826 0.045 . 1 . . . . . 46 ASP CA . 50909 1
207 . 1 . 1 46 46 ASP CB C 13 43.197 0.072 . 1 . . . . . 46 ASP CB . 50909 1
208 . 1 . 1 46 46 ASP N N 15 128.314 0 . 1 . . . . . 46 ASP N . 50909 1
209 . 1 . 1 47 47 ASP H H 1 8.53 0.003 . 1 . . . . . 47 ASP HN . 50909 1
210 . 1 . 1 47 47 ASP C C 13 177.815 0 . 1 . . . . . 47 ASP C . 50909 1
211 . 1 . 1 47 47 ASP CA C 13 56.291 0.127 . 1 . . . . . 47 ASP CA . 50909 1
212 . 1 . 1 47 47 ASP CB C 13 42.019 0.011 . 1 . . . . . 47 ASP CB . 50909 1
213 . 1 . 1 47 47 ASP N N 15 125.049 0.013 . 1 . . . . . 47 ASP N . 50909 1
214 . 1 . 1 48 48 ALA H H 1 8.236 0.007 . 1 . . . . . 48 ALA HN . 50909 1
215 . 1 . 1 48 48 ALA C C 13 179.815 0 . 1 . . . . . 48 ALA C . 50909 1
216 . 1 . 1 48 48 ALA CA C 13 55.059 0.01 . 1 . . . . . 48 ALA CA . 50909 1
217 . 1 . 1 48 48 ALA CB C 13 18.184 0.065 . 1 . . . . . 48 ALA CB . 50909 1
218 . 1 . 1 48 48 ALA N N 15 119.733 0 . 1 . . . . . 48 ALA N . 50909 1
219 . 1 . 1 49 49 THR H H 1 6.964 0.005 . 1 . . . . . 49 THR HN . 50909 1
220 . 1 . 1 49 49 THR C C 13 175.487 0 . 1 . . . . . 49 THR C . 50909 1
221 . 1 . 1 49 49 THR CA C 13 60.511 0.073 . 1 . . . . . 49 THR CA . 50909 1
222 . 1 . 1 49 49 THR CB C 13 70.263 0.018 . 1 . . . . . 49 THR CB . 50909 1
223 . 1 . 1 49 49 THR N N 15 103.173 0 . 1 . . . . . 49 THR N . 50909 1
224 . 1 . 1 50 50 LYS H H 1 7.844 0.004 . 1 . . . . . 50 LYS HN . 50909 1
225 . 1 . 1 50 50 LYS C C 13 174.966 0 . 1 . . . . . 50 LYS C . 50909 1
226 . 1 . 1 50 50 LYS CA C 13 56.565 0.127 . 1 . . . . . 50 LYS CA . 50909 1
227 . 1 . 1 50 50 LYS CB C 13 29.143 0.175 . 1 . . . . . 50 LYS CB . 50909 1
228 . 1 . 1 50 50 LYS N N 15 123.064 0 . 1 . . . . . 50 LYS N . 50909 1
229 . 1 . 1 51 51 THR H H 1 7.4 0.006 . 1 . . . . . 51 THR HN . 50909 1
230 . 1 . 1 51 51 THR C C 13 174.692 0 . 1 . . . . . 51 THR C . 50909 1
231 . 1 . 1 51 51 THR CA C 13 62.264 0.073 . 1 . . . . . 51 THR CA . 50909 1
232 . 1 . 1 51 51 THR CB C 13 72.18 0.017 . 1 . . . . . 51 THR CB . 50909 1
233 . 1 . 1 51 51 THR N N 15 111.31 0 . 1 . . . . . 51 THR N . 50909 1
234 . 1 . 1 52 52 PHE H H 1 10.244 0.004 . 1 . . . . . 52 PHE HN . 50909 1
235 . 1 . 1 52 52 PHE C C 13 174.336 0 . 1 . . . . . 52 PHE C . 50909 1
236 . 1 . 1 52 52 PHE CA C 13 57.332 0.073 . 1 . . . . . 52 PHE CA . 50909 1
237 . 1 . 1 52 52 PHE CB C 13 42.293 0.099 . 1 . . . . . 52 PHE CB . 50909 1
238 . 1 . 1 52 52 PHE N N 15 131.082 0 . 1 . . . . . 52 PHE N . 50909 1
239 . 1 . 1 53 53 THR H H 1 9.116 0.003 . 1 . . . . . 53 THR HN . 50909 1
240 . 1 . 1 53 53 THR C C 13 172.747 0 . 1 . . . . . 53 THR C . 50909 1
241 . 1 . 1 53 53 THR CA C 13 61.552 0.072 . 1 . . . . . 53 THR CA . 50909 1
242 . 1 . 1 53 53 THR CB C 13 70.729 0.1 . 1 . . . . . 53 THR CB . 50909 1
243 . 1 . 1 53 53 THR N N 15 118.009 0.002 . 1 . . . . . 53 THR N . 50909 1
244 . 1 . 1 54 54 VAL H H 1 8.361 0.004 . 1 . . . . . 54 VAL HN . 50909 1
245 . 1 . 1 54 54 VAL C C 13 173.597 0 . 1 . . . . . 54 VAL C . 50909 1
246 . 1 . 1 54 54 VAL CA C 13 59.059 0.045 . 1 . . . . . 54 VAL CA . 50909 1
247 . 1 . 1 54 54 VAL CB C 13 32.376 0.045 . 1 . . . . . 54 VAL CB . 50909 1
248 . 1 . 1 54 54 VAL N N 15 125.246 0 . 1 . . . . . 54 VAL N . 50909 1
249 . 1 . 1 55 55 THR H H 1 8.459 0.003 . 1 . . . . . 55 THR HN . 50909 1
250 . 1 . 1 55 55 THR C C 13 173.734 0 . 1 . . . . . 55 THR C . 50909 1
251 . 1 . 1 55 55 THR CA C 13 61.359 0.01 . 1 . . . . . 55 THR CA . 50909 1
252 . 1 . 1 55 55 THR CB C 13 70.619 0.045 . 1 . . . . . 55 THR CB . 50909 1
253 . 1 . 1 55 55 THR N N 15 122.95 0 . 1 . . . . . 55 THR N . 50909 1
254 . 1 . 1 56 56 ALA H H 1 8.088 0.003 . 1 . . . . . 56 ALA HN . 50909 1
255 . 1 . 1 56 56 ALA C C 13 181.294 0 . 1 . . . . . 56 ALA C . 50909 1
256 . 1 . 1 56 56 ALA CA C 13 53.734 0 . 1 . . . . . 56 ALA CA . 50909 1
257 . 1 . 1 56 56 ALA CB C 13 21.516 0 . 1 . . . . . 56 ALA CB . 50909 1
258 . 1 . 1 56 56 ALA N N 15 134.966 0 . 1 . . . . . 56 ALA N . 50909 1
stop_
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