###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_drkN_SH3_free_folded_in_the_presence_of_DnaK
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_drkN_SH3_free_folded_in_the_presence_of_DnaK
_Assigned_chem_shift_list.Entry_ID 25500
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition
_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 1' . . . 25500 1
2 '3D CBCA(CO)NH 1' . . . 25500 1
3 '3D HNCACB 1' . . . 25500 1
4 '3D HNCO 1' . . . 25500 1
5 '3D (HCA)CO(CA)NH 1' . . . 25500 1
6 '2D 1H-15N HSQC 2' . . . 25500 1
7 '3D CBCA(CO)NH 2' . . . 25500 1
8 '3D HNCACB 2' . . . 25500 1
9 '3D HNCO 2' . . . 25500 1
10 '3D (HCA)CO(CA)NH 2' . . . 25500 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 13 173.883 . . 1 . . . . 1 MET C . 25500 1
2 . 1 1 1 1 MET CA C 13 55.607 . . 1 . . . . 1 MET CA . 25500 1
3 . 1 1 1 1 MET CB C 13 34.430 . . 1 . . . . 1 MET CB . 25500 1
4 . 1 1 2 2 GLU H H 1 8.779 . . 1 . . . . 2 GLU H . 25500 1
5 . 1 1 2 2 GLU C C 13 174.205 . . 1 . . . . 2 GLU C . 25500 1
6 . 1 1 2 2 GLU CA C 13 55.220 . . 1 . . . . 2 GLU CA . 25500 1
7 . 1 1 2 2 GLU CB C 13 33.788 . . 1 . . . . 2 GLU CB . 25500 1
8 . 1 1 2 2 GLU N N 15 124.344 . . 1 . . . . 2 GLU N . 25500 1
9 . 1 1 3 3 ALA H H 1 8.966 . . 1 . . . . 3 ALA H . 25500 1
10 . 1 1 3 3 ALA C C 13 174.399 . . 1 . . . . 3 ALA C . 25500 1
11 . 1 1 3 3 ALA CA C 13 50.440 . . 1 . . . . 3 ALA CA . 25500 1
12 . 1 1 3 3 ALA CB C 13 25.000 . . 1 . . . . 3 ALA CB . 25500 1
13 . 1 1 3 3 ALA N N 15 122.224 . . 1 . . . . 3 ALA N . 25500 1
14 . 1 1 4 4 ILE H H 1 8.831 . . 1 . . . . 4 ILE H . 25500 1
15 . 1 1 4 4 ILE C C 13 176.110 . . 1 . . . . 4 ILE C . 25500 1
16 . 1 1 4 4 ILE CA C 13 59.218 . . 1 . . . . 4 ILE CA . 25500 1
17 . 1 1 4 4 ILE CB C 13 40.982 . . 1 . . . . 4 ILE CB . 25500 1
18 . 1 1 4 4 ILE N N 15 119.078 . . 1 . . . . 4 ILE N . 25500 1
19 . 1 1 5 5 ALA H H 1 8.783 . . 1 . . . . 5 ALA H . 25500 1
20 . 1 1 5 5 ALA C C 13 178.987 . . 1 . . . . 5 ALA C . 25500 1
21 . 1 1 5 5 ALA CA C 13 52.927 . . 1 . . . . 5 ALA CA . 25500 1
22 . 1 1 5 5 ALA CB C 13 21.444 . . 1 . . . . 5 ALA CB . 25500 1
23 . 1 1 5 5 ALA N N 15 128.167 . . 1 . . . . 5 ALA N . 25500 1
24 . 1 1 6 6 LYS H H 1 9.406 . . 1 . . . . 6 LYS H . 25500 1
25 . 1 1 6 6 LYS C C 13 174.410 . . 1 . . . . 6 LYS C . 25500 1
26 . 1 1 6 6 LYS CA C 13 56.477 . . 1 . . . . 6 LYS CA . 25500 1
27 . 1 1 6 6 LYS CB C 13 33.185 . . 1 . . . . 6 LYS CB . 25500 1
28 . 1 1 6 6 LYS N N 15 126.020 . . 1 . . . . 6 LYS N . 25500 1
29 . 1 1 7 7 HIS H H 1 7.467 . . 1 . . . . 7 HIS H . 25500 1
30 . 1 1 7 7 HIS C C 13 173.018 . . 1 . . . . 7 HIS C . 25500 1
31 . 1 1 7 7 HIS CA C 13 53.747 . . 1 . . . . 7 HIS CA . 25500 1
32 . 1 1 7 7 HIS CB C 13 34.891 . . 1 . . . . 7 HIS CB . 25500 1
33 . 1 1 7 7 HIS N N 15 114.155 . . 1 . . . . 7 HIS N . 25500 1
34 . 1 1 8 8 ASP H H 1 8.532 . . 1 . . . . 8 ASP H . 25500 1
35 . 1 1 8 8 ASP C C 13 175.724 . . 1 . . . . 8 ASP C . 25500 1
36 . 1 1 8 8 ASP CA C 13 54.828 . . 1 . . . . 8 ASP CA . 25500 1
37 . 1 1 8 8 ASP CB C 13 41.717 . . 1 . . . . 8 ASP CB . 25500 1
38 . 1 1 8 8 ASP N N 15 119.236 . . 1 . . . . 8 ASP N . 25500 1
39 . 1 1 9 9 PHE H H 1 8.553 . . 1 . . . . 9 PHE H . 25500 1
40 . 1 1 9 9 PHE C C 13 173.636 . . 1 . . . . 9 PHE C . 25500 1
41 . 1 1 9 9 PHE CB C 13 43.070 . . 1 . . . . 9 PHE CB . 25500 1
42 . 1 1 9 9 PHE N N 15 121.321 . . 1 . . . . 9 PHE N . 25500 1
43 . 1 1 10 10 SER H H 1 7.633 . . 1 . . . . 10 SER H . 25500 1
44 . 1 1 10 10 SER C C 13 171.612 . . 1 . . . . 10 SER C . 25500 1
45 . 1 1 10 10 SER CA C 13 55.684 . . 1 . . . . 10 SER CA . 25500 1
46 . 1 1 10 10 SER CB C 13 63.478 . . 1 . . . . 10 SER CB . 25500 1
47 . 1 1 10 10 SER N N 15 123.633 . . 1 . . . . 10 SER N . 25500 1
48 . 1 1 11 11 ALA H H 1 8.257 . . 1 . . . . 11 ALA H . 25500 1
49 . 1 1 11 11 ALA C C 13 178.483 . . 1 . . . . 11 ALA C . 25500 1
50 . 1 1 11 11 ALA CA C 13 52.941 . . 1 . . . . 11 ALA CA . 25500 1
51 . 1 1 11 11 ALA CB C 13 20.915 . . 1 . . . . 11 ALA CB . 25500 1
52 . 1 1 11 11 ALA N N 15 127.553 . . 1 . . . . 11 ALA N . 25500 1
53 . 1 1 12 12 THR H H 1 9.096 . . 1 . . . . 12 THR H . 25500 1
54 . 1 1 12 12 THR C C 13 173.474 . . 1 . . . . 12 THR C . 25500 1
55 . 1 1 12 12 THR CA C 13 61.853 . . 1 . . . . 12 THR CA . 25500 1
56 . 1 1 12 12 THR CB C 13 70.194 . . 1 . . . . 12 THR CB . 25500 1
57 . 1 1 12 12 THR N N 15 113.708 . . 1 . . . . 12 THR N . 25500 1
58 . 1 1 13 13 ALA H H 1 7.540 . . 1 . . . . 13 ALA H . 25500 1
59 . 1 1 13 13 ALA C C 13 178.256 . . 1 . . . . 13 ALA C . 25500 1
60 . 1 1 13 13 ALA CA C 13 50.749 . . 1 . . . . 13 ALA CA . 25500 1
61 . 1 1 13 13 ALA CB C 13 22.289 . . 1 . . . . 13 ALA CB . 25500 1
62 . 1 1 13 13 ALA N N 15 124.052 . . 1 . . . . 13 ALA N . 25500 1
63 . 1 1 14 14 ASP H H 1 8.604 . . 1 . . . . 14 ASP H . 25500 1
64 . 1 1 14 14 ASP C C 13 176.108 . . 1 . . . . 14 ASP C . 25500 1
65 . 1 1 14 14 ASP CA C 13 56.541 . . 1 . . . . 14 ASP CA . 25500 1
66 . 1 1 14 14 ASP CB C 13 40.672 . . 1 . . . . 14 ASP CB . 25500 1
67 . 1 1 14 14 ASP N N 15 119.037 . . 1 . . . . 14 ASP N . 25500 1
68 . 1 1 15 15 ASP H H 1 8.249 . . 1 . . . . 15 ASP H . 25500 1
69 . 1 1 15 15 ASP C C 13 176.170 . . 1 . . . . 15 ASP C . 25500 1
70 . 1 1 15 15 ASP CA C 13 53.247 . . 1 . . . . 15 ASP CA . 25500 1
71 . 1 1 15 15 ASP CB C 13 40.035 . . 1 . . . . 15 ASP CB . 25500 1
72 . 1 1 15 15 ASP N N 15 114.695 . . 1 . . . . 15 ASP N . 25500 1
73 . 1 1 16 16 GLU H H 1 7.416 . . 1 . . . . 16 GLU H . 25500 1
74 . 1 1 16 16 GLU C C 13 175.211 . . 1 . . . . 16 GLU C . 25500 1
75 . 1 1 16 16 GLU CA C 13 55.250 . . 1 . . . . 16 GLU CA . 25500 1
76 . 1 1 16 16 GLU CB C 13 33.114 . . 1 . . . . 16 GLU CB . 25500 1
77 . 1 1 16 16 GLU N N 15 119.380 . . 1 . . . . 16 GLU N . 25500 1
78 . 1 1 17 17 LEU H H 1 8.551 . . 1 . . . . 17 LEU H . 25500 1
79 . 1 1 17 17 LEU C C 13 174.403 . . 1 . . . . 17 LEU C . 25500 1
80 . 1 1 17 17 LEU CA C 13 53.635 . . 1 . . . . 17 LEU CA . 25500 1
81 . 1 1 17 17 LEU CB C 13 45.468 . . 1 . . . . 17 LEU CB . 25500 1
82 . 1 1 17 17 LEU N N 15 124.741 . . 1 . . . . 17 LEU N . 25500 1
83 . 1 1 18 18 SER H H 1 7.860 . . 1 . . . . 18 SER H . 25500 1
84 . 1 1 18 18 SER C C 13 173.807 . . 1 . . . . 18 SER C . 25500 1
85 . 1 1 18 18 SER CA C 13 58.969 . . 1 . . . . 18 SER CA . 25500 1
86 . 1 1 18 18 SER CB C 13 64.780 . . 1 . . . . 18 SER CB . 25500 1
87 . 1 1 18 18 SER N N 15 117.564 . . 1 . . . . 18 SER N . 25500 1
88 . 1 1 19 19 PHE H H 1 8.675 . . 1 . . . . 19 PHE H . 25500 1
89 . 1 1 19 19 PHE C C 13 173.891 . . 1 . . . . 19 PHE C . 25500 1
90 . 1 1 19 19 PHE CA C 13 56.817 . . 1 . . . . 19 PHE CA . 25500 1
91 . 1 1 19 19 PHE CB C 13 40.678 . . 1 . . . . 19 PHE CB . 25500 1
92 . 1 1 19 19 PHE N N 15 114.662 . . 1 . . . . 19 PHE N . 25500 1
93 . 1 1 21 21 LYS H H 1 9.227 . . 1 . . . . 21 LYS H . 25500 1
94 . 1 1 21 21 LYS C C 13 177.355 . . 1 . . . . 21 LYS C . 25500 1
95 . 1 1 21 21 LYS CA C 13 58.188 . . 1 . . . . 21 LYS CA . 25500 1
96 . 1 1 21 21 LYS CB C 13 33.342 . . 1 . . . . 21 LYS CB . 25500 1
97 . 1 1 21 21 LYS N N 15 120.427 . . 1 . . . . 21 LYS N . 25500 1
98 . 1 1 22 22 THR H H 1 8.810 . . 1 . . . . 22 THR H . 25500 1
99 . 1 1 22 22 THR C C 13 173.460 . . 1 . . . . 22 THR C . 25500 1
100 . 1 1 22 22 THR CA C 13 66.554 . . 1 . . . . 22 THR CA . 25500 1
101 . 1 1 22 22 THR CB C 13 69.409 . . 1 . . . . 22 THR CB . 25500 1
102 . 1 1 22 22 THR N N 15 117.088 . . 1 . . . . 22 THR N . 25500 1
103 . 1 1 23 23 GLN H H 1 8.188 . . 1 . . . . 23 GLN H . 25500 1
104 . 1 1 23 23 GLN C C 13 174.204 . . 1 . . . . 23 GLN C . 25500 1
105 . 1 1 23 23 GLN CA C 13 58.945 . . 1 . . . . 23 GLN CA . 25500 1
106 . 1 1 23 23 GLN CB C 13 30.133 . . 1 . . . . 23 GLN CB . 25500 1
107 . 1 1 23 23 GLN N N 15 120.654 . . 1 . . . . 23 GLN N . 25500 1
108 . 1 1 24 24 ILE H H 1 8.180 . . 1 . . . . 24 ILE H . 25500 1
109 . 1 1 24 24 ILE C C 13 175.776 . . 1 . . . . 24 ILE C . 25500 1
110 . 1 1 24 24 ILE CA C 13 59.741 . . 1 . . . . 24 ILE CA . 25500 1
111 . 1 1 24 24 ILE CB C 13 37.865 . . 1 . . . . 24 ILE CB . 25500 1
112 . 1 1 24 24 ILE N N 15 120.477 . . 1 . . . . 24 ILE N . 25500 1
113 . 1 1 25 25 LEU H H 1 9.087 . . 1 . . . . 25 LEU H . 25500 1
114 . 1 1 25 25 LEU C C 13 175.437 . . 1 . . . . 25 LEU C . 25500 1
115 . 1 1 25 25 LEU CB C 13 44.776 . . 1 . . . . 25 LEU CB . 25500 1
116 . 1 1 25 25 LEU N N 15 127.959 . . 1 . . . . 25 LEU N . 25500 1
117 . 1 1 26 26 LYS H H 1 8.233 . . 1 . . . . 26 LYS H . 25500 1
118 . 1 1 26 26 LYS C C 13 175.916 . . 1 . . . . 26 LYS C . 25500 1
119 . 1 1 26 26 LYS CA C 13 55.350 . . 1 . . . . 26 LYS CA . 25500 1
120 . 1 1 26 26 LYS CB C 13 33.120 . . 1 . . . . 26 LYS CB . 25500 1
121 . 1 1 26 26 LYS N N 15 121.901 . . 1 . . . . 26 LYS N . 25500 1
122 . 1 1 27 27 ILE H H 1 8.555 . . 1 . . . . 27 ILE H . 25500 1
123 . 1 1 27 27 ILE C C 13 175.648 . . 1 . . . . 27 ILE C . 25500 1
124 . 1 1 27 27 ILE CA C 13 59.219 . . 1 . . . . 27 ILE CA . 25500 1
125 . 1 1 27 27 ILE CB C 13 35.686 . . 1 . . . . 27 ILE CB . 25500 1
126 . 1 1 27 27 ILE N N 15 124.677 . . 1 . . . . 27 ILE N . 25500 1
127 . 1 1 28 28 LEU H H 1 9.228 . . 1 . . . . 28 LEU H . 25500 1
128 . 1 1 28 28 LEU C C 13 177.339 . . 1 . . . . 28 LEU C . 25500 1
129 . 1 1 28 28 LEU CA C 13 55.519 . . 1 . . . . 28 LEU CA . 25500 1
130 . 1 1 28 28 LEU CB C 13 42.701 . . 1 . . . . 28 LEU CB . 25500 1
131 . 1 1 28 28 LEU N N 15 128.468 . . 1 . . . . 28 LEU N . 25500 1
132 . 1 1 29 29 ASN H H 1 7.635 . . 1 . . . . 29 ASN H . 25500 1
133 . 1 1 29 29 ASN C C 13 173.562 . . 1 . . . . 29 ASN C . 25500 1
134 . 1 1 29 29 ASN CA C 13 54.146 . . 1 . . . . 29 ASN CA . 25500 1
135 . 1 1 29 29 ASN CB C 13 41.311 . . 1 . . . . 29 ASN CB . 25500 1
136 . 1 1 29 29 ASN N N 15 114.064 . . 1 . . . . 29 ASN N . 25500 1
137 . 1 1 30 30 MET H H 1 8.815 . . 1 . . . . 30 MET H . 25500 1
138 . 1 1 30 30 MET C C 13 174.647 . . 1 . . . . 30 MET C . 25500 1
139 . 1 1 30 30 MET CA C 13 55.161 . . 1 . . . . 30 MET CA . 25500 1
140 . 1 1 30 30 MET CB C 13 33.200 . . 1 . . . . 30 MET CB . 25500 1
141 . 1 1 30 30 MET N N 15 123.433 . . 1 . . . . 30 MET N . 25500 1
142 . 1 1 31 31 GLU H H 1 8.111 . . 1 . . . . 31 GLU H . 25500 1
143 . 1 1 31 31 GLU C C 13 176.754 . . 1 . . . . 31 GLU C . 25500 1
144 . 1 1 31 31 GLU CB C 13 31.225 . . 1 . . . . 31 GLU CB . 25500 1
145 . 1 1 31 31 GLU N N 15 121.336 . . 1 . . . . 31 GLU N . 25500 1
146 . 1 1 32 32 ASP H H 1 8.425 . . 1 . . . . 32 ASP H . 25500 1
147 . 1 1 32 32 ASP C C 13 176.421 . . 1 . . . . 32 ASP C . 25500 1
148 . 1 1 32 32 ASP CA C 13 56.525 . . 1 . . . . 32 ASP CA . 25500 1
149 . 1 1 32 32 ASP CB C 13 41.188 . . 1 . . . . 32 ASP CB . 25500 1
150 . 1 1 32 32 ASP N N 15 121.231 . . 1 . . . . 32 ASP N . 25500 1
151 . 1 1 33 33 ASP H H 1 8.253 . . 1 . . . . 33 ASP H . 25500 1
152 . 1 1 33 33 ASP C C 13 175.457 . . 1 . . . . 33 ASP C . 25500 1
153 . 1 1 33 33 ASP CA C 13 54.142 . . 1 . . . . 33 ASP CA . 25500 1
154 . 1 1 33 33 ASP N N 15 118.988 . . 1 . . . . 33 ASP N . 25500 1
155 . 1 1 34 34 SER H H 1 8.181 . . 1 . . . . 34 SER H . 25500 1
156 . 1 1 34 34 SER C C 13 174.943 . . 1 . . . . 34 SER C . 25500 1
157 . 1 1 34 34 SER CA C 13 59.230 . . 1 . . . . 34 SER CA . 25500 1
158 . 1 1 34 34 SER CB C 13 64.208 . . 1 . . . . 34 SER CB . 25500 1
159 . 1 1 34 34 SER N N 15 115.845 . . 1 . . . . 34 SER N . 25500 1
160 . 1 1 35 35 ASN H H 1 8.916 . . 1 . . . . 35 ASN H . 25500 1
161 . 1 1 35 35 ASN C C 13 174.627 . . 1 . . . . 35 ASN C . 25500 1
162 . 1 1 35 35 ASN CA C 13 54.179 . . 1 . . . . 35 ASN CA . 25500 1
163 . 1 1 35 35 ASN N N 15 119.377 . . 1 . . . . 35 ASN N . 25500 1
164 . 1 1 36 36 TRP H H 1 7.995 . . 1 . . . . 36 TRP H . 25500 1
165 . 1 1 36 36 TRP C C 13 174.973 . . 1 . . . . 36 TRP C . 25500 1
166 . 1 1 36 36 TRP CA C 13 56.053 . . 1 . . . . 36 TRP CA . 25500 1
167 . 1 1 36 36 TRP CB C 13 31.849 . . 1 . . . . 36 TRP CB . 25500 1
168 . 1 1 36 36 TRP N N 15 121.330 . . 1 . . . . 36 TRP N . 25500 1
169 . 1 1 37 37 TYR H H 1 8.970 . . 1 . . . . 37 TYR H . 25500 1
170 . 1 1 37 37 TYR C C 13 175.353 . . 1 . . . . 37 TYR C . 25500 1
171 . 1 1 37 37 TYR CA C 13 52.931 . . 1 . . . . 37 TYR CA . 25500 1
172 . 1 1 37 37 TYR CB C 13 39.784 . . 1 . . . . 37 TYR CB . 25500 1
173 . 1 1 37 37 TYR N N 15 120.595 . . 1 . . . . 37 TYR N . 25500 1
174 . 1 1 38 38 ARG H H 1 8.727 . . 1 . . . . 38 ARG H . 25500 1
175 . 1 1 38 38 ARG CA C 13 56.456 . . 1 . . . . 38 ARG CA . 25500 1
176 . 1 1 38 38 ARG CB C 13 31.579 . . 1 . . . . 38 ARG CB . 25500 1
177 . 1 1 38 38 ARG N N 15 121.299 . . 1 . . . . 38 ARG N . 25500 1
178 . 1 1 40 40 GLU C C 13 174.804 . . 1 . . . . 40 GLU C . 25500 1
179 . 1 1 40 40 GLU CA C 13 54.529 . . 1 . . . . 40 GLU CA . 25500 1
180 . 1 1 40 40 GLU CB C 13 34.197 . . 1 . . . . 40 GLU CB . 25500 1
181 . 1 1 41 41 LEU H H 1 8.923 . . 1 . . . . 41 LEU H . 25500 1
182 . 1 1 41 41 LEU C C 13 175.920 . . 1 . . . . 41 LEU C . 25500 1
183 . 1 1 41 41 LEU CA C 13 54.956 . . 1 . . . . 41 LEU CA . 25500 1
184 . 1 1 41 41 LEU CB C 13 45.970 . . 1 . . . . 41 LEU CB . 25500 1
185 . 1 1 41 41 LEU N N 15 125.829 . . 1 . . . . 41 LEU N . 25500 1
186 . 1 1 42 42 ASP H H 1 9.648 . . 1 . . . . 42 ASP H . 25500 1
187 . 1 1 42 42 ASP C C 13 175.764 . . 1 . . . . 42 ASP C . 25500 1
188 . 1 1 42 42 ASP CA C 13 55.560 . . 1 . . . . 42 ASP CA . 25500 1
189 . 1 1 42 42 ASP CB C 13 39.872 . . 1 . . . . 42 ASP CB . 25500 1
190 . 1 1 42 42 ASP N N 15 129.600 . . 1 . . . . 42 ASP N . 25500 1
191 . 1 1 43 43 GLY H H 1 9.159 . . 1 . . . . 43 GLY H . 25500 1
192 . 1 1 43 43 GLY C C 13 173.827 . . 1 . . . . 43 GLY C . 25500 1
193 . 1 1 43 43 GLY CA C 13 45.586 . . 1 . . . . 43 GLY CA . 25500 1
194 . 1 1 43 43 GLY N N 15 104.728 . . 1 . . . . 43 GLY N . 25500 1
195 . 1 1 44 44 LYS H H 1 7.928 . . 1 . . . . 44 LYS H . 25500 1
196 . 1 1 44 44 LYS C C 13 174.019 . . 1 . . . . 44 LYS C . 25500 1
197 . 1 1 44 44 LYS CA C 13 54.928 . . 1 . . . . 44 LYS CA . 25500 1
198 . 1 1 44 44 LYS CB C 13 34.663 . . 1 . . . . 44 LYS CB . 25500 1
199 . 1 1 44 44 LYS N N 15 122.517 . . 1 . . . . 44 LYS N . 25500 1
200 . 1 1 45 45 GLU H H 1 8.446 . . 1 . . . . 45 GLU H . 25500 1
201 . 1 1 45 45 GLU C C 13 177.013 . . 1 . . . . 45 GLU C . 25500 1
202 . 1 1 45 45 GLU CA C 13 53.851 . . 1 . . . . 45 GLU CA . 25500 1
203 . 1 1 45 45 GLU CB C 13 33.676 . . 1 . . . . 45 GLU CB . 25500 1
204 . 1 1 45 45 GLU N N 15 120.525 . . 1 . . . . 45 GLU N . 25500 1
205 . 1 1 46 46 GLY H H 1 8.853 . . 1 . . . . 46 GLY H . 25500 1
206 . 1 1 46 46 GLY C C 13 170.702 . . 1 . . . . 46 GLY C . 25500 1
207 . 1 1 46 46 GLY CA C 13 45.558 . . 1 . . . . 46 GLY CA . 25500 1
208 . 1 1 46 46 GLY N N 15 107.954 . . 1 . . . . 46 GLY N . 25500 1
209 . 1 1 47 47 LEU H H 1 9.254 . . 1 . . . . 47 LEU H . 25500 1
210 . 1 1 47 47 LEU C C 13 177.635 . . 1 . . . . 47 LEU C . 25500 1
211 . 1 1 47 47 LEU CA C 13 54.870 . . 1 . . . . 47 LEU CA . 25500 1
212 . 1 1 47 47 LEU CB C 13 44.585 . . 1 . . . . 47 LEU CB . 25500 1
213 . 1 1 47 47 LEU N N 15 120.499 . . 1 . . . . 47 LEU N . 25500 1
214 . 1 1 48 48 ILE H H 1 9.396 . . 1 . . . . 48 ILE H . 25500 1
215 . 1 1 48 48 ILE CA C 13 56.819 . . 1 . . . . 48 ILE CA . 25500 1
216 . 1 1 48 48 ILE CB C 13 40.990 . . 1 . . . . 48 ILE CB . 25500 1
217 . 1 1 48 48 ILE N N 15 112.545 . . 1 . . . . 48 ILE N . 25500 1
218 . 1 1 49 49 PRO C C 13 178.857 . . 1 . . . . 49 PRO C . 25500 1
219 . 1 1 49 49 PRO CA C 13 60.814 . . 1 . . . . 49 PRO CA . 25500 1
220 . 1 1 49 49 PRO CB C 13 30.180 . . 1 . . . . 49 PRO CB . 25500 1
221 . 1 1 50 50 SER H H 1 7.861 . . 1 . . . . 50 SER H . 25500 1
222 . 1 1 50 50 SER C C 13 175.154 . . 1 . . . . 50 SER C . 25500 1
223 . 1 1 50 50 SER CA C 13 60.438 . . 1 . . . . 50 SER CA . 25500 1
224 . 1 1 50 50 SER CB C 13 62.477 . . 1 . . . . 50 SER CB . 25500 1
225 . 1 1 50 50 SER N N 15 119.802 . . 1 . . . . 50 SER N . 25500 1
226 . 1 1 51 51 ASN H H 1 8.373 . . 1 . . . . 51 ASN H . 25500 1
227 . 1 1 51 51 ASN C C 13 175.842 . . 1 . . . . 51 ASN C . 25500 1
228 . 1 1 51 51 ASN CA C 13 53.682 . . 1 . . . . 51 ASN CA . 25500 1
229 . 1 1 51 51 ASN CB C 13 36.497 . . 1 . . . . 51 ASN CB . 25500 1
230 . 1 1 51 51 ASN N N 15 115.170 . . 1 . . . . 51 ASN N . 25500 1
231 . 1 1 52 52 TYR H H 1 7.704 . . 1 . . . . 52 TYR H . 25500 1
232 . 1 1 52 52 TYR C C 13 174.829 . . 1 . . . . 52 TYR C . 25500 1
233 . 1 1 52 52 TYR CA C 13 58.180 . . 1 . . . . 52 TYR CA . 25500 1
234 . 1 1 52 52 TYR CB C 13 38.967 . . 1 . . . . 52 TYR CB . 25500 1
235 . 1 1 52 52 TYR N N 15 119.037 . . 1 . . . . 52 TYR N . 25500 1
236 . 1 1 53 53 ILE H H 1 7.222 . . 1 . . . . 53 ILE H . 25500 1
237 . 1 1 53 53 ILE C C 13 173.815 . . 1 . . . . 53 ILE C . 25500 1
238 . 1 1 53 53 ILE CA C 13 58.531 . . 1 . . . . 53 ILE CA . 25500 1
239 . 1 1 53 53 ILE CB C 13 41.972 . . 1 . . . . 53 ILE CB . 25500 1
240 . 1 1 53 53 ILE N N 15 110.765 . . 1 . . . . 53 ILE N . 25500 1
241 . 1 1 54 54 GLU H H 1 8.745 . . 1 . . . . 54 GLU H . 25500 1
242 . 1 1 54 54 GLU C C 13 175.679 . . 1 . . . . 54 GLU C . 25500 1
243 . 1 1 54 54 GLU CA C 13 54.464 . . 1 . . . . 54 GLU CA . 25500 1
244 . 1 1 54 54 GLU CB C 13 32.931 . . 1 . . . . 54 GLU CB . 25500 1
245 . 1 1 54 54 GLU N N 15 120.331 . . 1 . . . . 54 GLU N . 25500 1
246 . 1 1 55 55 MET H H 1 8.986 . . 1 . . . . 55 MET H . 25500 1
247 . 1 1 55 55 MET C C 13 176.515 . . 1 . . . . 55 MET C . 25500 1
248 . 1 1 55 55 MET CA C 13 55.381 . . 1 . . . . 55 MET CA . 25500 1
249 . 1 1 55 55 MET CB C 13 31.743 . . 1 . . . . 55 MET CB . 25500 1
250 . 1 1 55 55 MET N N 15 125.190 . . 1 . . . . 55 MET N . 25500 1
251 . 1 1 56 56 LYS H H 1 8.665 . . 1 . . . . 56 LYS H . 25500 1
252 . 1 1 56 56 LYS CA C 13 56.078 . . 1 . . . . 56 LYS CA . 25500 1
253 . 1 1 56 56 LYS CB C 13 33.154 . . 1 . . . . 56 LYS CB . 25500 1
254 . 1 1 56 56 LYS N N 15 123.924 . . 1 . . . . 56 LYS N . 25500 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_chem_shift_list_drkN_SH3_free_and_bound_unfolded-like_in_the_presence_of_DnaK
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_drkN_SH3_free_and_bound_unfolded-like_in_the_presence_of_DnaK
_Assigned_chem_shift_list.Entry_ID 25500
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition
_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 1' . . . 25500 2
2 '3D CBCA(CO)NH 1' . . . 25500 2
3 '3D HNCACB 1' . . . 25500 2
4 '3D HNCO 1' . . . 25500 2
5 '3D (HCA)CO(CA)NH 1' . . . 25500 2
6 '2D 1H-15N HSQC 2' . . . 25500 2
7 '3D CBCA(CO)NH 2' . . . 25500 2
8 '3D HNCACB 2' . . . 25500 2
9 '3D HNCO 2' . . . 25500 2
10 '3D (HCA)CO(CA)NH 2' . . . 25500 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 1 2 2 GLU C C 13 175.789 . . 1 . . . . 2 GLU C . 25500 2
2 . 2 1 2 2 GLU CA C 13 57.668 . . 1 . . . . 2 GLU CA . 25500 2
3 . 2 1 2 2 GLU CB C 13 30.573 . . 1 . . . . 2 GLU CB . 25500 2
4 . 2 1 3 3 ALA H H 1 8.491 . . 1 . . . . 3 ALA H . 25500 2
5 . 2 1 3 3 ALA C C 13 177.904 . . 1 . . . . 3 ALA C . 25500 2
6 . 2 1 3 3 ALA CA C 13 52.468 . . 1 . . . . 3 ALA CA . 25500 2
7 . 2 1 3 3 ALA CB C 13 19.311 . . 1 . . . . 3 ALA CB . 25500 2
8 . 2 1 3 3 ALA N N 15 125.900 . . 1 . . . . 3 ALA N . 25500 2
9 . 2 1 4 4 ILE H H 1 8.101 . . 1 . . . . 4 ILE H . 25500 2
10 . 2 1 4 4 ILE C C 13 175.876 . . 1 . . . . 4 ILE C . 25500 2
11 . 2 1 4 4 ILE CA C 13 60.876 . . 1 . . . . 4 ILE CA . 25500 2
12 . 2 1 4 4 ILE CB C 13 38.836 . . 1 . . . . 4 ILE CB . 25500 2
13 . 2 1 4 4 ILE N N 15 120.453 . . 1 . . . . 4 ILE N . 25500 2
14 . 2 1 5 5 ALA H H 1 8.349 . . 1 . . . . 5 ALA H . 25500 2
15 . 2 1 5 5 ALA C C 13 177.275 . . 1 . . . . 5 ALA C . 25500 2
16 . 2 1 5 5 ALA CA C 13 52.274 . . 1 . . . . 5 ALA CA . 25500 2
17 . 2 1 5 5 ALA CB C 13 19.276 . . 1 . . . . 5 ALA CB . 25500 2
18 . 2 1 5 5 ALA N N 15 128.497 . . 1 . . . . 5 ALA N . 25500 2
19 . 2 1 6 6 LYS H H 1 8.225 . . 1 . . . . 6 LYS H . 25500 2
20 . 2 1 6 6 LYS CA C 13 56.228 . . 1 . . . . 6 LYS CA . 25500 2
21 . 2 1 6 6 LYS CB C 13 33.262 . . 1 . . . . 6 LYS CB . 25500 2
22 . 2 1 6 6 LYS N N 15 121.020 . . 1 . . . . 6 LYS N . 25500 2
23 . 2 1 7 7 HIS C C 13 174.625 . . 1 . . . . 7 HIS C . 25500 2
24 . 2 1 7 7 HIS CA C 13 55.943 . . 1 . . . . 7 HIS CA . 25500 2
25 . 2 1 7 7 HIS CB C 13 30.358 . . 1 . . . . 7 HIS CB . 25500 2
26 . 2 1 8 8 ASP H H 1 8.214 . . 1 . . . . 8 ASP H . 25500 2
27 . 2 1 8 8 ASP C C 13 175.908 . . 1 . . . . 8 ASP C . 25500 2
28 . 2 1 8 8 ASP CA C 13 53.988 . . 1 . . . . 8 ASP CA . 25500 2
29 . 2 1 8 8 ASP CB C 13 41.183 . . 1 . . . . 8 ASP CB . 25500 2
30 . 2 1 8 8 ASP N N 15 121.408 . . 1 . . . . 8 ASP N . 25500 2
31 . 2 1 9 9 PHE H H 1 8.275 . . 1 . . . . 9 PHE H . 25500 2
32 . 2 1 9 9 PHE C C 13 175.864 . . 1 . . . . 9 PHE C . 25500 2
33 . 2 1 9 9 PHE CA C 13 58.025 . . 1 . . . . 9 PHE CA . 25500 2
34 . 2 1 9 9 PHE CB C 13 39.419 . . 1 . . . . 9 PHE CB . 25500 2
35 . 2 1 9 9 PHE N N 15 121.284 . . 1 . . . . 9 PHE N . 25500 2
36 . 2 1 10 10 SER H H 1 8.246 . . 1 . . . . 10 SER H . 25500 2
37 . 2 1 10 10 SER C C 13 174.155 . . 1 . . . . 10 SER C . 25500 2
38 . 2 1 10 10 SER CA C 13 58.518 . . 1 . . . . 10 SER CA . 25500 2
39 . 2 1 10 10 SER CB C 13 63.849 . . 1 . . . . 10 SER CB . 25500 2
40 . 2 1 10 10 SER N N 15 117.388 . . 1 . . . . 10 SER N . 25500 2
41 . 2 1 11 11 ALA H H 1 8.241 . . 1 . . . . 11 ALA H . 25500 2
42 . 2 1 11 11 ALA C C 13 177.863 . . 1 . . . . 11 ALA C . 25500 2
43 . 2 1 11 11 ALA CA C 13 52.731 . . 1 . . . . 11 ALA CA . 25500 2
44 . 2 1 11 11 ALA CB C 13 19.462 . . 1 . . . . 11 ALA CB . 25500 2
45 . 2 1 11 11 ALA N N 15 126.132 . . 1 . . . . 11 ALA N . 25500 2
46 . 2 1 12 12 THR H H 1 8.105 . . 1 . . . . 12 THR H . 25500 2
47 . 2 1 12 12 THR C C 13 174.497 . . 1 . . . . 12 THR C . 25500 2
48 . 2 1 12 12 THR CA C 13 61.690 . . 1 . . . . 12 THR CA . 25500 2
49 . 2 1 12 12 THR CB C 13 69.904 . . 1 . . . . 12 THR CB . 25500 2
50 . 2 1 12 12 THR N N 15 112.824 . . 1 . . . . 12 THR N . 25500 2
51 . 2 1 13 13 ALA H H 1 8.298 . . 1 . . . . 13 ALA H . 25500 2
52 . 2 1 13 13 ALA C C 13 177.716 . . 1 . . . . 13 ALA C . 25500 2
53 . 2 1 13 13 ALA CA C 13 52.862 . . 1 . . . . 13 ALA CA . 25500 2
54 . 2 1 13 13 ALA CB C 13 19.427 . . 1 . . . . 13 ALA CB . 25500 2
55 . 2 1 13 13 ALA N N 15 126.168 . . 1 . . . . 13 ALA N . 25500 2
56 . 2 1 14 14 ASP H H 1 8.263 . . 1 . . . . 14 ASP H . 25500 2
57 . 2 1 14 14 ASP C C 13 176.477 . . 1 . . . . 14 ASP C . 25500 2
58 . 2 1 14 14 ASP CA C 13 54.868 . . 1 . . . . 14 ASP CA . 25500 2
59 . 2 1 14 14 ASP CB C 13 41.127 . . 1 . . . . 14 ASP CB . 25500 2
60 . 2 1 14 14 ASP N N 15 119.490 . . 1 . . . . 14 ASP N . 25500 2
61 . 2 1 15 15 ASP H H 1 8.217 . . 1 . . . . 15 ASP H . 25500 2
62 . 2 1 15 15 ASP C C 13 176.928 . . 1 . . . . 15 ASP C . 25500 2
63 . 2 1 15 15 ASP CA C 13 54.856 . . 1 . . . . 15 ASP CA . 25500 2
64 . 2 1 15 15 ASP CB C 13 41.118 . . 1 . . . . 15 ASP CB . 25500 2
65 . 2 1 15 15 ASP N N 15 120.540 . . 1 . . . . 15 ASP N . 25500 2
66 . 2 1 16 16 GLU H H 1 8.337 . . 1 . . . . 16 GLU H . 25500 2
67 . 2 1 16 16 GLU C C 13 177.019 . . 1 . . . . 16 GLU C . 25500 2
68 . 2 1 16 16 GLU CA C 13 57.785 . . 1 . . . . 16 GLU CA . 25500 2
69 . 2 1 16 16 GLU CB C 13 29.876 . . 1 . . . . 16 GLU CB . 25500 2
70 . 2 1 16 16 GLU N N 15 121.000 . . 1 . . . . 16 GLU N . 25500 2
71 . 2 1 17 17 LEU H H 1 8.128 . . 1 . . . . 17 LEU H . 25500 2
72 . 2 1 17 17 LEU C C 13 178.382 . . 1 . . . . 17 LEU C . 25500 2
73 . 2 1 17 17 LEU CA C 13 56.385 . . 1 . . . . 17 LEU CA . 25500 2
74 . 2 1 17 17 LEU CB C 13 41.705 . . 1 . . . . 17 LEU CB . 25500 2
75 . 2 1 17 17 LEU N N 15 120.777 . . 1 . . . . 17 LEU N . 25500 2
76 . 2 1 18 18 SER H H 1 8.097 . . 1 . . . . 18 SER H . 25500 2
77 . 2 1 18 18 SER C C 13 175.354 . . 1 . . . . 18 SER C . 25500 2
78 . 2 1 18 18 SER CA C 13 59.860 . . 1 . . . . 18 SER CA . 25500 2
79 . 2 1 18 18 SER CB C 13 63.346 . . 1 . . . . 18 SER CB . 25500 2
80 . 2 1 18 18 SER N N 15 115.208 . . 1 . . . . 18 SER N . 25500 2
81 . 2 1 19 19 PHE H H 1 8.069 . . 1 . . . . 19 PHE H . 25500 2
82 . 2 1 19 19 PHE C C 13 176.498 . . 1 . . . . 19 PHE C . 25500 2
83 . 2 1 19 19 PHE CB C 13 38.854 . . 1 . . . . 19 PHE CB . 25500 2
84 . 2 1 19 19 PHE N N 15 121.585 . . 1 . . . . 19 PHE N . 25500 2
85 . 2 1 21 21 LYS C C 13 177.303 . . 1 . . . . 21 LYS C . 25500 2
86 . 2 1 21 21 LYS CA C 13 57.581 . . 1 . . . . 21 LYS CA . 25500 2
87 . 2 1 21 21 LYS CB C 13 32.818 . . 1 . . . . 21 LYS CB . 25500 2
88 . 2 1 22 22 THR H H 1 7.996 . . 1 . . . . 22 THR H . 25500 2
89 . 2 1 22 22 THR C C 13 174.924 . . 1 . . . . 22 THR C . 25500 2
90 . 2 1 22 22 THR CA C 13 63.159 . . 1 . . . . 22 THR CA . 25500 2
91 . 2 1 22 22 THR CB C 13 69.483 . . 1 . . . . 22 THR CB . 25500 2
92 . 2 1 22 22 THR N N 15 113.998 . . 1 . . . . 22 THR N . 25500 2
93 . 2 1 23 23 GLN H H 1 8.158 . . 1 . . . . 23 GLN H . 25500 2
94 . 2 1 23 23 GLN C C 13 176.246 . . 1 . . . . 23 GLN C . 25500 2
95 . 2 1 23 23 GLN CA C 13 56.461 . . 1 . . . . 23 GLN CA . 25500 2
96 . 2 1 23 23 GLN N N 15 122.057 . . 1 . . . . 23 GLN N . 25500 2
97 . 2 1 24 24 ILE H H 1 8.036 . . 1 . . . . 24 ILE H . 25500 2
98 . 2 1 24 24 ILE C C 13 176.337 . . 1 . . . . 24 ILE C . 25500 2
99 . 2 1 24 24 ILE CA C 13 61.712 . . 1 . . . . 24 ILE CA . 25500 2
100 . 2 1 24 24 ILE N N 15 121.535 . . 1 . . . . 24 ILE N . 25500 2
101 . 2 1 25 25 LEU H H 1 8.134 . . 1 . . . . 25 LEU H . 25500 2
102 . 2 1 25 25 LEU CA C 13 55.852 . . 1 . . . . 25 LEU CA . 25500 2
103 . 2 1 25 25 LEU N N 15 124.784 . . 1 . . . . 25 LEU N . 25500 2
104 . 2 1 26 26 LYS C C 13 176.606 . . 1 . . . . 26 LYS C . 25500 2
105 . 2 1 26 26 LYS CA C 13 55.125 . . 1 . . . . 26 LYS CA . 25500 2
106 . 2 1 26 26 LYS CB C 13 32.853 . . 1 . . . . 26 LYS CB . 25500 2
107 . 2 1 27 27 ILE H H 1 8.011 . . 1 . . . . 27 ILE H . 25500 2
108 . 2 1 27 27 ILE C C 13 176.395 . . 1 . . . . 27 ILE C . 25500 2
109 . 2 1 27 27 ILE CA C 13 61.509 . . 1 . . . . 27 ILE CA . 25500 2
110 . 2 1 27 27 ILE CB C 13 38.958 . . 1 . . . . 27 ILE CB . 25500 2
111 . 2 1 27 27 ILE N N 15 121.708 . . 1 . . . . 27 ILE N . 25500 2
112 . 2 1 28 28 LEU H H 1 8.242 . . 1 . . . . 28 LEU H . 25500 2
113 . 2 1 28 28 LEU C C 13 176.845 . . 1 . . . . 28 LEU C . 25500 2
114 . 2 1 28 28 LEU CA C 13 55.348 . . 1 . . . . 28 LEU CA . 25500 2
115 . 2 1 28 28 LEU CB C 13 42.411 . . 1 . . . . 28 LEU CB . 25500 2
116 . 2 1 28 28 LEU N N 15 125.003 . . 1 . . . . 28 LEU N . 25500 2
117 . 2 1 29 29 ASN H H 1 8.353 . . 1 . . . . 29 ASN H . 25500 2
118 . 2 1 29 29 ASN C C 13 175.174 . . 1 . . . . 29 ASN C . 25500 2
119 . 2 1 29 29 ASN CA C 13 53.941 . . 1 . . . . 29 ASN CA . 25500 2
120 . 2 1 29 29 ASN CB C 13 38.775 . . 1 . . . . 29 ASN CB . 25500 2
121 . 2 1 29 29 ASN N N 15 118.919 . . 1 . . . . 29 ASN N . 25500 2
122 . 2 1 30 30 MET H H 1 8.319 . . 1 . . . . 30 MET H . 25500 2
123 . 2 1 30 30 MET C C 13 176.341 . . 1 . . . . 30 MET C . 25500 2
124 . 2 1 30 30 MET CA C 13 55.880 . . 1 . . . . 30 MET CA . 25500 2
125 . 2 1 30 30 MET CB C 13 32.649 . . 1 . . . . 30 MET CB . 25500 2
126 . 2 1 30 30 MET N N 15 120.785 . . 1 . . . . 30 MET N . 25500 2
127 . 2 1 31 31 GLU H H 1 8.413 . . 1 . . . . 31 GLU H . 25500 2
128 . 2 1 31 31 GLU CA C 13 56.734 . . 1 . . . . 31 GLU CA . 25500 2
129 . 2 1 31 31 GLU CB C 13 30.217 . . 1 . . . . 31 GLU CB . 25500 2
130 . 2 1 31 31 GLU N N 15 120.789 . . 1 . . . . 31 GLU N . 25500 2
131 . 2 1 33 33 ASP C C 13 176.871 . . 1 . . . . 33 ASP C . 25500 2
132 . 2 1 33 33 ASP CA C 13 54.395 . . 1 . . . . 33 ASP CA . 25500 2
133 . 2 1 33 33 ASP CB C 13 41.107 . . 1 . . . . 33 ASP CB . 25500 2
134 . 2 1 34 34 SER H H 1 8.344 . . 1 . . . . 34 SER H . 25500 2
135 . 2 1 34 34 SER C C 13 174.941 . . 1 . . . . 34 SER C . 25500 2
136 . 2 1 34 34 SER CA C 13 59.640 . . 1 . . . . 34 SER CA . 25500 2
137 . 2 1 34 34 SER CB C 13 63.551 . . 1 . . . . 34 SER CB . 25500 2
138 . 2 1 34 34 SER N N 15 116.341 . . 1 . . . . 34 SER N . 25500 2
139 . 2 1 35 35 ASN H H 1 8.362 . . 1 . . . . 35 ASN H . 25500 2
140 . 2 1 35 35 ASN C C 13 175.368 . . 1 . . . . 35 ASN C . 25500 2
141 . 2 1 35 35 ASN CA C 13 53.794 . . 1 . . . . 35 ASN CA . 25500 2
142 . 2 1 35 35 ASN CB C 13 38.788 . . 1 . . . . 35 ASN CB . 25500 2
143 . 2 1 35 35 ASN N N 15 119.879 . . 1 . . . . 35 ASN N . 25500 2
144 . 2 1 36 36 TRP H H 1 7.867 . . 1 . . . . 36 TRP H . 25500 2
145 . 2 1 36 36 TRP C C 13 176.055 . . 1 . . . . 36 TRP C . 25500 2
146 . 2 1 36 36 TRP CA C 13 57.739 . . 1 . . . . 36 TRP CA . 25500 2
147 . 2 1 36 36 TRP CB C 13 29.463 . . 1 . . . . 36 TRP CB . 25500 2
148 . 2 1 36 36 TRP N N 15 120.693 . . 1 . . . . 36 TRP N . 25500 2
149 . 2 1 37 37 TYR H H 1 7.759 . . 1 . . . . 37 TYR H . 25500 2
150 . 2 1 37 37 TYR C C 13 175.484 . . 1 . . . . 37 TYR C . 25500 2
151 . 2 1 37 37 TYR CA C 13 58.437 . . 1 . . . . 37 TYR CA . 25500 2
152 . 2 1 37 37 TYR CB C 13 38.158 . . 1 . . . . 37 TYR CB . 25500 2
153 . 2 1 37 37 TYR N N 15 120.779 . . 1 . . . . 37 TYR N . 25500 2
154 . 2 1 38 38 ARG H H 1 7.763 . . 1 . . . . 38 ARG H . 25500 2
155 . 2 1 38 38 ARG C C 13 175.705 . . 1 . . . . 38 ARG C . 25500 2
156 . 2 1 38 38 ARG CA C 13 55.916 . . 1 . . . . 38 ARG CA . 25500 2
157 . 2 1 38 38 ARG CB C 13 30.782 . . 1 . . . . 38 ARG CB . 25500 2
158 . 2 1 38 38 ARG N N 15 122.858 . . 1 . . . . 38 ARG N . 25500 2
159 . 2 1 39 39 ALA H H 1 8.131 . . 1 . . . . 39 ALA H . 25500 2
160 . 2 1 39 39 ALA C C 13 178.068 . . 1 . . . . 39 ALA C . 25500 2
161 . 2 1 39 39 ALA CA C 13 53.280 . . 1 . . . . 39 ALA CA . 25500 2
162 . 2 1 39 39 ALA CB C 13 19.219 . . 1 . . . . 39 ALA CB . 25500 2
163 . 2 1 39 39 ALA N N 15 125.059 . . 1 . . . . 39 ALA N . 25500 2
164 . 2 1 40 40 GLU H H 1 8.414 . . 1 . . . . 40 GLU H . 25500 2
165 . 2 1 40 40 GLU C C 13 176.805 . . 1 . . . . 40 GLU C . 25500 2
166 . 2 1 40 40 GLU CA C 13 56.908 . . 1 . . . . 40 GLU CA . 25500 2
167 . 2 1 40 40 GLU CB C 13 29.948 . . 1 . . . . 40 GLU CB . 25500 2
168 . 2 1 40 40 GLU N N 15 119.282 . . 1 . . . . 40 GLU N . 25500 2
169 . 2 1 41 41 LEU H H 1 8.082 . . 1 . . . . 41 LEU H . 25500 2
170 . 2 1 41 41 LEU CA C 13 55.383 . . 1 . . . . 41 LEU CA . 25500 2
171 . 2 1 41 41 LEU CB C 13 42.286 . . 1 . . . . 41 LEU CB . 25500 2
172 . 2 1 41 41 LEU N N 15 121.974 . . 1 . . . . 41 LEU N . 25500 2
173 . 2 1 42 42 ASP C C 13 176.962 . . 1 . . . . 42 ASP C . 25500 2
174 . 2 1 42 42 ASP CA C 13 54.656 . . 1 . . . . 42 ASP CA . 25500 2
175 . 2 1 42 42 ASP CB C 13 41.297 . . 1 . . . . 42 ASP CB . 25500 2
176 . 2 1 43 43 GLY H H 1 8.347 . . 1 . . . . 43 GLY H . 25500 2
177 . 2 1 43 43 GLY C C 13 174.700 . . 1 . . . . 43 GLY C . 25500 2
178 . 2 1 43 43 GLY CA C 13 45.771 . . 1 . . . . 43 GLY CA . 25500 2
179 . 2 1 43 43 GLY N N 15 109.332 . . 1 . . . . 43 GLY N . 25500 2
180 . 2 1 44 44 LYS H H 1 8.135 . . 1 . . . . 44 LYS H . 25500 2
181 . 2 1 44 44 LYS C C 13 176.819 . . 1 . . . . 44 LYS C . 25500 2
182 . 2 1 44 44 LYS CA C 13 56.469 . . 1 . . . . 44 LYS CA . 25500 2
183 . 2 1 44 44 LYS CB C 13 32.919 . . 1 . . . . 44 LYS CB . 25500 2
184 . 2 1 44 44 LYS N N 15 120.462 . . 1 . . . . 44 LYS N . 25500 2
185 . 2 1 45 45 GLU H H 1 8.532 . . 1 . . . . 45 GLU H . 25500 2
186 . 2 1 45 45 GLU C C 13 176.962 . . 1 . . . . 45 GLU C . 25500 2
187 . 2 1 45 45 GLU CA C 13 57.157 . . 1 . . . . 45 GLU CA . 25500 2
188 . 2 1 45 45 GLU CB C 13 30.040 . . 1 . . . . 45 GLU CB . 25500 2
189 . 2 1 45 45 GLU N N 15 121.234 . . 1 . . . . 45 GLU N . 25500 2
190 . 2 1 46 46 GLY H H 1 8.375 . . 1 . . . . 46 GLY H . 25500 2
191 . 2 1 46 46 GLY C C 13 173.856 . . 1 . . . . 46 GLY C . 25500 2
192 . 2 1 46 46 GLY CA C 13 45.343 . . 1 . . . . 46 GLY CA . 25500 2
193 . 2 1 46 46 GLY N N 15 109.426 . . 1 . . . . 46 GLY N . 25500 2
194 . 2 1 47 47 LEU H H 1 7.977 . . 1 . . . . 47 LEU H . 25500 2
195 . 2 1 47 47 LEU C C 13 177.041 . . 1 . . . . 47 LEU C . 25500 2
196 . 2 1 47 47 LEU CA C 13 55.082 . . 1 . . . . 47 LEU CA . 25500 2
197 . 2 1 47 47 LEU CB C 13 42.438 . . 1 . . . . 47 LEU CB . 25500 2
198 . 2 1 47 47 LEU N N 15 121.348 . . 1 . . . . 47 LEU N . 25500 2
199 . 2 1 48 48 ILE H H 1 8.160 . . 1 . . . . 48 ILE H . 25500 2
200 . 2 1 48 48 ILE CA C 13 58.450 . . 1 . . . . 48 ILE CA . 25500 2
201 . 2 1 48 48 ILE CB C 13 38.634 . . 1 . . . . 48 ILE CB . 25500 2
202 . 2 1 48 48 ILE N N 15 123.355 . . 1 . . . . 48 ILE N . 25500 2
203 . 2 1 49 49 PRO C C 13 177.069 . . 1 . . . . 49 PRO C . 25500 2
204 . 2 1 49 49 PRO CA C 13 63.274 . . 1 . . . . 49 PRO CA . 25500 2
205 . 2 1 49 49 PRO CB C 13 32.215 . . 1 . . . . 49 PRO CB . 25500 2
206 . 2 1 50 50 SER H H 1 8.417 . . 1 . . . . 50 SER H . 25500 2
207 . 2 1 50 50 SER C C 13 176.070 . . 1 . . . . 50 SER C . 25500 2
208 . 2 1 50 50 SER CA C 13 59.165 . . 1 . . . . 50 SER CA . 25500 2
209 . 2 1 50 50 SER CB C 13 63.365 . . 1 . . . . 50 SER CB . 25500 2
210 . 2 1 50 50 SER N N 15 115.893 . . 1 . . . . 50 SER N . 25500 2
211 . 2 1 51 51 ASN H H 1 8.399 . . 1 . . . . 51 ASN H . 25500 2
212 . 2 1 51 51 ASN C C 13 174.771 . . 1 . . . . 51 ASN C . 25500 2
213 . 2 1 51 51 ASN CA C 13 53.161 . . 1 . . . . 51 ASN CA . 25500 2
214 . 2 1 51 51 ASN CB C 13 38.629 . . 1 . . . . 51 ASN CB . 25500 2
215 . 2 1 51 51 ASN N N 15 119.702 . . 1 . . . . 51 ASN N . 25500 2
216 . 2 1 52 52 TYR H H 1 8.031 . . 1 . . . . 52 TYR H . 25500 2
217 . 2 1 52 52 TYR C C 13 175.454 . . 1 . . . . 52 TYR C . 25500 2
218 . 2 1 52 52 TYR CA C 13 58.506 . . 1 . . . . 52 TYR CA . 25500 2
219 . 2 1 52 52 TYR CB C 13 38.730 . . 1 . . . . 52 TYR CB . 25500 2
220 . 2 1 52 52 TYR N N 15 120.601 . . 1 . . . . 52 TYR N . 25500 2
221 . 2 1 53 53 ILE H H 1 7.827 . . 1 . . . . 53 ILE H . 25500 2
222 . 2 1 53 53 ILE C C 13 175.546 . . 1 . . . . 53 ILE C . 25500 2
223 . 2 1 53 53 ILE CA C 13 60.899 . . 1 . . . . 53 ILE CA . 25500 2
224 . 2 1 53 53 ILE N N 15 123.317 . . 1 . . . . 53 ILE N . 25500 2
225 . 2 1 54 54 GLU H H 1 8.272 . . 1 . . . . 54 GLU H . 25500 2
226 . 2 1 54 54 GLU C C 13 176.295 . . 1 . . . . 54 GLU C . 25500 2
227 . 2 1 54 54 GLU CA C 13 56.561 . . 1 . . . . 54 GLU CA . 25500 2
228 . 2 1 54 54 GLU CB C 13 30.389 . . 1 . . . . 54 GLU CB . 25500 2
229 . 2 1 54 54 GLU N N 15 124.622 . . 1 . . . . 54 GLU N . 25500 2
230 . 2 1 55 55 MET H H 1 8.318 . . 1 . . . . 55 MET H . 25500 2
231 . 2 1 55 55 MET CA C 13 55.758 . . 1 . . . . 55 MET CA . 25500 2
232 . 2 1 55 55 MET CB C 13 32.724 . . 1 . . . . 55 MET CB . 25500 2
233 . 2 1 55 55 MET N N 15 122.526 . . 1 . . . . 55 MET N . 25500 2
234 . 2 1 56 56 LYS H H 1 8.300 . . 1 . . . . 56 LYS H . 25500 2
235 . 2 1 56 56 LYS CA C 13 56.253 . . 1 . . . . 56 LYS CA . 25500 2
236 . 2 1 56 56 LYS CB C 13 33.044 . . 1 . . . . 56 LYS CB . 25500 2
237 . 2 1 56 56 LYS N N 15 122.558 . . 1 . . . . 56 LYS N . 25500 2
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_chem_shift_list_drkN_SH3_bound_new_resonances_in_the_presence_of_DnaK
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_drkN_SH3_bound_new_resonances_in_the_presence_of_DnaK
_Assigned_chem_shift_list.Entry_ID 25500
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition
_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 1' . . . 25500 3
2 '3D CBCA(CO)NH 1' . . . 25500 3
3 '3D HNCACB 1' . . . 25500 3
4 '3D HNCO 1' . . . 25500 3
5 '3D (HCA)CO(CA)NH 1' . . . 25500 3
6 '2D 1H-15N HSQC 2' . . . 25500 3
7 '3D CBCA(CO)NH 2' . . . 25500 3
8 '3D HNCACB 2' . . . 25500 3
9 '3D HNCO 2' . . . 25500 3
10 '3D (HCA)CO(CA)NH 2' . . . 25500 3
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 12 12 THR H H 1 8.109 . . 1 . . . . 12 THR H . 25500 3
2 . 1 1 12 12 THR N N 15 112.954 . . 1 . . . . 12 THR N . 25500 3
3 . 1 1 12 12 THR H H 1 8.129 . . 1 . . . . 12 THR H . 25500 3
4 . 1 1 12 12 THR N N 15 113.217 . . 1 . . . . 12 THR N . 25500 3
5 . 1 1 12 12 THR H H 1 8.130 . . 1 . . . . 12 THR H . 25500 3
6 . 1 1 12 12 THR N N 15 113.381 . . 1 . . . . 12 THR N . 25500 3
7 . 1 1 13 13 ALA H H 1 8.334 . . 1 . . . . 13 ALA H . 25500 3
8 . 1 1 13 13 ALA N N 15 126.414 . . 1 . . . . 13 ALA N . 25500 3
9 . 1 1 13 13 ALA H H 1 8.246 . . 1 . . . . 13 ALA H . 25500 3
10 . 1 1 13 13 ALA N N 15 126.394 . . 1 . . . . 13 ALA N . 25500 3
11 . 1 1 13 13 ALA H H 1 8.294 . . 1 . . . . 13 ALA H . 25500 3
12 . 1 1 13 13 ALA N N 15 126.393 . . 1 . . . . 13 ALA N . 25500 3
13 . 1 1 18 18 SER H H 1 8.050 . . 1 . . . . 18 SER H . 25500 3
14 . 1 1 18 18 SER CA C 13 59.750 . . 1 . . . . 18 SER CA . 25500 3
15 . 1 1 18 18 SER N N 15 115.176 . . 1 . . . . 18 SER N . 25500 3
16 . 1 1 28 28 LEU H H 1 8.229 . . 1 . . . . 28 LEU H . 25500 3
17 . 1 1 28 28 LEU N N 15 124.774 . . 1 . . . . 28 LEU N . 25500 3
18 . 1 1 34 34 SER H H 1 8.308 . . 1 . . . . 34 SER H . 25500 3
19 . 1 1 34 34 SER N N 15 116.222 . . 1 . . . . 34 SER N . 25500 3
20 . 1 1 36 36 TRP H H 1 7.852 . . 1 . . . . 36 TRP H . 25500 3
21 . 1 1 36 36 TRP N N 15 120.828 . . 1 . . . . 36 TRP N . 25500 3
22 . 1 1 37 37 TYR H H 1 7.710 . . 1 . . . . 37 TYR H . 25500 3
23 . 1 1 37 37 TYR CA C 13 58.170 . . 1 . . . . 37 TYR CA . 25500 3
24 . 1 1 37 37 TYR N N 15 120.547 . . 1 . . . . 37 TYR N . 25500 3
25 . 1 1 38 38 ARG H H 1 7.737 . . 1 . . . . 38 ARG H . 25500 3
26 . 1 1 38 38 ARG CA C 13 58.310 . . 1 . . . . 38 ARG CA . 25500 3
27 . 1 1 38 38 ARG N N 15 122.726 . . 1 . . . . 38 ARG N . 25500 3
28 . 1 1 38 38 ARG H H 1 7.747 . . 1 . . . . 38 ARG H . 25500 3
29 . 1 1 38 38 ARG N N 15 123.005 . . 1 . . . . 38 ARG N . 25500 3
30 . 1 1 39 39 ALA H H 1 8.138 . . 1 . . . . 39 ALA H . 25500 3
31 . 1 1 39 39 ALA N N 15 125.260 . . 1 . . . . 39 ALA N . 25500 3
32 . 1 1 40 40 GLU H H 1 8.419 . . 1 . . . . 40 GLU H . 25500 3
33 . 1 1 40 40 GLU N N 15 119.465 . . 1 . . . . 40 GLU N . 25500 3
34 . 1 1 41 41 LEU H H 1 8.106 . . 1 . . . . 41 LEU H . 25500 3
35 . 1 1 41 41 LEU N N 15 122.169 . . 1 . . . . 41 LEU N . 25500 3
36 . 1 1 48 48 ILE H H 1 8.169 . . 1 . . . . 48 ILE H . 25500 3
37 . 1 1 48 48 ILE N N 15 123.514 . . 1 . . . . 48 ILE N . 25500 3
38 . 1 1 53 53 ILE H H 1 7.835 . . 1 . . . . 53 ILE H . 25500 3
39 . 1 1 53 53 ILE N N 15 123.480 . . 1 . . . . 53 ILE N . 25500 3
40 . 1 1 54 54 GLU H H 1 8.204 . . 1 . . . . 54 GLU H . 25500 3
41 . 1 1 54 54 GLU N N 15 124.490 . . 1 . . . . 54 GLU N . 25500 3
42 . 1 1 54 54 GLU H H 1 8.227 . . 1 . . . . 54 GLU H . 25500 3
43 . 1 1 54 54 GLU N N 15 124.618 . . 1 . . . . 54 GLU N . 25500 3
stop_
save_