###################################
# 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_wt_AcpP_0.0eqFabB_CS
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode wt_AcpP_0.0eqFabB_CS
_Assigned_chem_shift_list.Entry_ID 27872
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 27872 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
2 $SPARKY . . 27872 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.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 4 4 ILE H H 1 8.514 . . . . . . . . 3 I H . 27872 1
2 . 1 1 4 4 ILE N N 15 122.040 . . . . . . . . 3 I N . 27872 1
3 . 1 1 5 5 GLU H H 1 8.474 . . . . . . . . 4 E H . 27872 1
4 . 1 1 5 5 GLU N N 15 119.145 . . . . . . . . 4 E N . 27872 1
5 . 1 1 6 6 GLU H H 1 7.714 . . . . . . . . 5 E H . 27872 1
6 . 1 1 6 6 GLU N N 15 118.017 . . . . . . . . 5 E N . 27872 1
7 . 1 1 7 7 ARG H H 1 8.213 . . . . . . . . 6 R H . 27872 1
8 . 1 1 7 7 ARG N N 15 120.465 . . . . . . . . 6 R N . 27872 1
9 . 1 1 8 8 VAL H H 1 8.783 . . . . . . . . 7 V H . 27872 1
10 . 1 1 8 8 VAL N N 15 119.646 . . . . . . . . 7 V N . 27872 1
11 . 1 1 9 9 LYS H H 1 8.089 . . . . . . . . 8 K H . 27872 1
12 . 1 1 9 9 LYS N N 15 117.579 . . . . . . . . 8 K N . 27872 1
13 . 1 1 10 10 LYS H H 1 8.136 . . . . . . . . 9 K H . 27872 1
14 . 1 1 10 10 LYS N N 15 121.044 . . . . . . . . 9 K N . 27872 1
15 . 1 1 11 11 ILE H H 1 7.477 . . . . . . . . 10 I H . 27872 1
16 . 1 1 11 11 ILE N N 15 119.911 . . . . . . . . 10 I N . 27872 1
17 . 1 1 12 12 ILE H H 1 8.174 . . . . . . . . 11 I H . 27872 1
18 . 1 1 12 12 ILE N N 15 119.418 . . . . . . . . 11 I N . 27872 1
19 . 1 1 13 13 GLY H H 1 8.321 . . . . . . . . 12 G H . 27872 1
20 . 1 1 13 13 GLY N N 15 105.763 . . . . . . . . 12 G N . 27872 1
21 . 1 1 14 14 GLU H H 1 8.062 . . . . . . . . 13 E H . 27872 1
22 . 1 1 14 14 GLU N N 15 120.691 . . . . . . . . 13 E N . 27872 1
23 . 1 1 15 15 GLN H H 1 8.281 . . . . . . . . 14 Q H . 27872 1
24 . 1 1 15 15 GLN N N 15 117.943 . . . . . . . . 14 Q N . 27872 1
25 . 1 1 16 16 LEU H H 1 7.954 . . . . . . . . 15 L H . 27872 1
26 . 1 1 16 16 LEU N N 15 113.961 . . . . . . . . 15 L N . 27872 1
27 . 1 1 17 17 GLY H H 1 7.667 . . . . . . . . 16 G H . 27872 1
28 . 1 1 17 17 GLY N N 15 110.425 . . . . . . . . 16 G N . 27872 1
29 . 1 1 18 18 VAL H H 1 7.742 . . . . . . . . 17 V H . 27872 1
30 . 1 1 18 18 VAL N N 15 115.112 . . . . . . . . 17 V N . 27872 1
31 . 1 1 19 19 LYS H H 1 8.407 . . . . . . . . 18 K H . 27872 1
32 . 1 1 19 19 LYS N N 15 123.483 . . . . . . . . 18 K N . 27872 1
33 . 1 1 20 20 GLN H H 1 8.653 . . . . . . . . 19 Q H . 27872 1
34 . 1 1 20 20 GLN N N 15 123.285 . . . . . . . . 19 Q N . 27872 1
35 . 1 1 21 21 GLU H H 1 9.263 . . . . . . . . 20 E H . 27872 1
36 . 1 1 21 21 GLU N N 15 117.079 . . . . . . . . 20 E N . 27872 1
37 . 1 1 22 22 GLU H H 1 7.737 . . . . . . . . 21 E H . 27872 1
38 . 1 1 22 22 GLU N N 15 117.469 . . . . . . . . 21 E N . 27872 1
39 . 1 1 23 23 VAL H H 1 7.394 . . . . . . . . 22 V H . 27872 1
40 . 1 1 23 23 VAL N N 15 122.947 . . . . . . . . 22 V N . 27872 1
41 . 1 1 24 24 THR H H 1 7.189 . . . . . . . . 23 T H . 27872 1
42 . 1 1 24 24 THR N N 15 116.077 . . . . . . . . 23 T N . 27872 1
43 . 1 1 25 25 ASN H H 1 8.447 . . . . . . . . 24 N H . 27872 1
44 . 1 1 25 25 ASN N N 15 119.276 . . . . . . . . 24 N N . 27872 1
45 . 1 1 26 26 ASN H H 1 7.965 . . . . . . . . 25 N H . 27872 1
46 . 1 1 26 26 ASN N N 15 112.470 . . . . . . . . 25 N N . 27872 1
47 . 1 1 27 27 ALA H H 1 7.167 . . . . . . . . 26 A H . 27872 1
48 . 1 1 27 27 ALA N N 15 123.421 . . . . . . . . 26 A N . 27872 1
49 . 1 1 28 28 SER H H 1 9.805 . . . . . . . . 27 S H . 27872 1
50 . 1 1 28 28 SER N N 15 117.479 . . . . . . . . 27 S N . 27872 1
51 . 1 1 29 29 PHE H H 1 7.413 . . . . . . . . 28 F H . 27872 1
52 . 1 1 29 29 PHE N N 15 125.521 . . . . . . . . 28 F N . 27872 1
53 . 1 1 30 30 VAL H H 1 8.635 . . . . . . . . 29 V H . 27872 1
54 . 1 1 30 30 VAL N N 15 117.192 . . . . . . . . 29 V N . 27872 1
55 . 1 1 31 31 GLU H H 1 8.160 . . . . . . . . 30 E H . 27872 1
56 . 1 1 31 31 GLU N N 15 117.288 . . . . . . . . 30 E N . 27872 1
57 . 1 1 32 32 ASP H H 1 7.644 . . . . . . . . 31 D H . 27872 1
58 . 1 1 32 32 ASP N N 15 114.470 . . . . . . . . 31 D N . 27872 1
59 . 1 1 33 33 LEU H H 1 7.229 . . . . . . . . 32 L H . 27872 1
60 . 1 1 33 33 LEU N N 15 115.897 . . . . . . . . 32 L N . 27872 1
61 . 1 1 34 34 GLY H H 1 7.088 . . . . . . . . 33 G H . 27872 1
62 . 1 1 34 34 GLY N N 15 107.008 . . . . . . . . 33 G N . 27872 1
63 . 1 1 35 35 ALA H H 1 8.330 . . . . . . . . 34 A H . 27872 1
64 . 1 1 35 35 ALA N N 15 123.242 . . . . . . . . 34 A N . 27872 1
65 . 1 1 36 36 ASP H H 1 9.188 . . . . . . . . 35 D H . 27872 1
66 . 1 1 36 36 ASP N N 15 123.691 . . . . . . . . 35 D N . 27872 1
67 . 1 1 37 37 SER H H 1 8.509 . . . . . . . . 36 S H . 27872 1
68 . 1 1 37 37 SER N N 15 113.637 . . . . . . . . 36 S N . 27872 1
69 . 1 1 38 38 LEU H H 1 8.036 . . . . . . . . 37 L H . 27872 1
70 . 1 1 38 38 LEU N N 15 124.109 . . . . . . . . 37 L N . 27872 1
71 . 1 1 39 39 ASP H H 1 8.197 . . . . . . . . 38 D H . 27872 1
72 . 1 1 39 39 ASP N N 15 120.204 . . . . . . . . 38 D N . 27872 1
73 . 1 1 40 40 THR H H 1 8.046 . . . . . . . . 39 T H . 27872 1
74 . 1 1 40 40 THR N N 15 112.357 . . . . . . . . 39 T N . 27872 1
75 . 1 1 41 41 VAL H H 1 7.090 . . . . . . . . 40 V H . 27872 1
76 . 1 1 41 41 VAL N N 15 121.621 . . . . . . . . 40 V N . 27872 1
77 . 1 1 42 42 GLU H H 1 7.678 . . . . . . . . 41 E H . 27872 1
78 . 1 1 42 42 GLU N N 15 119.548 . . . . . . . . 41 E N . 27872 1
79 . 1 1 43 43 LEU H H 1 8.268 . . . . . . . . 42 L H . 27872 1
80 . 1 1 43 43 LEU N N 15 121.941 . . . . . . . . 42 L N . 27872 1
81 . 1 1 44 44 VAL H H 1 7.838 . . . . . . . . 43 V H . 27872 1
82 . 1 1 44 44 VAL N N 15 119.566 . . . . . . . . 43 V N . 27872 1
83 . 1 1 45 45 MET H H 1 7.610 . . . . . . . . 44 M H . 27872 1
84 . 1 1 45 45 MET N N 15 117.436 . . . . . . . . 44 M N . 27872 1
85 . 1 1 46 46 ALA H H 1 7.999 . . . . . . . . 45 A H . 27872 1
86 . 1 1 46 46 ALA N N 15 121.962 . . . . . . . . 45 A N . 27872 1
87 . 1 1 47 47 LEU H H 1 8.248 . . . . . . . . 46 L H . 27872 1
88 . 1 1 47 47 LEU N N 15 121.056 . . . . . . . . 46 L N . 27872 1
89 . 1 1 48 48 GLU H H 1 8.561 . . . . . . . . 47 E H . 27872 1
90 . 1 1 48 48 GLU N N 15 120.433 . . . . . . . . 47 E N . 27872 1
91 . 1 1 49 49 GLU H H 1 7.714 . . . . . . . . 48 E H . 27872 1
92 . 1 1 49 49 GLU N N 15 117.475 . . . . . . . . 48 E N . 27872 1
93 . 1 1 50 50 GLU H H 1 7.808 . . . . . . . . 49 E H . 27872 1
94 . 1 1 50 50 GLU N N 15 120.198 . . . . . . . . 49 E N . 27872 1
95 . 1 1 51 51 PHE H H 1 7.658 . . . . . . . . 50 F H . 27872 1
96 . 1 1 51 51 PHE N N 15 111.995 . . . . . . . . 50 F N . 27872 1
97 . 1 1 52 52 ASP H H 1 7.727 . . . . . . . . 51 D H . 27872 1
98 . 1 1 52 52 ASP N N 15 122.934 . . . . . . . . 51 D N . 27872 1
99 . 1 1 53 53 THR H H 1 7.905 . . . . . . . . 52 T H . 27872 1
100 . 1 1 53 53 THR N N 15 112.738 . . . . . . . . 52 T N . 27872 1
101 . 1 1 54 54 GLU H H 1 7.974 . . . . . . . . 53 E H . 27872 1
102 . 1 1 54 54 GLU N N 15 123.110 . . . . . . . . 53 E N . 27872 1
103 . 1 1 55 55 ILE H H 1 10.224 . . . . . . . . 54 I H . 27872 1
104 . 1 1 55 55 ILE N N 15 129.321 . . . . . . . . 54 I N . 27872 1
105 . 1 1 57 57 ASP H H 1 8.768 . . . . . . . . 56 D H . 27872 1
106 . 1 1 57 57 ASP N N 15 125.818 . . . . . . . . 56 D N . 27872 1
107 . 1 1 58 58 GLU H H 1 9.117 . . . . . . . . 57 E H . 27872 1
108 . 1 1 58 58 GLU N N 15 116.747 . . . . . . . . 57 E N . 27872 1
109 . 1 1 59 59 GLU H H 1 7.077 . . . . . . . . 58 E H . 27872 1
110 . 1 1 59 59 GLU N N 15 116.450 . . . . . . . . 58 E N . 27872 1
111 . 1 1 60 60 ALA H H 1 8.037 . . . . . . . . 59 A H . 27872 1
112 . 1 1 60 60 ALA N N 15 123.349 . . . . . . . . 59 A N . 27872 1
113 . 1 1 61 61 GLU H H 1 7.427 . . . . . . . . 60 E H . 27872 1
114 . 1 1 61 61 GLU N N 15 112.735 . . . . . . . . 60 E N . 27872 1
115 . 1 1 62 62 LYS H H 1 6.882 . . . . . . . . 61 K H . 27872 1
116 . 1 1 62 62 LYS N N 15 114.613 . . . . . . . . 61 K N . 27872 1
117 . 1 1 63 63 ILE H H 1 7.490 . . . . . . . . 62 I H . 27872 1
118 . 1 1 63 63 ILE N N 15 123.237 . . . . . . . . 62 I N . 27872 1
119 . 1 1 64 64 THR H H 1 7.893 . . . . . . . . 63 T H . 27872 1
120 . 1 1 64 64 THR N N 15 112.744 . . . . . . . . 63 T N . 27872 1
121 . 1 1 65 65 THR H H 1 7.090 . . . . . . . . 64 T H . 27872 1
122 . 1 1 65 65 THR N N 15 110.895 . . . . . . . . 64 T N . 27872 1
123 . 1 1 66 66 VAL H H 1 7.858 . . . . . . . . 65 V H . 27872 1
124 . 1 1 66 66 VAL N N 15 121.947 . . . . . . . . 65 V N . 27872 1
125 . 1 1 67 67 GLN H H 1 8.553 . . . . . . . . 66 Q H . 27872 1
126 . 1 1 67 67 GLN N N 15 118.440 . . . . . . . . 66 Q N . 27872 1
127 . 1 1 68 68 ALA H H 1 7.641 . . . . . . . . 67 A H . 27872 1
128 . 1 1 68 68 ALA N N 15 119.801 . . . . . . . . 67 A N . 27872 1
129 . 1 1 69 69 ALA H H 1 7.815 . . . . . . . . 68 A H . 27872 1
130 . 1 1 69 69 ALA N N 15 123.232 . . . . . . . . 68 A N . 27872 1
131 . 1 1 70 70 ILE H H 1 7.984 . . . . . . . . 69 I H . 27872 1
132 . 1 1 70 70 ILE N N 15 119.690 . . . . . . . . 69 I N . 27872 1
133 . 1 1 71 71 ASP H H 1 8.981 . . . . . . . . 70 D H . 27872 1
134 . 1 1 71 71 ASP N N 15 119.591 . . . . . . . . 70 D N . 27872 1
135 . 1 1 72 72 TYR H H 1 8.021 . . . . . . . . 71 Y H . 27872 1
136 . 1 1 72 72 TYR N N 15 122.218 . . . . . . . . 71 Y N . 27872 1
137 . 1 1 73 73 ILE H H 1 8.057 . . . . . . . . 72 I H . 27872 1
138 . 1 1 73 73 ILE N N 15 121.368 . . . . . . . . 72 I N . 27872 1
139 . 1 1 74 74 ASN H H 1 8.698 . . . . . . . . 73 N H . 27872 1
140 . 1 1 74 74 ASN N N 15 118.735 . . . . . . . . 73 N N . 27872 1
141 . 1 1 75 75 GLY H H 1 7.702 . . . . . . . . 74 G H . 27872 1
142 . 1 1 75 75 GLY N N 15 105.574 . . . . . . . . 74 G N . 27872 1
143 . 1 1 76 76 HIS H H 1 7.510 . . . . . . . . 75 H H . 27872 1
144 . 1 1 76 76 HIS N N 15 119.205 . . . . . . . . 75 H N . 27872 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_wt_AcpP_0.5eqFabB_CS
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode wt_AcpP_0.5eqFabB_CS
_Assigned_chem_shift_list.Entry_ID 27872
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
2 '2D 1H-15N HSQC' . . . 27872 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
2 $SPARKY . . 27872 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.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 4 4 ILE H H 1 8.516 . . . . . . . . 3 I H . 27872 2
2 . 1 1 4 4 ILE N N 15 122.022 . . . . . . . . 3 I N . 27872 2
3 . 1 1 5 5 GLU H H 1 8.478 . . . . . . . . 4 E H . 27872 2
4 . 1 1 5 5 GLU N N 15 119.136 . . . . . . . . 4 E N . 27872 2
5 . 1 1 6 6 GLU H H 1 7.715 . . . . . . . . 5 E H . 27872 2
6 . 1 1 6 6 GLU N N 15 118.018 . . . . . . . . 5 E N . 27872 2
7 . 1 1 7 7 ARG H H 1 8.218 . . . . . . . . 6 R H . 27872 2
8 . 1 1 7 7 ARG N N 15 120.480 . . . . . . . . 6 R N . 27872 2
9 . 1 1 8 8 VAL H H 1 8.780 . . . . . . . . 7 V H . 27872 2
10 . 1 1 8 8 VAL N N 15 119.639 . . . . . . . . 7 V N . 27872 2
11 . 1 1 9 9 LYS H H 1 8.092 . . . . . . . . 8 K H . 27872 2
12 . 1 1 9 9 LYS N N 15 117.574 . . . . . . . . 8 K N . 27872 2
13 . 1 1 10 10 LYS H H 1 8.132 . . . . . . . . 9 K H . 27872 2
14 . 1 1 10 10 LYS N N 15 121.047 . . . . . . . . 9 K N . 27872 2
15 . 1 1 11 11 ILE H H 1 7.473 . . . . . . . . 10 I H . 27872 2
16 . 1 1 11 11 ILE N N 15 119.825 . . . . . . . . 10 I N . 27872 2
17 . 1 1 12 12 ILE H H 1 8.149 . . . . . . . . 11 I H . 27872 2
18 . 1 1 12 12 ILE N N 15 119.408 . . . . . . . . 11 I N . 27872 2
19 . 1 1 13 13 GLY H H 1 8.320 . . . . . . . . 12 G H . 27872 2
20 . 1 1 13 13 GLY N N 15 105.766 . . . . . . . . 12 G N . 27872 2
21 . 1 1 14 14 GLU H H 1 8.059 . . . . . . . . 13 E H . 27872 2
22 . 1 1 14 14 GLU N N 15 120.657 . . . . . . . . 13 E N . 27872 2
23 . 1 1 15 15 GLN H H 1 8.261 . . . . . . . . 14 Q H . 27872 2
24 . 1 1 15 15 GLN N N 15 117.922 . . . . . . . . 14 Q N . 27872 2
25 . 1 1 16 16 LEU H H 1 7.892 . . . . . . . . 15 L H . 27872 2
26 . 1 1 16 16 LEU N N 15 113.533 . . . . . . . . 15 L N . 27872 2
27 . 1 1 17 17 GLY H H 1 7.651 . . . . . . . . 16 G H . 27872 2
28 . 1 1 17 17 GLY N N 15 110.391 . . . . . . . . 16 G N . 27872 2
29 . 1 1 18 18 VAL H H 1 7.759 . . . . . . . . 17 V H . 27872 2
30 . 1 1 18 18 VAL N N 15 115.139 . . . . . . . . 17 V N . 27872 2
31 . 1 1 19 19 LYS H H 1 8.415 . . . . . . . . 18 K H . 27872 2
32 . 1 1 19 19 LYS N N 15 123.546 . . . . . . . . 18 K N . 27872 2
33 . 1 1 20 20 GLN H H 1 8.654 . . . . . . . . 19 Q H . 27872 2
34 . 1 1 20 20 GLN N N 15 123.238 . . . . . . . . 19 Q N . 27872 2
35 . 1 1 21 21 GLU H H 1 9.262 . . . . . . . . 20 E H . 27872 2
36 . 1 1 21 21 GLU N N 15 117.083 . . . . . . . . 20 E N . 27872 2
37 . 1 1 22 22 GLU H H 1 7.740 . . . . . . . . 21 E H . 27872 2
38 . 1 1 22 22 GLU N N 15 117.412 . . . . . . . . 21 E N . 27872 2
39 . 1 1 23 23 VAL H H 1 7.393 . . . . . . . . 22 V H . 27872 2
40 . 1 1 23 23 VAL N N 15 122.976 . . . . . . . . 22 V N . 27872 2
41 . 1 1 24 24 THR H H 1 7.198 . . . . . . . . 23 T H . 27872 2
42 . 1 1 24 24 THR N N 15 116.039 . . . . . . . . 23 T N . 27872 2
43 . 1 1 25 25 ASN H H 1 8.452 . . . . . . . . 24 N H . 27872 2
44 . 1 1 25 25 ASN N N 15 119.250 . . . . . . . . 24 N N . 27872 2
45 . 1 1 26 26 ASN H H 1 7.964 . . . . . . . . 25 N H . 27872 2
46 . 1 1 26 26 ASN N N 15 112.414 . . . . . . . . 25 N N . 27872 2
47 . 1 1 27 27 ALA H H 1 7.174 . . . . . . . . 26 A H . 27872 2
48 . 1 1 27 27 ALA N N 15 123.420 . . . . . . . . 26 A N . 27872 2
49 . 1 1 28 28 SER H H 1 9.814 . . . . . . . . 27 S H . 27872 2
50 . 1 1 28 28 SER N N 15 117.565 . . . . . . . . 27 S N . 27872 2
51 . 1 1 29 29 PHE H H 1 7.420 . . . . . . . . 28 F H . 27872 2
52 . 1 1 29 29 PHE N N 15 125.770 . . . . . . . . 28 F N . 27872 2
53 . 1 1 30 30 VAL H H 1 8.634 . . . . . . . . 29 V H . 27872 2
54 . 1 1 30 30 VAL N N 15 117.317 . . . . . . . . 29 V N . 27872 2
55 . 1 1 31 31 GLU H H 1 8.167 . . . . . . . . 30 E H . 27872 2
56 . 1 1 31 31 GLU N N 15 117.260 . . . . . . . . 30 E N . 27872 2
57 . 1 1 32 32 ASP H H 1 7.660 . . . . . . . . 31 D H . 27872 2
58 . 1 1 32 32 ASP N N 15 114.331 . . . . . . . . 31 D N . 27872 2
59 . 1 1 33 33 LEU H H 1 7.198 . . . . . . . . 32 L H . 27872 2
60 . 1 1 33 33 LEU N N 15 116.039 . . . . . . . . 32 L N . 27872 2
61 . 1 1 34 34 GLY H H 1 7.135 . . . . . . . . 33 G H . 27872 2
62 . 1 1 34 34 GLY N N 15 107.082 . . . . . . . . 33 G N . 27872 2
63 . 1 1 35 35 ALA H H 1 8.354 . . . . . . . . 34 A H . 27872 2
64 . 1 1 35 35 ALA N N 15 123.335 . . . . . . . . 34 A N . 27872 2
65 . 1 1 36 36 ASP H H 1 9.152 . . . . . . . . 35 D H . 27872 2
66 . 1 1 36 36 ASP N N 15 123.057 . . . . . . . . 35 D N . 27872 2
67 . 1 1 37 37 SER H H 1 8.525 . . . . . . . . 36 S H . 27872 2
68 . 1 1 37 37 SER N N 15 113.141 . . . . . . . . 36 S N . 27872 2
69 . 1 1 38 38 LEU H H 1 7.909 . . . . . . . . 37 L H . 27872 2
70 . 1 1 38 38 LEU N N 15 124.016 . . . . . . . . 37 L N . 27872 2
71 . 1 1 39 39 ASP H H 1 8.123 . . . . . . . . 38 D H . 27872 2
72 . 1 1 39 39 ASP N N 15 119.712 . . . . . . . . 38 D N . 27872 2
73 . 1 1 40 40 THR H H 1 8.093 . . . . . . . . 39 T H . 27872 2
74 . 1 1 40 40 THR N N 15 112.279 . . . . . . . . 39 T N . 27872 2
75 . 1 1 41 41 VAL H H 1 7.087 . . . . . . . . 40 V H . 27872 2
76 . 1 1 41 41 VAL N N 15 121.641 . . . . . . . . 40 V N . 27872 2
77 . 1 1 42 42 GLU H H 1 7.661 . . . . . . . . 41 E H . 27872 2
78 . 1 1 42 42 GLU N N 15 119.786 . . . . . . . . 41 E N . 27872 2
79 . 1 1 43 43 LEU H H 1 8.350 . . . . . . . . 42 L H . 27872 2
80 . 1 1 43 43 LEU N N 15 121.930 . . . . . . . . 42 L N . 27872 2
81 . 1 1 44 44 VAL H H 1 7.797 . . . . . . . . 43 V H . 27872 2
82 . 1 1 44 44 VAL N N 15 119.496 . . . . . . . . 43 V N . 27872 2
83 . 1 1 45 45 MET H H 1 7.626 . . . . . . . . 44 M H . 27872 2
84 . 1 1 45 45 MET N N 15 117.661 . . . . . . . . 44 M N . 27872 2
85 . 1 1 46 46 ALA H H 1 8.055 . . . . . . . . 45 A H . 27872 2
86 . 1 1 46 46 ALA N N 15 121.956 . . . . . . . . 45 A N . 27872 2
87 . 1 1 47 47 LEU H H 1 8.253 . . . . . . . . 46 L H . 27872 2
88 . 1 1 47 47 LEU N N 15 120.988 . . . . . . . . 46 L N . 27872 2
89 . 1 1 48 48 GLU H H 1 8.514 . . . . . . . . 47 E H . 27872 2
90 . 1 1 48 48 GLU N N 15 120.257 . . . . . . . . 47 E N . 27872 2
91 . 1 1 49 49 GLU H H 1 7.740 . . . . . . . . 48 E H . 27872 2
92 . 1 1 49 49 GLU N N 15 117.412 . . . . . . . . 48 E N . 27872 2
93 . 1 1 50 50 GLU H H 1 7.815 . . . . . . . . 49 E H . 27872 2
94 . 1 1 50 50 GLU N N 15 120.183 . . . . . . . . 49 E N . 27872 2
95 . 1 1 51 51 PHE H H 1 7.643 . . . . . . . . 50 F H . 27872 2
96 . 1 1 51 51 PHE N N 15 112.055 . . . . . . . . 50 F N . 27872 2
97 . 1 1 52 52 ASP H H 1 7.723 . . . . . . . . 51 D H . 27872 2
98 . 1 1 52 52 ASP N N 15 122.906 . . . . . . . . 51 D N . 27872 2
99 . 1 1 53 53 THR H H 1 7.927 . . . . . . . . 52 T H . 27872 2
100 . 1 1 53 53 THR N N 15 112.822 . . . . . . . . 52 T N . 27872 2
101 . 1 1 54 54 GLU H H 1 7.972 . . . . . . . . 53 E H . 27872 2
102 . 1 1 54 54 GLU N N 15 123.079 . . . . . . . . 53 E N . 27872 2
103 . 1 1 55 55 ILE H H 1 10.251 . . . . . . . . 54 I H . 27872 2
104 . 1 1 55 55 ILE N N 15 129.541 . . . . . . . . 54 I N . 27872 2
105 . 1 1 57 57 ASP H H 1 8.769 . . . . . . . . 56 D H . 27872 2
106 . 1 1 57 57 ASP N N 15 125.745 . . . . . . . . 56 D N . 27872 2
107 . 1 1 58 58 GLU H H 1 9.149 . . . . . . . . 57 E H . 27872 2
108 . 1 1 58 58 GLU N N 15 116.830 . . . . . . . . 57 E N . 27872 2
109 . 1 1 59 59 GLU H H 1 7.078 . . . . . . . . 58 E H . 27872 2
110 . 1 1 59 59 GLU N N 15 116.472 . . . . . . . . 58 E N . 27872 2
111 . 1 1 60 60 ALA H H 1 8.081 . . . . . . . . 59 A H . 27872 2
112 . 1 1 60 60 ALA N N 15 123.479 . . . . . . . . 59 A N . 27872 2
113 . 1 1 61 61 GLU H H 1 7.427 . . . . . . . . 60 E H . 27872 2
114 . 1 1 61 61 GLU N N 15 113.019 . . . . . . . . 60 E N . 27872 2
115 . 1 1 62 62 LYS H H 1 6.897 . . . . . . . . 61 K H . 27872 2
116 . 1 1 62 62 LYS N N 15 114.641 . . . . . . . . 61 K N . 27872 2
117 . 1 1 63 63 ILE H H 1 7.486 . . . . . . . . 62 I H . 27872 2
118 . 1 1 63 63 ILE N N 15 123.111 . . . . . . . . 62 I N . 27872 2
119 . 1 1 64 64 THR H H 1 7.834 . . . . . . . . 63 T H . 27872 2
120 . 1 1 64 64 THR N N 15 112.679 . . . . . . . . 63 T N . 27872 2
121 . 1 1 65 65 THR H H 1 7.058 . . . . . . . . 64 T H . 27872 2
122 . 1 1 65 65 THR N N 15 111.001 . . . . . . . . 64 T N . 27872 2
123 . 1 1 66 66 VAL H H 1 7.873 . . . . . . . . 65 V H . 27872 2
124 . 1 1 66 66 VAL N N 15 121.893 . . . . . . . . 65 V N . 27872 2
125 . 1 1 67 67 GLN H H 1 8.511 . . . . . . . . 66 Q H . 27872 2
126 . 1 1 67 67 GLN N N 15 118.390 . . . . . . . . 66 Q N . 27872 2
127 . 1 1 68 68 ALA H H 1 7.620 . . . . . . . . 67 A H . 27872 2
128 . 1 1 68 68 ALA N N 15 119.713 . . . . . . . . 67 A N . 27872 2
129 . 1 1 69 69 ALA H H 1 7.796 . . . . . . . . 68 A H . 27872 2
130 . 1 1 69 69 ALA N N 15 122.980 . . . . . . . . 68 A N . 27872 2
131 . 1 1 70 70 ILE H H 1 7.973 . . . . . . . . 69 I H . 27872 2
132 . 1 1 70 70 ILE N N 15 119.595 . . . . . . . . 69 I N . 27872 2
133 . 1 1 71 71 ASP H H 1 8.997 . . . . . . . . 70 D H . 27872 2
134 . 1 1 71 71 ASP N N 15 119.540 . . . . . . . . 70 D N . 27872 2
135 . 1 1 72 72 TYR H H 1 8.018 . . . . . . . . 71 Y H . 27872 2
136 . 1 1 72 72 TYR N N 15 122.134 . . . . . . . . 71 Y N . 27872 2
137 . 1 1 73 73 ILE H H 1 8.054 . . . . . . . . 72 I H . 27872 2
138 . 1 1 73 73 ILE N N 15 121.362 . . . . . . . . 72 I N . 27872 2
139 . 1 1 74 74 ASN H H 1 8.699 . . . . . . . . 73 N H . 27872 2
140 . 1 1 74 74 ASN N N 15 118.726 . . . . . . . . 73 N N . 27872 2
141 . 1 1 75 75 GLY H H 1 7.696 . . . . . . . . 74 G H . 27872 2
142 . 1 1 75 75 GLY N N 15 105.594 . . . . . . . . 74 G N . 27872 2
143 . 1 1 76 76 HIS H H 1 7.510 . . . . . . . . 75 H H . 27872 2
144 . 1 1 76 76 HIS N N 15 119.226 . . . . . . . . 75 H N . 27872 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_wt_AcpP_1.0eqFabB_CS
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode wt_AcpP_1.0eqFabB_CS
_Assigned_chem_shift_list.Entry_ID 27872
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
3 '2D 1H-15N HSQC' . . . 27872 3
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
2 $SPARKY . . 27872 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.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 4 4 ILE H H 1 8.517 . . . . . . . . 3 I H . 27872 3
2 . 1 1 4 4 ILE N N 15 121.999 . . . . . . . . 3 I N . 27872 3
3 . 1 1 5 5 GLU H H 1 8.481 . . . . . . . . 4 E H . 27872 3
4 . 1 1 5 5 GLU N N 15 119.126 . . . . . . . . 4 E N . 27872 3
5 . 1 1 6 6 GLU H H 1 7.715 . . . . . . . . 5 E H . 27872 3
6 . 1 1 6 6 GLU N N 15 118.018 . . . . . . . . 5 E N . 27872 3
7 . 1 1 7 7 ARG H H 1 8.220 . . . . . . . . 6 R H . 27872 3
8 . 1 1 7 7 ARG N N 15 120.482 . . . . . . . . 6 R N . 27872 3
9 . 1 1 8 8 VAL H H 1 8.778 . . . . . . . . 7 V H . 27872 3
10 . 1 1 8 8 VAL N N 15 119.634 . . . . . . . . 7 V N . 27872 3
11 . 1 1 9 9 LYS H H 1 8.094 . . . . . . . . 8 K H . 27872 3
12 . 1 1 9 9 LYS N N 15 117.577 . . . . . . . . 8 K N . 27872 3
13 . 1 1 10 10 LYS H H 1 8.129 . . . . . . . . 9 K H . 27872 3
14 . 1 1 10 10 LYS N N 15 121.052 . . . . . . . . 9 K N . 27872 3
15 . 1 1 11 11 ILE H H 1 7.467 . . . . . . . . 10 I H . 27872 3
16 . 1 1 11 11 ILE N N 15 119.742 . . . . . . . . 10 I N . 27872 3
17 . 1 1 12 12 ILE H H 1 8.128 . . . . . . . . 11 I H . 27872 3
18 . 1 1 12 12 ILE N N 15 119.376 . . . . . . . . 11 I N . 27872 3
19 . 1 1 13 13 GLY H H 1 8.319 . . . . . . . . 12 G H . 27872 3
20 . 1 1 13 13 GLY N N 15 105.763 . . . . . . . . 12 G N . 27872 3
21 . 1 1 14 14 GLU H H 1 8.057 . . . . . . . . 13 E H . 27872 3
22 . 1 1 14 14 GLU N N 15 120.630 . . . . . . . . 13 E N . 27872 3
23 . 1 1 15 15 GLN H H 1 8.245 . . . . . . . . 14 Q H . 27872 3
24 . 1 1 15 15 GLN N N 15 117.902 . . . . . . . . 14 Q N . 27872 3
25 . 1 1 16 16 LEU H H 1 7.848 . . . . . . . . 15 L H . 27872 3
26 . 1 1 16 16 LEU N N 15 113.229 . . . . . . . . 15 L N . 27872 3
27 . 1 1 17 17 GLY H H 1 7.636 . . . . . . . . 16 G H . 27872 3
28 . 1 1 17 17 GLY N N 15 110.374 . . . . . . . . 16 G N . 27872 3
29 . 1 1 18 18 VAL H H 1 7.771 . . . . . . . . 17 V H . 27872 3
30 . 1 1 18 18 VAL N N 15 115.155 . . . . . . . . 17 V N . 27872 3
31 . 1 1 19 19 LYS H H 1 8.420 . . . . . . . . 18 K H . 27872 3
32 . 1 1 19 19 LYS N N 15 123.585 . . . . . . . . 18 K N . 27872 3
33 . 1 1 20 20 GLN H H 1 8.654 . . . . . . . . 19 Q H . 27872 3
34 . 1 1 20 20 GLN N N 15 123.209 . . . . . . . . 19 Q N . 27872 3
35 . 1 1 21 21 GLU H H 1 9.259 . . . . . . . . 20 E H . 27872 3
36 . 1 1 21 21 GLU N N 15 117.089 . . . . . . . . 20 E N . 27872 3
37 . 1 1 22 22 GLU H H 1 7.746 . . . . . . . . 21 E H . 27872 3
38 . 1 1 22 22 GLU N N 15 117.372 . . . . . . . . 21 E N . 27872 3
39 . 1 1 23 23 VAL H H 1 7.393 . . . . . . . . 22 V H . 27872 3
40 . 1 1 23 23 VAL N N 15 123.000 . . . . . . . . 22 V N . 27872 3
41 . 1 1 24 24 THR H H 1 7.205 . . . . . . . . 23 T H . 27872 3
42 . 1 1 24 24 THR N N 15 116.052 . . . . . . . . 23 T N . 27872 3
43 . 1 1 25 25 ASN H H 1 8.457 . . . . . . . . 24 N H . 27872 3
44 . 1 1 25 25 ASN N N 15 119.227 . . . . . . . . 24 N N . 27872 3
45 . 1 1 26 26 ASN H H 1 7.962 . . . . . . . . 25 N H . 27872 3
46 . 1 1 26 26 ASN N N 15 112.378 . . . . . . . . 25 N N . 27872 3
47 . 1 1 27 27 ALA H H 1 7.179 . . . . . . . . 26 A H . 27872 3
48 . 1 1 27 27 ALA N N 15 123.421 . . . . . . . . 26 A N . 27872 3
49 . 1 1 28 28 SER H H 1 9.819 . . . . . . . . 27 S H . 27872 3
50 . 1 1 28 28 SER N N 15 117.605 . . . . . . . . 27 S N . 27872 3
51 . 1 1 29 29 PHE H H 1 7.424 . . . . . . . . 28 F H . 27872 3
52 . 1 1 29 29 PHE N N 15 125.972 . . . . . . . . 28 F N . 27872 3
53 . 1 1 30 30 VAL H H 1 8.633 . . . . . . . . 29 V H . 27872 3
54 . 1 1 30 30 VAL N N 15 117.401 . . . . . . . . 29 V N . 27872 3
55 . 1 1 31 31 GLU H H 1 8.172 . . . . . . . . 30 E H . 27872 3
56 . 1 1 31 31 GLU N N 15 117.241 . . . . . . . . 30 E N . 27872 3
57 . 1 1 32 32 ASP H H 1 7.674 . . . . . . . . 31 D H . 27872 3
58 . 1 1 32 32 ASP N N 15 114.218 . . . . . . . . 31 D N . 27872 3
59 . 1 1 33 33 LEU H H 1 7.154 . . . . . . . . 32 L H . 27872 3
60 . 1 1 33 33 LEU N N 15 115.874 . . . . . . . . 32 L N . 27872 3
61 . 1 1 34 34 GLY H H 1 7.169 . . . . . . . . 33 G H . 27872 3
62 . 1 1 34 34 GLY N N 15 107.112 . . . . . . . . 33 G N . 27872 3
63 . 1 1 35 35 ALA H H 1 8.370 . . . . . . . . 34 A H . 27872 3
64 . 1 1 35 35 ALA N N 15 123.387 . . . . . . . . 34 A N . 27872 3
65 . 1 1 36 36 ASP H H 1 9.123 . . . . . . . . 35 D H . 27872 3
66 . 1 1 36 36 ASP N N 15 122.589 . . . . . . . . 35 D N . 27872 3
67 . 1 1 37 37 SER H H 1 8.534 . . . . . . . . 36 S H . 27872 3
68 . 1 1 37 37 SER N N 15 112.767 . . . . . . . . 36 S N . 27872 3
69 . 1 1 38 38 LEU H H 1 7.816 . . . . . . . . 37 L H . 27872 3
70 . 1 1 38 38 LEU N N 15 123.955 . . . . . . . . 37 L N . 27872 3
71 . 1 1 39 39 ASP H H 1 8.072 . . . . . . . . 38 D H . 27872 3
72 . 1 1 39 39 ASP N N 15 119.395 . . . . . . . . 38 D N . 27872 3
73 . 1 1 40 40 THR H H 1 8.127 . . . . . . . . 39 T H . 27872 3
74 . 1 1 40 40 THR N N 15 112.228 . . . . . . . . 39 T N . 27872 3
75 . 1 1 41 41 VAL H H 1 7.082 . . . . . . . . 40 V H . 27872 3
76 . 1 1 41 41 VAL N N 15 121.666 . . . . . . . . 40 V N . 27872 3
77 . 1 1 42 42 GLU H H 1 7.679 . . . . . . . . 41 E H . 27872 3
78 . 1 1 42 42 GLU N N 15 119.804 . . . . . . . . 41 E N . 27872 3
79 . 1 1 43 43 LEU H H 1 8.410 . . . . . . . . 42 L H . 27872 3
80 . 1 1 43 43 LEU N N 15 121.894 . . . . . . . . 42 L N . 27872 3
81 . 1 1 44 44 VAL H H 1 7.769 . . . . . . . . 43 V H . 27872 3
82 . 1 1 44 44 VAL N N 15 119.471 . . . . . . . . 43 V N . 27872 3
83 . 1 1 45 45 MET H H 1 7.635 . . . . . . . . 44 M H . 27872 3
84 . 1 1 45 45 MET N N 15 117.831 . . . . . . . . 44 M N . 27872 3
85 . 1 1 46 46 ALA H H 1 8.094 . . . . . . . . 45 A H . 27872 3
86 . 1 1 46 46 ALA N N 15 121.945 . . . . . . . . 45 A N . 27872 3
87 . 1 1 47 47 LEU H H 1 8.254 . . . . . . . . 46 L H . 27872 3
88 . 1 1 47 47 LEU N N 15 120.964 . . . . . . . . 46 L N . 27872 3
89 . 1 1 48 48 GLU H H 1 8.484 . . . . . . . . 47 E H . 27872 3
90 . 1 1 48 48 GLU N N 15 120.139 . . . . . . . . 47 E N . 27872 3
91 . 1 1 49 49 GLU H H 1 7.746 . . . . . . . . 48 E H . 27872 3
92 . 1 1 49 49 GLU N N 15 117.372 . . . . . . . . 48 E N . 27872 3
93 . 1 1 50 50 GLU H H 1 7.820 . . . . . . . . 49 E H . 27872 3
94 . 1 1 50 50 GLU N N 15 120.176 . . . . . . . . 49 E N . 27872 3
95 . 1 1 51 51 PHE H H 1 7.632 . . . . . . . . 50 F H . 27872 3
96 . 1 1 51 51 PHE N N 15 112.084 . . . . . . . . 50 F N . 27872 3
97 . 1 1 52 52 ASP H H 1 7.720 . . . . . . . . 51 D H . 27872 3
98 . 1 1 52 52 ASP N N 15 122.900 . . . . . . . . 51 D N . 27872 3
99 . 1 1 53 53 THR H H 1 7.945 . . . . . . . . 52 T H . 27872 3
100 . 1 1 53 53 THR N N 15 112.858 . . . . . . . . 52 T N . 27872 3
101 . 1 1 54 54 GLU H H 1 7.968 . . . . . . . . 53 E H . 27872 3
102 . 1 1 54 54 GLU N N 15 123.039 . . . . . . . . 53 E N . 27872 3
103 . 1 1 55 55 ILE H H 1 10.268 . . . . . . . . 54 I H . 27872 3
104 . 1 1 55 55 ILE N N 15 129.710 . . . . . . . . 54 I N . 27872 3
105 . 1 1 57 57 ASP H H 1 8.771 . . . . . . . . 56 D H . 27872 3
106 . 1 1 57 57 ASP N N 15 125.693 . . . . . . . . 56 D N . 27872 3
107 . 1 1 58 58 GLU H H 1 9.171 . . . . . . . . 57 E H . 27872 3
108 . 1 1 58 58 GLU N N 15 116.884 . . . . . . . . 57 E N . 27872 3
109 . 1 1 59 59 GLU H H 1 7.079 . . . . . . . . 58 E H . 27872 3
110 . 1 1 59 59 GLU N N 15 116.486 . . . . . . . . 58 E N . 27872 3
111 . 1 1 60 60 ALA H H 1 8.114 . . . . . . . . 59 A H . 27872 3
112 . 1 1 60 60 ALA N N 15 123.587 . . . . . . . . 59 A N . 27872 3
113 . 1 1 61 61 GLU H H 1 7.425 . . . . . . . . 60 E H . 27872 3
114 . 1 1 61 61 GLU N N 15 113.247 . . . . . . . . 60 E N . 27872 3
115 . 1 1 62 62 LYS H H 1 6.908 . . . . . . . . 61 K H . 27872 3
116 . 1 1 62 62 LYS N N 15 114.672 . . . . . . . . 61 K N . 27872 3
117 . 1 1 63 63 ILE H H 1 7.481 . . . . . . . . 62 I H . 27872 3
118 . 1 1 63 63 ILE N N 15 123.005 . . . . . . . . 62 I N . 27872 3
119 . 1 1 64 64 THR H H 1 7.790 . . . . . . . . 63 T H . 27872 3
120 . 1 1 64 64 THR N N 15 112.624 . . . . . . . . 63 T N . 27872 3
121 . 1 1 65 65 THR H H 1 7.035 . . . . . . . . 64 T H . 27872 3
122 . 1 1 65 65 THR N N 15 111.094 . . . . . . . . 64 T N . 27872 3
123 . 1 1 66 66 VAL H H 1 7.885 . . . . . . . . 65 V H . 27872 3
124 . 1 1 66 66 VAL N N 15 121.861 . . . . . . . . 65 V N . 27872 3
125 . 1 1 67 67 GLN H H 1 8.481 . . . . . . . . 66 Q H . 27872 3
126 . 1 1 67 67 GLN N N 15 118.367 . . . . . . . . 66 Q N . 27872 3
127 . 1 1 68 68 ALA H H 1 7.577 . . . . . . . . 67 A H . 27872 3
128 . 1 1 68 68 ALA N N 15 119.834 . . . . . . . . 67 A N . 27872 3
129 . 1 1 69 69 ALA H H 1 7.780 . . . . . . . . 68 A H . 27872 3
130 . 1 1 69 69 ALA N N 15 122.815 . . . . . . . . 68 A N . 27872 3
131 . 1 1 70 70 ILE H H 1 7.963 . . . . . . . . 69 I H . 27872 3
132 . 1 1 70 70 ILE N N 15 119.532 . . . . . . . . 69 I N . 27872 3
133 . 1 1 71 71 ASP H H 1 9.009 . . . . . . . . 70 D H . 27872 3
134 . 1 1 71 71 ASP N N 15 119.500 . . . . . . . . 70 D N . 27872 3
135 . 1 1 72 72 TYR H H 1 8.015 . . . . . . . . 71 Y H . 27872 3
136 . 1 1 72 72 TYR N N 15 122.078 . . . . . . . . 71 Y N . 27872 3
137 . 1 1 73 73 ILE H H 1 8.051 . . . . . . . . 72 I H . 27872 3
138 . 1 1 73 73 ILE N N 15 121.355 . . . . . . . . 72 I N . 27872 3
139 . 1 1 74 74 ASN H H 1 8.700 . . . . . . . . 73 N H . 27872 3
140 . 1 1 74 74 ASN N N 15 118.723 . . . . . . . . 73 N N . 27872 3
141 . 1 1 75 75 GLY H H 1 7.691 . . . . . . . . 74 G H . 27872 3
142 . 1 1 75 75 GLY N N 15 105.605 . . . . . . . . 74 G N . 27872 3
143 . 1 1 76 76 HIS H H 1 7.509 . . . . . . . . 75 H H . 27872 3
144 . 1 1 76 76 HIS N N 15 119.239 . . . . . . . . 75 H N . 27872 3
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_wt_AcpP_1.5eqFabB_CS
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode wt_AcpP_1.5eqFabB_CS
_Assigned_chem_shift_list.Entry_ID 27872
_Assigned_chem_shift_list.ID 4
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
4 '2D 1H-15N HSQC' . . . 27872 4
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
2 $SPARKY . . 27872 4
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.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 4 4 ILE H H 1 8.517 . . . . . . . . 3 I H . 27872 4
2 . 1 1 4 4 ILE N N 15 121.983 . . . . . . . . 3 I N . 27872 4
3 . 1 1 5 5 GLU H H 1 8.483 . . . . . . . . 4 E H . 27872 4
4 . 1 1 5 5 GLU N N 15 119.124 . . . . . . . . 4 E N . 27872 4
5 . 1 1 6 6 GLU H H 1 7.714 . . . . . . . . 5 E H . 27872 4
6 . 1 1 6 6 GLU N N 15 118.008 . . . . . . . . 5 E N . 27872 4
7 . 1 1 7 7 ARG H H 1 8.222 . . . . . . . . 6 R H . 27872 4
8 . 1 1 7 7 ARG N N 15 120.486 . . . . . . . . 6 R N . 27872 4
9 . 1 1 8 8 VAL H H 1 8.775 . . . . . . . . 7 V H . 27872 4
10 . 1 1 8 8 VAL N N 15 119.640 . . . . . . . . 7 V N . 27872 4
11 . 1 1 9 9 LYS H H 1 8.096 . . . . . . . . 8 K H . 27872 4
12 . 1 1 9 9 LYS N N 15 117.570 . . . . . . . . 8 K N . 27872 4
13 . 1 1 10 10 LYS H H 1 8.127 . . . . . . . . 9 K H . 27872 4
14 . 1 1 10 10 LYS N N 15 121.050 . . . . . . . . 9 K N . 27872 4
15 . 1 1 11 11 ILE H H 1 7.464 . . . . . . . . 10 I H . 27872 4
16 . 1 1 11 11 ILE N N 15 119.704 . . . . . . . . 10 I N . 27872 4
17 . 1 1 12 12 ILE H H 1 8.117 . . . . . . . . 11 I H . 27872 4
18 . 1 1 12 12 ILE N N 15 119.373 . . . . . . . . 11 I N . 27872 4
19 . 1 1 13 13 GLY H H 1 8.317 . . . . . . . . 12 G H . 27872 4
20 . 1 1 13 13 GLY N N 15 105.757 . . . . . . . . 12 G N . 27872 4
21 . 1 1 14 14 GLU H H 1 8.055 . . . . . . . . 13 E H . 27872 4
22 . 1 1 14 14 GLU N N 15 120.612 . . . . . . . . 13 E N . 27872 4
23 . 1 1 15 15 GLN H H 1 8.237 . . . . . . . . 14 Q H . 27872 4
24 . 1 1 15 15 GLN N N 15 117.887 . . . . . . . . 14 Q N . 27872 4
25 . 1 1 16 16 LEU H H 1 7.823 . . . . . . . . 15 L H . 27872 4
26 . 1 1 16 16 LEU N N 15 113.063 . . . . . . . . 15 L N . 27872 4
27 . 1 1 17 17 GLY H H 1 7.631 . . . . . . . . 16 G H . 27872 4
28 . 1 1 17 17 GLY N N 15 110.365 . . . . . . . . 16 G N . 27872 4
29 . 1 1 18 18 VAL H H 1 7.780 . . . . . . . . 17 V H . 27872 4
30 . 1 1 18 18 VAL N N 15 115.181 . . . . . . . . 17 V N . 27872 4
31 . 1 1 19 19 LYS H H 1 8.423 . . . . . . . . 18 K H . 27872 4
32 . 1 1 19 19 LYS N N 15 123.608 . . . . . . . . 18 K N . 27872 4
33 . 1 1 20 20 GLN H H 1 8.654 . . . . . . . . 19 Q H . 27872 4
34 . 1 1 20 20 GLN N N 15 123.186 . . . . . . . . 19 Q N . 27872 4
35 . 1 1 21 21 GLU H H 1 9.258 . . . . . . . . 20 E H . 27872 4
36 . 1 1 21 21 GLU N N 15 117.087 . . . . . . . . 20 E N . 27872 4
37 . 1 1 22 22 GLU H H 1 7.748 . . . . . . . . 21 E H . 27872 4
38 . 1 1 22 22 GLU N N 15 117.393 . . . . . . . . 21 E N . 27872 4
39 . 1 1 23 23 VAL H H 1 7.392 . . . . . . . . 22 V H . 27872 4
40 . 1 1 23 23 VAL N N 15 123.020 . . . . . . . . 22 V N . 27872 4
41 . 1 1 24 24 THR H H 1 7.208 . . . . . . . . 23 T H . 27872 4
42 . 1 1 24 24 THR N N 15 116.060 . . . . . . . . 23 T N . 27872 4
43 . 1 1 25 25 ASN H H 1 8.459 . . . . . . . . 24 N H . 27872 4
44 . 1 1 25 25 ASN N N 15 119.212 . . . . . . . . 24 N N . 27872 4
45 . 1 1 26 26 ASN H H 1 7.962 . . . . . . . . 25 N H . 27872 4
46 . 1 1 26 26 ASN N N 15 112.350 . . . . . . . . 25 N N . 27872 4
47 . 1 1 27 27 ALA H H 1 7.182 . . . . . . . . 26 A H . 27872 4
48 . 1 1 27 27 ALA N N 15 123.421 . . . . . . . . 26 A N . 27872 4
49 . 1 1 28 28 SER H H 1 9.823 . . . . . . . . 27 S H . 27872 4
50 . 1 1 28 28 SER N N 15 117.643 . . . . . . . . 27 S N . 27872 4
51 . 1 1 29 29 PHE H H 1 7.427 . . . . . . . . 28 F H . 27872 4
52 . 1 1 29 29 PHE N N 15 126.082 . . . . . . . . 28 F N . 27872 4
53 . 1 1 30 30 VAL H H 1 8.631 . . . . . . . . 29 V H . 27872 4
54 . 1 1 30 30 VAL N N 15 117.476 . . . . . . . . 29 V N . 27872 4
55 . 1 1 31 31 GLU H H 1 8.176 . . . . . . . . 30 E H . 27872 4
56 . 1 1 31 31 GLU N N 15 117.227 . . . . . . . . 30 E N . 27872 4
57 . 1 1 32 32 ASP H H 1 7.679 . . . . . . . . 31 D H . 27872 4
58 . 1 1 32 32 ASP N N 15 114.174 . . . . . . . . 31 D N . 27872 4
59 . 1 1 33 33 LEU H H 1 7.135 . . . . . . . . 32 L H . 27872 4
60 . 1 1 33 33 LEU N N 15 115.853 . . . . . . . . 32 L N . 27872 4
61 . 1 1 34 34 GLY H H 1 7.186 . . . . . . . . 33 G H . 27872 4
62 . 1 1 34 34 GLY N N 15 107.147 . . . . . . . . 33 G N . 27872 4
63 . 1 1 35 35 ALA H H 1 8.379 . . . . . . . . 34 A H . 27872 4
64 . 1 1 35 35 ALA N N 15 123.435 . . . . . . . . 34 A N . 27872 4
65 . 1 1 36 36 ASP H H 1 9.107 . . . . . . . . 35 D H . 27872 4
66 . 1 1 36 36 ASP N N 15 122.340 . . . . . . . . 35 D N . 27872 4
67 . 1 1 37 37 SER H H 1 8.540 . . . . . . . . 36 S H . 27872 4
68 . 1 1 37 37 SER N N 15 112.579 . . . . . . . . 36 S N . 27872 4
69 . 1 1 38 38 LEU H H 1 7.764 . . . . . . . . 37 L H . 27872 4
70 . 1 1 38 38 LEU N N 15 123.904 . . . . . . . . 37 L N . 27872 4
71 . 1 1 39 39 ASP H H 1 8.042 . . . . . . . . 38 D H . 27872 4
72 . 1 1 39 39 ASP N N 15 119.224 . . . . . . . . 38 D N . 27872 4
73 . 1 1 40 40 THR H H 1 8.146 . . . . . . . . 39 T H . 27872 4
74 . 1 1 40 40 THR N N 15 112.203 . . . . . . . . 39 T N . 27872 4
75 . 1 1 41 41 VAL H H 1 7.081 . . . . . . . . 40 V H . 27872 4
76 . 1 1 41 41 VAL N N 15 121.677 . . . . . . . . 40 V N . 27872 4
77 . 1 1 42 42 GLU H H 1 7.684 . . . . . . . . 41 E H . 27872 4
78 . 1 1 42 42 GLU N N 15 119.806 . . . . . . . . 41 E N . 27872 4
79 . 1 1 43 43 LEU H H 1 8.440 . . . . . . . . 42 L H . 27872 4
80 . 1 1 43 43 LEU N N 15 121.900 . . . . . . . . 42 L N . 27872 4
81 . 1 1 44 44 VAL H H 1 7.754 . . . . . . . . 43 V H . 27872 4
82 . 1 1 44 44 VAL N N 15 119.455 . . . . . . . . 43 V N . 27872 4
83 . 1 1 45 45 MET H H 1 7.641 . . . . . . . . 44 M H . 27872 4
84 . 1 1 45 45 MET N N 15 117.926 . . . . . . . . 44 M N . 27872 4
85 . 1 1 46 46 ALA H H 1 8.117 . . . . . . . . 45 A H . 27872 4
86 . 1 1 46 46 ALA N N 15 121.942 . . . . . . . . 45 A N . 27872 4
87 . 1 1 47 47 LEU H H 1 8.255 . . . . . . . . 46 L H . 27872 4
88 . 1 1 47 47 LEU N N 15 120.940 . . . . . . . . 46 L N . 27872 4
89 . 1 1 48 48 GLU H H 1 8.467 . . . . . . . . 47 E H . 27872 4
90 . 1 1 48 48 GLU N N 15 120.086 . . . . . . . . 47 E N . 27872 4
91 . 1 1 49 49 GLU H H 1 7.748 . . . . . . . . 48 E H . 27872 4
92 . 1 1 49 49 GLU N N 15 117.393 . . . . . . . . 48 E N . 27872 4
93 . 1 1 50 50 GLU H H 1 7.823 . . . . . . . . 49 E H . 27872 4
94 . 1 1 50 50 GLU N N 15 120.166 . . . . . . . . 49 E N . 27872 4
95 . 1 1 51 51 PHE H H 1 7.623 . . . . . . . . 50 F H . 27872 4
96 . 1 1 51 51 PHE N N 15 112.116 . . . . . . . . 50 F N . 27872 4
97 . 1 1 52 52 ASP H H 1 7.719 . . . . . . . . 51 D H . 27872 4
98 . 1 1 52 52 ASP N N 15 122.895 . . . . . . . . 51 D N . 27872 4
99 . 1 1 53 53 THR H H 1 7.955 . . . . . . . . 52 T H . 27872 4
100 . 1 1 53 53 THR N N 15 112.888 . . . . . . . . 52 T N . 27872 4
101 . 1 1 54 54 GLU H H 1 7.967 . . . . . . . . 53 E H . 27872 4
102 . 1 1 54 54 GLU N N 15 123.015 . . . . . . . . 53 E N . 27872 4
103 . 1 1 55 55 ILE H H 1 10.278 . . . . . . . . 54 I H . 27872 4
104 . 1 1 55 55 ILE N N 15 129.804 . . . . . . . . 54 I N . 27872 4
105 . 1 1 57 57 ASP H H 1 8.771 . . . . . . . . 56 D H . 27872 4
106 . 1 1 57 57 ASP N N 15 125.661 . . . . . . . . 56 D N . 27872 4
107 . 1 1 58 58 GLU H H 1 9.183 . . . . . . . . 57 E H . 27872 4
108 . 1 1 58 58 GLU N N 15 116.923 . . . . . . . . 57 E N . 27872 4
109 . 1 1 59 59 GLU H H 1 7.079 . . . . . . . . 58 E H . 27872 4
110 . 1 1 59 59 GLU N N 15 116.497 . . . . . . . . 58 E N . 27872 4
111 . 1 1 60 60 ALA H H 1 8.130 . . . . . . . . 59 A H . 27872 4
112 . 1 1 60 60 ALA N N 15 123.634 . . . . . . . . 59 A N . 27872 4
113 . 1 1 61 61 GLU H H 1 7.423 . . . . . . . . 60 E H . 27872 4
114 . 1 1 61 61 GLU N N 15 113.382 . . . . . . . . 60 E N . 27872 4
115 . 1 1 62 62 LYS H H 1 6.915 . . . . . . . . 61 K H . 27872 4
116 . 1 1 62 62 LYS N N 15 114.686 . . . . . . . . 61 K N . 27872 4
117 . 1 1 63 63 ILE H H 1 7.479 . . . . . . . . 62 I H . 27872 4
118 . 1 1 63 63 ILE N N 15 122.957 . . . . . . . . 62 I N . 27872 4
119 . 1 1 64 64 THR H H 1 7.765 . . . . . . . . 63 T H . 27872 4
120 . 1 1 64 64 THR N N 15 112.627 . . . . . . . . 63 T N . 27872 4
121 . 1 1 65 65 THR H H 1 7.020 . . . . . . . . 64 T H . 27872 4
122 . 1 1 65 65 THR N N 15 111.121 . . . . . . . . 64 T N . 27872 4
123 . 1 1 66 66 VAL H H 1 7.891 . . . . . . . . 65 V H . 27872 4
124 . 1 1 66 66 VAL N N 15 121.846 . . . . . . . . 65 V N . 27872 4
125 . 1 1 67 67 GLN H H 1 8.466 . . . . . . . . 66 Q H . 27872 4
126 . 1 1 67 67 GLN N N 15 118.355 . . . . . . . . 66 Q N . 27872 4
127 . 1 1 68 68 ALA H H 1 7.554 . . . . . . . . 67 A H . 27872 4
128 . 1 1 68 68 ALA N N 15 119.884 . . . . . . . . 67 A N . 27872 4
129 . 1 1 69 69 ALA H H 1 7.773 . . . . . . . . 68 A H . 27872 4
130 . 1 1 69 69 ALA N N 15 122.723 . . . . . . . . 68 A N . 27872 4
131 . 1 1 70 70 ILE H H 1 7.958 . . . . . . . . 69 I H . 27872 4
132 . 1 1 70 70 ILE N N 15 119.484 . . . . . . . . 69 I N . 27872 4
133 . 1 1 71 71 ASP H H 1 9.016 . . . . . . . . 70 D H . 27872 4
134 . 1 1 71 71 ASP N N 15 119.490 . . . . . . . . 70 D N . 27872 4
135 . 1 1 72 72 TYR H H 1 8.013 . . . . . . . . 71 Y H . 27872 4
136 . 1 1 72 72 TYR N N 15 122.036 . . . . . . . . 71 Y N . 27872 4
137 . 1 1 73 73 ILE H H 1 8.048 . . . . . . . . 72 I H . 27872 4
138 . 1 1 73 73 ILE N N 15 121.349 . . . . . . . . 72 I N . 27872 4
139 . 1 1 74 74 ASN H H 1 8.701 . . . . . . . . 73 N H . 27872 4
140 . 1 1 74 74 ASN N N 15 118.715 . . . . . . . . 73 N N . 27872 4
141 . 1 1 75 75 GLY H H 1 7.688 . . . . . . . . 74 G H . 27872 4
142 . 1 1 75 75 GLY N N 15 105.609 . . . . . . . . 74 G N . 27872 4
143 . 1 1 76 76 HIS H H 1 7.509 . . . . . . . . 75 H H . 27872 4
144 . 1 1 76 76 HIS N N 15 119.247 . . . . . . . . 75 H N . 27872 4
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_wt_AcpP_2.0eqFabB_CS
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode wt_AcpP_2.0eqFabB_CS
_Assigned_chem_shift_list.Entry_ID 27872
_Assigned_chem_shift_list.ID 5
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
5 '2D 1H-15N HSQC' . . . 27872 5
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
2 $SPARKY . . 27872 5
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.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 4 4 ILE H H 1 8.520 . . . . . . . . 3 I H . 27872 5
2 . 1 1 4 4 ILE N N 15 121.974 . . . . . . . . 3 I N . 27872 5
3 . 1 1 5 5 GLU H H 1 8.485 . . . . . . . . 4 E H . 27872 5
4 . 1 1 5 5 GLU N N 15 119.129 . . . . . . . . 4 E N . 27872 5
5 . 1 1 6 6 GLU H H 1 7.716 . . . . . . . . 5 E H . 27872 5
6 . 1 1 6 6 GLU N N 15 118.010 . . . . . . . . 5 E N . 27872 5
7 . 1 1 7 7 ARG H H 1 8.224 . . . . . . . . 6 R H . 27872 5
8 . 1 1 7 7 ARG N N 15 120.485 . . . . . . . . 6 R N . 27872 5
9 . 1 1 8 8 VAL H H 1 8.778 . . . . . . . . 7 V H . 27872 5
10 . 1 1 8 8 VAL N N 15 119.644 . . . . . . . . 7 V N . 27872 5
11 . 1 1 9 9 LYS H H 1 8.098 . . . . . . . . 8 K H . 27872 5
12 . 1 1 9 9 LYS N N 15 117.578 . . . . . . . . 8 K N . 27872 5
13 . 1 1 10 10 LYS H H 1 8.129 . . . . . . . . 9 K H . 27872 5
14 . 1 1 10 10 LYS N N 15 121.050 . . . . . . . . 9 K N . 27872 5
15 . 1 1 11 11 ILE H H 1 7.466 . . . . . . . . 10 I H . 27872 5
16 . 1 1 11 11 ILE N N 15 119.684 . . . . . . . . 10 I N . 27872 5
17 . 1 1 12 12 ILE H H 1 8.114 . . . . . . . . 11 I H . 27872 5
18 . 1 1 12 12 ILE N N 15 119.370 . . . . . . . . 11 I N . 27872 5
19 . 1 1 13 13 GLY H H 1 8.320 . . . . . . . . 12 G H . 27872 5
20 . 1 1 13 13 GLY N N 15 105.767 . . . . . . . . 12 G N . 27872 5
21 . 1 1 14 14 GLU H H 1 8.057 . . . . . . . . 13 E H . 27872 5
22 . 1 1 14 14 GLU N N 15 120.611 . . . . . . . . 13 E N . 27872 5
23 . 1 1 15 15 GLN H H 1 8.236 . . . . . . . . 14 Q H . 27872 5
24 . 1 1 15 15 GLN N N 15 117.881 . . . . . . . . 14 Q N . 27872 5
25 . 1 1 16 16 LEU H H 1 7.818 . . . . . . . . 15 L H . 27872 5
26 . 1 1 16 16 LEU N N 15 112.978 . . . . . . . . 15 L N . 27872 5
27 . 1 1 17 17 GLY H H 1 7.630 . . . . . . . . 16 G H . 27872 5
28 . 1 1 17 17 GLY N N 15 110.362 . . . . . . . . 16 G N . 27872 5
29 . 1 1 18 18 VAL H H 1 7.786 . . . . . . . . 17 V H . 27872 5
30 . 1 1 18 18 VAL N N 15 115.190 . . . . . . . . 17 V N . 27872 5
31 . 1 1 19 19 LYS H H 1 8.427 . . . . . . . . 18 K H . 27872 5
32 . 1 1 19 19 LYS N N 15 123.619 . . . . . . . . 18 K N . 27872 5
33 . 1 1 20 20 GLN H H 1 8.656 . . . . . . . . 19 Q H . 27872 5
34 . 1 1 20 20 GLN N N 15 123.176 . . . . . . . . 19 Q N . 27872 5
35 . 1 1 21 21 GLU H H 1 9.260 . . . . . . . . 20 E H . 27872 5
36 . 1 1 21 21 GLU N N 15 117.093 . . . . . . . . 20 E N . 27872 5
37 . 1 1 22 22 GLU H H 1 7.748 . . . . . . . . 21 E H . 27872 5
38 . 1 1 22 22 GLU N N 15 117.424 . . . . . . . . 21 E N . 27872 5
39 . 1 1 23 23 VAL H H 1 7.394 . . . . . . . . 22 V H . 27872 5
40 . 1 1 23 23 VAL N N 15 123.029 . . . . . . . . 22 V N . 27872 5
41 . 1 1 24 24 THR H H 1 7.213 . . . . . . . . 23 T H . 27872 5
42 . 1 1 24 24 THR N N 15 116.062 . . . . . . . . 23 T N . 27872 5
43 . 1 1 25 25 ASN H H 1 8.460 . . . . . . . . 24 N H . 27872 5
44 . 1 1 25 25 ASN N N 15 119.222 . . . . . . . . 24 N N . 27872 5
45 . 1 1 26 26 ASN H H 1 7.963 . . . . . . . . 25 N H . 27872 5
46 . 1 1 26 26 ASN N N 15 112.375 . . . . . . . . 25 N N . 27872 5
47 . 1 1 27 27 ALA H H 1 7.187 . . . . . . . . 26 A H . 27872 5
48 . 1 1 27 27 ALA N N 15 123.419 . . . . . . . . 26 A N . 27872 5
49 . 1 1 28 28 SER H H 1 9.828 . . . . . . . . 27 S H . 27872 5
50 . 1 1 28 28 SER N N 15 117.669 . . . . . . . . 27 S N . 27872 5
51 . 1 1 29 29 PHE H H 1 7.431 . . . . . . . . 28 F H . 27872 5
52 . 1 1 29 29 PHE N N 15 126.135 . . . . . . . . 28 F N . 27872 5
53 . 1 1 30 30 VAL H H 1 8.632 . . . . . . . . 29 V H . 27872 5
54 . 1 1 30 30 VAL N N 15 117.509 . . . . . . . . 29 V N . 27872 5
55 . 1 1 31 31 GLU H H 1 8.180 . . . . . . . . 30 E H . 27872 5
56 . 1 1 31 31 GLU N N 15 117.230 . . . . . . . . 30 E N . 27872 5
57 . 1 1 32 32 ASP H H 1 7.686 . . . . . . . . 31 D H . 27872 5
58 . 1 1 32 32 ASP N N 15 114.125 . . . . . . . . 31 D N . 27872 5
59 . 1 1 33 33 LEU H H 1 7.135 . . . . . . . . 32 L H . 27872 5
60 . 1 1 33 33 LEU N N 15 115.829 . . . . . . . . 32 L N . 27872 5
61 . 1 1 34 34 GLY H H 1 7.197 . . . . . . . . 33 G H . 27872 5
62 . 1 1 34 34 GLY N N 15 107.142 . . . . . . . . 33 G N . 27872 5
63 . 1 1 35 35 ALA H H 1 8.386 . . . . . . . . 34 A H . 27872 5
64 . 1 1 35 35 ALA N N 15 123.451 . . . . . . . . 34 A N . 27872 5
65 . 1 1 36 36 ASP H H 1 9.102 . . . . . . . . 35 D H . 27872 5
66 . 1 1 36 36 ASP N N 15 122.221 . . . . . . . . 35 D N . 27872 5
67 . 1 1 37 37 SER H H 1 8.545 . . . . . . . . 36 S H . 27872 5
68 . 1 1 37 37 SER N N 15 112.497 . . . . . . . . 36 S N . 27872 5
69 . 1 1 38 38 LEU H H 1 7.747 . . . . . . . . 37 L H . 27872 5
70 . 1 1 38 38 LEU N N 15 123.882 . . . . . . . . 37 L N . 27872 5
71 . 1 1 39 39 ASP H H 1 8.026 . . . . . . . . 38 D H . 27872 5
72 . 1 1 39 39 ASP N N 15 119.120 . . . . . . . . 38 D N . 27872 5
73 . 1 1 40 40 THR H H 1 8.155 . . . . . . . . 39 T H . 27872 5
74 . 1 1 40 40 THR N N 15 112.193 . . . . . . . . 39 T N . 27872 5
75 . 1 1 41 41 VAL H H 1 7.083 . . . . . . . . 40 V H . 27872 5
76 . 1 1 41 41 VAL N N 15 121.673 . . . . . . . . 40 V N . 27872 5
77 . 1 1 42 42 GLU H H 1 7.690 . . . . . . . . 41 E H . 27872 5
78 . 1 1 42 42 GLU N N 15 119.791 . . . . . . . . 41 E N . 27872 5
79 . 1 1 43 43 LEU H H 1 8.457 . . . . . . . . 42 L H . 27872 5
80 . 1 1 43 43 LEU N N 15 121.899 . . . . . . . . 42 L N . 27872 5
81 . 1 1 44 44 VAL H H 1 7.749 . . . . . . . . 43 V H . 27872 5
82 . 1 1 44 44 VAL N N 15 119.445 . . . . . . . . 43 V N . 27872 5
83 . 1 1 45 45 MET H H 1 7.646 . . . . . . . . 44 M H . 27872 5
84 . 1 1 45 45 MET N N 15 117.963 . . . . . . . . 44 M N . 27872 5
85 . 1 1 46 46 ALA H H 1 8.128 . . . . . . . . 45 A H . 27872 5
86 . 1 1 46 46 ALA N N 15 121.948 . . . . . . . . 45 A N . 27872 5
87 . 1 1 47 47 LEU H H 1 8.259 . . . . . . . . 46 L H . 27872 5
88 . 1 1 47 47 LEU N N 15 120.927 . . . . . . . . 46 L N . 27872 5
89 . 1 1 48 48 GLU H H 1 8.463 . . . . . . . . 47 E H . 27872 5
90 . 1 1 48 48 GLU N N 15 120.041 . . . . . . . . 47 E N . 27872 5
91 . 1 1 49 49 GLU H H 1 7.748 . . . . . . . . 48 E H . 27872 5
92 . 1 1 49 49 GLU N N 15 117.424 . . . . . . . . 48 E N . 27872 5
93 . 1 1 50 50 GLU H H 1 7.827 . . . . . . . . 49 E H . 27872 5
94 . 1 1 50 50 GLU N N 15 120.170 . . . . . . . . 49 E N . 27872 5
95 . 1 1 51 51 PHE H H 1 7.625 . . . . . . . . 50 F H . 27872 5
96 . 1 1 51 51 PHE N N 15 112.126 . . . . . . . . 50 F N . 27872 5
97 . 1 1 52 52 ASP H H 1 7.722 . . . . . . . . 51 D H . 27872 5
98 . 1 1 52 52 ASP N N 15 122.894 . . . . . . . . 51 D N . 27872 5
99 . 1 1 53 53 THR H H 1 7.963 . . . . . . . . 52 T H . 27872 5
100 . 1 1 53 53 THR N N 15 112.907 . . . . . . . . 52 T N . 27872 5
101 . 1 1 54 54 GLU H H 1 7.969 . . . . . . . . 53 E H . 27872 5
102 . 1 1 54 54 GLU N N 15 123.004 . . . . . . . . 53 E N . 27872 5
103 . 1 1 55 55 ILE H H 1 10.284 . . . . . . . . 54 I H . 27872 5
104 . 1 1 55 55 ILE N N 15 129.843 . . . . . . . . 54 I N . 27872 5
105 . 1 1 57 57 ASP H H 1 8.772 . . . . . . . . 56 D H . 27872 5
106 . 1 1 57 57 ASP N N 15 125.632 . . . . . . . . 56 D N . 27872 5
107 . 1 1 58 58 GLU H H 1 9.191 . . . . . . . . 57 E H . 27872 5
108 . 1 1 58 58 GLU N N 15 116.945 . . . . . . . . 57 E N . 27872 5
109 . 1 1 59 59 GLU H H 1 7.082 . . . . . . . . 58 E H . 27872 5
110 . 1 1 59 59 GLU N N 15 116.508 . . . . . . . . 58 E N . 27872 5
111 . 1 1 60 60 ALA H H 1 8.143 . . . . . . . . 59 A H . 27872 5
112 . 1 1 60 60 ALA N N 15 123.680 . . . . . . . . 59 A N . 27872 5
113 . 1 1 61 61 GLU H H 1 7.426 . . . . . . . . 60 E H . 27872 5
114 . 1 1 61 61 GLU N N 15 113.445 . . . . . . . . 60 E N . 27872 5
115 . 1 1 62 62 LYS H H 1 6.920 . . . . . . . . 61 K H . 27872 5
116 . 1 1 62 62 LYS N N 15 114.699 . . . . . . . . 61 K N . 27872 5
117 . 1 1 63 63 ILE H H 1 7.482 . . . . . . . . 62 I H . 27872 5
118 . 1 1 63 63 ILE N N 15 122.933 . . . . . . . . 62 I N . 27872 5
119 . 1 1 64 64 THR H H 1 7.750 . . . . . . . . 63 T H . 27872 5
120 . 1 1 64 64 THR N N 15 112.606 . . . . . . . . 63 T N . 27872 5
121 . 1 1 65 65 THR H H 1 7.016 . . . . . . . . 64 T H . 27872 5
122 . 1 1 65 65 THR N N 15 111.133 . . . . . . . . 64 T N . 27872 5
123 . 1 1 66 66 VAL H H 1 7.898 . . . . . . . . 65 V H . 27872 5
124 . 1 1 66 66 VAL N N 15 121.838 . . . . . . . . 65 V N . 27872 5
125 . 1 1 67 67 GLN H H 1 8.460 . . . . . . . . 66 Q H . 27872 5
126 . 1 1 67 67 GLN N N 15 118.348 . . . . . . . . 66 Q N . 27872 5
127 . 1 1 68 68 ALA H H 1 7.546 . . . . . . . . 67 A H . 27872 5
128 . 1 1 68 68 ALA N N 15 119.907 . . . . . . . . 67 A N . 27872 5
129 . 1 1 69 69 ALA H H 1 7.771 . . . . . . . . 68 A H . 27872 5
130 . 1 1 69 69 ALA N N 15 122.657 . . . . . . . . 68 A N . 27872 5
131 . 1 1 70 70 ILE H H 1 7.959 . . . . . . . . 69 I H . 27872 5
132 . 1 1 70 70 ILE N N 15 119.472 . . . . . . . . 69 I N . 27872 5
133 . 1 1 71 71 ASP H H 1 9.019 . . . . . . . . 70 D H . 27872 5
134 . 1 1 71 71 ASP N N 15 119.476 . . . . . . . . 70 D N . 27872 5
135 . 1 1 72 72 TYR H H 1 8.015 . . . . . . . . 71 Y H . 27872 5
136 . 1 1 72 72 TYR N N 15 122.010 . . . . . . . . 71 Y N . 27872 5
137 . 1 1 73 73 ILE H H 1 8.049 . . . . . . . . 72 I H . 27872 5
138 . 1 1 73 73 ILE N N 15 121.349 . . . . . . . . 72 I N . 27872 5
139 . 1 1 74 74 ASN H H 1 8.703 . . . . . . . . 73 N H . 27872 5
140 . 1 1 74 74 ASN N N 15 118.715 . . . . . . . . 73 N N . 27872 5
141 . 1 1 75 75 GLY H H 1 7.689 . . . . . . . . 74 G H . 27872 5
142 . 1 1 75 75 GLY N N 15 105.616 . . . . . . . . 74 G N . 27872 5
143 . 1 1 76 76 HIS H H 1 7.512 . . . . . . . . 75 H H . 27872 5
144 . 1 1 76 76 HIS N N 15 119.241 . . . . . . . . 75 H N . 27872 5
stop_
save_