###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 51580
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Q1E_pH74
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D HNCO' . . . 51580 1
2 '3D HN(CA)CO' . . . 51580 1
3 '3D HN(CO)CA' . . . 51580 1
4 '3D HNCA' . . . 51580 1
5 '3D HN(CO)CACB' . . . 51580 1
6 '2D CACO' . . . 51580 1
7 '2D CON' . . . 51580 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 51580 1
2 $software_2 . . 51580 1
3 $software_3 . . 51580 1
4 $software_4 . . 51580 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 PRO C C 13 177.480 0.000 . 1 . . . . . 51 PRO C . 51580 1
2 . 1 . 1 3 3 PRO CA C 13 63.336 0.000 . 1 . . . . . 51 PRO CA . 51580 1
3 . 1 . 1 3 3 PRO CB C 13 32.116 0.000 . 1 . . . . . 51 PRO CB . 51580 1
4 . 1 . 1 4 4 GLY H H 1 8.668 0.002 . 1 . . . . . 52 GLY H . 51580 1
5 . 1 . 1 4 4 GLY C C 13 174.078 0.000 . 1 . . . . . 52 GLY C . 51580 1
6 . 1 . 1 4 4 GLY CA C 13 45.132 0.000 . 1 . . . . . 52 GLY CA . 51580 1
7 . 1 . 1 4 4 GLY N N 15 109.929 0.005 . 1 . . . . . 52 GLY N . 51580 1
8 . 1 . 1 5 5 ALA H H 1 8.324 0.001 . 1 . . . . . 53 ALA H . 51580 1
9 . 1 . 1 5 5 ALA C C 13 178.395 0.000 . 1 . . . . . 53 ALA C . 51580 1
10 . 1 . 1 5 5 ALA CA C 13 53.032 0.000 . 1 . . . . . 53 ALA CA . 51580 1
11 . 1 . 1 5 5 ALA CB C 13 19.346 0.000 . 1 . . . . . 53 ALA CB . 51580 1
12 . 1 . 1 5 5 ALA N N 15 123.930 0.012 . 1 . . . . . 53 ALA N . 51580 1
13 . 1 . 1 6 6 SER H H 1 8.508 0.001 . 1 . . . . . 54 SER H . 51580 1
14 . 1 . 1 6 6 SER C C 13 175.167 0.000 . 1 . . . . . 54 SER C . 51580 1
15 . 1 . 1 6 6 SER CA C 13 58.734 0.000 . 1 . . . . . 54 SER CA . 51580 1
16 . 1 . 1 6 6 SER CB C 13 63.501 0.000 . 1 . . . . . 54 SER CB . 51580 1
17 . 1 . 1 6 6 SER N N 15 115.290 0.008 . 1 . . . . . 54 SER N . 51580 1
18 . 1 . 1 7 7 LEU H H 1 8.358 0.000 . 1 . . . . . 55 LEU H . 51580 1
19 . 1 . 1 7 7 LEU C C 13 178.051 0.000 . 1 . . . . . 55 LEU C . 51580 1
20 . 1 . 1 7 7 LEU CA C 13 56.103 0.000 . 1 . . . . . 55 LEU CA . 51580 1
21 . 1 . 1 7 7 LEU CB C 13 41.864 0.000 . 1 . . . . . 55 LEU CB . 51580 1
22 . 1 . 1 7 7 LEU N N 15 124.634 0.004 . 1 . . . . . 55 LEU N . 51580 1
23 . 1 . 1 8 8 LEU H H 1 8.142 0.000 . 1 . . . . . 56 LEU H . 51580 1
24 . 1 . 1 8 8 LEU C C 13 178.061 0.000 . 1 . . . . . 56 LEU C . 51580 1
25 . 1 . 1 8 8 LEU CA C 13 56.106 0.000 . 1 . . . . . 56 LEU CA . 51580 1
26 . 1 . 1 8 8 LEU CB C 13 41.975 0.000 . 1 . . . . . 56 LEU CB . 51580 1
27 . 1 . 1 8 8 LEU N N 15 121.614 0.005 . 1 . . . . . 56 LEU N . 51580 1
28 . 1 . 1 9 9 LEU H H 1 8.069 0.000 . 1 . . . . . 57 LEU H . 51580 1
29 . 1 . 1 9 9 LEU C C 13 178.389 0.000 . 1 . . . . . 57 LEU C . 51580 1
30 . 1 . 1 9 9 LEU CA C 13 56.257 0.000 . 1 . . . . . 57 LEU CA . 51580 1
31 . 1 . 1 9 9 LEU CB C 13 41.877 0.000 . 1 . . . . . 57 LEU CB . 51580 1
32 . 1 . 1 9 9 LEU N N 15 121.867 0.004 . 1 . . . . . 57 LEU N . 51580 1
33 . 1 . 1 10 10 LEU H H 1 8.146 0.000 . 1 . . . . . 58 LEU H . 51580 1
34 . 1 . 1 10 10 LEU C C 13 178.775 0.000 . 1 . . . . . 58 LEU C . 51580 1
35 . 1 . 1 10 10 LEU CA C 13 56.807 0.000 . 1 . . . . . 58 LEU CA . 51580 1
36 . 1 . 1 10 10 LEU CB C 13 41.883 0.000 . 1 . . . . . 58 LEU CB . 51580 1
37 . 1 . 1 10 10 LEU N N 15 121.562 0.005 . 1 . . . . . 58 LEU N . 51580 1
38 . 1 . 1 11 11 GLU H H 1 8.351 0.000 . 1 . . . . . 59 GLU H . 51580 1
39 . 1 . 1 11 11 GLU C C 13 178.191 0.000 . 1 . . . . . 59 GLU C . 51580 1
40 . 1 . 1 11 11 GLU CA C 13 58.314 0.000 . 1 . . . . . 59 GLU CA . 51580 1
41 . 1 . 1 11 11 GLU CB C 13 29.662 0.000 . 1 . . . . . 59 GLU CB . 51580 1
42 . 1 . 1 11 11 GLU N N 15 120.277 0.007 . 1 . . . . . 59 GLU N . 51580 1
43 . 1 . 1 12 12 GLN H H 1 8.298 0.000 . 1 . . . . . 60 GLN H . 51580 1
44 . 1 . 1 12 12 GLN HE21 H 1 7.604 0.001 . 1 . . . . . 60 GLN HE21 . 51580 1
45 . 1 . 1 12 12 GLN C C 13 177.798 0.000 . 1 . . . . . 60 GLN C . 51580 1
46 . 1 . 1 12 12 GLN CA C 13 57.680 0.043 . 1 . . . . . 60 GLN CA . 51580 1
47 . 1 . 1 12 12 GLN CB C 13 28.754 0.000 . 1 . . . . . 60 GLN CB . 51580 1
48 . 1 . 1 12 12 GLN N N 15 120.147 0.004 . 1 . . . . . 60 GLN N . 51580 1
49 . 1 . 1 12 12 GLN NE2 N 15 112.072 0.005 . 1 . . . . . 60 GLN NE2 . 51580 1
50 . 1 . 1 13 13 GLN H H 1 8.423 0.001 . 1 . . . . . 61 GLN H . 51580 1
51 . 1 . 1 13 13 GLN HE21 H 1 7.645 0.000 . 1 . . . . . 61 GLN HE21 . 51580 1
52 . 1 . 1 13 13 GLN C C 13 177.772 0.000 . 1 . . . . . 61 GLN C . 51580 1
53 . 1 . 1 13 13 GLN CA C 13 57.622 0.002 . 1 . . . . . 61 GLN CA . 51580 1
54 . 1 . 1 13 13 GLN CB C 13 28.746 0.000 . 1 . . . . . 61 GLN CB . 51580 1
55 . 1 . 1 13 13 GLN N N 15 120.409 0.004 . 1 . . . . . 61 GLN N . 51580 1
56 . 1 . 1 13 13 GLN NE2 N 15 112.326 0.006 . 1 . . . . . 61 GLN NE2 . 51580 1
57 . 1 . 1 14 14 GLN H H 1 8.407 0.001 . 1 . . . . . 62 GLN H . 51580 1
58 . 1 . 1 14 14 GLN HE21 H 1 7.616 0.000 . 1 . . . . . 62 GLN HE21 . 51580 1
59 . 1 . 1 14 14 GLN C C 13 177.600 0.000 . 1 . . . . . 62 GLN C . 51580 1
60 . 1 . 1 14 14 GLN CA C 13 57.495 0.001 . 1 . . . . . 62 GLN CA . 51580 1
61 . 1 . 1 14 14 GLN CB C 13 28.724 0.000 . 1 . . . . . 62 GLN CB . 51580 1
62 . 1 . 1 14 14 GLN N N 15 120.400 0.004 . 1 . . . . . 62 GLN N . 51580 1
63 . 1 . 1 14 14 GLN NE2 N 15 112.332 0.005 . 1 . . . . . 62 GLN NE2 . 51580 1
64 . 1 . 1 15 15 GLN H H 1 8.349 0.000 . 1 . . . . . 63 GLN H . 51580 1
65 . 1 . 1 15 15 GLN HE21 H 1 7.648 0.000 . 1 . . . . . 63 GLN HE21 . 51580 1
66 . 1 . 1 15 15 GLN C C 13 177.529 0.000 . 1 . . . . . 63 GLN C . 51580 1
67 . 1 . 1 15 15 GLN CA C 13 57.471 0.003 . 1 . . . . . 63 GLN CA . 51580 1
68 . 1 . 1 15 15 GLN CB C 13 28.742 0.000 . 1 . . . . . 63 GLN CB . 51580 1
69 . 1 . 1 15 15 GLN N N 15 120.455 0.005 . 1 . . . . . 63 GLN N . 51580 1
70 . 1 . 1 15 15 GLN NE2 N 15 112.500 0.004 . 1 . . . . . 63 GLN NE2 . 51580 1
71 . 1 . 1 16 16 GLN H H 1 8.346 0.000 . 1 . . . . . 64 GLN H . 51580 1
72 . 1 . 1 16 16 GLN HE21 H 1 7.627 0.000 . 1 . . . . . 64 GLN HE21 . 51580 1
73 . 1 . 1 16 16 GLN C C 13 177.403 0.000 . 1 . . . . . 64 GLN C . 51580 1
74 . 1 . 1 16 16 GLN CA C 13 57.413 0.005 . 1 . . . . . 64 GLN CA . 51580 1
75 . 1 . 1 16 16 GLN CB C 13 28.750 0.000 . 1 . . . . . 64 GLN CB . 51580 1
76 . 1 . 1 16 16 GLN N N 15 120.403 0.005 . 1 . . . . . 64 GLN N . 51580 1
77 . 1 . 1 16 16 GLN NE2 N 15 112.447 0.005 . 1 . . . . . 64 GLN NE2 . 51580 1
78 . 1 . 1 17 17 GLN H H 1 8.354 0.000 . 1 . . . . . 65 GLN H . 51580 1
79 . 1 . 1 17 17 GLN HE21 H 1 7.622 0.000 . 1 . . . . . 65 GLN HE21 . 51580 1
80 . 1 . 1 17 17 GLN C C 13 177.336 0.000 . 1 . . . . . 65 GLN C . 51580 1
81 . 1 . 1 17 17 GLN CA C 13 57.338 0.004 . 1 . . . . . 65 GLN CA . 51580 1
82 . 1 . 1 17 17 GLN CB C 13 28.766 0.000 . 1 . . . . . 65 GLN CB . 51580 1
83 . 1 . 1 17 17 GLN N N 15 120.463 0.005 . 1 . . . . . 65 GLN N . 51580 1
84 . 1 . 1 17 17 GLN NE2 N 15 112.459 0.004 . 1 . . . . . 65 GLN NE2 . 51580 1
85 . 1 . 1 18 18 GLN H H 1 8.368 0.000 . 1 . . . . . 66 GLN H . 51580 1
86 . 1 . 1 18 18 GLN HE21 H 1 7.623 0.000 . 1 . . . . . 66 GLN HE21 . 51580 1
87 . 1 . 1 18 18 GLN C C 13 177.269 0.000 . 1 . . . . . 66 GLN C . 51580 1
88 . 1 . 1 18 18 GLN CA C 13 57.284 0.000 . 1 . . . . . 66 GLN CA . 51580 1
89 . 1 . 1 18 18 GLN CB C 13 28.783 0.000 . 1 . . . . . 66 GLN CB . 51580 1
90 . 1 . 1 18 18 GLN N N 15 120.511 0.004 . 1 . . . . . 66 GLN N . 51580 1
91 . 1 . 1 18 18 GLN NE2 N 15 112.488 0.005 . 1 . . . . . 66 GLN NE2 . 51580 1
92 . 1 . 1 19 19 GLN H H 1 8.377 0.000 . 1 . . . . . 67 GLN H . 51580 1
93 . 1 . 1 19 19 GLN HE21 H 1 7.623 0.000 . 1 . . . . . 67 GLN HE21 . 51580 1
94 . 1 . 1 19 19 GLN C C 13 177.176 0.000 . 1 . . . . . 67 GLN C . 51580 1
95 . 1 . 1 19 19 GLN CA C 13 57.191 0.004 . 1 . . . . . 67 GLN CA . 51580 1
96 . 1 . 1 19 19 GLN CB C 13 28.791 0.000 . 1 . . . . . 67 GLN CB . 51580 1
97 . 1 . 1 19 19 GLN N N 15 120.544 0.005 . 1 . . . . . 67 GLN N . 51580 1
98 . 1 . 1 19 19 GLN NE2 N 15 112.530 0.005 . 1 . . . . . 67 GLN NE2 . 51580 1
99 . 1 . 1 20 20 GLN H H 1 8.383 0.000 . 1 . . . . . 68 GLN H . 51580 1
100 . 1 . 1 20 20 GLN HE21 H 1 7.626 0.000 . 1 . . . . . 68 GLN HE21 . 51580 1
101 . 1 . 1 20 20 GLN C C 13 177.074 0.000 . 1 . . . . . 68 GLN C . 51580 1
102 . 1 . 1 20 20 GLN CA C 13 56.979 0.000 . 1 . . . . . 68 GLN CA . 51580 1
103 . 1 . 1 20 20 GLN CB C 13 28.943 0.000 . 1 . . . . . 68 GLN CB . 51580 1
104 . 1 . 1 20 20 GLN N N 15 120.563 0.005 . 1 . . . . . 68 GLN N . 51580 1
105 . 1 . 1 20 20 GLN NE2 N 15 112.619 0.005 . 1 . . . . . 68 GLN NE2 . 51580 1
106 . 1 . 1 21 21 GLN H H 1 8.393 0.000 . 1 . . . . . 69 GLN H . 51580 1
107 . 1 . 1 21 21 GLN HE21 H 1 7.628 0.001 . 1 . . . . . 69 GLN HE21 . 51580 1
108 . 1 . 1 21 21 GLN C C 13 176.945 0.000 . 1 . . . . . 69 GLN C . 51580 1
109 . 1 . 1 21 21 GLN CA C 13 56.922 0.000 . 1 . . . . . 69 GLN CA . 51580 1
110 . 1 . 1 21 21 GLN CB C 13 28.969 0.000 . 1 . . . . . 69 GLN CB . 51580 1
111 . 1 . 1 21 21 GLN N N 15 120.630 0.004 . 1 . . . . . 69 GLN N . 51580 1
112 . 1 . 1 21 21 GLN NE2 N 15 112.672 0.005 . 1 . . . . . 69 GLN NE2 . 51580 1
113 . 1 . 1 22 22 GLN H H 1 8.405 0.000 . 1 . . . . . 70 GLN H . 51580 1
114 . 1 . 1 22 22 GLN HE21 H 1 7.629 0.001 . 1 . . . . . 70 GLN HE21 . 51580 1
115 . 1 . 1 22 22 GLN C C 13 176.832 0.000 . 1 . . . . . 70 GLN C . 51580 1
116 . 1 . 1 22 22 GLN CA C 13 56.759 0.001 . 1 . . . . . 70 GLN CA . 51580 1
117 . 1 . 1 22 22 GLN CB C 13 28.980 0.000 . 1 . . . . . 70 GLN CB . 51580 1
118 . 1 . 1 22 22 GLN N N 15 120.684 0.005 . 1 . . . . . 70 GLN N . 51580 1
119 . 1 . 1 22 22 GLN NE2 N 15 112.715 0.004 . 1 . . . . . 70 GLN NE2 . 51580 1
120 . 1 . 1 23 23 GLN H H 1 8.416 0.001 . 1 . . . . . 71 GLN H . 51580 1
121 . 1 . 1 23 23 GLN HE21 H 1 7.634 0.000 . 1 . . . . . 71 GLN HE21 . 51580 1
122 . 1 . 1 23 23 GLN C C 13 176.669 0.000 . 1 . . . . . 71 GLN C . 51580 1
123 . 1 . 1 23 23 GLN CA C 13 56.547 0.001 . 1 . . . . . 71 GLN CA . 51580 1
124 . 1 . 1 23 23 GLN CB C 13 29.079 0.000 . 1 . . . . . 71 GLN CB . 51580 1
125 . 1 . 1 23 23 GLN N N 15 120.718 0.004 . 1 . . . . . 71 GLN N . 51580 1
126 . 1 . 1 23 23 GLN NE2 N 15 112.788 0.004 . 1 . . . . . 71 GLN NE2 . 51580 1
127 . 1 . 1 24 24 GLN H H 1 8.426 0.000 . 1 . . . . . 72 GLN H . 51580 1
128 . 1 . 1 24 24 GLN HE21 H 1 7.640 0.000 . 1 . . . . . 72 GLN HE21 . 51580 1
129 . 1 . 1 24 24 GLN C C 13 176.393 0.000 . 1 . . . . . 72 GLN C . 51580 1
130 . 1 . 1 24 24 GLN CA C 13 56.282 0.001 . 1 . . . . . 72 GLN CA . 51580 1
131 . 1 . 1 24 24 GLN CB C 13 29.197 0.000 . 1 . . . . . 72 GLN CB . 51580 1
132 . 1 . 1 24 24 GLN N N 15 120.842 0.004 . 1 . . . . . 72 GLN N . 51580 1
133 . 1 . 1 24 24 GLN NE2 N 15 112.908 0.004 . 1 . . . . . 72 GLN NE2 . 51580 1
134 . 1 . 1 25 25 GLN H H 1 8.433 0.001 . 1 . . . . . 73 GLN H . 51580 1
135 . 1 . 1 25 25 GLN HE21 H 1 7.646 0.000 . 1 . . . . . 73 GLN HE21 . 51580 1
136 . 1 . 1 25 25 GLN C C 13 176.103 0.000 . 1 . . . . . 73 GLN C . 51580 1
137 . 1 . 1 25 25 GLN CA C 13 56.049 0.004 . 1 . . . . . 73 GLN CA . 51580 1
138 . 1 . 1 25 25 GLN CB C 13 29.358 0.000 . 1 . . . . . 73 GLN CB . 51580 1
139 . 1 . 1 25 25 GLN N N 15 121.025 0.004 . 1 . . . . . 73 GLN N . 51580 1
140 . 1 . 1 25 25 GLN NE2 N 15 112.985 0.004 . 1 . . . . . 73 GLN NE2 . 51580 1
141 . 1 . 1 26 26 GLN H H 1 8.446 0.000 . 1 . . . . . 74 GLN H . 51580 1
142 . 1 . 1 26 26 GLN HE21 H 1 7.659 0.000 . 1 . . . . . 74 GLN HE21 . 51580 1
143 . 1 . 1 26 26 GLN C C 13 175.855 0.000 . 1 . . . . . 74 GLN C . 51580 1
144 . 1 . 1 26 26 GLN CA C 13 55.868 0.001 . 1 . . . . . 74 GLN CA . 51580 1
145 . 1 . 1 26 26 GLN CB C 13 29.408 0.000 . 1 . . . . . 74 GLN CB . 51580 1
146 . 1 . 1 26 26 GLN N N 15 121.625 0.005 . 1 . . . . . 74 GLN N . 51580 1
147 . 1 . 1 26 26 GLN NE2 N 15 113.119 0.006 . 1 . . . . . 74 GLN NE2 . 51580 1
148 . 1 . 1 27 27 LYS H H 1 8.428 0.000 . 1 . . . . . 75 LYS H . 51580 1
149 . 1 . 1 27 27 LYS C C 13 176.012 0.000 . 1 . . . . . 75 LYS C . 51580 1
150 . 1 . 1 27 27 LYS CA C 13 56.322 0.000 . 1 . . . . . 75 LYS CA . 51580 1
151 . 1 . 1 27 27 LYS CB C 13 33.111 0.000 . 1 . . . . . 75 LYS CB . 51580 1
152 . 1 . 1 27 27 LYS N N 15 123.611 0.005 . 1 . . . . . 75 LYS N . 51580 1
153 . 1 . 1 28 28 LYS H H 1 8.417 0.001 . 1 . . . . . 76 LYS H . 51580 1
154 . 1 . 1 28 28 LYS C C 13 175.177 0.000 . 1 . . . . . 76 LYS C . 51580 1
155 . 1 . 1 28 28 LYS CA C 13 56.076 0.000 . 1 . . . . . 76 LYS CA . 51580 1
156 . 1 . 1 28 28 LYS CB C 13 33.257 0.000 . 1 . . . . . 76 LYS CB . 51580 1
157 . 1 . 1 28 28 LYS N N 15 123.807 0.005 . 1 . . . . . 76 LYS N . 51580 1
158 . 1 . 1 29 29 TYR H H 1 7.881 0.001 . 1 . . . . . 77 TYR H . 51580 1
159 . 1 . 1 29 29 TYR C C 13 173.462 0.000 . 1 . . . . . 77 TYR C . 51580 1
160 . 1 . 1 29 29 TYR N N 15 114.401 0.005 . 1 . . . . . 77 TYR N . 51580 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 51580
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name Q1E_pH28
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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
8 '3D HNCO' . . . 51580 2
9 '3D HN(CA)CO' . . . 51580 2
10 '3D HN(CO)CA' . . . 51580 2
11 '3D HNCA' . . . 51580 2
12 '3D HN(CO)CACB' . . . 51580 2
13 '2D CON' . . . 51580 2
14 '2D CACO' . . . 51580 2
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 51580 2
2 $software_2 . . 51580 2
3 $software_3 . . 51580 2
4 $software_4 . . 51580 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 LYS C C 13 172.543 0.000 . 1 . . . . . 49 LYS C . 51580 2
2 . 1 . 1 1 1 LYS CA C 13 55.496 0.000 . 1 . . . . . 49 LYS CA . 51580 2
3 . 1 . 1 1 1 LYS CB C 13 33.292 0.000 . 1 . . . . . 49 LYS CB . 51580 2
4 . 1 . 1 2 2 LYS H H 1 8.916 0.001 . 1 . . . . . 50 LYS H . 51580 2
5 . 1 . 1 2 2 LYS C C 13 174.426 0.000 . 1 . . . . . 50 LYS C . 51580 2
6 . 1 . 1 2 2 LYS N N 15 125.743 0.001 . 1 . . . . . 50 LYS N . 51580 2
7 . 1 . 1 3 3 PRO C C 13 177.355 0.000 . 1 . . . . . 51 PRO C . 51580 2
8 . 1 . 1 3 3 PRO CA C 13 63.297 0.000 . 1 . . . . . 51 PRO CA . 51580 2
9 . 1 . 1 3 3 PRO CB C 13 32.242 0.000 . 1 . . . . . 51 PRO CB . 51580 2
10 . 1 . 1 4 4 GLY H H 1 8.600 0.001 . 1 . . . . . 52 GLY H . 51580 2
11 . 1 . 1 4 4 GLY C C 13 173.990 0.001 . 1 . . . . . 52 GLY C . 51580 2
12 . 1 . 1 4 4 GLY CA C 13 44.988 0.000 . 1 . . . . . 52 GLY CA . 51580 2
13 . 1 . 1 4 4 GLY N N 15 109.537 0.001 . 1 . . . . . 52 GLY N . 51580 2
14 . 1 . 1 5 5 ALA H H 1 8.358 0.001 . 1 . . . . . 53 ALA H . 51580 2
15 . 1 . 1 5 5 ALA C C 13 178.571 0.002 . 1 . . . . . 53 ALA C . 51580 2
16 . 1 . 1 5 5 ALA CA C 13 53.271 0.000 . 1 . . . . . 53 ALA CA . 51580 2
17 . 1 . 1 5 5 ALA CB C 13 19.253 0.000 . 1 . . . . . 53 ALA CB . 51580 2
18 . 1 . 1 5 5 ALA N N 15 123.807 0.001 . 1 . . . . . 53 ALA N . 51580 2
19 . 1 . 1 6 6 SER H H 1 8.483 0.001 . 1 . . . . . 54 SER H . 51580 2
20 . 1 . 1 6 6 SER C C 13 175.361 0.000 . 1 . . . . . 54 SER C . 51580 2
21 . 1 . 1 6 6 SER CA C 13 58.990 0.000 . 1 . . . . . 54 SER CA . 51580 2
22 . 1 . 1 6 6 SER CB C 13 63.335 0.000 . 1 . . . . . 54 SER CB . 51580 2
23 . 1 . 1 6 6 SER N N 15 115.161 0.000 . 1 . . . . . 54 SER N . 51580 2
24 . 1 . 1 7 7 LEU H H 1 8.321 0.001 . 1 . . . . . 55 LEU H . 51580 2
25 . 1 . 1 7 7 LEU C C 13 178.330 0.000 . 1 . . . . . 55 LEU C . 51580 2
26 . 1 . 1 7 7 LEU CA C 13 56.841 0.000 . 1 . . . . . 55 LEU CA . 51580 2
27 . 1 . 1 7 7 LEU CB C 13 41.721 0.000 . 1 . . . . . 55 LEU CB . 51580 2
28 . 1 . 1 7 7 LEU N N 15 124.876 0.001 . 1 . . . . . 55 LEU N . 51580 2
29 . 1 . 1 8 8 LEU H H 1 8.042 0.001 . 1 . . . . . 56 LEU H . 51580 2
30 . 1 . 1 8 8 LEU C C 13 178.683 0.002 . 1 . . . . . 56 LEU C . 51580 2
31 . 1 . 1 8 8 LEU CA C 13 56.965 0.000 . 1 . . . . . 56 LEU CA . 51580 2
32 . 1 . 1 8 8 LEU CB C 13 41.834 0.000 . 1 . . . . . 56 LEU CB . 51580 2
33 . 1 . 1 8 8 LEU N N 15 120.461 0.001 . 1 . . . . . 56 LEU N . 51580 2
34 . 1 . 1 9 9 LEU H H 1 7.902 0.001 . 1 . . . . . 57 LEU H . 51580 2
35 . 1 . 1 9 9 LEU C C 13 178.842 0.001 . 1 . . . . . 57 LEU C . 51580 2
36 . 1 . 1 9 9 LEU CA C 13 56.976 0.000 . 1 . . . . . 57 LEU CA . 51580 2
37 . 1 . 1 9 9 LEU CB C 13 41.670 0.000 . 1 . . . . . 57 LEU CB . 51580 2
38 . 1 . 1 9 9 LEU N N 15 120.917 0.001 . 1 . . . . . 57 LEU N . 51580 2
39 . 1 . 1 10 10 LEU H H 1 8.031 0.000 . 1 . . . . . 58 LEU H . 51580 2
40 . 1 . 1 10 10 LEU C C 13 179.243 0.000 . 1 . . . . . 58 LEU C . 51580 2
41 . 1 . 1 10 10 LEU CA C 13 57.212 0.000 . 1 . . . . . 58 LEU CA . 51580 2
42 . 1 . 1 10 10 LEU CB C 13 41.771 0.000 . 1 . . . . . 58 LEU CB . 51580 2
43 . 1 . 1 10 10 LEU N N 15 121.054 0.001 . 1 . . . . . 58 LEU N . 51580 2
44 . 1 . 1 11 11 GLU H H 1 8.324 0.001 . 1 . . . . . 59 GLU H . 51580 2
45 . 1 . 1 11 11 GLU C C 13 178.254 0.001 . 1 . . . . . 59 GLU C . 51580 2
46 . 1 . 1 11 11 GLU CA C 13 57.941 0.000 . 1 . . . . . 59 GLU CA . 51580 2
47 . 1 . 1 11 11 GLU CB C 13 27.895 0.000 . 1 . . . . . 59 GLU CB . 51580 2
48 . 1 . 1 11 11 GLU N N 15 119.290 0.001 . 1 . . . . . 59 GLU N . 51580 2
49 . 1 . 1 12 12 GLN H H 1 8.320 0.000 . 1 . . . . . 60 GLN H . 51580 2
50 . 1 . 1 12 12 GLN HE21 H 1 7.605 0.000 . 1 . . . . . 60 GLN HE21 . 51580 2
51 . 1 . 1 12 12 GLN C C 13 178.164 0.001 . 1 . . . . . 60 GLN C . 51580 2
52 . 1 . 1 12 12 GLN CA C 13 58.130 0.012 . 1 . . . . . 60 GLN CA . 51580 2
53 . 1 . 1 12 12 GLN CB C 13 28.598 0.000 . 1 . . . . . 60 GLN CB . 51580 2
54 . 1 . 1 12 12 GLN N N 15 120.412 0.001 . 1 . . . . . 60 GLN N . 51580 2
55 . 1 . 1 12 12 GLN NE2 N 15 111.641 0.001 . 1 . . . . . 60 GLN NE2 . 51580 2
56 . 1 . 1 13 13 GLN H H 1 8.420 0.000 . 1 . . . . . 61 GLN H . 51580 2
57 . 1 . 1 13 13 GLN HE21 H 1 7.607 0.001 . 1 . . . . . 61 GLN HE21 . 51580 2
58 . 1 . 1 13 13 GLN C C 13 178.123 0.002 . 1 . . . . . 61 GLN C . 51580 2
59 . 1 . 1 13 13 GLN CA C 13 58.034 0.005 . 1 . . . . . 61 GLN CA . 51580 2
60 . 1 . 1 13 13 GLN CB C 13 28.526 0.000 . 1 . . . . . 61 GLN CB . 51580 2
61 . 1 . 1 13 13 GLN N N 15 120.310 0.002 . 1 . . . . . 61 GLN N . 51580 2
62 . 1 . 1 13 13 GLN NE2 N 15 111.862 0.011 . 1 . . . . . 61 GLN NE2 . 51580 2
63 . 1 . 1 14 14 GLN H H 1 8.386 0.000 . 1 . . . . . 62 GLN H . 51580 2
64 . 1 . 1 14 14 GLN HE21 H 1 7.607 0.001 . 1 . . . . . 62 GLN HE21 . 51580 2
65 . 1 . 1 14 14 GLN C C 13 177.893 0.000 . 1 . . . . . 62 GLN C . 51580 2
66 . 1 . 1 14 14 GLN CA C 13 57.927 0.063 . 1 . . . . . 62 GLN CA . 51580 2
67 . 1 . 1 14 14 GLN CB C 13 28.562 0.000 . 1 . . . . . 62 GLN CB . 51580 2
68 . 1 . 1 14 14 GLN N N 15 120.206 0.000 . 1 . . . . . 62 GLN N . 51580 2
69 . 1 . 1 14 14 GLN NE2 N 15 112.046 0.011 . 1 . . . . . 62 GLN NE2 . 51580 2
70 . 1 . 1 15 15 GLN H H 1 8.297 0.001 . 1 . . . . . 63 GLN H . 51580 2
71 . 1 . 1 15 15 GLN HE21 H 1 7.609 0.005 . 1 . . . . . 63 GLN HE21 . 51580 2
72 . 1 . 1 15 15 GLN C C 13 177.741 0.000 . 1 . . . . . 63 GLN C . 51580 2
73 . 1 . 1 15 15 GLN CA C 13 57.767 0.002 . 1 . . . . . 63 GLN CA . 51580 2
74 . 1 . 1 15 15 GLN CB C 13 28.616 0.000 . 1 . . . . . 63 GLN CB . 51580 2
75 . 1 . 1 15 15 GLN N N 15 120.245 0.003 . 1 . . . . . 63 GLN N . 51580 2
76 . 1 . 1 15 15 GLN NE2 N 15 112.300 0.034 . 1 . . . . . 63 GLN NE2 . 51580 2
77 . 1 . 1 16 16 GLN H H 1 8.306 0.000 . 1 . . . . . 64 GLN H . 51580 2
78 . 1 . 1 16 16 GLN HE21 H 1 7.615 0.001 . 1 . . . . . 64 GLN HE21 . 51580 2
79 . 1 . 1 16 16 GLN C C 13 177.624 0.000 . 1 . . . . . 64 GLN C . 51580 2
80 . 1 . 1 16 16 GLN CA C 13 57.702 0.025 . 1 . . . . . 64 GLN CA . 51580 2
81 . 1 . 1 16 16 GLN CB C 13 28.634 0.000 . 1 . . . . . 64 GLN CB . 51580 2
82 . 1 . 1 16 16 GLN N N 15 120.265 0.001 . 1 . . . . . 64 GLN N . 51580 2
83 . 1 . 1 16 16 GLN NE2 N 15 112.300 0.002 . 1 . . . . . 64 GLN NE2 . 51580 2
84 . 1 . 1 17 17 GLN H H 1 8.314 0.000 . 1 . . . . . 65 GLN H . 51580 2
85 . 1 . 1 17 17 GLN HE21 H 1 7.616 0.001 . 1 . . . . . 65 GLN HE21 . 51580 2
86 . 1 . 1 17 17 GLN C C 13 177.568 0.000 . 1 . . . . . 65 GLN C . 51580 2
87 . 1 . 1 17 17 GLN CA C 13 57.635 0.004 . 1 . . . . . 65 GLN CA . 51580 2
88 . 1 . 1 17 17 GLN CB C 13 28.670 0.000 . 1 . . . . . 65 GLN CB . 51580 2
89 . 1 . 1 17 17 GLN N N 15 120.293 0.004 . 1 . . . . . 65 GLN N . 51580 2
90 . 1 . 1 17 17 GLN NE2 N 15 112.351 0.000 . 1 . . . . . 65 GLN NE2 . 51580 2
91 . 1 . 1 18 18 GLN H H 1 8.323 0.000 . 1 . . . . . 66 GLN H . 51580 2
92 . 1 . 1 18 18 GLN HE21 H 1 7.620 0.000 . 1 . . . . . 66 GLN HE21 . 51580 2
93 . 1 . 1 18 18 GLN C C 13 177.520 0.000 . 1 . . . . . 66 GLN C . 51580 2
94 . 1 . 1 18 18 GLN CA C 13 57.422 0.009 . 1 . . . . . 66 GLN CA . 51580 2
95 . 1 . 1 18 18 GLN CB C 13 28.724 0.000 . 1 . . . . . 66 GLN CB . 51580 2
96 . 1 . 1 18 18 GLN N N 15 120.321 0.002 . 1 . . . . . 66 GLN N . 51580 2
97 . 1 . 1 18 18 GLN NE2 N 15 112.448 0.001 . 1 . . . . . 66 GLN NE2 . 51580 2
98 . 1 . 1 19 19 GLN H H 1 8.338 0.001 . 1 . . . . . 67 GLN H . 51580 2
99 . 1 . 1 19 19 GLN HE21 H 1 7.621 0.001 . 1 . . . . . 67 GLN HE21 . 51580 2
100 . 1 . 1 19 19 GLN C C 13 177.408 0.000 . 1 . . . . . 67 GLN C . 51580 2
101 . 1 . 1 19 19 GLN CA C 13 57.340 0.003 . 1 . . . . . 67 GLN CA . 51580 2
102 . 1 . 1 19 19 GLN CB C 13 28.778 0.000 . 1 . . . . . 67 GLN CB . 51580 2
103 . 1 . 1 19 19 GLN N N 15 120.348 0.002 . 1 . . . . . 67 GLN N . 51580 2
104 . 1 . 1 19 19 GLN NE2 N 15 112.486 0.000 . 1 . . . . . 67 GLN NE2 . 51580 2
105 . 1 . 1 20 20 GLN H H 1 8.345 0.000 . 1 . . . . . 68 GLN H . 51580 2
106 . 1 . 1 20 20 GLN HE21 H 1 7.621 0.000 . 1 . . . . . 68 GLN HE21 . 51580 2
107 . 1 . 1 20 20 GLN C C 13 177.321 0.000 . 1 . . . . . 68 GLN C . 51580 2
108 . 1 . 1 20 20 GLN CA C 13 57.228 0.003 . 1 . . . . . 68 GLN CA . 51580 2
109 . 1 . 1 20 20 GLN CB C 13 28.814 0.000 . 1 . . . . . 68 GLN CB . 51580 2
110 . 1 . 1 20 20 GLN N N 15 120.371 0.005 . 1 . . . . . 68 GLN N . 51580 2
111 . 1 . 1 20 20 GLN NE2 N 15 112.525 0.001 . 1 . . . . . 68 GLN NE2 . 51580 2
112 . 1 . 1 21 21 GLN H H 1 8.354 0.000 . 1 . . . . . 69 GLN H . 51580 2
113 . 1 . 1 21 21 GLN HE21 H 1 7.622 0.000 . 1 . . . . . 69 GLN HE21 . 51580 2
114 . 1 . 1 21 21 GLN C C 13 177.187 0.000 . 1 . . . . . 69 GLN C . 51580 2
115 . 1 . 1 21 21 GLN CA C 13 57.044 0.001 . 1 . . . . . 69 GLN CA . 51580 2
116 . 1 . 1 21 21 GLN CB C 13 28.886 0.000 . 1 . . . . . 69 GLN CB . 51580 2
117 . 1 . 1 21 21 GLN N N 15 120.410 0.000 . 1 . . . . . 69 GLN N . 51580 2
118 . 1 . 1 21 21 GLN NE2 N 15 112.567 0.000 . 1 . . . . . 69 GLN NE2 . 51580 2
119 . 1 . 1 22 22 GLN H H 1 8.364 0.000 . 1 . . . . . 70 GLN H . 51580 2
120 . 1 . 1 22 22 GLN HE21 H 1 7.626 0.000 . 1 . . . . . 70 GLN HE21 . 51580 2
121 . 1 . 1 22 22 GLN C C 13 177.075 0.000 . 1 . . . . . 70 GLN C . 51580 2
122 . 1 . 1 22 22 GLN CA C 13 56.901 0.009 . 1 . . . . . 70 GLN CA . 51580 2
123 . 1 . 1 22 22 GLN CB C 13 28.940 0.000 . 1 . . . . . 70 GLN CB . 51580 2
124 . 1 . 1 22 22 GLN N N 15 120.435 0.001 . 1 . . . . . 70 GLN N . 51580 2
125 . 1 . 1 22 22 GLN NE2 N 15 112.631 0.000 . 1 . . . . . 70 GLN NE2 . 51580 2
126 . 1 . 1 23 23 GLN H H 1 8.373 0.001 . 1 . . . . . 71 GLN H . 51580 2
127 . 1 . 1 23 23 GLN HE21 H 1 7.627 0.000 . 1 . . . . . 71 GLN HE21 . 51580 2
128 . 1 . 1 23 23 GLN C C 13 176.923 0.000 . 1 . . . . . 71 GLN C . 51580 2
129 . 1 . 1 23 23 GLN CA C 13 56.749 0.006 . 1 . . . . . 71 GLN CA . 51580 2
130 . 1 . 1 23 23 GLN CB C 13 28.994 0.000 . 1 . . . . . 71 GLN CB . 51580 2
131 . 1 . 1 23 23 GLN N N 15 120.447 0.000 . 1 . . . . . 71 GLN N . 51580 2
132 . 1 . 1 23 23 GLN NE2 N 15 112.685 0.004 . 1 . . . . . 71 GLN NE2 . 51580 2
133 . 1 . 1 24 24 GLN H H 1 8.376 0.000 . 1 . . . . . 72 GLN H . 51580 2
134 . 1 . 1 24 24 GLN HE21 H 1 7.632 0.001 . 1 . . . . . 72 GLN HE21 . 51580 2
135 . 1 . 1 24 24 GLN C C 13 176.620 0.001 . 1 . . . . . 72 GLN C . 51580 2
136 . 1 . 1 24 24 GLN CA C 13 56.485 0.015 . 1 . . . . . 72 GLN CA . 51580 2
137 . 1 . 1 24 24 GLN CB C 13 29.038 0.000 . 1 . . . . . 72 GLN CB . 51580 2
138 . 1 . 1 24 24 GLN N N 15 120.483 0.000 . 1 . . . . . 72 GLN N . 51580 2
139 . 1 . 1 24 24 GLN NE2 N 15 112.811 0.001 . 1 . . . . . 72 GLN NE2 . 51580 2
140 . 1 . 1 25 25 GLN H H 1 8.381 0.001 . 1 . . . . . 73 GLN H . 51580 2
141 . 1 . 1 25 25 GLN HE21 H 1 7.637 0.000 . 1 . . . . . 73 GLN HE21 . 51580 2
142 . 1 . 1 25 25 GLN C C 13 176.295 0.001 . 1 . . . . . 73 GLN C . 51580 2
143 . 1 . 1 25 25 GLN CA C 13 56.232 0.022 . 1 . . . . . 73 GLN CA . 51580 2
144 . 1 . 1 25 25 GLN CB C 13 29.189 0.000 . 1 . . . . . 73 GLN CB . 51580 2
145 . 1 . 1 25 25 GLN N N 15 120.675 0.000 . 1 . . . . . 73 GLN N . 51580 2
146 . 1 . 1 25 25 GLN NE2 N 15 112.886 0.005 . 1 . . . . . 73 GLN NE2 . 51580 2
147 . 1 . 1 26 26 GLN H H 1 8.390 0.001 . 1 . . . . . 74 GLN H . 51580 2
148 . 1 . 1 26 26 GLN HE21 H 1 7.652 0.000 . 1 . . . . . 74 GLN HE21 . 51580 2
149 . 1 . 1 26 26 GLN C C 13 176.044 0.002 . 1 . . . . . 74 GLN C . 51580 2
150 . 1 . 1 26 26 GLN CA C 13 55.969 0.018 . 1 . . . . . 74 GLN CA . 51580 2
151 . 1 . 1 26 26 GLN CB C 13 29.255 0.000 . 1 . . . . . 74 GLN CB . 51580 2
152 . 1 . 1 26 26 GLN N N 15 121.145 0.001 . 1 . . . . . 74 GLN N . 51580 2
153 . 1 . 1 26 26 GLN NE2 N 15 113.026 0.001 . 1 . . . . . 74 GLN NE2 . 51580 2
154 . 1 . 1 27 27 LYS H H 1 8.358 0.001 . 1 . . . . . 75 LYS H . 51580 2
155 . 1 . 1 27 27 LYS C C 13 176.046 0.008 . 1 . . . . . 75 LYS C . 51580 2
156 . 1 . 1 27 27 LYS CA C 13 56.393 0.000 . 1 . . . . . 75 LYS CA . 51580 2
157 . 1 . 1 27 27 LYS CB C 13 32.915 0.000 . 1 . . . . . 75 LYS CB . 51580 2
158 . 1 . 1 27 27 LYS N N 15 117.246 5.803 . 1 . . . . . 75 LYS N . 51580 2
159 . 1 . 1 28 28 LYS H H 1 8.336 0.000 . 1 . . . . . 76 LYS H . 51580 2
160 . 1 . 1 28 28 LYS C C 13 175.940 0.000 . 1 . . . . . 76 LYS C . 51580 2
161 . 1 . 1 28 28 LYS CA C 13 56.016 0.000 . 1 . . . . . 76 LYS CA . 51580 2
162 . 1 . 1 28 28 LYS CB C 13 33.284 0.000 . 1 . . . . . 76 LYS CB . 51580 2
163 . 1 . 1 28 28 LYS N N 15 122.914 0.001 . 1 . . . . . 76 LYS N . 51580 2
164 . 1 . 1 29 29 TYR H H 1 8.409 0.001 . 1 . . . . . 77 TYR H . 51580 2
165 . 1 . 1 29 29 TYR C C 13 177.607 0.000 . 1 . . . . . 77 TYR C . 51580 2
166 . 1 . 1 29 29 TYR N N 15 122.225 0.001 . 1 . . . . . 77 TYR N . 51580 2
stop_
save_