###################################
# 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 30349
_Assigned_chem_shift_list.ID 1
_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' . . . 30349 1
2 '3D HNCA' . . . 30349 1
3 '3D 1H-15N NOESY' . . . 30349 1
4 '2D TROSY' . . . 30349 1
5 '2D ARTSY' . . . 30349 1
6 '2D ARTSY' . . . 30349 1
7 '2D ARTSY' . . . 30349 1
8 '2D ARTSY' . . . 30349 1
9 '2D ARTSY' . . . 30349 1
10 '2D TROSY' . . . 30349 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 1 1 ASN C C 13 175.96 0.2 . 1 . . . . A 677 ASN C . 30349 1
2 . 1 1 2 2 TRP H H 1 8.27 0.01 . 1 . . . . A 678 TRP H . 30349 1
3 . 1 1 2 2 TRP C C 13 177.69 0.2 . 1 . . . . A 678 TRP C . 30349 1
4 . 1 1 2 2 TRP CA C 13 59.89 0.2 . 1 . . . . A 678 TRP CA . 30349 1
5 . 1 1 2 2 TRP N N 15 120.22 0.05 . 1 . . . . A 678 TRP N . 30349 1
6 . 1 1 3 3 LEU H H 1 7.75 0.01 . 1 . . . . A 679 LEU H . 30349 1
7 . 1 1 3 3 LEU C C 13 178.76 0.2 . 1 . . . . A 679 LEU C . 30349 1
8 . 1 1 3 3 LEU CA C 13 58.05 0.2 . 1 . . . . A 679 LEU CA . 30349 1
9 . 1 1 3 3 LEU N N 15 120.02 0.05 . 1 . . . . A 679 LEU N . 30349 1
10 . 1 1 4 4 TRP H H 1 7.76 0.01 . 1 . . . . A 680 TRP H . 30349 1
11 . 1 1 4 4 TRP C C 13 177.92 0.2 . 1 . . . . A 680 TRP C . 30349 1
12 . 1 1 4 4 TRP CA C 13 61.47 0.2 . 1 . . . . A 680 TRP CA . 30349 1
13 . 1 1 4 4 TRP N N 15 120.29 0.05 . 1 . . . . A 680 TRP N . 30349 1
14 . 1 1 5 5 TYR H H 1 7.55 0.01 . 1 . . . . A 681 TYR H . 30349 1
15 . 1 1 5 5 TYR C C 13 178.12 0.2 . 1 . . . . A 681 TYR C . 30349 1
16 . 1 1 5 5 TYR CA C 13 61.21 0.2 . 1 . . . . A 681 TYR CA . 30349 1
17 . 1 1 5 5 TYR N N 15 115.45 0.05 . 1 . . . . A 681 TYR N . 30349 1
18 . 1 1 6 6 ILE H H 1 8.03 0.01 . 1 . . . . A 682 ILE H . 30349 1
19 . 1 1 6 6 ILE C C 13 177.29 0.2 . 1 . . . . A 682 ILE C . 30349 1
20 . 1 1 6 6 ILE CA C 13 64.84 0.2 . 1 . . . . A 682 ILE CA . 30349 1
21 . 1 1 6 6 ILE N N 15 118.14 0.05 . 1 . . . . A 682 ILE N . 30349 1
22 . 1 1 7 7 ARG H H 1 8.09 0.01 . 1 . . . . A 683 ARG H . 30349 1
23 . 1 1 7 7 ARG C C 13 177.81 0.2 . 1 . . . . A 683 ARG C . 30349 1
24 . 1 1 7 7 ARG CA C 13 60.64 0.2 . 1 . . . . A 683 ARG CA . 30349 1
25 . 1 1 7 7 ARG N N 15 119.99 0.05 . 1 . . . . A 683 ARG N . 30349 1
26 . 1 1 8 8 ILE H H 1 7.78 0.01 . 1 . . . . A 684 ILE H . 30349 1
27 . 1 1 8 8 ILE C C 13 177.4 0.2 . 1 . . . . A 684 ILE C . 30349 1
28 . 1 1 8 8 ILE CA C 13 64.16 0.2 . 1 . . . . A 684 ILE CA . 30349 1
29 . 1 1 8 8 ILE N N 15 117.01 0.05 . 1 . . . . A 684 ILE N . 30349 1
30 . 1 1 9 9 PHE H H 1 8.21 0.01 . 1 . . . . A 685 PHE H . 30349 1
31 . 1 1 9 9 PHE C C 13 176.73 0.2 . 1 . . . . A 685 PHE C . 30349 1
32 . 1 1 9 9 PHE CA C 13 62.01 0.2 . 1 . . . . A 685 PHE CA . 30349 1
33 . 1 1 9 9 PHE N N 15 120.36 0.05 . 1 . . . . A 685 PHE N . 30349 1
34 . 1 1 10 10 ILE H H 1 8.39 0.01 . 1 . . . . A 686 ILE H . 30349 1
35 . 1 1 10 10 ILE C C 13 177.79 0.2 . 1 . . . . A 686 ILE C . 30349 1
36 . 1 1 10 10 ILE CA C 13 65.22 0.2 . 1 . . . . A 686 ILE CA . 30349 1
37 . 1 1 10 10 ILE N N 15 118.03 0.05 . 1 . . . . A 686 ILE N . 30349 1
38 . 1 1 11 11 ILE H H 1 8.06 0.01 . 1 . . . . A 687 ILE H . 30349 1
39 . 1 1 11 11 ILE C C 13 178.82 0.2 . 1 . . . . A 687 ILE C . 30349 1
40 . 1 1 11 11 ILE CA C 13 65.70 0.2 . 1 . . . . A 687 ILE CA . 30349 1
41 . 1 1 11 11 ILE N N 15 120.18 0.05 . 1 . . . . A 687 ILE N . 30349 1
42 . 1 1 12 12 ILE H H 1 8.45 0.01 . 1 . . . . A 688 ILE H . 30349 1
43 . 1 1 12 12 ILE C C 13 177.29 0.2 . 1 . . . . A 688 ILE C . 30349 1
44 . 1 1 12 12 ILE CA C 13 66.15 0.2 . 1 . . . . A 688 ILE CA . 30349 1
45 . 1 1 12 12 ILE N N 15 121.86 0.05 . 1 . . . . A 688 ILE N . 30349 1
46 . 1 1 13 13 VAL H H 1 8.37 0.01 . 1 . . . . A 689 VAL H . 30349 1
47 . 1 1 13 13 VAL C C 13 178.05 0.2 . 1 . . . . A 689 VAL C . 30349 1
48 . 1 1 13 13 VAL CA C 13 67.36 0.2 . 1 . . . . A 689 VAL CA . 30349 1
49 . 1 1 13 13 VAL N N 15 118.46 0.05 . 1 . . . . A 689 VAL N . 30349 1
50 . 1 1 14 14 GLY H H 1 8.83 0.01 . 1 . . . . A 690 GLY H . 30349 1
51 . 1 1 14 14 GLY C C 13 175.19 0.2 . 1 . . . . A 690 GLY C . 30349 1
52 . 1 1 14 14 GLY CA C 13 47.47 0.2 . 1 . . . . A 690 GLY CA . 30349 1
53 . 1 1 14 14 GLY N N 15 106.66 0.05 . 1 . . . . A 690 GLY N . 30349 1
54 . 1 1 15 15 SER H H 1 8.13 0.01 . 1 . . . . A 691 SER H . 30349 1
55 . 1 1 15 15 SER C C 13 175.42 0.2 . 1 . . . . A 691 SER C . 30349 1
56 . 1 1 15 15 SER CA C 13 63.60 0.2 . 1 . . . . A 691 SER CA . 30349 1
57 . 1 1 15 15 SER N N 15 117.99 0.05 . 1 . . . . A 691 SER N . 30349 1
58 . 1 1 16 16 LEU H H 1 7.89 0.01 . 1 . . . . A 692 LEU H . 30349 1
59 . 1 1 16 16 LEU C C 13 178.82 0.2 . 1 . . . . A 692 LEU C . 30349 1
60 . 1 1 16 16 LEU CA C 13 58.31 0.2 . 1 . . . . A 692 LEU CA . 30349 1
61 . 1 1 16 16 LEU N N 15 121.8 0.05 . 1 . . . . A 692 LEU N . 30349 1
62 . 1 1 17 17 ILE H H 1 8.12 0.01 . 1 . . . . A 693 ILE H . 30349 1
63 . 1 1 17 17 ILE C C 13 178.09 0.2 . 1 . . . . A 693 ILE C . 30349 1
64 . 1 1 17 17 ILE CA C 13 65.19 0.2 . 1 . . . . A 693 ILE CA . 30349 1
65 . 1 1 17 17 ILE N N 15 118.34 0.05 . 1 . . . . A 693 ILE N . 30349 1
66 . 1 1 18 18 GLY H H 1 8.58 0.01 . 1 . . . . A 694 GLY H . 30349 1
67 . 1 1 18 18 GLY C C 13 174.88 0.2 . 1 . . . . A 694 GLY C . 30349 1
68 . 1 1 18 18 GLY CA C 13 47.67 0.2 . 1 . . . . A 694 GLY CA . 30349 1
69 . 1 1 18 18 GLY N N 15 107.13 0.05 . 1 . . . . A 694 GLY N . 30349 1
70 . 1 1 19 19 LEU H H 1 8.46 0.01 . 1 . . . . A 695 LEU H . 30349 1
71 . 1 1 19 19 LEU C C 13 178.15 0.2 . 1 . . . . A 695 LEU C . 30349 1
72 . 1 1 19 19 LEU CA C 13 58.14 0.2 . 1 . . . . A 695 LEU CA . 30349 1
73 . 1 1 19 19 LEU N N 15 121.25 0.05 . 1 . . . . A 695 LEU N . 30349 1
74 . 1 1 20 20 ARG H H 1 7.97 0.01 . 1 . . . . A 696 ARG H . 30349 1
75 . 1 1 20 20 ARG C C 13 179.52 0.2 . 1 . . . . A 696 ARG C . 30349 1
76 . 1 1 20 20 ARG CA C 13 59.08 0.2 . 1 . . . . A 696 ARG CA . 30349 1
77 . 1 1 20 20 ARG N N 15 118.79 0.05 . 1 . . . . A 696 ARG N . 30349 1
78 . 1 1 21 21 ILE H H 1 8.2 0.01 . 1 . . . . A 697 ILE H . 30349 1
79 . 1 1 21 21 ILE C C 13 177.37 0.2 . 1 . . . . A 697 ILE C . 30349 1
80 . 1 1 21 21 ILE CA C 13 65.59 0.2 . 1 . . . . A 697 ILE CA . 30349 1
81 . 1 1 21 21 ILE N N 15 120.05 0.05 . 1 . . . . A 697 ILE N . 30349 1
82 . 1 1 22 22 VAL H H 1 8.31 0.01 . 1 . . . . A 698 VAL H . 30349 1
83 . 1 1 22 22 VAL C C 13 177.72 0.2 . 1 . . . . A 698 VAL C . 30349 1
84 . 1 1 22 22 VAL CA C 13 67.73 0.2 . 1 . . . . A 698 VAL CA . 30349 1
85 . 1 1 22 22 VAL N N 15 120.06 0.05 . 1 . . . . A 698 VAL N . 30349 1
86 . 1 1 23 23 PHE H H 1 8.46 0.01 . 1 . . . . A 699 PHE H . 30349 1
87 . 1 1 23 23 PHE C C 13 178.1 0.2 . 1 . . . . A 699 PHE C . 30349 1
88 . 1 1 23 23 PHE CA C 13 61.82 0.2 . 1 . . . . A 699 PHE CA . 30349 1
89 . 1 1 23 23 PHE N N 15 117.86 0.05 . 1 . . . . A 699 PHE N . 30349 1
90 . 1 1 24 24 ALA H H 1 8.11 0.01 . 1 . . . . A 700 ALA H . 30349 1
91 . 1 1 24 24 ALA C C 13 180.47 0.2 . 1 . . . . A 700 ALA C . 30349 1
92 . 1 1 24 24 ALA CA C 13 55.30 0.2 . 1 . . . . A 700 ALA CA . 30349 1
93 . 1 1 24 24 ALA N N 15 123.09 0.05 . 1 . . . . A 700 ALA N . 30349 1
94 . 1 1 25 25 VAL H H 1 8.36 0.01 . 1 . . . . A 701 VAL H . 30349 1
95 . 1 1 25 25 VAL C C 13 177.69 0.2 . 1 . . . . A 701 VAL C . 30349 1
96 . 1 1 25 25 VAL CA C 13 66.95 0.2 . 1 . . . . A 701 VAL CA . 30349 1
97 . 1 1 25 25 VAL N N 15 118.55 0.05 . 1 . . . . A 701 VAL N . 30349 1
98 . 1 1 26 26 LEU H H 1 8.39 0.01 . 1 . . . . A 702 LEU H . 30349 1
99 . 1 1 26 26 LEU C C 13 178.88 0.2 . 1 . . . . A 702 LEU C . 30349 1
100 . 1 1 26 26 LEU CA C 13 58.27 0.2 . 1 . . . . A 702 LEU CA . 30349 1
101 . 1 1 26 26 LEU N N 15 119.5 0.05 . 1 . . . . A 702 LEU N . 30349 1
102 . 1 1 27 27 SER H H 1 8.07 0.01 . 1 . . . . A 703 SER H . 30349 1
103 . 1 1 27 27 SER C C 13 176.78 0.2 . 1 . . . . A 703 SER C . 30349 1
104 . 1 1 27 27 SER CA C 13 61.82 0.2 . 1 . . . . A 703 SER CA . 30349 1
105 . 1 1 27 27 SER N N 15 114.14 0.05 . 1 . . . . A 703 SER N . 30349 1
106 . 1 1 28 28 LEU H H 1 7.7 0.01 . 1 . . . . A 704 LEU H . 30349 1
107 . 1 1 28 28 LEU C C 13 178.59 0.2 . 1 . . . . A 704 LEU C . 30349 1
108 . 1 1 28 28 LEU CA C 13 58.21 0.2 . 1 . . . . A 704 LEU CA . 30349 1
109 . 1 1 28 28 LEU N N 15 122.76 0.05 . 1 . . . . A 704 LEU N . 30349 1
110 . 1 1 29 29 VAL H H 1 8.26 0.01 . 1 . . . . A 705 VAL H . 30349 1
111 . 1 1 29 29 VAL C C 13 177.44 0.2 . 1 . . . . A 705 VAL C . 30349 1
112 . 1 1 29 29 VAL CA C 13 66.56 0.2 . 1 . . . . A 705 VAL CA . 30349 1
113 . 1 1 29 29 VAL N N 15 118.05 0.05 . 1 . . . . A 705 VAL N . 30349 1
114 . 1 1 30 30 ASN H H 1 8.12 0.01 . 1 . . . . A 706 ASN H . 30349 1
115 . 1 1 30 30 ASN C C 13 177.02 0.2 . 1 . . . . A 706 ASN C . 30349 1
116 . 1 1 30 30 ASN CA C 13 56.20 0.2 . 1 . . . . A 706 ASN CA . 30349 1
117 . 1 1 30 30 ASN N N 15 117.45 0.05 . 1 . . . . A 706 ASN N . 30349 1
118 . 1 1 31 31 ARG H H 1 7.86 0.01 . 1 . . . . A 707 ARG H . 30349 1
119 . 1 1 31 31 ARG C C 13 178.85 0.2 . 1 . . . . A 707 ARG C . 30349 1
120 . 1 1 31 31 ARG CA C 13 58.94 0.2 . 1 . . . . A 707 ARG CA . 30349 1
121 . 1 1 31 31 ARG N N 15 119.2 0.05 . 1 . . . . A 707 ARG N . 30349 1
122 . 1 1 32 32 VAL H H 1 8.04 0.01 . 1 . . . . A 708 VAL H . 30349 1
123 . 1 1 32 32 VAL C C 13 178.26 0.2 . 1 . . . . A 708 VAL C . 30349 1
124 . 1 1 32 32 VAL CA C 13 65.17 0.2 . 1 . . . . A 708 VAL CA . 30349 1
125 . 1 1 32 32 VAL N N 15 118.88 0.05 . 1 . . . . A 708 VAL N . 30349 1
126 . 1 1 33 33 ARG H H 1 8.14 0.01 . 1 . . . . A 709 ARG H . 30349 1
127 . 1 1 33 33 ARG C C 13 177.35 0.2 . 1 . . . . A 709 ARG C . 30349 1
128 . 1 1 33 33 ARG CA C 13 58.41 0.2 . 1 . . . . A 709 ARG CA . 30349 1
129 . 1 1 33 33 ARG N N 15 120.12 0.05 . 1 . . . . A 709 ARG N . 30349 1
130 . 1 1 34 34 GLN H H 1 7.79 0.01 . 1 . . . . A 710 GLN H . 30349 1
131 . 1 1 34 34 GLN C C 13 176.71 0.2 . 1 . . . . A 710 GLN C . 30349 1
132 . 1 1 34 34 GLN CA C 13 56.84 0.2 . 1 . . . . A 710 GLN CA . 30349 1
133 . 1 1 34 34 GLN N N 15 117.49 0.05 . 1 . . . . A 710 GLN N . 30349 1
134 . 1 1 35 35 GLY H H 1 7.88 0.01 . 1 . . . . A 711 GLY H . 30349 1
135 . 1 1 35 35 GLY C C 13 173.79 0.2 . 1 . . . . A 711 GLY C . 30349 1
136 . 1 1 35 35 GLY CA C 13 45.49 0.2 . 1 . . . . A 711 GLY CA . 30349 1
137 . 1 1 35 35 GLY N N 15 107.51 0.05 . 1 . . . . A 711 GLY N . 30349 1
138 . 1 1 36 36 TYR H H 1 7.83 0.01 . 1 . . . . A 712 TYR H . 30349 1
139 . 1 1 36 36 TYR C C 13 175.17 0.2 . 1 . . . . A 712 TYR C . 30349 1
140 . 1 1 36 36 TYR CA C 13 57.93 0.2 . 1 . . . . A 712 TYR CA . 30349 1
141 . 1 1 36 36 TYR N N 15 120.26 0.05 . 1 . . . . A 712 TYR N . 30349 1
142 . 1 1 37 37 SER H H 1 7.97 0.01 . 1 . . . . A 713 SER H . 30349 1
143 . 1 1 37 37 SER CA C 13 55.83 0.2 . 1 . . . . A 713 SER CA . 30349 1
144 . 1 1 37 37 SER N N 15 118.35 0.05 . 1 . . . . A 713 SER N . 30349 1
145 . 1 1 38 38 PRO C C 13 176.4 0.2 . 1 . . . . A 714 PRO C . 30349 1
146 . 1 1 38 38 PRO CA C 13 63.61 0.2 . 1 . . . . A 714 PRO CA . 30349 1
147 . 1 1 39 39 LEU H H 1 8.03 0.01 . 1 . . . . A 715 LEU H . 30349 1
148 . 1 1 39 39 LEU C C 13 176.34 0.2 . 1 . . . . A 715 LEU C . 30349 1
149 . 1 1 39 39 LEU CA C 13 55.11 0.2 . 1 . . . . A 715 LEU CA . 30349 1
150 . 1 1 39 39 LEU N N 15 120.58 0.05 . 1 . . . . A 715 LEU N . 30349 1
151 . 1 1 40 40 SER H H 1 7.58 0.01 . 1 . . . . A 716 SER H . 30349 1
152 . 1 1 40 40 SER CA C 13 60.06 0.2 . 1 . . . . A 716 SER CA . 30349 1
153 . 1 1 40 40 SER N N 15 121.28 0.05 . 1 . . . . A 716 SER N . 30349 1
stop_
save_