###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 27721
_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 $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
;
Additional rows:
60 63 0.84188 25.22850 (135Leu/177Leu)(Hda*/Hdb*) (135Leu/177Leu)Cdb
61 36 0.68252 21.58709 (146Ala/172Val)(Hb*/Hga*) (146Ala/172Val)(Cb/Cga)
62 22 0.82930 14.86386 (171Ile/134Ile)Hd1* (171Ile/134Ile)Cd1
63 21 0.72902 14.32159 (200Ile/240Ile)Hd1* (200Ile/240Ile)Cd1
64 55 0.90844 26.54723 (203Leu/120Leu)(Hdb*/Hda*) (203Leu/120Leu)Cd*
65 32 0.75234 23.44018 (213Val/177Leu)(Hgb*/Hda*) (213Val/177Leu)(Cgb/Cda)
66 60 0.91603 24.27161 (242Leu/135Leu)Hdb* (242Leu/135Leu)Cd*
67 25 0.84279 19.98179 {*}(Hg2*/Hga*/Hga*) {*}Cg*
68 35 0.84594 21.26015 {*}(Hgb*/Hgb*/Hga*) {*}Cg*
;
_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 HNCACB' . . isotropic 27721 1
2 '2D 1H-15N HSQC' . . isotropic 27721 1
3 '3D HCCH-COSY' . . isotropic 27721 1
4 '2D 1H-13C HSQC' . . isotropic 27721 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 2 2 LEU HD11 H 1 0.28884 . . 2 . . . . . 114 LEU HD1 . 27721 1
2 . 1 1 2 2 LEU HD12 H 1 0.28884 . . 2 . . . . . 114 LEU HD1 . 27721 1
3 . 1 1 2 2 LEU HD13 H 1 0.28884 . . 2 . . . . . 114 LEU HD1 . 27721 1
4 . 1 1 2 2 LEU HD21 H 1 0.75715 . . 2 . . . . . 114 LEU HD2 . 27721 1
5 . 1 1 2 2 LEU HD22 H 1 0.75715 . . 2 . . . . . 114 LEU HD2 . 27721 1
6 . 1 1 2 2 LEU HD23 H 1 0.75715 . . 2 . . . . . 114 LEU HD2 . 27721 1
7 . 1 1 2 2 LEU CD1 C 13 24.21002 . . 2 . . . . . 114 LEU CD1 . 27721 1
8 . 1 1 2 2 LEU CD2 C 13 22.50366 . . 2 . . . . . 114 LEU CD2 . 27721 1
9 . 1 1 3 3 ILE HG21 H 1 0.99825 . . 1 . . . . . 115 ILE HG . 27721 1
10 . 1 1 3 3 ILE HG22 H 1 0.99825 . . 1 . . . . . 115 ILE HG . 27721 1
11 . 1 1 3 3 ILE HG23 H 1 0.99825 . . 1 . . . . . 115 ILE HG . 27721 1
12 . 1 1 3 3 ILE HD11 H 1 0.97113 . . 1 . . . . . 115 ILE HD . 27721 1
13 . 1 1 3 3 ILE HD12 H 1 0.97113 . . 1 . . . . . 115 ILE HD . 27721 1
14 . 1 1 3 3 ILE HD13 H 1 0.97113 . . 1 . . . . . 115 ILE HD . 27721 1
15 . 1 1 3 3 ILE CG2 C 13 17.75222 . . 1 . . . . . 115 ILE CG2 . 27721 1
16 . 1 1 3 3 ILE CD1 C 13 12.84249 . . 1 . . . . . 115 ILE CD1 . 27721 1
17 . 1 1 8 8 LEU HD21 H 1 1.23434 . . 2 . . . . . 120 LEU HD2 . 27721 1
18 . 1 1 8 8 LEU HD22 H 1 1.23434 . . 2 . . . . . 120 LEU HD2 . 27721 1
19 . 1 1 8 8 LEU HD23 H 1 1.23434 . . 2 . . . . . 120 LEU HD2 . 27721 1
20 . 1 1 8 8 LEU CD2 C 13 24.57767 . . 2 . . . . . 120 LEU CD2 . 27721 1
21 . 1 1 10 10 LEU HD11 H 1 0.55529 . . 2 . . . . . 122 LEU HD1 . 27721 1
22 . 1 1 10 10 LEU HD12 H 1 0.55529 . . 2 . . . . . 122 LEU HD1 . 27721 1
23 . 1 1 10 10 LEU HD13 H 1 0.55529 . . 2 . . . . . 122 LEU HD1 . 27721 1
24 . 1 1 10 10 LEU HD21 H 1 0.74374 . . 2 . . . . . 122 LEU HD2 . 27721 1
25 . 1 1 10 10 LEU HD22 H 1 0.74374 . . 2 . . . . . 122 LEU HD2 . 27721 1
26 . 1 1 10 10 LEU HD23 H 1 0.74374 . . 2 . . . . . 122 LEU HD2 . 27721 1
27 . 1 1 10 10 LEU CD1 C 13 23.61842 . . 2 . . . . . 122 LEU CD1 . 27721 1
28 . 1 1 10 10 LEU CD2 C 13 26.54101 . . 2 . . . . . 122 LEU CD2 . 27721 1
29 . 1 1 14 14 VAL HG11 H 1 1.02676 . . 2 . . . . . 126 VAL HG1 . 27721 1
30 . 1 1 14 14 VAL HG12 H 1 1.02676 . . 2 . . . . . 126 VAL HG1 . 27721 1
31 . 1 1 14 14 VAL HG13 H 1 1.02676 . . 2 . . . . . 126 VAL HG1 . 27721 1
32 . 1 1 14 14 VAL HG21 H 1 1.04456 . . 2 . . . . . 126 VAL HG2 . 27721 1
33 . 1 1 14 14 VAL HG22 H 1 1.04456 . . 2 . . . . . 126 VAL HG2 . 27721 1
34 . 1 1 14 14 VAL HG23 H 1 1.04456 . . 2 . . . . . 126 VAL HG2 . 27721 1
35 . 1 1 14 14 VAL CG1 C 13 22.55908 . . 2 . . . . . 126 VAL CG1 . 27721 1
36 . 1 1 14 14 VAL CG2 C 13 23.94419 . . 2 . . . . . 126 VAL CG2 . 27721 1
37 . 1 1 15 15 VAL HG21 H 1 0.92813 . . 2 . . . . . 127 VAL HG2 . 27721 1
38 . 1 1 15 15 VAL HG22 H 1 0.92813 . . 2 . . . . . 127 VAL HG2 . 27721 1
39 . 1 1 15 15 VAL HG23 H 1 0.92813 . . 2 . . . . . 127 VAL HG2 . 27721 1
40 . 1 1 15 15 VAL CG2 C 13 21.57699 . . 2 . . . . . 127 VAL CG2 . 27721 1
41 . 1 1 18 18 MET HE1 H 1 1.78863 . . 1 . . . . . 130 MET HE . 27721 1
42 . 1 1 18 18 MET HE2 H 1 1.78863 . . 1 . . . . . 130 MET HE . 27721 1
43 . 1 1 18 18 MET HE3 H 1 1.78863 . . 1 . . . . . 130 MET HE . 27721 1
44 . 1 1 18 18 MET CE C 13 17.68519 . . 1 . . . . . 130 MET CE . 27721 1
45 . 1 1 19 19 LEU HD11 H 1 0.83568 . . 2 . . . . . 131 LEU HD1 . 27721 1
46 . 1 1 19 19 LEU HD12 H 1 0.83568 . . 2 . . . . . 131 LEU HD1 . 27721 1
47 . 1 1 19 19 LEU HD13 H 1 0.83568 . . 2 . . . . . 131 LEU HD1 . 27721 1
48 . 1 1 19 19 LEU HD21 H 1 0.87437 . . 2 . . . . . 131 LEU HD2 . 27721 1
49 . 1 1 19 19 LEU HD22 H 1 0.87437 . . 2 . . . . . 131 LEU HD2 . 27721 1
50 . 1 1 19 19 LEU HD23 H 1 0.87437 . . 2 . . . . . 131 LEU HD2 . 27721 1
51 . 1 1 19 19 LEU CD1 C 13 26.43100 . . 2 . . . . . 131 LEU CD1 . 27721 1
52 . 1 1 19 19 LEU CD2 C 13 24.28876 . . 2 . . . . . 131 LEU CD2 . 27721 1
53 . 1 1 20 20 ILE HG21 H 1 0.94163 . . 1 . . . . . 132 ILE HG . 27721 1
54 . 1 1 20 20 ILE HG22 H 1 0.94163 . . 1 . . . . . 132 ILE HG . 27721 1
55 . 1 1 20 20 ILE HG23 H 1 0.94163 . . 1 . . . . . 132 ILE HG . 27721 1
56 . 1 1 20 20 ILE HD11 H 1 1.20951 . . 1 . . . . . 132 ILE HD . 27721 1
57 . 1 1 20 20 ILE HD12 H 1 1.20951 . . 1 . . . . . 132 ILE HD . 27721 1
58 . 1 1 20 20 ILE HD13 H 1 1.20951 . . 1 . . . . . 132 ILE HD . 27721 1
59 . 1 1 20 20 ILE CG2 C 13 18.21315 . . 1 . . . . . 132 ILE CG2 . 27721 1
60 . 1 1 20 20 ILE CD1 C 13 15.61055 . . 1 . . . . . 132 ILE CD1 . 27721 1
61 . 1 1 21 21 THR HG21 H 1 1.11354 . . 1 . . . . . 133 THR HG . 27721 1
62 . 1 1 21 21 THR HG22 H 1 1.11354 . . 1 . . . . . 133 THR HG . 27721 1
63 . 1 1 21 21 THR HG23 H 1 1.11354 . . 1 . . . . . 133 THR HG . 27721 1
64 . 1 1 21 21 THR CG2 C 13 21.49519 . . 1 . . . . . 133 THR CG2 . 27721 1
65 . 1 1 22 22 ILE HG21 H 1 1.01856 . . 1 . . . . . 134 ILE HG . 27721 1
66 . 1 1 22 22 ILE HG22 H 1 1.01856 . . 1 . . . . . 134 ILE HG . 27721 1
67 . 1 1 22 22 ILE HG23 H 1 1.01856 . . 1 . . . . . 134 ILE HG . 27721 1
68 . 1 1 22 22 ILE CG2 C 13 18.87795 . . 1 . . . . . 134 ILE CG2 . 27721 1
69 . 1 1 25 25 THR HG21 H 1 0.99771 . . 1 . . . . . 137 THR HG . 27721 1
70 . 1 1 25 25 THR HG22 H 1 0.99771 . . 1 . . . . . 137 THR HG . 27721 1
71 . 1 1 25 25 THR HG23 H 1 0.99771 . . 1 . . . . . 137 THR HG . 27721 1
72 . 1 1 25 25 THR CG2 C 13 21.74152 . . 1 . . . . . 137 THR CG2 . 27721 1
73 . 1 1 26 26 VAL HG11 H 1 1.09336 . . 2 . . . . . 138 VAL HG1 . 27721 1
74 . 1 1 26 26 VAL HG12 H 1 1.09336 . . 2 . . . . . 138 VAL HG1 . 27721 1
75 . 1 1 26 26 VAL HG13 H 1 1.09336 . . 2 . . . . . 138 VAL HG1 . 27721 1
76 . 1 1 26 26 VAL HG21 H 1 1.31403 . . 2 . . . . . 138 VAL HG2 . 27721 1
77 . 1 1 26 26 VAL HG22 H 1 1.31403 . . 2 . . . . . 138 VAL HG2 . 27721 1
78 . 1 1 26 26 VAL HG23 H 1 1.31403 . . 2 . . . . . 138 VAL HG2 . 27721 1
79 . 1 1 26 26 VAL CG1 C 13 24.31407 . . 2 . . . . . 138 VAL CG1 . 27721 1
80 . 1 1 26 26 VAL CG2 C 13 24.71172 . . 2 . . . . . 138 VAL CG2 . 27721 1
81 . 1 1 30 30 ALA HB1 H 1 0.59988 . . 1 . . . . . 142 ALA HB . 27721 1
82 . 1 1 30 30 ALA HB2 H 1 0.59988 . . 1 . . . . . 142 ALA HB . 27721 1
83 . 1 1 30 30 ALA HB3 H 1 0.59988 . . 1 . . . . . 142 ALA HB . 27721 1
84 . 1 1 30 30 ALA CB C 13 20.31992 . . 1 . . . . . 142 ALA CB . 27721 1
85 . 1 1 33 33 ILE HG21 H 1 0.57347 . . 1 . . . . . 145 ILE HG . 27721 1
86 . 1 1 33 33 ILE HG22 H 1 0.57347 . . 1 . . . . . 145 ILE HG . 27721 1
87 . 1 1 33 33 ILE HG23 H 1 0.57347 . . 1 . . . . . 145 ILE HG . 27721 1
88 . 1 1 33 33 ILE HD11 H 1 0.00656 . . 1 . . . . . 145 ILE HD . 27721 1
89 . 1 1 33 33 ILE HD12 H 1 0.00656 . . 1 . . . . . 145 ILE HD . 27721 1
90 . 1 1 33 33 ILE HD13 H 1 0.00656 . . 1 . . . . . 145 ILE HD . 27721 1
91 . 1 1 33 33 ILE CG2 C 13 15.49101 . . 1 . . . . . 145 ILE CG2 . 27721 1
92 . 1 1 33 33 ILE CD1 C 13 13.74964 . . 1 . . . . . 145 ILE CD1 . 27721 1
93 . 1 1 35 35 LEU HD11 H 1 0.68012 . . 2 . . . . . 147 LEU HD1 . 27721 1
94 . 1 1 35 35 LEU HD12 H 1 0.68012 . . 2 . . . . . 147 LEU HD1 . 27721 1
95 . 1 1 35 35 LEU HD13 H 1 0.68012 . . 2 . . . . . 147 LEU HD1 . 27721 1
96 . 1 1 35 35 LEU HD21 H 1 0.75681 . . 2 . . . . . 147 LEU HD2 . 27721 1
97 . 1 1 35 35 LEU HD22 H 1 0.75681 . . 2 . . . . . 147 LEU HD2 . 27721 1
98 . 1 1 35 35 LEU HD23 H 1 0.75681 . . 2 . . . . . 147 LEU HD2 . 27721 1
99 . 1 1 35 35 LEU CD1 C 13 24.19108 . . 2 . . . . . 147 LEU CD1 . 27721 1
100 . 1 1 35 35 LEU CD2 C 13 25.49985 . . 2 . . . . . 147 LEU CD2 . 27721 1
101 . 1 1 43 43 VAL HG11 H 1 0.76132 . . 2 . . . . . 155 VAL HG1 . 27721 1
102 . 1 1 43 43 VAL HG12 H 1 0.76132 . . 2 . . . . . 155 VAL HG1 . 27721 1
103 . 1 1 43 43 VAL HG13 H 1 0.76132 . . 2 . . . . . 155 VAL HG1 . 27721 1
104 . 1 1 43 43 VAL HG21 H 1 1.14589 . . 2 . . . . . 155 VAL HG2 . 27721 1
105 . 1 1 43 43 VAL HG22 H 1 1.14589 . . 2 . . . . . 155 VAL HG2 . 27721 1
106 . 1 1 43 43 VAL HG23 H 1 1.14589 . . 2 . . . . . 155 VAL HG2 . 27721 1
107 . 1 1 43 43 VAL CG1 C 13 20.30346 . . 2 . . . . . 155 VAL CG1 . 27721 1
108 . 1 1 43 43 VAL CG2 C 13 22.84012 . . 2 . . . . . 155 VAL CG2 . 27721 1
109 . 1 1 44 44 ALA HB1 H 1 1.56333 . . 1 . . . . . 156 ALA HB . 27721 1
110 . 1 1 44 44 ALA HB2 H 1 1.56333 . . 1 . . . . . 156 ALA HB . 27721 1
111 . 1 1 44 44 ALA HB3 H 1 1.56333 . . 1 . . . . . 156 ALA HB . 27721 1
112 . 1 1 44 44 ALA CB C 13 19.51072 . . 1 . . . . . 156 ALA CB . 27721 1
113 . 1 1 58 58 VAL HG11 H 1 0.72554 . . 2 . . . . . 170 VAL HG1 . 27721 1
114 . 1 1 58 58 VAL HG12 H 1 0.72554 . . 2 . . . . . 170 VAL HG1 . 27721 1
115 . 1 1 58 58 VAL HG13 H 1 0.72554 . . 2 . . . . . 170 VAL HG1 . 27721 1
116 . 1 1 58 58 VAL CG1 C 13 19.32790 . . 2 . . . . . 170 VAL CG1 . 27721 1
117 . 1 1 59 59 ILE HG21 H 1 0.16013 . . 1 . . . . . 171 ILE HG . 27721 1
118 . 1 1 59 59 ILE HG22 H 1 0.16013 . . 1 . . . . . 171 ILE HG . 27721 1
119 . 1 1 59 59 ILE HG23 H 1 0.16013 . . 1 . . . . . 171 ILE HG . 27721 1
120 . 1 1 59 59 ILE CG2 C 13 17.82046 . . 1 . . . . . 171 ILE CG2 . 27721 1
121 . 1 1 60 60 VAL HG21 H 1 0.74906 . . 2 . . . . . 172 VAL HG2 . 27721 1
122 . 1 1 60 60 VAL HG22 H 1 0.74906 . . 2 . . . . . 172 VAL HG2 . 27721 1
123 . 1 1 60 60 VAL HG23 H 1 0.74906 . . 2 . . . . . 172 VAL HG2 . 27721 1
124 . 1 1 60 60 VAL CG2 C 13 21.52871 . . 2 . . . . . 172 VAL CG2 . 27721 1
125 . 1 1 63 63 THR HG21 H 1 1.48809 . . 1 . . . . . 175 THR HG . 27721 1
126 . 1 1 63 63 THR HG22 H 1 1.48809 . . 1 . . . . . 175 THR HG . 27721 1
127 . 1 1 63 63 THR HG23 H 1 1.48809 . . 1 . . . . . 175 THR HG . 27721 1
128 . 1 1 63 63 THR CG2 C 13 21.59197 . . 1 . . . . . 175 THR CG2 . 27721 1
129 . 1 1 77 77 VAL HG21 H 1 1.04217 . . 2 . . . . . 189 VAL HG2 . 27721 1
130 . 1 1 77 77 VAL HG22 H 1 1.04217 . . 2 . . . . . 189 VAL HG2 . 27721 1
131 . 1 1 77 77 VAL HG23 H 1 1.04217 . . 2 . . . . . 189 VAL HG2 . 27721 1
132 . 1 1 77 77 VAL CG2 C 13 21.59234 . . 2 . . . . . 189 VAL CG2 . 27721 1
133 . 1 1 88 88 ILE HG21 H 1 0.65413 . . 1 . . . . . 200 ILE HG . 27721 1
134 . 1 1 88 88 ILE HG22 H 1 0.65413 . . 1 . . . . . 200 ILE HG . 27721 1
135 . 1 1 88 88 ILE HG23 H 1 0.65413 . . 1 . . . . . 200 ILE HG . 27721 1
136 . 1 1 88 88 ILE CG2 C 13 17.46780 . . 1 . . . . . 200 ILE CG2 . 27721 1
137 . 1 1 91 91 LEU HD11 H 1 0.89537 . . 2 . . . . . 203 LEU HD1 . 27721 1
138 . 1 1 91 91 LEU HD12 H 1 0.89537 . . 2 . . . . . 203 LEU HD1 . 27721 1
139 . 1 1 91 91 LEU HD13 H 1 0.89537 . . 2 . . . . . 203 LEU HD1 . 27721 1
140 . 1 1 91 91 LEU CD1 C 13 23.45858 . . 2 . . . . . 203 LEU CD1 . 27721 1
141 . 1 1 92 92 VAL HG11 H 1 0.44299 . . 2 . . . . . 204 VAL HG1 . 27721 1
142 . 1 1 92 92 VAL HG12 H 1 0.44299 . . 2 . . . . . 204 VAL HG1 . 27721 1
143 . 1 1 92 92 VAL HG13 H 1 0.44299 . . 2 . . . . . 204 VAL HG1 . 27721 1
144 . 1 1 92 92 VAL HG21 H 1 1.06917 . . 2 . . . . . 204 VAL HG2 . 27721 1
145 . 1 1 92 92 VAL HG22 H 1 1.06917 . . 2 . . . . . 204 VAL HG2 . 27721 1
146 . 1 1 92 92 VAL HG23 H 1 1.06917 . . 2 . . . . . 204 VAL HG2 . 27721 1
147 . 1 1 92 92 VAL CG1 C 13 21.35790 . . 2 . . . . . 204 VAL CG1 . 27721 1
148 . 1 1 92 92 VAL CG2 C 13 20.50544 . . 2 . . . . . 204 VAL CG2 . 27721 1
149 . 1 1 99 99 VAL HG11 H 1 0.45515 . . 2 . . . . . 211 VAL HG1 . 27721 1
150 . 1 1 99 99 VAL HG12 H 1 0.45515 . . 2 . . . . . 211 VAL HG1 . 27721 1
151 . 1 1 99 99 VAL HG13 H 1 0.45515 . . 2 . . . . . 211 VAL HG1 . 27721 1
152 . 1 1 99 99 VAL CG1 C 13 21.25681 . . 2 . . . . . 211 VAL CG1 . 27721 1
153 . 1 1 100 100 ALA HB1 H 1 1.30902 . . 1 . . . . . 212 ALA HB . 27721 1
154 . 1 1 100 100 ALA HB2 H 1 1.30902 . . 1 . . . . . 212 ALA HB . 27721 1
155 . 1 1 100 100 ALA HB3 H 1 1.30902 . . 1 . . . . . 212 ALA HB . 27721 1
156 . 1 1 100 100 ALA CB C 13 22.34201 . . 1 . . . . . 212 ALA CB . 27721 1
157 . 1 1 101 101 VAL HG11 H 1 0.32463 . . 2 . . . . . 213 VAL HG1 . 27721 1
158 . 1 1 101 101 VAL HG12 H 1 0.32463 . . 2 . . . . . 213 VAL HG1 . 27721 1
159 . 1 1 101 101 VAL HG13 H 1 0.32463 . . 2 . . . . . 213 VAL HG1 . 27721 1
160 . 1 1 101 101 VAL CG1 C 13 20.60621 . . 2 . . . . . 213 VAL CG1 . 27721 1
161 . 1 1 104 104 ALA HB1 H 1 1.38331 . . 1 . . . . . 216 ALA HB . 27721 1
162 . 1 1 104 104 ALA HB2 H 1 1.38331 . . 1 . . . . . 216 ALA HB . 27721 1
163 . 1 1 104 104 ALA HB3 H 1 1.38331 . . 1 . . . . . 216 ALA HB . 27721 1
164 . 1 1 104 104 ALA CB C 13 21.11383 . . 1 . . . . . 216 ALA CB . 27721 1
165 . 1 1 106 106 LEU HD11 H 1 0.86208 . . 2 . . . . . 218 LEU HD1 . 27721 1
166 . 1 1 106 106 LEU HD12 H 1 0.86208 . . 2 . . . . . 218 LEU HD1 . 27721 1
167 . 1 1 106 106 LEU HD13 H 1 0.86208 . . 2 . . . . . 218 LEU HD1 . 27721 1
168 . 1 1 106 106 LEU HD21 H 1 0.89416 . . 2 . . . . . 218 LEU HD2 . 27721 1
169 . 1 1 106 106 LEU HD22 H 1 0.89416 . . 2 . . . . . 218 LEU HD2 . 27721 1
170 . 1 1 106 106 LEU HD23 H 1 0.89416 . . 2 . . . . . 218 LEU HD2 . 27721 1
171 . 1 1 106 106 LEU CD1 C 13 22.35629 . . 2 . . . . . 218 LEU CD1 . 27721 1
172 . 1 1 106 106 LEU CD2 C 13 26.96058 . . 2 . . . . . 218 LEU CD2 . 27721 1
173 . 1 1 107 107 LEU HD11 H 1 0.96721 . . 2 . . . . . 219 LEU HD1 . 27721 1
174 . 1 1 107 107 LEU HD12 H 1 0.96721 . . 2 . . . . . 219 LEU HD1 . 27721 1
175 . 1 1 107 107 LEU HD13 H 1 0.96721 . . 2 . . . . . 219 LEU HD1 . 27721 1
176 . 1 1 107 107 LEU HD21 H 1 1.00026 . . 2 . . . . . 219 LEU HD2 . 27721 1
177 . 1 1 107 107 LEU HD22 H 1 1.00026 . . 2 . . . . . 219 LEU HD2 . 27721 1
178 . 1 1 107 107 LEU HD23 H 1 1.00026 . . 2 . . . . . 219 LEU HD2 . 27721 1
179 . 1 1 107 107 LEU CD1 C 13 24.82413 . . 2 . . . . . 219 LEU CD1 . 27721 1
180 . 1 1 107 107 LEU CD2 C 13 28.63271 . . 2 . . . . . 219 LEU CD2 . 27721 1
181 . 1 1 116 116 LEU HD11 H 1 -0.24106 . . 2 . . . . . 228 LEU HD1 . 27721 1
182 . 1 1 116 116 LEU HD12 H 1 -0.24106 . . 2 . . . . . 228 LEU HD1 . 27721 1
183 . 1 1 116 116 LEU HD13 H 1 -0.24106 . . 2 . . . . . 228 LEU HD1 . 27721 1
184 . 1 1 116 116 LEU HD21 H 1 0.34137 . . 2 . . . . . 228 LEU HD2 . 27721 1
185 . 1 1 116 116 LEU HD22 H 1 0.34137 . . 2 . . . . . 228 LEU HD2 . 27721 1
186 . 1 1 116 116 LEU HD23 H 1 0.34137 . . 2 . . . . . 228 LEU HD2 . 27721 1
187 . 1 1 116 116 LEU CD1 C 13 20.03117 . . 2 . . . . . 228 LEU CD1 . 27721 1
188 . 1 1 116 116 LEU CD2 C 13 24.34735 . . 2 . . . . . 228 LEU CD2 . 27721 1
189 . 1 1 119 119 ILE HG21 H 1 1.12782 . . 1 . . . . . 231 ILE HG . 27721 1
190 . 1 1 119 119 ILE HG22 H 1 1.12782 . . 1 . . . . . 231 ILE HG . 27721 1
191 . 1 1 119 119 ILE HG23 H 1 1.12782 . . 1 . . . . . 231 ILE HG . 27721 1
192 . 1 1 119 119 ILE HD11 H 1 0.94963 . . 1 . . . . . 231 ILE HD . 27721 1
193 . 1 1 119 119 ILE HD12 H 1 0.94963 . . 1 . . . . . 231 ILE HD . 27721 1
194 . 1 1 119 119 ILE HD13 H 1 0.94963 . . 1 . . . . . 231 ILE HD . 27721 1
195 . 1 1 119 119 ILE CG2 C 13 19.22935 . . 1 . . . . . 231 ILE CG2 . 27721 1
196 . 1 1 119 119 ILE CD1 C 13 15.11470 . . 1 . . . . . 231 ILE CD1 . 27721 1
197 . 1 1 122 122 LEU HD11 H 1 -0.32005 . . 2 . . . . . 234 LEU HD1 . 27721 1
198 . 1 1 122 122 LEU HD12 H 1 -0.32005 . . 2 . . . . . 234 LEU HD1 . 27721 1
199 . 1 1 122 122 LEU HD13 H 1 -0.32005 . . 2 . . . . . 234 LEU HD1 . 27721 1
200 . 1 1 122 122 LEU HD21 H 1 0.59310 . . 2 . . . . . 234 LEU HD2 . 27721 1
201 . 1 1 122 122 LEU HD22 H 1 0.59310 . . 2 . . . . . 234 LEU HD2 . 27721 1
202 . 1 1 122 122 LEU HD23 H 1 0.59310 . . 2 . . . . . 234 LEU HD2 . 27721 1
203 . 1 1 122 122 LEU CD1 C 13 22.14133 . . 2 . . . . . 234 LEU CD1 . 27721 1
204 . 1 1 122 122 LEU CD2 C 13 26.83792 . . 2 . . . . . 234 LEU CD2 . 27721 1
205 . 1 1 124 124 ILE HG21 H 1 0.92605 . . 1 . . . . . 236 ILE HG . 27721 1
206 . 1 1 124 124 ILE HG22 H 1 0.92605 . . 1 . . . . . 236 ILE HG . 27721 1
207 . 1 1 124 124 ILE HG23 H 1 0.92605 . . 1 . . . . . 236 ILE HG . 27721 1
208 . 1 1 124 124 ILE HD11 H 1 0.92870 . . 1 . . . . . 236 ILE HD . 27721 1
209 . 1 1 124 124 ILE HD12 H 1 0.92870 . . 1 . . . . . 236 ILE HD . 27721 1
210 . 1 1 124 124 ILE HD13 H 1 0.92870 . . 1 . . . . . 236 ILE HD . 27721 1
211 . 1 1 124 124 ILE CG2 C 13 18.70219 . . 1 . . . . . 236 ILE CG2 . 27721 1
212 . 1 1 124 124 ILE CD1 C 13 16.01800 . . 1 . . . . . 236 ILE CD1 . 27721 1
213 . 1 1 130 130 LEU HD11 H 1 0.53541 . . 2 . . . . . 242 LEU HD1 . 27721 1
214 . 1 1 130 130 LEU HD12 H 1 0.53541 . . 2 . . . . . 242 LEU HD1 . 27721 1
215 . 1 1 130 130 LEU HD13 H 1 0.53541 . . 2 . . . . . 242 LEU HD1 . 27721 1
216 . 1 1 130 130 LEU CD1 C 13 27.49700 . . 2 . . . . . 242 LEU CD1 . 27721 1
217 . 1 1 136 136 THR HG21 H 1 1.17763 . . 1 . . . . . 248 THR HG . 27721 1
218 . 1 1 136 136 THR HG22 H 1 1.17763 . . 1 . . . . . 248 THR HG . 27721 1
219 . 1 1 136 136 THR HG23 H 1 1.17763 . . 1 . . . . . 248 THR HG . 27721 1
220 . 1 1 136 136 THR CG2 C 13 19.49425 . . 1 . . . . . 248 THR CG2 . 27721 1
221 . 1 1 137 137 MET HE1 H 1 2.09261 . . 1 . . . . . 249 MET HE . 27721 1
222 . 1 1 137 137 MET HE2 H 1 2.09261 . . 1 . . . . . 249 MET HE . 27721 1
223 . 1 1 137 137 MET HE3 H 1 2.09261 . . 1 . . . . . 249 MET HE . 27721 1
224 . 1 1 137 137 MET CE C 13 16.26847 . . 1 . . . . . 249 MET CE . 27721 1
225 . 1 1 138 138 ILE HG21 H 1 0.92245 . . 1 . . . . . 250 ILE HG . 27721 1
226 . 1 1 138 138 ILE HG22 H 1 0.92245 . . 1 . . . . . 250 ILE HG . 27721 1
227 . 1 1 138 138 ILE HG23 H 1 0.92245 . . 1 . . . . . 250 ILE HG . 27721 1
228 . 1 1 138 138 ILE HD11 H 1 0.89869 . . 1 . . . . . 250 ILE HD . 27721 1
229 . 1 1 138 138 ILE HD12 H 1 0.89869 . . 1 . . . . . 250 ILE HD . 27721 1
230 . 1 1 138 138 ILE HD13 H 1 0.89869 . . 1 . . . . . 250 ILE HD . 27721 1
231 . 1 1 138 138 ILE CG2 C 13 19.61446 . . 1 . . . . . 250 ILE CG2 . 27721 1
232 . 1 1 138 138 ILE CD1 C 13 15.08298 . . 1 . . . . . 250 ILE CD1 . 27721 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 27721
_Assigned_chem_shift_list.ID 2
_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
;
Additional rows:
96 77 9.12292 123.59917 (133Thr/211Val)H (133Thr/211Val)N
97 67 8.70883 117.36403 (144Arg/164Asn)H (144Arg/164Asn)N
98 84 9.33081 125.28047 (149Phe/201Gln)H (149Phe/201Gln)N
99 71 8.92367 127.96729 (156Ala/218Leu)H (156Ala/218Leu)N
100 103 8.97709 125.60254 (165Glu/221Tyr)H (165Glu/221Tyr)N
101 90 8.77895 124.75250 (171Ile/183Arg)H (171Ile/183Arg)N
102 92 7.81523 117.82863 (180Asn/196Lys)H (180Asn/196Lys)N
103 96 9.24174 119.98277 (193Glu/237Ser)H (193Glu/237Ser)N
104 75 8.38642 128.28080 (205Glu/138Val)H (205Glu/138Val)N
105 101 8.62171 124.77601 (234Leu/250Ile)H (234Leu/250Ile)N
;
_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 HNCACB' . . isotropic 27721 2
2 '2D 1H-15N HSQC' . . isotropic 27721 2
3 '3D HCCH-COSY' . . isotropic 27721 2
4 '2D 1H-13C HSQC' . . isotropic 27721 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 3 3 ILE H H 1 8.30227 . . 1 . . . . . 115 ILE H . 27721 2
2 . 1 1 3 3 ILE N N 15 122.96635 . . 1 . . . . . 115 ILE N . 27721 2
3 . 1 1 4 4 VAL H H 1 7.89719 . . 1 . . . . . 116 VAL H . 27721 2
4 . 1 1 4 4 VAL N N 15 122.34928 . . 1 . . . . . 116 VAL N . 27721 2
5 . 1 1 6 6 TYR H H 1 9.18155 . . 1 . . . . . 118 TYR H . 27721 2
6 . 1 1 6 6 TYR N N 15 125.87254 . . 1 . . . . . 118 TYR N . 27721 2
7 . 1 1 7 7 ASN H H 1 7.76593 . . 1 . . . . . 119 ASN H . 27721 2
8 . 1 1 7 7 ASN N N 15 126.12850 . . 1 . . . . . 119 ASN N . 27721 2
9 . 1 1 8 8 LEU H H 1 9.39509 . . 1 . . . . . 120 LEU H . 27721 2
10 . 1 1 8 8 LEU N N 15 128.00515 . . 1 . . . . . 120 LEU N . 27721 2
11 . 1 1 10 10 LEU H H 1 7.85611 . . 1 . . . . . 122 LEU H . 27721 2
12 . 1 1 10 10 LEU N N 15 122.37509 . . 1 . . . . . 122 LEU N . 27721 2
13 . 1 1 13 13 GLY H H 1 8.26132 . . 1 . . . . . 125 GLY H . 27721 2
14 . 1 1 13 13 GLY N N 15 108.89614 . . 1 . . . . . 125 GLY N . 27721 2
15 . 1 1 14 14 VAL H H 1 7.17240 . . 1 . . . . . 126 VAL H . 27721 2
16 . 1 1 14 14 VAL N N 15 113.41364 . . 1 . . . . . 126 VAL N . 27721 2
17 . 1 1 15 15 VAL H H 1 6.54348 . . 1 . . . . . 127 VAL H . 27721 2
18 . 1 1 15 15 VAL N N 15 116.67638 . . 1 . . . . . 127 VAL N . 27721 2
19 . 1 1 17 17 ARG H H 1 8.75950 . . 1 . . . . . 129 ARG H . 27721 2
20 . 1 1 17 17 ARG N N 15 112.50019 . . 1 . . . . . 129 ARG N . 27721 2
21 . 1 1 18 18 MET H H 1 7.88757 . . 1 . . . . . 130 MET H . 27721 2
22 . 1 1 18 18 MET N N 15 119.16306 . . 1 . . . . . 130 MET N . 27721 2
23 . 1 1 19 19 LEU H H 1 9.20991 . . 1 . . . . . 131 LEU H . 27721 2
24 . 1 1 19 19 LEU N N 15 128.53949 . . 1 . . . . . 131 LEU N . 27721 2
25 . 1 1 20 20 ILE H H 1 9.92886 . . 1 . . . . . 132 ILE H . 27721 2
26 . 1 1 20 20 ILE N N 15 132.32838 . . 1 . . . . . 132 ILE N . 27721 2
27 . 1 1 22 22 ILE H H 1 9.67625 . . 1 . . . . . 134 ILE H . 27721 2
28 . 1 1 22 22 ILE N N 15 130.04738 . . 1 . . . . . 134 ILE N . 27721 2
29 . 1 1 23 23 LEU H H 1 8.82022 . . 1 . . . . . 135 LEU H . 27721 2
30 . 1 1 23 23 LEU N N 15 126.99214 . . 1 . . . . . 135 LEU N . 27721 2
31 . 1 1 24 24 GLY H H 1 6.97113 . . 1 . . . . . 136 GLY H . 27721 2
32 . 1 1 24 24 GLY N N 15 108.53833 . . 1 . . . . . 136 GLY N . 27721 2
33 . 1 1 25 25 THR H H 1 8.95688 . . 1 . . . . . 137 THR H . 27721 2
34 . 1 1 25 25 THR N N 15 115.84927 . . 1 . . . . . 137 THR N . 27721 2
35 . 1 1 27 27 LYS H H 1 8.20312 . . 1 . . . . . 139 LYS H . 27721 2
36 . 1 1 27 27 LYS N N 15 128.53303 . . 1 . . . . . 139 LYS N . 27721 2
37 . 1 1 30 30 ALA H H 1 6.89697 . . 1 . . . . . 142 ALA H . 27721 2
38 . 1 1 30 30 ALA N N 15 119.37279 . . 1 . . . . . 142 ALA N . 27721 2
39 . 1 1 31 31 ASN H H 1 9.75100 . . 1 . . . . . 143 ASN H . 27721 2
40 . 1 1 31 31 ASN N N 15 116.62157 . . 1 . . . . . 143 ASN N . 27721 2
41 . 1 1 33 33 ILE H H 1 8.15630 . . 1 . . . . . 145 ILE H . 27721 2
42 . 1 1 33 33 ILE N N 15 119.84103 . . 1 . . . . . 145 ILE N . 27721 2
43 . 1 1 34 34 ALA H H 1 8.74493 . . 1 . . . . . 146 ALA H . 27721 2
44 . 1 1 34 34 ALA N N 15 126.56137 . . 1 . . . . . 146 ALA N . 27721 2
45 . 1 1 35 35 LEU H H 1 8.34703 . . 1 . . . . . 147 LEU H . 27721 2
46 . 1 1 35 35 LEU N N 15 121.16214 . . 1 . . . . . 147 LEU N . 27721 2
47 . 1 1 36 36 ASP H H 1 9.04894 . . 1 . . . . . 148 ASP H . 27721 2
48 . 1 1 36 36 ASP N N 15 120.71331 . . 1 . . . . . 148 ASP N . 27721 2
49 . 1 1 38 38 GLN H H 1 9.16018 . . 1 . . . . . 150 GLN H . 27721 2
50 . 1 1 38 38 GLN N N 15 127.30271 . . 1 . . . . . 150 GLN N . 27721 2
51 . 1 1 39 39 ARG H H 1 8.16260 . . 1 . . . . . 151 ARG H . 27721 2
52 . 1 1 39 39 ARG N N 15 125.51470 . . 1 . . . . . 151 ARG N . 27721 2
53 . 1 1 42 42 ASP H H 1 8.47127 . . 1 . . . . . 154 ASP H . 27721 2
54 . 1 1 42 42 ASP N N 15 119.92738 . . 1 . . . . . 154 ASP N . 27721 2
55 . 1 1 43 43 VAL H H 1 9.25108 . . 1 . . . . . 155 VAL H . 27721 2
56 . 1 1 43 43 VAL N N 15 121.01172 . . 1 . . . . . 155 VAL N . 27721 2
57 . 1 1 45 45 PHE H H 1 7.64641 . . 1 . . . . . 157 PHE H . 27721 2
58 . 1 1 45 45 PHE N N 15 118.80686 . . 1 . . . . . 157 PHE N . 27721 2
59 . 1 1 46 46 HIS H H 1 9.30875 . . 1 . . . . . 158 HIS H . 27721 2
60 . 1 1 46 46 HIS N N 15 133.45465 . . 1 . . . . . 158 HIS N . 27721 2
61 . 1 1 47 47 PHE H H 1 8.44827 . . 1 . . . . . 159 PHE H . 27721 2
62 . 1 1 47 47 PHE N N 15 127.17909 . . 1 . . . . . 159 PHE N . 27721 2
63 . 1 1 48 48 ASN H H 1 8.55137 . . 1 . . . . . 160 ASN H . 27721 2
64 . 1 1 48 48 ASN N N 15 123.10630 . . 1 . . . . . 160 ASN N . 27721 2
65 . 1 1 51 51 PHE H H 1 8.24804 . . 1 . . . . . 163 PHE H . 27721 2
66 . 1 1 51 51 PHE N N 15 118.71599 . . 1 . . . . . 163 PHE N . 27721 2
67 . 1 1 55 55 ASN H H 1 8.02746 . . 1 . . . . . 167 ASN H . 27721 2
68 . 1 1 55 55 ASN N N 15 108.03516 . . 1 . . . . . 167 ASN N . 27721 2
69 . 1 1 56 56 ARG H H 1 7.41750 . . 1 . . . . . 168 ARG H . 27721 2
70 . 1 1 56 56 ARG N N 15 117.12311 . . 1 . . . . . 168 ARG N . 27721 2
71 . 1 1 57 57 ARG H H 1 7.91383 . . 1 . . . . . 169 ARG H . 27721 2
72 . 1 1 57 57 ARG N N 15 118.99293 . . 1 . . . . . 169 ARG N . 27721 2
73 . 1 1 58 58 VAL H H 1 8.63685 . . 1 . . . . . 170 VAL H . 27721 2
74 . 1 1 58 58 VAL N N 15 121.90226 . . 1 . . . . . 170 VAL N . 27721 2
75 . 1 1 60 60 VAL H H 1 7.26470 . . 1 . . . . . 172 VAL H . 27721 2
76 . 1 1 60 60 VAL N N 15 128.04545 . . 1 . . . . . 172 VAL N . 27721 2
77 . 1 1 61 61 CYS H H 1 8.84355 . . 1 . . . . . 173 CYS H . 27721 2
78 . 1 1 61 61 CYS N N 15 123.84212 . . 1 . . . . . 173 CYS N . 27721 2
79 . 1 1 62 62 ASN H H 1 9.01921 . . 1 . . . . . 174 ASN H . 27721 2
80 . 1 1 62 62 ASN N N 15 119.35977 . . 1 . . . . . 174 ASN N . 27721 2
81 . 1 1 63 63 THR H H 1 9.99110 . . 1 . . . . . 175 THR H . 27721 2
82 . 1 1 63 63 THR N N 15 118.57709 . . 1 . . . . . 175 THR N . 27721 2
83 . 1 1 64 64 LYS H H 1 9.09903 . . 1 . . . . . 176 LYS H . 27721 2
84 . 1 1 64 64 LYS N N 15 130.56862 . . 1 . . . . . 176 LYS N . 27721 2
85 . 1 1 65 65 LEU H H 1 7.96347 . . 1 . . . . . 177 LEU H . 27721 2
86 . 1 1 65 65 LEU N N 15 126.20076 . . 1 . . . . . 177 LEU N . 27721 2
87 . 1 1 66 66 ASP H H 1 9.04049 . . 1 . . . . . 178 ASP H . 27721 2
88 . 1 1 66 66 ASP N N 15 126.06574 . . 1 . . . . . 178 ASP N . 27721 2
89 . 1 1 67 67 ASN H H 1 9.22583 . . 1 . . . . . 179 ASN H . 27721 2
90 . 1 1 67 67 ASN N N 15 108.49732 . . 1 . . . . . 179 ASN N . 27721 2
91 . 1 1 69 69 TRP H H 1 8.98829 . . 1 . . . . . 181 TRP H . 27721 2
92 . 1 1 69 69 TRP N N 15 126.89176 . . 1 . . . . . 181 TRP N . 27721 2
93 . 1 1 70 70 GLY H H 1 8.26764 . . 1 . . . . . 182 GLY H . 27721 2
94 . 1 1 70 70 GLY N N 15 110.23237 . . 1 . . . . . 182 GLY N . 27721 2
95 . 1 1 74 74 ARG H H 1 8.89989 . . 1 . . . . . 186 ARG H . 27721 2
96 . 1 1 74 74 ARG N N 15 124.47298 . . 1 . . . . . 186 ARG N . 27721 2
97 . 1 1 75 75 GLN H H 1 8.77507 . . 1 . . . . . 187 GLN H . 27721 2
98 . 1 1 75 75 GLN N N 15 121.69018 . . 1 . . . . . 187 GLN N . 27721 2
99 . 1 1 77 77 VAL H H 1 7.90589 . . 1 . . . . . 189 VAL H . 27721 2
100 . 1 1 77 77 VAL N N 15 125.49902 . . 1 . . . . . 189 VAL N . 27721 2
101 . 1 1 78 78 PHE H H 1 8.37198 . . 1 . . . . . 190 PHE H . 27721 2
102 . 1 1 78 78 PHE N N 15 125.66614 . . 1 . . . . . 190 PHE N . 27721 2
103 . 1 1 80 80 PHE H H 1 5.81647 . . 1 . . . . . 192 PHE H . 27721 2
104 . 1 1 80 80 PHE N N 15 113.84246 . . 1 . . . . . 192 PHE N . 27721 2
105 . 1 1 82 82 SER H H 1 9.08352 . . 1 . . . . . 194 SER H . 27721 2
106 . 1 1 82 82 SER N N 15 120.60534 . . 1 . . . . . 194 SER N . 27721 2
107 . 1 1 83 83 GLY H H 1 7.10550 . . 1 . . . . . 195 GLY H . 27721 2
108 . 1 1 83 83 GLY N N 15 112.60660 . . 1 . . . . . 195 GLY N . 27721 2
109 . 1 1 86 86 PHE H H 1 8.76983 . . 1 . . . . . 198 PHE H . 27721 2
110 . 1 1 86 86 PHE N N 15 116.27161 . . 1 . . . . . 198 PHE N . 27721 2
111 . 1 1 87 87 LYS H H 1 8.18175 . . 1 . . . . . 199 LYS H . 27721 2
112 . 1 1 87 87 LYS N N 15 121.63368 . . 1 . . . . . 199 LYS N . 27721 2
113 . 1 1 88 88 ILE H H 1 9.83368 . . 1 . . . . . 200 ILE H . 27721 2
114 . 1 1 88 88 ILE N N 15 127.39509 . . 1 . . . . . 200 ILE N . 27721 2
115 . 1 1 90 90 VAL H H 1 9.58856 . . 1 . . . . . 202 VAL H . 27721 2
116 . 1 1 90 90 VAL N N 15 124.01695 . . 1 . . . . . 202 VAL N . 27721 2
117 . 1 1 91 91 LEU H H 1 9.48850 . . 1 . . . . . 203 LEU H . 27721 2
118 . 1 1 91 91 LEU N N 15 130.45892 . . 1 . . . . . 203 LEU N . 27721 2
119 . 1 1 92 92 VAL H H 1 9.03852 . . 1 . . . . . 204 VAL H . 27721 2
120 . 1 1 92 92 VAL N N 15 127.51757 . . 1 . . . . . 204 VAL N . 27721 2
121 . 1 1 95 95 ASP H H 1 8.02593 . . 1 . . . . . 207 ASP H . 27721 2
122 . 1 1 95 95 ASP N N 15 107.02531 . . 1 . . . . . 207 ASP N . 27721 2
123 . 1 1 96 96 HIS H H 1 6.51460 . . 1 . . . . . 208 HIS H . 27721 2
124 . 1 1 96 96 HIS N N 15 116.21357 . . 1 . . . . . 208 HIS N . 27721 2
125 . 1 1 97 97 PHE H H 1 8.56764 . . 1 . . . . . 209 PHE H . 27721 2
126 . 1 1 97 97 PHE N N 15 114.66645 . . 1 . . . . . 209 PHE N . 27721 2
127 . 1 1 98 98 LYS H H 1 9.71688 . . 1 . . . . . 210 LYS H . 27721 2
128 . 1 1 98 98 LYS N N 15 123.65586 . . 1 . . . . . 210 LYS N . 27721 2
129 . 1 1 100 100 ALA H H 1 9.29542 . . 1 . . . . . 212 ALA H . 27721 2
130 . 1 1 100 100 ALA N N 15 130.39565 . . 1 . . . . . 212 ALA N . 27721 2
131 . 1 1 101 101 VAL H H 1 8.50959 . . 1 . . . . . 213 VAL H . 27721 2
132 . 1 1 101 101 VAL N N 15 121.16933 . . 1 . . . . . 213 VAL N . 27721 2
133 . 1 1 102 102 ASN H H 1 9.92054 . . 1 . . . . . 214 ASN H . 27721 2
134 . 1 1 102 102 ASN N N 15 127.44239 . . 1 . . . . . 214 ASN N . 27721 2
135 . 1 1 103 103 ASP H H 1 8.98471 . . 1 . . . . . 215 ASP H . 27721 2
136 . 1 1 103 103 ASP N N 15 107.72936 . . 1 . . . . . 215 ASP N . 27721 2
137 . 1 1 104 104 ALA H H 1 7.68960 . . 1 . . . . . 216 ALA H . 27721 2
138 . 1 1 104 104 ALA N N 15 121.43810 . . 1 . . . . . 216 ALA N . 27721 2
139 . 1 1 107 107 LEU H H 1 7.57620 . . 1 . . . . . 219 LEU H . 27721 2
140 . 1 1 107 107 LEU N N 15 110.00169 . . 1 . . . . . 219 LEU N . 27721 2
141 . 1 1 108 108 GLN H H 1 8.78115 . . 1 . . . . . 220 GLN H . 27721 2
142 . 1 1 108 108 GLN N N 15 119.10285 . . 1 . . . . . 220 GLN N . 27721 2
143 . 1 1 110 110 ASN H H 1 9.36882 . . 1 . . . . . 222 ASN H . 27721 2
144 . 1 1 110 110 ASN N N 15 129.83743 . . 1 . . . . . 222 ASN N . 27721 2
145 . 1 1 111 111 HIS H H 1 7.17147 . . 1 . . . . . 223 HIS H . 27721 2
146 . 1 1 111 111 HIS N N 15 117.25954 . . 1 . . . . . 223 HIS N . 27721 2
147 . 1 1 112 112 ARG H H 1 9.48034 . . 1 . . . . . 224 ARG H . 27721 2
148 . 1 1 112 112 ARG N N 15 125.45055 . . 1 . . . . . 224 ARG N . 27721 2
149 . 1 1 113 113 VAL H H 1 8.37236 . . 1 . . . . . 225 VAL H . 27721 2
150 . 1 1 113 113 VAL N N 15 120.31820 . . 1 . . . . . 225 VAL N . 27721 2
151 . 1 1 115 115 LYS H H 1 7.09034 . . 1 . . . . . 227 LYS H . 27721 2
152 . 1 1 115 115 LYS N N 15 120.70203 . . 1 . . . . . 227 LYS N . 27721 2
153 . 1 1 116 116 LEU H H 1 7.65914 . . 1 . . . . . 228 LEU H . 27721 2
154 . 1 1 116 116 LEU N N 15 122.86773 . . 1 . . . . . 228 LEU N . 27721 2
155 . 1 1 117 117 ASN H H 1 8.42414 . . 1 . . . . . 229 ASN H . 27721 2
156 . 1 1 117 117 ASN N N 15 112.95488 . . 1 . . . . . 229 ASN N . 27721 2
157 . 1 1 118 118 GLU H H 1 7.43777 . . 1 . . . . . 230 GLU H . 27721 2
158 . 1 1 118 118 GLU N N 15 116.40990 . . 1 . . . . . 230 GLU N . 27721 2
159 . 1 1 119 119 ILE H H 1 7.70419 . . 1 . . . . . 231 ILE H . 27721 2
160 . 1 1 119 119 ILE N N 15 122.22863 . . 1 . . . . . 231 ILE N . 27721 2
161 . 1 1 120 120 SER H H 1 7.72997 . . 1 . . . . . 232 SER H . 27721 2
162 . 1 1 120 120 SER N N 15 116.20405 . . 1 . . . . . 232 SER N . 27721 2
163 . 1 1 121 121 LYS H H 1 7.88671 . . 1 . . . . . 233 LYS H . 27721 2
164 . 1 1 121 121 LYS N N 15 120.91280 . . 1 . . . . . 233 LYS N . 27721 2
165 . 1 1 123 123 GLY H H 1 9.37226 . . 1 . . . . . 235 GLY H . 27721 2
166 . 1 1 123 123 GLY N N 15 114.47994 . . 1 . . . . . 235 GLY N . 27721 2
167 . 1 1 126 126 GLY H H 1 9.07746 . . 1 . . . . . 238 GLY H . 27721 2
168 . 1 1 126 126 GLY N N 15 106.56162 . . 1 . . . . . 238 GLY N . 27721 2
169 . 1 1 127 127 ASP H H 1 8.76193 . . 1 . . . . . 239 ASP H . 27721 2
170 . 1 1 127 127 ASP N N 15 122.24701 . . 1 . . . . . 239 ASP N . 27721 2
171 . 1 1 128 128 ILE H H 1 8.03066 . . 1 . . . . . 240 ILE H . 27721 2
172 . 1 1 128 128 ILE N N 15 112.50699 . . 1 . . . . . 240 ILE N . 27721 2
173 . 1 1 129 129 ASP H H 1 8.92389 . . 1 . . . . . 241 ASP H . 27721 2
174 . 1 1 129 129 ASP N N 15 121.13707 . . 1 . . . . . 241 ASP N . 27721 2
175 . 1 1 130 130 LEU H H 1 9.30693 . . 1 . . . . . 242 LEU H . 27721 2
176 . 1 1 130 130 LEU N N 15 126.43267 . . 1 . . . . . 242 LEU N . 27721 2
177 . 1 1 131 131 THR H H 1 9.04915 . . 1 . . . . . 243 THR H . 27721 2
178 . 1 1 131 131 THR N N 15 121.57465 . . 1 . . . . . 243 THR N . 27721 2
179 . 1 1 132 132 SER H H 1 7.79809 . . 1 . . . . . 244 SER H . 27721 2
180 . 1 1 132 132 SER N N 15 111.93556 . . 1 . . . . . 244 SER N . 27721 2
181 . 1 1 133 133 ALA H H 1 8.30601 . . 1 . . . . . 245 ALA H . 27721 2
182 . 1 1 133 133 ALA N N 15 125.89016 . . 1 . . . . . 245 ALA N . 27721 2
183 . 1 1 134 134 SER H H 1 8.59783 . . 1 . . . . . 246 SER H . 27721 2
184 . 1 1 134 134 SER N N 15 115.17340 . . 1 . . . . . 246 SER N . 27721 2
185 . 1 1 135 135 TYR H H 1 8.38187 . . 1 . . . . . 247 TYR H . 27721 2
186 . 1 1 135 135 TYR N N 15 115.23777 . . 1 . . . . . 247 TYR N . 27721 2
187 . 1 1 136 136 THR H H 1 8.90450 . . 1 . . . . . 248 THR H . 27721 2
188 . 1 1 136 136 THR N N 15 114.97845 . . 1 . . . . . 248 THR N . 27721 2
189 . 1 1 137 137 MET H H 1 8.15171 . . 1 . . . . . 249 MET H . 27721 2
190 . 1 1 137 137 MET N N 15 120.88936 . . 1 . . . . . 249 MET N . 27721 2
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