###################################
# 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 18971
_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 .
_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' . . . 18971 1
3 '3D CBCA(CO)NH' . . . 18971 1
4 '3D C(CO)NH' . . . 18971 1
5 '3D HNCO' . . . 18971 1
6 '3D HNCACB' . . . 18971 1
7 '3D H(CCO)NH' . . . 18971 1
8 '3D HCCH-TOCSY' . . . 18971 1
10 '3D 1H-15N TOCSY' . . . 18971 1
36 '2D HBCBCGCDHD' . . . 18971 1
37 '2D HBCBCGCDCEHE' . . . 18971 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY HA2 H 1 3.886 0.000 . 2 . . . . 416 GLY HA2 . 18971 1
2 . 1 1 1 1 GLY C C 13 176.768 0.000 . 1 . . . . 416 GLY C . 18971 1
3 . 1 1 1 1 GLY CA C 13 43.629 0.002 . 1 . . . . 416 GLY CA . 18971 1
4 . 1 1 1 1 GLY N N 15 115.565 0.000 . 1 . . . . 416 GLY N . 18971 1
5 . 1 1 2 2 SER H H 1 7.225 0.000 . 1 . . . . 417 SER H . 18971 1
6 . 1 1 2 2 SER HA H 1 4.501 0.000 . 1 . . . . 417 SER HA . 18971 1
7 . 1 1 2 2 SER HB2 H 1 3.859 0.000 . 2 . . . . 417 SER HB2 . 18971 1
8 . 1 1 2 2 SER HB3 H 1 3.910 0.000 . 2 . . . . 417 SER HB3 . 18971 1
9 . 1 1 2 2 SER CA C 13 58.637 0.000 . 1 . . . . 417 SER CA . 18971 1
10 . 1 1 2 2 SER CB C 13 63.931 0.005 . 1 . . . . 417 SER CB . 18971 1
11 . 1 1 2 2 SER N N 15 117.926 0.000 . 1 . . . . 417 SER N . 18971 1
12 . 1 1 3 3 MET H H 1 7.443 0.000 . 1 . . . . 418 MET H . 18971 1
13 . 1 1 3 3 MET HA H 1 4.482 0.000 . 1 . . . . 418 MET HA . 18971 1
14 . 1 1 3 3 MET HB2 H 1 2.038 0.000 . 2 . . . . 418 MET HB2 . 18971 1
15 . 1 1 3 3 MET HB3 H 1 2.100 0.000 . 2 . . . . 418 MET HB3 . 18971 1
16 . 1 1 3 3 MET HG2 H 1 2.541 0.000 . 2 . . . . 418 MET HG2 . 18971 1
17 . 1 1 3 3 MET HG3 H 1 2.613 0.000 . 2 . . . . 418 MET HG3 . 18971 1
18 . 1 1 3 3 MET C C 13 176.710 0.000 . 1 . . . . 418 MET C . 18971 1
19 . 1 1 3 3 MET CA C 13 56.041 0.000 . 1 . . . . 418 MET CA . 18971 1
20 . 1 1 3 3 MET CB C 13 32.668 0.000 . 1 . . . . 418 MET CB . 18971 1
21 . 1 1 3 3 MET CG C 13 32.082 0.000 . 1 . . . . 418 MET CG . 18971 1
22 . 1 1 3 3 MET N N 15 121.646 0.000 . 1 . . . . 418 MET N . 18971 1
23 . 1 1 4 4 GLU H H 1 8.500 0.000 . 1 . . . . 419 GLU H . 18971 1
24 . 1 1 4 4 GLU HA H 1 4.212 0.000 . 1 . . . . 419 GLU HA . 18971 1
25 . 1 1 4 4 GLU HB2 H 1 1.961 0.000 . 2 . . . . 419 GLU HB2 . 18971 1
26 . 1 1 4 4 GLU HB3 H 1 2.042 0.000 . 2 . . . . 419 GLU HB3 . 18971 1
27 . 1 1 4 4 GLU HG2 H 1 2.272 0.000 . 2 . . . . 419 GLU QG . 18971 1
28 . 1 1 4 4 GLU HG3 H 1 2.272 0.000 . 2 . . . . 419 GLU QG . 18971 1
29 . 1 1 4 4 GLU C C 13 176.711 0.000 . 1 . . . . 419 GLU C . 18971 1
30 . 1 1 4 4 GLU CA C 13 57.199 0.000 . 1 . . . . 419 GLU CA . 18971 1
31 . 1 1 4 4 GLU CB C 13 29.918 0.004 . 1 . . . . 419 GLU CB . 18971 1
32 . 1 1 4 4 GLU CG C 13 36.459 0.000 . 1 . . . . 419 GLU CG . 18971 1
33 . 1 1 4 4 GLU N N 15 121.775 0.000 . 1 . . . . 419 GLU N . 18971 1
34 . 1 1 5 5 GLN H H 1 8.287 0.000 . 1 . . . . 420 GLN H . 18971 1
35 . 1 1 5 5 GLN HA H 1 4.299 0.000 . 1 . . . . 420 GLN HA . 18971 1
36 . 1 1 5 5 GLN HB2 H 1 2.114 0.000 . 2 . . . . 420 GLN HB2 . 18971 1
37 . 1 1 5 5 GLN HB3 H 1 1.959 0.000 . 2 . . . . 420 GLN HB3 . 18971 1
38 . 1 1 5 5 GLN HG2 H 1 2.361 0.000 . 2 . . . . 420 GLN QG . 18971 1
39 . 1 1 5 5 GLN HG3 H 1 2.361 0.000 . 2 . . . . 420 GLN QG . 18971 1
40 . 1 1 5 5 GLN HE21 H 1 7.527 0.000 . 2 . . . . 420 GLN HE21 . 18971 1
41 . 1 1 5 5 GLN HE22 H 1 6.894 0.000 . 2 . . . . 420 GLN HE22 . 18971 1
42 . 1 1 5 5 GLN C C 13 176.358 0.000 . 1 . . . . 420 GLN C . 18971 1
43 . 1 1 5 5 GLN CA C 13 56.088 0.000 . 1 . . . . 420 GLN CA . 18971 1
44 . 1 1 5 5 GLN CB C 13 29.597 0.008 . 1 . . . . 420 GLN CB . 18971 1
45 . 1 1 5 5 GLN CG C 13 33.994 0.000 . 1 . . . . 420 GLN CG . 18971 1
46 . 1 1 5 5 GLN N N 15 120.291 0.000 . 1 . . . . 420 GLN N . 18971 1
47 . 1 1 5 5 GLN NE2 N 15 112.321 0.000 . 1 . . . . 420 GLN NE2 . 18971 1
48 . 1 1 6 6 GLY H H 1 8.273 0.000 . 1 . . . . 421 GLY H . 18971 1
49 . 1 1 6 6 GLY HA2 H 1 3.860 0.000 . 2 . . . . 421 GLY QA . 18971 1
50 . 1 1 6 6 GLY HA3 H 1 3.860 0.000 . 2 . . . . 421 GLY QA . 18971 1
51 . 1 1 6 6 GLY C C 13 173.690 0.000 . 1 . . . . 421 GLY C . 18971 1
52 . 1 1 6 6 GLY CA C 13 45.055 0.000 . 1 . . . . 421 GLY CA . 18971 1
53 . 1 1 6 6 GLY N N 15 108.631 0.000 . 1 . . . . 421 GLY N . 18971 1
54 . 1 1 7 7 PHE H H 1 8.040 0.000 . 1 . . . . 422 PHE H . 18971 1
55 . 1 1 7 7 PHE HA H 1 4.640 0.000 . 1 . . . . 422 PHE HA . 18971 1
56 . 1 1 7 7 PHE HB2 H 1 2.969 0.000 . 2 . . . . 422 PHE HB2 . 18971 1
57 . 1 1 7 7 PHE HB3 H 1 3.230 0.000 . 2 . . . . 422 PHE HB3 . 18971 1
58 . 1 1 7 7 PHE HD1 H 1 7.285 0.000 . 3 . . . . 422 PHE QD . 18971 1
59 . 1 1 7 7 PHE HD2 H 1 7.285 0.000 . 3 . . . . 422 PHE QD . 18971 1
60 . 1 1 7 7 PHE HE1 H 1 7.372 0.000 . 3 . . . . 422 PHE QE . 18971 1
61 . 1 1 7 7 PHE HE2 H 1 7.372 0.000 . 3 . . . . 422 PHE QE . 18971 1
62 . 1 1 7 7 PHE C C 13 176.194 0.000 . 1 . . . . 422 PHE C . 18971 1
63 . 1 1 7 7 PHE CA C 13 57.267 0.000 . 1 . . . . 422 PHE CA . 18971 1
64 . 1 1 7 7 PHE CB C 13 39.305 0.012 . 1 . . . . 422 PHE CB . 18971 1
65 . 1 1 7 7 PHE N N 15 119.222 0.000 . 1 . . . . 422 PHE N . 18971 1
66 . 1 1 8 8 LEU H H 1 8.593 0.000 . 1 . . . . 423 LEU H . 18971 1
67 . 1 1 8 8 LEU HA H 1 4.240 0.000 . 1 . . . . 423 LEU HA . 18971 1
68 . 1 1 8 8 LEU HB2 H 1 1.500 0.000 . 2 . . . . 423 LEU HB2 . 18971 1
69 . 1 1 8 8 LEU HB3 H 1 1.789 0.000 . 2 . . . . 423 LEU HB3 . 18971 1
70 . 1 1 8 8 LEU HG H 1 1.062 0.000 . 1 . . . . 423 LEU HG . 18971 1
71 . 1 1 8 8 LEU HD11 H 1 0.859 0.000 . 0 . . . . 423 LEU QQD . 18971 1
72 . 1 1 8 8 LEU HD12 H 1 0.859 0.000 . 0 . . . . 423 LEU QQD . 18971 1
73 . 1 1 8 8 LEU HD13 H 1 0.859 0.000 . 0 . . . . 423 LEU QQD . 18971 1
74 . 1 1 8 8 LEU HD21 H 1 0.859 0.000 . 0 . . . . 423 LEU QQD . 18971 1
75 . 1 1 8 8 LEU HD22 H 1 0.859 0.000 . 0 . . . . 423 LEU QQD . 18971 1
76 . 1 1 8 8 LEU HD23 H 1 0.859 0.000 . 0 . . . . 423 LEU QQD . 18971 1
77 . 1 1 8 8 LEU C C 13 174.266 0.000 . 1 . . . . 423 LEU C . 18971 1
78 . 1 1 8 8 LEU CA C 13 53.167 0.000 . 1 . . . . 423 LEU CA . 18971 1
79 . 1 1 8 8 LEU CB C 13 41.996 0.006 . 1 . . . . 423 LEU CB . 18971 1
80 . 1 1 8 8 LEU CG C 13 26.045 0.000 . 1 . . . . 423 LEU CG . 18971 1
81 . 1 1 8 8 LEU CD1 C 13 23.962 0.000 . 2 . . . . 423 LEU CD1 . 18971 1
82 . 1 1 8 8 LEU CD2 C 13 23.962 0.000 . 2 . . . . 423 LEU CD2 . 18971 1
83 . 1 1 8 8 LEU N N 15 123.164 0.000 . 1 . . . . 423 LEU N . 18971 1
84 . 1 1 9 9 PRO HA H 1 4.491 0.000 . 1 . . . . 424 PRO HA . 18971 1
85 . 1 1 9 9 PRO HB2 H 1 1.936 0.000 . 2 . . . . 424 PRO HB2 . 18971 1
86 . 1 1 9 9 PRO HB3 H 1 2.400 0.000 . 2 . . . . 424 PRO HB3 . 18971 1
87 . 1 1 9 9 PRO HG2 H 1 1.643 0.000 . 2 . . . . 424 PRO HG2 . 18971 1
88 . 1 1 9 9 PRO HG3 H 1 1.217 0.000 . 2 . . . . 424 PRO HG3 . 18971 1
89 . 1 1 9 9 PRO HD2 H 1 3.328 0.000 . 2 . . . . 424 PRO HD2 . 18971 1
90 . 1 1 9 9 PRO HD3 H 1 2.733 0.000 . 2 . . . . 424 PRO HD3 . 18971 1
91 . 1 1 9 9 PRO C C 13 175.593 0.000 . 1 . . . . 424 PRO C . 18971 1
92 . 1 1 9 9 PRO CA C 13 61.987 0.000 . 1 . . . . 424 PRO CA . 18971 1
93 . 1 1 9 9 PRO CB C 13 31.277 0.010 . 1 . . . . 424 PRO CB . 18971 1
94 . 1 1 9 9 PRO CG C 13 26.937 0.000 . 1 . . . . 424 PRO CG . 18971 1
95 . 1 1 9 9 PRO CD C 13 50.037 0.001 . 1 . . . . 424 PRO CD . 18971 1
96 . 1 1 9 9 PRO N N 15 134.105 0.000 . 1 . . . . 424 PRO N . 18971 1
97 . 1 1 10 10 LYS H H 1 8.462 0.000 . 1 . . . . 425 LYS H . 18971 1
98 . 1 1 10 10 LYS HA H 1 4.224 0.000 . 1 . . . . 425 LYS HA . 18971 1
99 . 1 1 10 10 LYS HB2 H 1 1.895 0.000 . 2 . . . . 425 LYS HB2 . 18971 1
100 . 1 1 10 10 LYS HB3 H 1 1.948 0.000 . 2 . . . . 425 LYS HB3 . 18971 1
101 . 1 1 10 10 LYS HG2 H 1 1.641 0.000 . 2 . . . . 425 LYS HG2 . 18971 1
102 . 1 1 10 10 LYS HG3 H 1 1.585 0.000 . 2 . . . . 425 LYS HG3 . 18971 1
103 . 1 1 10 10 LYS HD2 H 1 1.786 0.000 . 2 . . . . 425 LYS QD . 18971 1
104 . 1 1 10 10 LYS HD3 H 1 1.786 0.000 . 2 . . . . 425 LYS QD . 18971 1
105 . 1 1 10 10 LYS HE2 H 1 3.066 0.000 . 2 . . . . 425 LYS QE . 18971 1
106 . 1 1 10 10 LYS HE3 H 1 3.066 0.000 . 2 . . . . 425 LYS QE . 18971 1
107 . 1 1 10 10 LYS C C 13 178.817 0.000 . 1 . . . . 425 LYS C . 18971 1
108 . 1 1 10 10 LYS CA C 13 58.361 0.000 . 1 . . . . 425 LYS CA . 18971 1
109 . 1 1 10 10 LYS CB C 13 32.455 0.003 . 1 . . . . 425 LYS CB . 18971 1
110 . 1 1 10 10 LYS CG C 13 24.764 0.003 . 1 . . . . 425 LYS CG . 18971 1
111 . 1 1 10 10 LYS CD C 13 29.369 0.000 . 1 . . . . 425 LYS CD . 18971 1
112 . 1 1 10 10 LYS CE C 13 42.181 0.000 . 1 . . . . 425 LYS CE . 18971 1
113 . 1 1 10 10 LYS N N 15 121.258 0.000 . 1 . . . . 425 LYS N . 18971 1
114 . 1 1 11 11 GLY H H 1 9.200 0.000 . 1 . . . . 426 GLY H . 18971 1
115 . 1 1 11 11 GLY HA2 H 1 4.354 0.000 . 2 . . . . 426 GLY HA2 . 18971 1
116 . 1 1 11 11 GLY HA3 H 1 3.937 0.000 . 2 . . . . 426 GLY HA3 . 18971 1
117 . 1 1 11 11 GLY C C 13 172.319 0.000 . 1 . . . . 426 GLY C . 18971 1
118 . 1 1 11 11 GLY CA C 13 45.834 0.004 . 1 . . . . 426 GLY CA . 18971 1
119 . 1 1 11 11 GLY N N 15 114.163 0.000 . 1 . . . . 426 GLY N . 18971 1
120 . 1 1 12 12 TRP H H 1 7.940 0.000 . 1 . . . . 427 TRP H . 18971 1
121 . 1 1 12 12 TRP HA H 1 6.282 0.000 . 1 . . . . 427 TRP HA . 18971 1
122 . 1 1 12 12 TRP HB2 H 1 3.179 0.000 . 2 . . . . 427 TRP HB2 . 18971 1
123 . 1 1 12 12 TRP HB3 H 1 3.367 0.000 . 2 . . . . 427 TRP HB3 . 18971 1
124 . 1 1 12 12 TRP HD1 H 1 7.367 0.000 . 1 . . . . 427 TRP HD1 . 18971 1
125 . 1 1 12 12 TRP HE1 H 1 10.415 0.000 . 1 . . . . 427 TRP HE1 . 18971 1
126 . 1 1 12 12 TRP HZ2 H 1 7.185 0.000 . 1 . . . . 427 TRP HZ2 . 18971 1
127 . 1 1 12 12 TRP C C 13 177.437 0.000 . 1 . . . . 427 TRP C . 18971 1
128 . 1 1 12 12 TRP CA C 13 56.114 0.000 . 1 . . . . 427 TRP CA . 18971 1
129 . 1 1 12 12 TRP CB C 13 31.792 0.027 . 1 . . . . 427 TRP CB . 18971 1
130 . 1 1 12 12 TRP N N 15 117.554 0.000 . 1 . . . . 427 TRP N . 18971 1
131 . 1 1 12 12 TRP NE1 N 15 130.130 0.000 . 1 . . . . 427 TRP NE1 . 18971 1
132 . 1 1 13 13 GLU H H 1 9.384 0.000 . 1 . . . . 428 GLU H . 18971 1
133 . 1 1 13 13 GLU HA H 1 4.862 0.000 . 1 . . . . 428 GLU HA . 18971 1
134 . 1 1 13 13 GLU HB2 H 1 2.102 0.000 . 2 . . . . 428 GLU QB . 18971 1
135 . 1 1 13 13 GLU HB3 H 1 2.102 0.000 . 2 . . . . 428 GLU QB . 18971 1
136 . 1 1 13 13 GLU HG2 H 1 2.375 0.000 . 2 . . . . 428 GLU HG2 . 18971 1
137 . 1 1 13 13 GLU HG3 H 1 2.220 0.000 . 2 . . . . 428 GLU HG3 . 18971 1
138 . 1 1 13 13 GLU C C 13 173.319 0.000 . 1 . . . . 428 GLU C . 18971 1
139 . 1 1 13 13 GLU CA C 13 55.107 0.000 . 1 . . . . 428 GLU CA . 18971 1
140 . 1 1 13 13 GLU CB C 13 35.349 0.000 . 1 . . . . 428 GLU CB . 18971 1
141 . 1 1 13 13 GLU CG C 13 37.063 0.000 . 1 . . . . 428 GLU CG . 18971 1
142 . 1 1 13 13 GLU N N 15 120.564 0.000 . 1 . . . . 428 GLU N . 18971 1
143 . 1 1 14 14 VAL H H 1 8.562 0.000 . 1 . . . . 429 VAL H . 18971 1
144 . 1 1 14 14 VAL HA H 1 4.847 0.000 . 1 . . . . 429 VAL HA . 18971 1
145 . 1 1 14 14 VAL HB H 1 1.841 0.000 . 1 . . . . 429 VAL HB . 18971 1
146 . 1 1 14 14 VAL HG11 H 1 0.564 0.000 . 0 . . . . 429 VAL QG1 . 18971 1
147 . 1 1 14 14 VAL HG12 H 1 0.564 0.000 . 0 . . . . 429 VAL QG1 . 18971 1
148 . 1 1 14 14 VAL HG13 H 1 0.564 0.000 . 0 . . . . 429 VAL QG1 . 18971 1
149 . 1 1 14 14 VAL HG21 H 1 0.783 0.000 . 0 . . . . 429 VAL QG2 . 18971 1
150 . 1 1 14 14 VAL HG22 H 1 0.783 0.000 . 0 . . . . 429 VAL QG2 . 18971 1
151 . 1 1 14 14 VAL HG23 H 1 0.783 0.000 . 0 . . . . 429 VAL QG2 . 18971 1
152 . 1 1 14 14 VAL C C 13 174.442 0.000 . 1 . . . . 429 VAL C . 18971 1
153 . 1 1 14 14 VAL CA C 13 59.597 0.000 . 1 . . . . 429 VAL CA . 18971 1
154 . 1 1 14 14 VAL CB C 13 34.468 0.000 . 1 . . . . 429 VAL CB . 18971 1
155 . 1 1 14 14 VAL CG1 C 13 22.424 0.000 . 2 . . . . 429 VAL CG1 . 18971 1
156 . 1 1 14 14 VAL CG2 C 13 19.523 0.000 . 2 . . . . 429 VAL CG2 . 18971 1
157 . 1 1 14 14 VAL N N 15 122.498 0.000 . 1 . . . . 429 VAL N . 18971 1
158 . 1 1 15 15 ARG H H 1 7.905 0.000 . 1 . . . . 430 ARG H . 18971 1
159 . 1 1 15 15 ARG HA H 1 4.377 0.000 . 1 . . . . 430 ARG HA . 18971 1
160 . 1 1 15 15 ARG HB2 H 1 1.476 0.000 . 2 . . . . 430 ARG HB2 . 18971 1
161 . 1 1 15 15 ARG HB3 H 1 0.575 0.000 . 2 . . . . 430 ARG HB3 . 18971 1
162 . 1 1 15 15 ARG HG2 H 1 1.568 0.000 . 2 . . . . 430 ARG HG2 . 18971 1
163 . 1 1 15 15 ARG HG3 H 1 1.175 0.000 . 2 . . . . 430 ARG HG3 . 18971 1
164 . 1 1 15 15 ARG HD2 H 1 3.264 0.000 . 2 . . . . 430 ARG HD2 . 18971 1
165 . 1 1 15 15 ARG HD3 H 1 2.764 0.000 . 2 . . . . 430 ARG HD3 . 18971 1
166 . 1 1 15 15 ARG HE H 1 7.140 0.000 . 1 . . . . 430 ARG HE . 18971 1
167 . 1 1 15 15 ARG C C 13 172.794 0.000 . 1 . . . . 430 ARG C . 18971 1
168 . 1 1 15 15 ARG CA C 13 54.059 0.000 . 1 . . . . 430 ARG CA . 18971 1
169 . 1 1 15 15 ARG CB C 13 34.812 0.002 . 1 . . . . 430 ARG CB . 18971 1
170 . 1 1 15 15 ARG CG C 13 28.049 0.001 . 1 . . . . 430 ARG CG . 18971 1
171 . 1 1 15 15 ARG CD C 13 43.629 0.002 . 1 . . . . 430 ARG CD . 18971 1
172 . 1 1 15 15 ARG CZ C 13 169.519 0.000 . 1 . . . . 430 ARG CZ . 18971 1
173 . 1 1 15 15 ARG N N 15 126.486 0.000 . 1 . . . . 430 ARG N . 18971 1
174 . 1 1 15 15 ARG NE N 15 84.435 0.000 . 1 . . . . 430 ARG NE . 18971 1
175 . 1 1 16 16 HIS H H 1 8.321 0.000 . 1 . . . . 431 HIS H . 18971 1
176 . 1 1 16 16 HIS HA H 1 5.059 0.000 . 1 . . . . 431 HIS HA . 18971 1
177 . 1 1 16 16 HIS HB2 H 1 2.931 0.000 . 2 . . . . 431 HIS HB2 . 18971 1
178 . 1 1 16 16 HIS HB3 H 1 2.854 0.000 . 2 . . . . 431 HIS HB3 . 18971 1
179 . 1 1 16 16 HIS HD2 H 1 6.801 0.000 . 1 . . . . 431 HIS HD2 . 18971 1
180 . 1 1 16 16 HIS C C 13 176.008 0.000 . 1 . . . . 431 HIS C . 18971 1
181 . 1 1 16 16 HIS CA C 13 56.778 0.000 . 1 . . . . 431 HIS CA . 18971 1
182 . 1 1 16 16 HIS CB C 13 31.564 0.002 . 1 . . . . 431 HIS CB . 18971 1
183 . 1 1 16 16 HIS N N 15 116.371 0.000 . 1 . . . . 431 HIS N . 18971 1
184 . 1 1 17 17 ALA H H 1 9.339 0.000 . 1 . . . . 432 ALA H . 18971 1
185 . 1 1 17 17 ALA HA H 1 4.702 0.000 . 1 . . . . 432 ALA HA . 18971 1
186 . 1 1 17 17 ALA HB1 H 1 1.932 0.000 . 0 . . . . 432 ALA HB . 18971 1
187 . 1 1 17 17 ALA HB2 H 1 1.932 0.000 . 0 . . . . 432 ALA HB . 18971 1
188 . 1 1 17 17 ALA HB3 H 1 1.932 0.000 . 0 . . . . 432 ALA HB . 18971 1
189 . 1 1 17 17 ALA C C 13 176.903 0.000 . 1 . . . . 432 ALA C . 18971 1
190 . 1 1 17 17 ALA CA C 13 51.445 0.000 . 1 . . . . 432 ALA CA . 18971 1
191 . 1 1 17 17 ALA CB C 13 17.425 0.000 . 1 . . . . 432 ALA CB . 18971 1
192 . 1 1 17 17 ALA N N 15 127.253 0.000 . 1 . . . . 432 ALA N . 18971 1
193 . 1 1 18 18 PRO HA H 1 4.415 0.000 . 1 . . . . 433 PRO HA . 18971 1
194 . 1 1 18 18 PRO HB2 H 1 2.478 0.000 . 2 . . . . 433 PRO HB2 . 18971 1
195 . 1 1 18 18 PRO HB3 H 1 1.962 0.000 . 2 . . . . 433 PRO HB3 . 18971 1
196 . 1 1 18 18 PRO HG2 H 1 2.198 0.000 . 2 . . . . 433 PRO HG2 . 18971 1
197 . 1 1 18 18 PRO HG3 H 1 2.086 0.000 . 2 . . . . 433 PRO HG3 . 18971 1
198 . 1 1 18 18 PRO HD2 H 1 3.873 0.000 . 2 . . . . 433 PRO QD . 18971 1
199 . 1 1 18 18 PRO HD3 H 1 3.873 0.000 . 2 . . . . 433 PRO QD . 18971 1
200 . 1 1 18 18 PRO C C 13 176.733 0.000 . 1 . . . . 433 PRO C . 18971 1
201 . 1 1 18 18 PRO CA C 13 65.908 0.000 . 1 . . . . 433 PRO CA . 18971 1
202 . 1 1 18 18 PRO CB C 13 32.003 0.004 . 1 . . . . 433 PRO CB . 18971 1
203 . 1 1 18 18 PRO CG C 13 28.032 0.008 . 1 . . . . 433 PRO CG . 18971 1
204 . 1 1 18 18 PRO CD C 13 51.149 0.000 . 1 . . . . 433 PRO CD . 18971 1
205 . 1 1 18 18 PRO N N 15 136.281 0.000 . 1 . . . . 433 PRO N . 18971 1
206 . 1 1 19 19 ASN H H 1 7.722 0.000 . 1 . . . . 434 ASN H . 18971 1
207 . 1 1 19 19 ASN HA H 1 4.629 0.000 . 1 . . . . 434 ASN HA . 18971 1
208 . 1 1 19 19 ASN HB2 H 1 2.871 0.000 . 2 . . . . 434 ASN HB2 . 18971 1
209 . 1 1 19 19 ASN HB3 H 1 3.274 0.000 . 2 . . . . 434 ASN HB3 . 18971 1
210 . 1 1 19 19 ASN HD21 H 1 6.007 0.000 . 2 . . . . 434 ASN HD21 . 18971 1
211 . 1 1 19 19 ASN HD22 H 1 7.455 0.000 . 2 . . . . 434 ASN HD22 . 18971 1
212 . 1 1 19 19 ASN C C 13 176.492 0.000 . 1 . . . . 434 ASN C . 18971 1
213 . 1 1 19 19 ASN CA C 13 52.620 0.000 . 1 . . . . 434 ASN CA . 18971 1
214 . 1 1 19 19 ASN CB C 13 37.156 0.005 . 1 . . . . 434 ASN CB . 18971 1
215 . 1 1 19 19 ASN CG C 13 176.691 0.000 . 1 . . . . 434 ASN CG . 18971 1
216 . 1 1 19 19 ASN N N 15 111.989 0.000 . 1 . . . . 434 ASN N . 18971 1
217 . 1 1 19 19 ASN ND2 N 15 107.845 0.055 . 1 . . . . 434 ASN ND2 . 18971 1
218 . 1 1 20 20 GLY H H 1 8.697 0.000 . 1 . . . . 435 GLY H . 18971 1
219 . 1 1 20 20 GLY HA2 H 1 3.725 0.000 . 2 . . . . 435 GLY HA2 . 18971 1
220 . 1 1 20 20 GLY HA3 H 1 4.390 0.000 . 2 . . . . 435 GLY HA3 . 18971 1
221 . 1 1 20 20 GLY C C 13 173.988 0.000 . 1 . . . . 435 GLY C . 18971 1
222 . 1 1 20 20 GLY CA C 13 45.113 0.004 . 1 . . . . 435 GLY CA . 18971 1
223 . 1 1 20 20 GLY N N 15 109.004 0.000 . 1 . . . . 435 GLY N . 18971 1
224 . 1 1 21 21 ARG H H 1 7.891 0.000 . 1 . . . . 436 ARG H . 18971 1
225 . 1 1 21 21 ARG HA H 1 4.729 0.000 . 1 . . . . 436 ARG HA . 18971 1
226 . 1 1 21 21 ARG HB2 H 1 1.979 0.000 . 2 . . . . 436 ARG QB . 18971 1
227 . 1 1 21 21 ARG HB3 H 1 1.979 0.000 . 2 . . . . 436 ARG QB . 18971 1
228 . 1 1 21 21 ARG HG2 H 1 1.648 0.000 . 2 . . . . 436 ARG HG2 . 18971 1
229 . 1 1 21 21 ARG HG3 H 1 1.864 0.000 . 2 . . . . 436 ARG HG3 . 18971 1
230 . 1 1 21 21 ARG HD2 H 1 1.962 0.000 . 2 . . . . 436 ARG HD2 . 18971 1
231 . 1 1 21 21 ARG HD3 H 1 2.636 0.000 . 2 . . . . 436 ARG HD3 . 18971 1
232 . 1 1 21 21 ARG HE H 1 6.922 0.000 . 1 . . . . 436 ARG HE . 18971 1
233 . 1 1 21 21 ARG C C 13 174.452 0.000 . 1 . . . . 436 ARG C . 18971 1
234 . 1 1 21 21 ARG CA C 13 54.396 0.000 . 1 . . . . 436 ARG CA . 18971 1
235 . 1 1 21 21 ARG CB C 13 31.506 0.000 . 1 . . . . 436 ARG CB . 18971 1
236 . 1 1 21 21 ARG CG C 13 26.277 0.003 . 1 . . . . 436 ARG CG . 18971 1
237 . 1 1 21 21 ARG CD C 13 43.543 0.001 . 1 . . . . 436 ARG CD . 18971 1
238 . 1 1 21 21 ARG CZ C 13 168.586 0.000 . 1 . . . . 436 ARG CZ . 18971 1
239 . 1 1 21 21 ARG N N 15 123.925 0.000 . 1 . . . . 436 ARG N . 18971 1
240 . 1 1 21 21 ARG NE N 15 84.736 0.000 . 1 . . . . 436 ARG NE . 18971 1
241 . 1 1 22 22 PRO HA H 1 4.864 0.000 . 1 . . . . 437 PRO HA . 18971 1
242 . 1 1 22 22 PRO HB2 H 1 1.546 0.000 . 2 . . . . 437 PRO HB2 . 18971 1
243 . 1 1 22 22 PRO HB3 H 1 1.731 0.000 . 2 . . . . 437 PRO HB3 . 18971 1
244 . 1 1 22 22 PRO HG2 H 1 2.317 0.000 . 2 . . . . 437 PRO HG2 . 18971 1
245 . 1 1 22 22 PRO HG3 H 1 2.099 0.000 . 2 . . . . 437 PRO HG3 . 18971 1
246 . 1 1 22 22 PRO HD2 H 1 4.133 0.000 . 2 . . . . 437 PRO HD2 . 18971 1
247 . 1 1 22 22 PRO HD3 H 1 3.874 0.000 . 2 . . . . 437 PRO HD3 . 18971 1
248 . 1 1 22 22 PRO C C 13 175.857 0.000 . 1 . . . . 437 PRO C . 18971 1
249 . 1 1 22 22 PRO CA C 13 62.590 0.000 . 1 . . . . 437 PRO CA . 18971 1
250 . 1 1 22 22 PRO CB C 13 31.898 0.002 . 1 . . . . 437 PRO CB . 18971 1
251 . 1 1 22 22 PRO CG C 13 27.552 0.005 . 1 . . . . 437 PRO CG . 18971 1
252 . 1 1 22 22 PRO CD C 13 51.023 0.005 . 1 . . . . 437 PRO CD . 18971 1
253 . 1 1 23 23 PHE H H 1 9.003 0.000 . 1 . . . . 438 PHE H . 18971 1
254 . 1 1 23 23 PHE HA H 1 5.063 0.000 . 1 . . . . 438 PHE HA . 18971 1
255 . 1 1 23 23 PHE HB2 H 1 2.441 0.000 . 2 . . . . 438 PHE HB2 . 18971 1
256 . 1 1 23 23 PHE HB3 H 1 3.214 0.000 . 2 . . . . 438 PHE HB3 . 18971 1
257 . 1 1 23 23 PHE HD1 H 1 6.934 0.000 . 3 . . . . 438 PHE QD . 18971 1
258 . 1 1 23 23 PHE HD2 H 1 6.934 0.000 . 3 . . . . 438 PHE QD . 18971 1
259 . 1 1 23 23 PHE HE1 H 1 6.821 0.000 . 3 . . . . 438 PHE QE . 18971 1
260 . 1 1 23 23 PHE HE2 H 1 6.821 0.000 . 3 . . . . 438 PHE QE . 18971 1
261 . 1 1 23 23 PHE C C 13 170.612 0.000 . 1 . . . . 438 PHE C . 18971 1
262 . 1 1 23 23 PHE CA C 13 55.351 0.000 . 1 . . . . 438 PHE CA . 18971 1
263 . 1 1 23 23 PHE CB C 13 41.873 0.002 . 1 . . . . 438 PHE CB . 18971 1
264 . 1 1 23 23 PHE N N 15 117.740 0.000 . 1 . . . . 438 PHE N . 18971 1
265 . 1 1 24 24 PHE H H 1 9.171 0.000 . 1 . . . . 439 PHE H . 18971 1
266 . 1 1 24 24 PHE HA H 1 5.102 0.000 . 1 . . . . 439 PHE HA . 18971 1
267 . 1 1 24 24 PHE HB2 H 1 3.312 0.000 . 2 . . . . 439 PHE QB . 18971 1
268 . 1 1 24 24 PHE HB3 H 1 3.312 0.000 . 2 . . . . 439 PHE QB . 18971 1
269 . 1 1 24 24 PHE HD1 H 1 7.075 0.000 . 3 . . . . 439 PHE QD . 18971 1
270 . 1 1 24 24 PHE HD2 H 1 7.075 0.000 . 3 . . . . 439 PHE QD . 18971 1
271 . 1 1 24 24 PHE HE1 H 1 7.233 0.000 . 3 . . . . 439 PHE QE . 18971 1
272 . 1 1 24 24 PHE HE2 H 1 7.233 0.000 . 3 . . . . 439 PHE QE . 18971 1
273 . 1 1 24 24 PHE C C 13 174.547 0.000 . 1 . . . . 439 PHE C . 18971 1
274 . 1 1 24 24 PHE CA C 13 57.489 0.000 . 1 . . . . 439 PHE CA . 18971 1
275 . 1 1 24 24 PHE CB C 13 41.407 0.000 . 1 . . . . 439 PHE CB . 18971 1
276 . 1 1 24 24 PHE N N 15 117.313 0.000 . 1 . . . . 439 PHE N . 18971 1
277 . 1 1 25 25 ILE H H 1 9.406 0.000 . 1 . . . . 440 ILE H . 18971 1
278 . 1 1 25 25 ILE HA H 1 4.133 0.000 . 1 . . . . 440 ILE HA . 18971 1
279 . 1 1 25 25 ILE HB H 1 1.473 0.000 . 1 . . . . 440 ILE HB . 18971 1
280 . 1 1 25 25 ILE HG12 H 1 1.259 0.000 . 2 . . . . 440 ILE HG12 . 18971 1
281 . 1 1 25 25 ILE HG13 H 1 0.774 0.000 . 2 . . . . 440 ILE HG13 . 18971 1
282 . 1 1 25 25 ILE HG21 H 1 0.232 0.000 . 0 . . . . 440 ILE QG2 . 18971 1
283 . 1 1 25 25 ILE HG22 H 1 0.232 0.000 . 0 . . . . 440 ILE QG2 . 18971 1
284 . 1 1 25 25 ILE HG23 H 1 0.232 0.000 . 0 . . . . 440 ILE QG2 . 18971 1
285 . 1 1 25 25 ILE HD11 H 1 0.425 0.000 . 0 . . . . 440 ILE QD1 . 18971 1
286 . 1 1 25 25 ILE HD12 H 1 0.425 0.000 . 0 . . . . 440 ILE QD1 . 18971 1
287 . 1 1 25 25 ILE HD13 H 1 0.425 0.000 . 0 . . . . 440 ILE QD1 . 18971 1
288 . 1 1 25 25 ILE C C 13 172.962 0.000 . 1 . . . . 440 ILE C . 18971 1
289 . 1 1 25 25 ILE CA C 13 60.530 0.000 . 1 . . . . 440 ILE CA . 18971 1
290 . 1 1 25 25 ILE CB C 13 40.991 0.000 . 1 . . . . 440 ILE CB . 18971 1
291 . 1 1 25 25 ILE CG1 C 13 27.910 0.003 . 1 . . . . 440 ILE CG1 . 18971 1
292 . 1 1 25 25 ILE CG2 C 13 17.722 0.000 . 1 . . . . 440 ILE CG2 . 18971 1
293 . 1 1 25 25 ILE CD1 C 13 15.576 0.000 . 1 . . . . 440 ILE CD1 . 18971 1
294 . 1 1 25 25 ILE N N 15 123.973 0.000 . 1 . . . . 440 ILE N . 18971 1
295 . 1 1 26 26 ASP H H 1 8.262 0.000 . 1 . . . . 441 ASP H . 18971 1
296 . 1 1 26 26 ASP HA H 1 3.671 0.000 . 1 . . . . 441 ASP HA . 18971 1
297 . 1 1 26 26 ASP HB2 H 1 2.018 0.000 . 2 . . . . 441 ASP QB . 18971 1
298 . 1 1 26 26 ASP HB3 H 1 2.018 0.000 . 2 . . . . 441 ASP QB . 18971 1
299 . 1 1 26 26 ASP C C 13 177.894 0.000 . 1 . . . . 441 ASP C . 18971 1
300 . 1 1 26 26 ASP CA C 13 51.162 0.000 . 1 . . . . 441 ASP CA . 18971 1
301 . 1 1 26 26 ASP CB C 13 39.267 0.000 . 1 . . . . 441 ASP CB . 18971 1
302 . 1 1 26 26 ASP N N 15 124.266 0.000 . 1 . . . . 441 ASP N . 18971 1
303 . 1 1 27 27 HIS H H 1 8.844 0.000 . 1 . . . . 442 HIS H . 18971 1
304 . 1 1 27 27 HIS HA H 1 4.265 0.000 . 1 . . . . 442 HIS HA . 18971 1
305 . 1 1 27 27 HIS HB2 H 1 3.111 0.000 . 2 . . . . 442 HIS HB2 . 18971 1
306 . 1 1 27 27 HIS HB3 H 1 3.379 0.000 . 2 . . . . 442 HIS HB3 . 18971 1
307 . 1 1 27 27 HIS HD2 H 1 6.894 0.000 . 1 . . . . 442 HIS HD2 . 18971 1
308 . 1 1 27 27 HIS C C 13 176.986 0.000 . 1 . . . . 442 HIS C . 18971 1
309 . 1 1 27 27 HIS CA C 13 59.127 0.000 . 1 . . . . 442 HIS CA . 18971 1
310 . 1 1 27 27 HIS CB C 13 30.241 0.000 . 1 . . . . 442 HIS CB . 18971 1
311 . 1 1 27 27 HIS N N 15 122.702 0.000 . 1 . . . . 442 HIS N . 18971 1
312 . 1 1 28 28 ASN H H 1 8.421 0.000 . 1 . . . . 443 ASN H . 18971 1
313 . 1 1 28 28 ASN HA H 1 4.395 0.000 . 1 . . . . 443 ASN HA . 18971 1
314 . 1 1 28 28 ASN HB2 H 1 2.693 0.000 . 2 . . . . 443 ASN HB2 . 18971 1
315 . 1 1 28 28 ASN HB3 H 1 3.338 0.000 . 2 . . . . 443 ASN HB3 . 18971 1
316 . 1 1 28 28 ASN HD21 H 1 7.784 0.000 . 2 . . . . 443 ASN HD21 . 18971 1
317 . 1 1 28 28 ASN HD22 H 1 7.979 0.000 . 2 . . . . 443 ASN HD22 . 18971 1
318 . 1 1 28 28 ASN C C 13 176.945 0.000 . 1 . . . . 443 ASN C . 18971 1
319 . 1 1 28 28 ASN CA C 13 56.109 0.000 . 1 . . . . 443 ASN CA . 18971 1
320 . 1 1 28 28 ASN CB C 13 38.565 0.003 . 1 . . . . 443 ASN CB . 18971 1
321 . 1 1 28 28 ASN CG C 13 176.934 0.000 . 1 . . . . 443 ASN CG . 18971 1
322 . 1 1 28 28 ASN N N 15 115.378 0.000 . 1 . . . . 443 ASN N . 18971 1
323 . 1 1 28 28 ASN ND2 N 15 118.120 0.000 . 1 . . . . 443 ASN ND2 . 18971 1
324 . 1 1 29 29 THR H H 1 6.521 0.000 . 1 . . . . 444 THR H . 18971 1
325 . 1 1 29 29 THR HA H 1 4.202 0.000 . 1 . . . . 444 THR HA . 18971 1
326 . 1 1 29 29 THR HB H 1 4.226 0.000 . 1 . . . . 444 THR HB . 18971 1
327 . 1 1 29 29 THR HG21 H 1 1.132 0.000 . 0 . . . . 444 THR QG2 . 18971 1
328 . 1 1 29 29 THR HG22 H 1 1.132 0.000 . 0 . . . . 444 THR QG2 . 18971 1
329 . 1 1 29 29 THR HG23 H 1 1.132 0.000 . 0 . . . . 444 THR QG2 . 18971 1
330 . 1 1 29 29 THR C C 13 174.057 0.000 . 1 . . . . 444 THR C . 18971 1
331 . 1 1 29 29 THR CA C 13 60.938 0.000 . 1 . . . . 444 THR CA . 18971 1
332 . 1 1 29 29 THR CB C 13 70.314 0.000 . 1 . . . . 444 THR CB . 18971 1
333 . 1 1 29 29 THR CG2 C 13 21.204 0.000 . 1 . . . . 444 THR CG2 . 18971 1
334 . 1 1 29 29 THR N N 15 103.863 0.000 . 1 . . . . 444 THR N . 18971 1
335 . 1 1 30 30 LYS H H 1 7.597 0.000 . 1 . . . . 445 LYS H . 18971 1
336 . 1 1 30 30 LYS HA H 1 2.195 0.000 . 1 . . . . 445 LYS HA . 18971 1
337 . 1 1 30 30 LYS HB2 H 1 1.881 0.000 . 2 . . . . 445 LYS QB . 18971 1
338 . 1 1 30 30 LYS HB3 H 1 1.881 0.000 . 2 . . . . 445 LYS QB . 18971 1
339 . 1 1 30 30 LYS HG2 H 1 1.007 0.000 . 2 . . . . 445 LYS HG2 . 18971 1
340 . 1 1 30 30 LYS HG3 H 1 0.798 0.000 . 2 . . . . 445 LYS HG3 . 18971 1
341 . 1 1 30 30 LYS HD2 H 1 1.496 0.000 . 2 . . . . 445 LYS QD . 18971 1
342 . 1 1 30 30 LYS HD3 H 1 1.496 0.000 . 2 . . . . 445 LYS QD . 18971 1
343 . 1 1 30 30 LYS HE2 H 1 2.991 0.000 . 2 . . . . 445 LYS QE . 18971 1
344 . 1 1 30 30 LYS HE3 H 1 2.991 0.000 . 2 . . . . 445 LYS QE . 18971 1
345 . 1 1 30 30 LYS C C 13 174.698 0.000 . 1 . . . . 445 LYS C . 18971 1
346 . 1 1 30 30 LYS CA C 13 56.822 0.000 . 1 . . . . 445 LYS CA . 18971 1
347 . 1 1 30 30 LYS CB C 13 28.246 0.000 . 1 . . . . 445 LYS CB . 18971 1
348 . 1 1 30 30 LYS CG C 13 24.891 0.007 . 1 . . . . 445 LYS CG . 18971 1
349 . 1 1 30 30 LYS CD C 13 29.508 0.000 . 1 . . . . 445 LYS CD . 18971 1
350 . 1 1 30 30 LYS CE C 13 43.117 0.000 . 1 . . . . 445 LYS CE . 18971 1
351 . 1 1 30 30 LYS N N 15 119.253 0.000 . 1 . . . . 445 LYS N . 18971 1
352 . 1 1 31 31 THR H H 1 7.237 0.000 . 1 . . . . 446 THR H . 18971 1
353 . 1 1 31 31 THR HA H 1 4.776 0.000 . 1 . . . . 446 THR HA . 18971 1
354 . 1 1 31 31 THR HB H 1 4.042 0.000 . 1 . . . . 446 THR HB . 18971 1
355 . 1 1 31 31 THR HG21 H 1 1.076 0.000 . 0 . . . . 446 THR QG2 . 18971 1
356 . 1 1 31 31 THR HG22 H 1 1.076 0.000 . 0 . . . . 446 THR QG2 . 18971 1
357 . 1 1 31 31 THR HG23 H 1 1.076 0.000 . 0 . . . . 446 THR QG2 . 18971 1
358 . 1 1 31 31 THR C C 13 173.099 0.000 . 1 . . . . 446 THR C . 18971 1
359 . 1 1 31 31 THR CA C 13 59.906 0.000 . 1 . . . . 446 THR CA . 18971 1
360 . 1 1 31 31 THR CB C 13 73.094 0.000 . 1 . . . . 446 THR CB . 18971 1
361 . 1 1 31 31 THR CG2 C 13 21.407 0.000 . 1 . . . . 446 THR CG2 . 18971 1
362 . 1 1 31 31 THR N N 15 107.816 0.000 . 1 . . . . 446 THR N . 18971 1
363 . 1 1 32 32 THR H H 1 7.935 0.000 . 1 . . . . 447 THR H . 18971 1
364 . 1 1 32 32 THR HA H 1 5.542 0.000 . 1 . . . . 447 THR HA . 18971 1
365 . 1 1 32 32 THR HB H 1 4.104 0.000 . 1 . . . . 447 THR HB . 18971 1
366 . 1 1 32 32 THR HG21 H 1 1.262 0.000 . 0 . . . . 447 THR QG2 . 18971 1
367 . 1 1 32 32 THR HG22 H 1 1.262 0.000 . 0 . . . . 447 THR QG2 . 18971 1
368 . 1 1 32 32 THR HG23 H 1 1.262 0.000 . 0 . . . . 447 THR QG2 . 18971 1
369 . 1 1 32 32 THR C C 13 173.882 0.000 . 1 . . . . 447 THR C . 18971 1
370 . 1 1 32 32 THR CA C 13 58.842 0.000 . 1 . . . . 447 THR CA . 18971 1
371 . 1 1 32 32 THR CB C 13 72.431 0.000 . 1 . . . . 447 THR CB . 18971 1
372 . 1 1 32 32 THR CG2 C 13 23.254 0.000 . 1 . . . . 447 THR CG2 . 18971 1
373 . 1 1 32 32 THR N N 15 109.344 0.000 . 1 . . . . 447 THR N . 18971 1
374 . 1 1 33 33 THR H H 1 9.261 0.000 . 1 . . . . 448 THR H . 18971 1
375 . 1 1 33 33 THR HA H 1 4.776 0.000 . 1 . . . . 448 THR HA . 18971 1
376 . 1 1 33 33 THR HB H 1 4.481 0.000 . 1 . . . . 448 THR HB . 18971 1
377 . 1 1 33 33 THR HG21 H 1 1.722 0.000 . 0 . . . . 448 THR QG2 . 18971 1
378 . 1 1 33 33 THR HG22 H 1 1.722 0.000 . 0 . . . . 448 THR QG2 . 18971 1
379 . 1 1 33 33 THR HG23 H 1 1.722 0.000 . 0 . . . . 448 THR QG2 . 18971 1
380 . 1 1 33 33 THR C C 13 172.654 0.000 . 1 . . . . 448 THR C . 18971 1
381 . 1 1 33 33 THR CA C 13 59.614 0.000 . 1 . . . . 448 THR CA . 18971 1
382 . 1 1 33 33 THR CB C 13 69.337 0.000 . 1 . . . . 448 THR CB . 18971 1
383 . 1 1 33 33 THR CG2 C 13 20.371 0.000 . 1 . . . . 448 THR CG2 . 18971 1
384 . 1 1 33 33 THR N N 15 114.336 0.000 . 1 . . . . 448 THR N . 18971 1
385 . 1 1 34 34 TRP H H 1 9.052 0.000 . 1 . . . . 449 TRP H . 18971 1
386 . 1 1 34 34 TRP HA H 1 5.429 0.000 . 1 . . . . 449 TRP HA . 18971 1
387 . 1 1 34 34 TRP HB2 H 1 3.772 0.000 . 2 . . . . 449 TRP HB2 . 18971 1
388 . 1 1 34 34 TRP HB3 H 1 3.239 0.000 . 2 . . . . 449 TRP HB3 . 18971 1
389 . 1 1 34 34 TRP HD1 H 1 7.056 0.000 . 1 . . . . 449 TRP HD1 . 18971 1
390 . 1 1 34 34 TRP HE1 H 1 10.492 0.000 . 1 . . . . 449 TRP HE1 . 18971 1
391 . 1 1 34 34 TRP HZ2 H 1 7.386 0.000 . 1 . . . . 449 TRP HZ2 . 18971 1
392 . 1 1 34 34 TRP C C 13 177.470 0.000 . 1 . . . . 449 TRP C . 18971 1
393 . 1 1 34 34 TRP CA C 13 58.139 0.000 . 1 . . . . 449 TRP CA . 18971 1
394 . 1 1 34 34 TRP CB C 13 31.801 0.006 . 1 . . . . 449 TRP CB . 18971 1
395 . 1 1 34 34 TRP N N 15 125.993 0.000 . 1 . . . . 449 TRP N . 18971 1
396 . 1 1 34 34 TRP NE1 N 15 129.242 0.000 . 1 . . . . 449 TRP NE1 . 18971 1
397 . 1 1 35 35 GLU H H 1 8.800 0.000 . 1 . . . . 450 GLU H . 18971 1
398 . 1 1 35 35 GLU HA H 1 4.273 0.000 . 1 . . . . 450 GLU HA . 18971 1
399 . 1 1 35 35 GLU HB2 H 1 1.956 0.000 . 2 . . . . 450 GLU HB2 . 18971 1
400 . 1 1 35 35 GLU HB3 H 1 1.997 0.000 . 2 . . . . 450 GLU HB3 . 18971 1
401 . 1 1 35 35 GLU HG2 H 1 2.323 0.000 . 2 . . . . 450 GLU HG2 . 18971 1
402 . 1 1 35 35 GLU HG3 H 1 2.211 0.000 . 2 . . . . 450 GLU HG3 . 18971 1
403 . 1 1 35 35 GLU C C 13 174.266 0.000 . 1 . . . . 450 GLU C . 18971 1
404 . 1 1 35 35 GLU CA C 13 56.389 0.000 . 1 . . . . 450 GLU CA . 18971 1
405 . 1 1 35 35 GLU CB C 13 30.304 0.002 . 1 . . . . 450 GLU CB . 18971 1
406 . 1 1 35 35 GLU CG C 13 36.320 0.013 . 1 . . . . 450 GLU CG . 18971 1
407 . 1 1 35 35 GLU N N 15 120.423 0.000 . 1 . . . . 450 GLU N . 18971 1
408 . 1 1 36 36 ASP H H 1 8.134 0.000 . 1 . . . . 451 ASP H . 18971 1
409 . 1 1 36 36 ASP HA H 1 2.471 0.000 . 1 . . . . 451 ASP HA . 18971 1
410 . 1 1 36 36 ASP HB2 H 1 2.211 0.000 . 2 . . . . 451 ASP HB2 . 18971 1
411 . 1 1 36 36 ASP HB3 H 1 2.594 0.000 . 2 . . . . 451 ASP HB3 . 18971 1
412 . 1 1 36 36 ASP C C 13 176.148 0.000 . 1 . . . . 451 ASP C . 18971 1
413 . 1 1 36 36 ASP CA C 13 50.420 0.000 . 1 . . . . 451 ASP CA . 18971 1
414 . 1 1 36 36 ASP CB C 13 41.882 0.006 . 1 . . . . 451 ASP CB . 18971 1
415 . 1 1 36 36 ASP N N 15 126.770 0.000 . 1 . . . . 451 ASP N . 18971 1
416 . 1 1 37 37 PRO HA H 1 3.992 0.000 . 1 . . . . 452 PRO HA . 18971 1
417 . 1 1 37 37 PRO HB2 H 1 0.995 0.000 . 2 . . . . 452 PRO QB . 18971 1
418 . 1 1 37 37 PRO HB3 H 1 0.995 0.000 . 2 . . . . 452 PRO QB . 18971 1
419 . 1 1 37 37 PRO HG2 H 1 0.645 0.000 . 2 . . . . 452 PRO HG2 . 18971 1
420 . 1 1 37 37 PRO HG3 H 1 0.214 0.000 . 2 . . . . 452 PRO HG3 . 18971 1
421 . 1 1 37 37 PRO HD2 H 1 2.958 0.000 . 2 . . . . 452 PRO HD2 . 18971 1
422 . 1 1 37 37 PRO HD3 H 1 2.866 0.000 . 2 . . . . 452 PRO HD3 . 18971 1
423 . 1 1 37 37 PRO C C 13 178.090 0.000 . 1 . . . . 452 PRO C . 18971 1
424 . 1 1 37 37 PRO CA C 13 63.443 0.000 . 1 . . . . 452 PRO CA . 18971 1
425 . 1 1 37 37 PRO CB C 13 31.221 0.000 . 1 . . . . 452 PRO CB . 18971 1
426 . 1 1 37 37 PRO CG C 13 26.027 0.006 . 1 . . . . 452 PRO CG . 18971 1
427 . 1 1 37 37 PRO CD C 13 50.395 0.002 . 1 . . . . 452 PRO CD . 18971 1
428 . 1 1 37 37 PRO N N 15 140.302 0.000 . 1 . . . . 452 PRO N . 18971 1
429 . 1 1 38 38 ARG H H 1 8.359 0.000 . 1 . . . . 453 ARG H . 18971 1
430 . 1 1 38 38 ARG HA H 1 3.865 0.000 . 1 . . . . 453 ARG HA . 18971 1
431 . 1 1 38 38 ARG HB2 H 1 1.852 0.000 . 2 . . . . 453 ARG HB2 . 18971 1
432 . 1 1 38 38 ARG HB3 H 1 1.597 0.000 . 2 . . . . 453 ARG HB3 . 18971 1
433 . 1 1 38 38 ARG HG2 H 1 1.759 0.000 . 2 . . . . 453 ARG HG2 . 18971 1
434 . 1 1 38 38 ARG HG3 H 1 1.230 0.000 . 2 . . . . 453 ARG HG3 . 18971 1
435 . 1 1 38 38 ARG HD2 H 1 2.978 0.000 . 2 . . . . 453 ARG HD2 . 18971 1
436 . 1 1 38 38 ARG HD3 H 1 3.000 0.000 . 2 . . . . 453 ARG HD3 . 18971 1
437 . 1 1 38 38 ARG HE H 1 8.838 0.000 . 1 . . . . 453 ARG HE . 18971 1
438 . 1 1 38 38 ARG C C 13 176.971 0.000 . 1 . . . . 453 ARG C . 18971 1
439 . 1 1 38 38 ARG CA C 13 57.280 0.000 . 1 . . . . 453 ARG CA . 18971 1
440 . 1 1 38 38 ARG CB C 13 29.879 0.000 . 1 . . . . 453 ARG CB . 18971 1
441 . 1 1 38 38 ARG CG C 13 26.831 0.032 . 1 . . . . 453 ARG CG . 18971 1
442 . 1 1 38 38 ARG CD C 13 42.659 0.001 . 1 . . . . 453 ARG CD . 18971 1
443 . 1 1 38 38 ARG CZ C 13 170.367 0.000 . 1 . . . . 453 ARG CZ . 18971 1
444 . 1 1 38 38 ARG N N 15 118.924 0.000 . 1 . . . . 453 ARG N . 18971 1
445 . 1 1 38 38 ARG NE N 15 85.113 0.000 . 1 . . . . 453 ARG NE . 18971 1
446 . 1 1 39 39 LEU H H 1 7.222 0.000 . 1 . . . . 454 LEU H . 18971 1
447 . 1 1 39 39 LEU HA H 1 4.225 0.000 . 1 . . . . 454 LEU HA . 18971 1
448 . 1 1 39 39 LEU HB2 H 1 1.582 0.000 . 2 . . . . 454 LEU HB2 . 18971 1
449 . 1 1 39 39 LEU HB3 H 1 1.650 0.000 . 2 . . . . 454 LEU HB3 . 18971 1
450 . 1 1 39 39 LEU HG H 1 0.944 0.000 . 1 . . . . 454 LEU HG . 18971 1
451 . 1 1 39 39 LEU HD11 H 1 0.797 0.000 . 0 . . . . 454 LEU QQD . 18971 1
452 . 1 1 39 39 LEU HD12 H 1 0.797 0.000 . 0 . . . . 454 LEU QQD . 18971 1
453 . 1 1 39 39 LEU HD13 H 1 0.797 0.000 . 0 . . . . 454 LEU QQD . 18971 1
454 . 1 1 39 39 LEU HD21 H 1 0.797 0.000 . 0 . . . . 454 LEU QQD . 18971 1
455 . 1 1 39 39 LEU HD22 H 1 0.797 0.000 . 0 . . . . 454 LEU QQD . 18971 1
456 . 1 1 39 39 LEU HD23 H 1 0.797 0.000 . 0 . . . . 454 LEU QQD . 18971 1
457 . 1 1 39 39 LEU C C 13 176.948 0.000 . 1 . . . . 454 LEU C . 18971 1
458 . 1 1 39 39 LEU CA C 13 54.829 0.000 . 1 . . . . 454 LEU CA . 18971 1
459 . 1 1 39 39 LEU CB C 13 41.900 0.001 . 1 . . . . 454 LEU CB . 18971 1
460 . 1 1 39 39 LEU CG C 13 25.235 0.000 . 1 . . . . 454 LEU CG . 18971 1
461 . 1 1 39 39 LEU CD1 C 13 22.670 0.000 . 2 . . . . 454 LEU CD1 . 18971 1
462 . 1 1 39 39 LEU CD2 C 13 22.670 0.000 . 2 . . . . 454 LEU CD2 . 18971 1
463 . 1 1 39 39 LEU N N 15 117.532 0.000 . 1 . . . . 454 LEU N . 18971 1
464 . 1 1 40 40 LYS H H 1 7.405 0.000 . 1 . . . . 455 LYS H . 18971 1
465 . 1 1 40 40 LYS HA H 1 4.251 0.000 . 1 . . . . 455 LYS HA . 18971 1
466 . 1 1 40 40 LYS HB2 H 1 1.766 0.000 . 2 . . . . 455 LYS HB2 . 18971 1
467 . 1 1 40 40 LYS HB3 H 1 1.642 0.000 . 2 . . . . 455 LYS HB3 . 18971 1
468 . 1 1 40 40 LYS HG2 H 1 1.356 0.000 . 2 . . . . 455 LYS HG2 . 18971 1
469 . 1 1 40 40 LYS HG3 H 1 1.298 0.000 . 2 . . . . 455 LYS HG3 . 18971 1
470 . 1 1 40 40 LYS HD2 H 1 1.625 0.000 . 2 . . . . 455 LYS QD . 18971 1
471 . 1 1 40 40 LYS HD3 H 1 1.625 0.000 . 2 . . . . 455 LYS QD . 18971 1
472 . 1 1 40 40 LYS HE2 H 1 2.955 0.000 . 2 . . . . 455 LYS QE . 18971 1
473 . 1 1 40 40 LYS HE3 H 1 2.955 0.000 . 2 . . . . 455 LYS QE . 18971 1
474 . 1 1 40 40 LYS C C 13 175.939 0.000 . 1 . . . . 455 LYS C . 18971 1
475 . 1 1 40 40 LYS CA C 13 55.864 0.000 . 1 . . . . 455 LYS CA . 18971 1
476 . 1 1 40 40 LYS CB C 13 32.975 0.005 . 1 . . . . 455 LYS CB . 18971 1
477 . 1 1 40 40 LYS CG C 13 24.662 0.002 . 1 . . . . 455 LYS CG . 18971 1
478 . 1 1 40 40 LYS CD C 13 29.002 0.000 . 1 . . . . 455 LYS CD . 18971 1
479 . 1 1 40 40 LYS CE C 13 42.132 0.000 . 1 . . . . 455 LYS CE . 18971 1
480 . 1 1 40 40 LYS N N 15 120.052 0.000 . 1 . . . . 455 LYS N . 18971 1
481 . 1 1 41 41 ILE H H 1 7.991 0.000 . 1 . . . . 456 ILE H . 18971 1
482 . 1 1 41 41 ILE HA H 1 4.400 0.000 . 1 . . . . 456 ILE HA . 18971 1
483 . 1 1 41 41 ILE HB H 1 1.834 0.000 . 1 . . . . 456 ILE HB . 18971 1
484 . 1 1 41 41 ILE HG12 H 1 1.494 0.000 . 2 . . . . 456 ILE HG12 . 18971 1
485 . 1 1 41 41 ILE HG13 H 1 1.144 0.000 . 2 . . . . 456 ILE HG13 . 18971 1
486 . 1 1 41 41 ILE HG21 H 1 0.944 0.000 . 0 . . . . 456 ILE QG2 . 18971 1
487 . 1 1 41 41 ILE HG22 H 1 0.944 0.000 . 0 . . . . 456 ILE QG2 . 18971 1
488 . 1 1 41 41 ILE HG23 H 1 0.944 0.000 . 0 . . . . 456 ILE QG2 . 18971 1
489 . 1 1 41 41 ILE HD11 H 1 0.838 0.000 . 0 . . . . 456 ILE QD1 . 18971 1
490 . 1 1 41 41 ILE HD12 H 1 0.838 0.000 . 0 . . . . 456 ILE QD1 . 18971 1
491 . 1 1 41 41 ILE HD13 H 1 0.838 0.000 . 0 . . . . 456 ILE QD1 . 18971 1
492 . 1 1 41 41 ILE C C 13 174.535 0.000 . 1 . . . . 456 ILE C . 18971 1
493 . 1 1 41 41 ILE CA C 13 58.726 0.000 . 1 . . . . 456 ILE CA . 18971 1
494 . 1 1 41 41 ILE CB C 13 38.616 0.000 . 1 . . . . 456 ILE CB . 18971 1
495 . 1 1 41 41 ILE CG1 C 13 27.039 0.001 . 1 . . . . 456 ILE CG1 . 18971 1
496 . 1 1 41 41 ILE CG2 C 13 17.071 0.000 . 1 . . . . 456 ILE CG2 . 18971 1
497 . 1 1 41 41 ILE CD1 C 13 12.783 0.000 . 1 . . . . 456 ILE CD1 . 18971 1
498 . 1 1 41 41 ILE N N 15 124.275 0.000 . 1 . . . . 456 ILE N . 18971 1
499 . 1 1 42 42 PRO HA H 1 4.362 0.000 . 1 . . . . 457 PRO HA . 18971 1
500 . 1 1 42 42 PRO HB2 H 1 1.957 0.000 . 2 . . . . 457 PRO HB2 . 18971 1
501 . 1 1 42 42 PRO HB3 H 1 2.280 0.000 . 2 . . . . 457 PRO HB3 . 18971 1
502 . 1 1 42 42 PRO HG2 H 1 2.069 0.000 . 2 . . . . 457 PRO HG2 . 18971 1
503 . 1 1 42 42 PRO HG3 H 1 1.961 0.000 . 2 . . . . 457 PRO HG3 . 18971 1
504 . 1 1 42 42 PRO HD2 H 1 3.895 0.000 . 2 . . . . 457 PRO HD2 . 18971 1
505 . 1 1 42 42 PRO HD3 H 1 3.661 0.000 . 2 . . . . 457 PRO HD3 . 18971 1
506 . 1 1 42 42 PRO C C 13 175.662 0.000 . 1 . . . . 457 PRO C . 18971 1
507 . 1 1 42 42 PRO CA C 13 63.468 0.000 . 1 . . . . 457 PRO CA . 18971 1
508 . 1 1 42 42 PRO CB C 13 32.012 0.001 . 1 . . . . 457 PRO CB . 18971 1
509 . 1 1 42 42 PRO CG C 13 27.409 0.006 . 1 . . . . 457 PRO CG . 18971 1
510 . 1 1 42 42 PRO CD C 13 51.148 0.004 . 1 . . . . 457 PRO CD . 18971 1
511 . 1 1 42 42 PRO N N 15 140.576 0.000 . 1 . . . . 457 PRO N . 18971 1
512 . 1 1 43 43 ALA H H 1 7.968 0.000 . 1 . . . . 458 ALA H . 18971 1
513 . 1 1 43 43 ALA HA H 1 4.113 0.000 . 1 . . . . 458 ALA HA . 18971 1
514 . 1 1 43 43 ALA HB1 H 1 1.342 0.000 . 0 . . . . 458 ALA HB . 18971 1
515 . 1 1 43 43 ALA HB2 H 1 1.342 0.000 . 0 . . . . 458 ALA HB . 18971 1
516 . 1 1 43 43 ALA HB3 H 1 1.342 0.000 . 0 . . . . 458 ALA HB . 18971 1
517 . 1 1 43 43 ALA C C 13 182.700 0.000 . 1 . . . . 458 ALA C . 18971 1
518 . 1 1 43 43 ALA CA C 13 53.802 0.000 . 1 . . . . 458 ALA CA . 18971 1
519 . 1 1 43 43 ALA CB C 13 20.277 0.000 . 1 . . . . 458 ALA CB . 18971 1
520 . 1 1 43 43 ALA N N 15 130.400 0.000 . 1 . . . . 458 ALA N . 18971 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 18971
_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 .
_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
12 '2D CBCA(CO)NH' . . . 18971 2
13 '2D C(CO)NH' . . . 18971 2
14 '2D HNCO' . . . 18971 2
15 '2D HNCACB' . . . 18971 2
16 '3D HCCH-TOCSY' . . . 18971 2
18 '3D 1H-15N TOCSY' . . . 18971 2
35 '2D HCAN' . . . 18971 2
38 '2D HBCBCACONHAN' . . . 18971 2
39 '2D HBCBCACONHACA' . . . 18971 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 2 1 1 THR HA H 1 3.766 0.006 . 1 . . . . 638 THR HA . 18971 2
2 . 2 2 1 1 THR HB H 1 4.126 0.000 . 1 . . . . 638 THR HB . 18971 2
3 . 2 2 1 1 THR HG21 H 1 1.275 0.000 . 0 . . . . 638 THR QG2 . 18971 2
4 . 2 2 1 1 THR HG22 H 1 1.275 0.000 . 0 . . . . 638 THR QG2 . 18971 2
5 . 2 2 1 1 THR HG23 H 1 1.275 0.000 . 0 . . . . 638 THR QG2 . 18971 2
6 . 2 2 1 1 THR CA C 13 61.804 0.002 . 1 . . . . 638 THR CA . 18971 2
7 . 2 2 1 1 THR CB C 13 69.843 0.053 . 1 . . . . 638 THR CB . 18971 2
8 . 2 2 1 1 THR CG2 C 13 21.325 0.000 . 1 . . . . 638 THR CG2 . 18971 2
9 . 2 2 2 2 ALA HA H 1 4.762 0.000 . 1 . . . . 639 ALA HA . 18971 2
10 . 2 2 2 2 ALA HB1 H 1 1.536 0.002 . 0 . . . . 639 ALA HB . 18971 2
11 . 2 2 2 2 ALA HB2 H 1 1.536 0.002 . 0 . . . . 639 ALA HB . 18971 2
12 . 2 2 2 2 ALA HB3 H 1 1.536 0.002 . 0 . . . . 639 ALA HB . 18971 2
13 . 2 2 2 2 ALA CA C 13 51.289 0.000 . 1 . . . . 639 ALA CA . 18971 2
14 . 2 2 2 2 ALA CB C 13 18.001 0.000 . 1 . . . . 639 ALA CB . 18971 2
15 . 2 2 2 2 ALA N N 15 130.507 0.011 . 1 . . . . 639 ALA N . 18971 2
16 . 2 2 3 3 PRO HA H 1 4.973 0.005 . 1 . . . . 640 PRO HA . 18971 2
17 . 2 2 3 3 PRO HB2 H 1 2.013 0.000 . 2 . . . . 640 PRO HB2 . 18971 2
18 . 2 2 3 3 PRO HB3 H 1 2.385 0.000 . 2 . . . . 640 PRO HB3 . 18971 2
19 . 2 2 3 3 PRO HG2 H 1 2.104 0.000 . 2 . . . . 640 PRO HG2 . 18971 2
20 . 2 2 3 3 PRO HG3 H 1 2.005 0.000 . 2 . . . . 640 PRO HG3 . 18971 2
21 . 2 2 3 3 PRO HD2 H 1 3.917 0.000 . 2 . . . . 640 PRO HD2 . 18971 2
22 . 2 2 3 3 PRO HD3 H 1 3.755 0.000 . 2 . . . . 640 PRO HD3 . 18971 2
23 . 2 2 3 3 PRO CA C 13 61.976 0.002 . 1 . . . . 640 PRO CA . 18971 2
24 . 2 2 3 3 PRO CB C 13 30.768 0.047 . 1 . . . . 640 PRO CB . 18971 2
25 . 2 2 3 3 PRO CG C 13 26.803 0.000 . 1 . . . . 640 PRO CG . 18971 2
26 . 2 2 3 3 PRO CD C 13 50.761 0.002 . 1 . . . . 640 PRO CD . 18971 2
27 . 2 2 3 3 PRO N N 15 135.815 0.000 . 1 . . . . 640 PRO N . 18971 2
28 . 2 2 4 4 PRO HA H 1 3.807 0.004 . 1 . . . . 641 PRO HA . 18971 2
29 . 2 2 4 4 PRO HB2 H 1 -0.175 0.000 . 2 . . . . 641 PRO HB2 . 18971 2
30 . 2 2 4 4 PRO HB3 H 1 0.675 0.000 . 2 . . . . 641 PRO HB3 . 18971 2
31 . 2 2 4 4 PRO HG2 H 1 0.510 0.000 . 2 . . . . 641 PRO HG2 . 18971 2
32 . 2 2 4 4 PRO HG3 H 1 1.237 0.000 . 2 . . . . 641 PRO HG3 . 18971 2
33 . 2 2 4 4 PRO HD2 H 1 2.795 0.000 . 2 . . . . 641 PRO HD2 . 18971 2
34 . 2 2 4 4 PRO HD3 H 1 3.203 0.000 . 2 . . . . 641 PRO HD3 . 18971 2
35 . 2 2 4 4 PRO CA C 13 61.324 0.019 . 1 . . . . 641 PRO CA . 18971 2
36 . 2 2 4 4 PRO CB C 13 27.758 0.016 . 1 . . . . 641 PRO CB . 18971 2
37 . 2 2 4 4 PRO CG C 13 25.301 0.004 . 1 . . . . 641 PRO CG . 18971 2
38 . 2 2 4 4 PRO CD C 13 48.833 0.002 . 1 . . . . 641 PRO CD . 18971 2
39 . 2 2 4 4 PRO N N 15 134.373 0.000 . 1 . . . . 641 PRO N . 18971 2
40 . 2 2 5 5 PRO HA H 1 3.869 0.000 . 1 . . . . 642 PRO HA . 18971 2
41 . 2 2 5 5 PRO HB2 H 1 1.108 0.000 . 2 . . . . 642 PRO HB2 . 18971 2
42 . 2 2 5 5 PRO HB3 H 1 1.983 0.000 . 2 . . . . 642 PRO HB3 . 18971 2
43 . 2 2 5 5 PRO HG2 H 1 1.586 0.000 . 2 . . . . 642 PRO HG2 . 18971 2
44 . 2 2 5 5 PRO HG3 H 1 1.346 0.000 . 2 . . . . 642 PRO HG3 . 18971 2
45 . 2 2 5 5 PRO HD2 H 1 2.872 0.000 . 2 . . . . 642 PRO HD2 . 18971 2
46 . 2 2 5 5 PRO HD3 H 1 1.110 0.000 . 2 . . . . 642 PRO HD3 . 18971 2
47 . 2 2 5 5 PRO C C 13 175.181 0.000 . 1 . . . . 642 PRO C . 18971 2
48 . 2 2 5 5 PRO CA C 13 62.946 0.044 . 1 . . . . 642 PRO CA . 18971 2
49 . 2 2 5 5 PRO CB C 13 31.617 0.016 . 1 . . . . 642 PRO CB . 18971 2
50 . 2 2 5 5 PRO CG C 13 27.737 0.005 . 1 . . . . 642 PRO CG . 18971 2
51 . 2 2 5 5 PRO CD C 13 48.721 0.009 . 1 . . . . 642 PRO CD . 18971 2
52 . 2 2 5 5 PRO N N 15 133.903 0.000 . 1 . . . . 642 PRO N . 18971 2
53 . 2 2 6 6 ALA H H 1 8.233 0.001 . 1 . . . . 643 ALA H . 18971 2
54 . 2 2 6 6 ALA HA H 1 4.202 0.016 . 1 . . . . 643 ALA HA . 18971 2
55 . 2 2 6 6 ALA HB1 H 1 1.471 0.020 . 0 . . . . 643 ALA HB . 18971 2
56 . 2 2 6 6 ALA HB2 H 1 1.471 0.020 . 0 . . . . 643 ALA HB . 18971 2
57 . 2 2 6 6 ALA HB3 H 1 1.471 0.020 . 0 . . . . 643 ALA HB . 18971 2
58 . 2 2 6 6 ALA C C 13 179.290 0.000 . 1 . . . . 643 ALA C . 18971 2
59 . 2 2 6 6 ALA CA C 13 51.988 0.008 . 1 . . . . 643 ALA CA . 18971 2
60 . 2 2 6 6 ALA CB C 13 18.829 0.052 . 1 . . . . 643 ALA CB . 18971 2
61 . 2 2 6 6 ALA N N 15 125.535 0.000 . 1 . . . . 643 ALA N . 18971 2
62 . 2 2 7 7 TYR H H 1 9.342 0.010 . 1 . . . . 644 TYR H . 18971 2
63 . 2 2 7 7 TYR HA H 1 3.528 0.009 . 1 . . . . 644 TYR HA . 18971 2
64 . 2 2 7 7 TYR HB2 H 1 2.852 0.005 . 2 . . . . 644 TYR HB2 . 18971 2
65 . 2 2 7 7 TYR HB3 H 1 2.649 0.011 . 2 . . . . 644 TYR HB3 . 18971 2
66 . 2 2 7 7 TYR HD1 H 1 6.656 0.000 . 3 . . . . 644 TYR QD . 18971 2
67 . 2 2 7 7 TYR HD2 H 1 6.656 0.000 . 3 . . . . 644 TYR QD . 18971 2
68 . 2 2 7 7 TYR HE1 H 1 6.479 0.000 . 3 . . . . 644 TYR QE . 18971 2
69 . 2 2 7 7 TYR HE2 H 1 6.479 0.000 . 3 . . . . 644 TYR QE . 18971 2
70 . 2 2 7 7 TYR C C 13 177.550 0.000 . 1 . . . . 644 TYR C . 18971 2
71 . 2 2 7 7 TYR CA C 13 62.376 0.046 . 1 . . . . 644 TYR CA . 18971 2
72 . 2 2 7 7 TYR CB C 13 39.541 0.031 . 1 . . . . 644 TYR CB . 18971 2
73 . 2 2 7 7 TYR CD1 C 13 133.176 0.000 . 3 . . . . 644 TYR CD1 . 18971 2
74 . 2 2 7 7 TYR CD2 C 13 133.176 0.000 . 3 . . . . 644 TYR CD2 . 18971 2
75 . 2 2 7 7 TYR CE1 C 13 118.154 0.000 . 3 . . . . 644 TYR CE1 . 18971 2
76 . 2 2 7 7 TYR CE2 C 13 118.154 0.000 . 3 . . . . 644 TYR CE2 . 18971 2
77 . 2 2 7 7 TYR N N 15 125.349 0.000 . 1 . . . . 644 TYR N . 18971 2
78 . 2 2 8 8 ALA H H 1 8.687 0.011 . 1 . . . . 645 ALA H . 18971 2
79 . 2 2 8 8 ALA HA H 1 4.206 0.013 . 1 . . . . 645 ALA HA . 18971 2
80 . 2 2 8 8 ALA HB1 H 1 1.492 0.009 . 0 . . . . 645 ALA HB . 18971 2
81 . 2 2 8 8 ALA HB2 H 1 1.492 0.009 . 0 . . . . 645 ALA HB . 18971 2
82 . 2 2 8 8 ALA HB3 H 1 1.492 0.009 . 0 . . . . 645 ALA HB . 18971 2
83 . 2 2 8 8 ALA C C 13 178.560 0.000 . 1 . . . . 645 ALA C . 18971 2
84 . 2 2 8 8 ALA CA C 13 54.181 0.026 . 1 . . . . 645 ALA CA . 18971 2
85 . 2 2 8 8 ALA CB C 13 18.961 0.058 . 1 . . . . 645 ALA CB . 18971 2
86 . 2 2 8 8 ALA N N 15 117.672 0.000 . 1 . . . . 645 ALA N . 18971 2
87 . 2 2 9 9 THR H H 1 7.693 0.005 . 1 . . . . 646 THR H . 18971 2
88 . 2 2 9 9 THR HA H 1 4.352 0.012 . 1 . . . . 646 THR HA . 18971 2
89 . 2 2 9 9 THR HB H 1 4.407 0.010 . 1 . . . . 646 THR HB . 18971 2
90 . 2 2 9 9 THR HG21 H 1 1.197 0.008 . 0 . . . . 646 THR QG2 . 18971 2
91 . 2 2 9 9 THR HG22 H 1 1.197 0.008 . 0 . . . . 646 THR QG2 . 18971 2
92 . 2 2 9 9 THR HG23 H 1 1.197 0.008 . 0 . . . . 646 THR QG2 . 18971 2
93 . 2 2 9 9 THR C C 13 175.262 0.000 . 1 . . . . 646 THR C . 18971 2
94 . 2 2 9 9 THR CA C 13 61.898 0.036 . 1 . . . . 646 THR CA . 18971 2
95 . 2 2 9 9 THR CB C 13 69.834 0.059 . 1 . . . . 646 THR CB . 18971 2
96 . 2 2 9 9 THR CG2 C 13 21.815 0.000 . 1 . . . . 646 THR CG2 . 18971 2
97 . 2 2 9 9 THR N N 15 106.520 0.000 . 1 . . . . 646 THR N . 18971 2
98 . 2 2 10 10 LEU H H 1 7.258 0.003 . 1 . . . . 647 LEU H . 18971 2
99 . 2 2 10 10 LEU HA H 1 4.121 0.006 . 1 . . . . 647 LEU HA . 18971 2
100 . 2 2 10 10 LEU HB2 H 1 1.507 0.011 . 2 . . . . 647 LEU HB2 . 18971 2
101 . 2 2 10 10 LEU HB3 H 1 1.301 0.010 . 2 . . . . 647 LEU HB3 . 18971 2
102 . 2 2 10 10 LEU HG H 1 1.705 0.000 . 1 . . . . 647 LEU HG . 18971 2
103 . 2 2 10 10 LEU HD11 H 1 0.532 0.000 . 0 . . . . 647 LEU QD1 . 18971 2
104 . 2 2 10 10 LEU HD12 H 1 0.532 0.000 . 0 . . . . 647 LEU QD1 . 18971 2
105 . 2 2 10 10 LEU HD13 H 1 0.532 0.000 . 0 . . . . 647 LEU QD1 . 18971 2
106 . 2 2 10 10 LEU HD21 H 1 0.738 0.000 . 0 . . . . 647 LEU QD2 . 18971 2
107 . 2 2 10 10 LEU HD22 H 1 0.738 0.000 . 0 . . . . 647 LEU QD2 . 18971 2
108 . 2 2 10 10 LEU HD23 H 1 0.738 0.000 . 0 . . . . 647 LEU QD2 . 18971 2
109 . 2 2 10 10 LEU C C 13 178.035 0.000 . 1 . . . . 647 LEU C . 18971 2
110 . 2 2 10 10 LEU CA C 13 55.833 0.016 . 1 . . . . 647 LEU CA . 18971 2
111 . 2 2 10 10 LEU CB C 13 41.550 0.015 . 1 . . . . 647 LEU CB . 18971 2
112 . 2 2 10 10 LEU CG C 13 25.891 0.000 . 1 . . . . 647 LEU CG . 18971 2
113 . 2 2 10 10 LEU CD1 C 13 26.589 0.000 . 2 . . . . 647 LEU CD1 . 18971 2
114 . 2 2 10 10 LEU CD2 C 13 22.589 0.000 . 2 . . . . 647 LEU CD2 . 18971 2
115 . 2 2 10 10 LEU N N 15 121.221 0.000 . 1 . . . . 647 LEU N . 18971 2
116 . 2 2 11 11 GLY H H 1 8.300 0.011 . 1 . . . . 648 GLY H . 18971 2
117 . 2 2 11 11 GLY HA2 H 1 4.005 0.015 . 2 . . . . 648 GLY HA2 . 18971 2
118 . 2 2 11 11 GLY HA3 H 1 3.849 0.012 . 2 . . . . 648 GLY HA3 . 18971 2
119 . 2 2 11 11 GLY CA C 13 45.252 0.005 . 1 . . . . 648 GLY CA . 18971 2
120 . 2 2 11 11 GLY N N 15 109.251 0.002 . 1 . . . . 648 GLY N . 18971 2
stop_
save_