###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30525
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 30525 1
2 '2D 1H-13C HSQC aliphatic' . . . 30525 1
3 '2D 1H-13C HSQC aromatic' . . . 30525 1
4 '3D C(CO)NH' . . . 30525 1
5 '3D HNCO' . . . 30525 1
6 '3D HNCACB' . . . 30525 1
7 '3D H(CCO)NH' . . . 30525 1
8 '3D 1H-15N NOESY' . . . 30525 1
9 '3D 1H-13C NOESY aliphatic' . . . 30525 1
10 '3D 1H-13C NOESY aromatic' . . . 30525 1
11 GHNCO_LRA . . . 30525 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY HA2 H 1 3.838 0.000 . 2 . . . . A 1 GLY HA2 . 30525 1
2 . 1 1 1 1 GLY HA3 H 1 3.744 0.000 . 2 . . . . A 1 GLY HA3 . 30525 1
3 . 1 1 1 1 GLY C C 13 168.999 0.000 . 1 . . . . A 1 GLY C . 30525 1
4 . 1 1 1 1 GLY CA C 13 43.186 0.000 . 1 . . . . A 1 GLY CA . 30525 1
5 . 1 1 2 2 CYS H H 1 8.798 0.000 . 1 . . . . A 2 CYS H . 30525 1
6 . 1 1 2 2 CYS HA H 1 4.890 0.000 . 1 . . . . A 2 CYS HA . 30525 1
7 . 1 1 2 2 CYS HB2 H 1 3.100 0.000 . 2 . . . . A 2 CYS HB2 . 30525 1
8 . 1 1 2 2 CYS HB3 H 1 2.850 0.000 . 2 . . . . A 2 CYS HB3 . 30525 1
9 . 1 1 2 2 CYS CA C 13 52.558 0.000 . 1 . . . . A 2 CYS CA . 30525 1
10 . 1 1 2 2 CYS CB C 13 41.086 0.000 . 1 . . . . A 2 CYS CB . 30525 1
11 . 1 1 2 2 CYS N N 15 121.036 0.000 . 1 . . . . A 2 CYS N . 30525 1
12 . 1 1 3 3 PRO HA H 1 4.333 0.000 . 1 . . . . A 3 PRO HA . 30525 1
13 . 1 1 3 3 PRO HB2 H 1 2.215 0.000 . 2 . . . . A 3 PRO HB2 . 30525 1
14 . 1 1 3 3 PRO HB3 H 1 1.800 0.000 . 2 . . . . A 3 PRO HB3 . 30525 1
15 . 1 1 3 3 PRO HG2 H 1 2.040 0.000 . 2 . . . . A 3 PRO HG2 . 30525 1
16 . 1 1 3 3 PRO HG3 H 1 1.965 0.000 . 2 . . . . A 3 PRO HG3 . 30525 1
17 . 1 1 3 3 PRO HD2 H 1 4.078 0.000 . 2 . . . . A 3 PRO HD2 . 30525 1
18 . 1 1 3 3 PRO HD3 H 1 3.715 0.000 . 2 . . . . A 3 PRO HD3 . 30525 1
19 . 1 1 3 3 PRO C C 13 175.783 0.000 . 1 . . . . A 3 PRO C . 30525 1
20 . 1 1 3 3 PRO CA C 13 63.048 0.000 . 1 . . . . A 3 PRO CA . 30525 1
21 . 1 1 3 3 PRO CB C 13 31.983 0.000 . 1 . . . . A 3 PRO CB . 30525 1
22 . 1 1 3 3 PRO CG C 13 27.598 0.000 . 1 . . . . A 3 PRO CG . 30525 1
23 . 1 1 3 3 PRO CD C 13 51.613 0.000 . 1 . . . . A 3 PRO CD . 30525 1
24 . 1 1 4 4 ARG H H 1 8.349 0.000 . 1 . . . . A 4 ARG H . 30525 1
25 . 1 1 4 4 ARG HA H 1 4.530 0.000 . 1 . . . . A 4 ARG HA . 30525 1
26 . 1 1 4 4 ARG HB2 H 1 1.800 0.000 . 2 . . . . A 4 ARG HB2 . 30525 1
27 . 1 1 4 4 ARG HB3 H 1 1.685 0.000 . 2 . . . . A 4 ARG HB3 . 30525 1
28 . 1 1 4 4 ARG HG2 H 1 1.716 0.000 . 1 . . . . A 4 ARG HG2 . 30525 1
29 . 1 1 4 4 ARG HG3 H 1 1.716 0.000 . 1 . . . . A 4 ARG HG3 . 30525 1
30 . 1 1 4 4 ARG HD2 H 1 3.193 0.000 . 1 . . . . A 4 ARG HD2 . 30525 1
31 . 1 1 4 4 ARG HD3 H 1 3.193 0.000 . 1 . . . . A 4 ARG HD3 . 30525 1
32 . 1 1 4 4 ARG CA C 13 53.752 0.000 . 1 . . . . A 4 ARG CA . 30525 1
33 . 1 1 4 4 ARG CB C 13 29.852 0.000 . 1 . . . . A 4 ARG CB . 30525 1
34 . 1 1 4 4 ARG CG C 13 26.780 0.000 . 1 . . . . A 4 ARG CG . 30525 1
35 . 1 1 4 4 ARG CD C 13 43.130 0.000 . 1 . . . . A 4 ARG CD . 30525 1
36 . 1 1 4 4 ARG N N 15 122.960 0.000 . 1 . . . . A 4 ARG N . 30525 1
37 . 1 1 5 5 PRO HA H 1 4.365 0.000 . 1 . . . . A 5 PRO HA . 30525 1
38 . 1 1 5 5 PRO HB2 H 1 2.189 0.000 . 1 . . . . A 5 PRO HB2 . 30525 1
39 . 1 1 5 5 PRO HB3 H 1 2.189 0.000 . 1 . . . . A 5 PRO HB3 . 30525 1
40 . 1 1 5 5 PRO HG2 H 1 1.901 0.000 . 1 . . . . A 5 PRO HG2 . 30525 1
41 . 1 1 5 5 PRO HG3 H 1 1.901 0.000 . 1 . . . . A 5 PRO HG3 . 30525 1
42 . 1 1 5 5 PRO HD2 H 1 3.867 0.000 . 2 . . . . A 5 PRO HD2 . 30525 1
43 . 1 1 5 5 PRO HD3 H 1 3.535 0.000 . 2 . . . . A 5 PRO HD3 . 30525 1
44 . 1 1 5 5 PRO C C 13 176.386 0.000 . 1 . . . . A 5 PRO C . 30525 1
45 . 1 1 5 5 PRO CA C 13 62.756 0.000 . 1 . . . . A 5 PRO CA . 30525 1
46 . 1 1 5 5 PRO CB C 13 32.462 0.000 . 1 . . . . A 5 PRO CB . 30525 1
47 . 1 1 5 5 PRO CG C 13 27.510 0.000 . 1 . . . . A 5 PRO CG . 30525 1
48 . 1 1 5 5 PRO CD C 13 50.602 0.000 . 1 . . . . A 5 PRO CD . 30525 1
49 . 1 1 6 6 ARG H H 1 8.508 0.000 . 1 . . . . A 6 ARG H . 30525 1
50 . 1 1 6 6 ARG HA H 1 4.294 0.000 . 1 . . . . A 6 ARG HA . 30525 1
51 . 1 1 6 6 ARG HB2 H 1 1.810 0.000 . 2 . . . . A 6 ARG HB2 . 30525 1
52 . 1 1 6 6 ARG HB3 H 1 1.730 0.000 . 2 . . . . A 6 ARG HB3 . 30525 1
53 . 1 1 6 6 ARG HG2 H 1 1.665 0.000 . 2 . . . . A 6 ARG HG2 . 30525 1
54 . 1 1 6 6 ARG HG3 H 1 1.604 0.000 . 2 . . . . A 6 ARG HG3 . 30525 1
55 . 1 1 6 6 ARG HD2 H 1 3.179 0.000 . 1 . . . . A 6 ARG HD2 . 30525 1
56 . 1 1 6 6 ARG HD3 H 1 3.179 0.000 . 1 . . . . A 6 ARG HD3 . 30525 1
57 . 1 1 6 6 ARG C C 13 177.180 0.000 . 1 . . . . A 6 ARG C . 30525 1
58 . 1 1 6 6 ARG CA C 13 55.826 0.001 . 1 . . . . A 6 ARG CA . 30525 1
59 . 1 1 6 6 ARG CB C 13 31.126 0.000 . 1 . . . . A 6 ARG CB . 30525 1
60 . 1 1 6 6 ARG CG C 13 27.095 0.000 . 1 . . . . A 6 ARG CG . 30525 1
61 . 1 1 6 6 ARG CD C 13 43.224 0.000 . 1 . . . . A 6 ARG CD . 30525 1
62 . 1 1 6 6 ARG N N 15 121.307 0.000 . 1 . . . . A 6 ARG N . 30525 1
63 . 1 1 7 7 GLY H H 1 8.559 0.000 . 1 . . . . A 7 GLY H . 30525 1
64 . 1 1 7 7 GLY HA2 H 1 3.912 0.000 . 2 . . . . A 7 GLY HA2 . 30525 1
65 . 1 1 7 7 GLY HA3 H 1 3.768 0.000 . 2 . . . . A 7 GLY HA3 . 30525 1
66 . 1 1 7 7 GLY C C 13 174.113 0.000 . 1 . . . . A 7 GLY C . 30525 1
67 . 1 1 7 7 GLY CA C 13 46.045 0.004 . 1 . . . . A 7 GLY CA . 30525 1
68 . 1 1 7 7 GLY N N 15 110.679 0.000 . 1 . . . . A 7 GLY N . 30525 1
69 . 1 1 8 8 ASP H H 1 8.467 0.000 . 1 . . . . A 8 ASP H . 30525 1
70 . 1 1 8 8 ASP HA H 1 4.600 0.000 . 1 . . . . A 8 ASP HA . 30525 1
71 . 1 1 8 8 ASP HB2 H 1 2.693 0.000 . 2 . . . . A 8 ASP HB2 . 30525 1
72 . 1 1 8 8 ASP HB3 H 1 2.586 0.000 . 2 . . . . A 8 ASP HB3 . 30525 1
73 . 1 1 8 8 ASP C C 13 175.771 0.000 . 1 . . . . A 8 ASP C . 30525 1
74 . 1 1 8 8 ASP CA C 13 53.742 0.001 . 1 . . . . A 8 ASP CA . 30525 1
75 . 1 1 8 8 ASP CB C 13 40.288 0.033 . 1 . . . . A 8 ASP CB . 30525 1
76 . 1 1 8 8 ASP N N 15 121.286 0.000 . 1 . . . . A 8 ASP N . 30525 1
77 . 1 1 9 9 ASN H H 1 7.924 0.000 . 1 . . . . A 9 ASN H . 30525 1
78 . 1 1 9 9 ASN HA H 1 4.840 0.000 . 1 . . . . A 9 ASN HA . 30525 1
79 . 1 1 9 9 ASN HB2 H 1 2.725 0.000 . 2 . . . . A 9 ASN HB2 . 30525 1
80 . 1 1 9 9 ASN HB3 H 1 2.669 0.000 . 2 . . . . A 9 ASN HB3 . 30525 1
81 . 1 1 9 9 ASN HD21 H 1 7.554 0.000 . 2 . . . . A 9 ASN HD21 . 30525 1
82 . 1 1 9 9 ASN HD22 H 1 6.959 0.000 . 2 . . . . A 9 ASN HD22 . 30525 1
83 . 1 1 9 9 ASN CA C 13 51.868 0.000 . 1 . . . . A 9 ASN CA . 30525 1
84 . 1 1 9 9 ASN CB C 13 38.803 0.000 . 1 . . . . A 9 ASN CB . 30525 1
85 . 1 1 9 9 ASN N N 15 119.512 0.000 . 1 . . . . A 9 ASN N . 30525 1
86 . 1 1 9 9 ASN ND2 N 15 113.545 0.000 . 1 . . . . A 9 ASN ND2 . 30525 1
87 . 1 1 10 10 PRO HA H 1 4.668 0.000 . 1 . . . . A 10 PRO HA . 30525 1
88 . 1 1 10 10 PRO HB2 H 1 2.257 0.000 . 2 . . . . A 10 PRO HB2 . 30525 1
89 . 1 1 10 10 PRO HB3 H 1 1.970 0.000 . 2 . . . . A 10 PRO HB3 . 30525 1
90 . 1 1 10 10 PRO HG2 H 1 2.005 0.000 . 1 . . . . A 10 PRO HG2 . 30525 1
91 . 1 1 10 10 PRO HG3 H 1 2.005 0.000 . 1 . . . . A 10 PRO HG3 . 30525 1
92 . 1 1 10 10 PRO HD2 H 1 3.771 0.008 . 2 . . . . A 10 PRO HD2 . 30525 1
93 . 1 1 10 10 PRO HD3 H 1 3.656 0.007 . 2 . . . . A 10 PRO HD3 . 30525 1
94 . 1 1 10 10 PRO CA C 13 61.374 0.000 . 1 . . . . A 10 PRO CA . 30525 1
95 . 1 1 10 10 PRO CB C 13 30.655 0.000 . 1 . . . . A 10 PRO CB . 30525 1
96 . 1 1 10 10 PRO CG C 13 27.100 0.000 . 1 . . . . A 10 PRO CG . 30525 1
97 . 1 1 10 10 PRO CD C 13 50.320 0.000 . 1 . . . . A 10 PRO CD . 30525 1
98 . 1 1 11 11 PRO HA H 1 4.378 0.000 . 1 . . . . A 11 PRO HA . 30525 1
99 . 1 1 11 11 PRO HB2 H 1 2.248 0.000 . 2 . . . . A 11 PRO HB2 . 30525 1
100 . 1 1 11 11 PRO HB3 H 1 1.888 0.000 . 2 . . . . A 11 PRO HB3 . 30525 1
101 . 1 1 11 11 PRO HG2 H 1 1.766 0.000 . 1 . . . . A 11 PRO HG2 . 30525 1
102 . 1 1 11 11 PRO HG3 H 1 1.766 0.000 . 1 . . . . A 11 PRO HG3 . 30525 1
103 . 1 1 11 11 PRO HD2 H 1 3.619 0.008 . 2 . . . . A 11 PRO HD2 . 30525 1
104 . 1 1 11 11 PRO HD3 H 1 3.379 0.007 . 2 . . . . A 11 PRO HD3 . 30525 1
105 . 1 1 11 11 PRO C C 13 175.856 0.000 . 1 . . . . A 11 PRO C . 30525 1
106 . 1 1 11 11 PRO CA C 13 62.334 0.000 . 1 . . . . A 11 PRO CA . 30525 1
107 . 1 1 11 11 PRO CB C 13 32.359 0.000 . 1 . . . . A 11 PRO CB . 30525 1
108 . 1 1 11 11 PRO CG C 13 27.210 0.000 . 1 . . . . A 11 PRO CG . 30525 1
109 . 1 1 11 11 PRO CD C 13 50.082 0.000 . 1 . . . . A 11 PRO CD . 30525 1
110 . 1 1 12 12 LEU H H 1 8.532 0.000 . 1 . . . . A 12 LEU H . 30525 1
111 . 1 1 12 12 LEU HA H 1 4.388 0.000 . 1 . . . . A 12 LEU HA . 30525 1
112 . 1 1 12 12 LEU HB2 H 1 1.632 0.000 . 2 . . . . A 12 LEU HB2 . 30525 1
113 . 1 1 12 12 LEU HB3 H 1 1.602 0.000 . 2 . . . . A 12 LEU HB3 . 30525 1
114 . 1 1 12 12 LEU HG H 1 1.782 0.000 . 1 . . . . A 12 LEU HG . 30525 1
115 . 1 1 12 12 LEU HD11 H 1 1.004 0.024 . 2 . . . . A 12 LEU HD11 . 30525 1
116 . 1 1 12 12 LEU HD12 H 1 1.004 0.024 . 2 . . . . A 12 LEU HD12 . 30525 1
117 . 1 1 12 12 LEU HD13 H 1 1.004 0.024 . 2 . . . . A 12 LEU HD13 . 30525 1
118 . 1 1 12 12 LEU HD21 H 1 0.963 0.024 . 2 . . . . A 12 LEU HD21 . 30525 1
119 . 1 1 12 12 LEU HD22 H 1 0.963 0.024 . 2 . . . . A 12 LEU HD22 . 30525 1
120 . 1 1 12 12 LEU HD23 H 1 0.963 0.024 . 2 . . . . A 12 LEU HD23 . 30525 1
121 . 1 1 12 12 LEU C C 13 177.038 0.000 . 1 . . . . A 12 LEU C . 30525 1
122 . 1 1 12 12 LEU CA C 13 55.066 0.001 . 1 . . . . A 12 LEU CA . 30525 1
123 . 1 1 12 12 LEU CB C 13 43.204 0.003 . 1 . . . . A 12 LEU CB . 30525 1
124 . 1 1 12 12 LEU CG C 13 26.872 0.000 . 1 . . . . A 12 LEU CG . 30525 1
125 . 1 1 12 12 LEU CD1 C 13 25.026 0.000 . 1 . . . . A 12 LEU CD1 . 30525 1
126 . 1 1 12 12 LEU CD2 C 13 23.660 0.000 . 1 . . . . A 12 LEU CD2 . 30525 1
127 . 1 1 12 12 LEU N N 15 122.318 0.000 . 1 . . . . A 12 LEU N . 30525 1
128 . 1 1 13 13 THR H H 1 7.875 0.000 . 1 . . . . A 13 THR H . 30525 1
129 . 1 1 13 13 THR HA H 1 4.620 0.000 . 1 . . . . A 13 THR HA . 30525 1
130 . 1 1 13 13 THR HB H 1 4.127 0.000 . 1 . . . . A 13 THR HB . 30525 1
131 . 1 1 13 13 THR HG21 H 1 1.068 0.000 . 1 . . . . A 13 THR HG21 . 30525 1
132 . 1 1 13 13 THR HG22 H 1 1.068 0.000 . 1 . . . . A 13 THR HG22 . 30525 1
133 . 1 1 13 13 THR HG23 H 1 1.068 0.000 . 1 . . . . A 13 THR HG23 . 30525 1
134 . 1 1 13 13 THR C C 13 173.759 0.000 . 1 . . . . A 13 THR C . 30525 1
135 . 1 1 13 13 THR CA C 13 61.119 0.003 . 1 . . . . A 13 THR CA . 30525 1
136 . 1 1 13 13 THR CB C 13 70.317 0.002 . 1 . . . . A 13 THR CB . 30525 1
137 . 1 1 13 13 THR CG2 C 13 22.526 0.000 . 1 . . . . A 13 THR CG2 . 30525 1
138 . 1 1 13 13 THR N N 15 113.973 0.000 . 1 . . . . A 13 THR N . 30525 1
139 . 1 1 14 14 CYS H H 1 8.117 0.000 . 1 . . . . A 14 CYS H . 30525 1
140 . 1 1 14 14 CYS HA H 1 4.910 0.000 . 1 . . . . A 14 CYS HA . 30525 1
141 . 1 1 14 14 CYS HB2 H 1 3.122 0.010 . 1 . . . . A 14 CYS HB2 . 30525 1
142 . 1 1 14 14 CYS HB3 H 1 3.186 0.009 . 1 . . . . A 14 CYS HB3 . 30525 1
143 . 1 1 14 14 CYS C C 13 172.859 0.000 . 1 . . . . A 14 CYS C . 30525 1
144 . 1 1 14 14 CYS CA C 13 53.976 0.004 . 1 . . . . A 14 CYS CA . 30525 1
145 . 1 1 14 14 CYS CB C 13 47.736 0.005 . 1 . . . . A 14 CYS CB . 30525 1
146 . 1 1 14 14 CYS N N 15 114.868 0.000 . 1 . . . . A 14 CYS N . 30525 1
147 . 1 1 15 15 SER H H 1 9.470 0.000 . 1 . . . . A 15 SER H . 30525 1
148 . 1 1 15 15 SER HA H 1 4.535 0.000 . 1 . . . . A 15 SER HA . 30525 1
149 . 1 1 15 15 SER HB2 H 1 3.833 0.000 . 1 . . . . A 15 SER HB2 . 30525 1
150 . 1 1 15 15 SER HB3 H 1 3.791 0.000 . 1 . . . . A 15 SER HB3 . 30525 1
151 . 1 1 15 15 SER C C 13 173.236 0.000 . 1 . . . . A 15 SER C . 30525 1
152 . 1 1 15 15 SER CA C 13 58.886 0.002 . 1 . . . . A 15 SER CA . 30525 1
153 . 1 1 15 15 SER CB C 13 65.024 0.009 . 1 . . . . A 15 SER CB . 30525 1
154 . 1 1 15 15 SER N N 15 113.677 0.000 . 1 . . . . A 15 SER N . 30525 1
155 . 1 1 16 16 GLN H H 1 8.038 0.000 . 1 . . . . A 16 GLN H . 30525 1
156 . 1 1 16 16 GLN HA H 1 4.741 0.000 . 1 . . . . A 16 GLN HA . 30525 1
157 . 1 1 16 16 GLN HB2 H 1 2.220 0.028 . 2 . . . . A 16 GLN HB2 . 30525 1
158 . 1 1 16 16 GLN HB3 H 1 2.016 0.028 . 2 . . . . A 16 GLN HB3 . 30525 1
159 . 1 1 16 16 GLN HG2 H 1 2.166 0.008 . 1 . . . . A 16 GLN HG2 . 30525 1
160 . 1 1 16 16 GLN HG3 H 1 2.166 0.008 . 1 . . . . A 16 GLN HG3 . 30525 1
161 . 1 1 16 16 GLN HE21 H 1 7.630 0.000 . 2 . . . . A 16 GLN HE21 . 30525 1
162 . 1 1 16 16 GLN HE22 H 1 6.701 0.000 . 2 . . . . A 16 GLN HE22 . 30525 1
163 . 1 1 16 16 GLN C C 13 176.326 0.000 . 1 . . . . A 16 GLN C . 30525 1
164 . 1 1 16 16 GLN CA C 13 53.858 0.004 . 1 . . . . A 16 GLN CA . 30525 1
165 . 1 1 16 16 GLN CB C 13 31.288 0.005 . 1 . . . . A 16 GLN CB . 30525 1
166 . 1 1 16 16 GLN CG C 13 31.964 0.000 . 1 . . . . A 16 GLN CG . 30525 1
167 . 1 1 16 16 GLN N N 15 118.459 0.000 . 1 . . . . A 16 GLN N . 30525 1
168 . 1 1 16 16 GLN NE2 N 15 112.724 0.000 . 1 . . . . A 16 GLN NE2 . 30525 1
169 . 1 1 17 17 ASP H H 1 9.161 0.000 . 1 . . . . A 17 ASP H . 30525 1
170 . 1 1 17 17 ASP HA H 1 4.094 0.000 . 1 . . . . A 17 ASP HA . 30525 1
171 . 1 1 17 17 ASP HB2 H 1 2.756 0.000 . 2 . . . . A 17 ASP HB2 . 30525 1
172 . 1 1 17 17 ASP HB3 H 1 2.661 0.000 . 2 . . . . A 17 ASP HB3 . 30525 1
173 . 1 1 17 17 ASP C C 13 178.387 0.000 . 1 . . . . A 17 ASP C . 30525 1
174 . 1 1 17 17 ASP CA C 13 58.969 0.043 . 1 . . . . A 17 ASP CA . 30525 1
175 . 1 1 17 17 ASP CB C 13 39.587 0.003 . 1 . . . . A 17 ASP CB . 30525 1
176 . 1 1 17 17 ASP N N 15 124.026 0.000 . 1 . . . . A 17 ASP N . 30525 1
177 . 1 1 18 18 SER H H 1 8.367 0.000 . 1 . . . . A 18 SER H . 30525 1
178 . 1 1 18 18 SER HA H 1 4.212 0.000 . 1 . . . . A 18 SER HA . 30525 1
179 . 1 1 18 18 SER HB2 H 1 4.071 0.000 . 2 . . . . A 18 SER HB2 . 30525 1
180 . 1 1 18 18 SER HB3 H 1 3.783 0.000 . 2 . . . . A 18 SER HB3 . 30525 1
181 . 1 1 18 18 SER C C 13 175.037 0.000 . 1 . . . . A 18 SER C . 30525 1
182 . 1 1 18 18 SER CA C 13 60.097 0.001 . 1 . . . . A 18 SER CA . 30525 1
183 . 1 1 18 18 SER CB C 13 62.115 0.025 . 1 . . . . A 18 SER CB . 30525 1
184 . 1 1 18 18 SER N N 15 112.078 0.000 . 1 . . . . A 18 SER N . 30525 1
185 . 1 1 19 19 ASP H H 1 7.657 0.000 . 1 . . . . A 19 ASP H . 30525 1
186 . 1 1 19 19 ASP HA H 1 4.560 0.000 . 1 . . . . A 19 ASP HA . 30525 1
187 . 1 1 19 19 ASP HB2 H 1 2.971 0.000 . 1 . . . . A 19 ASP HB2 . 30525 1
188 . 1 1 19 19 ASP HB3 H 1 2.971 0.000 . 1 . . . . A 19 ASP HB3 . 30525 1
189 . 1 1 19 19 ASP C C 13 176.265 0.000 . 1 . . . . A 19 ASP C . 30525 1
190 . 1 1 19 19 ASP CA C 13 56.046 0.035 . 1 . . . . A 19 ASP CA . 30525 1
191 . 1 1 19 19 ASP CB C 13 42.098 0.027 . 1 . . . . A 19 ASP CB . 30525 1
192 . 1 1 19 19 ASP N N 15 120.585 0.000 . 1 . . . . A 19 ASP N . 30525 1
193 . 1 1 20 20 CYS H H 1 7.844 0.000 . 1 . . . . A 20 CYS H . 30525 1
194 . 1 1 20 20 CYS HA H 1 4.850 0.000 . 1 . . . . A 20 CYS HA . 30525 1
195 . 1 1 20 20 CYS HB2 H 1 3.117 0.000 . 2 . . . . A 20 CYS HB2 . 30525 1
196 . 1 1 20 20 CYS HB3 H 1 2.760 0.000 . 2 . . . . A 20 CYS HB3 . 30525 1
197 . 1 1 20 20 CYS C C 13 174.575 0.000 . 1 . . . . A 20 CYS C . 30525 1
198 . 1 1 20 20 CYS CA C 13 52.205 0.003 . 1 . . . . A 20 CYS CA . 30525 1
199 . 1 1 20 20 CYS CB C 13 40.173 0.006 . 1 . . . . A 20 CYS CB . 30525 1
200 . 1 1 20 20 CYS N N 15 117.188 0.000 . 1 . . . . A 20 CYS N . 30525 1
201 . 1 1 21 21 LEU H H 1 8.358 0.000 . 1 . . . . A 21 LEU H . 30525 1
202 . 1 1 21 21 LEU HA H 1 4.179 0.000 . 1 . . . . A 21 LEU HA . 30525 1
203 . 1 1 21 21 LEU HB2 H 1 1.651 0.000 . 2 . . . . A 21 LEU HB2 . 30525 1
204 . 1 1 21 21 LEU HB3 H 1 1.482 0.000 . 2 . . . . A 21 LEU HB3 . 30525 1
205 . 1 1 21 21 LEU HG H 1 1.765 0.000 . 1 . . . . A 21 LEU HG . 30525 1
206 . 1 1 21 21 LEU HD11 H 1 0.892 0.024 . 2 . . . . A 21 LEU HD11 . 30525 1
207 . 1 1 21 21 LEU HD12 H 1 0.892 0.024 . 2 . . . . A 21 LEU HD12 . 30525 1
208 . 1 1 21 21 LEU HD13 H 1 0.892 0.024 . 2 . . . . A 21 LEU HD13 . 30525 1
209 . 1 1 21 21 LEU HD21 H 1 0.870 0.024 . 2 . . . . A 21 LEU HD21 . 30525 1
210 . 1 1 21 21 LEU HD22 H 1 0.870 0.024 . 2 . . . . A 21 LEU HD22 . 30525 1
211 . 1 1 21 21 LEU HD23 H 1 0.870 0.024 . 2 . . . . A 21 LEU HD23 . 30525 1
212 . 1 1 21 21 LEU C C 13 176.581 0.000 . 1 . . . . A 21 LEU C . 30525 1
213 . 1 1 21 21 LEU CA C 13 54.959 0.044 . 1 . . . . A 21 LEU CA . 30525 1
214 . 1 1 21 21 LEU CB C 13 42.454 0.003 . 1 . . . . A 21 LEU CB . 30525 1
215 . 1 1 21 21 LEU CG C 13 26.911 0.000 . 1 . . . . A 21 LEU CG . 30525 1
216 . 1 1 21 21 LEU CD1 C 13 25.414 0.000 . 1 . . . . A 21 LEU CD1 . 30525 1
217 . 1 1 21 21 LEU CD2 C 13 22.462 0.000 . 1 . . . . A 21 LEU CD2 . 30525 1
218 . 1 1 21 21 LEU N N 15 120.819 0.000 . 1 . . . . A 21 LEU N . 30525 1
219 . 1 1 22 22 ALA H H 1 8.078 0.000 . 1 . . . . A 22 ALA H . 30525 1
220 . 1 1 22 22 ALA HA H 1 4.047 0.000 . 1 . . . . A 22 ALA HA . 30525 1
221 . 1 1 22 22 ALA HB1 H 1 1.334 0.000 . 1 . . . . A 22 ALA HB1 . 30525 1
222 . 1 1 22 22 ALA HB2 H 1 1.334 0.000 . 1 . . . . A 22 ALA HB2 . 30525 1
223 . 1 1 22 22 ALA HB3 H 1 1.334 0.000 . 1 . . . . A 22 ALA HB3 . 30525 1
224 . 1 1 22 22 ALA C C 13 178.282 0.000 . 1 . . . . A 22 ALA C . 30525 1
225 . 1 1 22 22 ALA CA C 13 53.884 0.004 . 1 . . . . A 22 ALA CA . 30525 1
226 . 1 1 22 22 ALA CB C 13 18.096 0.008 . 1 . . . . A 22 ALA CB . 30525 1
227 . 1 1 22 22 ALA N N 15 121.532 0.000 . 1 . . . . A 22 ALA N . 30525 1
228 . 1 1 23 23 GLY H H 1 8.581 0.000 . 1 . . . . A 23 GLY H . 30525 1
229 . 1 1 23 23 GLY HA2 H 1 4.470 0.000 . 1 . . . . A 23 GLY HA2 . 30525 1
230 . 1 1 23 23 GLY HA3 H 1 3.508 0.000 . 1 . . . . A 23 GLY HA3 . 30525 1
231 . 1 1 23 23 GLY C C 13 174.305 0.000 . 1 . . . . A 23 GLY C . 30525 1
232 . 1 1 23 23 GLY CA C 13 44.496 0.006 . 1 . . . . A 23 GLY CA . 30525 1
233 . 1 1 23 23 GLY N N 15 110.212 0.000 . 1 . . . . A 23 GLY N . 30525 1
234 . 1 1 24 24 CYS H H 1 8.341 0.000 . 1 . . . . A 24 CYS H . 30525 1
235 . 1 1 24 24 CYS HA H 1 4.840 0.000 . 1 . . . . A 24 CYS HA . 30525 1
236 . 1 1 24 24 CYS HB2 H 1 3.504 0.000 . 1 . . . . A 24 CYS HB2 . 30525 1
237 . 1 1 24 24 CYS HB3 H 1 3.089 0.000 . 1 . . . . A 24 CYS HB3 . 30525 1
238 . 1 1 24 24 CYS C C 13 172.778 0.000 . 1 . . . . A 24 CYS C . 30525 1
239 . 1 1 24 24 CYS CA C 13 55.092 0.006 . 1 . . . . A 24 CYS CA . 30525 1
240 . 1 1 24 24 CYS CB C 13 46.231 0.006 . 1 . . . . A 24 CYS CB . 30525 1
241 . 1 1 24 24 CYS N N 15 119.067 0.000 . 1 . . . . A 24 CYS N . 30525 1
242 . 1 1 25 25 VAL H H 1 9.339 0.000 . 1 . . . . A 25 VAL H . 30525 1
243 . 1 1 25 25 VAL HA H 1 4.360 0.000 . 1 . . . . A 25 VAL HA . 30525 1
244 . 1 1 25 25 VAL HB H 1 2.110 0.000 . 1 . . . . A 25 VAL HB . 30525 1
245 . 1 1 25 25 VAL HG11 H 1 0.784 0.000 . 2 . . . . A 25 VAL HG11 . 30525 1
246 . 1 1 25 25 VAL HG12 H 1 0.784 0.000 . 2 . . . . A 25 VAL HG12 . 30525 1
247 . 1 1 25 25 VAL HG13 H 1 0.784 0.000 . 2 . . . . A 25 VAL HG13 . 30525 1
248 . 1 1 25 25 VAL HG21 H 1 0.738 0.000 . 2 . . . . A 25 VAL HG21 . 30525 1
249 . 1 1 25 25 VAL HG22 H 1 0.738 0.000 . 2 . . . . A 25 VAL HG22 . 30525 1
250 . 1 1 25 25 VAL HG23 H 1 0.738 0.000 . 2 . . . . A 25 VAL HG23 . 30525 1
251 . 1 1 25 25 VAL C C 13 175.246 0.000 . 1 . . . . A 25 VAL C . 30525 1
252 . 1 1 25 25 VAL CA C 13 59.418 0.019 . 1 . . . . A 25 VAL CA . 30525 1
253 . 1 1 25 25 VAL CB C 13 34.936 0.017 . 1 . . . . A 25 VAL CB . 30525 1
254 . 1 1 25 25 VAL CG1 C 13 21.585 0.001 . 1 . . . . A 25 VAL CG1 . 30525 1
255 . 1 1 25 25 VAL CG2 C 13 18.605 0.000 . 1 . . . . A 25 VAL CG2 . 30525 1
256 . 1 1 25 25 VAL N N 15 115.596 0.000 . 1 . . . . A 25 VAL N . 30525 1
257 . 1 1 26 26 CYS H H 1 9.338 0.000 . 1 . . . . A 26 CYS H . 30525 1
258 . 1 1 26 26 CYS HA H 1 4.810 0.000 . 1 . . . . A 26 CYS HA . 30525 1
259 . 1 1 26 26 CYS HB2 H 1 2.846 0.000 . 2 . . . . A 26 CYS HB2 . 30525 1
260 . 1 1 26 26 CYS HB3 H 1 2.414 0.000 . 2 . . . . A 26 CYS HB3 . 30525 1
261 . 1 1 26 26 CYS C C 13 174.966 0.000 . 1 . . . . A 26 CYS C . 30525 1
262 . 1 1 26 26 CYS CA C 13 55.262 0.015 . 1 . . . . A 26 CYS CA . 30525 1
263 . 1 1 26 26 CYS CB C 13 38.635 0.017 . 1 . . . . A 26 CYS CB . 30525 1
264 . 1 1 26 26 CYS N N 15 123.416 0.000 . 1 . . . . A 26 CYS N . 30525 1
265 . 1 1 27 27 GLY H H 1 8.296 0.000 . 1 . . . . A 27 GLY H . 30525 1
266 . 1 1 27 27 GLY HA2 H 1 4.120 0.000 . 1 . . . . A 27 GLY HA2 . 30525 1
267 . 1 1 27 27 GLY HA3 H 1 4.350 0.000 . 1 . . . . A 27 GLY HA3 . 30525 1
268 . 1 1 27 27 GLY CA C 13 45.377 0.000 . 1 . . . . A 27 GLY CA . 30525 1
269 . 1 1 27 27 GLY N N 15 117.828 0.000 . 1 . . . . A 27 GLY N . 30525 1
270 . 1 1 28 28 PRO HA H 1 4.359 0.000 . 1 . . . . A 28 PRO HA . 30525 1
271 . 1 1 28 28 PRO HB2 H 1 1.964 0.000 . 1 . . . . A 28 PRO HB2 . 30525 1
272 . 1 1 28 28 PRO HB3 H 1 2.318 0.000 . 1 . . . . A 28 PRO HB3 . 30525 1
273 . 1 1 28 28 PRO HG2 H 1 2.042 0.000 . 2 . . . . A 28 PRO HG2 . 30525 1
274 . 1 1 28 28 PRO HG3 H 1 1.965 0.000 . 2 . . . . A 28 PRO HG3 . 30525 1
275 . 1 1 28 28 PRO HD2 H 1 3.734 0.000 . 2 . . . . A 28 PRO HD2 . 30525 1
276 . 1 1 28 28 PRO HD3 H 1 3.659 0.000 . 2 . . . . A 28 PRO HD3 . 30525 1
277 . 1 1 28 28 PRO C C 13 176.696 0.000 . 1 . . . . A 28 PRO C . 30525 1
278 . 1 1 28 28 PRO CA C 13 64.422 0.000 . 1 . . . . A 28 PRO CA . 30525 1
279 . 1 1 28 28 PRO CB C 13 31.593 0.000 . 1 . . . . A 28 PRO CB . 30525 1
280 . 1 1 28 28 PRO CG C 13 27.133 0.000 . 1 . . . . A 28 PRO CG . 30525 1
281 . 1 1 28 28 PRO CD C 13 49.879 0.000 . 1 . . . . A 28 PRO CD . 30525 1
282 . 1 1 29 29 ASN H H 1 8.006 0.000 . 1 . . . . A 29 ASN H . 30525 1
283 . 1 1 29 29 ASN HA H 1 4.660 0.000 . 1 . . . . A 29 ASN HA . 30525 1
284 . 1 1 29 29 ASN HB2 H 1 3.075 0.000 . 2 . . . . A 29 ASN HB2 . 30525 1
285 . 1 1 29 29 ASN HB3 H 1 2.962 0.000 . 2 . . . . A 29 ASN HB3 . 30525 1
286 . 1 1 29 29 ASN HD21 H 1 7.704 0.000 . 2 . . . . A 29 ASN HD21 . 30525 1
287 . 1 1 29 29 ASN HD22 H 1 6.983 0.000 . 2 . . . . A 29 ASN HD22 . 30525 1
288 . 1 1 29 29 ASN C C 13 175.387 0.000 . 1 . . . . A 29 ASN C . 30525 1
289 . 1 1 29 29 ASN CA C 13 52.323 0.017 . 1 . . . . A 29 ASN CA . 30525 1
290 . 1 1 29 29 ASN CB C 13 37.738 0.016 . 1 . . . . A 29 ASN CB . 30525 1
291 . 1 1 29 29 ASN N N 15 114.044 0.000 . 1 . . . . A 29 ASN N . 30525 1
292 . 1 1 29 29 ASN ND2 N 15 111.625 0.000 . 1 . . . . A 29 ASN ND2 . 30525 1
293 . 1 1 30 30 GLY H H 1 8.183 0.000 . 1 . . . . A 30 GLY H . 30525 1
294 . 1 1 30 30 GLY HA2 H 1 3.831 0.000 . 2 . . . . A 30 GLY HA2 . 30525 1
295 . 1 1 30 30 GLY HA3 H 1 3.606 0.000 . 2 . . . . A 30 GLY HA3 . 30525 1
296 . 1 1 30 30 GLY C C 13 173.768 0.000 . 1 . . . . A 30 GLY C . 30525 1
297 . 1 1 30 30 GLY CA C 13 46.608 0.011 . 1 . . . . A 30 GLY CA . 30525 1
298 . 1 1 30 30 GLY N N 15 106.806 0.000 . 1 . . . . A 30 GLY N . 30525 1
299 . 1 1 31 31 PHE H H 1 7.064 0.000 . 1 . . . . A 31 PHE H . 30525 1
300 . 1 1 31 31 PHE HA H 1 5.339 0.000 . 1 . . . . A 31 PHE HA . 30525 1
301 . 1 1 31 31 PHE HB2 H 1 2.644 0.000 . 1 . . . . A 31 PHE HB2 . 30525 1
302 . 1 1 31 31 PHE HB3 H 1 2.952 0.000 . 1 . . . . A 31 PHE HB3 . 30525 1
303 . 1 1 31 31 PHE HD1 H 1 6.890 0.000 . 1 . . . . A 31 PHE HD1 . 30525 1
304 . 1 1 31 31 PHE HD2 H 1 6.890 0.000 . 1 . . . . A 31 PHE HD2 . 30525 1
305 . 1 1 31 31 PHE HE1 H 1 7.250 0.000 . 1 . . . . A 31 PHE HE1 . 30525 1
306 . 1 1 31 31 PHE HE2 H 1 7.250 0.000 . 1 . . . . A 31 PHE HE2 . 30525 1
307 . 1 1 31 31 PHE HZ H 1 7.226 0.000 . 1 . . . . A 31 PHE HZ . 30525 1
308 . 1 1 31 31 PHE C C 13 176.772 0.000 . 1 . . . . A 31 PHE C . 30525 1
309 . 1 1 31 31 PHE CA C 13 56.037 0.000 . 1 . . . . A 31 PHE CA . 30525 1
310 . 1 1 31 31 PHE CB C 13 42.332 0.000 . 1 . . . . A 31 PHE CB . 30525 1
311 . 1 1 31 31 PHE CD1 C 13 130.000 0.000 . 1 . . . . A 31 PHE CD1 . 30525 1
312 . 1 1 31 31 PHE CD2 C 13 130.000 0.000 . 1 . . . . A 31 PHE CD2 . 30525 1
313 . 1 1 31 31 PHE CE1 C 13 129.300 0.000 . 1 . . . . A 31 PHE CE1 . 30525 1
314 . 1 1 31 31 PHE CE2 C 13 129.300 0.000 . 1 . . . . A 31 PHE CE2 . 30525 1
315 . 1 1 31 31 PHE CZ C 13 127.583 0.000 . 1 . . . . A 31 PHE CZ . 30525 1
316 . 1 1 31 31 PHE N N 15 114.333 0.000 . 1 . . . . A 31 PHE N . 30525 1
317 . 1 1 32 32 CYS H H 1 8.805 0.000 . 1 . . . . A 32 CYS H . 30525 1
318 . 1 1 32 32 CYS HA H 1 5.042 0.000 . 1 . . . . A 32 CYS HA . 30525 1
319 . 1 1 32 32 CYS HB2 H 1 2.934 0.000 . 1 . . . . A 32 CYS HB2 . 30525 1
320 . 1 1 32 32 CYS HB3 H 1 2.934 0.000 . 1 . . . . A 32 CYS HB3 . 30525 1
321 . 1 1 32 32 CYS C C 13 175.847 0.000 . 1 . . . . A 32 CYS C . 30525 1
322 . 1 1 32 32 CYS CA C 13 55.572 0.000 . 1 . . . . A 32 CYS CA . 30525 1
323 . 1 1 32 32 CYS CB C 13 42.373 0.000 . 1 . . . . A 32 CYS CB . 30525 1
324 . 1 1 32 32 CYS N N 15 123.580 0.000 . 1 . . . . A 32 CYS N . 30525 1
325 . 1 1 33 33 GLY H H 1 9.171 0.000 . 1 . . . . A 33 GLY H . 30525 1
326 . 1 1 33 33 GLY HA2 H 1 4.120 0.000 . 2 . . . . A 33 GLY HA2 . 30525 1
327 . 1 1 33 33 GLY HA3 H 1 3.817 0.000 . 2 . . . . A 33 GLY HA3 . 30525 1
328 . 1 1 33 33 GLY CA C 13 47.848 0.000 . 1 . . . . A 33 GLY CA . 30525 1
329 . 1 1 33 33 GLY N N 15 117.484 0.000 . 1 . . . . A 33 GLY N . 30525 1
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