###################################
# 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 31120
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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-13C HSQC' . . . 31120 1
2 '2D 1H-15N HSQC' . . . 31120 1
3 '2D 1H-1H NOESY' . . . 31120 1
4 '2D 1H-1H TOCSY' . . . 31120 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 GLY HA2 H 1 3.899 0.000 . 2 . . . . A 1 GLY HA2 . 31120 1
2 . 1 . 1 1 1 GLY CA C 13 43.659 0.000 . 1 . . . . A 1 GLY CA . 31120 1
3 . 1 . 1 2 2 VAL H H 1 8.989 0.001 . 1 . . . . A 2 VAL H . 31120 1
4 . 1 . 1 2 2 VAL HA H 1 4.358 0.003 . 1 . . . . A 2 VAL HA . 31120 1
5 . 1 . 1 2 2 VAL HB H 1 2.077 0.001 . 1 . . . . A 2 VAL HB . 31120 1
6 . 1 . 1 2 2 VAL HG11 H 1 0.927 0.001 . 1 . . . . A 2 VAL HG11 . 31120 1
7 . 1 . 1 2 2 VAL HG12 H 1 0.927 0.001 . 1 . . . . A 2 VAL HG12 . 31120 1
8 . 1 . 1 2 2 VAL HG13 H 1 0.927 0.001 . 1 . . . . A 2 VAL HG13 . 31120 1
9 . 1 . 1 2 2 VAL HG21 H 1 0.920 0.000 . 1 . . . . A 2 VAL HG21 . 31120 1
10 . 1 . 1 2 2 VAL HG22 H 1 0.920 0.000 . 1 . . . . A 2 VAL HG22 . 31120 1
11 . 1 . 1 2 2 VAL HG23 H 1 0.920 0.000 . 1 . . . . A 2 VAL HG23 . 31120 1
12 . 1 . 1 2 2 VAL CA C 13 61.683 0.000 . 1 . . . . A 2 VAL CA . 31120 1
13 . 1 . 1 2 2 VAL CB C 13 34.168 0.000 . 1 . . . . A 2 VAL CB . 31120 1
14 . 1 . 1 2 2 VAL CG1 C 13 20.355 0.000 . 1 . . . . A 2 VAL CG1 . 31120 1
15 . 1 . 1 2 2 VAL CG2 C 13 21.184 0.000 . 1 . . . . A 2 VAL CG2 . 31120 1
16 . 1 . 1 2 2 VAL N N 15 121.245 0.000 . 1 . . . . A 2 VAL N . 31120 1
17 . 1 . 1 3 3 CYS H H 1 8.033 0.002 . 1 . . . . A 3 CYS H . 31120 1
18 . 1 . 1 3 3 CYS HA H 1 5.770 0.003 . 1 . . . . A 3 CYS HA . 31120 1
19 . 1 . 1 3 3 CYS HB2 H 1 2.640 0.001 . 2 . . . . A 3 CYS HB2 . 31120 1
20 . 1 . 1 3 3 CYS HB3 H 1 2.907 0.002 . 2 . . . . A 3 CYS HB3 . 31120 1
21 . 1 . 1 3 3 CYS CA C 13 55.497 0.000 . 1 . . . . A 3 CYS CA . 31120 1
22 . 1 . 1 3 3 CYS CB C 13 49.016 0.010 . 1 . . . . A 3 CYS CB . 31120 1
23 . 1 . 1 3 3 CYS N N 15 119.865 0.000 . 1 . . . . A 3 CYS N . 31120 1
24 . 1 . 1 4 4 TRP H H 1 8.903 0.001 . 1 . . . . A 4 TRP H . 31120 1
25 . 1 . 1 4 4 TRP HA H 1 4.661 0.000 . 1 . . . . A 4 TRP HA . 31120 1
26 . 1 . 1 4 4 TRP HB2 H 1 3.202 0.002 . 1 . . . . A 4 TRP HB2 . 31120 1
27 . 1 . 1 4 4 TRP HB3 H 1 3.362 0.001 . 1 . . . . A 4 TRP HB3 . 31120 1
28 . 1 . 1 4 4 TRP HD1 H 1 6.767 0.001 . 1 . . . . A 4 TRP HD1 . 31120 1
29 . 1 . 1 4 4 TRP HE1 H 1 9.655 0.000 . 1 . . . . A 4 TRP HE1 . 31120 1
30 . 1 . 1 4 4 TRP HE3 H 1 7.065 0.001 . 1 . . . . A 4 TRP HE3 . 31120 1
31 . 1 . 1 4 4 TRP HZ2 H 1 6.818 0.002 . 1 . . . . A 4 TRP HZ2 . 31120 1
32 . 1 . 1 4 4 TRP HZ3 H 1 6.463 0.001 . 1 . . . . A 4 TRP HZ3 . 31120 1
33 . 1 . 1 4 4 TRP HH2 H 1 5.913 0.002 . 1 . . . . A 4 TRP HH2 . 31120 1
34 . 1 . 1 4 4 TRP CB C 13 31.137 0.002 . 1 . . . . A 4 TRP CB . 31120 1
35 . 1 . 1 4 4 TRP CD1 C 13 127.640 0.000 . 1 . . . . A 4 TRP CD1 . 31120 1
36 . 1 . 1 4 4 TRP CE3 C 13 121.414 0.000 . 1 . . . . A 4 TRP CE3 . 31120 1
37 . 1 . 1 4 4 TRP CZ2 C 13 114.232 0.000 . 1 . . . . A 4 TRP CZ2 . 31120 1
38 . 1 . 1 4 4 TRP CZ3 C 13 120.679 0.000 . 1 . . . . A 4 TRP CZ3 . 31120 1
39 . 1 . 1 4 4 TRP CH2 C 13 123.845 0.000 . 1 . . . . A 4 TRP CH2 . 31120 1
40 . 1 . 1 4 4 TRP N N 15 119.321 0.000 . 1 . . . . A 4 TRP N . 31120 1
41 . 1 . 1 4 4 TRP NE1 N 15 128.398 0.000 . 1 . . . . A 4 TRP NE1 . 31120 1
42 . 1 . 1 5 5 ASP H H 1 8.422 0.001 . 1 . . . . A 5 ASP H . 31120 1
43 . 1 . 1 5 5 ASP HA H 1 5.958 0.001 . 1 . . . . A 5 ASP HA . 31120 1
44 . 1 . 1 5 5 ASP HB2 H 1 2.514 0.000 . 2 . . . . A 5 ASP HB2 . 31120 1
45 . 1 . 1 5 5 ASP HB3 H 1 2.620 0.000 . 2 . . . . A 5 ASP HB3 . 31120 1
46 . 1 . 1 5 5 ASP CA C 13 52.494 0.000 . 1 . . . . A 5 ASP CA . 31120 1
47 . 1 . 1 5 5 ASP CB C 13 41.588 0.002 . 1 . . . . A 5 ASP CB . 31120 1
48 . 1 . 1 5 5 ASP N N 15 119.419 0.000 . 1 . . . . A 5 ASP N . 31120 1
49 . 1 . 1 6 6 THR H H 1 9.237 0.001 . 1 . . . . A 6 THR H . 31120 1
50 . 1 . 1 6 6 THR HA H 1 4.470 0.000 . 1 . . . . A 6 THR HA . 31120 1
51 . 1 . 1 6 6 THR HB H 1 5.014 0.002 . 1 . . . . A 6 THR HB . 31120 1
52 . 1 . 1 6 6 THR HG21 H 1 1.537 0.000 . 1 . . . . A 6 THR HG21 . 31120 1
53 . 1 . 1 6 6 THR HG22 H 1 1.537 0.000 . 1 . . . . A 6 THR HG22 . 31120 1
54 . 1 . 1 6 6 THR HG23 H 1 1.537 0.000 . 1 . . . . A 6 THR HG23 . 31120 1
55 . 1 . 1 6 6 THR CA C 13 62.141 0.000 . 1 . . . . A 6 THR CA . 31120 1
56 . 1 . 1 6 6 THR CB C 13 72.356 0.000 . 1 . . . . A 6 THR CB . 31120 1
57 . 1 . 1 6 6 THR CG2 C 13 22.242 0.000 . 1 . . . . A 6 THR CG2 . 31120 1
58 . 1 . 1 6 6 THR N N 15 113.526 0.000 . 1 . . . . A 6 THR N . 31120 1
59 . 1 . 1 7 7 GLY H H 1 8.063 0.000 . 1 . . . . A 7 GLY H . 31120 1
60 . 1 . 1 7 7 GLY HA2 H 1 3.832 0.001 . 2 . . . . A 7 GLY HA2 . 31120 1
61 . 1 . 1 7 7 GLY HA3 H 1 4.276 0.000 . 2 . . . . A 7 GLY HA3 . 31120 1
62 . 1 . 1 7 7 GLY CA C 13 44.630 0.011 . 1 . . . . A 7 GLY CA . 31120 1
63 . 1 . 1 7 7 GLY N N 15 102.621 0.000 . 1 . . . . A 7 GLY N . 31120 1
64 . 1 . 1 8 8 CYS H H 1 8.610 0.002 . 1 . . . . A 8 CYS H . 31120 1
65 . 1 . 1 8 8 CYS HA H 1 4.152 0.003 . 1 . . . . A 8 CYS HA . 31120 1
66 . 1 . 1 8 8 CYS HB2 H 1 2.777 0.003 . 1 . . . . A 8 CYS HB2 . 31120 1
67 . 1 . 1 8 8 CYS HB3 H 1 2.720 0.004 . 1 . . . . A 8 CYS HB3 . 31120 1
68 . 1 . 1 8 8 CYS CA C 13 56.018 0.000 . 1 . . . . A 8 CYS CA . 31120 1
69 . 1 . 1 8 8 CYS CB C 13 38.593 0.007 . 1 . . . . A 8 CYS CB . 31120 1
70 . 1 . 1 8 8 CYS N N 15 117.325 0.000 . 1 . . . . A 8 CYS N . 31120 1
71 . 1 . 1 9 9 GLN H H 1 8.907 0.001 . 1 . . . . A 9 GLN H . 31120 1
72 . 1 . 1 9 9 GLN HA H 1 3.813 0.001 . 1 . . . . A 9 GLN HA . 31120 1
73 . 1 . 1 9 9 GLN HB2 H 1 1.851 0.002 . 2 . . . . A 9 GLN HB2 . 31120 1
74 . 1 . 1 9 9 GLN HB3 H 1 2.533 0.001 . 2 . . . . A 9 GLN HB3 . 31120 1
75 . 1 . 1 9 9 GLN HG2 H 1 2.379 0.006 . 1 . . . . A 9 GLN HG2 . 31120 1
76 . 1 . 1 9 9 GLN HG3 H 1 3.019 0.001 . 1 . . . . A 9 GLN HG3 . 31120 1
77 . 1 . 1 9 9 GLN HE21 H 1 7.702 0.002 . 1 . . . . A 9 GLN HE21 . 31120 1
78 . 1 . 1 9 9 GLN HE22 H 1 6.211 0.002 . 1 . . . . A 9 GLN HE22 . 31120 1
79 . 1 . 1 9 9 GLN CA C 13 55.572 0.000 . 1 . . . . A 9 GLN CA . 31120 1
80 . 1 . 1 9 9 GLN CB C 13 27.314 0.018 . 1 . . . . A 9 GLN CB . 31120 1
81 . 1 . 1 9 9 GLN CG C 13 33.717 0.002 . 1 . . . . A 9 GLN CG . 31120 1
82 . 1 . 1 9 9 GLN N N 15 133.554 0.000 . 1 . . . . A 9 GLN N . 31120 1
83 . 1 . 1 9 9 GLN NE2 N 15 107.134 0.006 . 1 . . . . A 9 GLN NE2 . 31120 1
84 . 1 . 1 10 10 LEU HA H 1 3.868 0.001 . 1 . . . . A 10 LEU HA . 31120 1
85 . 1 . 1 10 10 LEU HB2 H 1 1.132 0.002 . 1 . . . . A 10 LEU HB2 . 31120 1
86 . 1 . 1 10 10 LEU HB3 H 1 0.227 0.001 . 1 . . . . A 10 LEU HB3 . 31120 1
87 . 1 . 1 10 10 LEU HG H 1 0.947 0.003 . 1 . . . . A 10 LEU HG . 31120 1
88 . 1 . 1 10 10 LEU HD11 H 1 0.845 0.001 . 2 . . . . A 10 LEU HD11 . 31120 1
89 . 1 . 1 10 10 LEU HD12 H 1 0.845 0.001 . 2 . . . . A 10 LEU HD12 . 31120 1
90 . 1 . 1 10 10 LEU HD13 H 1 0.845 0.001 . 2 . . . . A 10 LEU HD13 . 31120 1
91 . 1 . 1 10 10 LEU HD21 H 1 0.475 0.002 . 2 . . . . A 10 LEU HD21 . 31120 1
92 . 1 . 1 10 10 LEU HD22 H 1 0.475 0.002 . 2 . . . . A 10 LEU HD22 . 31120 1
93 . 1 . 1 10 10 LEU HD23 H 1 0.475 0.002 . 2 . . . . A 10 LEU HD23 . 31120 1
94 . 1 . 1 10 10 LEU CA C 13 54.754 0.000 . 1 . . . . A 10 LEU CA . 31120 1
95 . 1 . 1 10 10 LEU CB C 13 39.754 0.013 . 1 . . . . A 10 LEU CB . 31120 1
96 . 1 . 1 10 10 LEU CG C 13 26.724 0.000 . 1 . . . . A 10 LEU CG . 31120 1
97 . 1 . 1 10 10 LEU CD1 C 13 25.096 0.000 . 1 . . . . A 10 LEU CD1 . 31120 1
98 . 1 . 1 10 10 LEU CD2 C 13 22.133 0.000 . 1 . . . . A 10 LEU CD2 . 31120 1
99 . 1 . 1 11 11 ASN H H 1 8.402 0.000 . 1 . . . . A 11 ASN H . 31120 1
100 . 1 . 1 11 11 ASN HA H 1 4.207 0.001 . 1 . . . . A 11 ASN HA . 31120 1
101 . 1 . 1 11 11 ASN HB2 H 1 2.693 0.001 . 2 . . . . A 11 ASN HB2 . 31120 1
102 . 1 . 1 11 11 ASN HB3 H 1 2.483 0.002 . 2 . . . . A 11 ASN HB3 . 31120 1
103 . 1 . 1 11 11 ASN HD21 H 1 7.548 0.000 . 1 . . . . A 11 ASN HD21 . 31120 1
104 . 1 . 1 11 11 ASN HD22 H 1 6.856 0.001 . 1 . . . . A 11 ASN HD22 . 31120 1
105 . 1 . 1 11 11 ASN CA C 13 55.390 0.000 . 1 . . . . A 11 ASN CA . 31120 1
106 . 1 . 1 11 11 ASN CB C 13 38.011 0.004 . 1 . . . . A 11 ASN CB . 31120 1
107 . 1 . 1 11 11 ASN N N 15 118.505 0.000 . 1 . . . . A 11 ASN N . 31120 1
108 . 1 . 1 11 11 ASN ND2 N 15 112.534 0.008 . 1 . . . . A 11 ASN ND2 . 31120 1
109 . 1 . 1 12 12 ALA H H 1 7.545 0.001 . 1 . . . . A 12 ALA H . 31120 1
110 . 1 . 1 12 12 ALA HA H 1 4.160 0.002 . 1 . . . . A 12 ALA HA . 31120 1
111 . 1 . 1 12 12 ALA HB1 H 1 1.340 0.002 . 1 . . . . A 12 ALA HB1 . 31120 1
112 . 1 . 1 12 12 ALA HB2 H 1 1.340 0.002 . 1 . . . . A 12 ALA HB2 . 31120 1
113 . 1 . 1 12 12 ALA HB3 H 1 1.340 0.002 . 1 . . . . A 12 ALA HB3 . 31120 1
114 . 1 . 1 12 12 ALA CA C 13 52.777 0.000 . 1 . . . . A 12 ALA CA . 31120 1
115 . 1 . 1 12 12 ALA CB C 13 19.119 0.000 . 1 . . . . A 12 ALA CB . 31120 1
116 . 1 . 1 12 12 ALA N N 15 117.107 0.000 . 1 . . . . A 12 ALA N . 31120 1
117 . 1 . 1 13 13 TRP H H 1 7.673 0.000 . 1 . . . . A 13 TRP H . 31120 1
118 . 1 . 1 13 13 TRP HA H 1 4.667 0.000 . 1 . . . . A 13 TRP HA . 31120 1
119 . 1 . 1 13 13 TRP HB2 H 1 3.308 0.001 . 1 . . . . A 13 TRP HB2 . 31120 1
120 . 1 . 1 13 13 TRP HB3 H 1 3.206 0.001 . 1 . . . . A 13 TRP HB3 . 31120 1
121 . 1 . 1 13 13 TRP HD1 H 1 6.995 0.000 . 1 . . . . A 13 TRP HD1 . 31120 1
122 . 1 . 1 13 13 TRP HE1 H 1 10.321 0.002 . 1 . . . . A 13 TRP HE1 . 31120 1
123 . 1 . 1 13 13 TRP HE3 H 1 7.725 0.001 . 1 . . . . A 13 TRP HE3 . 31120 1
124 . 1 . 1 13 13 TRP HZ2 H 1 7.601 0.001 . 1 . . . . A 13 TRP HZ2 . 31120 1
125 . 1 . 1 13 13 TRP HZ3 H 1 7.237 0.001 . 1 . . . . A 13 TRP HZ3 . 31120 1
126 . 1 . 1 13 13 TRP HH2 H 1 7.391 0.001 . 1 . . . . A 13 TRP HH2 . 31120 1
127 . 1 . 1 13 13 TRP CB C 13 29.366 0.001 . 1 . . . . A 13 TRP CB . 31120 1
128 . 1 . 1 13 13 TRP CD1 C 13 123.924 0.000 . 1 . . . . A 13 TRP CD1 . 31120 1
129 . 1 . 1 13 13 TRP CE3 C 13 120.821 0.000 . 1 . . . . A 13 TRP CE3 . 31120 1
130 . 1 . 1 13 13 TRP CZ2 C 13 115.045 0.000 . 1 . . . . A 13 TRP CZ2 . 31120 1
131 . 1 . 1 13 13 TRP CZ3 C 13 122.182 0.000 . 1 . . . . A 13 TRP CZ3 . 31120 1
132 . 1 . 1 13 13 TRP CH2 C 13 125.190 0.000 . 1 . . . . A 13 TRP CH2 . 31120 1
133 . 1 . 1 13 13 TRP N N 15 119.768 0.000 . 1 . . . . A 13 TRP N . 31120 1
134 . 1 . 1 13 13 TRP NE1 N 15 128.321 0.000 . 1 . . . . A 13 TRP NE1 . 31120 1
135 . 1 . 1 14 14 ALA H H 1 8.473 0.000 . 1 . . . . A 14 ALA H . 31120 1
136 . 1 . 1 14 14 ALA HA H 1 4.115 0.001 . 1 . . . . A 14 ALA HA . 31120 1
137 . 1 . 1 14 14 ALA HB1 H 1 1.399 0.002 . 1 . . . . A 14 ALA HB1 . 31120 1
138 . 1 . 1 14 14 ALA HB2 H 1 1.399 0.002 . 1 . . . . A 14 ALA HB2 . 31120 1
139 . 1 . 1 14 14 ALA HB3 H 1 1.399 0.002 . 1 . . . . A 14 ALA HB3 . 31120 1
140 . 1 . 1 14 14 ALA CA C 13 54.441 0.000 . 1 . . . . A 14 ALA CA . 31120 1
141 . 1 . 1 14 14 ALA CB C 13 19.083 0.000 . 1 . . . . A 14 ALA CB . 31120 1
142 . 1 . 1 14 14 ALA N N 15 123.955 0.000 . 1 . . . . A 14 ALA N . 31120 1
143 . 1 . 1 15 15 VAL H H 1 7.758 0.000 . 1 . . . . A 15 VAL H . 31120 1
144 . 1 . 1 15 15 VAL HA H 1 4.120 0.000 . 1 . . . . A 15 VAL HA . 31120 1
145 . 1 . 1 15 15 VAL HB H 1 1.813 0.000 . 1 . . . . A 15 VAL HB . 31120 1
146 . 1 . 1 15 15 VAL HG11 H 1 0.638 0.001 . 1 . . . . A 15 VAL HG11 . 31120 1
147 . 1 . 1 15 15 VAL HG12 H 1 0.638 0.001 . 1 . . . . A 15 VAL HG12 . 31120 1
148 . 1 . 1 15 15 VAL HG13 H 1 0.638 0.001 . 1 . . . . A 15 VAL HG13 . 31120 1
149 . 1 . 1 15 15 VAL HG21 H 1 0.755 0.000 . 1 . . . . A 15 VAL HG21 . 31120 1
150 . 1 . 1 15 15 VAL HG22 H 1 0.755 0.000 . 1 . . . . A 15 VAL HG22 . 31120 1
151 . 1 . 1 15 15 VAL HG23 H 1 0.755 0.000 . 1 . . . . A 15 VAL HG23 . 31120 1
152 . 1 . 1 15 15 VAL CA C 13 62.063 0.000 . 1 . . . . A 15 VAL CA . 31120 1
153 . 1 . 1 15 15 VAL CB C 13 32.901 0.000 . 1 . . . . A 15 VAL CB . 31120 1
154 . 1 . 1 15 15 VAL CG1 C 13 21.050 0.000 . 1 . . . . A 15 VAL CG1 . 31120 1
155 . 1 . 1 15 15 VAL CG2 C 13 20.631 0.000 . 1 . . . . A 15 VAL CG2 . 31120 1
156 . 1 . 1 15 15 VAL N N 15 117.320 0.000 . 1 . . . . A 15 VAL N . 31120 1
157 . 1 . 1 16 16 ARG H H 1 8.145 0.001 . 1 . . . . A 16 ARG H . 31120 1
158 . 1 . 1 16 16 ARG HA H 1 4.744 0.002 . 1 . . . . A 16 ARG HA . 31120 1
159 . 1 . 1 16 16 ARG HB2 H 1 2.030 0.001 . 2 . . . . A 16 ARG HB2 . 31120 1
160 . 1 . 1 16 16 ARG HB3 H 1 1.803 0.001 . 2 . . . . A 16 ARG HB3 . 31120 1
161 . 1 . 1 16 16 ARG HG2 H 1 1.639 0.004 . 2 . . . . A 16 ARG HG2 . 31120 1
162 . 1 . 1 16 16 ARG HG3 H 1 1.540 0.001 . 2 . . . . A 16 ARG HG3 . 31120 1
163 . 1 . 1 16 16 ARG HD2 H 1 3.338 0.001 . 2 . . . . A 16 ARG HD2 . 31120 1
164 . 1 . 1 16 16 ARG HD3 H 1 3.156 0.002 . 2 . . . . A 16 ARG HD3 . 31120 1
165 . 1 . 1 16 16 ARG HE H 1 7.017 0.001 . 1 . . . . A 16 ARG HE . 31120 1
166 . 1 . 1 16 16 ARG CA C 13 54.565 0.000 . 1 . . . . A 16 ARG CA . 31120 1
167 . 1 . 1 16 16 ARG CB C 13 34.363 0.001 . 1 . . . . A 16 ARG CB . 31120 1
168 . 1 . 1 16 16 ARG CG C 13 26.627 0.028 . 1 . . . . A 16 ARG CG . 31120 1
169 . 1 . 1 16 16 ARG CD C 13 43.976 0.005 . 1 . . . . A 16 ARG CD . 31120 1
170 . 1 . 1 16 16 ARG N N 15 123.632 0.000 . 1 . . . . A 16 ARG N . 31120 1
171 . 1 . 1 16 16 ARG NE N 15 85.339 0.000 . 1 . . . . A 16 ARG NE . 31120 1
172 . 1 . 1 17 17 GLY H H 1 8.700 0.000 . 1 . . . . A 17 GLY H . 31120 1
173 . 1 . 1 17 17 GLY HA2 H 1 1.719 0.000 . 1 . . . . A 17 GLY HA2 . 31120 1
174 . 1 . 1 17 17 GLY HA3 H 1 3.836 0.001 . 1 . . . . A 17 GLY HA3 . 31120 1
175 . 1 . 1 17 17 GLY CA C 13 42.741 0.017 . 1 . . . . A 17 GLY CA . 31120 1
176 . 1 . 1 17 17 GLY N N 15 110.717 0.000 . 1 . . . . A 17 GLY N . 31120 1
177 . 1 . 1 18 18 CYS H H 1 8.910 0.001 . 1 . . . . A 18 CYS H . 31120 1
178 . 1 . 1 18 18 CYS HA H 1 4.453 0.001 . 1 . . . . A 18 CYS HA . 31120 1
179 . 1 . 1 18 18 CYS HB2 H 1 2.630 0.000 . 1 . . . . A 18 CYS HB2 . 31120 1
180 . 1 . 1 18 18 CYS HB3 H 1 2.282 0.002 . 1 . . . . A 18 CYS HB3 . 31120 1
181 . 1 . 1 18 18 CYS CA C 13 57.082 0.000 . 1 . . . . A 18 CYS CA . 31120 1
182 . 1 . 1 18 18 CYS CB C 13 40.887 0.000 . 1 . . . . A 18 CYS CB . 31120 1
183 . 1 . 1 18 18 CYS N N 15 115.323 0.000 . 1 . . . . A 18 CYS N . 31120 1
184 . 1 . 1 19 19 ALA H H 1 8.735 0.000 . 1 . . . . A 19 ALA H . 31120 1
185 . 1 . 1 19 19 ALA HA H 1 4.195 0.002 . 1 . . . . A 19 ALA HA . 31120 1
186 . 1 . 1 19 19 ALA HB1 H 1 1.388 0.001 . 1 . . . . A 19 ALA HB1 . 31120 1
187 . 1 . 1 19 19 ALA HB2 H 1 1.388 0.001 . 1 . . . . A 19 ALA HB2 . 31120 1
188 . 1 . 1 19 19 ALA HB3 H 1 1.388 0.001 . 1 . . . . A 19 ALA HB3 . 31120 1
189 . 1 . 1 19 19 ALA CA C 13 55.931 0.000 . 1 . . . . A 19 ALA CA . 31120 1
190 . 1 . 1 19 19 ALA CB C 13 17.217 0.000 . 1 . . . . A 19 ALA CB . 31120 1
191 . 1 . 1 19 19 ALA N N 15 127.838 0.000 . 1 . . . . A 19 ALA N . 31120 1
192 . 1 . 1 20 20 GLN H H 1 8.147 0.001 . 1 . . . . A 20 GLN H . 31120 1
193 . 1 . 1 20 20 GLN HA H 1 4.012 0.002 . 1 . . . . A 20 GLN HA . 31120 1
194 . 1 . 1 20 20 GLN HB2 H 1 1.423 0.001 . 2 . . . . A 20 GLN HB2 . 31120 1
195 . 1 . 1 20 20 GLN HB3 H 1 1.732 0.002 . 2 . . . . A 20 GLN HB3 . 31120 1
196 . 1 . 1 20 20 GLN HG2 H 1 1.694 0.002 . 1 . . . . A 20 GLN HG2 . 31120 1
197 . 1 . 1 20 20 GLN HG3 H 1 0.296 0.002 . 1 . . . . A 20 GLN HG3 . 31120 1
198 . 1 . 1 20 20 GLN HE21 H 1 6.573 0.001 . 2 . . . . A 20 GLN HE21 . 31120 1
199 . 1 . 1 20 20 GLN HE22 H 1 7.933 0.000 . 2 . . . . A 20 GLN HE22 . 31120 1
200 . 1 . 1 20 20 GLN CA C 13 57.310 0.000 . 1 . . . . A 20 GLN CA . 31120 1
201 . 1 . 1 20 20 GLN CB C 13 27.353 0.009 . 1 . . . . A 20 GLN CB . 31120 1
202 . 1 . 1 20 20 GLN CG C 13 30.809 0.015 . 1 . . . . A 20 GLN CG . 31120 1
203 . 1 . 1 20 20 GLN N N 15 117.298 0.000 . 1 . . . . A 20 GLN N . 31120 1
204 . 1 . 1 20 20 GLN NE2 N 15 111.448 0.000 . 1 . . . . A 20 GLN NE2 . 31120 1
205 . 1 . 1 21 21 TYR H H 1 7.397 0.001 . 1 . . . . A 21 TYR H . 31120 1
206 . 1 . 1 21 21 TYR HA H 1 4.902 0.002 . 1 . . . . A 21 TYR HA . 31120 1
207 . 1 . 1 21 21 TYR HB2 H 1 2.588 0.000 . 1 . . . . A 21 TYR HB2 . 31120 1
208 . 1 . 1 21 21 TYR HB3 H 1 3.688 0.001 . 1 . . . . A 21 TYR HB3 . 31120 1
209 . 1 . 1 21 21 TYR HD1 H 1 7.232 0.003 . 1 . . . . A 21 TYR HD1 . 31120 1
210 . 1 . 1 21 21 TYR HD2 H 1 7.232 0.003 . 1 . . . . A 21 TYR HD2 . 31120 1
211 . 1 . 1 21 21 TYR HE1 H 1 6.777 0.001 . 1 . . . . A 21 TYR HE1 . 31120 1
212 . 1 . 1 21 21 TYR HE2 H 1 6.777 0.001 . 1 . . . . A 21 TYR HE2 . 31120 1
213 . 1 . 1 21 21 TYR CA C 13 55.638 0.000 . 1 . . . . A 21 TYR CA . 31120 1
214 . 1 . 1 21 21 TYR CB C 13 39.326 0.023 . 1 . . . . A 21 TYR CB . 31120 1
215 . 1 . 1 21 21 TYR CD1 C 13 133.636 0.000 . 1 . . . . A 21 TYR CD1 . 31120 1
216 . 1 . 1 21 21 TYR CE1 C 13 118.876 0.000 . 1 . . . . A 21 TYR CE1 . 31120 1
217 . 1 . 1 21 21 TYR N N 15 119.811 0.000 . 1 . . . . A 21 TYR N . 31120 1
218 . 1 . 1 22 22 GLY H H 1 8.289 0.001 . 1 . . . . A 22 GLY H . 31120 1
219 . 1 . 1 22 22 GLY HA2 H 1 3.820 0.000 . 2 . . . . A 22 GLY HA2 . 31120 1
220 . 1 . 1 22 22 GLY HA3 H 1 4.033 0.002 . 2 . . . . A 22 GLY HA3 . 31120 1
221 . 1 . 1 22 22 GLY CA C 13 45.817 0.001 . 1 . . . . A 22 GLY CA . 31120 1
222 . 1 . 1 22 22 GLY N N 15 109.018 0.000 . 1 . . . . A 22 GLY N . 31120 1
223 . 1 . 1 23 23 MET H H 1 7.081 0.001 . 1 . . . . A 23 MET H . 31120 1
224 . 1 . 1 23 23 MET HA H 1 4.630 0.000 . 1 . . . . A 23 MET HA . 31120 1
225 . 1 . 1 23 23 MET HB2 H 1 1.448 0.001 . 1 . . . . A 23 MET HB2 . 31120 1
226 . 1 . 1 23 23 MET HB3 H 1 1.987 0.001 . 1 . . . . A 23 MET HB3 . 31120 1
227 . 1 . 1 23 23 MET HG2 H 1 2.173 0.000 . 2 . . . . A 23 MET HG2 . 31120 1
228 . 1 . 1 23 23 MET HG3 H 1 2.357 0.000 . 2 . . . . A 23 MET HG3 . 31120 1
229 . 1 . 1 23 23 MET HE1 H 1 1.989 0.001 . 1 . . . . A 23 MET HE1 . 31120 1
230 . 1 . 1 23 23 MET HE2 H 1 1.989 0.001 . 1 . . . . A 23 MET HE2 . 31120 1
231 . 1 . 1 23 23 MET HE3 H 1 1.989 0.001 . 1 . . . . A 23 MET HE3 . 31120 1
232 . 1 . 1 23 23 MET CA C 13 54.277 0.000 . 1 . . . . A 23 MET CA . 31120 1
233 . 1 . 1 23 23 MET CB C 13 38.796 0.009 . 1 . . . . A 23 MET CB . 31120 1
234 . 1 . 1 23 23 MET CG C 13 32.411 0.000 . 1 . . . . A 23 MET CG . 31120 1
235 . 1 . 1 23 23 MET CE C 13 16.981 0.000 . 1 . . . . A 23 MET CE . 31120 1
236 . 1 . 1 23 23 MET N N 15 117.463 0.000 . 1 . . . . A 23 MET N . 31120 1
237 . 1 . 1 24 24 ARG H H 1 8.705 0.001 . 1 . . . . A 24 ARG H . 31120 1
238 . 1 . 1 24 24 ARG HA H 1 4.435 0.002 . 1 . . . . A 24 ARG HA . 31120 1
239 . 1 . 1 24 24 ARG HB2 H 1 1.591 0.000 . 2 . . . . A 24 ARG HB2 . 31120 1
240 . 1 . 1 24 24 ARG HB3 H 1 1.539 0.001 . 2 . . . . A 24 ARG HB3 . 31120 1
241 . 1 . 1 24 24 ARG HG2 H 1 1.457 0.003 . 2 . . . . A 24 ARG HG2 . 31120 1
242 . 1 . 1 24 24 ARG HD2 H 1 3.075 0.001 . 2 . . . . A 24 ARG HD2 . 31120 1
243 . 1 . 1 24 24 ARG HD3 H 1 3.075 0.001 . 2 . . . . A 24 ARG HD3 . 31120 1
244 . 1 . 1 24 24 ARG HE H 1 6.997 0.000 . 1 . . . . A 24 ARG HE . 31120 1
245 . 1 . 1 24 24 ARG CA C 13 54.739 0.000 . 1 . . . . A 24 ARG CA . 31120 1
246 . 1 . 1 24 24 ARG CB C 13 32.092 0.001 . 1 . . . . A 24 ARG CB . 31120 1
247 . 1 . 1 24 24 ARG CG C 13 27.487 0.000 . 1 . . . . A 24 ARG CG . 31120 1
248 . 1 . 1 24 24 ARG CD C 13 43.207 0.000 . 1 . . . . A 24 ARG CD . 31120 1
249 . 1 . 1 24 24 ARG N N 15 118.955 0.000 . 1 . . . . A 24 ARG N . 31120 1
250 . 1 . 1 24 24 ARG NE N 15 85.066 0.000 . 1 . . . . A 24 ARG NE . 31120 1
251 . 1 . 1 25 25 ASP H H 1 8.379 0.001 . 1 . . . . A 25 ASP H . 31120 1
252 . 1 . 1 25 25 ASP HA H 1 5.089 0.003 . 1 . . . . A 25 ASP HA . 31120 1
253 . 1 . 1 25 25 ASP HB2 H 1 2.628 0.000 . 2 . . . . A 25 ASP HB2 . 31120 1
254 . 1 . 1 25 25 ASP HB3 H 1 2.508 0.000 . 2 . . . . A 25 ASP HB3 . 31120 1
255 . 1 . 1 25 25 ASP CA C 13 54.224 0.000 . 1 . . . . A 25 ASP CA . 31120 1
256 . 1 . 1 25 25 ASP CB C 13 41.113 0.005 . 1 . . . . A 25 ASP CB . 31120 1
257 . 1 . 1 25 25 ASP N N 15 121.772 0.000 . 1 . . . . A 25 ASP N . 31120 1
258 . 1 . 1 26 26 VAL H H 1 8.852 0.001 . 1 . . . . A 26 VAL H . 31120 1
259 . 1 . 1 26 26 VAL HA H 1 4.358 0.000 . 1 . . . . A 26 VAL HA . 31120 1
260 . 1 . 1 26 26 VAL HB H 1 1.993 0.000 . 1 . . . . A 26 VAL HB . 31120 1
261 . 1 . 1 26 26 VAL HG11 H 1 0.763 0.001 . 2 . . . . A 26 VAL HG11 . 31120 1
262 . 1 . 1 26 26 VAL HG12 H 1 0.763 0.001 . 2 . . . . A 26 VAL HG12 . 31120 1
263 . 1 . 1 26 26 VAL HG13 H 1 0.763 0.001 . 2 . . . . A 26 VAL HG13 . 31120 1
264 . 1 . 1 26 26 VAL HG21 H 1 0.748 0.000 . 2 . . . . A 26 VAL HG21 . 31120 1
265 . 1 . 1 26 26 VAL HG22 H 1 0.748 0.000 . 2 . . . . A 26 VAL HG22 . 31120 1
266 . 1 . 1 26 26 VAL HG23 H 1 0.748 0.000 . 2 . . . . A 26 VAL HG23 . 31120 1
267 . 1 . 1 26 26 VAL CA C 13 62.421 0.000 . 1 . . . . A 26 VAL CA . 31120 1
268 . 1 . 1 26 26 VAL CB C 13 33.257 0.000 . 1 . . . . A 26 VAL CB . 31120 1
269 . 1 . 1 26 26 VAL CG1 C 13 20.939 0.000 . 1 . . . . A 26 VAL CG1 . 31120 1
270 . 1 . 1 26 26 VAL CG2 C 13 21.905 0.000 . 1 . . . . A 26 VAL CG2 . 31120 1
271 . 1 . 1 26 26 VAL N N 15 119.506 0.000 . 1 . . . . A 26 VAL N . 31120 1
272 . 1 . 1 27 27 ASN H H 1 7.626 0.000 . 1 . . . . A 27 ASN H . 31120 1
273 . 1 . 1 27 27 ASN HA H 1 4.860 0.002 . 1 . . . . A 27 ASN HA . 31120 1
274 . 1 . 1 27 27 ASN HB2 H 1 2.678 0.001 . 2 . . . . A 27 ASN HB2 . 31120 1
275 . 1 . 1 27 27 ASN HB3 H 1 2.519 0.000 . 2 . . . . A 27 ASN HB3 . 31120 1
276 . 1 . 1 27 27 ASN HD21 H 1 7.579 0.000 . 2 . . . . A 27 ASN HD21 . 31120 1
277 . 1 . 1 27 27 ASN HD22 H 1 6.801 0.001 . 2 . . . . A 27 ASN HD22 . 31120 1
278 . 1 . 1 27 27 ASN CA C 13 52.533 0.000 . 1 . . . . A 27 ASN CA . 31120 1
279 . 1 . 1 27 27 ASN CB C 13 41.668 0.001 . 1 . . . . A 27 ASN CB . 31120 1
280 . 1 . 1 27 27 ASN N N 15 116.168 0.000 . 1 . . . . A 27 ASN N . 31120 1
281 . 1 . 1 27 27 ASN ND2 N 15 112.088 0.012 . 1 . . . . A 27 ASN ND2 . 31120 1
282 . 1 . 1 28 28 MET H H 1 8.078 0.000 . 1 . . . . A 28 MET H . 31120 1
283 . 1 . 1 28 28 MET HA H 1 4.676 0.000 . 1 . . . . A 28 MET HA . 31120 1
284 . 1 . 1 28 28 MET HB2 H 1 1.679 0.000 . 1 . . . . A 28 MET HB2 . 31120 1
285 . 1 . 1 28 28 MET HB3 H 1 1.563 0.001 . 1 . . . . A 28 MET HB3 . 31120 1
286 . 1 . 1 28 28 MET HG2 H 1 2.185 0.002 . 2 . . . . A 28 MET HG2 . 31120 1
287 . 1 . 1 28 28 MET HG3 H 1 2.260 0.001 . 2 . . . . A 28 MET HG3 . 31120 1
288 . 1 . 1 28 28 MET CA C 13 54.875 0.000 . 1 . . . . A 28 MET CA . 31120 1
289 . 1 . 1 28 28 MET CB C 13 36.588 0.007 . 1 . . . . A 28 MET CB . 31120 1
290 . 1 . 1 28 28 MET CG C 13 32.146 0.003 . 1 . . . . A 28 MET CG . 31120 1
291 . 1 . 1 28 28 MET N N 15 119.944 0.000 . 1 . . . . A 28 MET N . 31120 1
292 . 1 . 1 29 29 LYS H H 1 8.590 0.001 . 1 . . . . A 29 LYS H . 31120 1
293 . 1 . 1 29 29 LYS HA H 1 4.538 0.001 . 1 . . . . A 29 LYS HA . 31120 1
294 . 1 . 1 29 29 LYS HB2 H 1 1.635 0.001 . 2 . . . . A 29 LYS HB2 . 31120 1
295 . 1 . 1 29 29 LYS HB3 H 1 1.539 0.000 . 2 . . . . A 29 LYS HB3 . 31120 1
296 . 1 . 1 29 29 LYS HG2 H 1 1.192 0.003 . 2 . . . . A 29 LYS HG2 . 31120 1
297 . 1 . 1 29 29 LYS HG3 H 1 1.267 0.000 . 2 . . . . A 29 LYS HG3 . 31120 1
298 . 1 . 1 29 29 LYS HD2 H 1 1.512 0.001 . 2 . . . . A 29 LYS HD2 . 31120 1
299 . 1 . 1 29 29 LYS HD3 H 1 1.512 0.001 . 2 . . . . A 29 LYS HD3 . 31120 1
300 . 1 . 1 29 29 LYS HE2 H 1 2.793 0.001 . 2 . . . . A 29 LYS HE2 . 31120 1
301 . 1 . 1 29 29 LYS HE3 H 1 2.683 0.002 . 2 . . . . A 29 LYS HE3 . 31120 1
302 . 1 . 1 29 29 LYS CA C 13 54.498 0.000 . 1 . . . . A 29 LYS CA . 31120 1
303 . 1 . 1 29 29 LYS CB C 13 35.647 0.000 . 1 . . . . A 29 LYS CB . 31120 1
304 . 1 . 1 29 29 LYS CG C 13 24.003 0.024 . 1 . . . . A 29 LYS CG . 31120 1
305 . 1 . 1 29 29 LYS CD C 13 29.319 0.000 . 1 . . . . A 29 LYS CD . 31120 1
306 . 1 . 1 29 29 LYS CE C 13 41.661 0.005 . 1 . . . . A 29 LYS CE . 31120 1
307 . 1 . 1 29 29 LYS N N 15 121.532 0.000 . 1 . . . . A 29 LYS N . 31120 1
308 . 1 . 1 30 30 SER H H 1 8.562 0.001 . 1 . . . . A 30 SER H . 31120 1
309 . 1 . 1 30 30 SER HA H 1 4.318 0.000 . 1 . . . . A 30 SER HA . 31120 1
310 . 1 . 1 30 30 SER HB2 H 1 3.757 0.001 . 2 . . . . A 30 SER HB2 . 31120 1
311 . 1 . 1 30 30 SER HB3 H 1 3.757 0.001 . 2 . . . . A 30 SER HB3 . 31120 1
312 . 1 . 1 30 30 SER CA C 13 59.867 0.000 . 1 . . . . A 30 SER CA . 31120 1
313 . 1 . 1 30 30 SER CB C 13 63.797 0.000 . 1 . . . . A 30 SER CB . 31120 1
314 . 1 . 1 30 30 SER N N 15 117.601 0.000 . 1 . . . . A 30 SER N . 31120 1
315 . 1 . 1 31 31 CYS H H 1 7.901 0.000 . 1 . . . . A 31 CYS H . 31120 1
316 . 1 . 1 31 31 CYS HA H 1 4.674 0.000 . 1 . . . . A 31 CYS HA . 31120 1
317 . 1 . 1 31 31 CYS HB2 H 1 3.449 0.002 . 1 . . . . A 31 CYS HB2 . 31120 1
318 . 1 . 1 31 31 CYS HB3 H 1 2.965 0.002 . 1 . . . . A 31 CYS HB3 . 31120 1
319 . 1 . 1 31 31 CYS CA C 13 55.689 0.000 . 1 . . . . A 31 CYS CA . 31120 1
320 . 1 . 1 31 31 CYS CB C 13 48.090 0.005 . 1 . . . . A 31 CYS CB . 31120 1
321 . 1 . 1 31 31 CYS N N 15 118.168 0.000 . 1 . . . . A 31 CYS N . 31120 1
322 . 1 . 1 32 32 SER H H 1 8.633 0.001 . 1 . . . . A 32 SER H . 31120 1
323 . 1 . 1 32 32 SER HA H 1 4.116 0.002 . 1 . . . . A 32 SER HA . 31120 1
324 . 1 . 1 32 32 SER HB2 H 1 3.785 0.002 . 2 . . . . A 32 SER HB2 . 31120 1
325 . 1 . 1 32 32 SER HB3 H 1 3.707 0.002 . 2 . . . . A 32 SER HB3 . 31120 1
326 . 1 . 1 32 32 SER CA C 13 60.180 0.000 . 1 . . . . A 32 SER CA . 31120 1
327 . 1 . 1 32 32 SER CB C 13 61.886 0.003 . 1 . . . . A 32 SER CB . 31120 1
328 . 1 . 1 32 32 SER N N 15 116.192 0.000 . 1 . . . . A 32 SER N . 31120 1
329 . 1 . 1 33 33 GLY H H 1 8.721 0.000 . 1 . . . . A 33 GLY H . 31120 1
330 . 1 . 1 33 33 GLY HA2 H 1 3.948 0.003 . 1 . . . . A 33 GLY HA2 . 31120 1
331 . 1 . 1 33 33 GLY HA3 H 1 3.669 0.001 . 1 . . . . A 33 GLY HA3 . 31120 1
332 . 1 . 1 33 33 GLY CA C 13 45.740 0.006 . 1 . . . . A 33 GLY CA . 31120 1
333 . 1 . 1 33 33 GLY N N 15 116.384 0.000 . 1 . . . . A 33 GLY N . 31120 1
334 . 1 . 1 34 34 GLY H H 1 7.566 0.001 . 1 . . . . A 34 GLY H . 31120 1
335 . 1 . 1 34 34 GLY HA2 H 1 4.084 0.000 . 2 . . . . A 34 GLY HA2 . 31120 1
336 . 1 . 1 34 34 GLY HA3 H 1 3.584 0.000 . 2 . . . . A 34 GLY HA3 . 31120 1
337 . 1 . 1 34 34 GLY CA C 13 46.943 0.019 . 1 . . . . A 34 GLY CA . 31120 1
338 . 1 . 1 34 34 GLY N N 15 108.197 0.000 . 1 . . . . A 34 GLY N . 31120 1
339 . 1 . 1 35 35 ILE H H 1 7.863 0.002 . 1 . . . . A 35 ILE H . 31120 1
340 . 1 . 1 35 35 ILE HA H 1 4.293 0.001 . 1 . . . . A 35 ILE HA . 31120 1
341 . 1 . 1 35 35 ILE HB H 1 1.359 0.002 . 1 . . . . A 35 ILE HB . 31120 1
342 . 1 . 1 35 35 ILE HG12 H 1 1.220 0.001 . 2 . . . . A 35 ILE HG12 . 31120 1
343 . 1 . 1 35 35 ILE HG13 H 1 0.927 0.000 . 2 . . . . A 35 ILE HG13 . 31120 1
344 . 1 . 1 35 35 ILE HG21 H 1 -0.185 0.002 . 1 . . . . A 35 ILE HG21 . 31120 1
345 . 1 . 1 35 35 ILE HG22 H 1 -0.185 0.002 . 1 . . . . A 35 ILE HG22 . 31120 1
346 . 1 . 1 35 35 ILE HG23 H 1 -0.185 0.002 . 1 . . . . A 35 ILE HG23 . 31120 1
347 . 1 . 1 35 35 ILE HD11 H 1 0.591 0.001 . 1 . . . . A 35 ILE HD11 . 31120 1
348 . 1 . 1 35 35 ILE HD12 H 1 0.591 0.001 . 1 . . . . A 35 ILE HD12 . 31120 1
349 . 1 . 1 35 35 ILE HD13 H 1 0.591 0.001 . 1 . . . . A 35 ILE HD13 . 31120 1
350 . 1 . 1 35 35 ILE CA C 13 59.093 0.000 . 1 . . . . A 35 ILE CA . 31120 1
351 . 1 . 1 35 35 ILE CB C 13 42.882 0.000 . 1 . . . . A 35 ILE CB . 31120 1
352 . 1 . 1 35 35 ILE CG1 C 13 27.612 0.006 . 1 . . . . A 35 ILE CG1 . 31120 1
353 . 1 . 1 35 35 ILE CG2 C 13 16.890 0.000 . 1 . . . . A 35 ILE CG2 . 31120 1
354 . 1 . 1 35 35 ILE CD1 C 13 11.753 0.000 . 1 . . . . A 35 ILE CD1 . 31120 1
355 . 1 . 1 35 35 ILE N N 15 123.275 0.000 . 1 . . . . A 35 ILE N . 31120 1
356 . 1 . 1 36 36 ILE H H 1 8.811 0.001 . 1 . . . . A 36 ILE H . 31120 1
357 . 1 . 1 36 36 ILE HA H 1 3.988 0.000 . 1 . . . . A 36 ILE HA . 31120 1
358 . 1 . 1 36 36 ILE HB H 1 1.299 0.001 . 1 . . . . A 36 ILE HB . 31120 1
359 . 1 . 1 36 36 ILE HG12 H 1 0.585 0.000 . 1 . . . . A 36 ILE HG12 . 31120 1
360 . 1 . 1 36 36 ILE HG13 H 1 1.643 0.001 . 1 . . . . A 36 ILE HG13 . 31120 1
361 . 1 . 1 36 36 ILE HG21 H 1 0.762 0.001 . 1 . . . . A 36 ILE HG21 . 31120 1
362 . 1 . 1 36 36 ILE HG22 H 1 0.762 0.001 . 1 . . . . A 36 ILE HG22 . 31120 1
363 . 1 . 1 36 36 ILE HG23 H 1 0.762 0.001 . 1 . . . . A 36 ILE HG23 . 31120 1
364 . 1 . 1 36 36 ILE HD11 H 1 0.738 0.000 . 1 . . . . A 36 ILE HD11 . 31120 1
365 . 1 . 1 36 36 ILE HD12 H 1 0.738 0.000 . 1 . . . . A 36 ILE HD12 . 31120 1
366 . 1 . 1 36 36 ILE HD13 H 1 0.738 0.000 . 1 . . . . A 36 ILE HD13 . 31120 1
367 . 1 . 1 36 36 ILE CA C 13 60.760 0.000 . 1 . . . . A 36 ILE CA . 31120 1
368 . 1 . 1 36 36 ILE CB C 13 40.691 0.000 . 1 . . . . A 36 ILE CB . 31120 1
369 . 1 . 1 36 36 ILE CG1 C 13 27.591 0.023 . 1 . . . . A 36 ILE CG1 . 31120 1
370 . 1 . 1 36 36 ILE CG2 C 13 16.361 0.000 . 1 . . . . A 36 ILE CG2 . 31120 1
371 . 1 . 1 36 36 ILE CD1 C 13 14.652 0.000 . 1 . . . . A 36 ILE CD1 . 31120 1
372 . 1 . 1 36 36 ILE N N 15 125.544 0.000 . 1 . . . . A 36 ILE N . 31120 1
373 . 1 . 1 37 37 TYR H H 1 8.681 0.000 . 1 . . . . A 37 TYR H . 31120 1
374 . 1 . 1 37 37 TYR HA H 1 4.805 0.000 . 1 . . . . A 37 TYR HA . 31120 1
375 . 1 . 1 37 37 TYR HB2 H 1 2.871 0.002 . 2 . . . . A 37 TYR HB2 . 31120 1
376 . 1 . 1 37 37 TYR HB3 H 1 2.871 0.002 . 2 . . . . A 37 TYR HB3 . 31120 1
377 . 1 . 1 37 37 TYR HD1 H 1 6.999 0.001 . 1 . . . . A 37 TYR HD1 . 31120 1
378 . 1 . 1 37 37 TYR HD2 H 1 6.999 0.001 . 1 . . . . A 37 TYR HD2 . 31120 1
379 . 1 . 1 37 37 TYR HE1 H 1 6.710 0.002 . 1 . . . . A 37 TYR HE1 . 31120 1
380 . 1 . 1 37 37 TYR HE2 H 1 6.710 0.002 . 1 . . . . A 37 TYR HE2 . 31120 1
381 . 1 . 1 37 37 TYR CB C 13 40.522 0.000 . 1 . . . . A 37 TYR CB . 31120 1
382 . 1 . 1 37 37 TYR CD1 C 13 133.901 0.000 . 1 . . . . A 37 TYR CD1 . 31120 1
383 . 1 . 1 37 37 TYR CE1 C 13 118.711 0.000 . 1 . . . . A 37 TYR CE1 . 31120 1
384 . 1 . 1 37 37 TYR N N 15 129.565 0.000 . 1 . . . . A 37 TYR N . 31120 1
385 . 1 . 1 38 38 THR H H 1 8.375 0.000 . 1 . . . . A 38 THR H . 31120 1
386 . 1 . 1 38 38 THR HA H 1 4.980 0.001 . 1 . . . . A 38 THR HA . 31120 1
387 . 1 . 1 38 38 THR HB H 1 3.592 0.001 . 1 . . . . A 38 THR HB . 31120 1
388 . 1 . 1 38 38 THR HG21 H 1 1.037 0.001 . 1 . . . . A 38 THR HG21 . 31120 1
389 . 1 . 1 38 38 THR HG22 H 1 1.037 0.001 . 1 . . . . A 38 THR HG22 . 31120 1
390 . 1 . 1 38 38 THR HG23 H 1 1.037 0.001 . 1 . . . . A 38 THR HG23 . 31120 1
391 . 1 . 1 38 38 THR CA C 13 62.457 0.000 . 1 . . . . A 38 THR CA . 31120 1
392 . 1 . 1 38 38 THR CB C 13 69.541 0.000 . 1 . . . . A 38 THR CB . 31120 1
393 . 1 . 1 38 38 THR CG2 C 13 21.667 0.000 . 1 . . . . A 38 THR CG2 . 31120 1
394 . 1 . 1 38 38 THR N N 15 118.659 0.000 . 1 . . . . A 38 THR N . 31120 1
395 . 1 . 1 39 39 CYS H H 1 9.141 0.001 . 1 . . . . A 39 CYS H . 31120 1
396 . 1 . 1 39 39 CYS HA H 1 5.684 0.001 . 1 . . . . A 39 CYS HA . 31120 1
397 . 1 . 1 39 39 CYS HB2 H 1 1.408 0.000 . 1 . . . . A 39 CYS HB2 . 31120 1
398 . 1 . 1 39 39 CYS HB3 H 1 2.484 0.002 . 1 . . . . A 39 CYS HB3 . 31120 1
399 . 1 . 1 39 39 CYS CA C 13 50.793 0.000 . 1 . . . . A 39 CYS CA . 31120 1
400 . 1 . 1 39 39 CYS CB C 13 38.760 0.004 . 1 . . . . A 39 CYS CB . 31120 1
401 . 1 . 1 39 39 CYS N N 15 126.358 0.000 . 1 . . . . A 39 CYS N . 31120 1
402 . 1 . 1 40 40 CYS H H 1 8.603 0.001 . 1 . . . . A 40 CYS H . 31120 1
403 . 1 . 1 40 40 CYS HA H 1 5.548 0.001 . 1 . . . . A 40 CYS HA . 31120 1
404 . 1 . 1 40 40 CYS HB2 H 1 2.518 0.002 . 2 . . . . A 40 CYS HB2 . 31120 1
405 . 1 . 1 40 40 CYS HB3 H 1 3.205 0.002 . 2 . . . . A 40 CYS HB3 . 31120 1
406 . 1 . 1 40 40 CYS CA C 13 54.798 0.000 . 1 . . . . A 40 CYS CA . 31120 1
407 . 1 . 1 40 40 CYS CB C 13 47.537 0.006 . 1 . . . . A 40 CYS CB . 31120 1
408 . 1 . 1 40 40 CYS N N 15 117.457 0.000 . 1 . . . . A 40 CYS N . 31120 1
409 . 1 . 1 41 41 ASP H H 1 8.313 0.000 . 1 . . . . A 41 ASP H . 31120 1
410 . 1 . 1 41 41 ASP HA H 1 4.388 0.001 . 1 . . . . A 41 ASP HA . 31120 1
411 . 1 . 1 41 41 ASP HB2 H 1 2.706 0.000 . 2 . . . . A 41 ASP HB2 . 31120 1
412 . 1 . 1 41 41 ASP HB3 H 1 2.578 0.000 . 2 . . . . A 41 ASP HB3 . 31120 1
413 . 1 . 1 41 41 ASP CA C 13 56.174 0.000 . 1 . . . . A 41 ASP CA . 31120 1
414 . 1 . 1 41 41 ASP CB C 13 41.640 0.008 . 1 . . . . A 41 ASP CB . 31120 1
415 . 1 . 1 41 41 ASP N N 15 126.917 0.000 . 1 . . . . A 41 ASP N . 31120 1
stop_
save_