###################################
# 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 31062
_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 0.04
_Assigned_chem_shift_list.Chem_shift_13C_err 0.4
_Assigned_chem_shift_list.Chem_shift_15N_err 0.4
_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' . . . 31062 1
2 '2D 1H-15N HSQC' . . . 31062 1
3 '3D 1H-13C NOESY aliphatic' . . . 31062 1
4 '3D 1H-13C NOESY aromatic' . . . 31062 1
5 '3D 1H-15N NOESY' . . . 31062 1
6 '3D C(CO)NH' . . . 31062 1
7 '3D HNCACB' . . . 31062 1
8 '3D H(CCO)NH' . . . 31062 1
9 '3D CBCA(CO)NH' . . . 31062 1
10 '3D HNCO' . . . 31062 1
11 '3D HBHA(CO)NH' . . . 31062 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 SER HA H 1 4.218 0.000 . 1 . . . . A 1 SER HA . 31062 1
2 . 1 . 1 1 1 SER HB2 H 1 4.034 0.000 . 2 . . . . A 1 SER HB2 . 31062 1
3 . 1 . 1 1 1 SER HB3 H 1 3.976 0.000 . 2 . . . . A 1 SER HB3 . 31062 1
4 . 1 . 1 1 1 SER C C 13 170.285 0.000 . 1 . . . . A 1 SER C . 31062 1
5 . 1 . 1 1 1 SER CA C 13 57.352 0.000 . 1 . . . . A 1 SER CA . 31062 1
6 . 1 . 1 1 1 SER CB C 13 63.154 0.000 . 1 . . . . A 1 SER CB . 31062 1
7 . 1 . 1 2 2 CYS H H 1 8.601 0.000 . 1 . . . . A 2 CYS H . 31062 1
8 . 1 . 1 2 2 CYS HA H 1 4.955 0.000 . 1 . . . . A 2 CYS HA . 31062 1
9 . 1 . 1 2 2 CYS HB2 H 1 3.215 0.001 . 2 . . . . A 2 CYS HB2 . 31062 1
10 . 1 . 1 2 2 CYS HB3 H 1 3.127 0.001 . 2 . . . . A 2 CYS HB3 . 31062 1
11 . 1 . 1 2 2 CYS C C 13 173.540 0.000 . 1 . . . . A 2 CYS C . 31062 1
12 . 1 . 1 2 2 CYS CA C 13 54.778 0.000 . 1 . . . . A 2 CYS CA . 31062 1
13 . 1 . 1 2 2 CYS CB C 13 42.163 0.000 . 1 . . . . A 2 CYS CB . 31062 1
14 . 1 . 1 2 2 CYS N N 15 117.562 0.001 . 1 . . . . A 2 CYS N . 31062 1
15 . 1 . 1 3 3 LYS H H 1 8.743 0.000 . 1 . . . . A 3 LYS H . 31062 1
16 . 1 . 1 3 3 LYS HA H 1 4.532 0.000 . 1 . . . . A 3 LYS HA . 31062 1
17 . 1 . 1 3 3 LYS HB2 H 1 1.892 0.000 . 1 . . . . A 3 LYS HB2 . 31062 1
18 . 1 . 1 3 3 LYS HB3 H 1 1.556 0.000 . 1 . . . . A 3 LYS HB3 . 31062 1
19 . 1 . 1 3 3 LYS HG2 H 1 1.472 0.000 . 1 . . . . A 3 LYS HG2 . 31062 1
20 . 1 . 1 3 3 LYS HG3 H 1 1.377 0.000 . 1 . . . . A 3 LYS HG3 . 31062 1
21 . 1 . 1 3 3 LYS HD2 H 1 1.418 0.000 . 1 . . . . A 3 LYS HD2 . 31062 1
22 . 1 . 1 3 3 LYS HD3 H 1 1.770 0.000 . 1 . . . . A 3 LYS HD3 . 31062 1
23 . 1 . 1 3 3 LYS HE2 H 1 2.964 0.000 . 2 . . . . A 3 LYS HE2 . 31062 1
24 . 1 . 1 3 3 LYS HE3 H 1 2.964 0.000 . 2 . . . . A 3 LYS HE3 . 31062 1
25 . 1 . 1 3 3 LYS C C 13 174.227 0.000 . 1 . . . . A 3 LYS C . 31062 1
26 . 1 . 1 3 3 LYS CA C 13 56.477 0.002 . 1 . . . . A 3 LYS CA . 31062 1
27 . 1 . 1 3 3 LYS CB C 13 36.635 0.008 . 1 . . . . A 3 LYS CB . 31062 1
28 . 1 . 1 3 3 LYS CG C 13 25.945 0.000 . 1 . . . . A 3 LYS CG . 31062 1
29 . 1 . 1 3 3 LYS CD C 13 29.684 0.001 . 1 . . . . A 3 LYS CD . 31062 1
30 . 1 . 1 3 3 LYS CE C 13 42.551 0.000 . 1 . . . . A 3 LYS CE . 31062 1
31 . 1 . 1 3 3 LYS N N 15 120.565 0.001 . 1 . . . . A 3 LYS N . 31062 1
32 . 1 . 1 4 4 VAL H H 1 7.830 0.000 . 1 . . . . A 4 VAL H . 31062 1
33 . 1 . 1 4 4 VAL HA H 1 4.263 0.000 . 1 . . . . A 4 VAL HA . 31062 1
34 . 1 . 1 4 4 VAL HB H 1 1.780 0.000 . 1 . . . . A 4 VAL HB . 31062 1
35 . 1 . 1 4 4 VAL HG11 H 1 0.777 0.000 . 2 . . . . A 4 VAL HG11 . 31062 1
36 . 1 . 1 4 4 VAL HG12 H 1 0.777 0.000 . 2 . . . . A 4 VAL HG12 . 31062 1
37 . 1 . 1 4 4 VAL HG13 H 1 0.777 0.000 . 2 . . . . A 4 VAL HG13 . 31062 1
38 . 1 . 1 4 4 VAL HG21 H 1 0.562 0.000 . 2 . . . . A 4 VAL HG21 . 31062 1
39 . 1 . 1 4 4 VAL HG22 H 1 0.562 0.000 . 2 . . . . A 4 VAL HG22 . 31062 1
40 . 1 . 1 4 4 VAL HG23 H 1 0.562 0.000 . 2 . . . . A 4 VAL HG23 . 31062 1
41 . 1 . 1 4 4 VAL CA C 13 57.353 0.000 . 1 . . . . A 4 VAL CA . 31062 1
42 . 1 . 1 4 4 VAL CB C 13 31.317 0.000 . 1 . . . . A 4 VAL CB . 31062 1
43 . 1 . 1 4 4 VAL CG1 C 13 21.946 0.001 . 1 . . . . A 4 VAL CG1 . 31062 1
44 . 1 . 1 4 4 VAL CG2 C 13 17.100 0.002 . 1 . . . . A 4 VAL CG2 . 31062 1
45 . 1 . 1 4 4 VAL N N 15 111.814 0.009 . 1 . . . . A 4 VAL N . 31062 1
46 . 1 . 1 5 5 PRO HA H 1 4.087 0.000 . 1 . . . . A 5 PRO HA . 31062 1
47 . 1 . 1 5 5 PRO HB2 H 1 0.519 0.000 . 1 . . . . A 5 PRO HB2 . 31062 1
48 . 1 . 1 5 5 PRO HB3 H 1 0.407 0.000 . 1 . . . . A 5 PRO HB3 . 31062 1
49 . 1 . 1 5 5 PRO HG2 H 1 0.224 0.000 . 1 . . . . A 5 PRO HG2 . 31062 1
50 . 1 . 1 5 5 PRO HG3 H 1 0.376 0.000 . 1 . . . . A 5 PRO HG3 . 31062 1
51 . 1 . 1 5 5 PRO HD2 H 1 2.364 0.000 . 2 . . . . A 5 PRO HD2 . 31062 1
52 . 1 . 1 5 5 PRO HD3 H 1 1.486 0.000 . 2 . . . . A 5 PRO HD3 . 31062 1
53 . 1 . 1 5 5 PRO C C 13 177.792 0.000 . 1 . . . . A 5 PRO C . 31062 1
54 . 1 . 1 5 5 PRO CA C 13 58.584 0.000 . 1 . . . . A 5 PRO CA . 31062 1
55 . 1 . 1 5 5 PRO CB C 13 30.937 0.000 . 1 . . . . A 5 PRO CB . 31062 1
56 . 1 . 1 5 5 PRO CG C 13 28.925 0.000 . 1 . . . . A 5 PRO CG . 31062 1
57 . 1 . 1 5 5 PRO CD C 13 49.657 0.006 . 1 . . . . A 5 PRO CD . 31062 1
58 . 1 . 1 6 6 PHE H H 1 7.919 0.001 . 1 . . . . A 6 PHE H . 31062 1
59 . 1 . 1 6 6 PHE HA H 1 4.628 0.001 . 1 . . . . A 6 PHE HA . 31062 1
60 . 1 . 1 6 6 PHE HB2 H 1 2.281 0.001 . 2 . . . . A 6 PHE HB2 . 31062 1
61 . 1 . 1 6 6 PHE HB3 H 1 2.200 0.003 . 2 . . . . A 6 PHE HB3 . 31062 1
62 . 1 . 1 6 6 PHE HD1 H 1 6.792 0.000 . 1 . . . . A 6 PHE HD1 . 31062 1
63 . 1 . 1 6 6 PHE HD2 H 1 6.792 0.000 . 1 . . . . A 6 PHE HD2 . 31062 1
64 . 1 . 1 6 6 PHE HE1 H 1 7.375 0.000 . 1 . . . . A 6 PHE HE1 . 31062 1
65 . 1 . 1 6 6 PHE HE2 H 1 7.375 0.000 . 1 . . . . A 6 PHE HE2 . 31062 1
66 . 1 . 1 6 6 PHE HZ H 1 7.376 0.000 . 1 . . . . A 6 PHE HZ . 31062 1
67 . 1 . 1 6 6 PHE C C 13 174.200 0.000 . 1 . . . . A 6 PHE C . 31062 1
68 . 1 . 1 6 6 PHE CA C 13 60.266 0.000 . 1 . . . . A 6 PHE CA . 31062 1
69 . 1 . 1 6 6 PHE CB C 13 37.632 0.000 . 1 . . . . A 6 PHE CB . 31062 1
70 . 1 . 1 6 6 PHE CD1 C 13 132.694 0.003 . 1 . . . . A 6 PHE CD1 . 31062 1
71 . 1 . 1 6 6 PHE CD2 C 13 132.694 0.000 . 1 . . . . A 6 PHE CD2 . 31062 1
72 . 1 . 1 6 6 PHE CE1 C 13 130.870 0.004 . 1 . . . . A 6 PHE CE1 . 31062 1
73 . 1 . 1 6 6 PHE CE2 C 13 130.870 0.000 . 1 . . . . A 6 PHE CE2 . 31062 1
74 . 1 . 1 6 6 PHE CZ C 13 129.537 0.000 . 1 . . . . A 6 PHE CZ . 31062 1
75 . 1 . 1 6 6 PHE N N 15 130.001 0.000 . 1 . . . . A 6 PHE N . 31062 1
76 . 1 . 1 7 7 ASN H H 1 8.922 0.000 . 1 . . . . A 7 ASN H . 31062 1
77 . 1 . 1 7 7 ASN HA H 1 4.538 0.002 . 1 . . . . A 7 ASN HA . 31062 1
78 . 1 . 1 7 7 ASN HB2 H 1 2.685 0.001 . 1 . . . . A 7 ASN HB2 . 31062 1
79 . 1 . 1 7 7 ASN HB3 H 1 2.762 0.000 . 1 . . . . A 7 ASN HB3 . 31062 1
80 . 1 . 1 7 7 ASN HD21 H 1 7.449 0.000 . 1 . . . . A 7 ASN HD21 . 31062 1
81 . 1 . 1 7 7 ASN HD22 H 1 7.161 0.000 . 1 . . . . A 7 ASN HD22 . 31062 1
82 . 1 . 1 7 7 ASN C C 13 174.922 0.000 . 1 . . . . A 7 ASN C . 31062 1
83 . 1 . 1 7 7 ASN CA C 13 53.418 0.004 . 1 . . . . A 7 ASN CA . 31062 1
84 . 1 . 1 7 7 ASN CB C 13 40.526 0.010 . 1 . . . . A 7 ASN CB . 31062 1
85 . 1 . 1 7 7 ASN N N 15 119.658 0.003 . 1 . . . . A 7 ASN N . 31062 1
86 . 1 . 1 7 7 ASN ND2 N 15 112.534 0.000 . 1 . . . . A 7 ASN ND2 . 31062 1
87 . 1 . 1 8 8 GLU H H 1 8.665 0.000 . 1 . . . . A 8 GLU H . 31062 1
88 . 1 . 1 8 8 GLU HA H 1 4.776 0.000 . 1 . . . . A 8 GLU HA . 31062 1
89 . 1 . 1 8 8 GLU HB2 H 1 2.129 0.001 . 2 . . . . A 8 GLU HB2 . 31062 1
90 . 1 . 1 8 8 GLU HB3 H 1 2.129 0.001 . 2 . . . . A 8 GLU HB3 . 31062 1
91 . 1 . 1 8 8 GLU HG2 H 1 2.629 0.000 . 2 . . . . A 8 GLU HG2 . 31062 1
92 . 1 . 1 8 8 GLU HG3 H 1 2.532 0.001 . 2 . . . . A 8 GLU HG3 . 31062 1
93 . 1 . 1 8 8 GLU C C 13 174.751 0.000 . 1 . . . . A 8 GLU C . 31062 1
94 . 1 . 1 8 8 GLU CA C 13 56.966 0.000 . 1 . . . . A 8 GLU CA . 31062 1
95 . 1 . 1 8 8 GLU CB C 13 29.542 0.000 . 1 . . . . A 8 GLU CB . 31062 1
96 . 1 . 1 8 8 GLU CG C 13 35.269 0.000 . 1 . . . . A 8 GLU CG . 31062 1
97 . 1 . 1 8 8 GLU N N 15 121.826 0.009 . 1 . . . . A 8 GLU N . 31062 1
98 . 1 . 1 9 9 CYS H H 1 8.568 0.001 . 1 . . . . A 9 CYS H . 31062 1
99 . 1 . 1 9 9 CYS HA H 1 4.936 0.000 . 1 . . . . A 9 CYS HA . 31062 1
100 . 1 . 1 9 9 CYS HB2 H 1 3.199 0.000 . 2 . . . . A 9 CYS HB2 . 31062 1
101 . 1 . 1 9 9 CYS HB3 H 1 3.120 0.001 . 2 . . . . A 9 CYS HB3 . 31062 1
102 . 1 . 1 9 9 CYS C C 13 171.906 0.000 . 1 . . . . A 9 CYS C . 31062 1
103 . 1 . 1 9 9 CYS CA C 13 53.190 0.000 . 1 . . . . A 9 CYS CA . 31062 1
104 . 1 . 1 9 9 CYS CB C 13 47.912 0.000 . 1 . . . . A 9 CYS CB . 31062 1
105 . 1 . 1 9 9 CYS N N 15 117.976 0.001 . 1 . . . . A 9 CYS N . 31062 1
106 . 1 . 1 10 10 LYS H H 1 8.648 0.000 . 1 . . . . A 10 LYS H . 31062 1
107 . 1 . 1 10 10 LYS HA H 1 4.370 0.000 . 1 . . . . A 10 LYS HA . 31062 1
108 . 1 . 1 10 10 LYS HB2 H 1 1.639 0.000 . 2 . . . . A 10 LYS HB2 . 31062 1
109 . 1 . 1 10 10 LYS HB3 H 1 1.614 0.000 . 2 . . . . A 10 LYS HB3 . 31062 1
110 . 1 . 1 10 10 LYS HG2 H 1 1.370 0.001 . 2 . . . . A 10 LYS HG2 . 31062 1
111 . 1 . 1 10 10 LYS HG3 H 1 1.220 0.000 . 2 . . . . A 10 LYS HG3 . 31062 1
112 . 1 . 1 10 10 LYS HD2 H 1 1.614 0.001 . 2 . . . . A 10 LYS HD2 . 31062 1
113 . 1 . 1 10 10 LYS HD3 H 1 1.614 0.001 . 2 . . . . A 10 LYS HD3 . 31062 1
114 . 1 . 1 10 10 LYS HE2 H 1 2.956 0.001 . 2 . . . . A 10 LYS HE2 . 31062 1
115 . 1 . 1 10 10 LYS HE3 H 1 2.956 0.001 . 2 . . . . A 10 LYS HE3 . 31062 1
116 . 1 . 1 10 10 LYS C C 13 176.036 0.000 . 1 . . . . A 10 LYS C . 31062 1
117 . 1 . 1 10 10 LYS CA C 13 54.470 0.000 . 1 . . . . A 10 LYS CA . 31062 1
118 . 1 . 1 10 10 LYS CB C 13 32.662 0.000 . 1 . . . . A 10 LYS CB . 31062 1
119 . 1 . 1 10 10 LYS CG C 13 24.539 0.005 . 1 . . . . A 10 LYS CG . 31062 1
120 . 1 . 1 10 10 LYS CD C 13 29.100 0.009 . 1 . . . . A 10 LYS CD . 31062 1
121 . 1 . 1 10 10 LYS CE C 13 42.187 0.000 . 1 . . . . A 10 LYS CE . 31062 1
122 . 1 . 1 10 10 LYS N N 15 122.943 0.000 . 1 . . . . A 10 LYS N . 31062 1
123 . 1 . 1 11 11 TYR H H 1 9.114 0.000 . 1 . . . . A 11 TYR H . 31062 1
124 . 1 . 1 11 11 TYR HA H 1 3.817 0.000 . 1 . . . . A 11 TYR HA . 31062 1
125 . 1 . 1 11 11 TYR HB2 H 1 2.977 0.000 . 2 . . . . A 11 TYR HB2 . 31062 1
126 . 1 . 1 11 11 TYR HB3 H 1 2.826 0.000 . 2 . . . . A 11 TYR HB3 . 31062 1
127 . 1 . 1 11 11 TYR HD1 H 1 6.935 0.003 . 1 . . . . A 11 TYR HD1 . 31062 1
128 . 1 . 1 11 11 TYR HD2 H 1 6.935 0.003 . 1 . . . . A 11 TYR HD2 . 31062 1
129 . 1 . 1 11 11 TYR HE1 H 1 6.917 0.000 . 1 . . . . A 11 TYR HE1 . 31062 1
130 . 1 . 1 11 11 TYR HE2 H 1 6.917 0.000 . 1 . . . . A 11 TYR HE2 . 31062 1
131 . 1 . 1 11 11 TYR C C 13 176.258 0.000 . 1 . . . . A 11 TYR C . 31062 1
132 . 1 . 1 11 11 TYR CA C 13 61.657 0.000 . 1 . . . . A 11 TYR CA . 31062 1
133 . 1 . 1 11 11 TYR CB C 13 37.821 0.004 . 1 . . . . A 11 TYR CB . 31062 1
134 . 1 . 1 11 11 TYR CD1 C 13 133.140 0.000 . 1 . . . . A 11 TYR CD1 . 31062 1
135 . 1 . 1 11 11 TYR CD2 C 13 133.140 0.000 . 1 . . . . A 11 TYR CD2 . 31062 1
136 . 1 . 1 11 11 TYR CE1 C 13 118.536 0.003 . 1 . . . . A 11 TYR CE1 . 31062 1
137 . 1 . 1 11 11 TYR CE2 C 13 118.536 0.000 . 1 . . . . A 11 TYR CE2 . 31062 1
138 . 1 . 1 11 11 TYR N N 15 132.259 0.000 . 1 . . . . A 11 TYR N . 31062 1
139 . 1 . 1 12 12 GLY H H 1 8.310 0.000 . 1 . . . . A 12 GLY H . 31062 1
140 . 1 . 1 12 12 GLY HA2 H 1 3.308 0.001 . 2 . . . . A 12 GLY HA2 . 31062 1
141 . 1 . 1 12 12 GLY HA3 H 1 4.051 0.002 . 2 . . . . A 12 GLY HA3 . 31062 1
142 . 1 . 1 12 12 GLY C C 13 173.808 0.000 . 1 . . . . A 12 GLY C . 31062 1
143 . 1 . 1 12 12 GLY CA C 13 44.850 0.000 . 1 . . . . A 12 GLY CA . 31062 1
144 . 1 . 1 12 12 GLY N N 15 117.167 0.001 . 1 . . . . A 12 GLY N . 31062 1
145 . 1 . 1 13 13 ALA H H 1 7.612 0.000 . 1 . . . . A 13 ALA H . 31062 1
146 . 1 . 1 13 13 ALA HA H 1 4.516 0.002 . 1 . . . . A 13 ALA HA . 31062 1
147 . 1 . 1 13 13 ALA HB1 H 1 1.384 0.000 . 1 . . . . A 13 ALA HB1 . 31062 1
148 . 1 . 1 13 13 ALA HB2 H 1 1.384 0.000 . 1 . . . . A 13 ALA HB2 . 31062 1
149 . 1 . 1 13 13 ALA HB3 H 1 1.384 0.000 . 1 . . . . A 13 ALA HB3 . 31062 1
150 . 1 . 1 13 13 ALA C C 13 176.025 0.000 . 1 . . . . A 13 ALA C . 31062 1
151 . 1 . 1 13 13 ALA CA C 13 51.480 0.000 . 1 . . . . A 13 ALA CA . 31062 1
152 . 1 . 1 13 13 ALA CB C 13 19.649 0.007 . 1 . . . . A 13 ALA CB . 31062 1
153 . 1 . 1 13 13 ALA N N 15 122.012 0.007 . 1 . . . . A 13 ALA N . 31062 1
154 . 1 . 1 14 14 ASP H H 1 8.330 0.000 . 1 . . . . A 14 ASP H . 31062 1
155 . 1 . 1 14 14 ASP HA H 1 4.654 0.008 . 1 . . . . A 14 ASP HA . 31062 1
156 . 1 . 1 14 14 ASP HB2 H 1 2.929 0.001 . 2 . . . . A 14 ASP HB2 . 31062 1
157 . 1 . 1 14 14 ASP HB3 H 1 2.486 0.003 . 2 . . . . A 14 ASP HB3 . 31062 1
158 . 1 . 1 14 14 ASP C C 13 175.684 0.000 . 1 . . . . A 14 ASP C . 31062 1
159 . 1 . 1 14 14 ASP CA C 13 54.214 0.000 . 1 . . . . A 14 ASP CA . 31062 1
160 . 1 . 1 14 14 ASP CB C 13 39.306 0.006 . 1 . . . . A 14 ASP CB . 31062 1
161 . 1 . 1 14 14 ASP N N 15 119.933 0.005 . 1 . . . . A 14 ASP N . 31062 1
162 . 1 . 1 15 15 GLU H H 1 8.888 0.000 . 1 . . . . A 15 GLU H . 31062 1
163 . 1 . 1 15 15 GLU HA H 1 4.229 0.000 . 1 . . . . A 15 GLU HA . 31062 1
164 . 1 . 1 15 15 GLU HB2 H 1 2.057 0.000 . 2 . . . . A 15 GLU HB2 . 31062 1
165 . 1 . 1 15 15 GLU HB3 H 1 2.004 0.000 . 2 . . . . A 15 GLU HB3 . 31062 1
166 . 1 . 1 15 15 GLU HG2 H 1 2.287 0.001 . 2 . . . . A 15 GLU HG2 . 31062 1
167 . 1 . 1 15 15 GLU HG3 H 1 2.162 0.000 . 2 . . . . A 15 GLU HG3 . 31062 1
168 . 1 . 1 15 15 GLU C C 13 178.792 0.000 . 1 . . . . A 15 GLU C . 31062 1
169 . 1 . 1 15 15 GLU CA C 13 57.680 0.000 . 1 . . . . A 15 GLU CA . 31062 1
170 . 1 . 1 15 15 GLU CB C 13 32.500 0.000 . 1 . . . . A 15 GLU CB . 31062 1
171 . 1 . 1 15 15 GLU CG C 13 37.360 0.000 . 1 . . . . A 15 GLU CG . 31062 1
172 . 1 . 1 15 15 GLU N N 15 115.561 0.001 . 1 . . . . A 15 GLU N . 31062 1
173 . 1 . 1 16 16 CYS H H 1 8.483 0.000 . 1 . . . . A 16 CYS H . 31062 1
174 . 1 . 1 16 16 CYS HA H 1 4.857 0.000 . 1 . . . . A 16 CYS HA . 31062 1
175 . 1 . 1 16 16 CYS HB2 H 1 2.962 0.001 . 2 . . . . A 16 CYS HB2 . 31062 1
176 . 1 . 1 16 16 CYS HB3 H 1 2.777 0.001 . 2 . . . . A 16 CYS HB3 . 31062 1
177 . 1 . 1 16 16 CYS C C 13 175.353 0.000 . 1 . . . . A 16 CYS C . 31062 1
178 . 1 . 1 16 16 CYS CA C 13 55.212 0.000 . 1 . . . . A 16 CYS CA . 31062 1
179 . 1 . 1 16 16 CYS CB C 13 39.743 0.000 . 1 . . . . A 16 CYS CB . 31062 1
180 . 1 . 1 16 16 CYS N N 15 117.484 0.000 . 1 . . . . A 16 CYS N . 31062 1
181 . 1 . 1 17 17 CYS H H 1 10.319 0.001 . 1 . . . . A 17 CYS H . 31062 1
182 . 1 . 1 17 17 CYS HA H 1 4.537 0.001 . 1 . . . . A 17 CYS HA . 31062 1
183 . 1 . 1 17 17 CYS HB2 H 1 3.460 0.002 . 2 . . . . A 17 CYS HB2 . 31062 1
184 . 1 . 1 17 17 CYS HB3 H 1 2.646 0.002 . 2 . . . . A 17 CYS HB3 . 31062 1
185 . 1 . 1 17 17 CYS C C 13 172.623 0.000 . 1 . . . . A 17 CYS C . 31062 1
186 . 1 . 1 17 17 CYS CA C 13 54.484 0.000 . 1 . . . . A 17 CYS CA . 31062 1
187 . 1 . 1 17 17 CYS CB C 13 40.123 0.009 . 1 . . . . A 17 CYS CB . 31062 1
188 . 1 . 1 17 17 CYS N N 15 122.834 0.005 . 1 . . . . A 17 CYS N . 31062 1
189 . 1 . 1 18 18 LYS H H 1 8.363 0.000 . 1 . . . . A 18 LYS H . 31062 1
190 . 1 . 1 18 18 LYS HA H 1 4.016 0.002 . 1 . . . . A 18 LYS HA . 31062 1
191 . 1 . 1 18 18 LYS HB2 H 1 1.784 0.000 . 2 . . . . A 18 LYS HB2 . 31062 1
192 . 1 . 1 18 18 LYS HB3 H 1 1.659 0.000 . 2 . . . . A 18 LYS HB3 . 31062 1
193 . 1 . 1 18 18 LYS HG2 H 1 1.456 0.000 . 2 . . . . A 18 LYS HG2 . 31062 1
194 . 1 . 1 18 18 LYS HG3 H 1 1.361 0.002 . 2 . . . . A 18 LYS HG3 . 31062 1
195 . 1 . 1 18 18 LYS HD2 H 1 1.659 0.000 . 2 . . . . A 18 LYS HD2 . 31062 1
196 . 1 . 1 18 18 LYS HD3 H 1 1.659 0.000 . 2 . . . . A 18 LYS HD3 . 31062 1
197 . 1 . 1 18 18 LYS HE2 H 1 2.955 0.000 . 2 . . . . A 18 LYS HE2 . 31062 1
198 . 1 . 1 18 18 LYS HE3 H 1 2.955 0.000 . 2 . . . . A 18 LYS HE3 . 31062 1
199 . 1 . 1 18 18 LYS C C 13 176.619 0.000 . 1 . . . . A 18 LYS C . 31062 1
200 . 1 . 1 18 18 LYS CA C 13 58.445 0.000 . 1 . . . . A 18 LYS CA . 31062 1
201 . 1 . 1 18 18 LYS CB C 13 31.989 0.000 . 1 . . . . A 18 LYS CB . 31062 1
202 . 1 . 1 18 18 LYS CG C 13 24.587 0.008 . 1 . . . . A 18 LYS CG . 31062 1
203 . 1 . 1 18 18 LYS CD C 13 29.065 0.000 . 1 . . . . A 18 LYS CD . 31062 1
204 . 1 . 1 18 18 LYS CE C 13 42.080 0.000 . 1 . . . . A 18 LYS CE . 31062 1
205 . 1 . 1 18 18 LYS N N 15 120.511 0.005 . 1 . . . . A 18 LYS N . 31062 1
206 . 1 . 1 19 19 GLY H H 1 8.595 0.000 . 1 . . . . A 19 GLY H . 31062 1
207 . 1 . 1 19 19 GLY HA2 H 1 3.994 0.000 . 2 . . . . A 19 GLY HA2 . 31062 1
208 . 1 . 1 19 19 GLY HA3 H 1 3.412 0.001 . 2 . . . . A 19 GLY HA3 . 31062 1
209 . 1 . 1 19 19 GLY C C 13 173.387 0.000 . 1 . . . . A 19 GLY C . 31062 1
210 . 1 . 1 19 19 GLY CA C 13 44.478 0.000 . 1 . . . . A 19 GLY CA . 31062 1
211 . 1 . 1 19 19 GLY N N 15 113.521 0.001 . 1 . . . . A 19 GLY N . 31062 1
212 . 1 . 1 20 20 TYR H H 1 8.109 0.000 . 1 . . . . A 20 TYR H . 31062 1
213 . 1 . 1 20 20 TYR HA H 1 5.284 0.000 . 1 . . . . A 20 TYR HA . 31062 1
214 . 1 . 1 20 20 TYR HB2 H 1 2.864 0.000 . 2 . . . . A 20 TYR HB2 . 31062 1
215 . 1 . 1 20 20 TYR HB3 H 1 3.005 0.000 . 2 . . . . A 20 TYR HB3 . 31062 1
216 . 1 . 1 20 20 TYR HD1 H 1 6.837 0.000 . 1 . . . . A 20 TYR HD1 . 31062 1
217 . 1 . 1 20 20 TYR HD2 H 1 6.837 0.000 . 1 . . . . A 20 TYR HD2 . 31062 1
218 . 1 . 1 20 20 TYR HE1 H 1 6.635 0.001 . 1 . . . . A 20 TYR HE1 . 31062 1
219 . 1 . 1 20 20 TYR HE2 H 1 6.635 0.001 . 1 . . . . A 20 TYR HE2 . 31062 1
220 . 1 . 1 20 20 TYR C C 13 174.671 0.000 . 1 . . . . A 20 TYR C . 31062 1
221 . 1 . 1 20 20 TYR CA C 13 54.887 0.000 . 1 . . . . A 20 TYR CA . 31062 1
222 . 1 . 1 20 20 TYR CB C 13 39.540 0.004 . 1 . . . . A 20 TYR CB . 31062 1
223 . 1 . 1 20 20 TYR CD1 C 13 132.831 0.000 . 1 . . . . A 20 TYR CD1 . 31062 1
224 . 1 . 1 20 20 TYR CD2 C 13 132.831 0.000 . 1 . . . . A 20 TYR CD2 . 31062 1
225 . 1 . 1 20 20 TYR CE1 C 13 118.007 0.000 . 1 . . . . A 20 TYR CE1 . 31062 1
226 . 1 . 1 20 20 TYR CE2 C 13 118.007 0.000 . 1 . . . . A 20 TYR CE2 . 31062 1
227 . 1 . 1 20 20 TYR N N 15 119.386 0.001 . 1 . . . . A 20 TYR N . 31062 1
228 . 1 . 1 21 21 VAL H H 1 8.724 0.000 . 1 . . . . A 21 VAL H . 31062 1
229 . 1 . 1 21 21 VAL HA H 1 4.596 0.000 . 1 . . . . A 21 VAL HA . 31062 1
230 . 1 . 1 21 21 VAL HB H 1 1.966 0.000 . 1 . . . . A 21 VAL HB . 31062 1
231 . 1 . 1 21 21 VAL HG11 H 1 0.804 0.000 . 2 . . . . A 21 VAL HG11 . 31062 1
232 . 1 . 1 21 21 VAL HG12 H 1 0.804 0.000 . 2 . . . . A 21 VAL HG12 . 31062 1
233 . 1 . 1 21 21 VAL HG13 H 1 0.804 0.000 . 2 . . . . A 21 VAL HG13 . 31062 1
234 . 1 . 1 21 21 VAL HG21 H 1 0.799 0.000 . 2 . . . . A 21 VAL HG21 . 31062 1
235 . 1 . 1 21 21 VAL HG22 H 1 0.799 0.000 . 2 . . . . A 21 VAL HG22 . 31062 1
236 . 1 . 1 21 21 VAL HG23 H 1 0.799 0.000 . 2 . . . . A 21 VAL HG23 . 31062 1
237 . 1 . 1 21 21 VAL C C 13 174.054 0.000 . 1 . . . . A 21 VAL C . 31062 1
238 . 1 . 1 21 21 VAL CA C 13 59.381 0.000 . 1 . . . . A 21 VAL CA . 31062 1
239 . 1 . 1 21 21 VAL CB C 13 35.466 0.000 . 1 . . . . A 21 VAL CB . 31062 1
240 . 1 . 1 21 21 VAL CG1 C 13 21.098 0.000 . 1 . . . . A 21 VAL CG1 . 31062 1
241 . 1 . 1 21 21 VAL CG2 C 13 19.784 0.000 . 1 . . . . A 21 VAL CG2 . 31062 1
242 . 1 . 1 21 21 VAL N N 15 115.264 0.001 . 1 . . . . A 21 VAL N . 31062 1
243 . 1 . 1 22 22 CYS H H 1 8.953 0.000 . 1 . . . . A 22 CYS H . 31062 1
244 . 1 . 1 22 22 CYS HA H 1 4.800 0.000 . 1 . . . . A 22 CYS HA . 31062 1
245 . 1 . 1 22 22 CYS HB2 H 1 3.230 0.000 . 2 . . . . A 22 CYS HB2 . 31062 1
246 . 1 . 1 22 22 CYS HB3 H 1 3.015 0.000 . 2 . . . . A 22 CYS HB3 . 31062 1
247 . 1 . 1 22 22 CYS C C 13 174.603 0.000 . 1 . . . . A 22 CYS C . 31062 1
248 . 1 . 1 22 22 CYS CA C 13 55.231 0.000 . 1 . . . . A 22 CYS CA . 31062 1
249 . 1 . 1 22 22 CYS CB C 13 41.065 0.000 . 1 . . . . A 22 CYS CB . 31062 1
250 . 1 . 1 22 22 CYS N N 15 124.344 0.005 . 1 . . . . A 22 CYS N . 31062 1
251 . 1 . 1 23 23 SER H H 1 8.244 0.000 . 1 . . . . A 23 SER H . 31062 1
252 . 1 . 1 23 23 SER HA H 1 4.497 0.001 . 1 . . . . A 23 SER HA . 31062 1
253 . 1 . 1 23 23 SER HB2 H 1 3.997 0.000 . 2 . . . . A 23 SER HB2 . 31062 1
254 . 1 . 1 23 23 SER HB3 H 1 3.954 0.001 . 2 . . . . A 23 SER HB3 . 31062 1
255 . 1 . 1 23 23 SER C C 13 175.703 0.000 . 1 . . . . A 23 SER C . 31062 1
256 . 1 . 1 23 23 SER CA C 13 56.884 0.007 . 1 . . . . A 23 SER CA . 31062 1
257 . 1 . 1 23 23 SER CB C 13 63.779 0.000 . 1 . . . . A 23 SER CB . 31062 1
258 . 1 . 1 23 23 SER N N 15 123.264 0.000 . 1 . . . . A 23 SER N . 31062 1
259 . 1 . 1 24 24 LYS H H 1 8.776 0.000 . 1 . . . . A 24 LYS H . 31062 1
260 . 1 . 1 24 24 LYS HA H 1 3.515 0.000 . 1 . . . . A 24 LYS HA . 31062 1
261 . 1 . 1 24 24 LYS HB2 H 1 1.386 0.001 . 2 . . . . A 24 LYS HB2 . 31062 1
262 . 1 . 1 24 24 LYS HB3 H 1 1.001 0.001 . 2 . . . . A 24 LYS HB3 . 31062 1
263 . 1 . 1 24 24 LYS HG2 H 1 0.994 0.001 . 2 . . . . A 24 LYS HG2 . 31062 1
264 . 1 . 1 24 24 LYS HG3 H 1 0.679 0.000 . 2 . . . . A 24 LYS HG3 . 31062 1
265 . 1 . 1 24 24 LYS HD2 H 1 1.204 0.001 . 2 . . . . A 24 LYS HD2 . 31062 1
266 . 1 . 1 24 24 LYS HD3 H 1 1.204 0.001 . 2 . . . . A 24 LYS HD3 . 31062 1
267 . 1 . 1 24 24 LYS HE2 H 1 2.686 0.000 . 2 . . . . A 24 LYS HE2 . 31062 1
268 . 1 . 1 24 24 LYS HE3 H 1 2.686 0.000 . 2 . . . . A 24 LYS HE3 . 31062 1
269 . 1 . 1 24 24 LYS C C 13 177.782 0.000 . 1 . . . . A 24 LYS C . 31062 1
270 . 1 . 1 24 24 LYS CA C 13 59.328 0.007 . 1 . . . . A 24 LYS CA . 31062 1
271 . 1 . 1 24 24 LYS CB C 13 32.386 0.000 . 1 . . . . A 24 LYS CB . 31062 1
272 . 1 . 1 24 24 LYS CG C 13 24.680 0.003 . 1 . . . . A 24 LYS CG . 31062 1
273 . 1 . 1 24 24 LYS CD C 13 28.985 0.000 . 1 . . . . A 24 LYS CD . 31062 1
274 . 1 . 1 24 24 LYS CE C 13 41.980 0.000 . 1 . . . . A 24 LYS CE . 31062 1
275 . 1 . 1 24 24 LYS N N 15 132.723 0.004 . 1 . . . . A 24 LYS N . 31062 1
276 . 1 . 1 25 25 ARG H H 1 8.043 0.001 . 1 . . . . A 25 ARG H . 31062 1
277 . 1 . 1 25 25 ARG HA H 1 3.871 0.000 . 1 . . . . A 25 ARG HA . 31062 1
278 . 1 . 1 25 25 ARG HB2 H 1 1.438 0.000 . 2 . . . . A 25 ARG HB2 . 31062 1
279 . 1 . 1 25 25 ARG HB3 H 1 1.661 0.001 . 2 . . . . A 25 ARG HB3 . 31062 1
280 . 1 . 1 25 25 ARG HG2 H 1 1.506 0.000 . 2 . . . . A 25 ARG HG2 . 31062 1
281 . 1 . 1 25 25 ARG HG3 H 1 1.383 0.000 . 2 . . . . A 25 ARG HG3 . 31062 1
282 . 1 . 1 25 25 ARG HD2 H 1 3.110 0.000 . 2 . . . . A 25 ARG HD2 . 31062 1
283 . 1 . 1 25 25 ARG HD3 H 1 3.054 0.000 . 2 . . . . A 25 ARG HD3 . 31062 1
284 . 1 . 1 25 25 ARG C C 13 177.260 0.000 . 1 . . . . A 25 ARG C . 31062 1
285 . 1 . 1 25 25 ARG CA C 13 58.293 0.000 . 1 . . . . A 25 ARG CA . 31062 1
286 . 1 . 1 25 25 ARG CB C 13 30.643 0.000 . 1 . . . . A 25 ARG CB . 31062 1
287 . 1 . 1 25 25 ARG CG C 13 26.899 0.000 . 1 . . . . A 25 ARG CG . 31062 1
288 . 1 . 1 25 25 ARG CD C 13 43.122 0.000 . 1 . . . . A 25 ARG CD . 31062 1
289 . 1 . 1 25 25 ARG N N 15 116.349 0.001 . 1 . . . . A 25 ARG N . 31062 1
290 . 1 . 1 26 26 ASP H H 1 7.324 0.001 . 1 . . . . A 26 ASP H . 31062 1
291 . 1 . 1 26 26 ASP HA H 1 4.160 0.000 . 1 . . . . A 26 ASP HA . 31062 1
292 . 1 . 1 26 26 ASP HB2 H 1 1.257 0.000 . 2 . . . . A 26 ASP HB2 . 31062 1
293 . 1 . 1 26 26 ASP HB3 H 1 0.818 0.000 . 2 . . . . A 26 ASP HB3 . 31062 1
294 . 1 . 1 26 26 ASP C C 13 175.954 0.000 . 1 . . . . A 26 ASP C . 31062 1
295 . 1 . 1 26 26 ASP CA C 13 54.725 0.000 . 1 . . . . A 26 ASP CA . 31062 1
296 . 1 . 1 26 26 ASP CB C 13 41.341 0.000 . 1 . . . . A 26 ASP CB . 31062 1
297 . 1 . 1 26 26 ASP N N 15 113.295 0.001 . 1 . . . . A 26 ASP N . 31062 1
298 . 1 . 1 27 27 GLY H H 1 7.908 0.000 . 1 . . . . A 27 GLY H . 31062 1
299 . 1 . 1 27 27 GLY HA2 H 1 3.946 0.000 . 2 . . . . A 27 GLY HA2 . 31062 1
300 . 1 . 1 27 27 GLY HA3 H 1 3.946 0.000 . 2 . . . . A 27 GLY HA3 . 31062 1
301 . 1 . 1 27 27 GLY C C 13 173.575 0.000 . 1 . . . . A 27 GLY C . 31062 1
302 . 1 . 1 27 27 GLY CA C 13 46.207 0.000 . 1 . . . . A 27 GLY CA . 31062 1
303 . 1 . 1 27 27 GLY N N 15 105.421 0.005 . 1 . . . . A 27 GLY N . 31062 1
304 . 1 . 1 28 28 TRP H H 1 6.705 0.000 . 1 . . . . A 28 TRP H . 31062 1
305 . 1 . 1 28 28 TRP HA H 1 5.608 0.001 . 1 . . . . A 28 TRP HA . 31062 1
306 . 1 . 1 28 28 TRP HB2 H 1 3.131 0.002 . 2 . . . . A 28 TRP HB2 . 31062 1
307 . 1 . 1 28 28 TRP HB3 H 1 2.829 0.001 . 2 . . . . A 28 TRP HB3 . 31062 1
308 . 1 . 1 28 28 TRP HD1 H 1 7.133 0.001 . 1 . . . . A 28 TRP HD1 . 31062 1
309 . 1 . 1 28 28 TRP HE1 H 1 10.326 0.001 . 1 . . . . A 28 TRP HE1 . 31062 1
310 . 1 . 1 28 28 TRP HE3 H 1 7.255 0.000 . 1 . . . . A 28 TRP HE3 . 31062 1
311 . 1 . 1 28 28 TRP HZ2 H 1 7.307 0.001 . 1 . . . . A 28 TRP HZ2 . 31062 1
312 . 1 . 1 28 28 TRP HZ3 H 1 7.108 0.000 . 1 . . . . A 28 TRP HZ3 . 31062 1
313 . 1 . 1 28 28 TRP HH2 H 1 7.101 0.001 . 1 . . . . A 28 TRP HH2 . 31062 1
314 . 1 . 1 28 28 TRP C C 13 177.099 0.000 . 1 . . . . A 28 TRP C . 31062 1
315 . 1 . 1 28 28 TRP CA C 13 53.940 0.000 . 1 . . . . A 28 TRP CA . 31062 1
316 . 1 . 1 28 28 TRP CB C 13 31.812 0.003 . 1 . . . . A 28 TRP CB . 31062 1
317 . 1 . 1 28 28 TRP CD1 C 13 125.846 0.035 . 1 . . . . A 28 TRP CD1 . 31062 1
318 . 1 . 1 28 28 TRP CE3 C 13 120.008 0.000 . 1 . . . . A 28 TRP CE3 . 31062 1
319 . 1 . 1 28 28 TRP CZ2 C 13 113.974 0.006 . 1 . . . . A 28 TRP CZ2 . 31062 1
320 . 1 . 1 28 28 TRP CZ3 C 13 120.103 0.000 . 1 . . . . A 28 TRP CZ3 . 31062 1
321 . 1 . 1 28 28 TRP CH2 C 13 124.513 0.000 . 1 . . . . A 28 TRP CH2 . 31062 1
322 . 1 . 1 28 28 TRP N N 15 112.468 0.000 . 1 . . . . A 28 TRP N . 31062 1
323 . 1 . 1 28 28 TRP NE1 N 15 128.911 0.005 . 1 . . . . A 28 TRP NE1 . 31062 1
324 . 1 . 1 29 29 CYS H H 1 8.622 0.000 . 1 . . . . A 29 CYS H . 31062 1
325 . 1 . 1 29 29 CYS HA H 1 5.127 0.000 . 1 . . . . A 29 CYS HA . 31062 1
326 . 1 . 1 29 29 CYS HB2 H 1 2.241 0.000 . 2 . . . . A 29 CYS HB2 . 31062 1
327 . 1 . 1 29 29 CYS HB3 H 1 2.104 0.000 . 2 . . . . A 29 CYS HB3 . 31062 1
328 . 1 . 1 29 29 CYS C C 13 173.496 0.000 . 1 . . . . A 29 CYS C . 31062 1
329 . 1 . 1 29 29 CYS CA C 13 55.007 0.000 . 1 . . . . A 29 CYS CA . 31062 1
330 . 1 . 1 29 29 CYS CB C 13 39.932 0.000 . 1 . . . . A 29 CYS CB . 31062 1
331 . 1 . 1 29 29 CYS N N 15 119.887 0.002 . 1 . . . . A 29 CYS N . 31062 1
332 . 1 . 1 30 30 LYS H H 1 9.410 0.000 . 1 . . . . A 30 LYS H . 31062 1
333 . 1 . 1 30 30 LYS HA H 1 4.616 0.000 . 1 . . . . A 30 LYS HA . 31062 1
334 . 1 . 1 30 30 LYS HB2 H 1 2.243 0.000 . 2 . . . . A 30 LYS HB2 . 31062 1
335 . 1 . 1 30 30 LYS HB3 H 1 2.103 0.001 . 2 . . . . A 30 LYS HB3 . 31062 1
336 . 1 . 1 30 30 LYS HG2 H 1 1.796 0.001 . 2 . . . . A 30 LYS HG2 . 31062 1
337 . 1 . 1 30 30 LYS HG3 H 1 1.739 0.003 . 2 . . . . A 30 LYS HG3 . 31062 1
338 . 1 . 1 30 30 LYS HD2 H 1 1.957 0.000 . 2 . . . . A 30 LYS HD2 . 31062 1
339 . 1 . 1 30 30 LYS HD3 H 1 1.957 0.000 . 2 . . . . A 30 LYS HD3 . 31062 1
340 . 1 . 1 30 30 LYS HE2 H 1 3.239 0.001 . 2 . . . . A 30 LYS HE2 . 31062 1
341 . 1 . 1 30 30 LYS HE3 H 1 3.146 0.000 . 2 . . . . A 30 LYS HE3 . 31062 1
342 . 1 . 1 30 30 LYS C C 13 175.737 0.000 . 1 . . . . A 30 LYS C . 31062 1
343 . 1 . 1 30 30 LYS CA C 13 59.889 0.000 . 1 . . . . A 30 LYS CA . 31062 1
344 . 1 . 1 30 30 LYS CB C 13 36.614 0.003 . 1 . . . . A 30 LYS CB . 31062 1
345 . 1 . 1 30 30 LYS CG C 13 24.847 0.000 . 1 . . . . A 30 LYS CG . 31062 1
346 . 1 . 1 30 30 LYS CD C 13 30.120 0.000 . 1 . . . . A 30 LYS CD . 31062 1
347 . 1 . 1 30 30 LYS CE C 13 42.154 0.005 . 1 . . . . A 30 LYS CE . 31062 1
348 . 1 . 1 30 30 LYS N N 15 117.823 0.002 . 1 . . . . A 30 LYS N . 31062 1
349 . 1 . 1 31 31 TYR H H 1 8.226 0.001 . 1 . . . . A 31 TYR H . 31062 1
350 . 1 . 1 31 31 TYR HA H 1 4.620 0.000 . 1 . . . . A 31 TYR HA . 31062 1
351 . 1 . 1 31 31 TYR HB2 H 1 3.129 0.001 . 2 . . . . A 31 TYR HB2 . 31062 1
352 . 1 . 1 31 31 TYR HB3 H 1 2.974 0.001 . 2 . . . . A 31 TYR HB3 . 31062 1
353 . 1 . 1 31 31 TYR HD1 H 1 7.309 0.001 . 1 . . . . A 31 TYR HD1 . 31062 1
354 . 1 . 1 31 31 TYR HD2 H 1 7.309 0.001 . 1 . . . . A 31 TYR HD2 . 31062 1
355 . 1 . 1 31 31 TYR HE1 H 1 6.798 0.002 . 1 . . . . A 31 TYR HE1 . 31062 1
356 . 1 . 1 31 31 TYR HE2 H 1 6.798 0.002 . 1 . . . . A 31 TYR HE2 . 31062 1
357 . 1 . 1 31 31 TYR C C 13 176.201 0.000 . 1 . . . . A 31 TYR C . 31062 1
358 . 1 . 1 31 31 TYR CA C 13 59.968 0.000 . 1 . . . . A 31 TYR CA . 31062 1
359 . 1 . 1 31 31 TYR CB C 13 38.737 0.000 . 1 . . . . A 31 TYR CB . 31062 1
360 . 1 . 1 31 31 TYR CD1 C 13 133.228 0.000 . 1 . . . . A 31 TYR CD1 . 31062 1
361 . 1 . 1 31 31 TYR CD2 C 13 133.228 0.000 . 1 . . . . A 31 TYR CD2 . 31062 1
362 . 1 . 1 31 31 TYR CE1 C 13 118.518 0.000 . 1 . . . . A 31 TYR CE1 . 31062 1
363 . 1 . 1 31 31 TYR CE2 C 13 118.518 0.000 . 1 . . . . A 31 TYR CE2 . 31062 1
364 . 1 . 1 31 31 TYR N N 15 118.848 0.000 . 1 . . . . A 31 TYR N . 31062 1
365 . 1 . 1 32 32 HIS H H 1 8.576 0.000 . 1 . . . . A 32 HIS H . 31062 1
366 . 1 . 1 32 32 HIS HA H 1 4.685 0.000 . 1 . . . . A 32 HIS HA . 31062 1
367 . 1 . 1 32 32 HIS HB2 H 1 3.235 0.000 . 2 . . . . A 32 HIS HB2 . 31062 1
368 . 1 . 1 32 32 HIS HB3 H 1 3.110 0.000 . 2 . . . . A 32 HIS HB3 . 31062 1
369 . 1 . 1 32 32 HIS HD2 H 1 7.525 0.000 . 1 . . . . A 32 HIS HD2 . 31062 1
370 . 1 . 1 32 32 HIS HE1 H 1 8.570 0.000 . 1 . . . . A 32 HIS HE1 . 31062 1
371 . 1 . 1 32 32 HIS CA C 13 55.480 0.000 . 1 . . . . A 32 HIS CA . 31062 1
372 . 1 . 1 32 32 HIS CB C 13 29.804 0.000 . 1 . . . . A 32 HIS CB . 31062 1
373 . 1 . 1 32 32 HIS CD2 C 13 121.496 0.000 . 1 . . . . A 32 HIS CD2 . 31062 1
374 . 1 . 1 32 32 HIS CE1 C 13 136.605 0.006 . 1 . . . . A 32 HIS CE1 . 31062 1
375 . 1 . 1 32 32 HIS N N 15 119.209 0.001 . 1 . . . . A 32 HIS N . 31062 1
376 . 1 . 1 33 33 ILE H H 1 8.163 0.000 . 1 . . . . A 33 ILE H . 31062 1
377 . 1 . 1 33 33 ILE HA H 1 4.149 0.000 . 1 . . . . A 33 ILE HA . 31062 1
378 . 1 . 1 33 33 ILE HB H 1 1.835 0.000 . 1 . . . . A 33 ILE HB . 31062 1
379 . 1 . 1 33 33 ILE HG12 H 1 1.448 0.000 . 2 . . . . A 33 ILE HG12 . 31062 1
380 . 1 . 1 33 33 ILE HG13 H 1 1.161 0.000 . 2 . . . . A 33 ILE HG13 . 31062 1
381 . 1 . 1 33 33 ILE HG21 H 1 0.921 0.000 . 1 . . . . A 33 ILE HG21 . 31062 1
382 . 1 . 1 33 33 ILE HG22 H 1 0.921 0.000 . 1 . . . . A 33 ILE HG22 . 31062 1
383 . 1 . 1 33 33 ILE HG23 H 1 0.921 0.000 . 1 . . . . A 33 ILE HG23 . 31062 1
384 . 1 . 1 33 33 ILE HD11 H 1 0.879 0.000 . 1 . . . . A 33 ILE HD11 . 31062 1
385 . 1 . 1 33 33 ILE HD12 H 1 0.879 0.000 . 1 . . . . A 33 ILE HD12 . 31062 1
386 . 1 . 1 33 33 ILE HD13 H 1 0.879 0.000 . 1 . . . . A 33 ILE HD13 . 31062 1
387 . 1 . 1 33 33 ILE C C 13 174.879 0.000 . 1 . . . . A 33 ILE C . 31062 1
388 . 1 . 1 33 33 ILE CA C 13 61.335 0.000 . 1 . . . . A 33 ILE CA . 31062 1
389 . 1 . 1 33 33 ILE CB C 13 39.202 0.000 . 1 . . . . A 33 ILE CB . 31062 1
390 . 1 . 1 33 33 ILE CG1 C 13 27.188 0.005 . 1 . . . . A 33 ILE CG1 . 31062 1
391 . 1 . 1 33 33 ILE CG2 C 13 17.472 0.000 . 1 . . . . A 33 ILE CG2 . 31062 1
392 . 1 . 1 33 33 ILE CD1 C 13 13.117 0.000 . 1 . . . . A 33 ILE CD1 . 31062 1
393 . 1 . 1 33 33 ILE N N 15 122.737 0.001 . 1 . . . . A 33 ILE N . 31062 1
394 . 1 . 1 34 34 ASN H H 1 8.099 0.000 . 1 . . . . A 34 ASN H . 31062 1
395 . 1 . 1 34 34 ASN HA H 1 4.405 0.002 . 1 . . . . A 34 ASN HA . 31062 1
396 . 1 . 1 34 34 ASN HB2 H 1 2.782 0.000 . 2 . . . . A 34 ASN HB2 . 31062 1
397 . 1 . 1 34 34 ASN HB3 H 1 2.680 0.000 . 2 . . . . A 34 ASN HB3 . 31062 1
398 . 1 . 1 34 34 ASN HD21 H 1 7.545 0.001 . 2 . . . . A 34 ASN HD21 . 31062 1
399 . 1 . 1 34 34 ASN HD22 H 1 6.843 0.000 . 2 . . . . A 34 ASN HD22 . 31062 1
400 . 1 . 1 34 34 ASN CA C 13 54.981 0.000 . 1 . . . . A 34 ASN CA . 31062 1
401 . 1 . 1 34 34 ASN CB C 13 40.035 0.000 . 1 . . . . A 34 ASN CB . 31062 1
402 . 1 . 1 34 34 ASN N N 15 126.953 0.001 . 1 . . . . A 34 ASN N . 31062 1
403 . 1 . 1 34 34 ASN ND2 N 15 112.869 0.001 . 1 . . . . A 34 ASN ND2 . 31062 1
stop_
save_