###################################
# 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 30475
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_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-1H TOCSY' . . . 30475 1
2 '2D 1H-1H NOESY' . . . 30475 1
3 '2D 1H-15N HSQC' . . . 30475 1
4 '2D 1H-1H TOCSY' . . . 30475 1
5 '2D 1H-13C HSQC' . . . 30475 1
6 '2D 1H-1H NOESY' . . . 30475 1
7 '2D 1H-1H ECOSY' . . . 30475 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 ARG HA H 1 4.134 0.003 . 1 . . . . A 1 ARG HA . 30475 1
2 . 1 1 1 1 ARG HB2 H 1 1.959 0.000 . 2 . . . . A 1 ARG HB2 . 30475 1
3 . 1 1 1 1 ARG HB3 H 1 1.959 0.000 . 2 . . . . A 1 ARG HB3 . 30475 1
4 . 1 1 1 1 ARG HG2 H 1 1.710 0.000 . 2 . . . . A 1 ARG HG2 . 30475 1
5 . 1 1 1 1 ARG HG3 H 1 1.710 0.000 . 2 . . . . A 1 ARG HG3 . 30475 1
6 . 1 1 1 1 ARG HD2 H 1 3.259 0.000 . 2 . . . . A 1 ARG HD2 . 30475 1
7 . 1 1 1 1 ARG HD3 H 1 3.259 0.000 . 2 . . . . A 1 ARG HD3 . 30475 1
8 . 1 1 1 1 ARG CA C 13 51.628 0.000 . 1 . . . . A 1 ARG CA . 30475 1
9 . 1 1 2 2 THR H H 1 8.444 0.002 . 1 . . . . A 2 THR H . 30475 1
10 . 1 1 2 2 THR HA H 1 4.719 0.006 . 1 . . . . A 2 THR HA . 30475 1
11 . 1 1 2 2 THR HB H 1 4.148 0.005 . 1 . . . . A 2 THR HB . 30475 1
12 . 1 1 2 2 THR HG21 H 1 1.156 0.003 . 1 . . . . A 2 THR HG21 . 30475 1
13 . 1 1 2 2 THR HG22 H 1 1.156 0.003 . 1 . . . . A 2 THR HG22 . 30475 1
14 . 1 1 2 2 THR HG23 H 1 1.156 0.003 . 1 . . . . A 2 THR HG23 . 30475 1
15 . 1 1 2 2 THR CA C 13 61.478 0.000 . 1 . . . . A 2 THR CA . 30475 1
16 . 1 1 2 2 THR CB C 13 70.661 0.000 . 1 . . . . A 2 THR CB . 30475 1
17 . 1 1 2 2 THR CG2 C 13 21.574 0.000 . 1 . . . . A 2 THR CG2 . 30475 1
18 . 1 1 2 2 THR N N 15 116.863 0.000 . 1 . . . . A 2 THR N . 30475 1
19 . 1 1 3 3 CYS H H 1 8.719 0.004 . 1 . . . . A 3 CYS H . 30475 1
20 . 1 1 3 3 CYS HA H 1 4.891 0.010 . 1 . . . . A 3 CYS HA . 30475 1
21 . 1 1 3 3 CYS HB2 H 1 2.693 0.004 . 2 . . . . A 3 CYS HB2 . 30475 1
22 . 1 1 3 3 CYS HB3 H 1 3.190 0.006 . 2 . . . . A 3 CYS HB3 . 30475 1
23 . 1 1 3 3 CYS CA C 13 57.978 0.000 . 1 . . . . A 3 CYS CA . 30475 1
24 . 1 1 3 3 CYS CB C 13 43.232 0.007 . 1 . . . . A 3 CYS CB . 30475 1
25 . 1 1 3 3 CYS N N 15 123.630 0.000 . 1 . . . . A 3 CYS N . 30475 1
26 . 1 1 4 4 GLN H H 1 8.341 0.001 . 1 . . . . A 4 GLN H . 30475 1
27 . 1 1 4 4 GLN HA H 1 5.445 0.005 . 1 . . . . A 4 GLN HA . 30475 1
28 . 1 1 4 4 GLN HB2 H 1 1.780 0.005 . 2 . . . . A 4 GLN HB2 . 30475 1
29 . 1 1 4 4 GLN HB3 H 1 1.980 0.003 . 2 . . . . A 4 GLN HB3 . 30475 1
30 . 1 1 4 4 GLN HG2 H 1 2.068 0.004 . 2 . . . . A 4 GLN HG2 . 30475 1
31 . 1 1 4 4 GLN HG3 H 1 2.180 0.004 . 2 . . . . A 4 GLN HG3 . 30475 1
32 . 1 1 4 4 GLN HE21 H 1 7.213 0.005 . 2 . . . . A 4 GLN HE21 . 30475 1
33 . 1 1 4 4 GLN HE22 H 1 6.193 0.012 . 2 . . . . A 4 GLN HE22 . 30475 1
34 . 1 1 4 4 GLN CA C 13 54.227 0.000 . 1 . . . . A 4 GLN CA . 30475 1
35 . 1 1 4 4 GLN CB C 13 32.326 0.000 . 1 . . . . A 4 GLN CB . 30475 1
36 . 1 1 4 4 GLN CG C 13 32.855 0.033 . 1 . . . . A 4 GLN CG . 30475 1
37 . 1 1 4 4 GLN N N 15 117.946 0.000 . 1 . . . . A 4 GLN N . 30475 1
38 . 1 1 4 4 GLN NE2 N 15 110.003 0.081 . 1 . . . . A 4 GLN NE2 . 30475 1
39 . 1 1 5 5 SER H H 1 8.736 0.002 . 1 . . . . A 5 SER H . 30475 1
40 . 1 1 5 5 SER HA H 1 4.651 0.005 . 1 . . . . A 5 SER HA . 30475 1
41 . 1 1 5 5 SER HB2 H 1 3.462 0.002 . 2 . . . . A 5 SER HB2 . 30475 1
42 . 1 1 5 5 SER HB3 H 1 3.462 0.002 . 2 . . . . A 5 SER HB3 . 30475 1
43 . 1 1 5 5 SER CA C 13 56.824 0.000 . 1 . . . . A 5 SER CA . 30475 1
44 . 1 1 5 5 SER CB C 13 65.226 0.000 . 1 . . . . A 5 SER CB . 30475 1
45 . 1 1 5 5 SER N N 15 115.749 0.000 . 1 . . . . A 5 SER N . 30475 1
46 . 1 1 6 6 GLN H H 1 9.037 0.001 . 1 . . . . A 6 GLN H . 30475 1
47 . 1 1 6 6 GLN HA H 1 3.322 0.001 . 1 . . . . A 6 GLN HA . 30475 1
48 . 1 1 6 6 GLN HB2 H 1 1.581 0.004 . 2 . . . . A 6 GLN HB2 . 30475 1
49 . 1 1 6 6 GLN HB3 H 1 1.582 0.004 . 2 . . . . A 6 GLN HB3 . 30475 1
50 . 1 1 6 6 GLN HG2 H 1 2.231 0.002 . 2 . . . . A 6 GLN HG2 . 30475 1
51 . 1 1 6 6 GLN HG3 H 1 2.231 0.002 . 2 . . . . A 6 GLN HG3 . 30475 1
52 . 1 1 6 6 GLN HE21 H 1 7.342 0.006 . 2 . . . . A 6 GLN HE21 . 30475 1
53 . 1 1 6 6 GLN HE22 H 1 6.799 0.006 . 2 . . . . A 6 GLN HE22 . 30475 1
54 . 1 1 6 6 GLN CA C 13 57.273 0.000 . 1 . . . . A 6 GLN CA . 30475 1
55 . 1 1 6 6 GLN CB C 13 27.932 0.000 . 1 . . . . A 6 GLN CB . 30475 1
56 . 1 1 6 6 GLN CG C 13 33.486 0.000 . 1 . . . . A 6 GLN CG . 30475 1
57 . 1 1 6 6 GLN N N 15 128.325 0.000 . 1 . . . . A 6 GLN N . 30475 1
58 . 1 1 6 6 GLN NE2 N 15 110.544 0.000 . 1 . . . . A 6 GLN NE2 . 30475 1
59 . 1 1 7 7 SER H H 1 8.147 0.002 . 1 . . . . A 7 SER H . 30475 1
60 . 1 1 7 7 SER HA H 1 4.376 0.006 . 1 . . . . A 7 SER HA . 30475 1
61 . 1 1 7 7 SER HB2 H 1 3.407 0.004 . 2 . . . . A 7 SER HB2 . 30475 1
62 . 1 1 7 7 SER HB3 H 1 3.989 0.002 . 2 . . . . A 7 SER HB3 . 30475 1
63 . 1 1 7 7 SER CA C 13 58.603 0.000 . 1 . . . . A 7 SER CA . 30475 1
64 . 1 1 7 7 SER CB C 13 63.780 0.008 . 1 . . . . A 7 SER CB . 30475 1
65 . 1 1 8 8 HIS H H 1 10.692 0.007 . 1 . . . . A 8 HIS H . 30475 1
66 . 1 1 8 8 HIS HA H 1 4.778 0.005 . 1 . . . . A 8 HIS HA . 30475 1
67 . 1 1 8 8 HIS HB2 H 1 3.244 0.004 . 2 . . . . A 8 HIS HB2 . 30475 1
68 . 1 1 8 8 HIS HB3 H 1 3.388 0.006 . 2 . . . . A 8 HIS HB3 . 30475 1
69 . 1 1 8 8 HIS HD2 H 1 7.432 0.001 . 1 . . . . A 8 HIS HD2 . 30475 1
70 . 1 1 8 8 HIS HE1 H 1 8.647 0.000 . 1 . . . . A 8 HIS HE1 . 30475 1
71 . 1 1 8 8 HIS CA C 13 57.110 0.000 . 1 . . . . A 8 HIS CA . 30475 1
72 . 1 1 8 8 HIS CB C 13 29.416 0.000 . 1 . . . . A 8 HIS CB . 30475 1
73 . 1 1 8 8 HIS N N 15 129.269 0.000 . 1 . . . . A 8 HIS N . 30475 1
74 . 1 1 9 9 ARG H H 1 8.515 0.002 . 1 . . . . A 9 ARG H . 30475 1
75 . 1 1 9 9 ARG HA H 1 4.328 0.004 . 1 . . . . A 9 ARG HA . 30475 1
76 . 1 1 9 9 ARG HB2 H 1 1.777 0.005 . 2 . . . . A 9 ARG HB2 . 30475 1
77 . 1 1 9 9 ARG HB3 H 1 1.778 0.005 . 2 . . . . A 9 ARG HB3 . 30475 1
78 . 1 1 9 9 ARG HG2 H 1 1.641 0.002 . 2 . . . . A 9 ARG HG2 . 30475 1
79 . 1 1 9 9 ARG HG3 H 1 1.641 0.002 . 2 . . . . A 9 ARG HG3 . 30475 1
80 . 1 1 9 9 ARG HD2 H 1 3.097 0.002 . 2 . . . . A 9 ARG HD2 . 30475 1
81 . 1 1 9 9 ARG HD3 H 1 3.187 0.002 . 2 . . . . A 9 ARG HD3 . 30475 1
82 . 1 1 9 9 ARG HE H 1 7.348 0.001 . 1 . . . . A 9 ARG HE . 30475 1
83 . 1 1 9 9 ARG CB C 13 32.045 0.000 . 1 . . . . A 9 ARG CB . 30475 1
84 . 1 1 10 10 PHE H H 1 8.298 0.001 . 1 . . . . A 10 PHE H . 30475 1
85 . 1 1 10 10 PHE HA H 1 4.013 0.004 . 1 . . . . A 10 PHE HA . 30475 1
86 . 1 1 10 10 PHE HB2 H 1 2.990 0.005 . 2 . . . . A 10 PHE HB2 . 30475 1
87 . 1 1 10 10 PHE HB3 H 1 2.990 0.005 . 2 . . . . A 10 PHE HB3 . 30475 1
88 . 1 1 10 10 PHE HD1 H 1 7.103 0.001 . 1 . . . . A 10 PHE HD1 . 30475 1
89 . 1 1 10 10 PHE HD2 H 1 7.103 0.001 . 1 . . . . A 10 PHE HD2 . 30475 1
90 . 1 1 10 10 PHE HE1 H 1 7.056 0.003 . 1 . . . . A 10 PHE HE1 . 30475 1
91 . 1 1 10 10 PHE HE2 H 1 7.056 0.003 . 1 . . . . A 10 PHE HE2 . 30475 1
92 . 1 1 10 10 PHE CA C 13 60.376 0.000 . 1 . . . . A 10 PHE CA . 30475 1
93 . 1 1 10 10 PHE CB C 13 38.937 0.000 . 1 . . . . A 10 PHE CB . 30475 1
94 . 1 1 10 10 PHE N N 15 122.036 0.000 . 1 . . . . A 10 PHE N . 30475 1
95 . 1 1 11 11 ARG H H 1 7.873 0.002 . 1 . . . . A 11 ARG H . 30475 1
96 . 1 1 11 11 ARG HA H 1 4.645 0.004 . 1 . . . . A 11 ARG HA . 30475 1
97 . 1 1 11 11 ARG HB2 H 1 1.691 0.002 . 2 . . . . A 11 ARG HB2 . 30475 1
98 . 1 1 11 11 ARG HB3 H 1 1.691 0.002 . 2 . . . . A 11 ARG HB3 . 30475 1
99 . 1 1 11 11 ARG HG2 H 1 1.575 0.001 . 2 . . . . A 11 ARG HG2 . 30475 1
100 . 1 1 11 11 ARG HG3 H 1 1.575 0.001 . 2 . . . . A 11 ARG HG3 . 30475 1
101 . 1 1 11 11 ARG HD2 H 1 3.174 0.007 . 2 . . . . A 11 ARG HD2 . 30475 1
102 . 1 1 11 11 ARG HD3 H 1 3.174 0.007 . 2 . . . . A 11 ARG HD3 . 30475 1
103 . 1 1 11 11 ARG CA C 13 54.453 0.000 . 1 . . . . A 11 ARG CA . 30475 1
104 . 1 1 11 11 ARG N N 15 128.881 0.000 . 1 . . . . A 11 ARG N . 30475 1
105 . 1 1 12 12 GLY H H 1 8.352 0.003 . 1 . . . . A 12 GLY H . 30475 1
106 . 1 1 12 12 GLY HA2 H 1 3.854 0.005 . 2 . . . . A 12 GLY HA2 . 30475 1
107 . 1 1 12 12 GLY HA3 H 1 4.220 0.003 . 2 . . . . A 12 GLY HA3 . 30475 1
108 . 1 1 12 12 GLY CA C 13 44.207 0.025 . 1 . . . . A 12 GLY CA . 30475 1
109 . 1 1 12 12 GLY N N 15 109.695 0.000 . 1 . . . . A 12 GLY N . 30475 1
110 . 1 1 13 13 PRO HA H 1 4.569 0.003 . 1 . . . . A 13 PRO HA . 30475 1
111 . 1 1 13 13 PRO HB2 H 1 1.740 0.002 . 2 . . . . A 13 PRO HB2 . 30475 1
112 . 1 1 13 13 PRO HB3 H 1 2.257 0.003 . 2 . . . . A 13 PRO HB3 . 30475 1
113 . 1 1 13 13 PRO HG2 H 1 2.098 0.007 . 2 . . . . A 13 PRO HG2 . 30475 1
114 . 1 1 13 13 PRO HG3 H 1 2.088 0.000 . 2 . . . . A 13 PRO HG3 . 30475 1
115 . 1 1 13 13 PRO HD2 H 1 3.585 0.001 . 2 . . . . A 13 PRO HD2 . 30475 1
116 . 1 1 13 13 PRO HD3 H 1 3.699 0.002 . 2 . . . . A 13 PRO HD3 . 30475 1
117 . 1 1 13 13 PRO CA C 13 63.949 0.000 . 1 . . . . A 13 PRO CA . 30475 1
118 . 1 1 13 13 PRO CB C 13 31.906 0.000 . 1 . . . . A 13 PRO CB . 30475 1
119 . 1 1 13 13 PRO CG C 13 27.434 0.000 . 1 . . . . A 13 PRO CG . 30475 1
120 . 1 1 13 13 PRO CD C 13 49.218 0.001 . 1 . . . . A 13 PRO CD . 30475 1
121 . 1 1 14 14 CYS H H 1 8.703 0.001 . 1 . . . . A 14 CYS H . 30475 1
122 . 1 1 14 14 CYS HA H 1 4.722 0.004 . 1 . . . . A 14 CYS HA . 30475 1
123 . 1 1 14 14 CYS HB2 H 1 1.854 0.008 . 2 . . . . A 14 CYS HB2 . 30475 1
124 . 1 1 14 14 CYS HB3 H 1 2.937 0.001 . 2 . . . . A 14 CYS HB3 . 30475 1
125 . 1 1 14 14 CYS CA C 13 57.464 0.000 . 1 . . . . A 14 CYS CA . 30475 1
126 . 1 1 15 15 LEU H H 1 8.524 0.003 . 1 . . . . A 15 LEU H . 30475 1
127 . 1 1 15 15 LEU HA H 1 4.560 0.003 . 1 . . . . A 15 LEU HA . 30475 1
128 . 1 1 15 15 LEU HB2 H 1 1.706 0.008 . 2 . . . . A 15 LEU HB2 . 30475 1
129 . 1 1 15 15 LEU HB3 H 1 1.817 0.003 . 2 . . . . A 15 LEU HB3 . 30475 1
130 . 1 1 15 15 LEU HG H 1 1.570 0.001 . 1 . . . . A 15 LEU HG . 30475 1
131 . 1 1 15 15 LEU HD11 H 1 0.962 0.001 . 2 . . . . A 15 LEU HD11 . 30475 1
132 . 1 1 15 15 LEU HD12 H 1 0.962 0.001 . 2 . . . . A 15 LEU HD12 . 30475 1
133 . 1 1 15 15 LEU HD13 H 1 0.962 0.001 . 2 . . . . A 15 LEU HD13 . 30475 1
134 . 1 1 15 15 LEU HD21 H 1 0.870 0.001 . 2 . . . . A 15 LEU HD21 . 30475 1
135 . 1 1 15 15 LEU HD22 H 1 0.870 0.001 . 2 . . . . A 15 LEU HD22 . 30475 1
136 . 1 1 15 15 LEU HD23 H 1 0.870 0.001 . 2 . . . . A 15 LEU HD23 . 30475 1
137 . 1 1 15 15 LEU CA C 13 54.756 0.000 . 1 . . . . A 15 LEU CA . 30475 1
138 . 1 1 15 15 LEU CB C 13 43.601 0.016 . 1 . . . . A 15 LEU CB . 30475 1
139 . 1 1 15 15 LEU CD1 C 13 25.110 0.000 . 2 . . . . A 15 LEU CD1 . 30475 1
140 . 1 1 15 15 LEU CD2 C 13 22.752 0.000 . 2 . . . . A 15 LEU CD2 . 30475 1
141 . 1 1 16 16 ARG H H 1 8.111 0.002 . 1 . . . . A 16 ARG H . 30475 1
142 . 1 1 16 16 ARG HA H 1 4.420 0.002 . 1 . . . . A 16 ARG HA . 30475 1
143 . 1 1 16 16 ARG HB2 H 1 1.897 0.002 . 2 . . . . A 16 ARG HB2 . 30475 1
144 . 1 1 16 16 ARG HB3 H 1 1.897 0.003 . 2 . . . . A 16 ARG HB3 . 30475 1
145 . 1 1 16 16 ARG HG2 H 1 1.699 0.005 . 2 . . . . A 16 ARG HG2 . 30475 1
146 . 1 1 16 16 ARG HG3 H 1 1.700 0.004 . 2 . . . . A 16 ARG HG3 . 30475 1
147 . 1 1 16 16 ARG HD2 H 1 3.259 0.002 . 2 . . . . A 16 ARG HD2 . 30475 1
148 . 1 1 16 16 ARG HD3 H 1 3.259 0.002 . 2 . . . . A 16 ARG HD3 . 30475 1
149 . 1 1 16 16 ARG CA C 13 57.639 0.000 . 1 . . . . A 16 ARG CA . 30475 1
150 . 1 1 16 16 ARG CB C 13 31.546 0.000 . 1 . . . . A 16 ARG CB . 30475 1
151 . 1 1 18 18 SER H H 1 8.572 0.005 . 1 . . . . A 18 SER H . 30475 1
152 . 1 1 18 18 SER HA H 1 4.350 0.007 . 1 . . . . A 18 SER HA . 30475 1
153 . 1 1 18 18 SER HB2 H 1 4.081 0.009 . 2 . . . . A 18 SER HB2 . 30475 1
154 . 1 1 18 18 SER HB3 H 1 4.081 0.009 . 2 . . . . A 18 SER HB3 . 30475 1
155 . 1 1 18 18 SER CA C 13 60.488 0.000 . 1 . . . . A 18 SER CA . 30475 1
156 . 1 1 18 18 SER CB C 13 62.996 0.000 . 1 . . . . A 18 SER CB . 30475 1
157 . 1 1 19 19 ASN HA H 1 4.902 0.008 . 1 . . . . A 19 ASN HA . 30475 1
158 . 1 1 19 19 ASN HB2 H 1 3.078 0.005 . 2 . . . . A 19 ASN HB2 . 30475 1
159 . 1 1 19 19 ASN HB3 H 1 3.189 0.001 . 2 . . . . A 19 ASN HB3 . 30475 1
160 . 1 1 19 19 ASN HD21 H 1 7.685 0.002 . 2 . . . . A 19 ASN HD21 . 30475 1
161 . 1 1 19 19 ASN HD22 H 1 7.093 0.006 . 2 . . . . A 19 ASN HD22 . 30475 1
162 . 1 1 19 19 ASN CA C 13 54.725 0.000 . 1 . . . . A 19 ASN CA . 30475 1
163 . 1 1 19 19 ASN CB C 13 38.294 0.000 . 1 . . . . A 19 ASN CB . 30475 1
164 . 1 1 19 19 ASN ND2 N 15 111.335 0.042 . 1 . . . . A 19 ASN ND2 . 30475 1
165 . 1 1 20 20 CYS H H 1 7.464 0.001 . 1 . . . . A 20 CYS H . 30475 1
166 . 1 1 20 20 CYS HA H 1 4.414 0.001 . 1 . . . . A 20 CYS HA . 30475 1
167 . 1 1 20 20 CYS HB2 H 1 2.325 0.006 . 2 . . . . A 20 CYS HB2 . 30475 1
168 . 1 1 20 20 CYS HB3 H 1 2.849 0.004 . 2 . . . . A 20 CYS HB3 . 30475 1
169 . 1 1 20 20 CYS CB C 13 35.955 0.019 . 1 . . . . A 20 CYS CB . 30475 1
170 . 1 1 21 21 ALA H H 1 8.800 0.001 . 1 . . . . A 21 ALA H . 30475 1
171 . 1 1 21 21 ALA HA H 1 3.636 0.001 . 1 . . . . A 21 ALA HA . 30475 1
172 . 1 1 21 21 ALA HB1 H 1 1.565 0.001 . 1 . . . . A 21 ALA HB1 . 30475 1
173 . 1 1 21 21 ALA HB2 H 1 1.565 0.001 . 1 . . . . A 21 ALA HB2 . 30475 1
174 . 1 1 21 21 ALA HB3 H 1 1.565 0.001 . 1 . . . . A 21 ALA HB3 . 30475 1
175 . 1 1 21 21 ALA CA C 13 56.209 0.000 . 1 . . . . A 21 ALA CA . 30475 1
176 . 1 1 21 21 ALA CB C 13 17.796 0.000 . 1 . . . . A 21 ALA CB . 30475 1
177 . 1 1 21 21 ALA N N 15 121.111 0.000 . 1 . . . . A 21 ALA N . 30475 1
178 . 1 1 22 22 ASN H H 1 8.009 0.001 . 1 . . . . A 22 ASN H . 30475 1
179 . 1 1 22 22 ASN HA H 1 4.447 0.007 . 1 . . . . A 22 ASN HA . 30475 1
180 . 1 1 22 22 ASN HB2 H 1 2.962 0.012 . 2 . . . . A 22 ASN HB2 . 30475 1
181 . 1 1 22 22 ASN HB3 H 1 2.981 0.010 . 2 . . . . A 22 ASN HB3 . 30475 1
182 . 1 1 22 22 ASN HD21 H 1 7.698 0.005 . 2 . . . . A 22 ASN HD21 . 30475 1
183 . 1 1 22 22 ASN HD22 H 1 7.038 0.006 . 2 . . . . A 22 ASN HD22 . 30475 1
184 . 1 1 22 22 ASN CB C 13 38.031 0.002 . 1 . . . . A 22 ASN CB . 30475 1
185 . 1 1 22 22 ASN ND2 N 15 112.414 0.000 . 1 . . . . A 22 ASN ND2 . 30475 1
186 . 1 1 23 23 VAL H H 1 8.166 0.003 . 1 . . . . A 23 VAL H . 30475 1
187 . 1 1 23 23 VAL HA H 1 3.827 0.001 . 1 . . . . A 23 VAL HA . 30475 1
188 . 1 1 23 23 VAL HB H 1 2.399 0.004 . 1 . . . . A 23 VAL HB . 30475 1
189 . 1 1 23 23 VAL HG11 H 1 1.258 0.001 . 2 . . . . A 23 VAL HG11 . 30475 1
190 . 1 1 23 23 VAL HG12 H 1 1.258 0.001 . 2 . . . . A 23 VAL HG12 . 30475 1
191 . 1 1 23 23 VAL HG13 H 1 1.258 0.001 . 2 . . . . A 23 VAL HG13 . 30475 1
192 . 1 1 23 23 VAL HG21 H 1 1.081 0.002 . 2 . . . . A 23 VAL HG21 . 30475 1
193 . 1 1 23 23 VAL HG22 H 1 1.081 0.002 . 2 . . . . A 23 VAL HG22 . 30475 1
194 . 1 1 23 23 VAL HG23 H 1 1.081 0.002 . 2 . . . . A 23 VAL HG23 . 30475 1
195 . 1 1 23 23 VAL CA C 13 67.030 0.000 . 1 . . . . A 23 VAL CA . 30475 1
196 . 1 1 23 23 VAL CB C 13 31.868 0.000 . 1 . . . . A 23 VAL CB . 30475 1
197 . 1 1 23 23 VAL CG1 C 13 23.439 0.000 . 2 . . . . A 23 VAL CG1 . 30475 1
198 . 1 1 23 23 VAL CG2 C 13 22.430 0.000 . 2 . . . . A 23 VAL CG2 . 30475 1
199 . 1 1 23 23 VAL N N 15 122.266 0.000 . 1 . . . . A 23 VAL N . 30475 1
200 . 1 1 24 24 CYS H H 1 9.015 0.000 . 1 . . . . A 24 CYS H . 30475 1
201 . 1 1 24 24 CYS HA H 1 4.680 0.005 . 1 . . . . A 24 CYS HA . 30475 1
202 . 1 1 24 24 CYS HB2 H 1 2.753 0.006 . 2 . . . . A 24 CYS HB2 . 30475 1
203 . 1 1 24 24 CYS HB3 H 1 2.854 0.003 . 2 . . . . A 24 CYS HB3 . 30475 1
204 . 1 1 24 24 CYS CB C 13 38.291 0.004 . 1 . . . . A 24 CYS CB . 30475 1
205 . 1 1 24 24 CYS N N 15 120.538 0.000 . 1 . . . . A 24 CYS N . 30475 1
206 . 1 1 25 25 ARG H H 1 8.263 0.001 . 1 . . . . A 25 ARG H . 30475 1
207 . 1 1 25 25 ARG HA H 1 5.185 0.002 . 1 . . . . A 25 ARG HA . 30475 1
208 . 1 1 25 25 ARG HB2 H 1 2.024 0.003 . 2 . . . . A 25 ARG HB2 . 30475 1
209 . 1 1 25 25 ARG HB3 H 1 2.113 0.004 . 2 . . . . A 25 ARG HB3 . 30475 1
210 . 1 1 25 25 ARG HG2 H 1 1.832 0.002 . 2 . . . . A 25 ARG HG2 . 30475 1
211 . 1 1 25 25 ARG HG3 H 1 1.832 0.002 . 2 . . . . A 25 ARG HG3 . 30475 1
212 . 1 1 25 25 ARG HD2 H 1 3.288 0.001 . 2 . . . . A 25 ARG HD2 . 30475 1
213 . 1 1 25 25 ARG HD3 H 1 3.290 0.003 . 2 . . . . A 25 ARG HD3 . 30475 1
214 . 1 1 25 25 ARG HE H 1 7.274 0.003 . 1 . . . . A 25 ARG HE . 30475 1
215 . 1 1 25 25 ARG CA C 13 59.342 0.000 . 1 . . . . A 25 ARG CA . 30475 1
216 . 1 1 25 25 ARG CB C 13 29.763 0.024 . 1 . . . . A 25 ARG CB . 30475 1
217 . 1 1 25 25 ARG CG C 13 28.385 0.000 . 1 . . . . A 25 ARG CG . 30475 1
218 . 1 1 25 25 ARG N N 15 121.569 0.000 . 1 . . . . A 25 ARG N . 30475 1
219 . 1 1 26 26 THR H H 1 8.104 0.004 . 1 . . . . A 26 THR H . 30475 1
220 . 1 1 26 26 THR HA H 1 4.361 0.001 . 1 . . . . A 26 THR HA . 30475 1
221 . 1 1 26 26 THR HB H 1 4.463 0.003 . 1 . . . . A 26 THR HB . 30475 1
222 . 1 1 26 26 THR HG21 H 1 1.464 0.001 . 1 . . . . A 26 THR HG21 . 30475 1
223 . 1 1 26 26 THR HG22 H 1 1.464 0.001 . 1 . . . . A 26 THR HG22 . 30475 1
224 . 1 1 26 26 THR HG23 H 1 1.464 0.001 . 1 . . . . A 26 THR HG23 . 30475 1
225 . 1 1 26 26 THR CA C 13 65.232 0.000 . 1 . . . . A 26 THR CA . 30475 1
226 . 1 1 26 26 THR CB C 13 69.071 0.000 . 1 . . . . A 26 THR CB . 30475 1
227 . 1 1 26 26 THR CG2 C 13 21.904 0.000 . 1 . . . . A 26 THR CG2 . 30475 1
228 . 1 1 26 26 THR N N 15 115.545 0.000 . 1 . . . . A 26 THR N . 30475 1
229 . 1 1 27 27 GLU H H 1 7.694 0.003 . 1 . . . . A 27 GLU H . 30475 1
230 . 1 1 27 27 GLU HA H 1 4.315 0.003 . 1 . . . . A 27 GLU HA . 30475 1
231 . 1 1 27 27 GLU HB2 H 1 2.241 0.001 . 2 . . . . A 27 GLU HB2 . 30475 1
232 . 1 1 27 27 GLU HB3 H 1 2.238 0.003 . 2 . . . . A 27 GLU HB3 . 30475 1
233 . 1 1 27 27 GLU HG2 H 1 2.619 0.001 . 2 . . . . A 27 GLU HG2 . 30475 1
234 . 1 1 27 27 GLU HG3 H 1 2.618 0.005 . 2 . . . . A 27 GLU HG3 . 30475 1
235 . 1 1 27 27 GLU CA C 13 56.806 0.000 . 1 . . . . A 27 GLU CA . 30475 1
236 . 1 1 27 27 GLU N N 15 120.554 0.000 . 1 . . . . A 27 GLU N . 30475 1
237 . 1 1 28 28 GLY H H 1 7.741 0.005 . 1 . . . . A 28 GLY H . 30475 1
238 . 1 1 28 28 GLY HA2 H 1 3.661 0.003 . 2 . . . . A 28 GLY HA2 . 30475 1
239 . 1 1 28 28 GLY HA3 H 1 4.070 0.007 . 2 . . . . A 28 GLY HA3 . 30475 1
240 . 1 1 28 28 GLY CA C 13 44.878 0.000 . 1 . . . . A 28 GLY CA . 30475 1
241 . 1 1 28 28 GLY N N 15 105.581 0.000 . 1 . . . . A 28 GLY N . 30475 1
242 . 1 1 29 29 PHE H H 1 8.109 0.003 . 1 . . . . A 29 PHE H . 30475 1
243 . 1 1 29 29 PHE HA H 1 5.123 0.003 . 1 . . . . A 29 PHE HA . 30475 1
244 . 1 1 29 29 PHE HB2 H 1 2.575 0.005 . 2 . . . . A 29 PHE HB2 . 30475 1
245 . 1 1 29 29 PHE HB3 H 1 3.923 0.005 . 2 . . . . A 29 PHE HB3 . 30475 1
246 . 1 1 29 29 PHE HD1 H 1 7.442 0.009 . 1 . . . . A 29 PHE HD1 . 30475 1
247 . 1 1 29 29 PHE HD2 H 1 7.442 0.009 . 1 . . . . A 29 PHE HD2 . 30475 1
248 . 1 1 29 29 PHE HE1 H 1 7.341 0.004 . 1 . . . . A 29 PHE HE1 . 30475 1
249 . 1 1 29 29 PHE HE2 H 1 7.341 0.004 . 1 . . . . A 29 PHE HE2 . 30475 1
250 . 1 1 29 29 PHE CA C 13 55.820 0.000 . 1 . . . . A 29 PHE CA . 30475 1
251 . 1 1 29 29 PHE CB C 13 40.088 0.016 . 1 . . . . A 29 PHE CB . 30475 1
252 . 1 1 29 29 PHE N N 15 120.800 0.000 . 1 . . . . A 29 PHE N . 30475 1
253 . 1 1 30 30 PRO HA H 1 4.566 0.002 . 1 . . . . A 30 PRO HA . 30475 1
254 . 1 1 30 30 PRO HB2 H 1 2.076 0.005 . 2 . . . . A 30 PRO HB2 . 30475 1
255 . 1 1 30 30 PRO HB3 H 1 2.336 0.002 . 2 . . . . A 30 PRO HB3 . 30475 1
256 . 1 1 30 30 PRO HG2 H 1 1.943 0.001 . 2 . . . . A 30 PRO HG2 . 30475 1
257 . 1 1 30 30 PRO HG3 H 1 2.078 0.003 . 2 . . . . A 30 PRO HG3 . 30475 1
258 . 1 1 30 30 PRO HD2 H 1 3.887 0.003 . 2 . . . . A 30 PRO HD2 . 30475 1
259 . 1 1 30 30 PRO HD3 H 1 4.570 0.002 . 2 . . . . A 30 PRO HD3 . 30475 1
260 . 1 1 30 30 PRO CA C 13 62.904 0.000 . 1 . . . . A 30 PRO CA . 30475 1
261 . 1 1 30 30 PRO CB C 13 31.891 0.019 . 1 . . . . A 30 PRO CB . 30475 1
262 . 1 1 30 30 PRO CG C 13 27.547 0.000 . 1 . . . . A 30 PRO CG . 30475 1
263 . 1 1 30 30 PRO CD C 13 50.431 0.024 . 1 . . . . A 30 PRO CD . 30475 1
264 . 1 1 31 31 GLY H H 1 7.219 0.004 . 1 . . . . A 31 GLY H . 30475 1
265 . 1 1 31 31 GLY HA2 H 1 3.976 0.004 . 2 . . . . A 31 GLY HA2 . 30475 1
266 . 1 1 31 31 GLY HA3 H 1 4.300 0.002 . 2 . . . . A 31 GLY HA3 . 30475 1
267 . 1 1 31 31 GLY CA C 13 44.846 0.009 . 1 . . . . A 31 GLY CA . 30475 1
268 . 1 1 31 31 GLY N N 15 103.243 0.000 . 1 . . . . A 31 GLY N . 30475 1
269 . 1 1 32 32 GLY H H 1 7.705 0.003 . 1 . . . . A 32 GLY H . 30475 1
270 . 1 1 32 32 GLY HA2 H 1 4.389 0.004 . 2 . . . . A 32 GLY HA2 . 30475 1
271 . 1 1 32 32 GLY HA3 H 1 4.606 0.005 . 2 . . . . A 32 GLY HA3 . 30475 1
272 . 1 1 32 32 GLY CA C 13 46.878 0.015 . 1 . . . . A 32 GLY CA . 30475 1
273 . 1 1 32 32 GLY N N 15 105.971 0.000 . 1 . . . . A 32 GLY N . 30475 1
274 . 1 1 33 33 ARG H H 1 8.936 0.002 . 1 . . . . A 33 ARG H . 30475 1
275 . 1 1 33 33 ARG HA H 1 4.490 0.005 . 1 . . . . A 33 ARG HA . 30475 1
276 . 1 1 33 33 ARG HB2 H 1 1.750 0.002 . 2 . . . . A 33 ARG HB2 . 30475 1
277 . 1 1 33 33 ARG HB3 H 1 1.897 0.006 . 2 . . . . A 33 ARG HB3 . 30475 1
278 . 1 1 33 33 ARG HG2 H 1 1.368 0.002 . 2 . . . . A 33 ARG HG2 . 30475 1
279 . 1 1 33 33 ARG HG3 H 1 1.606 0.000 . 2 . . . . A 33 ARG HG3 . 30475 1
280 . 1 1 33 33 ARG HD2 H 1 3.087 0.001 . 2 . . . . A 33 ARG HD2 . 30475 1
281 . 1 1 33 33 ARG HD3 H 1 3.087 0.001 . 2 . . . . A 33 ARG HD3 . 30475 1
282 . 1 1 33 33 ARG HE H 1 7.085 0.001 . 1 . . . . A 33 ARG HE . 30475 1
283 . 1 1 33 33 ARG CA C 13 55.047 0.000 . 1 . . . . A 33 ARG CA . 30475 1
284 . 1 1 33 33 ARG CB C 13 33.354 0.000 . 1 . . . . A 33 ARG CB . 30475 1
285 . 1 1 33 33 ARG CG C 13 25.743 0.021 . 1 . . . . A 33 ARG CG . 30475 1
286 . 1 1 33 33 ARG CD C 13 43.568 0.000 . 1 . . . . A 33 ARG CD . 30475 1
287 . 1 1 33 33 ARG N N 15 115.828 0.000 . 1 . . . . A 33 ARG N . 30475 1
288 . 1 1 34 34 CYS H H 1 8.437 0.003 . 1 . . . . A 34 CYS H . 30475 1
289 . 1 1 34 34 CYS HA H 1 5.497 0.005 . 1 . . . . A 34 CYS HA . 30475 1
290 . 1 1 34 34 CYS HB2 H 1 2.638 0.003 . 2 . . . . A 34 CYS HB2 . 30475 1
291 . 1 1 34 34 CYS HB3 H 1 2.820 0.006 . 2 . . . . A 34 CYS HB3 . 30475 1
292 . 1 1 34 34 CYS CA C 13 52.179 0.000 . 1 . . . . A 34 CYS CA . 30475 1
293 . 1 1 34 34 CYS CB C 13 36.644 0.048 . 1 . . . . A 34 CYS CB . 30475 1
294 . 1 1 34 34 CYS N N 15 120.287 0.000 . 1 . . . . A 34 CYS N . 30475 1
295 . 1 1 35 35 ARG H H 1 9.490 0.003 . 1 . . . . A 35 ARG H . 30475 1
296 . 1 1 35 35 ARG HA H 1 4.666 0.004 . 1 . . . . A 35 ARG HA . 30475 1
297 . 1 1 35 35 ARG HB2 H 1 1.545 0.003 . 2 . . . . A 35 ARG HB2 . 30475 1
298 . 1 1 35 35 ARG HB3 H 1 1.715 0.001 . 2 . . . . A 35 ARG HB3 . 30475 1
299 . 1 1 35 35 ARG HG2 H 1 1.394 0.005 . 2 . . . . A 35 ARG HG2 . 30475 1
300 . 1 1 35 35 ARG HG3 H 1 1.396 0.004 . 2 . . . . A 35 ARG HG3 . 30475 1
301 . 1 1 35 35 ARG HD2 H 1 2.531 0.005 . 2 . . . . A 35 ARG HD2 . 30475 1
302 . 1 1 35 35 ARG HD3 H 1 2.726 0.006 . 2 . . . . A 35 ARG HD3 . 30475 1
303 . 1 1 35 35 ARG HE H 1 6.962 0.001 . 1 . . . . A 35 ARG HE . 30475 1
304 . 1 1 35 35 ARG CA C 13 55.886 0.000 . 1 . . . . A 35 ARG CA . 30475 1
305 . 1 1 35 35 ARG CB C 13 34.716 0.006 . 1 . . . . A 35 ARG CB . 30475 1
306 . 1 1 35 35 ARG CG C 13 26.784 0.000 . 1 . . . . A 35 ARG CG . 30475 1
307 . 1 1 35 35 ARG CD C 13 43.045 0.018 . 1 . . . . A 35 ARG CD . 30475 1
308 . 1 1 35 35 ARG N N 15 122.465 0.000 . 1 . . . . A 35 ARG N . 30475 1
309 . 1 1 36 36 GLY H H 1 8.418 0.003 . 1 . . . . A 36 GLY H . 30475 1
310 . 1 1 36 36 GLY HA2 H 1 3.846 0.002 . 2 . . . . A 36 GLY HA2 . 30475 1
311 . 1 1 36 36 GLY HA3 H 1 4.407 0.001 . 2 . . . . A 36 GLY HA3 . 30475 1
312 . 1 1 36 36 GLY CA C 13 44.631 0.000 . 1 . . . . A 36 GLY CA . 30475 1
313 . 1 1 36 36 GLY N N 15 108.974 0.000 . 1 . . . . A 36 GLY N . 30475 1
314 . 1 1 37 37 PHE H H 1 8.567 0.001 . 1 . . . . A 37 PHE H . 30475 1
315 . 1 1 37 37 PHE HA H 1 4.452 0.005 . 1 . . . . A 37 PHE HA . 30475 1
316 . 1 1 37 37 PHE HB2 H 1 3.080 0.004 . 2 . . . . A 37 PHE HB2 . 30475 1
317 . 1 1 37 37 PHE HB3 H 1 3.263 0.002 . 2 . . . . A 37 PHE HB3 . 30475 1
318 . 1 1 37 37 PHE HD1 H 1 7.294 0.003 . 1 . . . . A 37 PHE HD1 . 30475 1
319 . 1 1 37 37 PHE HD2 H 1 7.294 0.003 . 1 . . . . A 37 PHE HD2 . 30475 1
320 . 1 1 37 37 PHE HE1 H 1 7.383 0.001 . 1 . . . . A 37 PHE HE1 . 30475 1
321 . 1 1 37 37 PHE HE2 H 1 7.383 0.001 . 1 . . . . A 37 PHE HE2 . 30475 1
322 . 1 1 37 37 PHE CB C 13 38.544 0.044 . 1 . . . . A 37 PHE CB . 30475 1
323 . 1 1 37 37 PHE N N 15 121.835 0.000 . 1 . . . . A 37 PHE N . 30475 1
324 . 1 1 38 38 ARG H H 1 8.244 0.001 . 1 . . . . A 38 ARG H . 30475 1
325 . 1 1 38 38 ARG HA H 1 4.174 0.004 . 1 . . . . A 38 ARG HA . 30475 1
326 . 1 1 38 38 ARG HB2 H 1 1.691 0.001 . 2 . . . . A 38 ARG HB2 . 30475 1
327 . 1 1 38 38 ARG HB3 H 1 1.898 0.003 . 2 . . . . A 38 ARG HB3 . 30475 1
328 . 1 1 38 38 ARG HG2 H 1 1.469 0.004 . 2 . . . . A 38 ARG HG2 . 30475 1
329 . 1 1 38 38 ARG HG3 H 1 1.469 0.004 . 2 . . . . A 38 ARG HG3 . 30475 1
330 . 1 1 38 38 ARG HD2 H 1 3.110 0.005 . 2 . . . . A 38 ARG HD2 . 30475 1
331 . 1 1 38 38 ARG HD3 H 1 3.110 0.005 . 2 . . . . A 38 ARG HD3 . 30475 1
332 . 1 1 38 38 ARG HE H 1 7.237 0.003 . 1 . . . . A 38 ARG HE . 30475 1
333 . 1 1 38 38 ARG CA C 13 55.798 0.000 . 1 . . . . A 38 ARG CA . 30475 1
334 . 1 1 38 38 ARG CB C 13 28.885 0.022 . 1 . . . . A 38 ARG CB . 30475 1
335 . 1 1 38 38 ARG CG C 13 27.504 0.000 . 1 . . . . A 38 ARG CG . 30475 1
336 . 1 1 38 38 ARG CD C 13 43.098 0.000 . 1 . . . . A 38 ARG CD . 30475 1
337 . 1 1 38 38 ARG N N 15 117.168 0.000 . 1 . . . . A 38 ARG N . 30475 1
338 . 1 1 39 39 ARG H H 1 8.003 0.003 . 1 . . . . A 39 ARG H . 30475 1
339 . 1 1 39 39 ARG HA H 1 3.780 0.001 . 1 . . . . A 39 ARG HA . 30475 1
340 . 1 1 39 39 ARG HB2 H 1 1.793 0.003 . 2 . . . . A 39 ARG HB2 . 30475 1
341 . 1 1 39 39 ARG HB3 H 1 2.145 0.003 . 2 . . . . A 39 ARG HB3 . 30475 1
342 . 1 1 39 39 ARG HG2 H 1 1.624 0.001 . 2 . . . . A 39 ARG HG2 . 30475 1
343 . 1 1 39 39 ARG HG3 H 1 1.624 0.001 . 2 . . . . A 39 ARG HG3 . 30475 1
344 . 1 1 39 39 ARG HD2 H 1 3.095 0.003 . 2 . . . . A 39 ARG HD2 . 30475 1
345 . 1 1 39 39 ARG HD3 H 1 3.203 0.001 . 2 . . . . A 39 ARG HD3 . 30475 1
346 . 1 1 39 39 ARG HE H 1 7.134 0.002 . 1 . . . . A 39 ARG HE . 30475 1
347 . 1 1 39 39 ARG CA C 13 56.945 0.000 . 1 . . . . A 39 ARG CA . 30475 1
348 . 1 1 39 39 ARG CB C 13 27.952 0.016 . 1 . . . . A 39 ARG CB . 30475 1
349 . 1 1 39 39 ARG N N 15 117.425 0.000 . 1 . . . . A 39 ARG N . 30475 1
350 . 1 1 40 40 ARG HA H 1 4.593 0.002 . 1 . . . . A 40 ARG HA . 30475 1
351 . 1 1 40 40 ARG HB2 H 1 1.578 0.003 . 2 . . . . A 40 ARG HB2 . 30475 1
352 . 1 1 40 40 ARG HB3 H 1 1.753 0.000 . 2 . . . . A 40 ARG HB3 . 30475 1
353 . 1 1 40 40 ARG HG2 H 1 1.579 0.002 . 2 . . . . A 40 ARG HG2 . 30475 1
354 . 1 1 40 40 ARG HG3 H 1 1.578 0.000 . 2 . . . . A 40 ARG HG3 . 30475 1
355 . 1 1 40 40 ARG CA C 13 54.065 0.000 . 1 . . . . A 40 ARG CA . 30475 1
356 . 1 1 40 40 ARG CB C 13 33.489 0.018 . 1 . . . . A 40 ARG CB . 30475 1
357 . 1 1 40 40 ARG CG C 13 27.245 0.000 . 1 . . . . A 40 ARG CG . 30475 1
358 . 1 1 41 41 CYS H H 1 9.344 0.002 . 1 . . . . A 41 CYS H . 30475 1
359 . 1 1 41 41 CYS HA H 1 4.678 0.004 . 1 . . . . A 41 CYS HA . 30475 1
360 . 1 1 41 41 CYS HB2 H 1 1.441 0.004 . 2 . . . . A 41 CYS HB2 . 30475 1
361 . 1 1 41 41 CYS HB3 H 1 1.971 0.002 . 2 . . . . A 41 CYS HB3 . 30475 1
362 . 1 1 41 41 CYS CA C 13 60.137 0.000 . 1 . . . . A 41 CYS CA . 30475 1
363 . 1 1 41 41 CYS CB C 13 35.741 0.036 . 1 . . . . A 41 CYS CB . 30475 1
364 . 1 1 41 41 CYS N N 15 120.385 0.000 . 1 . . . . A 41 CYS N . 30475 1
365 . 1 1 42 42 PHE H H 1 8.827 0.002 . 1 . . . . A 42 PHE H . 30475 1
366 . 1 1 42 42 PHE HA H 1 4.522 0.002 . 1 . . . . A 42 PHE HA . 30475 1
367 . 1 1 42 42 PHE HB2 H 1 2.488 0.006 . 2 . . . . A 42 PHE HB2 . 30475 1
368 . 1 1 42 42 PHE HB3 H 1 2.801 0.003 . 2 . . . . A 42 PHE HB3 . 30475 1
369 . 1 1 42 42 PHE HD1 H 1 6.853 0.002 . 1 . . . . A 42 PHE HD1 . 30475 1
370 . 1 1 42 42 PHE HD2 H 1 6.853 0.002 . 1 . . . . A 42 PHE HD2 . 30475 1
371 . 1 1 42 42 PHE HE1 H 1 7.273 0.001 . 1 . . . . A 42 PHE HE1 . 30475 1
372 . 1 1 42 42 PHE HE2 H 1 7.273 0.001 . 1 . . . . A 42 PHE HE2 . 30475 1
373 . 1 1 42 42 PHE CA C 13 57.013 0.000 . 1 . . . . A 42 PHE CA . 30475 1
374 . 1 1 42 42 PHE CB C 13 41.594 0.033 . 1 . . . . A 42 PHE CB . 30475 1
375 . 1 1 42 42 PHE N N 15 129.599 0.000 . 1 . . . . A 42 PHE N . 30475 1
376 . 1 1 43 43 CYS H H 1 8.923 0.005 . 1 . . . . A 43 CYS H . 30475 1
377 . 1 1 43 43 CYS HA H 1 5.277 0.003 . 1 . . . . A 43 CYS HA . 30475 1
378 . 1 1 43 43 CYS HB2 H 1 1.559 0.005 . 2 . . . . A 43 CYS HB2 . 30475 1
379 . 1 1 43 43 CYS HB3 H 1 2.563 0.004 . 2 . . . . A 43 CYS HB3 . 30475 1
380 . 1 1 43 43 CYS CA C 13 51.687 0.000 . 1 . . . . A 43 CYS CA . 30475 1
381 . 1 1 43 43 CYS CB C 13 35.799 0.020 . 1 . . . . A 43 CYS CB . 30475 1
382 . 1 1 43 43 CYS N N 15 122.497 0.000 . 1 . . . . A 43 CYS N . 30475 1
383 . 1 1 44 44 THR H H 1 8.350 0.002 . 1 . . . . A 44 THR H . 30475 1
384 . 1 1 44 44 THR HA H 1 4.556 0.003 . 1 . . . . A 44 THR HA . 30475 1
385 . 1 1 44 44 THR HB H 1 3.819 0.006 . 1 . . . . A 44 THR HB . 30475 1
386 . 1 1 44 44 THR HG21 H 1 1.164 0.005 . 1 . . . . A 44 THR HG21 . 30475 1
387 . 1 1 44 44 THR HG22 H 1 1.164 0.005 . 1 . . . . A 44 THR HG22 . 30475 1
388 . 1 1 44 44 THR HG23 H 1 1.164 0.005 . 1 . . . . A 44 THR HG23 . 30475 1
389 . 1 1 44 44 THR CA C 13 62.026 0.000 . 1 . . . . A 44 THR CA . 30475 1
390 . 1 1 44 44 THR CB C 13 70.020 0.000 . 1 . . . . A 44 THR CB . 30475 1
391 . 1 1 44 44 THR CG2 C 13 22.089 0.000 . 1 . . . . A 44 THR CG2 . 30475 1
392 . 1 1 44 44 THR N N 15 120.150 0.000 . 1 . . . . A 44 THR N . 30475 1
393 . 1 1 45 45 THR H H 1 8.116 0.002 . 1 . . . . A 45 THR H . 30475 1
394 . 1 1 45 45 THR HA H 1 4.760 0.007 . 1 . . . . A 45 THR HA . 30475 1
395 . 1 1 45 45 THR HB H 1 4.204 0.002 . 1 . . . . A 45 THR HB . 30475 1
396 . 1 1 45 45 THR HG21 H 1 0.814 0.004 . 1 . . . . A 45 THR HG21 . 30475 1
397 . 1 1 45 45 THR HG22 H 1 0.814 0.004 . 1 . . . . A 45 THR HG22 . 30475 1
398 . 1 1 45 45 THR HG23 H 1 0.814 0.004 . 1 . . . . A 45 THR HG23 . 30475 1
399 . 1 1 45 45 THR CA C 13 59.065 0.000 . 1 . . . . A 45 THR CA . 30475 1
400 . 1 1 45 45 THR CB C 13 70.645 0.000 . 1 . . . . A 45 THR CB . 30475 1
401 . 1 1 45 45 THR CG2 C 13 19.766 0.000 . 1 . . . . A 45 THR CG2 . 30475 1
402 . 1 1 45 45 THR N N 15 115.545 0.000 . 1 . . . . A 45 THR N . 30475 1
403 . 1 1 46 46 HIS H H 1 8.452 0.002 . 1 . . . . A 46 HIS H . 30475 1
404 . 1 1 46 46 HIS HA H 1 4.974 0.007 . 1 . . . . A 46 HIS HA . 30475 1
405 . 1 1 46 46 HIS HB2 H 1 3.375 0.000 . 2 . . . . A 46 HIS HB2 . 30475 1
406 . 1 1 46 46 HIS HB3 H 1 3.375 0.000 . 2 . . . . A 46 HIS HB3 . 30475 1
407 . 1 1 46 46 HIS CA C 13 55.305 0.000 . 1 . . . . A 46 HIS CA . 30475 1
408 . 1 1 46 46 HIS CB C 13 29.150 0.000 . 1 . . . . A 46 HIS CB . 30475 1
409 . 1 1 46 46 HIS N N 15 119.792 0.000 . 1 . . . . A 46 HIS N . 30475 1
410 . 1 1 47 47 CYS H H 1 8.594 0.001 . 1 . . . . A 47 CYS H . 30475 1
411 . 1 1 47 47 CYS HA H 1 4.548 0.002 . 1 . . . . A 47 CYS HA . 30475 1
412 . 1 1 47 47 CYS HB2 H 1 3.009 0.003 . 2 . . . . A 47 CYS HB2 . 30475 1
413 . 1 1 47 47 CYS HB3 H 1 3.264 0.002 . 2 . . . . A 47 CYS HB3 . 30475 1
414 . 1 1 47 47 CYS CB C 13 42.614 0.027 . 1 . . . . A 47 CYS CB . 30475 1
415 . 1 1 47 47 CYS N N 15 125.962 0.000 . 1 . . . . A 47 CYS N . 30475 1
stop_
save_