###################################
# 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 52364
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'The methyl assignment of E coli Hsp90 N domain'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-13C HMQC' . . . 52364 1
2 '3D 1H-13C NOESY' . . . 52364 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52364 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 MET HE1 H 1 1.4455 0.0000 . 1 . . . . . 1 MET HE1 . 52364 1
2 . 1 . 1 1 1 MET HE2 H 1 1.4455 0.0000 . 1 . . . . . 1 MET HE1 . 52364 1
3 . 1 . 1 1 1 MET HE3 H 1 1.4455 0.0000 . 1 . . . . . 1 MET HE1 . 52364 1
4 . 1 . 1 1 1 MET CE C 13 16.7050 0.0000 . 1 . . . . . 1 MET CE . 52364 1
5 . 1 . 1 6 6 THR HG21 H 1 1.1703 0.0000 . 1 . . . . . 6 THR HG21 . 52364 1
6 . 1 . 1 6 6 THR HG22 H 1 1.1703 0.0000 . 1 . . . . . 6 THR HG21 . 52364 1
7 . 1 . 1 6 6 THR HG23 H 1 1.1703 0.0000 . 1 . . . . . 6 THR HG21 . 52364 1
8 . 1 . 1 6 6 THR CG2 C 13 21.4438 0.0000 . 1 . . . . . 6 THR CG2 . 52364 1
9 . 1 . 1 13 13 VAL HG11 H 1 0.8861 0.0000 . 2 . . . . . 13 VAL HG11 . 52364 1
10 . 1 . 1 13 13 VAL HG12 H 1 0.8861 0.0000 . 2 . . . . . 13 VAL HG11 . 52364 1
11 . 1 . 1 13 13 VAL HG13 H 1 0.8861 0.0000 . 2 . . . . . 13 VAL HG11 . 52364 1
12 . 1 . 1 13 13 VAL HG21 H 1 0.2474 0.0000 . 2 . . . . . 13 VAL HG21 . 52364 1
13 . 1 . 1 13 13 VAL HG22 H 1 0.2474 0.0000 . 2 . . . . . 13 VAL HG21 . 52364 1
14 . 1 . 1 13 13 VAL HG23 H 1 0.2474 0.0000 . 2 . . . . . 13 VAL HG21 . 52364 1
15 . 1 . 1 13 13 VAL CG1 C 13 23.0038 0.0000 . 1 . . . . . 13 VAL CG1 . 52364 1
16 . 1 . 1 13 13 VAL CG2 C 13 21.0600 0.0000 . 1 . . . . . 13 VAL CG2 . 52364 1
17 . 1 . 1 16 16 LEU HD11 H 1 0.5236 0.0000 . 2 . . . . . 16 LEU HD11 . 52364 1
18 . 1 . 1 16 16 LEU HD12 H 1 0.5236 0.0000 . 2 . . . . . 16 LEU HD11 . 52364 1
19 . 1 . 1 16 16 LEU HD13 H 1 0.5236 0.0000 . 2 . . . . . 16 LEU HD11 . 52364 1
20 . 1 . 1 16 16 LEU HD21 H 1 0.2170 0.0000 . 2 . . . . . 16 LEU HD21 . 52364 1
21 . 1 . 1 16 16 LEU HD22 H 1 0.2170 0.0000 . 2 . . . . . 16 LEU HD21 . 52364 1
22 . 1 . 1 16 16 LEU HD23 H 1 0.2170 0.0000 . 2 . . . . . 16 LEU HD21 . 52364 1
23 . 1 . 1 16 16 LEU CD1 C 13 23.7741 0.0000 . 1 . . . . . 16 LEU CD1 . 52364 1
24 . 1 . 1 16 16 LEU CD2 C 13 24.8554 0.0000 . 1 . . . . . 16 LEU CD2 . 52364 1
25 . 1 . 1 17 17 LEU HD11 H 1 0.8886 0.0000 . 2 . . . . . 17 LEU HD11 . 52364 1
26 . 1 . 1 17 17 LEU HD12 H 1 0.8886 0.0000 . 2 . . . . . 17 LEU HD11 . 52364 1
27 . 1 . 1 17 17 LEU HD13 H 1 0.8886 0.0000 . 2 . . . . . 17 LEU HD11 . 52364 1
28 . 1 . 1 17 17 LEU HD21 H 1 0.5945 0.0000 . 2 . . . . . 17 LEU HD21 . 52364 1
29 . 1 . 1 17 17 LEU HD22 H 1 0.5945 0.0000 . 2 . . . . . 17 LEU HD21 . 52364 1
30 . 1 . 1 17 17 LEU HD23 H 1 0.5945 0.0000 . 2 . . . . . 17 LEU HD21 . 52364 1
31 . 1 . 1 17 17 LEU CD1 C 13 24.3791 0.0000 . 1 . . . . . 17 LEU CD1 . 52364 1
32 . 1 . 1 17 17 LEU CD2 C 13 23.2539 0.0000 . 1 . . . . . 17 LEU CD2 . 52364 1
33 . 1 . 1 19 19 LEU HD11 H 1 0.7370 0.0000 . 2 . . . . . 19 LEU HD11 . 52364 1
34 . 1 . 1 19 19 LEU HD12 H 1 0.7370 0.0000 . 2 . . . . . 19 LEU HD11 . 52364 1
35 . 1 . 1 19 19 LEU HD13 H 1 0.7370 0.0000 . 2 . . . . . 19 LEU HD11 . 52364 1
36 . 1 . 1 19 19 LEU CD1 C 13 25.4412 0.0000 . 1 . . . . . 19 LEU CD1 . 52364 1
37 . 1 . 1 20 20 MET HE1 H 1 1.8911 0.0000 . 1 . . . . . 20 MET HE1 . 52364 1
38 . 1 . 1 20 20 MET HE2 H 1 1.8911 0.0000 . 1 . . . . . 20 MET HE1 . 52364 1
39 . 1 . 1 20 20 MET HE3 H 1 1.8911 0.0000 . 1 . . . . . 20 MET HE1 . 52364 1
40 . 1 . 1 20 20 MET CE C 13 17.6683 0.0000 . 1 . . . . . 20 MET CE . 52364 1
41 . 1 . 1 21 21 ILE HD11 H 1 0.7720 0.0000 . 1 . . . . . 21 ILE HD11 . 52364 1
42 . 1 . 1 21 21 ILE HD12 H 1 0.7720 0.0000 . 1 . . . . . 21 ILE HD11 . 52364 1
43 . 1 . 1 21 21 ILE HD13 H 1 0.7720 0.0000 . 1 . . . . . 21 ILE HD11 . 52364 1
44 . 1 . 1 21 21 ILE CD1 C 13 13.6159 0.0000 . 1 . . . . . 21 ILE CD1 . 52364 1
45 . 1 . 1 24 24 LEU HD11 H 1 0.8493 0.0000 . 2 . . . . . 24 LEU HD11 . 52364 1
46 . 1 . 1 24 24 LEU HD12 H 1 0.8493 0.0000 . 2 . . . . . 24 LEU HD11 . 52364 1
47 . 1 . 1 24 24 LEU HD13 H 1 0.8493 0.0000 . 2 . . . . . 24 LEU HD11 . 52364 1
48 . 1 . 1 24 24 LEU HD21 H 1 0.8165 0.0000 . 2 . . . . . 24 LEU HD21 . 52364 1
49 . 1 . 1 24 24 LEU HD22 H 1 0.8165 0.0000 . 2 . . . . . 24 LEU HD21 . 52364 1
50 . 1 . 1 24 24 LEU HD23 H 1 0.8165 0.0000 . 2 . . . . . 24 LEU HD21 . 52364 1
51 . 1 . 1 24 24 LEU CD1 C 13 25.6517 0.0000 . 1 . . . . . 24 LEU CD1 . 52364 1
52 . 1 . 1 24 24 LEU CD2 C 13 23.4364 0.0000 . 1 . . . . . 24 LEU CD2 . 52364 1
53 . 1 . 1 30 30 ILE HD11 H 1 0.8591 0.0000 . 1 . . . . . 30 ILE HD11 . 52364 1
54 . 1 . 1 30 30 ILE HD12 H 1 0.8591 0.0000 . 1 . . . . . 30 ILE HD11 . 52364 1
55 . 1 . 1 30 30 ILE HD13 H 1 0.8591 0.0000 . 1 . . . . . 30 ILE HD11 . 52364 1
56 . 1 . 1 30 30 ILE CD1 C 13 14.4800 0.0000 . 1 . . . . . 30 ILE CD1 . 52364 1
57 . 1 . 1 32 32 LEU HD11 H 1 0.5675 0.0000 . 2 . . . . . 32 LEU HD11 . 52364 1
58 . 1 . 1 32 32 LEU HD12 H 1 0.5675 0.0000 . 2 . . . . . 32 LEU HD11 . 52364 1
59 . 1 . 1 32 32 LEU HD13 H 1 0.5675 0.0000 . 2 . . . . . 32 LEU HD11 . 52364 1
60 . 1 . 1 32 32 LEU HD21 H 1 0.7558 0.0000 . 2 . . . . . 32 LEU HD21 . 52364 1
61 . 1 . 1 32 32 LEU HD22 H 1 0.7558 0.0000 . 2 . . . . . 32 LEU HD21 . 52364 1
62 . 1 . 1 32 32 LEU HD23 H 1 0.7558 0.0000 . 2 . . . . . 32 LEU HD21 . 52364 1
63 . 1 . 1 32 32 LEU CD1 C 13 24.1288 0.0000 . 1 . . . . . 32 LEU CD1 . 52364 1
64 . 1 . 1 32 32 LEU CD2 C 13 25.7336 0.0000 . 1 . . . . . 32 LEU CD2 . 52364 1
65 . 1 . 1 35 35 LEU HD11 H 1 0.8790 0.0000 . 2 . . . . . 35 LEU HD11 . 52364 1
66 . 1 . 1 35 35 LEU HD12 H 1 0.8790 0.0000 . 2 . . . . . 35 LEU HD11 . 52364 1
67 . 1 . 1 35 35 LEU HD13 H 1 0.8790 0.0000 . 2 . . . . . 35 LEU HD11 . 52364 1
68 . 1 . 1 35 35 LEU HD21 H 1 0.8386 0.0000 . 2 . . . . . 35 LEU HD21 . 52364 1
69 . 1 . 1 35 35 LEU HD22 H 1 0.8386 0.0000 . 2 . . . . . 35 LEU HD21 . 52364 1
70 . 1 . 1 35 35 LEU HD23 H 1 0.8386 0.0000 . 2 . . . . . 35 LEU HD21 . 52364 1
71 . 1 . 1 35 35 LEU CD1 C 13 26.4225 0.0000 . 1 . . . . . 35 LEU CD1 . 52364 1
72 . 1 . 1 35 35 LEU CD2 C 13 23.1146 0.0000 . 1 . . . . . 35 LEU CD2 . 52364 1
73 . 1 . 1 36 36 ILE HD11 H 1 0.6623 0.0000 . 1 . . . . . 36 ILE HD11 . 52364 1
74 . 1 . 1 36 36 ILE HD12 H 1 0.6623 0.0000 . 1 . . . . . 36 ILE HD11 . 52364 1
75 . 1 . 1 36 36 ILE HD13 H 1 0.6623 0.0000 . 1 . . . . . 36 ILE HD11 . 52364 1
76 . 1 . 1 36 36 ILE CD1 C 13 12.2891 0.0000 . 1 . . . . . 36 ILE CD1 . 52364 1
77 . 1 . 1 39 39 ALA HB1 H 1 1.4096 0.0000 . 1 . . . . . 39 ALA HB1 . 52364 1
78 . 1 . 1 39 39 ALA HB2 H 1 1.4096 0.0000 . 1 . . . . . 39 ALA HB1 . 52364 1
79 . 1 . 1 39 39 ALA HB3 H 1 1.4096 0.0000 . 1 . . . . . 39 ALA HB1 . 52364 1
80 . 1 . 1 39 39 ALA CB C 13 18.4833 0.0000 . 1 . . . . . 39 ALA CB . 52364 1
81 . 1 . 1 42 42 ALA HB1 H 1 1.7111 0.0000 . 1 . . . . . 42 ALA HB1 . 52364 1
82 . 1 . 1 42 42 ALA HB2 H 1 1.7111 0.0000 . 1 . . . . . 42 ALA HB1 . 52364 1
83 . 1 . 1 42 42 ALA HB3 H 1 1.7111 0.0000 . 1 . . . . . 42 ALA HB1 . 52364 1
84 . 1 . 1 42 42 ALA CB C 13 18.8126 0.0000 . 1 . . . . . 42 ALA CB . 52364 1
85 . 1 . 1 43 43 ALA HB1 H 1 1.6081 0.0000 . 1 . . . . . 43 ALA HB1 . 52364 1
86 . 1 . 1 43 43 ALA HB2 H 1 1.6081 0.0000 . 1 . . . . . 43 ALA HB1 . 52364 1
87 . 1 . 1 43 43 ALA HB3 H 1 1.6081 0.0000 . 1 . . . . . 43 ALA HB1 . 52364 1
88 . 1 . 1 43 43 ALA CB C 13 19.0776 0.0000 . 1 . . . . . 43 ALA CB . 52364 1
89 . 1 . 1 46 46 LEU HD11 H 1 0.9353 0.0000 . 2 . . . . . 46 LEU HD11 . 52364 1
90 . 1 . 1 46 46 LEU HD12 H 1 0.9353 0.0000 . 2 . . . . . 46 LEU HD11 . 52364 1
91 . 1 . 1 46 46 LEU HD13 H 1 0.9353 0.0000 . 2 . . . . . 46 LEU HD11 . 52364 1
92 . 1 . 1 46 46 LEU HD21 H 1 0.5386 0.0000 . 2 . . . . . 46 LEU HD21 . 52364 1
93 . 1 . 1 46 46 LEU HD22 H 1 0.5386 0.0000 . 2 . . . . . 46 LEU HD21 . 52364 1
94 . 1 . 1 46 46 LEU HD23 H 1 0.5386 0.0000 . 2 . . . . . 46 LEU HD21 . 52364 1
95 . 1 . 1 46 46 LEU CD1 C 13 27.9698 0.0000 . 1 . . . . . 46 LEU CD1 . 52364 1
96 . 1 . 1 46 46 LEU CD2 C 13 23.3907 0.0000 . 1 . . . . . 46 LEU CD2 . 52364 1
97 . 1 . 1 50 50 ALA HB1 H 1 0.8230 0.0000 . 1 . . . . . 50 ALA HB1 . 52364 1
98 . 1 . 1 50 50 ALA HB2 H 1 0.8230 0.0000 . 1 . . . . . 50 ALA HB1 . 52364 1
99 . 1 . 1 50 50 ALA HB3 H 1 0.8230 0.0000 . 1 . . . . . 50 ALA HB1 . 52364 1
100 . 1 . 1 50 50 ALA CB C 13 18.3866 0.0000 . 1 . . . . . 50 ALA CB . 52364 1
101 . 1 . 1 51 51 LEU HD11 H 1 0.8684 0.0000 . 2 . . . . . 51 LEU HD11 . 52364 1
102 . 1 . 1 51 51 LEU HD12 H 1 0.8684 0.0000 . 2 . . . . . 51 LEU HD11 . 52364 1
103 . 1 . 1 51 51 LEU HD13 H 1 0.8684 0.0000 . 2 . . . . . 51 LEU HD11 . 52364 1
104 . 1 . 1 51 51 LEU HD21 H 1 0.9051 0.0000 . 2 . . . . . 51 LEU HD21 . 52364 1
105 . 1 . 1 51 51 LEU HD22 H 1 0.9051 0.0000 . 2 . . . . . 51 LEU HD21 . 52364 1
106 . 1 . 1 51 51 LEU HD23 H 1 0.9051 0.0000 . 2 . . . . . 51 LEU HD21 . 52364 1
107 . 1 . 1 51 51 LEU CD1 C 13 22.7725 0.0000 . 1 . . . . . 51 LEU CD1 . 52364 1
108 . 1 . 1 51 51 LEU CD2 C 13 24.8579 0.0000 . 1 . . . . . 51 LEU CD2 . 52364 1
109 . 1 . 1 56 56 LEU HD11 H 1 0.6677 0.0000 . 2 . . . . . 56 LEU HD11 . 52364 1
110 . 1 . 1 56 56 LEU HD12 H 1 0.6677 0.0000 . 2 . . . . . 56 LEU HD11 . 52364 1
111 . 1 . 1 56 56 LEU HD13 H 1 0.6677 0.0000 . 2 . . . . . 56 LEU HD11 . 52364 1
112 . 1 . 1 56 56 LEU HD21 H 1 0.6211 0.0000 . 2 . . . . . 56 LEU HD21 . 52364 1
113 . 1 . 1 56 56 LEU HD22 H 1 0.6211 0.0000 . 2 . . . . . 56 LEU HD21 . 52364 1
114 . 1 . 1 56 56 LEU HD23 H 1 0.6211 0.0000 . 2 . . . . . 56 LEU HD21 . 52364 1
115 . 1 . 1 56 56 LEU CD1 C 13 25.8919 0.0000 . 1 . . . . . 56 LEU CD1 . 52364 1
116 . 1 . 1 56 56 LEU CD2 C 13 21.5857 0.0000 . 1 . . . . . 56 LEU CD2 . 52364 1
117 . 1 . 1 63 63 LEU HD11 H 1 1.0407 0.0000 . 2 . . . . . 63 LEU HD11 . 52364 1
118 . 1 . 1 63 63 LEU HD12 H 1 1.0407 0.0000 . 2 . . . . . 63 LEU HD11 . 52364 1
119 . 1 . 1 63 63 LEU HD13 H 1 1.0407 0.0000 . 2 . . . . . 63 LEU HD11 . 52364 1
120 . 1 . 1 63 63 LEU HD21 H 1 0.7389 0.0000 . 2 . . . . . 63 LEU HD21 . 52364 1
121 . 1 . 1 63 63 LEU HD22 H 1 0.7389 0.0000 . 2 . . . . . 63 LEU HD21 . 52364 1
122 . 1 . 1 63 63 LEU HD23 H 1 0.7389 0.0000 . 2 . . . . . 63 LEU HD21 . 52364 1
123 . 1 . 1 63 63 LEU CD1 C 13 27.1353 0.0000 . 1 . . . . . 63 LEU CD1 . 52364 1
124 . 1 . 1 63 63 LEU CD2 C 13 22.1224 0.0000 . 1 . . . . . 63 LEU CD2 . 52364 1
125 . 1 . 1 65 65 VAL HG11 H 1 0.8656 0.0000 . 2 . . . . . 65 VAL HG11 . 52364 1
126 . 1 . 1 65 65 VAL HG12 H 1 0.8656 0.0000 . 2 . . . . . 65 VAL HG11 . 52364 1
127 . 1 . 1 65 65 VAL HG13 H 1 0.8656 0.0000 . 2 . . . . . 65 VAL HG11 . 52364 1
128 . 1 . 1 65 65 VAL HG21 H 1 0.8031 0.0000 . 2 . . . . . 65 VAL HG21 . 52364 1
129 . 1 . 1 65 65 VAL HG22 H 1 0.8031 0.0000 . 2 . . . . . 65 VAL HG21 . 52364 1
130 . 1 . 1 65 65 VAL HG23 H 1 0.8031 0.0000 . 2 . . . . . 65 VAL HG21 . 52364 1
131 . 1 . 1 65 65 VAL CG1 C 13 21.8141 0.0000 . 1 . . . . . 65 VAL CG1 . 52364 1
132 . 1 . 1 65 65 VAL CG2 C 13 23.1645 0.0000 . 1 . . . . . 65 VAL CG2 . 52364 1
133 . 1 . 1 67 67 VAL HG11 H 1 1.0186 0.0000 . 2 . . . . . 67 VAL HG11 . 52364 1
134 . 1 . 1 67 67 VAL HG12 H 1 1.0186 0.0000 . 2 . . . . . 67 VAL HG11 . 52364 1
135 . 1 . 1 67 67 VAL HG13 H 1 1.0186 0.0000 . 2 . . . . . 67 VAL HG11 . 52364 1
136 . 1 . 1 67 67 VAL HG21 H 1 0.6818 0.0000 . 2 . . . . . 67 VAL HG21 . 52364 1
137 . 1 . 1 67 67 VAL HG22 H 1 0.6818 0.0000 . 2 . . . . . 67 VAL HG21 . 52364 1
138 . 1 . 1 67 67 VAL HG23 H 1 0.6818 0.0000 . 2 . . . . . 67 VAL HG21 . 52364 1
139 . 1 . 1 67 67 VAL CG1 C 13 21.3598 0.0000 . 1 . . . . . 67 VAL CG1 . 52364 1
140 . 1 . 1 67 67 VAL CG2 C 13 20.6644 0.0000 . 1 . . . . . 67 VAL CG2 . 52364 1
141 . 1 . 1 75 75 THR HG21 H 1 0.9396 0.0000 . 1 . . . . . 75 THR HG21 . 52364 1
142 . 1 . 1 75 75 THR HG22 H 1 0.9396 0.0000 . 1 . . . . . 75 THR HG21 . 52364 1
143 . 1 . 1 75 75 THR HG23 H 1 0.9396 0.0000 . 1 . . . . . 75 THR HG21 . 52364 1
144 . 1 . 1 75 75 THR CG2 C 13 21.4354 0.0000 . 1 . . . . . 75 THR CG2 . 52364 1
145 . 1 . 1 76 76 LEU HD11 H 1 1.0231 0.0000 . 2 . . . . . 76 LEU HD11 . 52364 1
146 . 1 . 1 76 76 LEU HD12 H 1 1.0231 0.0000 . 2 . . . . . 76 LEU HD11 . 52364 1
147 . 1 . 1 76 76 LEU HD13 H 1 1.0231 0.0000 . 2 . . . . . 76 LEU HD11 . 52364 1
148 . 1 . 1 76 76 LEU HD21 H 1 1.0499 0.0000 . 2 . . . . . 76 LEU HD21 . 52364 1
149 . 1 . 1 76 76 LEU HD22 H 1 1.0499 0.0000 . 2 . . . . . 76 LEU HD21 . 52364 1
150 . 1 . 1 76 76 LEU HD23 H 1 1.0499 0.0000 . 2 . . . . . 76 LEU HD21 . 52364 1
151 . 1 . 1 76 76 LEU CD1 C 13 26.4417 0.0000 . 1 . . . . . 76 LEU CD1 . 52364 1
152 . 1 . 1 76 76 LEU CD2 C 13 25.7463 0.0000 . 1 . . . . . 76 LEU CD2 . 52364 1
153 . 1 . 1 77 77 THR HG21 H 1 1.1779 0.0000 . 1 . . . . . 77 THR HG21 . 52364 1
154 . 1 . 1 77 77 THR HG22 H 1 1.1779 0.0000 . 1 . . . . . 77 THR HG21 . 52364 1
155 . 1 . 1 77 77 THR HG23 H 1 1.1779 0.0000 . 1 . . . . . 77 THR HG21 . 52364 1
156 . 1 . 1 77 77 THR CG2 C 13 20.2634 0.0000 . 1 . . . . . 77 THR CG2 . 52364 1
157 . 1 . 1 78 78 ILE HD11 H 1 0.7362 0.0000 . 1 . . . . . 78 ILE HD11 . 52364 1
158 . 1 . 1 78 78 ILE HD12 H 1 0.7362 0.0000 . 1 . . . . . 78 ILE HD11 . 52364 1
159 . 1 . 1 78 78 ILE HD13 H 1 0.7362 0.0000 . 1 . . . . . 78 ILE HD11 . 52364 1
160 . 1 . 1 78 78 ILE CD1 C 13 14.4189 0.0000 . 1 . . . . . 78 ILE CD1 . 52364 1
161 . 1 . 1 83 83 VAL HG11 H 1 10.3775 0.0000 . 2 . . . . . 83 VAL HG11 . 52364 1
162 . 1 . 1 83 83 VAL HG12 H 1 10.3775 0.0000 . 2 . . . . . 83 VAL HG11 . 52364 1
163 . 1 . 1 83 83 VAL HG13 H 1 10.3775 0.0000 . 2 . . . . . 83 VAL HG11 . 52364 1
164 . 1 . 1 83 83 VAL HG21 H 1 1.2115 0.0000 . 2 . . . . . 83 VAL HG21 . 52364 1
165 . 1 . 1 83 83 VAL HG22 H 1 1.2115 0.0000 . 2 . . . . . 83 VAL HG21 . 52364 1
166 . 1 . 1 83 83 VAL HG23 H 1 1.2115 0.0000 . 2 . . . . . 83 VAL HG21 . 52364 1
167 . 1 . 1 83 83 VAL CG1 C 13 22.5003 0.0000 . 1 . . . . . 83 VAL CG1 . 52364 1
168 . 1 . 1 85 85 MET HE1 H 1 1.6139 0.0000 . 1 . . . . . 85 MET HE1 . 52364 1
169 . 1 . 1 85 85 MET HE2 H 1 1.6139 0.0000 . 1 . . . . . 85 MET HE1 . 52364 1
170 . 1 . 1 85 85 MET HE3 H 1 1.6139 0.0000 . 1 . . . . . 85 MET HE1 . 52364 1
171 . 1 . 1 85 85 MET CE C 13 17.1451 0.0000 . 1 . . . . . 85 MET CE . 52364 1
172 . 1 . 1 86 86 THR HG21 H 1 1.0249 0.0000 . 1 . . . . . 86 THR HG21 . 52364 1
173 . 1 . 1 86 86 THR HG22 H 1 1.0249 0.0000 . 1 . . . . . 86 THR HG21 . 52364 1
174 . 1 . 1 86 86 THR HG23 H 1 1.0249 0.0000 . 1 . . . . . 86 THR HG21 . 52364 1
175 . 1 . 1 86 86 THR CG2 C 13 21.0686 0.0000 . 1 . . . . . 86 THR CG2 . 52364 1
176 . 1 . 1 90 90 VAL HG11 H 1 0.7160 0.0000 . 2 . . . . . 90 VAL HG11 . 52364 1
177 . 1 . 1 90 90 VAL HG12 H 1 0.7160 0.0000 . 2 . . . . . 90 VAL HG11 . 52364 1
178 . 1 . 1 90 90 VAL HG13 H 1 0.7160 0.0000 . 2 . . . . . 90 VAL HG11 . 52364 1
179 . 1 . 1 90 90 VAL HG21 H 1 0.8053 0.0000 . 2 . . . . . 90 VAL HG21 . 52364 1
180 . 1 . 1 90 90 VAL HG22 H 1 0.8053 0.0000 . 2 . . . . . 90 VAL HG21 . 52364 1
181 . 1 . 1 90 90 VAL HG23 H 1 0.8053 0.0000 . 2 . . . . . 90 VAL HG21 . 52364 1
182 . 1 . 1 90 90 VAL CG1 C 13 21.8633 0.0000 . 1 . . . . . 90 VAL CG1 . 52364 1
183 . 1 . 1 90 90 VAL CG2 C 13 24.2743 0.0000 . 1 . . . . . 90 VAL CG2 . 52364 1
184 . 1 . 1 91 91 ILE HD11 H 1 0.9567 0.0000 . 1 . . . . . 91 ILE HD11 . 52364 1
185 . 1 . 1 91 91 ILE HD12 H 1 0.9567 0.0000 . 1 . . . . . 91 ILE HD11 . 52364 1
186 . 1 . 1 91 91 ILE HD13 H 1 0.9567 0.0000 . 1 . . . . . 91 ILE HD11 . 52364 1
187 . 1 . 1 91 91 ILE CD1 C 13 12.0328 0.0000 . 1 . . . . . 91 ILE CD1 . 52364 1
188 . 1 . 1 94 94 LEU HD11 H 1 -0.2805 0.0000 . 2 . . . . . 94 LEU HD11 . 52364 1
189 . 1 . 1 94 94 LEU HD12 H 1 -0.2805 0.0000 . 2 . . . . . 94 LEU HD11 . 52364 1
190 . 1 . 1 94 94 LEU HD13 H 1 -0.2805 0.0000 . 2 . . . . . 94 LEU HD11 . 52364 1
191 . 1 . 1 94 94 LEU HD21 H 1 -0.4141 0.0000 . 2 . . . . . 94 LEU HD21 . 52364 1
192 . 1 . 1 94 94 LEU HD22 H 1 -0.4141 0.0000 . 2 . . . . . 94 LEU HD21 . 52364 1
193 . 1 . 1 94 94 LEU HD23 H 1 -0.4141 0.0000 . 2 . . . . . 94 LEU HD21 . 52364 1
194 . 1 . 1 94 94 LEU CD1 C 13 24.1252 0.0000 . 1 . . . . . 94 LEU CD1 . 52364 1
195 . 1 . 1 94 94 LEU CD2 C 13 21.3963 0.0000 . 1 . . . . . 94 LEU CD2 . 52364 1
196 . 1 . 1 97 97 ILE HD11 H 1 0.5321 0.0000 . 1 . . . . . 97 ILE HD11 . 52364 1
197 . 1 . 1 97 97 ILE HD12 H 1 0.5321 0.0000 . 1 . . . . . 97 ILE HD11 . 52364 1
198 . 1 . 1 97 97 ILE HD13 H 1 0.5321 0.0000 . 1 . . . . . 97 ILE HD11 . 52364 1
199 . 1 . 1 97 97 ILE CD1 C 13 13.1971 0.0000 . 1 . . . . . 97 ILE CD1 . 52364 1
200 . 1 . 1 102 102 THR HG21 H 1 1.1829 0.0000 . 1 . . . . . 102 THR HG21 . 52364 1
201 . 1 . 1 102 102 THR HG22 H 1 1.1829 0.0000 . 1 . . . . . 102 THR HG21 . 52364 1
202 . 1 . 1 102 102 THR HG23 H 1 1.1829 0.0000 . 1 . . . . . 102 THR HG21 . 52364 1
203 . 1 . 1 102 102 THR CG2 C 13 22.2359 0.0000 . 1 . . . . . 102 THR CG2 . 52364 1
204 . 1 . 1 106 106 LEU HD11 H 1 0.8212 0.0000 . 2 . . . . . 106 LEU HD11 . 52364 1
205 . 1 . 1 106 106 LEU HD12 H 1 0.8212 0.0000 . 2 . . . . . 106 LEU HD11 . 52364 1
206 . 1 . 1 106 106 LEU HD13 H 1 0.8212 0.0000 . 2 . . . . . 106 LEU HD11 . 52364 1
207 . 1 . 1 106 106 LEU HD21 H 1 0.7628 0.0000 . 2 . . . . . 106 LEU HD21 . 52364 1
208 . 1 . 1 106 106 LEU HD22 H 1 0.7628 0.0000 . 2 . . . . . 106 LEU HD21 . 52364 1
209 . 1 . 1 106 106 LEU HD23 H 1 0.7628 0.0000 . 2 . . . . . 106 LEU HD21 . 52364 1
210 . 1 . 1 106 106 LEU CD1 C 13 25.7365 0.0000 . 1 . . . . . 106 LEU CD1 . 52364 1
211 . 1 . 1 106 106 LEU CD2 C 13 23.1240 0.0000 . 1 . . . . . 106 LEU CD2 . 52364 1
212 . 1 . 1 109 109 LEU HD11 H 1 0.6243 0.0000 . 2 . . . . . 109 LEU HD11 . 52364 1
213 . 1 . 1 109 109 LEU HD12 H 1 0.6243 0.0000 . 2 . . . . . 109 LEU HD11 . 52364 1
214 . 1 . 1 109 109 LEU HD13 H 1 0.6243 0.0000 . 2 . . . . . 109 LEU HD11 . 52364 1
215 . 1 . 1 109 109 LEU HD21 H 1 0.5799 0.0000 . 2 . . . . . 109 LEU HD21 . 52364 1
216 . 1 . 1 109 109 LEU HD22 H 1 0.5799 0.0000 . 2 . . . . . 109 LEU HD21 . 52364 1
217 . 1 . 1 109 109 LEU HD23 H 1 0.5799 0.0000 . 2 . . . . . 109 LEU HD21 . 52364 1
218 . 1 . 1 109 109 LEU CD1 C 13 25.4379 0.0000 . 1 . . . . . 109 LEU CD1 . 52364 1
219 . 1 . 1 109 109 LEU CD2 C 13 23.1131 0.0000 . 1 . . . . . 109 LEU CD2 . 52364 1
220 . 1 . 1 114 114 ALA HB1 H 1 1.3986 0.0000 . 1 . . . . . 114 ALA HB1 . 52364 1
221 . 1 . 1 114 114 ALA HB2 H 1 1.3986 0.0000 . 1 . . . . . 114 ALA HB1 . 52364 1
222 . 1 . 1 114 114 ALA HB3 H 1 1.3986 0.0000 . 1 . . . . . 114 ALA HB1 . 52364 1
223 . 1 . 1 114 114 ALA CB C 13 18.7007 0.0000 . 1 . . . . . 114 ALA CB . 52364 1
224 . 1 . 1 119 119 LEU HD11 H 1 0.8924 0.0000 . 2 . . . . . 119 LEU HD11 . 52364 1
225 . 1 . 1 119 119 LEU HD12 H 1 0.8924 0.0000 . 2 . . . . . 119 LEU HD11 . 52364 1
226 . 1 . 1 119 119 LEU HD13 H 1 0.8924 0.0000 . 2 . . . . . 119 LEU HD11 . 52364 1
227 . 1 . 1 119 119 LEU HD21 H 1 0.8241 0.0000 . 2 . . . . . 119 LEU HD21 . 52364 1
228 . 1 . 1 119 119 LEU HD22 H 1 0.8241 0.0000 . 2 . . . . . 119 LEU HD21 . 52364 1
229 . 1 . 1 119 119 LEU HD23 H 1 0.8241 0.0000 . 2 . . . . . 119 LEU HD21 . 52364 1
230 . 1 . 1 119 119 LEU CD1 C 13 25.1184 0.0000 . 1 . . . . . 119 LEU CD1 . 52364 1
231 . 1 . 1 119 119 LEU CD2 C 13 23.3724 0.0000 . 1 . . . . . 119 LEU CD2 . 52364 1
232 . 1 . 1 120 120 ILE HD11 H 1 0.7721 0.0000 . 1 . . . . . 120 ILE HD11 . 52364 1
233 . 1 . 1 120 120 ILE HD12 H 1 0.7721 0.0000 . 1 . . . . . 120 ILE HD11 . 52364 1
234 . 1 . 1 120 120 ILE HD13 H 1 0.7721 0.0000 . 1 . . . . . 120 ILE HD11 . 52364 1
235 . 1 . 1 120 120 ILE CD1 C 13 13.3683 0.0000 . 1 . . . . . 120 ILE CD1 . 52364 1
236 . 1 . 1 125 125 VAL HG11 H 1 0.8439 0.0000 . 2 . . . . . 125 VAL HG11 . 52364 1
237 . 1 . 1 125 125 VAL HG12 H 1 0.8439 0.0000 . 2 . . . . . 125 VAL HG11 . 52364 1
238 . 1 . 1 125 125 VAL HG13 H 1 0.8439 0.0000 . 2 . . . . . 125 VAL HG11 . 52364 1
239 . 1 . 1 125 125 VAL HG21 H 1 0.8517 0.0000 . 2 . . . . . 125 VAL HG21 . 52364 1
240 . 1 . 1 125 125 VAL HG22 H 1 0.8517 0.0000 . 2 . . . . . 125 VAL HG21 . 52364 1
241 . 1 . 1 125 125 VAL HG23 H 1 0.8517 0.0000 . 2 . . . . . 125 VAL HG21 . 52364 1
242 . 1 . 1 125 125 VAL CG1 C 13 21.7844 0.0000 . 1 . . . . . 125 VAL CG1 . 52364 1
243 . 1 . 1 125 125 VAL CG2 C 13 20.5790 0.0000 . 1 . . . . . 125 VAL CG2 . 52364 1
244 . 1 . 1 130 130 ALA HB1 H 1 0.8483 0.0000 . 1 . . . . . 130 ALA HB1 . 52364 1
245 . 1 . 1 130 130 ALA HB2 H 1 0.8483 0.0000 . 1 . . . . . 130 ALA HB1 . 52364 1
246 . 1 . 1 130 130 ALA HB3 H 1 0.8483 0.0000 . 1 . . . . . 130 ALA HB1 . 52364 1
247 . 1 . 1 130 130 ALA CB C 13 18.5539 0.0000 . 1 . . . . . 130 ALA CB . 52364 1
248 . 1 . 1 132 132 ILE HD11 H 1 0.8032 0.0000 . 1 . . . . . 132 ILE HD11 . 52364 1
249 . 1 . 1 132 132 ILE HD12 H 1 0.8032 0.0000 . 1 . . . . . 132 ILE HD11 . 52364 1
250 . 1 . 1 132 132 ILE HD13 H 1 0.8032 0.0000 . 1 . . . . . 132 ILE HD11 . 52364 1
251 . 1 . 1 132 132 ILE CD1 C 13 14.3918 0.0000 . 1 . . . . . 132 ILE CD1 . 52364 1
252 . 1 . 1 133 133 VAL HG11 H 1 0.4978 0.0000 . 2 . . . . . 133 VAL HG11 . 52364 1
253 . 1 . 1 133 133 VAL HG12 H 1 0.4978 0.0000 . 2 . . . . . 133 VAL HG11 . 52364 1
254 . 1 . 1 133 133 VAL HG13 H 1 0.4978 0.0000 . 2 . . . . . 133 VAL HG11 . 52364 1
255 . 1 . 1 133 133 VAL HG21 H 1 -0.5081 0.0000 . 2 . . . . . 133 VAL HG21 . 52364 1
256 . 1 . 1 133 133 VAL HG22 H 1 -0.5081 0.0000 . 2 . . . . . 133 VAL HG21 . 52364 1
257 . 1 . 1 133 133 VAL HG23 H 1 -0.5081 0.0000 . 2 . . . . . 133 VAL HG21 . 52364 1
258 . 1 . 1 133 133 VAL CG1 C 13 22.1638 0.0000 . 1 . . . . . 133 VAL CG1 . 52364 1
259 . 1 . 1 133 133 VAL CG2 C 13 16.2299 0.0000 . 1 . . . . . 133 VAL CG2 . 52364 1
260 . 1 . 1 134 134 ALA HB1 H 1 0.9497 0.0000 . 1 . . . . . 134 ALA HB1 . 52364 1
261 . 1 . 1 134 134 ALA HB2 H 1 0.9497 0.0000 . 1 . . . . . 134 ALA HB1 . 52364 1
262 . 1 . 1 134 134 ALA HB3 H 1 0.9497 0.0000 . 1 . . . . . 134 ALA HB1 . 52364 1
263 . 1 . 1 134 134 ALA CB C 13 21.7940 0.0000 . 1 . . . . . 134 ALA CB . 52364 1
264 . 1 . 1 137 137 VAL HG11 H 1 -0.1361 0.0000 . 2 . . . . . 137 VAL HG11 . 52364 1
265 . 1 . 1 137 137 VAL HG12 H 1 -0.1361 0.0000 . 2 . . . . . 137 VAL HG11 . 52364 1
266 . 1 . 1 137 137 VAL HG13 H 1 -0.1361 0.0000 . 2 . . . . . 137 VAL HG11 . 52364 1
267 . 1 . 1 137 137 VAL HG21 H 1 0.9118 0.0000 . 2 . . . . . 137 VAL HG21 . 52364 1
268 . 1 . 1 137 137 VAL HG22 H 1 0.9118 0.0000 . 2 . . . . . 137 VAL HG21 . 52364 1
269 . 1 . 1 137 137 VAL HG23 H 1 0.9118 0.0000 . 2 . . . . . 137 VAL HG21 . 52364 1
270 . 1 . 1 137 137 VAL CG1 C 13 21.7409 0.0000 . 1 . . . . . 137 VAL CG1 . 52364 1
271 . 1 . 1 137 137 VAL CG2 C 13 22.9260 0.0000 . 1 . . . . . 137 VAL CG2 . 52364 1
272 . 1 . 1 138 138 THR HG21 H 1 1.2052 0.0000 . 1 . . . . . 138 THR HG21 . 52364 1
273 . 1 . 1 138 138 THR HG22 H 1 1.2052 0.0000 . 1 . . . . . 138 THR HG21 . 52364 1
274 . 1 . 1 138 138 THR HG23 H 1 1.2052 0.0000 . 1 . . . . . 138 THR HG21 . 52364 1
275 . 1 . 1 138 138 THR CG2 C 13 22.6606 0.0000 . 1 . . . . . 138 THR CG2 . 52364 1
276 . 1 . 1 139 139 VAL HG11 H 1 0.5646 0.0000 . 2 . . . . . 139 VAL HG11 . 52364 1
277 . 1 . 1 139 139 VAL HG12 H 1 0.5646 0.0000 . 2 . . . . . 139 VAL HG11 . 52364 1
278 . 1 . 1 139 139 VAL HG13 H 1 0.5646 0.0000 . 2 . . . . . 139 VAL HG11 . 52364 1
279 . 1 . 1 139 139 VAL HG21 H 1 0.9761 0.0000 . 2 . . . . . 139 VAL HG21 . 52364 1
280 . 1 . 1 139 139 VAL HG22 H 1 0.9761 0.0000 . 2 . . . . . 139 VAL HG21 . 52364 1
281 . 1 . 1 139 139 VAL HG23 H 1 0.9761 0.0000 . 2 . . . . . 139 VAL HG21 . 52364 1
282 . 1 . 1 139 139 VAL CG1 C 13 20.3251 0.0000 . 1 . . . . . 139 VAL CG1 . 52364 1
283 . 1 . 1 139 139 VAL CG2 C 13 22.3873 0.0000 . 1 . . . . . 139 VAL CG2 . 52364 1
284 . 1 . 1 141 141 THR HG21 H 1 1.1036 0.0000 . 1 . . . . . 141 THR HG21 . 52364 1
285 . 1 . 1 141 141 THR HG22 H 1 1.1036 0.0000 . 1 . . . . . 141 THR HG21 . 52364 1
286 . 1 . 1 141 141 THR HG23 H 1 1.1036 0.0000 . 1 . . . . . 141 THR HG21 . 52364 1
287 . 1 . 1 141 141 THR CG2 C 13 19.5852 0.0000 . 1 . . . . . 141 THR CG2 . 52364 1
288 . 1 . 1 143 143 ALA HB1 H 1 1.2637 0.0000 . 1 . . . . . 143 ALA HB1 . 52364 1
289 . 1 . 1 143 143 ALA HB2 H 1 1.2637 0.0000 . 1 . . . . . 143 ALA HB1 . 52364 1
290 . 1 . 1 143 143 ALA HB3 H 1 1.2637 0.0000 . 1 . . . . . 143 ALA HB1 . 52364 1
291 . 1 . 1 143 143 ALA CB C 13 19.9564 0.0000 . 1 . . . . . 143 ALA CB . 52364 1
292 . 1 . 1 144 144 ALA HB1 H 1 1.3456 0.0000 . 1 . . . . . 144 ALA HB1 . 52364 1
293 . 1 . 1 144 144 ALA HB2 H 1 1.3456 0.0000 . 1 . . . . . 144 ALA HB1 . 52364 1
294 . 1 . 1 144 144 ALA HB3 H 1 1.3456 0.0000 . 1 . . . . . 144 ALA HB1 . 52364 1
295 . 1 . 1 144 144 ALA CB C 13 19.8579 0.0000 . 1 . . . . . 144 ALA CB . 52364 1
296 . 1 . 1 152 152 VAL HG11 H 1 1.1347 0.0000 . 2 . . . . . 152 VAL HG11 . 52364 1
297 . 1 . 1 152 152 VAL HG12 H 1 1.1347 0.0000 . 2 . . . . . 152 VAL HG11 . 52364 1
298 . 1 . 1 152 152 VAL HG13 H 1 1.1347 0.0000 . 2 . . . . . 152 VAL HG11 . 52364 1
299 . 1 . 1 152 152 VAL HG21 H 1 0.8766 0.0000 . 2 . . . . . 152 VAL HG21 . 52364 1
300 . 1 . 1 152 152 VAL HG22 H 1 0.8766 0.0000 . 2 . . . . . 152 VAL HG21 . 52364 1
301 . 1 . 1 152 152 VAL HG23 H 1 0.8766 0.0000 . 2 . . . . . 152 VAL HG21 . 52364 1
302 . 1 . 1 152 152 VAL CG1 C 13 22.7592 0.0000 . 1 . . . . . 152 VAL CG1 . 52364 1
303 . 1 . 1 152 152 VAL CG2 C 13 20.9117 0.0000 . 1 . . . . . 152 VAL CG2 . 52364 1
304 . 1 . 1 157 157 ALA HB1 H 1 1.5798 0.0000 . 1 . . . . . 157 ALA HB1 . 52364 1
305 . 1 . 1 157 157 ALA HB2 H 1 1.5798 0.0000 . 1 . . . . . 157 ALA HB1 . 52364 1
306 . 1 . 1 157 157 ALA HB3 H 1 1.5798 0.0000 . 1 . . . . . 157 ALA HB1 . 52364 1
307 . 1 . 1 157 157 ALA CB C 13 19.4811 0.0000 . 1 . . . . . 157 ALA CB . 52364 1
308 . 1 . 1 163 163 THR HG21 H 1 1.1939 0.0000 . 1 . . . . . 163 THR HG21 . 52364 1
309 . 1 . 1 163 163 THR HG22 H 1 1.1939 0.0000 . 1 . . . . . 163 THR HG21 . 52364 1
310 . 1 . 1 163 163 THR HG23 H 1 1.1939 0.0000 . 1 . . . . . 163 THR HG21 . 52364 1
311 . 1 . 1 163 163 THR CG2 C 13 21.1969 0.0000 . 1 . . . . . 163 THR CG2 . 52364 1
312 . 1 . 1 164 164 VAL HG11 H 1 1.1824 0.0000 . 2 . . . . . 164 VAL HG11 . 52364 1
313 . 1 . 1 164 164 VAL HG12 H 1 1.1824 0.0000 . 2 . . . . . 164 VAL HG11 . 52364 1
314 . 1 . 1 164 164 VAL HG13 H 1 1.1824 0.0000 . 2 . . . . . 164 VAL HG11 . 52364 1
315 . 1 . 1 164 164 VAL HG21 H 1 1.2452 0.0000 . 2 . . . . . 164 VAL HG21 . 52364 1
316 . 1 . 1 164 164 VAL HG22 H 1 1.2452 0.0000 . 2 . . . . . 164 VAL HG21 . 52364 1
317 . 1 . 1 164 164 VAL HG23 H 1 1.2452 0.0000 . 2 . . . . . 164 VAL HG21 . 52364 1
318 . 1 . 1 164 164 VAL CG1 C 13 20.6582 0.0000 . 1 . . . . . 164 VAL CG1 . 52364 1
319 . 1 . 1 164 164 VAL CG2 C 13 21.4469 0.0000 . 1 . . . . . 164 VAL CG2 . 52364 1
320 . 1 . 1 165 165 ALA HB1 H 1 1.3577 0.0000 . 1 . . . . . 165 ALA HB1 . 52364 1
321 . 1 . 1 165 165 ALA HB2 H 1 1.3577 0.0000 . 1 . . . . . 165 ALA HB1 . 52364 1
322 . 1 . 1 165 165 ALA HB3 H 1 1.3577 0.0000 . 1 . . . . . 165 ALA HB1 . 52364 1
323 . 1 . 1 165 165 ALA CB C 13 23.4252 0.0000 . 1 . . . . . 165 ALA CB . 52364 1
324 . 1 . 1 167 167 ILE HD11 H 1 0.9199 0.0000 . 1 . . . . . 167 ILE HD11 . 52364 1
325 . 1 . 1 167 167 ILE HD12 H 1 0.9199 0.0000 . 1 . . . . . 167 ILE HD11 . 52364 1
326 . 1 . 1 167 167 ILE HD13 H 1 0.9199 0.0000 . 1 . . . . . 167 ILE HD11 . 52364 1
327 . 1 . 1 167 167 ILE CD1 C 13 14.3189 0.0000 . 1 . . . . . 167 ILE CD1 . 52364 1
328 . 1 . 1 174 174 THR HG21 H 1 0.9303 0.0000 . 1 . . . . . 174 THR HG21 . 52364 1
329 . 1 . 1 174 174 THR HG22 H 1 0.9303 0.0000 . 1 . . . . . 174 THR HG21 . 52364 1
330 . 1 . 1 174 174 THR HG23 H 1 0.9303 0.0000 . 1 . . . . . 174 THR HG21 . 52364 1
331 . 1 . 1 174 174 THR CG2 C 13 21.0374 0.0000 . 1 . . . . . 174 THR CG2 . 52364 1
332 . 1 . 1 176 176 ILE HD11 H 1 0.8557 0.0000 . 1 . . . . . 176 ILE HD11 . 52364 1
333 . 1 . 1 176 176 ILE HD12 H 1 0.8557 0.0000 . 1 . . . . . 176 ILE HD11 . 52364 1
334 . 1 . 1 176 176 ILE HD13 H 1 0.8557 0.0000 . 1 . . . . . 176 ILE HD11 . 52364 1
335 . 1 . 1 176 176 ILE CD1 C 13 14.6786 0.0000 . 1 . . . . . 176 ILE CD1 . 52364 1
336 . 1 . 1 177 177 THR HG21 H 1 1.2039 0.0000 . 1 . . . . . 177 THR HG21 . 52364 1
337 . 1 . 1 177 177 THR HG22 H 1 1.2039 0.0000 . 1 . . . . . 177 THR HG21 . 52364 1
338 . 1 . 1 177 177 THR HG23 H 1 1.2039 0.0000 . 1 . . . . . 177 THR HG21 . 52364 1
339 . 1 . 1 177 177 THR CG2 C 13 21.9081 0.0000 . 1 . . . . . 177 THR CG2 . 52364 1
340 . 1 . 1 178 178 LEU HD11 H 1 0.4728 0.0000 . 2 . . . . . 178 LEU HD11 . 52364 1
341 . 1 . 1 178 178 LEU HD12 H 1 0.4728 0.0000 . 2 . . . . . 178 LEU HD11 . 52364 1
342 . 1 . 1 178 178 LEU HD13 H 1 0.4728 0.0000 . 2 . . . . . 178 LEU HD11 . 52364 1
343 . 1 . 1 178 178 LEU HD21 H 1 0.7137 0.0000 . 2 . . . . . 178 LEU HD21 . 52364 1
344 . 1 . 1 178 178 LEU HD22 H 1 0.7137 0.0000 . 2 . . . . . 178 LEU HD21 . 52364 1
345 . 1 . 1 178 178 LEU HD23 H 1 0.7137 0.0000 . 2 . . . . . 178 LEU HD21 . 52364 1
346 . 1 . 1 178 178 LEU CD1 C 13 28.0310 0.0000 . 1 . . . . . 178 LEU CD1 . 52364 1
347 . 1 . 1 178 178 LEU CD2 C 13 25.4354 0.0000 . 1 . . . . . 178 LEU CD2 . 52364 1
348 . 1 . 1 180 180 LEU HD11 H 1 0.7847 0.0000 . 2 . . . . . 180 LEU HD11 . 52364 1
349 . 1 . 1 180 180 LEU HD12 H 1 0.7847 0.0000 . 2 . . . . . 180 LEU HD11 . 52364 1
350 . 1 . 1 180 180 LEU HD13 H 1 0.7847 0.0000 . 2 . . . . . 180 LEU HD11 . 52364 1
351 . 1 . 1 180 180 LEU HD21 H 1 0.6170 0.0000 . 2 . . . . . 180 LEU HD21 . 52364 1
352 . 1 . 1 180 180 LEU HD22 H 1 0.6170 0.0000 . 2 . . . . . 180 LEU HD21 . 52364 1
353 . 1 . 1 180 180 LEU HD23 H 1 0.6170 0.0000 . 2 . . . . . 180 LEU HD21 . 52364 1
354 . 1 . 1 180 180 LEU CD1 C 13 26.3456 0.0000 . 1 . . . . . 180 LEU CD1 . 52364 1
355 . 1 . 1 180 180 LEU CD2 C 13 22.2647 0.0000 . 1 . . . . . 180 LEU CD2 . 52364 1
356 . 1 . 1 188 188 LEU HD11 H 1 0.9244 0.0000 . 2 . . . . . 188 LEU HD11 . 52364 1
357 . 1 . 1 188 188 LEU HD12 H 1 0.9244 0.0000 . 2 . . . . . 188 LEU HD11 . 52364 1
358 . 1 . 1 188 188 LEU HD13 H 1 0.9244 0.0000 . 2 . . . . . 188 LEU HD11 . 52364 1
359 . 1 . 1 188 188 LEU HD21 H 1 0.7948 0.0000 . 2 . . . . . 188 LEU HD21 . 52364 1
360 . 1 . 1 188 188 LEU HD22 H 1 0.7948 0.0000 . 2 . . . . . 188 LEU HD21 . 52364 1
361 . 1 . 1 188 188 LEU HD23 H 1 0.7948 0.0000 . 2 . . . . . 188 LEU HD21 . 52364 1
362 . 1 . 1 188 188 LEU CD1 C 13 26.4008 0.0000 . 1 . . . . . 188 LEU CD1 . 52364 1
363 . 1 . 1 188 188 LEU CD2 C 13 24.1579 0.0000 . 1 . . . . . 188 LEU CD2 . 52364 1
364 . 1 . 1 193 193 VAL HG11 H 1 0.6162 0.0000 . 2 . . . . . 193 VAL HG11 . 52364 1
365 . 1 . 1 193 193 VAL HG12 H 1 0.6162 0.0000 . 2 . . . . . 193 VAL HG11 . 52364 1
366 . 1 . 1 193 193 VAL HG13 H 1 0.6162 0.0000 . 2 . . . . . 193 VAL HG11 . 52364 1
367 . 1 . 1 193 193 VAL HG21 H 1 1.2638 0.0000 . 2 . . . . . 193 VAL HG21 . 52364 1
368 . 1 . 1 193 193 VAL HG22 H 1 1.2638 0.0000 . 2 . . . . . 193 VAL HG21 . 52364 1
369 . 1 . 1 193 193 VAL HG23 H 1 1.2638 0.0000 . 2 . . . . . 193 VAL HG21 . 52364 1
370 . 1 . 1 193 193 VAL CG1 C 13 21.2921 0.0000 . 1 . . . . . 193 VAL CG1 . 52364 1
371 . 1 . 1 193 193 VAL CG2 C 13 24.0911 0.0000 . 1 . . . . . 193 VAL CG2 . 52364 1
372 . 1 . 1 196 196 ILE HD11 H 1 0.9365 0.0000 . 1 . . . . . 196 ILE HD11 . 52364 1
373 . 1 . 1 196 196 ILE HD12 H 1 0.9365 0.0000 . 1 . . . . . 196 ILE HD11 . 52364 1
374 . 1 . 1 196 196 ILE HD13 H 1 0.9365 0.0000 . 1 . . . . . 196 ILE HD11 . 52364 1
375 . 1 . 1 196 196 ILE CD1 C 13 15.1065 0.0000 . 1 . . . . . 196 ILE CD1 . 52364 1
376 . 1 . 1 197 197 ILE HD11 H 1 0.7030 0.0000 . 1 . . . . . 197 ILE HD11 . 52364 1
377 . 1 . 1 197 197 ILE HD12 H 1 0.7030 0.0000 . 1 . . . . . 197 ILE HD11 . 52364 1
378 . 1 . 1 197 197 ILE HD13 H 1 0.7030 0.0000 . 1 . . . . . 197 ILE HD11 . 52364 1
379 . 1 . 1 197 197 ILE CD1 C 13 14.0134 0.0000 . 1 . . . . . 197 ILE CD1 . 52364 1
380 . 1 . 1 204 204 ILE HD11 H 1 0.7498 0.0000 . 1 . . . . . 204 ILE HD11 . 52364 1
381 . 1 . 1 204 204 ILE HD12 H 1 0.7498 0.0000 . 1 . . . . . 204 ILE HD11 . 52364 1
382 . 1 . 1 204 204 ILE HD13 H 1 0.7498 0.0000 . 1 . . . . . 204 ILE HD11 . 52364 1
383 . 1 . 1 204 204 ILE CD1 C 13 12.9191 0.0000 . 1 . . . . . 204 ILE CD1 . 52364 1
384 . 1 . 1 205 205 ALA HB1 H 1 1.3757 0.0000 . 1 . . . . . 205 ALA HB1 . 52364 1
385 . 1 . 1 205 205 ALA HB2 H 1 1.3757 0.0000 . 1 . . . . . 205 ALA HB1 . 52364 1
386 . 1 . 1 205 205 ALA HB3 H 1 1.3757 0.0000 . 1 . . . . . 205 ALA HB1 . 52364 1
387 . 1 . 1 205 205 ALA CB C 13 19.0908 0.0000 . 1 . . . . . 205 ALA CB . 52364 1
388 . 1 . 1 206 206 LEU HD11 H 1 0.6676 0.0000 . 2 . . . . . 206 LEU HD11 . 52364 1
389 . 1 . 1 206 206 LEU HD12 H 1 0.6676 0.0000 . 2 . . . . . 206 LEU HD11 . 52364 1
390 . 1 . 1 206 206 LEU HD13 H 1 0.6676 0.0000 . 2 . . . . . 206 LEU HD11 . 52364 1
391 . 1 . 1 206 206 LEU HD21 H 1 0.7055 0.0000 . 2 . . . . . 206 LEU HD21 . 52364 1
392 . 1 . 1 206 206 LEU HD22 H 1 0.7055 0.0000 . 2 . . . . . 206 LEU HD21 . 52364 1
393 . 1 . 1 206 206 LEU HD23 H 1 0.7055 0.0000 . 2 . . . . . 206 LEU HD21 . 52364 1
394 . 1 . 1 206 206 LEU CD1 C 13 25.3117 0.0000 . 1 . . . . . 206 LEU CD1 . 52364 1
395 . 1 . 1 206 206 LEU CD2 C 13 25.0763 0.0000 . 1 . . . . . 206 LEU CD2 . 52364 1
396 . 1 . 1 208 208 VAL HG11 H 1 0.8167 0.0000 . 2 . . . . . 208 VAL HG11 . 52364 1
397 . 1 . 1 208 208 VAL HG12 H 1 0.8167 0.0000 . 2 . . . . . 208 VAL HG11 . 52364 1
398 . 1 . 1 208 208 VAL HG13 H 1 0.8167 0.0000 . 2 . . . . . 208 VAL HG11 . 52364 1
399 . 1 . 1 208 208 VAL HG21 H 1 0.7111 0.0000 . 2 . . . . . 208 VAL HG21 . 52364 1
400 . 1 . 1 208 208 VAL HG22 H 1 0.7111 0.0000 . 2 . . . . . 208 VAL HG21 . 52364 1
401 . 1 . 1 208 208 VAL HG23 H 1 0.7111 0.0000 . 2 . . . . . 208 VAL HG21 . 52364 1
402 . 1 . 1 208 208 VAL CG1 C 13 20.5339 0.0000 . 1 . . . . . 208 VAL CG1 . 52364 1
403 . 1 . 1 208 208 VAL CG2 C 13 21.4423 0.0000 . 1 . . . . . 208 VAL CG2 . 52364 1
404 . 1 . 1 210 210 ILE HD11 H 1 0.8104 0.0000 . 1 . . . . . 210 ILE HD11 . 52364 1
405 . 1 . 1 210 210 ILE HD12 H 1 0.8104 0.0000 . 1 . . . . . 210 ILE HD11 . 52364 1
406 . 1 . 1 210 210 ILE HD13 H 1 0.8104 0.0000 . 1 . . . . . 210 ILE HD11 . 52364 1
407 . 1 . 1 210 210 ILE CD1 C 13 13.5804 0.0000 . 1 . . . . . 210 ILE CD1 . 52364 1
stop_
save_