###################################
# 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 21100
_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 $chemical_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
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21100 1
3 '2D 1H-15N HSQC' 1 $sample_1 isotropic 21100 1
4 '2D 1H-13C HSQC' 1 $sample_1 isotropic 21100 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
2 $CCPNMR . . 21100 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 LYS HA H 1 3.79 . . 1 . . . . . 1 Lys HA . 21100 1
2 . 1 . 1 1 1 LYS HB2 H 1 1.96 . . 2 . . . . . 1 Lys HB2 . 21100 1
3 . 1 . 1 1 1 LYS HB3 H 1 1.98 . . 2 . . . . . 1 Lys HB3 . 21100 1
4 . 1 . 1 1 1 LYS HD2 H 1 1.88 . . 2 . . . . . 1 Lys HD2 . 21100 1
5 . 1 . 1 1 1 LYS HD3 H 1 1.88 . . 2 . . . . . 1 Lys HD3 . 21100 1
6 . 1 . 1 1 1 LYS HE2 H 1 3.20 . . 2 . . . . . 1 Lys HE2 . 21100 1
7 . 1 . 1 1 1 LYS HE3 H 1 3.20 . . 2 . . . . . 1 Lys HE3 . 21100 1
8 . 1 . 1 1 1 LYS HG2 H 1 1.65 . . 2 . . . . . 1 Lys HG2 . 21100 1
9 . 1 . 1 1 1 LYS HG3 H 1 1.65 . . 2 . . . . . 1 Lys HG3 . 21100 1
10 . 1 . 1 1 1 LYS CA C 13 56.95 . . 1 . . . . . 1 Lys CA . 21100 1
11 . 1 . 1 1 1 LYS CB C 13 31.61 . . 1 . . . . . 1 Lys CB . 21100 1
12 . 1 . 1 1 1 LYS CD C 13 29.27 . . 1 . . . . . 1 Lys CD . 21100 1
13 . 1 . 1 1 1 LYS CE C 13 42.3 . . 1 . . . . . 1 Lys CE . 21100 1
14 . 1 . 1 1 1 LYS CG C 13 24.63 . . 1 . . . . . 1 Lys CG . 21100 1
15 . 1 . 1 2 2 ILE H H 1 7.95 . . 1 . . . . . 2 Ile H . 21100 1
16 . 1 . 1 2 2 ILE HA H 1 4.36 . . 1 . . . . . 2 Ile HA . 21100 1
17 . 1 . 1 2 2 ILE HB H 1 2.01 . . 1 . . . . . 2 Ile HB . 21100 1
18 . 1 . 1 2 2 ILE HD11 H 1 1.06 . . 1 . . . . . 2 Ile HD . 21100 1
19 . 1 . 1 2 2 ILE HD12 H 1 1.06 . . 1 . . . . . 2 Ile HD . 21100 1
20 . 1 . 1 2 2 ILE HD13 H 1 1.06 . . 1 . . . . . 2 Ile HD . 21100 1
21 . 1 . 1 2 2 ILE HG12 H 1 1.69 . . 2 . . . . . 2 Ile HG12 . 21100 1
22 . 1 . 1 2 2 ILE HG13 H 1 1.35 . . 2 . . . . . 2 Ile HG13 . 21100 1
23 . 1 . 1 2 2 ILE HG21 H 1 1.08 . . 1 . . . . . 2 Ile HG2 . 21100 1
24 . 1 . 1 2 2 ILE HG22 H 1 1.08 . . 1 . . . . . 2 Ile HG2 . 21100 1
25 . 1 . 1 2 2 ILE HG23 H 1 1.08 . . 1 . . . . . 2 Ile HG2 . 21100 1
26 . 1 . 1 2 2 ILE CA C 13 61.17 . . 1 . . . . . 2 Ile CA . 21100 1
27 . 1 . 1 2 2 ILE CB C 13 39.39 . . 1 . . . . . 2 Ile CB . 21100 1
28 . 1 . 1 2 2 ILE CD1 C 13 12.4 . . 1 . . . . . 2 Ile CD . 21100 1
29 . 1 . 1 2 2 ILE CG1 C 13 27.24 . . 1 . . . . . 2 Ile CG1 . 21100 1
30 . 1 . 1 2 2 ILE CG2 C 13 17.03 . . 1 . . . . . 2 Ile CG2 . 21100 1
31 . 1 . 1 3 3 LYS H H 1 8.23 . . 1 . . . . . 3 Lys H . 21100 1
32 . 1 . 1 3 3 LYS HA H 1 4.59 . . 1 . . . . . 3 Lys HA . 21100 1
33 . 1 . 1 3 3 LYS HB2 H 1 1.97 . . 2 . . . . . 3 Lys HB2 . 21100 1
34 . 1 . 1 3 3 LYS HB3 H 1 1.88 . . 2 . . . . . 3 Lys HB3 . 21100 1
35 . 1 . 1 3 3 LYS HD2 H 1 1.88 . . 2 . . . . . 3 Lys HD2 . 21100 1
36 . 1 . 1 3 3 LYS HD3 H 1 1.88 . . 2 . . . . . 3 Lys HD3 . 21100 1
37 . 1 . 1 3 3 LYS HE2 H 1 3.17 . . 2 . . . . . 3 Lys HE2 . 21100 1
38 . 1 . 1 3 3 LYS HE3 H 1 3.17 . . 2 . . . . . 3 Lys HE3 . 21100 1
39 . 1 . 1 3 3 LYS HG2 H 1 1.53 . . 2 . . . . . 3 Lys HG2 . 21100 1
40 . 1 . 1 3 3 LYS HG3 H 1 1.64 . . 2 . . . . . 3 Lys HG3 . 21100 1
41 . 1 . 1 3 3 LYS CA C 13 55.87 . . 1 . . . . . 3 Lys CA . 21100 1
42 . 1 . 1 3 3 LYS CB C 13 33.07 . . 1 . . . . . 3 Lys CB . 21100 1
43 . 1 . 1 3 3 LYS CD C 13 29.18 . . 1 . . . . . 3 Lys CD . 21100 1
44 . 1 . 1 3 3 LYS CE C 13 42.27 . . 1 . . . . . 3 Lys CE . 21100 1
45 . 1 . 1 3 3 LYS CG C 13 24.75 . . 1 . . . . . 3 Lys CG . 21100 1
46 . 1 . 1 3 3 LYS N N 15 126.36 . . 1 . . . . . 3 Lys N . 21100 1
47 . 1 . 1 4 4 ILE H H 1 7.83 . . 1 . . . . . 4 Ile H . 21100 1
48 . 1 . 1 4 4 ILE HA H 1 4.47 . . 1 . . . . . 4 Ile HA . 21100 1
49 . 1 . 1 4 4 ILE HB H 1 1.64 . . 1 . . . . . 4 Ile HB . 21100 1
50 . 1 . 1 4 4 ILE HD11 H 1 0.88 . . 1 . . . . . 4 Ile HD . 21100 1
51 . 1 . 1 4 4 ILE HD12 H 1 0.88 . . 1 . . . . . 4 Ile HD . 21100 1
52 . 1 . 1 4 4 ILE HD13 H 1 0.88 . . 1 . . . . . 4 Ile HD . 21100 1
53 . 1 . 1 4 4 ILE HG12 H 1 1.17 . . 2 . . . . . 4 Ile HG12 . 21100 1
54 . 1 . 1 4 4 ILE HG13 H 1 1.52 . . 2 . . . . . 4 Ile HG13 . 21100 1
55 . 1 . 1 4 4 ILE HG21 H 1 0.59 . . 1 . . . . . 4 Ile HG2 . 21100 1
56 . 1 . 1 4 4 ILE HG22 H 1 0.59 . . 1 . . . . . 4 Ile HG2 . 21100 1
57 . 1 . 1 4 4 ILE HG23 H 1 0.59 . . 1 . . . . . 4 Ile HG2 . 21100 1
58 . 1 . 1 4 4 ILE CA C 13 58.19 . . 1 . . . . . 4 Ile CA . 21100 1
59 . 1 . 1 4 4 ILE CB C 13 39.44 . . 1 . . . . . 4 Ile CB . 21100 1
60 . 1 . 1 4 4 ILE CD1 C 13 11.86 . . 1 . . . . . 4 Ile CD . 21100 1
61 . 1 . 1 4 4 ILE CG1 C 13 26.97 . . 1 . . . . . 4 Ile CG1 . 21100 1
62 . 1 . 1 4 4 ILE CG2 C 13 16.09 . . 1 . . . . . 4 Ile CG2 . 21100 1
63 . 1 . 1 5 5 PRO HA H 1 4.76 . . 1 . . . . . 5 Pro HA . 21100 1
64 . 1 . 1 5 5 PRO HB2 H 1 2.32 . . 2 . . . . . 5 Pro HB2 . 21100 1
65 . 1 . 1 5 5 PRO HB3 H 1 2.23 . . 2 . . . . . 5 Pro HB3 . 21100 1
66 . 1 . 1 5 5 PRO HD2 H 1 3.59 . . 2 . . . . . 5 Pro HD2 . 21100 1
67 . 1 . 1 5 5 PRO HD3 H 1 3.96 . . 2 . . . . . 5 Pro HD3 . 21100 1
68 . 1 . 1 5 5 PRO HG2 H 1 2.17 . . 2 . . . . . 5 Pro HG2 . 21100 1
69 . 1 . 1 5 5 PRO HG3 H 1 2.17 . . 2 . . . . . 5 Pro HG3 . 21100 1
70 . 1 . 1 5 5 PRO CB C 13 30.4 . . 1 . . . . . 5 Pro CB . 21100 1
71 . 1 . 1 5 5 PRO CD C 13 50.61 . . 1 . . . . . 5 Pro CD . 21100 1
72 . 1 . 1 5 5 PRO CG C 13 27.17 . . 1 . . . . . 5 Pro CG . 21100 1
73 . 1 . 1 6 6 TRP H H 1 8.06 . . 1 . . . . . 6 Trp H . 21100 1
74 . 1 . 1 6 6 TRP HA H 1 4.64 . . 1 . . . . . 6 Trp HA . 21100 1
75 . 1 . 1 6 6 TRP HB2 H 1 3.48 . . 2 . . . . . 6 Trp HB2 . 21100 1
76 . 1 . 1 6 6 TRP HB3 H 1 3.46 . . 2 . . . . . 6 Trp HB3 . 21100 1
77 . 1 . 1 6 6 TRP HD1 H 1 7.46 . . 1 . . . . . 6 Trp HD1 . 21100 1
78 . 1 . 1 6 6 TRP HE1 H 1 9.99 . . 1 . . . . . 6 Trp HE1 . 21100 1
79 . 1 . 1 6 6 TRP HE3 H 1 7.72 . . 1 . . . . . 6 Trp HE3 . 21100 1
80 . 1 . 1 6 6 TRP HH2 H 1 7.38 . . 1 . . . . . 6 Trp HH2 . 21100 1
81 . 1 . 1 6 6 TRP HZ2 H 1 7.28 . . 1 . . . . . 6 Trp HZ2 . 21100 1
82 . 1 . 1 6 6 TRP HZ3 H 1 7.63 . . 1 . . . . . 6 Trp HZ3 . 21100 1
83 . 1 . 1 6 6 TRP CA C 13 59.63 . . 1 . . . . . 6 Trp CA . 21100 1
84 . 1 . 1 6 6 TRP CB C 13 29.62 . . 1 . . . . . 6 Trp CB . 21100 1
85 . 1 . 1 6 6 TRP CD1 C 13 127.08 . . 1 . . . . . 6 Trp CD1 . 21100 1
86 . 1 . 1 6 6 TRP CE3 C 13 120.49 . . 1 . . . . . 6 Trp CE3 . 21100 1
87 . 1 . 1 6 6 TRP CH2 C 13 124.69 . . 1 . . . . . 6 Trp CH2 . 21100 1
88 . 1 . 1 6 6 TRP CZ2 C 13 114.57 . . 1 . . . . . 6 Trp CZ2 . 21100 1
89 . 1 . 1 6 6 TRP CZ3 C 13 121.96 . . 1 . . . . . 6 Trp CZ3 . 21100 1
90 . 1 . 1 6 6 TRP N N 15 123.84 . . 1 . . . . . 6 Trp N . 21100 1
91 . 1 . 1 6 6 TRP NE1 N 15 128.36 . . 1 . . . . . 6 Trp NE1 . 21100 1
92 . 1 . 1 7 7 GLY H H 1 8.59 . . 1 . . . . . 7 Gly H . 21100 1
93 . 1 . 1 7 7 GLY HA2 H 1 3.96 . . 2 . . . . . 7 Gly HA2 . 21100 1
94 . 1 . 1 7 7 GLY HA3 H 1 4.02 . . 2 . . . . . 7 Gly HA3 . 21100 1
95 . 1 . 1 7 7 GLY CA C 13 46.76 . . 1 . . . . . 7 Gly CA . 21100 1
96 . 1 . 1 7 7 GLY N N 15 106.29 . . 1 . . . . . 7 Gly N . 21100 1
97 . 1 . 1 8 8 LYS H H 1 7.85 . . 1 . . . . . 8 Lys H . 21100 1
98 . 1 . 1 8 8 LYS HA H 1 4.58 . . 1 . . . . . 8 Lys HA . 21100 1
99 . 1 . 1 8 8 LYS HB2 H 1 2.06 . . 2 . . . . . 8 Lys HB2 . 21100 1
100 . 1 . 1 8 8 LYS HB3 H 1 2.13 . . 2 . . . . . 8 Lys HB3 . 21100 1
101 . 1 . 1 8 8 LYS HD2 H 1 1.91 . . 2 . . . . . 8 Lys HD2 . 21100 1
102 . 1 . 1 8 8 LYS HD3 H 1 1.91 . . 2 . . . . . 8 Lys HD3 . 21100 1
103 . 1 . 1 8 8 LYS HE2 H 1 3.15 . . 2 . . . . . 8 Lys HE2 . 21100 1
104 . 1 . 1 8 8 LYS HE3 H 1 3.15 . . 2 . . . . . 8 Lys HE3 . 21100 1
105 . 1 . 1 8 8 LYS HG2 H 1 1.68 . . 2 . . . . . 8 Lys HG2 . 21100 1
106 . 1 . 1 8 8 LYS HG3 H 1 1.68 . . 2 . . . . . 8 Lys HG3 . 21100 1
107 . 1 . 1 8 8 LYS CA C 13 57 . . 1 . . . . . 8 Lys CA . 21100 1
108 . 1 . 1 8 8 LYS CB C 13 32.38 . . 1 . . . . . 8 Lys CB . 21100 1
109 . 1 . 1 8 8 LYS CD C 13 28.45 . . 1 . . . . . 8 Lys CD . 21100 1
110 . 1 . 1 8 8 LYS CE C 13 42.15 . . 1 . . . . . 8 Lys CE . 21100 1
111 . 1 . 1 8 8 LYS CG C 13 24.58 . . 1 . . . . . 8 Lys CG . 21100 1
112 . 1 . 1 8 8 LYS N N 15 120.03 . . 1 . . . . . 8 Lys N . 21100 1
113 . 1 . 1 9 9 VAL H H 1 7.77 . . 1 . . . . . 9 Val H . 21100 1
114 . 1 . 1 9 9 VAL HA H 1 3.92 . . 1 . . . . . 9 Val HA . 21100 1
115 . 1 . 1 9 9 VAL HB H 1 2.38 . . 1 . . . . . 9 Val HB . 21100 1
116 . 1 . 1 9 9 VAL HG11 H 1 1.14 . . 2 . . . . . 9 Val HG1 . 21100 1
117 . 1 . 1 9 9 VAL HG12 H 1 1.14 . . 2 . . . . . 9 Val HG1 . 21100 1
118 . 1 . 1 9 9 VAL HG13 H 1 1.14 . . 2 . . . . . 9 Val HG1 . 21100 1
119 . 1 . 1 9 9 VAL HG21 H 1 1.18 . . 2 . . . . . 9 Val HG2 . 21100 1
120 . 1 . 1 9 9 VAL HG22 H 1 1.18 . . 2 . . . . . 9 Val HG2 . 21100 1
121 . 1 . 1 9 9 VAL HG23 H 1 1.18 . . 2 . . . . . 9 Val HG2 . 21100 1
122 . 1 . 1 9 9 VAL CA C 13 66.3 . . 1 . . . . . 9 Val CA . 21100 1
123 . 1 . 1 9 9 VAL CB C 13 32.05 . . 1 . . . . . 9 Val CB . 21100 1
124 . 1 . 1 9 9 VAL CG1 C 13 21.67 . . 2 . . . . . 9 Val CG1 . 21100 1
125 . 1 . 1 9 9 VAL CG2 C 13 20.58 . . 2 . . . . . 9 Val CG2 . 21100 1
126 . 1 . 1 9 9 VAL N N 15 120.86 . . 1 . . . . . 9 Val N . 21100 1
127 . 1 . 1 10 10 LYS H H 1 8.26 . . 1 . . . . . 10 Lys H . 21100 1
128 . 1 . 1 10 10 LYS HA H 1 4.11 . . 1 . . . . . 10 Lys HA . 21100 1
129 . 1 . 1 10 10 LYS HB2 H 1 1.86 . . 2 . . . . . 10 Lys HB2 . 21100 1
130 . 1 . 1 10 10 LYS HB3 H 1 1.97 . . 2 . . . . . 10 Lys HB3 . 21100 1
131 . 1 . 1 10 10 LYS HD2 H 1 1.85 . . 2 . . . . . 10 Lys HD2 . 21100 1
132 . 1 . 1 10 10 LYS HD3 H 1 1.85 . . 2 . . . . . 10 Lys HD3 . 21100 1
133 . 1 . 1 10 10 LYS HE2 H 1 3.15 . . 2 . . . . . 10 Lys HE2 . 21100 1
134 . 1 . 1 10 10 LYS HE3 H 1 3.15 . . 2 . . . . . 10 Lys HE3 . 21100 1
135 . 1 . 1 10 10 LYS HG2 H 1 1.60 . . 2 . . . . . 10 Lys HG2 . 21100 1
136 . 1 . 1 10 10 LYS HG3 H 1 1.66 . . 2 . . . . . 10 Lys HG3 . 21100 1
137 . 1 . 1 10 10 LYS CA C 13 60.07 . . 1 . . . . . 10 Lys CA . 21100 1
138 . 1 . 1 10 10 LYS CB C 13 35.81 . . 1 . . . . . 10 Lys CB . 21100 1
139 . 1 . 1 10 10 LYS CD C 13 29.41 . . 1 . . . . . 10 Lys CD . 21100 1
140 . 1 . 1 10 10 LYS CE C 13 42.16 . . 1 . . . . . 10 Lys CE . 21100 1
141 . 1 . 1 10 10 LYS CG C 13 24.6 . . 1 . . . . . 10 Lys CG . 21100 1
142 . 1 . 1 10 10 LYS N N 15 119.91 . . 1 . . . . . 10 Lys N . 21100 1
143 . 1 . 1 11 11 ASP H H 1 7.87 . . 1 . . . . . 11 Asp H . 21100 1
144 . 1 . 1 11 11 ASP HA H 1 4.56 . . 1 . . . . . 11 Asp HA . 21100 1
145 . 1 . 1 11 11 ASP HB2 H 1 2.80 . . 2 . . . . . 11 Asp HB2 . 21100 1
146 . 1 . 1 11 11 ASP HB3 H 1 2.93 . . 2 . . . . . 11 Asp HB3 . 21100 1
147 . 1 . 1 11 11 ASP CA C 13 57.29 . . 1 . . . . . 11 Asp CA . 21100 1
148 . 1 . 1 11 11 ASP CB C 13 40.5 . . 1 . . . . . 11 Asp CB . 21100 1
149 . 1 . 1 11 11 ASP N N 15 118.66 . . 1 . . . . . 11 Asp N . 21100 1
150 . 1 . 1 12 12 PHE H H 1 8.16 . . 1 . . . . . 12 Phe H . 21100 1
151 . 1 . 1 12 12 PHE HA H 1 4.55 . . 1 . . . . . 12 Phe HA . 21100 1
152 . 1 . 1 12 12 PHE HB2 H 1 3.49 . . 2 . . . . . 12 Phe HB2 . 21100 1
153 . 1 . 1 12 12 PHE HB3 H 1 3.42 . . 2 . . . . . 12 Phe HB3 . 21100 1
154 . 1 . 1 12 12 PHE HD1 H 1 7.4 . . 3 . . . . . 12 Phe HD . 21100 1
155 . 1 . 1 12 12 PHE HD2 H 1 7.4 . . 3 . . . . . 12 Phe HD . 21100 1
156 . 1 . 1 12 12 PHE HE1 H 1 7.46 . . 3 . . . . . 12 Phe HE . 21100 1
157 . 1 . 1 12 12 PHE HE2 H 1 7.46 . . 3 . . . . . 12 Phe HE . 21100 1
158 . 1 . 1 12 12 PHE HZ H 1 7.42 . . 1 . . . . . 12 Phe HZ . 21100 1
159 . 1 . 1 12 12 PHE CA C 13 60.46 . . 1 . . . . . 12 Phe CA . 21100 1
160 . 1 . 1 12 12 PHE CB C 13 39.17 . . 1 . . . . . 12 Phe CB . 21100 1
161 . 1 . 1 12 12 PHE CD1 C 13 131.69 . . 3 . . . . . 12 Phe CD . 21100 1
162 . 1 . 1 12 12 PHE CD2 C 13 131.69 . . 3 . . . . . 12 Phe CD . 21100 1
163 . 1 . 1 12 12 PHE CE1 C 13 131.12 . . 3 . . . . . 12 Phe CE . 21100 1
164 . 1 . 1 12 12 PHE CE2 C 13 131.12 . . 3 . . . . . 12 Phe CE . 21100 1
165 . 1 . 1 12 12 PHE CZ C 13 129.67 . . 1 . . . . . 12 Phe CZ . 21100 1
166 . 1 . 1 12 12 PHE N N 15 121.24 . . 1 . . . . . 12 Phe N . 21100 1
167 . 1 . 1 13 13 LEU H H 1 8.54 . . 1 . . . . . 13 Leu H . 21100 1
168 . 1 . 1 13 13 LEU HA H 1 4.28 . . 1 . . . . . 13 Leu HA . 21100 1
169 . 1 . 1 13 13 LEU HB2 H 1 2.14 . . 2 . . . . . 13 Leu HB2 . 21100 1
170 . 1 . 1 13 13 LEU HB3 H 1 1.72 . . 2 . . . . . 13 Leu HB3 . 21100 1
171 . 1 . 1 13 13 LEU HD11 H 1 1.11 . . 2 . . . . . 13 Leu HD1 . 21100 1
172 . 1 . 1 13 13 LEU HD12 H 1 1.11 . . 2 . . . . . 13 Leu HD1 . 21100 1
173 . 1 . 1 13 13 LEU HD13 H 1 1.11 . . 2 . . . . . 13 Leu HD1 . 21100 1
174 . 1 . 1 13 13 LEU HD21 H 1 1.11 . . 2 . . . . . 13 Leu HD2 . 21100 1
175 . 1 . 1 13 13 LEU HD22 H 1 1.11 . . 2 . . . . . 13 Leu HD2 . 21100 1
176 . 1 . 1 13 13 LEU HD23 H 1 1.11 . . 2 . . . . . 13 Leu HD2 . 21100 1
177 . 1 . 1 13 13 LEU HG H 1 2.13 . . 1 . . . . . 13 Leu HG . 21100 1
178 . 1 . 1 13 13 LEU CA C 13 57.77 . . 1 . . . . . 13 Leu CA . 21100 1
179 . 1 . 1 13 13 LEU CB C 13 42.26 . . 1 . . . . . 13 Leu CB . 21100 1
180 . 1 . 1 13 13 LEU CD1 C 13 22.20 . . 2 . . . . . 13 Leu CD1 . 21100 1
181 . 1 . 1 13 13 LEU CD2 C 13 24.90 . . 2 . . . . . 13 Leu CD2 . 21100 1
182 . 1 . 1 13 13 LEU CG C 13 26.83 . . 1 . . . . . 13 Leu CG . 21100 1
183 . 1 . 1 13 13 LEU N N 15 121.57 . . 1 . . . . . 13 Leu N . 21100 1
184 . 1 . 1 14 14 VAL H H 1 8.48 . . 1 . . . . . 14 Val H . 21100 1
185 . 1 . 1 14 14 VAL HA H 1 4.11 . . 1 . . . . . 14 Val HA . 21100 1
186 . 1 . 1 14 14 VAL HB H 1 2.38 . . 1 . . . . . 14 Val HB . 21100 1
187 . 1 . 1 14 14 VAL HG11 H 1 1.24 . . 2 . . . . . 14 Val HG1 . 21100 1
188 . 1 . 1 14 14 VAL HG12 H 1 1.24 . . 2 . . . . . 14 Val HG1 . 21100 1
189 . 1 . 1 14 14 VAL HG13 H 1 1.24 . . 2 . . . . . 14 Val HG1 . 21100 1
190 . 1 . 1 14 14 VAL HG21 H 1 1.14 . . 2 . . . . . 14 Val HG2 . 21100 1
191 . 1 . 1 14 14 VAL HG22 H 1 1.14 . . 2 . . . . . 14 Val HG2 . 21100 1
192 . 1 . 1 14 14 VAL HG23 H 1 1.14 . . 2 . . . . . 14 Val HG2 . 21100 1
193 . 1 . 1 14 14 VAL CA C 13 65.05 . . 1 . . . . . 14 Val CA . 21100 1
194 . 1 . 1 14 14 VAL CB C 13 32.05 . . 1 . . . . . 14 Val CB . 21100 1
195 . 1 . 1 14 14 VAL CG1 C 13 20.81 . . 2 . . . . . 14 Val CG1 . 21100 1
196 . 1 . 1 14 14 VAL CG2 C 13 21.51 . . 2 . . . . . 14 Val CG2 . 21100 1
197 . 1 . 1 14 14 VAL N N 15 117.96 . . 1 . . . . . 14 Val N . 21100 1
198 . 1 . 1 15 15 GLY H H 1 8.2 . . 1 . . . . . 15 Gly H . 21100 1
199 . 1 . 1 15 15 GLY HA2 H 1 4.08 . . 2 . . . . . 15 Gly HA2 . 21100 1
200 . 1 . 1 15 15 GLY HA3 H 1 4.01 . . 2 . . . . . 15 Gly HA3 . 21100 1
201 . 1 . 1 15 15 GLY CA C 13 46.05 . . 1 . . . . . 15 Gly CA . 21100 1
202 . 1 . 1 15 15 GLY N N 15 109.47 . . 1 . . . . . 15 Gly N . 21100 1
203 . 1 . 1 16 16 GLY H H 1 8.2 . . 1 . . . . . 16 Gly H . 21100 1
204 . 1 . 1 16 16 GLY HA2 H 1 4.06 . . 2 . . . . . 16 Gly HA2 . 21100 1
205 . 1 . 1 16 16 GLY HA3 H 1 4.12 . . 2 . . . . . 16 Gly HA3 . 21100 1
206 . 1 . 1 16 16 GLY CA C 13 46.34 . . 1 . . . . . 16 Gly CA . 21100 1
207 . 1 . 1 16 16 GLY N N 15 108.48 . . 1 . . . . . 16 Gly N . 21100 1
208 . 1 . 1 17 17 MET H H 1 8.2 . . 1 . . . . . 17 Met H . 21100 1
209 . 1 . 1 17 17 MET HA H 1 4.49 . . 1 . . . . . 17 Met HA . 21100 1
210 . 1 . 1 17 17 MET HB2 H 1 2.85 . . 2 . . . . . 17 Met HB2 . 21100 1
211 . 1 . 1 17 17 MET HB3 H 1 2.73 . . 2 . . . . . 17 Met HB3 . 21100 1
212 . 1 . 1 17 17 MET HE1 H 1 2.24 . . 1 . . . . . 17 Met HE . 21100 1
213 . 1 . 1 17 17 MET HE2 H 1 2.24 . . 1 . . . . . 17 Met HE . 21100 1
214 . 1 . 1 17 17 MET HE3 H 1 2.24 . . 1 . . . . . 17 Met HE . 21100 1
215 . 1 . 1 17 17 MET HG2 H 1 2.31 . . 2 . . . . . 17 Met HG2 . 21100 1
216 . 1 . 1 17 17 MET HG3 H 1 2.31 . . 2 . . . . . 17 Met HG3 . 21100 1
217 . 1 . 1 17 17 MET CA C 13 57.11 . . 1 . . . . . 17 Met CA . 21100 1
218 . 1 . 1 17 17 MET CB C 13 32.25 . . 1 . . . . . 17 Met CB . 21100 1
219 . 1 . 1 17 17 MET CE C 13 16.3 . . 1 . . . . . 17 Met CE . 21100 1
220 . 1 . 1 17 17 MET CG C 13 32.27 . . 1 . . . . . 17 Met CG . 21100 1
221 . 1 . 1 17 17 MET N N 15 120.46 . . 1 . . . . . 17 Met N . 21100 1
222 . 1 . 1 18 18 LYS H H 1 8.13 . . 1 . . . . . 18 Lys H . 21100 1
223 . 1 . 1 18 18 LYS HA H 1 4.39 . . 1 . . . . . 18 Lys HA . 21100 1
224 . 1 . 1 18 18 LYS HB2 H 1 2.05 . . 2 . . . . . 18 Lys HB2 . 21100 1
225 . 1 . 1 18 18 LYS HB3 H 1 2.05 . . 2 . . . . . 18 Lys HB3 . 21100 1
226 . 1 . 1 18 18 LYS HD2 H 1 1.88 . . 2 . . . . . 18 Lys HD2 . 21100 1
227 . 1 . 1 18 18 LYS HD3 H 1 1.88 . . 2 . . . . . 18 Lys HD3 . 21100 1
228 . 1 . 1 18 18 LYS HE2 H 1 3.16 . . 2 . . . . . 18 Lys HE2 . 21100 1
229 . 1 . 1 18 18 LYS HE3 H 1 3.16 . . 2 . . . . . 18 Lys HE3 . 21100 1
230 . 1 . 1 18 18 LYS HG2 H 1 1.65 . . 2 . . . . . 18 Lys HG2 . 21100 1
231 . 1 . 1 18 18 LYS HG3 H 1 1.70 . . 2 . . . . . 18 Lys HG3 . 21100 1
232 . 1 . 1 18 18 LYS CA C 13 57.36 . . 1 . . . . . 18 Lys CA . 21100 1
233 . 1 . 1 18 18 LYS CB C 13 32.64 . . 1 . . . . . 18 Lys CB . 21100 1
234 . 1 . 1 18 18 LYS CD C 13 29.18 . . 1 . . . . . 18 Lys CD . 21100 1
235 . 1 . 1 18 18 LYS CE C 13 42.27 . . 1 . . . . . 18 Lys CE . 21100 1
236 . 1 . 1 18 18 LYS CG C 13 24.66 . . 1 . . . . . 18 Lys CG . 21100 1
237 . 1 . 1 18 18 LYS N N 15 120.19 . . 1 . . . . . 18 Lys N . 21100 1
238 . 1 . 1 19 19 ALA H H 1 8 . . 1 . . . . . 19 Ala H . 21100 1
239 . 1 . 1 19 19 ALA HA H 1 4.48 . . 1 . . . . . 19 Ala HA . 21100 1
240 . 1 . 1 19 19 ALA HB1 H 1 1.62 . . 1 . . . . . 19 Ala HB . 21100 1
241 . 1 . 1 19 19 ALA HB2 H 1 1.62 . . 1 . . . . . 19 Ala HB . 21100 1
242 . 1 . 1 19 19 ALA HB3 H 1 1.62 . . 1 . . . . . 19 Ala HB . 21100 1
243 . 1 . 1 19 19 ALA CA C 13 53.26 . . 1 . . . . . 19 Ala CA . 21100 1
244 . 1 . 1 19 19 ALA CB C 13 18.92 . . 1 . . . . . 19 Ala CB . 21100 1
245 . 1 . 1 19 19 ALA N N 15 122.8 . . 1 . . . . . 19 Ala N . 21100 1
246 . 1 . 1 20 20 VAL H H 1 7.73 . . 1 . . . . . 20 Val H . 21100 1
247 . 1 . 1 20 20 VAL HA H 1 4.27 . . 1 . . . . . 20 Val HA . 21100 1
248 . 1 . 1 20 20 VAL HB H 1 2.34 . . 1 . . . . . 20 Val HB . 21100 1
249 . 1 . 1 20 20 VAL HG11 H 1 1.17 . . 2 . . . . . 20 Val HG1 . 21100 1
250 . 1 . 1 20 20 VAL HG12 H 1 1.17 . . 2 . . . . . 20 Val HG1 . 21100 1
251 . 1 . 1 20 20 VAL HG13 H 1 1.17 . . 2 . . . . . 20 Val HG1 . 21100 1
252 . 1 . 1 20 20 VAL HG21 H 1 1.17 . . 2 . . . . . 20 Val HG2 . 21100 1
253 . 1 . 1 20 20 VAL HG22 H 1 1.17 . . 2 . . . . . 20 Val HG2 . 21100 1
254 . 1 . 1 20 20 VAL HG23 H 1 1.17 . . 2 . . . . . 20 Val HG2 . 21100 1
255 . 1 . 1 20 20 VAL CA C 13 62.51 . . 1 . . . . . 20 Val CA . 21100 1
256 . 1 . 1 20 20 VAL CB C 13 32.72 . . 1 . . . . . 20 Val CB . 21100 1
257 . 1 . 1 20 20 VAL CG1 C 13 20.06 . . 2 . . . . . 20 Val CG1 . 21100 1
258 . 1 . 1 20 20 VAL CG2 C 13 20.80 . . 2 . . . . . 20 Val CG2 . 21100 1
259 . 1 . 1 20 20 VAL N N 15 116.97 . . 1 . . . . . 20 Val N . 21100 1
260 . 1 . 1 21 21 NH2 HN1 H 1 7.44 . . 2 . . . . . 21 Nh2 HN1 . 21100 1
261 . 1 . 1 21 21 NH2 HN2 H 1 6.96 . . 2 . . . . . 21 Nh2 HN2 . 21100 1
262 . 1 . 1 21 21 NH2 N N 15 108.03 . . 1 . . . . . 21 Nh2 N . 21100 1
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