###################################
# 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_shift_set_for_molecule_W
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_for_molecule_W
_Assigned_chem_shift_list.Entry_ID 4963
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 'Resonances for the first two residues (GS), which were vector derived, were not observed in HN-detect experiments.'
_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 15N-hsqc . . . 4963 1
2 '13C-hsqc, aliphatic and aromatic regions' . . . 4963 1
3 HNCO . . . 4963 1
4 HNCaCb . . . 4963 1
5 (Hb)CbCa(CO)NNH . . . 4963 1
6 CCC-TOCSY-NNH . . . 4963 1
7 HCC-TOCSY-NNH . . . 4963 1
8 'HCCH-TOCSY (sample 2 only)' . . . 4963 1
9 'HCCH-COSY (sample 1 only)' . . . 4963 1
10 '(Hb)CbCa(CO) N CaHa (sample 2 only)' . . . 4963 1
11 'HaCa N (sample 2 only)' . . . 4963 1
12 '15N/13C-edited NOESY-HSQC, 50 ms and 150 ms' . . . 4963 1
13 HNHa-J . . . 4963 1
14 (Hb)Cb(CgCd)Hd . . . 4963 1
15 (Hb)Cb(CgCd)Ce)He . . . 4963 1
16 'HMBC (sample 1 only)' . . . 4963 1
17 'HNCOCa COHaCa cross (sample 2 only)' . . . 4963 1
18 'HNCOCa HNHa cross (sample 2 only)' . . . 4963 1
19 'HaCaHb-J (sample 2 only)' . . . 4963 1
20 'HN(CO)Hb (sample 1 only)' . . . 4963 1
21 'HNHb (sample 1 only)' . . . 4963 1
22 '13C F1-filtered, F3-edited NOESY-HSQC, 250 ms' . . . 4963 1
23 'long range Jcc (sample 1 only)' . . . 4963 1
24 'HNCO-trosy (sample 1 only)' . . . 4963 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.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY CA C 13 43.29 0.30 . 1 . . . . . . . . 4963 1
2 . 1 1 1 1 GLY HA3 H 1 3.87 0.02 . 1 . . . . . . . . 4963 1
3 . 1 1 1 1 GLY HA2 H 1 3.87 0.02 . 1 . . . . . . . . 4963 1
4 . 1 1 3 3 PRO N N 15 144.84 0.30 . 1 . . . . . . . . 4963 1
5 . 1 1 3 3 PRO CA C 13 63.26 0.30 . 1 . . . . . . . . 4963 1
6 . 1 1 3 3 PRO HA H 1 4.49 0.02 . 1 . . . . . . . . 4963 1
7 . 1 1 3 3 PRO CB C 13 31.98 0.30 . 1 . . . . . . . . 4963 1
8 . 1 1 3 3 PRO HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4963 1
9 . 1 1 3 3 PRO HB2 H 1 2.32 0.02 . 2 . . . . . . . . 4963 1
10 . 1 1 3 3 PRO CG C 13 27.30 0.30 . 1 . . . . . . . . 4963 1
11 . 1 1 3 3 PRO HG3 H 1 2.05 0.02 . 1 . . . . . . . . 4963 1
12 . 1 1 3 3 PRO HG2 H 1 2.05 0.02 . 1 . . . . . . . . 4963 1
13 . 1 1 3 3 PRO CD C 13 50.61 0.30 . 1 . . . . . . . . 4963 1
14 . 1 1 3 3 PRO HD3 H 1 3.76 0.02 . 2 . . . . . . . . 4963 1
15 . 1 1 3 3 PRO HD2 H 1 3.87 0.02 . 2 . . . . . . . . 4963 1
16 . 1 1 3 3 PRO C C 13 176.81 0.30 . 1 . . . . . . . . 4963 1
17 . 1 1 4 4 VAL N N 15 119.14 0.30 . 1 . . . . . . . . 4963 1
18 . 1 1 4 4 VAL H H 1 8.10 0.02 . 1 . . . . . . . . 4963 1
19 . 1 1 4 4 VAL CA C 13 62.04 0.30 . 1 . . . . . . . . 4963 1
20 . 1 1 4 4 VAL HA H 1 4.12 0.02 . 1 . . . . . . . . 4963 1
21 . 1 1 4 4 VAL CB C 13 32.63 0.30 . 1 . . . . . . . . 4963 1
22 . 1 1 4 4 VAL HB H 1 2.10 0.02 . 1 . . . . . . . . 4963 1
23 . 1 1 4 4 VAL CG2 C 13 20.25 0.30 . 2 . . . . . . . . 4963 1
24 . 1 1 4 4 VAL HG21 H 1 0.90 0.02 . 2 . . . . . . . . 4963 1
25 . 1 1 4 4 VAL HG22 H 1 0.90 0.02 . 2 . . . . . . . . 4963 1
26 . 1 1 4 4 VAL HG23 H 1 0.90 0.02 . 2 . . . . . . . . 4963 1
27 . 1 1 4 4 VAL CG1 C 13 21.05 0.30 . 2 . . . . . . . . 4963 1
28 . 1 1 4 4 VAL HG11 H 1 0.92 0.02 . 2 . . . . . . . . 4963 1
29 . 1 1 4 4 VAL HG12 H 1 0.92 0.02 . 2 . . . . . . . . 4963 1
30 . 1 1 4 4 VAL HG13 H 1 0.92 0.02 . 2 . . . . . . . . 4963 1
31 . 1 1 4 4 VAL C C 13 175.75 0.30 . 1 . . . . . . . . 4963 1
32 . 1 1 5 5 ASP N N 15 123.82 0.30 . 1 . . . . . . . . 4963 1
33 . 1 1 5 5 ASP H H 1 8.27 0.02 . 1 . . . . . . . . 4963 1
34 . 1 1 5 5 ASP CA C 13 53.99 0.30 . 1 . . . . . . . . 4963 1
35 . 1 1 5 5 ASP HA H 1 4.64 0.02 . 1 . . . . . . . . 4963 1
36 . 1 1 5 5 ASP CB C 13 41.30 0.30 . 1 . . . . . . . . 4963 1
37 . 1 1 5 5 ASP HB3 H 1 2.66 0.02 . 2 . . . . . . . . 4963 1
38 . 1 1 5 5 ASP HB2 H 1 2.74 0.02 . 2 . . . . . . . . 4963 1
39 . 1 1 5 5 ASP C C 13 176.25 0.30 . 1 . . . . . . . . 4963 1
40 . 1 1 6 6 SER N N 15 116.79 0.30 . 1 . . . . . . . . 4963 1
41 . 1 1 6 6 SER H H 1 8.27 0.02 . 1 . . . . . . . . 4963 1
42 . 1 1 6 6 SER CA C 13 58.55 0.30 . 1 . . . . . . . . 4963 1
43 . 1 1 6 6 SER HA H 1 4.38 0.02 . 1 . . . . . . . . 4963 1
44 . 1 1 6 6 SER CB C 13 63.45 0.30 . 1 . . . . . . . . 4963 1
45 . 1 1 6 6 SER HB3 H 1 3.85 0.02 . 2 . . . . . . . . 4963 1
46 . 1 1 6 6 SER HB2 H 1 3.91 0.02 . 2 . . . . . . . . 4963 1
47 . 1 1 6 6 SER C C 13 174.42 0.30 . 1 . . . . . . . . 4963 1
48 . 1 1 7 7 ASN N N 15 120.61 0.30 . 1 . . . . . . . . 4963 1
49 . 1 1 7 7 ASN H H 1 8.49 0.02 . 1 . . . . . . . . 4963 1
50 . 1 1 7 7 ASN CA C 13 53.44 0.30 . 1 . . . . . . . . 4963 1
51 . 1 1 7 7 ASN HA H 1 4.69 0.02 . 1 . . . . . . . . 4963 1
52 . 1 1 7 7 ASN CB C 13 38.86 0.30 . 1 . . . . . . . . 4963 1
53 . 1 1 7 7 ASN HB3 H 1 2.80 0.02 . 1 . . . . . . . . 4963 1
54 . 1 1 7 7 ASN HB2 H 1 2.80 0.02 . 1 . . . . . . . . 4963 1
55 . 1 1 7 7 ASN CG C 13 176.99 0.30 . 1 . . . . . . . . 4963 1
56 . 1 1 7 7 ASN ND2 N 15 113.40 0.30 . 1 . . . . . . . . 4963 1
57 . 1 1 7 7 ASN HD21 H 1 7.65 0.02 . 2 . . . . . . . . 4963 1
58 . 1 1 7 7 ASN HD22 H 1 6.87 0.02 . 2 . . . . . . . . 4963 1
59 . 1 1 7 7 ASN C C 13 174.83 0.30 . 1 . . . . . . . . 4963 1
60 . 1 1 8 8 ASP N N 15 120.98 0.30 . 1 . . . . . . . . 4963 1
61 . 1 1 8 8 ASP H H 1 8.19 0.02 . 1 . . . . . . . . 4963 1
62 . 1 1 8 8 ASP CA C 13 54.30 0.30 . 1 . . . . . . . . 4963 1
63 . 1 1 8 8 ASP HA H 1 4.60 0.02 . 1 . . . . . . . . 4963 1
64 . 1 1 8 8 ASP CB C 13 41.04 0.30 . 1 . . . . . . . . 4963 1
65 . 1 1 8 8 ASP HB3 H 1 2.62 0.02 . 2 . . . . . . . . 4963 1
66 . 1 1 8 8 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 4963 1
67 . 1 1 8 8 ASP C C 13 176.23 0.30 . 1 . . . . . . . . 4963 1
68 . 1 1 9 9 LEU N N 15 122.62 0.30 . 1 . . . . . . . . 4963 1
69 . 1 1 9 9 LEU H H 1 8.21 0.02 . 1 . . . . . . . . 4963 1
70 . 1 1 9 9 LEU CA C 13 55.26 0.30 . 1 . . . . . . . . 4963 1
71 . 1 1 9 9 LEU HA H 1 4.23 0.02 . 1 . . . . . . . . 4963 1
72 . 1 1 9 9 LEU CB C 13 42.66 0.30 . 1 . . . . . . . . 4963 1
73 . 1 1 9 9 LEU HB3 H 1 1.41 0.02 . 1 . . . . . . . . 4963 1
74 . 1 1 9 9 LEU HB2 H 1 1.62 0.02 . 1 . . . . . . . . 4963 1
75 . 1 1 9 9 LEU CG C 13 26.80 0.30 . 1 . . . . . . . . 4963 1
76 . 1 1 9 9 LEU HG H 1 1.61 0.02 . 1 . . . . . . . . 4963 1
77 . 1 1 9 9 LEU CD1 C 13 25.43 0.30 . 1 . . . . . . . . 4963 1
78 . 1 1 9 9 LEU HD11 H 1 0.85 0.02 . 1 . . . . . . . . 4963 1
79 . 1 1 9 9 LEU HD12 H 1 0.85 0.02 . 1 . . . . . . . . 4963 1
80 . 1 1 9 9 LEU HD13 H 1 0.85 0.02 . 1 . . . . . . . . 4963 1
81 . 1 1 9 9 LEU CD2 C 13 22.92 0.30 . 1 . . . . . . . . 4963 1
82 . 1 1 9 9 LEU HD21 H 1 0.76 0.02 . 1 . . . . . . . . 4963 1
83 . 1 1 9 9 LEU HD22 H 1 0.76 0.02 . 1 . . . . . . . . 4963 1
84 . 1 1 9 9 LEU HD23 H 1 0.76 0.02 . 1 . . . . . . . . 4963 1
85 . 1 1 9 9 LEU C C 13 177.80 0.30 . 1 . . . . . . . . 4963 1
86 . 1 1 10 10 GLY N N 15 108.28 0.30 . 1 . . . . . . . . 4963 1
87 . 1 1 10 10 GLY H H 1 8.14 0.02 . 1 . . . . . . . . 4963 1
88 . 1 1 10 10 GLY CA C 13 44.21 0.30 . 1 . . . . . . . . 4963 1
89 . 1 1 10 10 GLY HA3 H 1 3.94 0.02 . 2 . . . . . . . . 4963 1
90 . 1 1 10 10 GLY HA2 H 1 4.17 0.02 . 2 . . . . . . . . 4963 1
91 . 1 1 11 11 PRO CA C 13 62.14 0.30 . 1 . . . . . . . . 4963 1
92 . 1 1 11 11 PRO HA H 1 4.52 0.02 . 1 . . . . . . . . 4963 1
93 . 1 1 11 11 PRO CB C 13 32.02 0.30 . 1 . . . . . . . . 4963 1
94 . 1 1 11 11 PRO HB3 H 1 1.96 0.02 . 1 . . . . . . . . 4963 1
95 . 1 1 11 11 PRO HB2 H 1 2.30 0.02 . 1 . . . . . . . . 4963 1
96 . 1 1 11 11 PRO CG C 13 26.87 0.30 . 1 . . . . . . . . 4963 1
97 . 1 1 11 11 PRO HG3 H 1 1.96 0.02 . 2 . . . . . . . . 4963 1
98 . 1 1 11 11 PRO HG2 H 1 2.00 0.02 . 2 . . . . . . . . 4963 1
99 . 1 1 11 11 PRO CD C 13 49.25 0.30 . 1 . . . . . . . . 4963 1
100 . 1 1 11 11 PRO HD3 H 1 3.56 0.02 . 2 . . . . . . . . 4963 1
101 . 1 1 11 11 PRO HD2 H 1 3.60 0.02 . 2 . . . . . . . . 4963 1
102 . 1 1 11 11 PRO C C 13 177.93 0.30 . 1 . . . . . . . . 4963 1
103 . 1 1 12 12 LEU N N 15 122.54 0.30 . 1 . . . . . . . . 4963 1
104 . 1 1 12 12 LEU H H 1 8.69 0.02 . 1 . . . . . . . . 4963 1
105 . 1 1 12 12 LEU CA C 13 53.35 0.30 . 1 . . . . . . . . 4963 1
106 . 1 1 12 12 LEU HA H 1 4.10 0.02 . 1 . . . . . . . . 4963 1
107 . 1 1 12 12 LEU CB C 13 41.11 0.30 . 1 . . . . . . . . 4963 1
108 . 1 1 12 12 LEU HB3 H 1 1.44 0.02 . 2 . . . . . . . . 4963 1
109 . 1 1 12 12 LEU HB2 H 1 1.80 0.02 . 2 . . . . . . . . 4963 1
110 . 1 1 12 12 LEU CG C 13 27.51 0.30 . 1 . . . . . . . . 4963 1
111 . 1 1 12 12 LEU HG H 1 1.83 0.02 . 1 . . . . . . . . 4963 1
112 . 1 1 12 12 LEU CD1 C 13 26.27 0.30 . 2 . . . . . . . . 4963 1
113 . 1 1 12 12 LEU HD11 H 1 1.12 0.02 . 2 . . . . . . . . 4963 1
114 . 1 1 12 12 LEU HD12 H 1 1.12 0.02 . 2 . . . . . . . . 4963 1
115 . 1 1 12 12 LEU HD13 H 1 1.12 0.02 . 2 . . . . . . . . 4963 1
116 . 1 1 12 12 LEU CD2 C 13 23.67 0.30 . 2 . . . . . . . . 4963 1
117 . 1 1 12 12 LEU HD21 H 1 0.80 0.02 . 2 . . . . . . . . 4963 1
118 . 1 1 12 12 LEU HD22 H 1 0.80 0.02 . 2 . . . . . . . . 4963 1
119 . 1 1 12 12 LEU HD23 H 1 0.80 0.02 . 2 . . . . . . . . 4963 1
120 . 1 1 13 13 PRO CA C 13 61.29 0.30 . 1 . . . . . . . . 4963 1
121 . 1 1 13 13 PRO HA H 1 4.78 0.02 . 1 . . . . . . . . 4963 1
122 . 1 1 13 13 PRO CB C 13 29.40 0.30 . 1 . . . . . . . . 4963 1
123 . 1 1 13 13 PRO HB3 H 1 1.97 0.02 . 2 . . . . . . . . 4963 1
124 . 1 1 13 13 PRO HB2 H 1 2.53 0.02 . 2 . . . . . . . . 4963 1
125 . 1 1 13 13 PRO CG C 13 26.67 0.30 . 1 . . . . . . . . 4963 1
126 . 1 1 13 13 PRO HG3 H 1 1.37 0.02 . 2 . . . . . . . . 4963 1
127 . 1 1 13 13 PRO HG2 H 1 1.75 0.02 . 2 . . . . . . . . 4963 1
128 . 1 1 13 13 PRO CD C 13 49.69 0.30 . 1 . . . . . . . . 4963 1
129 . 1 1 13 13 PRO HD3 H 1 2.76 0.02 . 2 . . . . . . . . 4963 1
130 . 1 1 13 13 PRO HD2 H 1 3.32 0.02 . 2 . . . . . . . . 4963 1
131 . 1 1 14 14 PRO CA C 13 63.86 0.30 . 1 . . . . . . . . 4963 1
132 . 1 1 14 14 PRO HA H 1 4.48 0.02 . 1 . . . . . . . . 4963 1
133 . 1 1 14 14 PRO CB C 13 31.75 0.30 . 1 . . . . . . . . 4963 1
134 . 1 1 14 14 PRO HB3 H 1 2.01 0.02 . 1 . . . . . . . . 4963 1
135 . 1 1 14 14 PRO HB2 H 1 2.42 0.02 . 1 . . . . . . . . 4963 1
136 . 1 1 14 14 PRO CG C 13 27.75 0.30 . 1 . . . . . . . . 4963 1
137 . 1 1 14 14 PRO HG3 H 1 2.10 0.02 . 2 . . . . . . . . 4963 1
138 . 1 1 14 14 PRO HG2 H 1 2.20 0.02 . 2 . . . . . . . . 4963 1
139 . 1 1 14 14 PRO CD C 13 50.17 0.30 . 1 . . . . . . . . 4963 1
140 . 1 1 14 14 PRO HD3 H 1 3.93 0.02 . 2 . . . . . . . . 4963 1
141 . 1 1 14 14 PRO HD2 H 1 3.66 0.02 . 2 . . . . . . . . 4963 1
142 . 1 1 14 14 PRO C C 13 178.37 0.30 . 1 . . . . . . . . 4963 1
143 . 1 1 15 15 GLY N N 15 112.78 0.30 . 1 . . . . . . . . 4963 1
144 . 1 1 15 15 GLY H H 1 9.00 0.02 . 1 . . . . . . . . 4963 1
145 . 1 1 15 15 GLY CA C 13 45.42 0.30 . 1 . . . . . . . . 4963 1
146 . 1 1 15 15 GLY HA3 H 1 3.81 0.02 . 2 . . . . . . . . 4963 1
147 . 1 1 15 15 GLY HA2 H 1 4.28 0.02 . 2 . . . . . . . . 4963 1
148 . 1 1 15 15 GLY C C 13 172.68 0.30 . 1 . . . . . . . . 4963 1
149 . 1 1 16 16 TRP N N 15 117.73 0.30 . 1 . . . . . . . . 4963 1
150 . 1 1 16 16 TRP H H 1 7.77 0.02 . 1 . . . . . . . . 4963 1
151 . 1 1 16 16 TRP CA C 13 55.88 0.30 . 1 . . . . . . . . 4963 1
152 . 1 1 16 16 TRP HA H 1 6.07 0.02 . 1 . . . . . . . . 4963 1
153 . 1 1 16 16 TRP CB C 13 32.17 0.30 . 1 . . . . . . . . 4963 1
154 . 1 1 16 16 TRP HB3 H 1 3.13 0.02 . 1 . . . . . . . . 4963 1
155 . 1 1 16 16 TRP HB2 H 1 3.37 0.02 . 1 . . . . . . . . 4963 1
156 . 1 1 16 16 TRP CD1 C 13 127.56 0.30 . 1 . . . . . . . . 4963 1
157 . 1 1 16 16 TRP HD1 H 1 7.10 0.02 . 1 . . . . . . . . 4963 1
158 . 1 1 16 16 TRP NE1 N 15 130.31 0.30 . 1 . . . . . . . . 4963 1
159 . 1 1 16 16 TRP HE1 H 1 10.54 0.02 . 1 . . . . . . . . 4963 1
160 . 1 1 16 16 TRP CZ2 C 13 115.62 0.30 . 1 . . . . . . . . 4963 1
161 . 1 1 16 16 TRP HZ2 H 1 7.48 0.02 . 1 . . . . . . . . 4963 1
162 . 1 1 16 16 TRP CH2 C 13 123.48 0.30 . 1 . . . . . . . . 4963 1
163 . 1 1 16 16 TRP HH2 H 1 7.12 0.02 . 1 . . . . . . . . 4963 1
164 . 1 1 16 16 TRP CZ3 C 13 120.10 0.30 . 1 . . . . . . . . 4963 1
165 . 1 1 16 16 TRP HZ3 H 1 6.80 0.02 . 1 . . . . . . . . 4963 1
166 . 1 1 16 16 TRP CE3 C 13 119.75 0.30 . 1 . . . . . . . . 4963 1
167 . 1 1 16 16 TRP HE3 H 1 7.46 0.02 . 1 . . . . . . . . 4963 1
168 . 1 1 16 16 TRP C C 13 176.79 0.30 . 1 . . . . . . . . 4963 1
169 . 1 1 17 17 GLU H H 1 9.38 0.02 . 1 . . . . . . . . 4963 1
170 . 1 1 17 17 GLU CA C 13 54.83 0.30 . 1 . . . . . . . . 4963 1
171 . 1 1 17 17 GLU HA H 1 4.80 0.02 . 1 . . . . . . . . 4963 1
172 . 1 1 17 17 GLU CB C 13 35.06 0.30 . 1 . . . . . . . . 4963 1
173 . 1 1 17 17 GLU HB3 H 1 2.02 0.02 . 2 . . . . . . . . 4963 1
174 . 1 1 17 17 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 4963 1
175 . 1 1 17 17 GLU CG C 13 36.30 0.30 . 1 . . . . . . . . 4963 1
176 . 1 1 17 17 GLU HG3 H 1 2.22 0.02 . 2 . . . . . . . . 4963 1
177 . 1 1 17 17 GLU HG2 H 1 2.42 0.02 . 2 . . . . . . . . 4963 1
178 . 1 1 17 17 GLU C C 13 173.23 0.30 . 1 . . . . . . . . 4963 1
179 . 1 1 18 18 GLU N N 15 125.83 0.30 . 1 . . . . . . . . 4963 1
180 . 1 1 18 18 GLU H H 1 8.78 0.02 . 1 . . . . . . . . 4963 1
181 . 1 1 18 18 GLU CA C 13 54.49 0.30 . 1 . . . . . . . . 4963 1
182 . 1 1 18 18 GLU HA H 1 4.77 0.02 . 1 . . . . . . . . 4963 1
183 . 1 1 18 18 GLU CB C 13 32.49 0.30 . 1 . . . . . . . . 4963 1
184 . 1 1 18 18 GLU HB3 H 1 1.86 0.02 . 1 . . . . . . . . 4963 1
185 . 1 1 18 18 GLU HB2 H 1 1.86 0.02 . 1 . . . . . . . . 4963 1
186 . 1 1 18 18 GLU CG C 13 35.83 0.30 . 1 . . . . . . . . 4963 1
187 . 1 1 18 18 GLU HG3 H 1 1.79 0.02 . 2 . . . . . . . . 4963 1
188 . 1 1 18 18 GLU HG2 H 1 1.93 0.02 . 2 . . . . . . . . 4963 1
189 . 1 1 18 18 GLU C C 13 174.87 0.30 . 1 . . . . . . . . 4963 1
190 . 1 1 19 19 ARG N N 15 125.41 0.30 . 1 . . . . . . . . 4963 1
191 . 1 1 19 19 ARG H H 1 8.34 0.02 . 1 . . . . . . . . 4963 1
192 . 1 1 19 19 ARG CA C 13 54.12 0.30 . 1 . . . . . . . . 4963 1
193 . 1 1 19 19 ARG HA H 1 4.39 0.02 . 1 . . . . . . . . 4963 1
194 . 1 1 19 19 ARG CB C 13 34.44 0.30 . 1 . . . . . . . . 4963 1
195 . 1 1 19 19 ARG HB3 H 1 0.93 0.02 . 1 . . . . . . . . 4963 1
196 . 1 1 19 19 ARG HB2 H 1 0.60 0.02 . 1 . . . . . . . . 4963 1
197 . 1 1 19 19 ARG CG C 13 27.46 0.30 . 1 . . . . . . . . 4963 1
198 . 1 1 19 19 ARG HG3 H 1 1.25 0.02 . 2 . . . . . . . . 4963 1
199 . 1 1 19 19 ARG HG2 H 1 1.43 0.02 . 2 . . . . . . . . 4963 1
200 . 1 1 19 19 ARG CD C 13 42.95 0.30 . 1 . . . . . . . . 4963 1
201 . 1 1 19 19 ARG HD3 H 1 2.92 0.02 . 2 . . . . . . . . 4963 1
202 . 1 1 19 19 ARG HD2 H 1 3.24 0.02 . 2 . . . . . . . . 4963 1
203 . 1 1 19 19 ARG NE N 15 84.21 0.30 . 1 . . . . . . . . 4963 1
204 . 1 1 19 19 ARG HE H 1 7.18 0.02 . 1 . . . . . . . . 4963 1
205 . 1 1 19 19 ARG C C 13 172.90 0.30 . 1 . . . . . . . . 4963 1
206 . 1 1 20 20 THR N N 15 116.19 0.30 . 1 . . . . . . . . 4963 1
207 . 1 1 20 20 THR H H 1 8.22 0.02 . 1 . . . . . . . . 4963 1
208 . 1 1 20 20 THR CA C 13 62.09 0.30 . 1 . . . . . . . . 4963 1
209 . 1 1 20 20 THR HA H 1 4.72 0.02 . 1 . . . . . . . . 4963 1
210 . 1 1 20 20 THR CB C 13 69.28 0.30 . 1 . . . . . . . . 4963 1
211 . 1 1 20 20 THR HB H 1 3.96 0.02 . 1 . . . . . . . . 4963 1
212 . 1 1 20 20 THR CG2 C 13 21.66 0.30 . 1 . . . . . . . . 4963 1
213 . 1 1 20 20 THR HG21 H 1 1.28 0.02 . 1 . . . . . . . . 4963 1
214 . 1 1 20 20 THR HG22 H 1 1.28 0.02 . 1 . . . . . . . . 4963 1
215 . 1 1 20 20 THR HG23 H 1 1.28 0.02 . 1 . . . . . . . . 4963 1
216 . 1 1 20 20 THR C C 13 175.00 0.30 . 1 . . . . . . . . 4963 1
217 . 1 1 21 21 HIS N N 15 127.67 0.30 . 1 . . . . . . . . 4963 1
218 . 1 1 21 21 HIS H H 1 9.81 0.02 . 1 . . . . . . . . 4963 1
219 . 1 1 21 21 HIS CA C 13 54.43 0.30 . 1 . . . . . . . . 4963 1
220 . 1 1 21 21 HIS HA H 1 5.25 0.02 . 1 . . . . . . . . 4963 1
221 . 1 1 21 21 HIS CB C 13 31.65 0.30 . 1 . . . . . . . . 4963 1
222 . 1 1 21 21 HIS HB3 H 1 3.95 0.02 . 1 . . . . . . . . 4963 1
223 . 1 1 21 21 HIS HB2 H 1 3.37 0.02 . 1 . . . . . . . . 4963 1
224 . 1 1 21 21 HIS CD2 C 13 118.38 0.30 . 1 . . . . . . . . 4963 1
225 . 1 1 21 21 HIS HD2 H 1 7.34 0.02 . 1 . . . . . . . . 4963 1
226 . 1 1 21 21 HIS NE2 N 15 169.48 0.30 . 1 . . . . . . . . 4963 1
227 . 1 1 21 21 HIS CE1 C 13 139.73 0.30 . 1 . . . . . . . . 4963 1
228 . 1 1 21 21 HIS HE1 H 1 7.79 0.02 . 1 . . . . . . . . 4963 1
229 . 1 1 21 21 HIS ND1 N 15 243.67 0.30 . 1 . . . . . . . . 4963 1
230 . 1 1 21 21 HIS C C 13 176.54 0.30 . 1 . . . . . . . . 4963 1
231 . 1 1 22 22 THR N N 15 116.98 0.30 . 1 . . . . . . . . 4963 1
232 . 1 1 22 22 THR H H 1 6.93 0.02 . 1 . . . . . . . . 4963 1
233 . 1 1 22 22 THR CA C 13 64.07 0.30 . 1 . . . . . . . . 4963 1
234 . 1 1 22 22 THR HA H 1 3.90 0.02 . 1 . . . . . . . . 4963 1
235 . 1 1 22 22 THR CB C 13 68.16 0.30 . 1 . . . . . . . . 4963 1
236 . 1 1 22 22 THR HB H 1 4.06 0.02 . 1 . . . . . . . . 4963 1
237 . 1 1 22 22 THR CG2 C 13 22.11 0.30 . 1 . . . . . . . . 4963 1
238 . 1 1 22 22 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 4963 1
239 . 1 1 22 22 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 4963 1
240 . 1 1 22 22 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 4963 1
241 . 1 1 22 22 THR C C 13 174.48 0.30 . 1 . . . . . . . . 4963 1
242 . 1 1 23 23 ASP N N 15 118.97 0.30 . 1 . . . . . . . . 4963 1
243 . 1 1 23 23 ASP H H 1 7.46 0.02 . 1 . . . . . . . . 4963 1
244 . 1 1 23 23 ASP CA C 13 52.99 0.30 . 1 . . . . . . . . 4963 1
245 . 1 1 23 23 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 4963 1
246 . 1 1 23 23 ASP CB C 13 40.45 0.30 . 1 . . . . . . . . 4963 1
247 . 1 1 23 23 ASP HB3 H 1 2.53 0.02 . 1 . . . . . . . . 4963 1
248 . 1 1 23 23 ASP HB2 H 1 3.08 0.02 . 1 . . . . . . . . 4963 1
249 . 1 1 23 23 ASP C C 13 177.12 0.30 . 1 . . . . . . . . 4963 1
250 . 1 1 24 24 GLY N N 15 108.33 0.30 . 1 . . . . . . . . 4963 1
251 . 1 1 24 24 GLY H H 1 8.11 0.02 . 1 . . . . . . . . 4963 1
252 . 1 1 24 24 GLY CA C 13 44.90 0.30 . 1 . . . . . . . . 4963 1
253 . 1 1 24 24 GLY HA3 H 1 3.55 0.02 . 2 . . . . . . . . 4963 1
254 . 1 1 24 24 GLY HA2 H 1 4.35 0.02 . 2 . . . . . . . . 4963 1
255 . 1 1 24 24 GLY C C 13 174.22 0.30 . 1 . . . . . . . . 4963 1
256 . 1 1 25 25 ARG N N 15 122.16 0.30 . 1 . . . . . . . . 4963 1
257 . 1 1 25 25 ARG H H 1 8.21 0.02 . 1 . . . . . . . . 4963 1
258 . 1 1 25 25 ARG CA C 13 56.73 0.30 . 1 . . . . . . . . 4963 1
259 . 1 1 25 25 ARG HA H 1 4.43 0.02 . 1 . . . . . . . . 4963 1
260 . 1 1 25 25 ARG CB C 13 32.12 0.30 . 1 . . . . . . . . 4963 1
261 . 1 1 25 25 ARG HB3 H 1 1.90 0.02 . 1 . . . . . . . . 4963 1
262 . 1 1 25 25 ARG HB2 H 1 2.13 0.02 . 1 . . . . . . . . 4963 1
263 . 1 1 25 25 ARG CG C 13 27.54 0.30 . 1 . . . . . . . . 4963 1
264 . 1 1 25 25 ARG HG3 H 1 1.61 0.02 . 1 . . . . . . . . 4963 1
265 . 1 1 25 25 ARG HG2 H 1 1.61 0.02 . 1 . . . . . . . . 4963 1
266 . 1 1 25 25 ARG CD C 13 43.44 0.30 . 1 . . . . . . . . 4963 1
267 . 1 1 25 25 ARG HD3 H 1 2.62 0.02 . 2 . . . . . . . . 4963 1
268 . 1 1 25 25 ARG HD2 H 1 2.68 0.02 . 2 . . . . . . . . 4963 1
269 . 1 1 25 25 ARG NE N 15 85.59 0.30 . 1 . . . . . . . . 4963 1
270 . 1 1 25 25 ARG HE H 1 7.29 0.02 . 1 . . . . . . . . 4963 1
271 . 1 1 25 25 ARG C C 13 175.74 0.30 . 1 . . . . . . . . 4963 1
272 . 1 1 26 26 VAL N N 15 124.22 0.30 . 1 . . . . . . . . 4963 1
273 . 1 1 26 26 VAL H H 1 8.46 0.02 . 1 . . . . . . . . 4963 1
274 . 1 1 26 26 VAL CA C 13 61.72 0.30 . 1 . . . . . . . . 4963 1
275 . 1 1 26 26 VAL HA H 1 4.82 0.02 . 1 . . . . . . . . 4963 1
276 . 1 1 26 26 VAL CB C 13 33.02 0.30 . 1 . . . . . . . . 4963 1
277 . 1 1 26 26 VAL HB H 1 1.95 0.02 . 1 . . . . . . . . 4963 1
278 . 1 1 26 26 VAL CG2 C 13 21.74 0.30 . 1 . . . . . . . . 4963 1
279 . 1 1 26 26 VAL HG21 H 1 0.71 0.02 . 1 . . . . . . . . 4963 1
280 . 1 1 26 26 VAL HG22 H 1 0.71 0.02 . 1 . . . . . . . . 4963 1
281 . 1 1 26 26 VAL HG23 H 1 0.71 0.02 . 1 . . . . . . . . 4963 1
282 . 1 1 26 26 VAL CG1 C 13 21.62 0.30 . 1 . . . . . . . . 4963 1
283 . 1 1 26 26 VAL HG11 H 1 0.98 0.02 . 1 . . . . . . . . 4963 1
284 . 1 1 26 26 VAL HG12 H 1 0.98 0.02 . 1 . . . . . . . . 4963 1
285 . 1 1 26 26 VAL HG13 H 1 0.98 0.02 . 1 . . . . . . . . 4963 1
286 . 1 1 26 26 VAL C C 13 175.06 0.30 . 1 . . . . . . . . 4963 1
287 . 1 1 27 27 PHE N N 15 121.00 0.30 . 1 . . . . . . . . 4963 1
288 . 1 1 27 27 PHE H H 1 8.97 0.02 . 1 . . . . . . . . 4963 1
289 . 1 1 27 27 PHE CA C 13 54.90 0.30 . 1 . . . . . . . . 4963 1
290 . 1 1 27 27 PHE HA H 1 5.15 0.02 . 1 . . . . . . . . 4963 1
291 . 1 1 27 27 PHE CB C 13 41.02 0.30 . 1 . . . . . . . . 4963 1
292 . 1 1 27 27 PHE HB3 H 1 3.15 0.02 . 1 . . . . . . . . 4963 1
293 . 1 1 27 27 PHE HB2 H 1 2.51 0.02 . 1 . . . . . . . . 4963 1
294 . 1 1 27 27 PHE CD1 C 13 131.78 0.30 . 2 . . . . . . . . 4963 1
295 . 1 1 27 27 PHE HD1 H 1 6.93 0.02 . 2 . . . . . . . . 4963 1
296 . 1 1 27 27 PHE CE1 C 13 129.35 0.30 . 2 . . . . . . . . 4963 1
297 . 1 1 27 27 PHE HE1 H 1 6.86 0.02 . 2 . . . . . . . . 4963 1
298 . 1 1 27 27 PHE C C 13 170.78 0.30 . 1 . . . . . . . . 4963 1
299 . 1 1 28 28 PHE N N 15 115.77 0.30 . 1 . . . . . . . . 4963 1
300 . 1 1 28 28 PHE H H 1 8.96 0.02 . 1 . . . . . . . . 4963 1
301 . 1 1 28 28 PHE CA C 13 57.20 0.30 . 1 . . . . . . . . 4963 1
302 . 1 1 28 28 PHE HA H 1 5.28 0.02 . 1 . . . . . . . . 4963 1
303 . 1 1 28 28 PHE CB C 13 42.46 0.30 . 1 . . . . . . . . 4963 1
304 . 1 1 28 28 PHE HB3 H 1 3.28 0.02 . 1 . . . . . . . . 4963 1
305 . 1 1 28 28 PHE HB2 H 1 3.07 0.02 . 1 . . . . . . . . 4963 1
306 . 1 1 28 28 PHE CD1 C 13 131.59 0.30 . 2 . . . . . . . . 4963 1
307 . 1 1 28 28 PHE HD1 H 1 7.08 0.02 . 2 . . . . . . . . 4963 1
308 . 1 1 28 28 PHE CE1 C 13 130.12 0.30 . 2 . . . . . . . . 4963 1
309 . 1 1 28 28 PHE HE1 H 1 7.36 0.02 . 2 . . . . . . . . 4963 1
310 . 1 1 28 28 PHE C C 13 174.83 0.30 . 1 . . . . . . . . 4963 1
311 . 1 1 29 29 ILE N N 15 122.41 0.30 . 1 . . . . . . . . 4963 1
312 . 1 1 29 29 ILE H H 1 9.54 0.02 . 1 . . . . . . . . 4963 1
313 . 1 1 29 29 ILE CA C 13 60.09 0.30 . 1 . . . . . . . . 4963 1
314 . 1 1 29 29 ILE HA H 1 4.34 0.02 . 1 . . . . . . . . 4963 1
315 . 1 1 29 29 ILE CB C 13 41.44 0.30 . 1 . . . . . . . . 4963 1
316 . 1 1 29 29 ILE HB H 1 1.50 0.02 . 1 . . . . . . . . 4963 1
317 . 1 1 29 29 ILE CG1 C 13 27.47 0.30 . 1 . . . . . . . . 4963 1
318 . 1 1 29 29 ILE HG13 H 1 0.74 0.02 . 1 . . . . . . . . 4963 1
319 . 1 1 29 29 ILE HG12 H 1 1.33 0.02 . 1 . . . . . . . . 4963 1
320 . 1 1 29 29 ILE CD1 C 13 15.33 0.30 . 1 . . . . . . . . 4963 1
321 . 1 1 29 29 ILE HD11 H 1 0.51 0.02 . 1 . . . . . . . . 4963 1
322 . 1 1 29 29 ILE HD12 H 1 0.51 0.02 . 1 . . . . . . . . 4963 1
323 . 1 1 29 29 ILE HD13 H 1 0.51 0.02 . 1 . . . . . . . . 4963 1
324 . 1 1 29 29 ILE CG2 C 13 17.37 0.30 . 1 . . . . . . . . 4963 1
325 . 1 1 29 29 ILE HG21 H 1 0.26 0.02 . 1 . . . . . . . . 4963 1
326 . 1 1 29 29 ILE HG22 H 1 0.26 0.02 . 1 . . . . . . . . 4963 1
327 . 1 1 29 29 ILE HG23 H 1 0.26 0.02 . 1 . . . . . . . . 4963 1
328 . 1 1 29 29 ILE C C 13 173.36 0.30 . 1 . . . . . . . . 4963 1
329 . 1 1 30 30 ASN N N 15 123.55 0.30 . 1 . . . . . . . . 4963 1
330 . 1 1 30 30 ASN H H 1 8.48 0.02 . 1 . . . . . . . . 4963 1
331 . 1 1 30 30 ASN CA C 13 50.20 0.30 . 1 . . . . . . . . 4963 1
332 . 1 1 30 30 ASN HA H 1 3.95 0.02 . 1 . . . . . . . . 4963 1
333 . 1 1 30 30 ASN CB C 13 36.49 0.30 . 1 . . . . . . . . 4963 1
334 . 1 1 30 30 ASN HB3 H 1 2.08 0.02 . 1 . . . . . . . . 4963 1
335 . 1 1 30 30 ASN HB2 H 1 0.11 0.02 . 1 . . . . . . . . 4963 1
336 . 1 1 30 30 ASN CG C 13 176.28 0.30 . 1 . . . . . . . . 4963 1
337 . 1 1 30 30 ASN ND2 N 15 112.30 0.30 . 1 . . . . . . . . 4963 1
338 . 1 1 30 30 ASN HD21 H 1 7.21 0.02 . 2 . . . . . . . . 4963 1
339 . 1 1 30 30 ASN HD22 H 1 6.24 0.02 . 2 . . . . . . . . 4963 1
340 . 1 1 30 30 ASN C C 13 176.39 0.30 . 1 . . . . . . . . 4963 1
341 . 1 1 31 31 HIS N N 15 122.81 0.30 . 1 . . . . . . . . 4963 1
342 . 1 1 31 31 HIS H H 1 8.72 0.02 . 1 . . . . . . . . 4963 1
343 . 1 1 31 31 HIS CA C 13 58.94 0.30 . 1 . . . . . . . . 4963 1
344 . 1 1 31 31 HIS HA H 1 4.19 0.02 . 1 . . . . . . . . 4963 1
345 . 1 1 31 31 HIS CB C 13 30.68 0.30 . 1 . . . . . . . . 4963 1
346 . 1 1 31 31 HIS HB3 H 1 3.10 0.02 . 1 . . . . . . . . 4963 1
347 . 1 1 31 31 HIS HB2 H 1 3.22 0.02 . 1 . . . . . . . . 4963 1
348 . 1 1 31 31 HIS CD2 C 13 118.20 0.30 . 1 . . . . . . . . 4963 1
349 . 1 1 31 31 HIS HD2 H 1 6.89 0.02 . 1 . . . . . . . . 4963 1
350 . 1 1 31 31 HIS NE2 N 15 167.55 0.30 . 1 . . . . . . . . 4963 1
351 . 1 1 31 31 HIS CE1 C 13 138.51 0.30 . 1 . . . . . . . . 4963 1
352 . 1 1 31 31 HIS HE1 H 1 7.70 0.02 . 1 . . . . . . . . 4963 1
353 . 1 1 31 31 HIS ND1 N 15 240.06 0.30 . 1 . . . . . . . . 4963 1
354 . 1 1 31 31 HIS C C 13 176.39 0.30 . 1 . . . . . . . . 4963 1
355 . 1 1 32 32 ASN N N 15 115.59 0.30 . 1 . . . . . . . . 4963 1
356 . 1 1 32 32 ASN H H 1 8.04 0.02 . 1 . . . . . . . . 4963 1
357 . 1 1 32 32 ASN CA C 13 55.91 0.30 . 1 . . . . . . . . 4963 1
358 . 1 1 32 32 ASN HA H 1 4.38 0.02 . 1 . . . . . . . . 4963 1
359 . 1 1 32 32 ASN CB C 13 38.23 0.30 . 1 . . . . . . . . 4963 1
360 . 1 1 32 32 ASN HB3 H 1 2.72 0.02 . 1 . . . . . . . . 4963 1
361 . 1 1 32 32 ASN HB2 H 1 2.95 0.02 . 1 . . . . . . . . 4963 1
362 . 1 1 32 32 ASN CG C 13 176.10 0.30 . 1 . . . . . . . . 4963 1
363 . 1 1 32 32 ASN ND2 N 15 115.40 0.30 . 1 . . . . . . . . 4963 1
364 . 1 1 32 32 ASN HD21 H 1 7.49 0.02 . 2 . . . . . . . . 4963 1
365 . 1 1 32 32 ASN HD22 H 1 7.41 0.02 . 2 . . . . . . . . 4963 1
366 . 1 1 32 32 ASN C C 13 176.47 0.30 . 1 . . . . . . . . 4963 1
367 . 1 1 33 33 ILE N N 15 107.50 0.30 . 1 . . . . . . . . 4963 1
368 . 1 1 33 33 ILE H H 1 6.29 0.02 . 1 . . . . . . . . 4963 1
369 . 1 1 33 33 ILE CA C 13 59.64 0.30 . 1 . . . . . . . . 4963 1
370 . 1 1 33 33 ILE HA H 1 4.36 0.02 . 1 . . . . . . . . 4963 1
371 . 1 1 33 33 ILE CB C 13 38.52 0.30 . 1 . . . . . . . . 4963 1
372 . 1 1 33 33 ILE HB H 1 1.93 0.02 . 1 . . . . . . . . 4963 1
373 . 1 1 33 33 ILE CG1 C 13 25.58 0.30 . 1 . . . . . . . . 4963 1
374 . 1 1 33 33 ILE HG13 H 1 0.73 0.02 . 1 . . . . . . . . 4963 1
375 . 1 1 33 33 ILE HG12 H 1 0.93 0.02 . 1 . . . . . . . . 4963 1
376 . 1 1 33 33 ILE CD1 C 13 13.73 0.30 . 1 . . . . . . . . 4963 1
377 . 1 1 33 33 ILE HD11 H 1 0.74 0.02 . 1 . . . . . . . . 4963 1
378 . 1 1 33 33 ILE HD12 H 1 0.74 0.02 . 1 . . . . . . . . 4963 1
379 . 1 1 33 33 ILE HD13 H 1 0.74 0.02 . 1 . . . . . . . . 4963 1
380 . 1 1 33 33 ILE CG2 C 13 17.31 0.30 . 1 . . . . . . . . 4963 1
381 . 1 1 33 33 ILE HG21 H 1 0.72 0.02 . 1 . . . . . . . . 4963 1
382 . 1 1 33 33 ILE HG22 H 1 0.72 0.02 . 1 . . . . . . . . 4963 1
383 . 1 1 33 33 ILE HG23 H 1 0.72 0.02 . 1 . . . . . . . . 4963 1
384 . 1 1 33 33 ILE C C 13 174.11 0.30 . 1 . . . . . . . . 4963 1
385 . 1 1 34 34 LYS N N 15 118.40 0.30 . 1 . . . . . . . . 4963 1
386 . 1 1 34 34 LYS H H 1 7.16 0.02 . 1 . . . . . . . . 4963 1
387 . 1 1 34 34 LYS CA C 13 56.91 0.30 . 1 . . . . . . . . 4963 1
388 . 1 1 34 34 LYS HA H 1 2.31 0.02 . 1 . . . . . . . . 4963 1
389 . 1 1 34 34 LYS CB C 13 28.18 0.30 . 1 . . . . . . . . 4963 1
390 . 1 1 34 34 LYS HB3 H 1 0.70 0.02 . 1 . . . . . . . . 4963 1
391 . 1 1 34 34 LYS HB2 H 1 1.83 0.02 . 1 . . . . . . . . 4963 1
392 . 1 1 34 34 LYS CG C 13 24.72 0.30 . 1 . . . . . . . . 4963 1
393 . 1 1 34 34 LYS HG3 H 1 0.69 0.02 . 2 . . . . . . . . 4963 1
394 . 1 1 34 34 LYS HG2 H 1 0.93 0.02 . 2 . . . . . . . . 4963 1
395 . 1 1 34 34 LYS CD C 13 29.26 0.30 . 1 . . . . . . . . 4963 1
396 . 1 1 34 34 LYS HD3 H 1 1.48 0.02 . 1 . . . . . . . . 4963 1
397 . 1 1 34 34 LYS HD2 H 1 1.48 0.02 . 1 . . . . . . . . 4963 1
398 . 1 1 34 34 LYS CE C 13 42.38 0.30 . 1 . . . . . . . . 4963 1
399 . 1 1 34 34 LYS HE3 H 1 2.95 0.02 . 1 . . . . . . . . 4963 1
400 . 1 1 34 34 LYS HE2 H 1 2.95 0.02 . 1 . . . . . . . . 4963 1
401 . 1 1 34 34 LYS C C 13 173.48 0.30 . 1 . . . . . . . . 4963 1
402 . 1 1 35 35 LYS N N 15 117.33 0.30 . 1 . . . . . . . . 4963 1
403 . 1 1 35 35 LYS H H 1 7.23 0.02 . 1 . . . . . . . . 4963 1
404 . 1 1 35 35 LYS CA C 13 54.41 0.30 . 1 . . . . . . . . 4963 1
405 . 1 1 35 35 LYS HA H 1 4.88 0.02 . 1 . . . . . . . . 4963 1
406 . 1 1 35 35 LYS CB C 13 38.02 0.30 . 1 . . . . . . . . 4963 1
407 . 1 1 35 35 LYS HB3 H 1 1.65 0.02 . 1 . . . . . . . . 4963 1
408 . 1 1 35 35 LYS HB2 H 1 1.49 0.02 . 1 . . . . . . . . 4963 1
409 . 1 1 35 35 LYS CG C 13 24.86 0.30 . 1 . . . . . . . . 4963 1
410 . 1 1 35 35 LYS HG3 H 1 1.38 0.02 . 1 . . . . . . . . 4963 1
411 . 1 1 35 35 LYS HG2 H 1 1.38 0.02 . 1 . . . . . . . . 4963 1
412 . 1 1 35 35 LYS CD C 13 29.02 0.30 . 1 . . . . . . . . 4963 1
413 . 1 1 35 35 LYS HD3 H 1 1.69 0.02 . 2 . . . . . . . . 4963 1
414 . 1 1 35 35 LYS HD2 H 1 1.76 0.02 . 2 . . . . . . . . 4963 1
415 . 1 1 35 35 LYS CE C 13 42.17 0.30 . 1 . . . . . . . . 4963 1
416 . 1 1 35 35 LYS HE3 H 1 3.04 0.02 . 1 . . . . . . . . 4963 1
417 . 1 1 35 35 LYS HE2 H 1 3.04 0.02 . 1 . . . . . . . . 4963 1
418 . 1 1 35 35 LYS C C 13 174.62 0.30 . 1 . . . . . . . . 4963 1
419 . 1 1 36 36 THR N N 15 112.38 0.30 . 1 . . . . . . . . 4963 1
420 . 1 1 36 36 THR H H 1 7.99 0.02 . 1 . . . . . . . . 4963 1
421 . 1 1 36 36 THR CA C 13 58.65 0.30 . 1 . . . . . . . . 4963 1
422 . 1 1 36 36 THR HA H 1 5.52 0.02 . 1 . . . . . . . . 4963 1
423 . 1 1 36 36 THR CB C 13 71.21 0.30 . 1 . . . . . . . . 4963 1
424 . 1 1 36 36 THR HB H 1 4.04 0.02 . 1 . . . . . . . . 4963 1
425 . 1 1 36 36 THR CG2 C 13 22.75 0.30 . 1 . . . . . . . . 4963 1
426 . 1 1 36 36 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 4963 1
427 . 1 1 36 36 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 4963 1
428 . 1 1 36 36 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 4963 1
429 . 1 1 36 36 THR C C 13 173.59 0.30 . 1 . . . . . . . . 4963 1
430 . 1 1 37 37 GLN N N 15 113.70 0.30 . 1 . . . . . . . . 4963 1
431 . 1 1 37 37 GLN H H 1 9.29 0.02 . 1 . . . . . . . . 4963 1
432 . 1 1 37 37 GLN CA C 13 54.86 0.30 . 1 . . . . . . . . 4963 1
433 . 1 1 37 37 GLN HA H 1 4.79 0.02 . 1 . . . . . . . . 4963 1
434 . 1 1 37 37 GLN CB C 13 31.76 0.30 . 1 . . . . . . . . 4963 1
435 . 1 1 37 37 GLN HB3 H 1 2.55 0.02 . 1 . . . . . . . . 4963 1
436 . 1 1 37 37 GLN HB2 H 1 2.55 0.02 . 1 . . . . . . . . 4963 1
437 . 1 1 37 37 GLN CG C 13 31.96 0.30 . 1 . . . . . . . . 4963 1
438 . 1 1 37 37 GLN HG3 H 1 2.40 0.02 . 2 . . . . . . . . 4963 1
439 . 1 1 37 37 GLN HG2 H 1 2.92 0.02 . 2 . . . . . . . . 4963 1
440 . 1 1 37 37 GLN CD C 13 180.55 0.30 . 1 . . . . . . . . 4963 1
441 . 1 1 37 37 GLN NE2 N 15 116.02 0.30 . 1 . . . . . . . . 4963 1
442 . 1 1 37 37 GLN HE21 H 1 8.32 0.02 . 2 . . . . . . . . 4963 1
443 . 1 1 37 37 GLN HE22 H 1 7.12 0.02 . 2 . . . . . . . . 4963 1
444 . 1 1 37 37 GLN C C 13 174.39 0.30 . 1 . . . . . . . . 4963 1
445 . 1 1 38 38 TRP N N 15 121.21 0.30 . 1 . . . . . . . . 4963 1
446 . 1 1 38 38 TRP H H 1 9.10 0.02 . 1 . . . . . . . . 4963 1
447 . 1 1 38 38 TRP CA C 13 58.27 0.30 . 1 . . . . . . . . 4963 1
448 . 1 1 38 38 TRP HA H 1 5.24 0.02 . 1 . . . . . . . . 4963 1
449 . 1 1 38 38 TRP CB C 13 31.41 0.30 . 1 . . . . . . . . 4963 1
450 . 1 1 38 38 TRP HB3 H 1 3.61 0.02 . 1 . . . . . . . . 4963 1
451 . 1 1 38 38 TRP HB2 H 1 3.14 0.02 . 1 . . . . . . . . 4963 1
452 . 1 1 38 38 TRP CD1 C 13 128.00 0.30 . 1 . . . . . . . . 4963 1
453 . 1 1 38 38 TRP HD1 H 1 7.44 0.02 . 1 . . . . . . . . 4963 1
454 . 1 1 38 38 TRP NE1 N 15 129.45 0.30 . 1 . . . . . . . . 4963 1
455 . 1 1 38 38 TRP HE1 H 1 10.28 0.02 . 1 . . . . . . . . 4963 1
456 . 1 1 38 38 TRP CZ2 C 13 114.10 0.30 . 1 . . . . . . . . 4963 1
457 . 1 1 38 38 TRP HZ2 H 1 7.07 0.02 . 1 . . . . . . . . 4963 1
458 . 1 1 38 38 TRP CH2 C 13 123.00 0.30 . 1 . . . . . . . . 4963 1
459 . 1 1 38 38 TRP HH2 H 1 6.81 0.02 . 1 . . . . . . . . 4963 1
460 . 1 1 38 38 TRP CZ3 C 13 122.00 0.30 . 1 . . . . . . . . 4963 1
461 . 1 1 38 38 TRP HZ3 H 1 6.88 0.02 . 1 . . . . . . . . 4963 1
462 . 1 1 38 38 TRP CE3 C 13 121.90 0.30 . 1 . . . . . . . . 4963 1
463 . 1 1 38 38 TRP HE3 H 1 8.31 0.02 . 1 . . . . . . . . 4963 1
464 . 1 1 38 38 TRP C C 13 177.53 0.30 . 1 . . . . . . . . 4963 1
465 . 1 1 39 39 GLU N N 15 117.39 0.30 . 1 . . . . . . . . 4963 1
466 . 1 1 39 39 GLU H H 1 8.65 0.02 . 1 . . . . . . . . 4963 1
467 . 1 1 39 39 GLU CA C 13 58.23 0.30 . 1 . . . . . . . . 4963 1
468 . 1 1 39 39 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 4963 1
469 . 1 1 39 39 GLU CB C 13 29.06 0.30 . 1 . . . . . . . . 4963 1
470 . 1 1 39 39 GLU HB3 H 1 1.75 0.02 . 1 . . . . . . . . 4963 1
471 . 1 1 39 39 GLU HB2 H 1 2.04 0.02 . 1 . . . . . . . . 4963 1
472 . 1 1 39 39 GLU CG C 13 37.12 0.30 . 1 . . . . . . . . 4963 1
473 . 1 1 39 39 GLU HG3 H 1 2.26 0.02 . 2 . . . . . . . . 4963 1
474 . 1 1 39 39 GLU HG2 H 1 2.49 0.02 . 2 . . . . . . . . 4963 1
475 . 1 1 39 39 GLU C C 13 175.31 0.30 . 1 . . . . . . . . 4963 1
476 . 1 1 40 40 ASP N N 15 125.22 0.30 . 1 . . . . . . . . 4963 1
477 . 1 1 40 40 ASP H H 1 8.32 0.02 . 1 . . . . . . . . 4963 1
478 . 1 1 40 40 ASP CA C 13 50.27 0.30 . 1 . . . . . . . . 4963 1
479 . 1 1 40 40 ASP HA H 1 2.89 0.02 . 1 . . . . . . . . 4963 1
480 . 1 1 40 40 ASP CB C 13 41.66 0.30 . 1 . . . . . . . . 4963 1
481 . 1 1 40 40 ASP HB3 H 1 2.25 0.02 . 1 . . . . . . . . 4963 1
482 . 1 1 40 40 ASP HB2 H 1 2.57 0.02 . 1 . . . . . . . . 4963 1
483 . 1 1 41 41 PRO CA C 13 62.97 0.30 . 1 . . . . . . . . 4963 1
484 . 1 1 41 41 PRO HA H 1 3.99 0.02 . 1 . . . . . . . . 4963 1
485 . 1 1 41 41 PRO CB C 13 31.12 0.30 . 1 . . . . . . . . 4963 1
486 . 1 1 41 41 PRO HB3 H 1 0.88 0.02 . 1 . . . . . . . . 4963 1
487 . 1 1 41 41 PRO HB2 H 1 0.88 0.02 . 1 . . . . . . . . 4963 1
488 . 1 1 41 41 PRO CG C 13 25.95 0.30 . 1 . . . . . . . . 4963 1
489 . 1 1 41 41 PRO HG3 H 1 0.08 0.02 . 2 . . . . . . . . 4963 1
490 . 1 1 41 41 PRO HG2 H 1 0.55 0.02 . 2 . . . . . . . . 4963 1
491 . 1 1 41 41 PRO CD C 13 49.74 0.30 . 1 . . . . . . . . 4963 1
492 . 1 1 41 41 PRO HD3 H 1 2.72 0.02 . 1 . . . . . . . . 4963 1
493 . 1 1 41 41 PRO HD2 H 1 2.72 0.02 . 1 . . . . . . . . 4963 1
494 . 1 1 41 41 PRO C C 13 177.80 0.30 . 1 . . . . . . . . 4963 1
495 . 1 1 42 42 ARG N N 15 119.35 0.30 . 1 . . . . . . . . 4963 1
496 . 1 1 42 42 ARG H H 1 8.63 0.02 . 1 . . . . . . . . 4963 1
497 . 1 1 42 42 ARG CA C 13 56.90 0.30 . 1 . . . . . . . . 4963 1
498 . 1 1 42 42 ARG HA H 1 3.91 0.02 . 1 . . . . . . . . 4963 1
499 . 1 1 42 42 ARG CB C 13 29.99 0.30 . 1 . . . . . . . . 4963 1
500 . 1 1 42 42 ARG HB3 H 1 1.82 0.02 . 1 . . . . . . . . 4963 1
501 . 1 1 42 42 ARG HB2 H 1 1.59 0.02 . 1 . . . . . . . . 4963 1
502 . 1 1 42 42 ARG CG C 13 26.67 0.30 . 1 . . . . . . . . 4963 1
503 . 1 1 42 42 ARG HG3 H 1 1.16 0.02 . 2 . . . . . . . . 4963 1
504 . 1 1 42 42 ARG HG2 H 1 1.74 0.02 . 2 . . . . . . . . 4963 1
505 . 1 1 42 42 ARG CD C 13 42.92 0.30 . 1 . . . . . . . . 4963 1
506 . 1 1 42 42 ARG HD3 H 1 2.75 0.02 . 1 . . . . . . . . 4963 1
507 . 1 1 42 42 ARG HD2 H 1 2.75 0.02 . 1 . . . . . . . . 4963 1
508 . 1 1 42 42 ARG NE N 15 84.52 0.30 . 1 . . . . . . . . 4963 1
509 . 1 1 42 42 ARG HE H 1 8.70 0.02 . 1 . . . . . . . . 4963 1
510 . 1 1 42 42 ARG CZ C 13 157.16 0.30 . 1 . . . . . . . . 4963 1
511 . 1 1 42 42 ARG NH2 N 15 73.10 0.30 . 2 . . . . . . . . 4963 1
512 . 1 1 42 42 ARG HH21 H 1 6.98 0.02 . 1 . . . . . . . . 4963 1
513 . 1 1 42 42 ARG C C 13 176.97 0.30 . 1 . . . . . . . . 4963 1
514 . 1 1 43 43 MET N N 15 116.39 0.30 . 1 . . . . . . . . 4963 1
515 . 1 1 43 43 MET H H 1 7.31 0.02 . 1 . . . . . . . . 4963 1
516 . 1 1 43 43 MET CA C 13 54.91 0.30 . 1 . . . . . . . . 4963 1
517 . 1 1 43 43 MET HA H 1 4.39 0.02 . 1 . . . . . . . . 4963 1
518 . 1 1 43 43 MET CB C 13 32.72 0.30 . 1 . . . . . . . . 4963 1
519 . 1 1 43 43 MET HB3 H 1 2.16 0.02 . 1 . . . . . . . . 4963 1
520 . 1 1 43 43 MET HB2 H 1 1.93 0.02 . 1 . . . . . . . . 4963 1
521 . 1 1 43 43 MET CG C 13 32.32 0.30 . 1 . . . . . . . . 4963 1
522 . 1 1 43 43 MET HG3 H 1 2.38 0.02 . 2 . . . . . . . . 4963 1
523 . 1 1 43 43 MET HG2 H 1 2.47 0.02 . 2 . . . . . . . . 4963 1
524 . 1 1 43 43 MET CE C 13 17.15 0.30 . 1 . . . . . . . . 4963 1
525 . 1 1 43 43 MET HE1 H 1 2.08 0.02 . 1 . . . . . . . . 4963 1
526 . 1 1 43 43 MET HE2 H 1 2.08 0.02 . 1 . . . . . . . . 4963 1
527 . 1 1 43 43 MET HE3 H 1 2.08 0.02 . 1 . . . . . . . . 4963 1
528 . 1 1 43 43 MET C C 13 175.79 0.30 . 1 . . . . . . . . 4963 1
529 . 1 1 44 44 GLN N N 15 119.81 0.30 . 1 . . . . . . . . 4963 1
530 . 1 1 44 44 GLN H H 1 7.61 0.02 . 1 . . . . . . . . 4963 1
531 . 1 1 44 44 GLN CA C 13 55.67 0.30 . 1 . . . . . . . . 4963 1
532 . 1 1 44 44 GLN HA H 1 4.25 0.02 . 1 . . . . . . . . 4963 1
533 . 1 1 44 44 GLN CB C 13 29.54 0.30 . 1 . . . . . . . . 4963 1
534 . 1 1 44 44 GLN HB3 H 1 2.01 0.02 . 1 . . . . . . . . 4963 1
535 . 1 1 44 44 GLN HB2 H 1 1.91 0.02 . 1 . . . . . . . . 4963 1
536 . 1 1 44 44 GLN CG C 13 33.60 0.30 . 1 . . . . . . . . 4963 1
537 . 1 1 44 44 GLN HG3 H 1 2.25 0.02 . 1 . . . . . . . . 4963 1
538 . 1 1 44 44 GLN HG2 H 1 2.25 0.02 . 1 . . . . . . . . 4963 1
539 . 1 1 44 44 GLN CD C 13 180.05 0.30 . 1 . . . . . . . . 4963 1
540 . 1 1 44 44 GLN NE2 N 15 112.28 0.30 . 1 . . . . . . . . 4963 1
541 . 1 1 44 44 GLN HE21 H 1 7.46 0.02 . 2 . . . . . . . . 4963 1
542 . 1 1 44 44 GLN HE22 H 1 6.81 0.02 . 2 . . . . . . . . 4963 1
543 . 1 1 44 44 GLN C C 13 175.30 0.30 . 1 . . . . . . . . 4963 1
544 . 1 1 45 45 ASN N N 15 119.78 0.30 . 1 . . . . . . . . 4963 1
545 . 1 1 45 45 ASN H H 1 8.31 0.02 . 1 . . . . . . . . 4963 1
546 . 1 1 45 45 ASN CA C 13 53.11 0.30 . 1 . . . . . . . . 4963 1
547 . 1 1 45 45 ASN HA H 1 4.68 0.02 . 1 . . . . . . . . 4963 1
548 . 1 1 45 45 ASN CB C 13 38.65 0.30 . 1 . . . . . . . . 4963 1
549 . 1 1 45 45 ASN HB3 H 1 2.71 0.02 . 2 . . . . . . . . 4963 1
550 . 1 1 45 45 ASN HB2 H 1 2.79 0.02 . 2 . . . . . . . . 4963 1
551 . 1 1 45 45 ASN CG C 13 176.92 0.30 . 1 . . . . . . . . 4963 1
552 . 1 1 45 45 ASN ND2 N 15 112.63 0.30 . 1 . . . . . . . . 4963 1
553 . 1 1 45 45 ASN HD21 H 1 7.55 0.02 . 2 . . . . . . . . 4963 1
554 . 1 1 45 45 ASN HD22 H 1 6.84 0.02 . 2 . . . . . . . . 4963 1
555 . 1 1 45 45 ASN C C 13 174.88 0.30 . 1 . . . . . . . . 4963 1
556 . 1 1 46 46 VAL N N 15 120.20 0.30 . 1 . . . . . . . . 4963 1
557 . 1 1 46 46 VAL H H 1 7.92 0.02 . 1 . . . . . . . . 4963 1
558 . 1 1 46 46 VAL CA C 13 61.97 0.30 . 1 . . . . . . . . 4963 1
559 . 1 1 46 46 VAL HA H 1 4.10 0.02 . 1 . . . . . . . . 4963 1
560 . 1 1 46 46 VAL CB C 13 32.58 0.30 . 1 . . . . . . . . 4963 1
561 . 1 1 46 46 VAL HB H 1 2.07 0.02 . 1 . . . . . . . . 4963 1
562 . 1 1 46 46 VAL CG2 C 13 20.70 0.30 . 1 . . . . . . . . 4963 1
563 . 1 1 46 46 VAL HG21 H 1 0.91 0.02 . 1 . . . . . . . . 4963 1
564 . 1 1 46 46 VAL HG22 H 1 0.91 0.02 . 1 . . . . . . . . 4963 1
565 . 1 1 46 46 VAL HG23 H 1 0.91 0.02 . 1 . . . . . . . . 4963 1
566 . 1 1 46 46 VAL CG1 C 13 20.70 0.30 . 1 . . . . . . . . 4963 1
567 . 1 1 46 46 VAL HG11 H 1 0.91 0.02 . 1 . . . . . . . . 4963 1
568 . 1 1 46 46 VAL HG12 H 1 0.91 0.02 . 1 . . . . . . . . 4963 1
569 . 1 1 46 46 VAL HG13 H 1 0.91 0.02 . 1 . . . . . . . . 4963 1
570 . 1 1 46 46 VAL C C 13 175.51 0.30 . 1 . . . . . . . . 4963 1
571 . 1 1 47 47 ALA N N 15 127.63 0.30 . 1 . . . . . . . . 4963 1
572 . 1 1 47 47 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 4963 1
573 . 1 1 47 47 ALA CA C 13 52.16 0.30 . 1 . . . . . . . . 4963 1
574 . 1 1 47 47 ALA HA H 1 4.35 0.02 . 1 . . . . . . . . 4963 1
575 . 1 1 47 47 ALA CB C 13 19.14 0.30 . 1 . . . . . . . . 4963 1
576 . 1 1 47 47 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 4963 1
577 . 1 1 47 47 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 4963 1
578 . 1 1 47 47 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 4963 1
579 . 1 1 47 47 ALA C C 13 177.39 0.30 . 1 . . . . . . . . 4963 1
580 . 1 1 48 48 ILE N N 15 120.74 0.30 . 1 . . . . . . . . 4963 1
581 . 1 1 48 48 ILE H H 1 8.13 0.02 . 1 . . . . . . . . 4963 1
582 . 1 1 48 48 ILE CA C 13 60.93 0.30 . 1 . . . . . . . . 4963 1
583 . 1 1 48 48 ILE HA H 1 4.24 0.02 . 1 . . . . . . . . 4963 1
584 . 1 1 48 48 ILE CB C 13 38.50 0.30 . 1 . . . . . . . . 4963 1
585 . 1 1 48 48 ILE HB H 1 1.91 0.02 . 1 . . . . . . . . 4963 1
586 . 1 1 48 48 ILE CG1 C 13 27.11 0.30 . 1 . . . . . . . . 4963 1
587 . 1 1 48 48 ILE HG13 H 1 1.21 0.02 . 1 . . . . . . . . 4963 1
588 . 1 1 48 48 ILE HG12 H 1 1.49 0.02 . 1 . . . . . . . . 4963 1
589 . 1 1 48 48 ILE CD1 C 13 12.75 0.30 . 1 . . . . . . . . 4963 1
590 . 1 1 48 48 ILE HD11 H 1 0.86 0.02 . 1 . . . . . . . . 4963 1
591 . 1 1 48 48 ILE HD12 H 1 0.86 0.02 . 1 . . . . . . . . 4963 1
592 . 1 1 48 48 ILE HD13 H 1 0.86 0.02 . 1 . . . . . . . . 4963 1
593 . 1 1 48 48 ILE CG2 C 13 17.53 0.30 . 1 . . . . . . . . 4963 1
594 . 1 1 48 48 ILE HG21 H 1 0.92 0.02 . 1 . . . . . . . . 4963 1
595 . 1 1 48 48 ILE HG22 H 1 0.92 0.02 . 1 . . . . . . . . 4963 1
596 . 1 1 48 48 ILE HG23 H 1 0.92 0.02 . 1 . . . . . . . . 4963 1
597 . 1 1 48 48 ILE C C 13 176.45 0.30 . 1 . . . . . . . . 4963 1
598 . 1 1 49 49 THR N N 15 117.60 0.30 . 1 . . . . . . . . 4963 1
599 . 1 1 49 49 THR H H 1 8.14 0.02 . 1 . . . . . . . . 4963 1
600 . 1 1 49 49 THR CA C 13 61.37 0.30 . 1 . . . . . . . . 4963 1
601 . 1 1 49 49 THR HA H 1 4.38 0.02 . 1 . . . . . . . . 4963 1
602 . 1 1 49 49 THR CB C 13 69.70 0.30 . 1 . . . . . . . . 4963 1
603 . 1 1 49 49 THR HB H 1 4.27 0.02 . 1 . . . . . . . . 4963 1
604 . 1 1 49 49 THR CG2 C 13 21.32 0.30 . 1 . . . . . . . . 4963 1
605 . 1 1 49 49 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 4963 1
606 . 1 1 49 49 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 4963 1
607 . 1 1 49 49 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 4963 1
608 . 1 1 49 49 THR C C 13 174.01 0.30 . 1 . . . . . . . . 4963 1
609 . 1 1 50 50 GLY N N 15 117.59 0.30 . 1 . . . . . . . . 4963 1
610 . 1 1 50 50 GLY H H 1 7.93 0.02 . 1 . . . . . . . . 4963 1
611 . 1 1 50 50 GLY CA C 13 46.03 0.30 . 1 . . . . . . . . 4963 1
612 . 1 1 50 50 GLY HA3 H 1 3.78 0.02 . 1 . . . . . . . . 4963 1
613 . 1 1 50 50 GLY HA2 H 1 3.78 0.02 . 1 . . . . . . . . 4963 1
stop_
save_
###################################
# 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_shift_set_for_molecule_B
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_for_molecule_B
_Assigned_chem_shift_list.Entry_ID 4963
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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
;
Resonances for the first two residues (GS), which were vector derived, were not observed in HN-detect experiments. Resonances for Ser 607 were obtained from Ha detect experiments.
Residues leu 608 - thr 613 exist in multiple conformations on the NMR timescale due to cis/trans isomerization at the leu 608 - pro 609 and ile - 610 - pro 611 peptide bonds. Only chemical shifts for the major conformer are reported.
;
_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
. . 3 $Sample_3 . 4963 2
. . 4 $Sample_4 . 4963 2
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.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 . 2 2 1 1 GLY CA C 13 43.00 0.30 . 1 . . . . . . . . 4963 2
2 . 2 2 1 1 GLY HA3 H 1 3.90 0.02 . 1 . . . . . . . . 4963 2
3 . 2 2 1 1 GLY HA2 H 1 3.90 0.02 . 1 . . . . . . . . 4963 2
4 . 2 2 2 2 SER N N 15 115.93 0.30 . 1 . . . . . . . . 4963 2
5 . 2 2 2 2 SER CA C 13 57.86 0.30 . 1 . . . . . . . . 4963 2
6 . 2 2 2 2 SER HA H 1 4.61 0.02 . 1 . . . . . . . . 4963 2
7 . 2 2 2 2 SER CB C 13 63.77 0.30 . 1 . . . . . . . . 4963 2
8 . 2 2 2 2 SER HB3 H 1 3.89 0.02 . 1 . . . . . . . . 4963 2
9 . 2 2 2 2 SER HB2 H 1 3.89 0.02 . 1 . . . . . . . . 4963 2
10 . 2 2 2 2 SER C C 13 174.34 0.30 . 1 . . . . . . . . 4963 2
11 . 2 2 3 3 THR N N 15 116.93 0.30 . 1 . . . . . . . . 4963 2
12 . 2 2 3 3 THR H H 1 8.31 0.02 . 1 . . . . . . . . 4963 2
13 . 2 2 3 3 THR CA C 13 61.48 0.30 . 1 . . . . . . . . 4963 2
14 . 2 2 3 3 THR HA H 1 4.38 0.02 . 1 . . . . . . . . 4963 2
15 . 2 2 3 3 THR CB C 13 69.44 0.30 . 1 . . . . . . . . 4963 2
16 . 2 2 3 3 THR HB H 1 4.21 0.02 . 1 . . . . . . . . 4963 2
17 . 2 2 3 3 THR CG2 C 13 21.55 0.30 . 1 . . . . . . . . 4963 2
18 . 2 2 3 3 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 4963 2
19 . 2 2 3 3 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 4963 2
20 . 2 2 3 3 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 4963 2
21 . 2 2 3 3 THR C C 13 173.97 0.30 . 1 . . . . . . . . 4963 2
22 . 2 2 4 4 LEU N N 15 126.44 0.30 . 1 . . . . . . . . 4963 2
23 . 2 2 4 4 LEU H H 1 8.27 0.02 . 1 . . . . . . . . 4963 2
24 . 2 2 4 4 LEU CA C 13 52.77 0.30 . 1 . . . . . . . . 4963 2
25 . 2 2 4 4 LEU HA H 1 4.62 0.02 . 1 . . . . . . . . 4963 2
26 . 2 2 4 4 LEU CB C 13 41.62 0.30 . 1 . . . . . . . . 4963 2
27 . 2 2 4 4 LEU HB3 H 1 1.58 0.02 . 2 . . . . . . . . 4963 2
28 . 2 2 4 4 LEU HB2 H 1 1.54 0.02 . 2 . . . . . . . . 4963 2
29 . 2 2 4 4 LEU CG C 13 26.95 0.30 . 1 . . . . . . . . 4963 2
30 . 2 2 4 4 LEU HG H 1 1.68 0.02 . 1 . . . . . . . . 4963 2
31 . 2 2 4 4 LEU CD1 C 13 23.12 0.30 . 2 . . . . . . . . 4963 2
32 . 2 2 4 4 LEU HD11 H 1 0.90 0.02 . 2 . . . . . . . . 4963 2
33 . 2 2 4 4 LEU HD12 H 1 0.90 0.02 . 2 . . . . . . . . 4963 2
34 . 2 2 4 4 LEU HD13 H 1 0.90 0.02 . 2 . . . . . . . . 4963 2
35 . 2 2 4 4 LEU CD2 C 13 24.97 0.30 . 2 . . . . . . . . 4963 2
36 . 2 2 4 4 LEU HD21 H 1 0.94 0.02 . 2 . . . . . . . . 4963 2
37 . 2 2 4 4 LEU HD22 H 1 0.94 0.02 . 2 . . . . . . . . 4963 2
38 . 2 2 4 4 LEU HD23 H 1 0.94 0.02 . 2 . . . . . . . . 4963 2
39 . 2 2 5 5 PRO N N 15 136.28 0.30 . 1 . . . . . . . . 4963 2
40 . 2 2 5 5 PRO CA C 13 62.43 0.30 . 1 . . . . . . . . 4963 2
41 . 2 2 5 5 PRO HA H 1 4.41 0.02 . 1 . . . . . . . . 4963 2
42 . 2 2 5 5 PRO CB C 13 31.61 0.30 . 1 . . . . . . . . 4963 2
43 . 2 2 5 5 PRO HB3 H 1 1.79 0.02 . 1 . . . . . . . . 4963 2
44 . 2 2 5 5 PRO HB2 H 1 2.18 0.02 . 1 . . . . . . . . 4963 2
45 . 2 2 5 5 PRO CG C 13 27.12 0.30 . 1 . . . . . . . . 4963 2
46 . 2 2 5 5 PRO HG3 H 1 1.95 0.02 . 1 . . . . . . . . 4963 2
47 . 2 2 5 5 PRO HG2 H 1 1.95 0.02 . 1 . . . . . . . . 4963 2
48 . 2 2 5 5 PRO CD C 13 50.21 0.30 . 1 . . . . . . . . 4963 2
49 . 2 2 5 5 PRO HD3 H 1 3.83 0.02 . 2 . . . . . . . . 4963 2
50 . 2 2 5 5 PRO HD2 H 1 3.59 0.02 . 2 . . . . . . . . 4963 2
51 . 2 2 5 5 PRO C C 13 176.19 0.30 . 1 . . . . . . . . 4963 2
52 . 2 2 6 6 ILE N N 15 122.91 0.30 . 1 . . . . . . . . 4963 2
53 . 2 2 6 6 ILE H H 1 8.19 0.02 . 1 . . . . . . . . 4963 2
54 . 2 2 6 6 ILE CA C 13 58.34 0.30 . 1 . . . . . . . . 4963 2
55 . 2 2 6 6 ILE HA H 1 4.34 0.02 . 1 . . . . . . . . 4963 2
56 . 2 2 6 6 ILE CB C 13 38.23 0.30 . 1 . . . . . . . . 4963 2
57 . 2 2 6 6 ILE HB H 1 1.82 0.02 . 1 . . . . . . . . 4963 2
58 . 2 2 6 6 ILE CG1 C 13 26.99 0.30 . 1 . . . . . . . . 4963 2
59 . 2 2 6 6 ILE HG13 H 1 1.55 0.02 . 2 . . . . . . . . 4963 2
60 . 2 2 6 6 ILE HG12 H 1 1.21 0.02 . 2 . . . . . . . . 4963 2
61 . 2 2 6 6 ILE CD1 C 13 12.62 0.30 . 1 . . . . . . . . 4963 2
62 . 2 2 6 6 ILE HD11 H 1 0.89 0.02 . 1 . . . . . . . . 4963 2
63 . 2 2 6 6 ILE HD12 H 1 0.89 0.02 . 1 . . . . . . . . 4963 2
64 . 2 2 6 6 ILE HD13 H 1 0.89 0.02 . 1 . . . . . . . . 4963 2
65 . 2 2 6 6 ILE CG2 C 13 17.04 0.30 . 1 . . . . . . . . 4963 2
66 . 2 2 6 6 ILE HG21 H 1 0.95 0.02 . 1 . . . . . . . . 4963 2
67 . 2 2 6 6 ILE HG22 H 1 0.95 0.02 . 1 . . . . . . . . 4963 2
68 . 2 2 6 6 ILE HG23 H 1 0.95 0.02 . 1 . . . . . . . . 4963 2
69 . 2 2 7 7 PRO N N 15 140.50 0.30 . 1 . . . . . . . . 4963 2
70 . 2 2 7 7 PRO CA C 13 62.99 0.30 . 1 . . . . . . . . 4963 2
71 . 2 2 7 7 PRO HA H 1 4.34 0.02 . 1 . . . . . . . . 4963 2
72 . 2 2 7 7 PRO CB C 13 31.98 0.30 . 1 . . . . . . . . 4963 2
73 . 2 2 7 7 PRO HB3 H 1 1.85 0.02 . 1 . . . . . . . . 4963 2
74 . 2 2 7 7 PRO HB2 H 1 2.21 0.02 . 1 . . . . . . . . 4963 2
75 . 2 2 7 7 PRO CG C 13 26.91 0.30 . 1 . . . . . . . . 4963 2
76 . 2 2 7 7 PRO HG3 H 1 1.68 0.02 . 2 . . . . . . . . 4963 2
77 . 2 2 7 7 PRO HG2 H 1 1.72 0.02 . 2 . . . . . . . . 4963 2
78 . 2 2 7 7 PRO CD C 13 50.58 0.30 . 1 . . . . . . . . 4963 2
79 . 2 2 7 7 PRO HD3 H 1 3.32 0.02 . 2 . . . . . . . . 4963 2
80 . 2 2 7 7 PRO HD2 H 1 3.75 0.02 . 2 . . . . . . . . 4963 2
81 . 2 2 7 7 PRO C C 13 176.83 0.30 . 1 . . . . . . . . 4963 2
82 . 2 2 8 8 GLY N N 15 109.06 0.30 . 1 . . . . . . . . 4963 2
83 . 2 2 8 8 GLY H H 1 8.46 0.02 . 1 . . . . . . . . 4963 2
84 . 2 2 8 8 GLY CA C 13 44.98 0.30 . 1 . . . . . . . . 4963 2
85 . 2 2 8 8 GLY HA3 H 1 3.96 0.02 . 2 . . . . . . . . 4963 2
86 . 2 2 8 8 GLY HA2 H 1 4.04 0.02 . 2 . . . . . . . . 4963 2
87 . 2 2 8 8 GLY C C 13 173.97 0.30 . 1 . . . . . . . . 4963 2
88 . 2 2 9 9 THR N N 15 115.17 0.30 . 1 . . . . . . . . 4963 2
89 . 2 2 9 9 THR H H 1 7.78 0.02 . 1 . . . . . . . . 4963 2
90 . 2 2 9 9 THR CA C 13 59.34 0.30 . 1 . . . . . . . . 4963 2
91 . 2 2 9 9 THR HA H 1 4.72 0.02 . 1 . . . . . . . . 4963 2
92 . 2 2 9 9 THR CB C 13 69.45 0.30 . 1 . . . . . . . . 4963 2
93 . 2 2 9 9 THR HB H 1 4.29 0.02 . 1 . . . . . . . . 4963 2
94 . 2 2 9 9 THR CG2 C 13 21.51 0.30 . 1 . . . . . . . . 4963 2
95 . 2 2 9 9 THR HG21 H 1 1.34 0.02 . 1 . . . . . . . . 4963 2
96 . 2 2 9 9 THR HG22 H 1 1.34 0.02 . 1 . . . . . . . . 4963 2
97 . 2 2 9 9 THR HG23 H 1 1.34 0.02 . 1 . . . . . . . . 4963 2
98 . 2 2 10 10 PRO N N 15 139.57 0.30 . 1 . . . . . . . . 4963 2
99 . 2 2 10 10 PRO CA C 13 62.04 0.30 . 1 . . . . . . . . 4963 2
100 . 2 2 10 10 PRO HA H 1 4.91 0.02 . 1 . . . . . . . . 4963 2
101 . 2 2 10 10 PRO CB C 13 30.62 0.30 . 1 . . . . . . . . 4963 2
102 . 2 2 10 10 PRO HB3 H 1 1.94 0.02 . 1 . . . . . . . . 4963 2
103 . 2 2 10 10 PRO HB2 H 1 2.38 0.02 . 1 . . . . . . . . 4963 2
104 . 2 2 10 10 PRO CG C 13 27.00 0.30 . 1 . . . . . . . . 4963 2
105 . 2 2 10 10 PRO HG3 H 1 2.04 0.02 . 1 . . . . . . . . 4963 2
106 . 2 2 10 10 PRO HG2 H 1 2.04 0.02 . 1 . . . . . . . . 4963 2
107 . 2 2 10 10 PRO CD C 13 50.94 0.30 . 1 . . . . . . . . 4963 2
108 . 2 2 10 10 PRO HD3 H 1 3.74 0.02 . 2 . . . . . . . . 4963 2
109 . 2 2 10 10 PRO HD2 H 1 3.91 0.02 . 2 . . . . . . . . 4963 2
110 . 2 2 11 11 PRO N N 15 134.98 0.30 . 1 . . . . . . . . 4963 2
111 . 2 2 11 11 PRO CA C 13 60.93 0.30 . 1 . . . . . . . . 4963 2
112 . 2 2 11 11 PRO HA H 1 3.71 0.02 . 1 . . . . . . . . 4963 2
113 . 2 2 11 11 PRO CB C 13 27.77 0.30 . 1 . . . . . . . . 4963 2
114 . 2 2 11 11 PRO HB3 H 1 0.71 0.02 . 1 . . . . . . . . 4963 2
115 . 2 2 11 11 PRO HB2 H 1 -0.06 0.02 . 1 . . . . . . . . 4963 2
116 . 2 2 11 11 PRO CG C 13 25.70 0.30 . 1 . . . . . . . . 4963 2
117 . 2 2 11 11 PRO HG3 H 1 1.24 0.02 . 2 . . . . . . . . 4963 2
118 . 2 2 11 11 PRO HG2 H 1 0.58 0.02 . 2 . . . . . . . . 4963 2
119 . 2 2 11 11 PRO CD C 13 48.72 0.30 . 1 . . . . . . . . 4963 2
120 . 2 2 11 11 PRO HD3 H 1 3.21 0.02 . 2 . . . . . . . . 4963 2
121 . 2 2 11 11 PRO HD2 H 1 3.06 0.02 . 2 . . . . . . . . 4963 2
122 . 2 2 12 12 PRO N N 15 133.83 0.30 . 1 . . . . . . . . 4963 2
123 . 2 2 12 12 PRO CA C 13 62.36 0.30 . 1 . . . . . . . . 4963 2
124 . 2 2 12 12 PRO HA H 1 3.85 0.02 . 1 . . . . . . . . 4963 2
125 . 2 2 12 12 PRO CB C 13 31.49 0.30 . 1 . . . . . . . . 4963 2
126 . 2 2 12 12 PRO HB3 H 1 1.11 0.02 . 1 . . . . . . . . 4963 2
127 . 2 2 12 12 PRO HB2 H 1 1.90 0.02 . 1 . . . . . . . . 4963 2
128 . 2 2 12 12 PRO CG C 13 27.53 0.30 . 1 . . . . . . . . 4963 2
129 . 2 2 12 12 PRO HG3 H 1 0.96 0.02 . 2 . . . . . . . . 4963 2
130 . 2 2 12 12 PRO HG2 H 1 1.10 0.02 . 2 . . . . . . . . 4963 2
131 . 2 2 12 12 PRO CD C 13 48.55 0.30 . 1 . . . . . . . . 4963 2
132 . 2 2 12 12 PRO HD3 H 1 1.34 0.02 . 2 . . . . . . . . 4963 2
133 . 2 2 12 12 PRO HD2 H 1 2.23 0.02 . 2 . . . . . . . . 4963 2
134 . 2 2 12 12 PRO C C 13 175.05 0.30 . 1 . . . . . . . . 4963 2
135 . 2 2 13 13 ASN N N 15 121.36 0.30 . 1 . . . . . . . . 4963 2
136 . 2 2 13 13 ASN H H 1 8.34 0.02 . 1 . . . . . . . . 4963 2
137 . 2 2 13 13 ASN CA C 13 52.95 0.30 . 1 . . . . . . . . 4963 2
138 . 2 2 13 13 ASN HA H 1 4.39 0.02 . 1 . . . . . . . . 4963 2
139 . 2 2 13 13 ASN CB C 13 38.52 0.30 . 1 . . . . . . . . 4963 2
140 . 2 2 13 13 ASN HB3 H 1 2.77 0.02 . 1 . . . . . . . . 4963 2
141 . 2 2 13 13 ASN HB2 H 1 2.77 0.02 . 1 . . . . . . . . 4963 2
142 . 2 2 13 13 ASN CG C 13 176.17 0.30 . 1 . . . . . . . . 4963 2
143 . 2 2 13 13 ASN ND2 N 15 113.38 0.30 . 1 . . . . . . . . 4963 2
144 . 2 2 13 13 ASN HD21 H 1 7.01 0.02 . 2 . . . . . . . . 4963 2
145 . 2 2 13 13 ASN HD22 H 1 7.72 0.02 . 2 . . . . . . . . 4963 2
146 . 2 2 13 13 ASN C C 13 176.53 0.30 . 1 . . . . . . . . 4963 2
147 . 2 2 14 14 TYR N N 15 125.94 0.30 . 1 . . . . . . . . 4963 2
148 . 2 2 14 14 TYR H H 1 9.15 0.02 . 1 . . . . . . . . 4963 2
149 . 2 2 14 14 TYR CA C 13 61.95 0.30 . 1 . . . . . . . . 4963 2
150 . 2 2 14 14 TYR HA H 1 3.56 0.02 . 1 . . . . . . . . 4963 2
151 . 2 2 14 14 TYR CB C 13 39.46 0.30 . 1 . . . . . . . . 4963 2
152 . 2 2 14 14 TYR HB3 H 1 2.83 0.02 . 1 . . . . . . . . 4963 2
153 . 2 2 14 14 TYR HB2 H 1 2.69 0.02 . 1 . . . . . . . . 4963 2
154 . 2 2 14 14 TYR CD1 C 13 132.38 0.30 . 2 . . . . . . . . 4963 2
155 . 2 2 14 14 TYR HD1 H 1 6.69 0.02 . 2 . . . . . . . . 4963 2
156 . 2 2 14 14 TYR CE1 C 13 117.71 0.30 . 2 . . . . . . . . 4963 2
157 . 2 2 14 14 TYR HE1 H 1 6.53 0.02 . 2 . . . . . . . . 4963 2
158 . 2 2 14 14 TYR C C 13 176.11 0.30 . 1 . . . . . . . . 4963 2
159 . 2 2 15 15 ASP N N 15 115.02 0.30 . 1 . . . . . . . . 4963 2
160 . 2 2 15 15 ASP H H 1 8.34 0.02 . 1 . . . . . . . . 4963 2
161 . 2 2 15 15 ASP CA C 13 55.28 0.30 . 1 . . . . . . . . 4963 2
162 . 2 2 15 15 ASP HA H 1 4.43 0.02 . 1 . . . . . . . . 4963 2
163 . 2 2 15 15 ASP CB C 13 39.97 0.30 . 1 . . . . . . . . 4963 2
164 . 2 2 15 15 ASP HB3 H 1 2.70 0.02 . 2 . . . . . . . . 4963 2
165 . 2 2 15 15 ASP HB2 H 1 2.75 0.02 . 2 . . . . . . . . 4963 2
166 . 2 2 15 15 ASP C C 13 176.11 0.30 . 1 . . . . . . . . 4963 2
167 . 2 2 16 16 SER N N 15 115.53 0.30 . 1 . . . . . . . . 4963 2
168 . 2 2 16 16 SER H H 1 7.83 0.02 . 1 . . . . . . . . 4963 2
169 . 2 2 16 16 SER CA C 13 58.18 0.30 . 1 . . . . . . . . 4963 2
170 . 2 2 16 16 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 4963 2
171 . 2 2 16 16 SER CB C 13 64.14 0.30 . 1 . . . . . . . . 4963 2
172 . 2 2 16 16 SER HB3 H 1 3.87 0.02 . 2 . . . . . . . . 4963 2
173 . 2 2 16 16 SER HB2 H 1 3.95 0.02 . 2 . . . . . . . . 4963 2
174 . 2 2 16 16 SER C C 13 173.35 0.30 . 1 . . . . . . . . 4963 2
175 . 2 2 17 17 LEU N N 15 127.75 0.30 . 1 . . . . . . . . 4963 2
176 . 2 2 17 17 LEU H H 1 6.98 0.02 . 1 . . . . . . . . 4963 2
177 . 2 2 17 17 LEU CA C 13 56.41 0.30 . 1 . . . . . . . . 4963 2
178 . 2 2 17 17 LEU HA H 1 3.98 0.02 . 1 . . . . . . . . 4963 2
179 . 2 2 17 17 LEU CB C 13 41.94 0.30 . 1 . . . . . . . . 4963 2
180 . 2 2 17 17 LEU HB3 H 1 1.34 0.02 . 1 . . . . . . . . 4963 2
181 . 2 2 17 17 LEU HB2 H 1 1.49 0.02 . 1 . . . . . . . . 4963 2
182 . 2 2 17 17 LEU CG C 13 26.21 0.30 . 1 . . . . . . . . 4963 2
183 . 2 2 17 17 LEU HG H 1 1.65 0.02 . 1 . . . . . . . . 4963 2
184 . 2 2 17 17 LEU CD1 C 13 26.50 0.30 . 1 . . . . . . . . 4963 2
185 . 2 2 17 17 LEU HD11 H 1 0.56 0.02 . 1 . . . . . . . . 4963 2
186 . 2 2 17 17 LEU HD12 H 1 0.56 0.02 . 1 . . . . . . . . 4963 2
187 . 2 2 17 17 LEU HD13 H 1 0.56 0.02 . 1 . . . . . . . . 4963 2
188 . 2 2 17 17 LEU CD2 C 13 22.42 0.30 . 1 . . . . . . . . 4963 2
189 . 2 2 17 17 LEU HD21 H 1 0.74 0.02 . 1 . . . . . . . . 4963 2
190 . 2 2 17 17 LEU HD22 H 1 0.74 0.02 . 1 . . . . . . . . 4963 2
191 . 2 2 17 17 LEU HD23 H 1 0.74 0.02 . 1 . . . . . . . . 4963 2
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