###################################
# 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 51938
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name IL1b_S2.xlsx
_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 '3D HNCACB' . . . 51938 1
2 '2D 1H-13C HMQC' . . . 51938 1
3 '2D 1H-15N HSQC' . . . 51938 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 . . 51938 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 2 2 PRO HA H 1 4.42 0.01 . . . . . . . 2 PRO HA . 51938 1
2 . 1 . 1 2 2 PRO CA C 13 62.18 0.10 . . . . . . . 2 PRO CA . 51938 1
3 . 1 . 1 2 2 PRO CB C 13 31.82 0.02 . . . . . . . 2 PRO CB . 51938 1
4 . 1 . 1 3 3 VAL H H 1 7.95 0.00 . . . . . . . 3 VAL H . 51938 1
5 . 1 . 1 3 3 VAL HA H 1 4.40 0.05 . . . . . . . 3 VAL HA . 51938 1
6 . 1 . 1 3 3 VAL CA C 13 61.48 0.46 . . . . . . . 3 VAL CA . 51938 1
7 . 1 . 1 3 3 VAL CB C 13 32.61 0.22 . . . . . . . 3 VAL CB . 51938 1
8 . 1 . 1 3 3 VAL N N 15 118.01 0.06 . . . . . . . 3 VAL N . 51938 1
9 . 1 . 1 4 4 ARG H H 1 8.87 0.01 . . . . . . . 4 ARG H . 51938 1
10 . 1 . 1 4 4 ARG HA H 1 4.40 0.03 . . . . . . . 4 ARG HA . 51938 1
11 . 1 . 1 4 4 ARG CA C 13 53.30 0.14 . . . . . . . 4 ARG CA . 51938 1
12 . 1 . 1 4 4 ARG CB C 13 32.68 0.05 . . . . . . . 4 ARG CB . 51938 1
13 . 1 . 1 4 4 ARG N N 15 127.81 0.05 . . . . . . . 4 ARG N . 51938 1
14 . 1 . 1 5 5 SER H H 1 7.91 0.01 . . . . . . . 5 SER H . 51938 1
15 . 1 . 1 5 5 SER HA H 1 5.66 0.01 . . . . . . . 5 SER HA . 51938 1
16 . 1 . 1 5 5 SER CA C 13 56.50 0.05 . . . . . . . 5 SER CA . 51938 1
17 . 1 . 1 5 5 SER CB C 13 65.51 0.19 . . . . . . . 5 SER CB . 51938 1
18 . 1 . 1 5 5 SER N N 15 113.13 0.11 . . . . . . . 5 SER N . 51938 1
19 . 1 . 1 6 6 LEU H H 1 9.15 0.01 . . . . . . . 6 LEU H . 51938 1
20 . 1 . 1 6 6 LEU HA H 1 4.70 0.01 . . . . . . . 6 LEU HA . 51938 1
21 . 1 . 1 6 6 LEU CA C 13 53.28 0.04 . . . . . . . 6 LEU CA . 51938 1
22 . 1 . 1 6 6 LEU CB C 13 45.91 0.27 . . . . . . . 6 LEU CB . 51938 1
23 . 1 . 1 6 6 LEU N N 15 123.80 0.05 . . . . . . . 6 LEU N . 51938 1
24 . 1 . 1 7 7 ASN H H 1 8.79 0.01 . . . . . . . 7 ASN H . 51938 1
25 . 1 . 1 7 7 ASN HA H 1 6.21 0.01 . . . . . . . 7 ASN HA . 51938 1
26 . 1 . 1 7 7 ASN CA C 13 51.44 0.13 . . . . . . . 7 ASN CA . 51938 1
27 . 1 . 1 7 7 ASN CB C 13 38.91 0.03 . . . . . . . 7 ASN CB . 51938 1
28 . 1 . 1 7 7 ASN N N 15 120.68 0.04 . . . . . . . 7 ASN N . 51938 1
29 . 1 . 1 8 8 CYS H H 1 9.61 0.01 . . . . . . . 8 CYS H . 51938 1
30 . 1 . 1 8 8 CYS HA H 1 5.64 0.16 . . . . . . . 8 CYS HA . 51938 1
31 . 1 . 1 8 8 CYS CA C 13 55.24 0.14 . . . . . . . 8 CYS CA . 51938 1
32 . 1 . 1 8 8 CYS CB C 13 32.33 0.21 . . . . . . . 8 CYS CB . 51938 1
33 . 1 . 1 8 8 CYS N N 15 118.08 0.05 . . . . . . . 8 CYS N . 51938 1
34 . 1 . 1 9 9 THR H H 1 8.97 0.01 . . . . . . . 9 THR H . 51938 1
35 . 1 . 1 9 9 THR HA H 1 5.00 0.01 . . . . . . . 9 THR HA . 51938 1
36 . 1 . 1 9 9 THR CA C 13 59.35 0.03 . . . . . . . 9 THR CA . 51938 1
37 . 1 . 1 9 9 THR CB C 13 71.50 0.01 . . . . . . . 9 THR CB . 51938 1
38 . 1 . 1 9 9 THR N N 15 109.47 0.03 . . . . . . . 9 THR N . 51938 1
39 . 1 . 1 10 10 LEU H H 1 9.39 0.01 . . . . . . . 10 LEU H . 51938 1
40 . 1 . 1 10 10 LEU HA H 1 5.36 0.00 . . . . . . . 10 LEU HA . 51938 1
41 . 1 . 1 10 10 LEU CA C 13 53.17 0.04 . . . . . . . 10 LEU CA . 51938 1
42 . 1 . 1 10 10 LEU CB C 13 46.49 0.01 . . . . . . . 10 LEU CB . 51938 1
43 . 1 . 1 10 10 LEU N N 15 120.48 0.04 . . . . . . . 10 LEU N . 51938 1
44 . 1 . 1 11 11 ARG H H 1 8.54 0.10 . . . . . . . 11 ARG H . 51938 1
45 . 1 . 1 11 11 ARG HA H 1 5.19 0.01 . . . . . . . 11 ARG HA . 51938 1
46 . 1 . 1 11 11 ARG CA C 13 53.69 0.02 . . . . . . . 11 ARG CA . 51938 1
47 . 1 . 1 11 11 ARG CB C 13 34.44 0.00 . . . . . . . 11 ARG CB . 51938 1
48 . 1 . 1 11 11 ARG N N 15 119.27 0.04 . . . . . . . 11 ARG N . 51938 1
49 . 1 . 1 12 12 ASP H H 1 8.70 0.01 . . . . . . . 12 ASP H . 51938 1
50 . 1 . 1 12 12 ASP CA C 13 52.68 0.00 . . . . . . . 12 ASP CA . 51938 1
51 . 1 . 1 12 12 ASP CB C 13 40.34 0.00 . . . . . . . 12 ASP CB . 51938 1
52 . 1 . 1 12 12 ASP N N 15 121.14 0.03 . . . . . . . 12 ASP N . 51938 1
53 . 1 . 1 13 13 SER H H 1 7.45 0.01 . . . . . . . 13 SER H . 51938 1
54 . 1 . 1 13 13 SER HA H 1 3.91 0.00 . . . . . . . 13 SER HA . 51938 1
55 . 1 . 1 13 13 SER CA C 13 59.88 0.00 . . . . . . . 13 SER CA . 51938 1
56 . 1 . 1 13 13 SER CB C 13 61.71 0.03 . . . . . . . 13 SER CB . 51938 1
57 . 1 . 1 13 13 SER N N 15 114.60 0.01 . . . . . . . 13 SER N . 51938 1
58 . 1 . 1 14 14 GLN H H 1 7.97 0.01 . . . . . . . 14 GLN H . 51938 1
59 . 1 . 1 14 14 GLN HA H 1 4.45 0.01 . . . . . . . 14 GLN HA . 51938 1
60 . 1 . 1 14 14 GLN CA C 13 54.82 0.06 . . . . . . . 14 GLN CA . 51938 1
61 . 1 . 1 14 14 GLN CB C 13 27.54 0.00 . . . . . . . 14 GLN CB . 51938 1
62 . 1 . 1 14 14 GLN N N 15 120.37 0.05 . . . . . . . 14 GLN N . 51938 1
63 . 1 . 1 15 15 GLN H H 1 8.36 0.00 . . . . . . . 15 GLN H . 51938 1
64 . 1 . 1 15 15 GLN HA H 1 3.61 0.01 . . . . . . . 15 GLN HA . 51938 1
65 . 1 . 1 15 15 GLN CA C 13 56.99 0.00 . . . . . . . 15 GLN CA . 51938 1
66 . 1 . 1 15 15 GLN CB C 13 24.44 0.01 . . . . . . . 15 GLN CB . 51938 1
67 . 1 . 1 15 15 GLN N N 15 111.03 0.34 . . . . . . . 15 GLN N . 51938 1
68 . 1 . 1 16 16 LYS H H 1 8.37 0.01 . . . . . . . 16 LYS H . 51938 1
69 . 1 . 1 16 16 LYS HA H 1 3.50 0.03 . . . . . . . 16 LYS HA . 51938 1
70 . 1 . 1 16 16 LYS CA C 13 58.78 0.09 . . . . . . . 16 LYS CA . 51938 1
71 . 1 . 1 16 16 LYS CB C 13 29.55 0.01 . . . . . . . 16 LYS CB . 51938 1
72 . 1 . 1 16 16 LYS N N 15 120.03 0.05 . . . . . . . 16 LYS N . 51938 1
73 . 1 . 1 17 17 SER H H 1 8.22 0.01 . . . . . . . 17 SER H . 51938 1
74 . 1 . 1 17 17 SER HA H 1 4.80 0.00 . . . . . . . 17 SER HA . 51938 1
75 . 1 . 1 17 17 SER CA C 13 58.91 0.00 . . . . . . . 17 SER CA . 51938 1
76 . 1 . 1 17 17 SER CB C 13 65.19 0.01 . . . . . . . 17 SER CB . 51938 1
77 . 1 . 1 17 17 SER N N 15 119.57 0.03 . . . . . . . 17 SER N . 51938 1
78 . 1 . 1 18 18 LEU H H 1 8.77 0.00 . . . . . . . 18 LEU H . 51938 1
79 . 1 . 1 18 18 LEU HA H 1 5.29 0.01 . . . . . . . 18 LEU HA . 51938 1
80 . 1 . 1 18 18 LEU CA C 13 54.14 0.02 . . . . . . . 18 LEU CA . 51938 1
81 . 1 . 1 18 18 LEU CB C 13 41.79 0.06 . . . . . . . 18 LEU CB . 51938 1
82 . 1 . 1 18 18 LEU N N 15 122.16 0.04 . . . . . . . 18 LEU N . 51938 1
83 . 1 . 1 19 19 VAL H H 1 8.74 0.01 . . . . . . . 19 VAL H . 51938 1
84 . 1 . 1 19 19 VAL HA H 1 4.60 0.01 . . . . . . . 19 VAL HA . 51938 1
85 . 1 . 1 19 19 VAL CA C 13 58.61 0.02 . . . . . . . 19 VAL CA . 51938 1
86 . 1 . 1 19 19 VAL CB C 13 35.70 0.09 . . . . . . . 19 VAL CB . 51938 1
87 . 1 . 1 19 19 VAL N N 15 115.38 0.05 . . . . . . . 19 VAL N . 51938 1
88 . 1 . 1 20 20 MET H H 1 8.66 0.01 . . . . . . . 20 MET H . 51938 1
89 . 1 . 1 20 20 MET HA H 1 4.82 0.01 . . . . . . . 20 MET HA . 51938 1
90 . 1 . 1 20 20 MET CA C 13 55.04 0.03 . . . . . . . 20 MET CA . 51938 1
91 . 1 . 1 20 20 MET CB C 13 31.35 0.04 . . . . . . . 20 MET CB . 51938 1
92 . 1 . 1 20 20 MET N N 15 120.45 0.14 . . . . . . . 20 MET N . 51938 1
93 . 1 . 1 21 21 SER H H 1 8.60 0.01 . . . . . . . 21 SER H . 51938 1
94 . 1 . 1 21 21 SER HA H 1 4.41 0.01 . . . . . . . 21 SER HA . 51938 1
95 . 1 . 1 21 21 SER CA C 13 56.36 0.00 . . . . . . . 21 SER CA . 51938 1
96 . 1 . 1 21 21 SER CB C 13 62.68 0.00 . . . . . . . 21 SER CB . 51938 1
97 . 1 . 1 21 21 SER N N 15 119.78 0.08 . . . . . . . 21 SER N . 51938 1
98 . 1 . 1 22 22 GLY H H 1 8.08 0.01 . . . . . . . 22 GLY H . 51938 1
99 . 1 . 1 22 22 GLY HA2 H 1 3.90 0.00 . . . . . . . 22 GLY HA2 . 51938 1
100 . 1 . 1 22 22 GLY HA3 H 1 4.05 0.00 . . . . . . . 22 GLY HA3 . 51938 1
101 . 1 . 1 22 22 GLY CA C 13 44.00 0.00 . . . . . . . 22 GLY CA . 51938 1
102 . 1 . 1 22 22 GLY N N 15 111.70 0.06 . . . . . . . 22 GLY N . 51938 1
103 . 1 . 1 23 23 PRO CA C 13 63.65 0.00 . . . . . . . 23 PRO CA . 51938 1
104 . 1 . 1 23 23 PRO CB C 13 30.92 0.00 . . . . . . . 23 PRO CB . 51938 1
105 . 1 . 1 24 24 TYR H H 1 7.99 0.00 . . . . . . . 24 TYR H . 51938 1
106 . 1 . 1 24 24 TYR HA H 1 4.70 0.00 . . . . . . . 24 TYR HA . 51938 1
107 . 1 . 1 24 24 TYR CA C 13 55.37 0.00 . . . . . . . 24 TYR CA . 51938 1
108 . 1 . 1 24 24 TYR CB C 13 38.82 0.00 . . . . . . . 24 TYR CB . 51938 1
109 . 1 . 1 24 24 TYR N N 15 110.32 0.13 . . . . . . . 24 TYR N . 51938 1
110 . 1 . 1 25 25 GLU H H 1 7.11 0.01 . . . . . . . 25 GLU H . 51938 1
111 . 1 . 1 25 25 GLU HA H 1 4.55 0.00 . . . . . . . 25 GLU HA . 51938 1
112 . 1 . 1 25 25 GLU CA C 13 55.46 0.02 . . . . . . . 25 GLU CA . 51938 1
113 . 1 . 1 25 25 GLU CB C 13 34.14 0.01 . . . . . . . 25 GLU CB . 51938 1
114 . 1 . 1 25 25 GLU N N 15 119.39 0.04 . . . . . . . 25 GLU N . 51938 1
115 . 1 . 1 26 26 LEU H H 1 8.59 0.03 . . . . . . . 26 LEU H . 51938 1
116 . 1 . 1 26 26 LEU HA H 1 5.17 0.01 . . . . . . . 26 LEU HA . 51938 1
117 . 1 . 1 26 26 LEU CA C 13 52.47 0.03 . . . . . . . 26 LEU CA . 51938 1
118 . 1 . 1 26 26 LEU CB C 13 44.99 0.02 . . . . . . . 26 LEU CB . 51938 1
119 . 1 . 1 26 26 LEU N N 15 122.92 0.04 . . . . . . . 26 LEU N . 51938 1
120 . 1 . 1 27 27 LYS H H 1 9.15 0.01 . . . . . . . 27 LYS H . 51938 1
121 . 1 . 1 27 27 LYS HA H 1 5.08 0.02 . . . . . . . 27 LYS HA . 51938 1
122 . 1 . 1 27 27 LYS CA C 13 54.57 0.07 . . . . . . . 27 LYS CA . 51938 1
123 . 1 . 1 27 27 LYS CB C 13 36.99 0.01 . . . . . . . 27 LYS CB . 51938 1
124 . 1 . 1 27 27 LYS N N 15 119.27 0.06 . . . . . . . 27 LYS N . 51938 1
125 . 1 . 1 28 28 ALA H H 1 7.52 0.00 . . . . . . . 28 ALA H . 51938 1
126 . 1 . 1 28 28 ALA HA H 1 6.09 0.01 . . . . . . . 28 ALA HA . 51938 1
127 . 1 . 1 28 28 ALA CA C 13 48.96 0.04 . . . . . . . 28 ALA CA . 51938 1
128 . 1 . 1 28 28 ALA CB C 13 21.17 0.08 . . . . . . . 28 ALA CB . 51938 1
129 . 1 . 1 28 28 ALA N N 15 118.73 0.06 . . . . . . . 28 ALA N . 51938 1
130 . 1 . 1 29 29 LEU H H 1 9.39 0.01 . . . . . . . 29 LEU H . 51938 1
131 . 1 . 1 29 29 LEU HA H 1 4.77 0.00 . . . . . . . 29 LEU HA . 51938 1
132 . 1 . 1 29 29 LEU CA C 13 55.05 0.00 . . . . . . . 29 LEU CA . 51938 1
133 . 1 . 1 29 29 LEU CB C 13 43.88 0.00 . . . . . . . 29 LEU CB . 51938 1
134 . 1 . 1 29 29 LEU N N 15 125.78 0.04 . . . . . . . 29 LEU N . 51938 1
135 . 1 . 1 30 30 HIS H H 1 10.14 0.01 . . . . . . . 30 HIS H . 51938 1
136 . 1 . 1 30 30 HIS HA H 1 4.57 0.00 . . . . . . . 30 HIS HA . 51938 1
137 . 1 . 1 30 30 HIS CA C 13 59.15 0.01 . . . . . . . 30 HIS CA . 51938 1
138 . 1 . 1 30 30 HIS CB C 13 27.38 0.01 . . . . . . . 30 HIS CB . 51938 1
139 . 1 . 1 30 30 HIS N N 15 122.02 0.03 . . . . . . . 30 HIS N . 51938 1
140 . 1 . 1 31 31 LEU H H 1 8.38 0.01 . . . . . . . 31 LEU H . 51938 1
141 . 1 . 1 31 31 LEU CA C 13 53.19 0.00 . . . . . . . 31 LEU CA . 51938 1
142 . 1 . 1 31 31 LEU CB C 13 44.36 0.00 . . . . . . . 31 LEU CB . 51938 1
143 . 1 . 1 31 31 LEU N N 15 126.03 0.04 . . . . . . . 31 LEU N . 51938 1
144 . 1 . 1 32 32 GLN H H 1 8.88 0.01 . . . . . . . 32 GLN H . 51938 1
145 . 1 . 1 32 32 GLN HA H 1 4.43 0.00 . . . . . . . 32 GLN HA . 51938 1
146 . 1 . 1 32 32 GLN CA C 13 54.42 0.00 . . . . . . . 32 GLN CA . 51938 1
147 . 1 . 1 32 32 GLN CB C 13 29.99 0.00 . . . . . . . 32 GLN CB . 51938 1
148 . 1 . 1 32 32 GLN N N 15 120.01 0.03 . . . . . . . 32 GLN N . 51938 1
149 . 1 . 1 33 33 GLY H H 1 8.73 0.01 . . . . . . . 33 GLY H . 51938 1
150 . 1 . 1 33 33 GLY HA2 H 1 3.67 0.01 . . . . . . . 33 GLY HA2 . 51938 1
151 . 1 . 1 33 33 GLY HA3 H 1 3.89 0.01 . . . . . . . 33 GLY HA3 . 51938 1
152 . 1 . 1 33 33 GLY CA C 13 46.43 0.02 . . . . . . . 33 GLY CA . 51938 1
153 . 1 . 1 33 33 GLY N N 15 109.55 0.05 . . . . . . . 33 GLY N . 51938 1
154 . 1 . 1 34 34 GLN H H 1 8.85 0.00 . . . . . . . 34 GLN H . 51938 1
155 . 1 . 1 34 34 GLN HA H 1 4.18 0.01 . . . . . . . 34 GLN HA . 51938 1
156 . 1 . 1 34 34 GLN CA C 13 56.66 0.01 . . . . . . . 34 GLN CA . 51938 1
157 . 1 . 1 34 34 GLN CB C 13 27.56 0.01 . . . . . . . 34 GLN CB . 51938 1
158 . 1 . 1 34 34 GLN N N 15 121.90 0.02 . . . . . . . 34 GLN N . 51938 1
159 . 1 . 1 35 35 ASP H H 1 7.89 0.01 . . . . . . . 35 ASP H . 51938 1
160 . 1 . 1 35 35 ASP HA H 1 4.66 0.00 . . . . . . . 35 ASP HA . 51938 1
161 . 1 . 1 35 35 ASP CA C 13 54.83 0.01 . . . . . . . 35 ASP CA . 51938 1
162 . 1 . 1 35 35 ASP CB C 13 40.55 0.00 . . . . . . . 35 ASP CB . 51938 1
163 . 1 . 1 35 35 ASP N N 15 118.85 0.05 . . . . . . . 35 ASP N . 51938 1
164 . 1 . 1 36 36 MET H H 1 7.60 0.01 . . . . . . . 36 MET H . 51938 1
165 . 1 . 1 36 36 MET HA H 1 4.12 0.01 . . . . . . . 36 MET HA . 51938 1
166 . 1 . 1 36 36 MET CA C 13 57.13 0.18 . . . . . . . 36 MET CA . 51938 1
167 . 1 . 1 36 36 MET CB C 13 31.63 0.32 . . . . . . . 36 MET CB . 51938 1
168 . 1 . 1 36 36 MET N N 15 118.14 0.07 . . . . . . . 36 MET N . 51938 1
169 . 1 . 1 37 37 GLU H H 1 8.05 0.00 . . . . . . . 37 GLU H . 51938 1
170 . 1 . 1 37 37 GLU HA H 1 4.12 0.01 . . . . . . . 37 GLU HA . 51938 1
171 . 1 . 1 37 37 GLU CA C 13 57.45 0.03 . . . . . . . 37 GLU CA . 51938 1
172 . 1 . 1 37 37 GLU CB C 13 28.42 0.00 . . . . . . . 37 GLU CB . 51938 1
173 . 1 . 1 37 37 GLU N N 15 117.46 0.15 . . . . . . . 37 GLU N . 51938 1
174 . 1 . 1 38 38 GLN H H 1 7.90 0.01 . . . . . . . 38 GLN H . 51938 1
175 . 1 . 1 38 38 GLN HA H 1 4.09 0.00 . . . . . . . 38 GLN HA . 51938 1
176 . 1 . 1 38 38 GLN CA C 13 55.99 0.00 . . . . . . . 38 GLN CA . 51938 1
177 . 1 . 1 38 38 GLN CB C 13 28.73 0.00 . . . . . . . 38 GLN CB . 51938 1
178 . 1 . 1 38 38 GLN N N 15 116.94 0.01 . . . . . . . 38 GLN N . 51938 1
179 . 1 . 1 39 39 GLN H H 1 7.47 0.01 . . . . . . . 39 GLN H . 51938 1
180 . 1 . 1 39 39 GLN HA H 1 4.33 0.01 . . . . . . . 39 GLN HA . 51938 1
181 . 1 . 1 39 39 GLN CA C 13 56.09 0.00 . . . . . . . 39 GLN CA . 51938 1
182 . 1 . 1 39 39 GLN CB C 13 29.20 0.00 . . . . . . . 39 GLN CB . 51938 1
183 . 1 . 1 39 39 GLN N N 15 117.13 0.05 . . . . . . . 39 GLN N . 51938 1
184 . 1 . 1 40 40 VAL H H 1 8.30 0.01 . . . . . . . 40 VAL H . 51938 1
185 . 1 . 1 40 40 VAL HA H 1 3.67 0.01 . . . . . . . 40 VAL HA . 51938 1
186 . 1 . 1 40 40 VAL CA C 13 61.83 0.09 . . . . . . . 40 VAL CA . 51938 1
187 . 1 . 1 40 40 VAL CB C 13 32.16 0.06 . . . . . . . 40 VAL CB . 51938 1
188 . 1 . 1 40 40 VAL N N 15 123.00 0.09 . . . . . . . 40 VAL N . 51938 1
189 . 1 . 1 41 41 VAL H H 1 7.68 0.01 . . . . . . . 41 VAL H . 51938 1
190 . 1 . 1 41 41 VAL HA H 1 4.17 0.00 . . . . . . . 41 VAL HA . 51938 1
191 . 1 . 1 41 41 VAL CA C 13 61.37 0.11 . . . . . . . 41 VAL CA . 51938 1
192 . 1 . 1 41 41 VAL CB C 13 31.56 0.00 . . . . . . . 41 VAL CB . 51938 1
193 . 1 . 1 41 41 VAL N N 15 123.89 0.05 . . . . . . . 41 VAL N . 51938 1
194 . 1 . 1 42 42 PHE H H 1 9.61 0.01 . . . . . . . 42 PHE H . 51938 1
195 . 1 . 1 42 42 PHE HA H 1 4.98 0.00 . . . . . . . 42 PHE HA . 51938 1
196 . 1 . 1 42 42 PHE CA C 13 56.80 0.01 . . . . . . . 42 PHE CA . 51938 1
197 . 1 . 1 42 42 PHE CB C 13 40.45 0.01 . . . . . . . 42 PHE CB . 51938 1
198 . 1 . 1 42 42 PHE N N 15 127.49 0.04 . . . . . . . 42 PHE N . 51938 1
199 . 1 . 1 43 43 SER H H 1 9.11 0.01 . . . . . . . 43 SER H . 51938 1
200 . 1 . 1 43 43 SER HA H 1 5.12 0.01 . . . . . . . 43 SER HA . 51938 1
201 . 1 . 1 43 43 SER CA C 13 56.01 0.10 . . . . . . . 43 SER CA . 51938 1
202 . 1 . 1 43 43 SER CB C 13 63.12 0.05 . . . . . . . 43 SER CB . 51938 1
203 . 1 . 1 43 43 SER N N 15 115.17 0.06 . . . . . . . 43 SER N . 51938 1
204 . 1 . 1 44 44 MET H H 1 9.66 0.01 . . . . . . . 44 MET H . 51938 1
205 . 1 . 1 44 44 MET HA H 1 5.54 0.01 . . . . . . . 44 MET HA . 51938 1
206 . 1 . 1 44 44 MET CA C 13 53.96 0.07 . . . . . . . 44 MET CA . 51938 1
207 . 1 . 1 44 44 MET CB C 13 35.22 0.15 . . . . . . . 44 MET CB . 51938 1
208 . 1 . 1 44 44 MET N N 15 131.96 0.06 . . . . . . . 44 MET N . 51938 1
209 . 1 . 1 45 45 SER H H 1 9.17 0.01 . . . . . . . 45 SER H . 51938 1
210 . 1 . 1 45 45 SER HA H 1 6.05 0.01 . . . . . . . 45 SER HA . 51938 1
211 . 1 . 1 45 45 SER CA C 13 57.25 0.24 . . . . . . . 45 SER CA . 51938 1
212 . 1 . 1 45 45 SER CB C 13 65.41 0.15 . . . . . . . 45 SER CB . 51938 1
213 . 1 . 1 45 45 SER N N 15 121.93 0.06 . . . . . . . 45 SER N . 51938 1
214 . 1 . 1 46 46 PHE H H 1 8.51 0.00 . . . . . . . 46 PHE H . 51938 1
215 . 1 . 1 46 46 PHE HA H 1 4.79 0.01 . . . . . . . 46 PHE HA . 51938 1
216 . 1 . 1 46 46 PHE CA C 13 54.98 0.13 . . . . . . . 46 PHE CA . 51938 1
217 . 1 . 1 46 46 PHE CB C 13 39.11 0.05 . . . . . . . 46 PHE CB . 51938 1
218 . 1 . 1 46 46 PHE N N 15 118.21 0.08 . . . . . . . 46 PHE N . 51938 1
219 . 1 . 1 47 47 VAL H H 1 9.67 0.00 . . . . . . . 47 VAL H . 51938 1
220 . 1 . 1 47 47 VAL HA H 1 3.88 0.01 . . . . . . . 47 VAL HA . 51938 1
221 . 1 . 1 47 47 VAL CA C 13 62.30 0.26 . . . . . . . 47 VAL CA . 51938 1
222 . 1 . 1 47 47 VAL CB C 13 31.27 0.00 . . . . . . . 47 VAL CB . 51938 1
223 . 1 . 1 47 47 VAL N N 15 121.50 0.07 . . . . . . . 47 VAL N . 51938 1
224 . 1 . 1 48 48 GLN H H 1 8.35 0.01 . . . . . . . 48 GLN H . 51938 1
225 . 1 . 1 48 48 GLN HA H 1 4.00 0.01 . . . . . . . 48 GLN HA . 51938 1
226 . 1 . 1 48 48 GLN CA C 13 57.17 0.26 . . . . . . . 48 GLN CA . 51938 1
227 . 1 . 1 48 48 GLN CB C 13 29.05 0.04 . . . . . . . 48 GLN CB . 51938 1
228 . 1 . 1 48 48 GLN N N 15 126.92 0.05 . . . . . . . 48 GLN N . 51938 1
229 . 1 . 1 49 49 GLY H H 1 9.15 0.00 . . . . . . . 49 GLY H . 51938 1
230 . 1 . 1 49 49 GLY HA2 H 1 3.84 0.01 . . . . . . . 49 GLY HA2 . 51938 1
231 . 1 . 1 49 49 GLY HA3 H 1 4.27 0.01 . . . . . . . 49 GLY HA3 . 51938 1
232 . 1 . 1 49 49 GLY CA C 13 44.44 0.08 . . . . . . . 49 GLY CA . 51938 1
233 . 1 . 1 49 49 GLY N N 15 115.01 0.06 . . . . . . . 49 GLY N . 51938 1
234 . 1 . 1 50 50 GLU H H 1 7.99 0.01 . . . . . . . 50 GLU H . 51938 1
235 . 1 . 1 50 50 GLU HA H 1 4.30 0.02 . . . . . . . 50 GLU HA . 51938 1
236 . 1 . 1 50 50 GLU CA C 13 56.34 0.08 . . . . . . . 50 GLU CA . 51938 1
237 . 1 . 1 50 50 GLU CB C 13 29.07 0.06 . . . . . . . 50 GLU CB . 51938 1
238 . 1 . 1 50 50 GLU N N 15 120.03 0.16 . . . . . . . 50 GLU N . 51938 1
239 . 1 . 1 51 51 GLU H H 1 9.23 0.00 . . . . . . . 51 GLU H . 51938 1
240 . 1 . 1 51 51 GLU HA H 1 3.87 0.01 . . . . . . . 51 GLU HA . 51938 1
241 . 1 . 1 51 51 GLU CA C 13 58.79 0.11 . . . . . . . 51 GLU CA . 51938 1
242 . 1 . 1 51 51 GLU CB C 13 28.55 0.01 . . . . . . . 51 GLU CB . 51938 1
243 . 1 . 1 51 51 GLU N N 15 118.05 0.07 . . . . . . . 51 GLU N . 51938 1
244 . 1 . 1 52 52 SER H H 1 8.15 0.00 . . . . . . . 52 SER H . 51938 1
245 . 1 . 1 52 52 SER HA H 1 4.45 0.01 . . . . . . . 52 SER HA . 51938 1
246 . 1 . 1 52 52 SER CA C 13 57.64 0.23 . . . . . . . 52 SER CA . 51938 1
247 . 1 . 1 52 52 SER CB C 13 62.92 0.11 . . . . . . . 52 SER CB . 51938 1
248 . 1 . 1 52 52 SER N N 15 114.03 0.06 . . . . . . . 52 SER N . 51938 1
249 . 1 . 1 53 53 ASN H H 1 7.89 0.01 . . . . . . . 53 ASN H . 51938 1
250 . 1 . 1 53 53 ASN HA H 1 4.61 0.01 . . . . . . . 53 ASN HA . 51938 1
251 . 1 . 1 53 53 ASN CA C 13 52.48 0.21 . . . . . . . 53 ASN CA . 51938 1
252 . 1 . 1 53 53 ASN CB C 13 38.51 0.19 . . . . . . . 53 ASN CB . 51938 1
253 . 1 . 1 53 53 ASN N N 15 121.78 0.22 . . . . . . . 53 ASN N . 51938 1
254 . 1 . 1 54 54 ASP H H 1 8.39 0.00 . . . . . . . 54 ASP H . 51938 1
255 . 1 . 1 54 54 ASP HA H 1 4.34 0.01 . . . . . . . 54 ASP HA . 51938 1
256 . 1 . 1 54 54 ASP CA C 13 55.61 0.14 . . . . . . . 54 ASP CA . 51938 1
257 . 1 . 1 54 54 ASP CB C 13 40.26 0.11 . . . . . . . 54 ASP CB . 51938 1
258 . 1 . 1 54 54 ASP N N 15 119.20 0.05 . . . . . . . 54 ASP N . 51938 1
259 . 1 . 1 55 55 LYS H H 1 7.51 0.00 . . . . . . . 55 LYS H . 51938 1
260 . 1 . 1 55 55 LYS HA H 1 4.82 0.01 . . . . . . . 55 LYS HA . 51938 1
261 . 1 . 1 55 55 LYS CA C 13 55.00 0.09 . . . . . . . 55 LYS CA . 51938 1
262 . 1 . 1 55 55 LYS CB C 13 33.71 0.07 . . . . . . . 55 LYS CB . 51938 1
263 . 1 . 1 55 55 LYS N N 15 118.82 0.06 . . . . . . . 55 LYS N . 51938 1
264 . 1 . 1 56 56 ILE H H 1 8.40 0.01 . . . . . . . 56 ILE H . 51938 1
265 . 1 . 1 56 56 ILE HA H 1 4.77 0.01 . . . . . . . 56 ILE HA . 51938 1
266 . 1 . 1 56 56 ILE CA C 13 57.54 0.18 . . . . . . . 56 ILE CA . 51938 1
267 . 1 . 1 56 56 ILE CB C 13 42.12 0.10 . . . . . . . 56 ILE CB . 51938 1
268 . 1 . 1 56 56 ILE N N 15 124.59 0.05 . . . . . . . 56 ILE N . 51938 1
269 . 1 . 1 57 57 PRO HA H 1 5.25 0.01 . . . . . . . 57 PRO HA . 51938 1
270 . 1 . 1 57 57 PRO CA C 13 61.80 0.13 . . . . . . . 57 PRO CA . 51938 1
271 . 1 . 1 57 57 PRO CB C 13 32.90 0.08 . . . . . . . 57 PRO CB . 51938 1
272 . 1 . 1 58 58 VAL H H 1 10.09 0.00 . . . . . . . 58 VAL H . 51938 1
273 . 1 . 1 58 58 VAL HA H 1 6.01 0.00 . . . . . . . 58 VAL HA . 51938 1
274 . 1 . 1 58 58 VAL CA C 13 58.16 0.07 . . . . . . . 58 VAL CA . 51938 1
275 . 1 . 1 58 58 VAL CB C 13 36.69 0.04 . . . . . . . 58 VAL CB . 51938 1
276 . 1 . 1 58 58 VAL N N 15 116.43 0.06 . . . . . . . 58 VAL N . 51938 1
277 . 1 . 1 59 59 ALA H H 1 9.16 0.01 . . . . . . . 59 ALA H . 51938 1
278 . 1 . 1 59 59 ALA HA H 1 5.52 0.01 . . . . . . . 59 ALA HA . 51938 1
279 . 1 . 1 59 59 ALA CA C 13 50.25 0.03 . . . . . . . 59 ALA CA . 51938 1
280 . 1 . 1 59 59 ALA CB C 13 23.51 0.12 . . . . . . . 59 ALA CB . 51938 1
281 . 1 . 1 59 59 ALA N N 15 120.88 0.14 . . . . . . . 59 ALA N . 51938 1
282 . 1 . 1 60 60 LEU H H 1 10.66 0.00 . . . . . . . 60 LEU H . 51938 1
283 . 1 . 1 60 60 LEU HA H 1 4.83 0.01 . . . . . . . 60 LEU HA . 51938 1
284 . 1 . 1 60 60 LEU CA C 13 53.67 0.10 . . . . . . . 60 LEU CA . 51938 1
285 . 1 . 1 60 60 LEU CB C 13 44.99 0.02 . . . . . . . 60 LEU CB . 51938 1
286 . 1 . 1 60 60 LEU N N 15 124.43 0.06 . . . . . . . 60 LEU N . 51938 1
287 . 1 . 1 61 61 GLY H H 1 8.26 0.00 . . . . . . . 61 GLY H . 51938 1
288 . 1 . 1 61 61 GLY CA C 13 42.12 0.00 . . . . . . . 61 GLY CA . 51938 1
289 . 1 . 1 61 61 GLY N N 15 110.22 0.00 . . . . . . . 61 GLY N . 51938 1
290 . 1 . 1 69 69 LEU H H 1 8.37 0.00 . . . . . . . 69 LEU H . 51938 1
291 . 1 . 1 69 69 LEU HA H 1 4.86 0.00 . . . . . . . 69 LEU HA . 51938 1
292 . 1 . 1 69 69 LEU CA C 13 56.34 0.03 . . . . . . . 69 LEU CA . 51938 1
293 . 1 . 1 69 69 LEU CB C 13 41.68 0.00 . . . . . . . 69 LEU CB . 51938 1
294 . 1 . 1 69 69 LEU N N 15 121.24 0.08 . . . . . . . 69 LEU N . 51938 1
295 . 1 . 1 70 70 SER H H 1 9.14 0.01 . . . . . . . 70 SER H . 51938 1
296 . 1 . 1 70 70 SER HA H 1 5.13 0.01 . . . . . . . 70 SER HA . 51938 1
297 . 1 . 1 70 70 SER CA C 13 55.69 0.33 . . . . . . . 70 SER CA . 51938 1
298 . 1 . 1 70 70 SER CB C 13 66.94 0.04 . . . . . . . 70 SER CB . 51938 1
299 . 1 . 1 70 70 SER N N 15 116.03 0.05 . . . . . . . 70 SER N . 51938 1
300 . 1 . 1 71 71 CYS H H 1 8.19 0.01 . . . . . . . 71 CYS H . 51938 1
301 . 1 . 1 71 71 CYS HA H 1 5.44 0.00 . . . . . . . 71 CYS HA . 51938 1
302 . 1 . 1 71 71 CYS CA C 13 56.25 0.05 . . . . . . . 71 CYS CA . 51938 1
303 . 1 . 1 71 71 CYS CB C 13 29.58 0.01 . . . . . . . 71 CYS CB . 51938 1
304 . 1 . 1 71 71 CYS N N 15 119.58 0.08 . . . . . . . 71 CYS N . 51938 1
305 . 1 . 1 72 72 VAL H H 1 8.71 0.00 . . . . . . . 72 VAL H . 51938 1
306 . 1 . 1 72 72 VAL HA H 1 4.48 0.00 . . . . . . . 72 VAL HA . 51938 1
307 . 1 . 1 72 72 VAL CA C 13 58.19 0.03 . . . . . . . 72 VAL CA . 51938 1
308 . 1 . 1 72 72 VAL CB C 13 35.82 0.16 . . . . . . . 72 VAL CB . 51938 1
309 . 1 . 1 72 72 VAL N N 15 117.01 0.05 . . . . . . . 72 VAL N . 51938 1
310 . 1 . 1 73 73 LEU H H 1 8.49 0.01 . . . . . . . 73 LEU H . 51938 1
311 . 1 . 1 73 73 LEU CA C 13 53.94 0.02 . . . . . . . 73 LEU CA . 51938 1
312 . 1 . 1 73 73 LEU CB C 13 42.27 0.05 . . . . . . . 73 LEU CB . 51938 1
313 . 1 . 1 73 73 LEU N N 15 123.55 0.01 . . . . . . . 73 LEU N . 51938 1
314 . 1 . 1 74 74 LYS H H 1 8.15 0.01 . . . . . . . 74 LYS H . 51938 1
315 . 1 . 1 74 74 LYS CA C 13 55.23 0.03 . . . . . . . 74 LYS CA . 51938 1
316 . 1 . 1 74 74 LYS CB C 13 33.69 0.01 . . . . . . . 74 LYS CB . 51938 1
317 . 1 . 1 74 74 LYS N N 15 126.14 0.01 . . . . . . . 74 LYS N . 51938 1
318 . 1 . 1 75 75 ASP H H 1 9.23 0.00 . . . . . . . 75 ASP H . 51938 1
319 . 1 . 1 75 75 ASP CA C 13 55.33 0.00 . . . . . . . 75 ASP CA . 51938 1
320 . 1 . 1 75 75 ASP CB C 13 38.80 0.01 . . . . . . . 75 ASP CB . 51938 1
321 . 1 . 1 75 75 ASP N N 15 127.88 0.02 . . . . . . . 75 ASP N . 51938 1
322 . 1 . 1 76 76 ASP H H 1 8.44 0.00 . . . . . . . 76 ASP H . 51938 1
323 . 1 . 1 76 76 ASP CA C 13 55.40 0.02 . . . . . . . 76 ASP CA . 51938 1
324 . 1 . 1 76 76 ASP CB C 13 39.71 0.00 . . . . . . . 76 ASP CB . 51938 1
325 . 1 . 1 76 76 ASP N N 15 109.60 0.01 . . . . . . . 76 ASP N . 51938 1
326 . 1 . 1 77 77 LYS H H 1 7.63 0.01 . . . . . . . 77 LYS H . 51938 1
327 . 1 . 1 77 77 LYS HA H 1 4.54 0.00 . . . . . . . 77 LYS HA . 51938 1
328 . 1 . 1 77 77 LYS CA C 13 52.55 0.03 . . . . . . . 77 LYS CA . 51938 1
329 . 1 . 1 77 77 LYS CB C 13 34.28 0.00 . . . . . . . 77 LYS CB . 51938 1
330 . 1 . 1 77 77 LYS N N 15 119.96 0.03 . . . . . . . 77 LYS N . 51938 1
331 . 1 . 1 78 78 PRO CA C 13 62.92 0.01 . . . . . . . 78 PRO CA . 51938 1
332 . 1 . 1 78 78 PRO CB C 13 30.78 0.00 . . . . . . . 78 PRO CB . 51938 1
333 . 1 . 1 79 79 THR H H 1 8.70 0.01 . . . . . . . 79 THR H . 51938 1
334 . 1 . 1 79 79 THR HA H 1 4.46 0.01 . . . . . . . 79 THR HA . 51938 1
335 . 1 . 1 79 79 THR CA C 13 61.78 0.02 . . . . . . . 79 THR CA . 51938 1
336 . 1 . 1 79 79 THR CB C 13 72.31 0.09 . . . . . . . 79 THR CB . 51938 1
337 . 1 . 1 79 79 THR N N 15 119.63 0.09 . . . . . . . 79 THR N . 51938 1
338 . 1 . 1 80 80 LEU H H 1 8.82 0.01 . . . . . . . 80 LEU H . 51938 1
339 . 1 . 1 80 80 LEU HA H 1 5.04 0.01 . . . . . . . 80 LEU HA . 51938 1
340 . 1 . 1 80 80 LEU CA C 13 53.45 0.02 . . . . . . . 80 LEU CA . 51938 1
341 . 1 . 1 80 80 LEU CB C 13 43.92 0.10 . . . . . . . 80 LEU CB . 51938 1
342 . 1 . 1 80 80 LEU N N 15 126.76 0.13 . . . . . . . 80 LEU N . 51938 1
343 . 1 . 1 81 81 GLN H H 1 9.69 0.01 . . . . . . . 81 GLN H . 51938 1
344 . 1 . 1 81 81 GLN HA H 1 4.87 0.01 . . . . . . . 81 GLN HA . 51938 1
345 . 1 . 1 81 81 GLN CA C 13 53.12 0.02 . . . . . . . 81 GLN CA . 51938 1
346 . 1 . 1 81 81 GLN CB C 13 31.38 0.00 . . . . . . . 81 GLN CB . 51938 1
347 . 1 . 1 81 81 GLN N N 15 126.46 0.10 . . . . . . . 81 GLN N . 51938 1
348 . 1 . 1 82 82 LEU H H 1 8.54 0.00 . . . . . . . 82 LEU H . 51938 1
349 . 1 . 1 82 82 LEU HA H 1 5.15 0.00 . . . . . . . 82 LEU HA . 51938 1
350 . 1 . 1 82 82 LEU N N 15 122.96 0.03 . . . . . . . 82 LEU N . 51938 1
351 . 1 . 1 83 83 GLU H H 1 9.02 0.00 . . . . . . . 83 GLU H . 51938 1
352 . 1 . 1 83 83 GLU CA C 13 54.26 0.04 . . . . . . . 83 GLU CA . 51938 1
353 . 1 . 1 83 83 GLU CB C 13 32.93 0.00 . . . . . . . 83 GLU CB . 51938 1
354 . 1 . 1 83 83 GLU N N 15 124.28 0.00 . . . . . . . 83 GLU N . 51938 1
355 . 1 . 1 84 84 SER H H 1 8.67 0.00 . . . . . . . 84 SER H . 51938 1
356 . 1 . 1 84 84 SER HA H 1 4.50 0.00 . . . . . . . 84 SER HA . 51938 1
357 . 1 . 1 84 84 SER CA C 13 58.25 0.02 . . . . . . . 84 SER CA . 51938 1
358 . 1 . 1 84 84 SER CB C 13 63.33 0.00 . . . . . . . 84 SER CB . 51938 1
359 . 1 . 1 84 84 SER N N 15 121.32 0.08 . . . . . . . 84 SER N . 51938 1
360 . 1 . 1 85 85 VAL CB C 13 34.87 0.09 . . . . . . . 85 VAL CB . 51938 1
361 . 1 . 1 86 86 ASP H H 1 7.98 0.01 . . . . . . . 86 ASP H . 51938 1
362 . 1 . 1 86 86 ASP HA H 1 4.30 0.01 . . . . . . . 86 ASP HA . 51938 1
363 . 1 . 1 86 86 ASP N N 15 121.91 0.06 . . . . . . . 86 ASP N . 51938 1
364 . 1 . 1 87 87 PRO CB C 13 29.58 0.00 . . . . . . . 87 PRO CB . 51938 1
365 . 1 . 1 88 88 LYS H H 1 8.21 0.01 . . . . . . . 88 LYS H . 51938 1
366 . 1 . 1 88 88 LYS HA H 1 4.09 0.00 . . . . . . . 88 LYS HA . 51938 1
367 . 1 . 1 88 88 LYS CA C 13 57.51 0.03 . . . . . . . 88 LYS CA . 51938 1
368 . 1 . 1 88 88 LYS CB C 13 31.45 0.00 . . . . . . . 88 LYS CB . 51938 1
369 . 1 . 1 88 88 LYS N N 15 116.64 0.16 . . . . . . . 88 LYS N . 51938 1
370 . 1 . 1 89 89 ASN H H 1 7.71 0.01 . . . . . . . 89 ASN H . 51938 1
371 . 1 . 1 89 89 ASN HA H 1 4.71 0.00 . . . . . . . 89 ASN HA . 51938 1
372 . 1 . 1 89 89 ASN CA C 13 52.04 0.00 . . . . . . . 89 ASN CA . 51938 1
373 . 1 . 1 89 89 ASN CB C 13 40.50 0.00 . . . . . . . 89 ASN CB . 51938 1
374 . 1 . 1 89 89 ASN N N 15 113.69 0.09 . . . . . . . 89 ASN N . 51938 1
375 . 1 . 1 90 90 TYR H H 1 7.08 0.01 . . . . . . . 90 TYR H . 51938 1
376 . 1 . 1 90 90 TYR HA H 1 4.10 0.01 . . . . . . . 90 TYR HA . 51938 1
377 . 1 . 1 90 90 TYR CA C 13 56.24 0.04 . . . . . . . 90 TYR CA . 51938 1
378 . 1 . 1 90 90 TYR N N 15 116.31 0.02 . . . . . . . 90 TYR N . 51938 1
379 . 1 . 1 91 91 PRO HA H 1 4.17 0.01 . . . . . . . 91 PRO HA . 51938 1
380 . 1 . 1 91 91 PRO CA C 13 62.24 0.15 . . . . . . . 91 PRO CA . 51938 1
381 . 1 . 1 91 91 PRO CB C 13 33.61 0.00 . . . . . . . 91 PRO CB . 51938 1
382 . 1 . 1 92 92 LYS H H 1 6.82 0.01 . . . . . . . 92 LYS H . 51938 1
383 . 1 . 1 92 92 LYS HA H 1 4.17 0.01 . . . . . . . 92 LYS HA . 51938 1
384 . 1 . 1 92 92 LYS CA C 13 55.12 0.19 . . . . . . . 92 LYS CA . 51938 1
385 . 1 . 1 92 92 LYS CB C 13 34.85 0.14 . . . . . . . 92 LYS CB . 51938 1
386 . 1 . 1 92 92 LYS N N 15 120.95 0.07 . . . . . . . 92 LYS N . 51938 1
387 . 1 . 1 93 93 LYS H H 1 8.06 0.00 . . . . . . . 93 LYS H . 51938 1
388 . 1 . 1 93 93 LYS HA H 1 3.93 0.02 . . . . . . . 93 LYS HA . 51938 1
389 . 1 . 1 93 93 LYS CA C 13 59.00 0.28 . . . . . . . 93 LYS CA . 51938 1
390 . 1 . 1 93 93 LYS CB C 13 31.60 0.00 . . . . . . . 93 LYS CB . 51938 1
391 . 1 . 1 93 93 LYS N N 15 117.50 0.08 . . . . . . . 93 LYS N . 51938 1
392 . 1 . 1 94 94 LYS H H 1 8.01 0.00 . . . . . . . 94 LYS H . 51938 1
393 . 1 . 1 94 94 LYS HA H 1 4.38 0.01 . . . . . . . 94 LYS HA . 51938 1
394 . 1 . 1 94 94 LYS CA C 13 54.30 0.11 . . . . . . . 94 LYS CA . 51938 1
395 . 1 . 1 94 94 LYS CB C 13 31.06 0.04 . . . . . . . 94 LYS CB . 51938 1
396 . 1 . 1 94 94 LYS N N 15 119.23 0.07 . . . . . . . 94 LYS N . 51938 1
397 . 1 . 1 95 95 MET H H 1 5.34 0.00 . . . . . . . 95 MET H . 51938 1
398 . 1 . 1 95 95 MET HA H 1 3.96 0.00 . . . . . . . 95 MET HA . 51938 1
399 . 1 . 1 95 95 MET CA C 13 53.26 0.17 . . . . . . . 95 MET CA . 51938 1
400 . 1 . 1 95 95 MET CB C 13 31.73 0.04 . . . . . . . 95 MET CB . 51938 1
401 . 1 . 1 95 95 MET N N 15 120.94 0.06 . . . . . . . 95 MET N . 51938 1
402 . 1 . 1 96 96 GLU H H 1 9.75 0.01 . . . . . . . 96 GLU H . 51938 1
403 . 1 . 1 96 96 GLU HA H 1 4.09 0.01 . . . . . . . 96 GLU HA . 51938 1
404 . 1 . 1 96 96 GLU CA C 13 59.50 0.07 . . . . . . . 96 GLU CA . 51938 1
405 . 1 . 1 96 96 GLU CB C 13 26.66 0.00 . . . . . . . 96 GLU CB . 51938 1
406 . 1 . 1 96 96 GLU N N 15 125.85 0.06 . . . . . . . 96 GLU N . 51938 1
407 . 1 . 1 97 97 LYS H H 1 8.54 0.00 . . . . . . . 97 LYS H . 51938 1
408 . 1 . 1 97 97 LYS HA H 1 3.41 0.00 . . . . . . . 97 LYS HA . 51938 1
409 . 1 . 1 97 97 LYS CA C 13 59.79 0.11 . . . . . . . 97 LYS CA . 51938 1
410 . 1 . 1 97 97 LYS CB C 13 32.21 0.13 . . . . . . . 97 LYS CB . 51938 1
411 . 1 . 1 97 97 LYS N N 15 123.12 0.06 . . . . . . . 97 LYS N . 51938 1
412 . 1 . 1 98 98 ARG H H 1 7.95 0.00 . . . . . . . 98 ARG H . 51938 1
413 . 1 . 1 98 98 ARG HA H 1 3.71 0.01 . . . . . . . 98 ARG HA . 51938 1
414 . 1 . 1 98 98 ARG CA C 13 57.85 0.05 . . . . . . . 98 ARG CA . 51938 1
415 . 1 . 1 98 98 ARG CB C 13 27.07 0.02 . . . . . . . 98 ARG CB . 51938 1
416 . 1 . 1 98 98 ARG N N 15 114.44 0.06 . . . . . . . 98 ARG N . 51938 1
417 . 1 . 1 99 99 PHE H H 1 7.42 0.01 . . . . . . . 99 PHE H . 51938 1
418 . 1 . 1 99 99 PHE HA H 1 5.13 0.02 . . . . . . . 99 PHE HA . 51938 1
419 . 1 . 1 99 99 PHE CA C 13 56.87 0.05 . . . . . . . 99 PHE CA . 51938 1
420 . 1 . 1 99 99 PHE CB C 13 40.66 0.00 . . . . . . . 99 PHE CB . 51938 1
421 . 1 . 1 99 99 PHE N N 15 116.24 0.06 . . . . . . . 99 PHE N . 51938 1
422 . 1 . 1 100 100 VAL H H 1 7.25 0.05 . . . . . . . 100 VAL H . 51938 1
423 . 1 . 1 100 100 VAL HA H 1 4.50 0.01 . . . . . . . 100 VAL HA . 51938 1
424 . 1 . 1 100 100 VAL CA C 13 61.94 0.17 . . . . . . . 100 VAL CA . 51938 1
425 . 1 . 1 100 100 VAL CB C 13 31.58 0.27 . . . . . . . 100 VAL CB . 51938 1
426 . 1 . 1 100 100 VAL N N 15 117.92 0.07 . . . . . . . 100 VAL N . 51938 1
427 . 1 . 1 101 101 PHE H H 1 9.70 0.01 . . . . . . . 101 PHE H . 51938 1
428 . 1 . 1 101 101 PHE HA H 1 5.01 0.01 . . . . . . . 101 PHE HA . 51938 1
429 . 1 . 1 101 101 PHE CA C 13 55.13 0.07 . . . . . . . 101 PHE CA . 51938 1
430 . 1 . 1 101 101 PHE CB C 13 41.91 0.02 . . . . . . . 101 PHE CB . 51938 1
431 . 1 . 1 101 101 PHE N N 15 126.92 0.05 . . . . . . . 101 PHE N . 51938 1
432 . 1 . 1 102 102 ASN H H 1 10.29 0.01 . . . . . . . 102 ASN H . 51938 1
433 . 1 . 1 102 102 ASN HA H 1 4.94 0.01 . . . . . . . 102 ASN HA . 51938 1
434 . 1 . 1 102 102 ASN CA C 13 52.81 0.05 . . . . . . . 102 ASN CA . 51938 1
435 . 1 . 1 102 102 ASN CB C 13 39.92 0.01 . . . . . . . 102 ASN CB . 51938 1
436 . 1 . 1 102 102 ASN N N 15 121.07 0.05 . . . . . . . 102 ASN N . 51938 1
437 . 1 . 1 103 103 LYS H H 1 9.26 0.01 . . . . . . . 103 LYS H . 51938 1
438 . 1 . 1 103 103 LYS HA H 1 4.62 0.01 . . . . . . . 103 LYS HA . 51938 1
439 . 1 . 1 103 103 LYS CA C 13 55.20 0.03 . . . . . . . 103 LYS CA . 51938 1
440 . 1 . 1 103 103 LYS CB C 13 31.88 0.01 . . . . . . . 103 LYS CB . 51938 1
441 . 1 . 1 103 103 LYS N N 15 128.06 0.04 . . . . . . . 103 LYS N . 51938 1
442 . 1 . 1 104 104 ILE H H 1 9.05 0.00 . . . . . . . 104 ILE H . 51938 1
443 . 1 . 1 104 104 ILE HA H 1 4.51 0.01 . . . . . . . 104 ILE HA . 51938 1
444 . 1 . 1 104 104 ILE CA C 13 60.24 0.09 . . . . . . . 104 ILE CA . 51938 1
445 . 1 . 1 104 104 ILE CB C 13 40.77 0.02 . . . . . . . 104 ILE CB . 51938 1
446 . 1 . 1 104 104 ILE N N 15 132.55 0.06 . . . . . . . 104 ILE N . 51938 1
447 . 1 . 1 105 105 GLU H H 1 8.46 0.00 . . . . . . . 105 GLU H . 51938 1
448 . 1 . 1 105 105 GLU HA H 1 5.06 0.09 . . . . . . . 105 GLU HA . 51938 1
449 . 1 . 1 105 105 GLU CA C 13 54.50 0.08 . . . . . . . 105 GLU CA . 51938 1
450 . 1 . 1 105 105 GLU CB C 13 30.57 0.00 . . . . . . . 105 GLU CB . 51938 1
451 . 1 . 1 105 105 GLU N N 15 127.06 0.13 . . . . . . . 105 GLU N . 51938 1
452 . 1 . 1 106 106 ILE H H 1 8.59 0.01 . . . . . . . 106 ILE H . 51938 1
453 . 1 . 1 106 106 ILE HA H 1 4.21 0.01 . . . . . . . 106 ILE HA . 51938 1
454 . 1 . 1 106 106 ILE CA C 13 59.12 0.13 . . . . . . . 106 ILE CA . 51938 1
455 . 1 . 1 106 106 ILE CB C 13 39.88 0.01 . . . . . . . 106 ILE CB . 51938 1
456 . 1 . 1 106 106 ILE N N 15 125.88 0.04 . . . . . . . 106 ILE N . 51938 1
457 . 1 . 1 107 107 ASN H H 1 9.32 0.01 . . . . . . . 107 ASN H . 51938 1
458 . 1 . 1 107 107 ASN HA H 1 4.14 0.08 . . . . . . . 107 ASN HA . 51938 1
459 . 1 . 1 107 107 ASN CA C 13 54.02 0.01 . . . . . . . 107 ASN CA . 51938 1
460 . 1 . 1 107 107 ASN CB C 13 36.64 0.00 . . . . . . . 107 ASN CB . 51938 1
461 . 1 . 1 107 107 ASN N N 15 126.34 0.09 . . . . . . . 107 ASN N . 51938 1
462 . 1 . 1 108 108 ASN H H 1 8.84 0.01 . . . . . . . 108 ASN H . 51938 1
463 . 1 . 1 108 108 ASN HA H 1 4.24 0.01 . . . . . . . 108 ASN HA . 51938 1
464 . 1 . 1 108 108 ASN CA C 13 54.71 0.00 . . . . . . . 108 ASN CA . 51938 1
465 . 1 . 1 108 108 ASN CB C 13 37.21 0.01 . . . . . . . 108 ASN CB . 51938 1
466 . 1 . 1 108 108 ASN N N 15 109.43 0.05 . . . . . . . 108 ASN N . 51938 1
467 . 1 . 1 109 109 LYS H H 1 7.89 0.01 . . . . . . . 109 LYS H . 51938 1
468 . 1 . 1 109 109 LYS CA C 13 54.50 0.01 . . . . . . . 109 LYS CA . 51938 1
469 . 1 . 1 109 109 LYS CB C 13 34.93 0.01 . . . . . . . 109 LYS CB . 51938 1
470 . 1 . 1 109 109 LYS N N 15 120.01 0.04 . . . . . . . 109 LYS N . 51938 1
471 . 1 . 1 110 110 LEU H H 1 9.30 0.01 . . . . . . . 110 LEU H . 51938 1
472 . 1 . 1 110 110 LEU HA H 1 5.25 0.01 . . . . . . . 110 LEU HA . 51938 1
473 . 1 . 1 110 110 LEU CA C 13 53.32 0.00 . . . . . . . 110 LEU CA . 51938 1
474 . 1 . 1 110 110 LEU CB C 13 44.89 0.02 . . . . . . . 110 LEU CB . 51938 1
475 . 1 . 1 110 110 LEU N N 15 121.35 0.14 . . . . . . . 110 LEU N . 51938 1
476 . 1 . 1 111 111 GLU H H 1 8.56 0.01 . . . . . . . 111 GLU H . 51938 1
477 . 1 . 1 111 111 GLU HA H 1 4.94 0.01 . . . . . . . 111 GLU HA . 51938 1
478 . 1 . 1 111 111 GLU CA C 13 53.54 0.14 . . . . . . . 111 GLU CA . 51938 1
479 . 1 . 1 111 111 GLU CB C 13 33.09 0.06 . . . . . . . 111 GLU CB . 51938 1
480 . 1 . 1 111 111 GLU N N 15 118.50 0.06 . . . . . . . 111 GLU N . 51938 1
481 . 1 . 1 112 112 PHE H H 1 10.22 0.00 . . . . . . . 112 PHE H . 51938 1
482 . 1 . 1 112 112 PHE CA C 13 55.75 0.00 . . . . . . . 112 PHE CA . 51938 1
483 . 1 . 1 112 112 PHE CB C 13 41.29 0.02 . . . . . . . 112 PHE CB . 51938 1
484 . 1 . 1 112 112 PHE N N 15 119.58 0.05 . . . . . . . 112 PHE N . 51938 1
485 . 1 . 1 113 113 GLU H H 1 8.85 0.00 . . . . . . . 113 GLU H . 51938 1
486 . 1 . 1 113 113 GLU HA H 1 4.39 0.00 . . . . . . . 113 GLU HA . 51938 1
487 . 1 . 1 113 113 GLU CA C 13 52.93 0.00 . . . . . . . 113 GLU CA . 51938 1
488 . 1 . 1 113 113 GLU CB C 13 32.54 0.00 . . . . . . . 113 GLU CB . 51938 1
489 . 1 . 1 113 113 GLU N N 15 126.10 0.07 . . . . . . . 113 GLU N . 51938 1
490 . 1 . 1 114 114 SER H H 1 9.10 0.00 . . . . . . . 114 SER H . 51938 1
491 . 1 . 1 114 114 SER HA H 1 3.69 0.00 . . . . . . . 114 SER HA . 51938 1
492 . 1 . 1 114 114 SER CA C 13 59.02 0.01 . . . . . . . 114 SER CA . 51938 1
493 . 1 . 1 114 114 SER CB C 13 62.73 0.01 . . . . . . . 114 SER CB . 51938 1
494 . 1 . 1 114 114 SER N N 15 121.79 0.06 . . . . . . . 114 SER N . 51938 1
495 . 1 . 1 115 115 ALA H H 1 7.91 0.01 . . . . . . . 115 ALA H . 51938 1
496 . 1 . 1 115 115 ALA HA H 1 3.65 0.01 . . . . . . . 115 ALA HA . 51938 1
497 . 1 . 1 115 115 ALA CA C 13 53.12 0.04 . . . . . . . 115 ALA CA . 51938 1
498 . 1 . 1 115 115 ALA CB C 13 17.74 0.04 . . . . . . . 115 ALA CB . 51938 1
499 . 1 . 1 115 115 ALA N N 15 128.17 0.07 . . . . . . . 115 ALA N . 51938 1
500 . 1 . 1 116 116 GLN H H 1 7.56 0.01 . . . . . . . 116 GLN H . 51938 1
501 . 1 . 1 116 116 GLN HA H 1 3.37 0.01 . . . . . . . 116 GLN HA . 51938 1
502 . 1 . 1 116 116 GLN CA C 13 56.31 0.01 . . . . . . . 116 GLN CA . 51938 1
503 . 1 . 1 116 116 GLN CB C 13 28.62 0.01 . . . . . . . 116 GLN CB . 51938 1
504 . 1 . 1 116 116 GLN N N 15 115.70 0.04 . . . . . . . 116 GLN N . 51938 1
505 . 1 . 1 117 117 PHE H H 1 7.27 0.01 . . . . . . . 117 PHE H . 51938 1
506 . 1 . 1 117 117 PHE HA H 1 4.70 0.00 . . . . . . . 117 PHE HA . 51938 1
507 . 1 . 1 117 117 PHE CA C 13 52.64 0.00 . . . . . . . 117 PHE CA . 51938 1
508 . 1 . 1 117 117 PHE CB C 13 38.35 0.00 . . . . . . . 117 PHE CB . 51938 1
509 . 1 . 1 117 117 PHE N N 15 116.26 0.03 . . . . . . . 117 PHE N . 51938 1
510 . 1 . 1 118 118 PRO HA H 1 4.30 0.01 . . . . . . . 118 PRO HA . 51938 1
511 . 1 . 1 118 118 PRO CA C 13 62.99 0.09 . . . . . . . 118 PRO CA . 51938 1
512 . 1 . 1 118 118 PRO CB C 13 31.12 0.00 . . . . . . . 118 PRO CB . 51938 1
513 . 1 . 1 119 119 ASN H H 1 10.34 0.02 . . . . . . . 119 ASN H . 51938 1
514 . 1 . 1 119 119 ASN HA H 1 3.92 0.01 . . . . . . . 119 ASN HA . 51938 1
515 . 1 . 1 119 119 ASN CA C 13 55.08 0.01 . . . . . . . 119 ASN CA . 51938 1
516 . 1 . 1 119 119 ASN CB C 13 37.57 0.01 . . . . . . . 119 ASN CB . 51938 1
517 . 1 . 1 119 119 ASN N N 15 114.21 0.04 . . . . . . . 119 ASN N . 51938 1
518 . 1 . 1 120 120 TRP H H 1 7.96 0.00 . . . . . . . 120 TRP H . 51938 1
519 . 1 . 1 120 120 TRP HA H 1 4.92 0.00 . . . . . . . 120 TRP HA . 51938 1
520 . 1 . 1 120 120 TRP CA C 13 56.58 0.06 . . . . . . . 120 TRP CA . 51938 1
521 . 1 . 1 120 120 TRP CB C 13 28.32 0.02 . . . . . . . 120 TRP CB . 51938 1
522 . 1 . 1 120 120 TRP N N 15 119.14 0.12 . . . . . . . 120 TRP N . 51938 1
523 . 1 . 1 120 120 TRP NE1 N 15 128.59 0.00 . . . . . . . 120 TRP NE1 . 51938 1
524 . 1 . 1 121 121 TYR H H 1 9.38 0.01 . . . . . . . 121 TYR H . 51938 1
525 . 1 . 1 121 121 TYR HA H 1 5.56 0.01 . . . . . . . 121 TYR HA . 51938 1
526 . 1 . 1 121 121 TYR CA C 13 56.29 0.06 . . . . . . . 121 TYR CA . 51938 1
527 . 1 . 1 121 121 TYR CB C 13 41.40 0.00 . . . . . . . 121 TYR CB . 51938 1
528 . 1 . 1 121 121 TYR N N 15 119.25 0.04 . . . . . . . 121 TYR N . 51938 1
529 . 1 . 1 122 122 ILE H H 1 8.69 0.00 . . . . . . . 122 ILE H . 51938 1
530 . 1 . 1 122 122 ILE HA H 1 3.73 0.01 . . . . . . . 122 ILE HA . 51938 1
531 . 1 . 1 122 122 ILE CA C 13 65.69 0.01 . . . . . . . 122 ILE CA . 51938 1
532 . 1 . 1 122 122 ILE CB C 13 36.27 0.05 . . . . . . . 122 ILE CB . 51938 1
533 . 1 . 1 122 122 ILE N N 15 125.01 0.10 . . . . . . . 122 ILE N . 51938 1
534 . 1 . 1 123 123 SER H H 1 8.92 0.00 . . . . . . . 123 SER H . 51938 1
535 . 1 . 1 123 123 SER HA H 1 5.79 0.01 . . . . . . . 123 SER HA . 51938 1
536 . 1 . 1 123 123 SER CA C 13 56.89 0.01 . . . . . . . 123 SER CA . 51938 1
537 . 1 . 1 123 123 SER CB C 13 66.97 0.01 . . . . . . . 123 SER CB . 51938 1
538 . 1 . 1 123 123 SER N N 15 122.21 0.05 . . . . . . . 123 SER N . 51938 1
539 . 1 . 1 124 124 THR H H 1 8.97 0.01 . . . . . . . 124 THR H . 51938 1
540 . 1 . 1 124 124 THR HA H 1 4.75 0.00 . . . . . . . 124 THR HA . 51938 1
541 . 1 . 1 124 124 THR CA C 13 58.17 0.01 . . . . . . . 124 THR CA . 51938 1
542 . 1 . 1 124 124 THR CB C 13 70.49 0.03 . . . . . . . 124 THR CB . 51938 1
543 . 1 . 1 124 124 THR N N 15 109.79 0.10 . . . . . . . 124 THR N . 51938 1
544 . 1 . 1 125 125 SER H H 1 9.57 0.01 . . . . . . . 125 SER H . 51938 1
545 . 1 . 1 125 125 SER HA H 1 4.87 0.01 . . . . . . . 125 SER HA . 51938 1
546 . 1 . 1 125 125 SER CA C 13 56.51 0.02 . . . . . . . 125 SER CA . 51938 1
547 . 1 . 1 125 125 SER CB C 13 63.96 0.01 . . . . . . . 125 SER CB . 51938 1
548 . 1 . 1 125 125 SER N N 15 113.97 0.04 . . . . . . . 125 SER N . 51938 1
549 . 1 . 1 126 126 GLN H H 1 8.96 0.01 . . . . . . . 126 GLN H . 51938 1
550 . 1 . 1 126 126 GLN HA H 1 3.86 0.00 . . . . . . . 126 GLN HA . 51938 1
551 . 1 . 1 126 126 GLN CA C 13 57.98 0.03 . . . . . . . 126 GLN CA . 51938 1
552 . 1 . 1 126 126 GLN CB C 13 28.25 0.01 . . . . . . . 126 GLN CB . 51938 1
553 . 1 . 1 126 126 GLN N N 15 122.06 0.03 . . . . . . . 126 GLN N . 51938 1
554 . 1 . 1 127 127 ALA H H 1 8.11 0.00 . . . . . . . 127 ALA H . 51938 1
555 . 1 . 1 127 127 ALA HA H 1 4.27 0.01 . . . . . . . 127 ALA HA . 51938 1
556 . 1 . 1 127 127 ALA CA C 13 50.93 0.04 . . . . . . . 127 ALA CA . 51938 1
557 . 1 . 1 127 127 ALA CB C 13 19.21 0.05 . . . . . . . 127 ALA CB . 51938 1
558 . 1 . 1 127 127 ALA N N 15 120.82 0.05 . . . . . . . 127 ALA N . 51938 1
559 . 1 . 1 128 128 GLU H H 1 8.45 0.01 . . . . . . . 128 GLU H . 51938 1
560 . 1 . 1 128 128 GLU HA H 1 3.94 0.01 . . . . . . . 128 GLU HA . 51938 1
561 . 1 . 1 128 128 GLU CA C 13 55.96 0.03 . . . . . . . 128 GLU CA . 51938 1
562 . 1 . 1 128 128 GLU CB C 13 30.51 0.01 . . . . . . . 128 GLU CB . 51938 1
563 . 1 . 1 128 128 GLU N N 15 117.02 0.04 . . . . . . . 128 GLU N . 51938 1
564 . 1 . 1 129 129 ASN H H 1 8.03 0.01 . . . . . . . 129 ASN H . 51938 1
565 . 1 . 1 129 129 ASN HA H 1 4.08 0.01 . . . . . . . 129 ASN HA . 51938 1
566 . 1 . 1 129 129 ASN CA C 13 54.28 0.01 . . . . . . . 129 ASN CA . 51938 1
567 . 1 . 1 129 129 ASN CB C 13 37.43 0.01 . . . . . . . 129 ASN CB . 51938 1
568 . 1 . 1 129 129 ASN N N 15 113.64 0.07 . . . . . . . 129 ASN N . 51938 1
569 . 1 . 1 130 130 MET H H 1 8.86 0.01 . . . . . . . 130 MET H . 51938 1
570 . 1 . 1 130 130 MET HA H 1 5.16 0.01 . . . . . . . 130 MET HA . 51938 1
571 . 1 . 1 130 130 MET CA C 13 51.46 0.40 . . . . . . . 130 MET CA . 51938 1
572 . 1 . 1 130 130 MET CB C 13 31.90 0.47 . . . . . . . 130 MET CB . 51938 1
573 . 1 . 1 130 130 MET N N 15 117.74 0.05 . . . . . . . 130 MET N . 51938 1
574 . 1 . 1 131 131 PRO HA H 1 5.15 0.00 . . . . . . . 131 PRO HA . 51938 1
575 . 1 . 1 131 131 PRO CA C 13 62.32 0.04 . . . . . . . 131 PRO CA . 51938 1
576 . 1 . 1 132 132 VAL H H 1 8.00 0.02 . . . . . . . 132 VAL H . 51938 1
577 . 1 . 1 132 132 VAL HA H 1 4.34 0.01 . . . . . . . 132 VAL HA . 51938 1
578 . 1 . 1 132 132 VAL CA C 13 62.50 0.23 . . . . . . . 132 VAL CA . 51938 1
579 . 1 . 1 132 132 VAL CB C 13 31.55 0.03 . . . . . . . 132 VAL CB . 51938 1
580 . 1 . 1 132 132 VAL N N 15 125.68 0.04 . . . . . . . 132 VAL N . 51938 1
581 . 1 . 1 133 133 PHE H H 1 8.69 0.01 . . . . . . . 133 PHE H . 51938 1
582 . 1 . 1 133 133 PHE HA H 1 5.14 0.02 . . . . . . . 133 PHE HA . 51938 1
583 . 1 . 1 133 133 PHE CA C 13 55.03 0.00 . . . . . . . 133 PHE CA . 51938 1
584 . 1 . 1 133 133 PHE CB C 13 41.63 0.01 . . . . . . . 133 PHE CB . 51938 1
585 . 1 . 1 133 133 PHE N N 15 124.50 0.34 . . . . . . . 133 PHE N . 51938 1
586 . 1 . 1 134 134 LEU H H 1 8.68 0.05 . . . . . . . 134 LEU H . 51938 1
587 . 1 . 1 134 134 LEU HA H 1 5.10 0.01 . . . . . . . 134 LEU HA . 51938 1
588 . 1 . 1 134 134 LEU CA C 13 52.77 0.00 . . . . . . . 134 LEU CA . 51938 1
589 . 1 . 1 134 134 LEU CB C 13 43.34 0.00 . . . . . . . 134 LEU CB . 51938 1
590 . 1 . 1 134 134 LEU N N 15 120.01 0.12 . . . . . . . 134 LEU N . 51938 1
591 . 1 . 1 135 135 GLY H H 1 9.23 0.16 . . . . . . . 135 GLY H . 51938 1
592 . 1 . 1 135 135 GLY HA2 H 1 4.94 0.00 . . . . . . . 135 GLY HA2 . 51938 1
593 . 1 . 1 135 135 GLY HA3 H 1 3.95 0.00 . . . . . . . 135 GLY HA3 . 51938 1
594 . 1 . 1 135 135 GLY CA C 13 44.36 0.06 . . . . . . . 135 GLY CA . 51938 1
595 . 1 . 1 135 135 GLY N N 15 114.88 0.09 . . . . . . . 135 GLY N . 51938 1
596 . 1 . 1 136 136 GLY H H 1 8.41 0.01 . . . . . . . 136 GLY H . 51938 1
597 . 1 . 1 136 136 GLY HA3 H 1 3.74 0.00 . . . . . . . 136 GLY HA3 . 51938 1
598 . 1 . 1 136 136 GLY CA C 13 43.72 0.02 . . . . . . . 136 GLY CA . 51938 1
599 . 1 . 1 136 136 GLY N N 15 109.89 0.06 . . . . . . . 136 GLY N . 51938 1
600 . 1 . 1 137 137 THR H H 1 7.25 0.01 . . . . . . . 137 THR H . 51938 1
601 . 1 . 1 137 137 THR HA H 1 4.32 0.02 . . . . . . . 137 THR HA . 51938 1
602 . 1 . 1 137 137 THR CA C 13 60.69 0.00 . . . . . . . 137 THR CA . 51938 1
603 . 1 . 1 137 137 THR CB C 13 70.26 0.08 . . . . . . . 137 THR CB . 51938 1
604 . 1 . 1 137 137 THR N N 15 112.09 0.06 . . . . . . . 137 THR N . 51938 1
605 . 1 . 1 138 138 LYS H H 1 8.49 0.01 . . . . . . . 138 LYS H . 51938 1
606 . 1 . 1 138 138 LYS HA H 1 4.27 0.02 . . . . . . . 138 LYS HA . 51938 1
607 . 1 . 1 138 138 LYS CA C 13 55.37 0.01 . . . . . . . 138 LYS CA . 51938 1
608 . 1 . 1 138 138 LYS CB C 13 32.64 0.00 . . . . . . . 138 LYS CB . 51938 1
609 . 1 . 1 138 138 LYS N N 15 125.18 0.03 . . . . . . . 138 LYS N . 51938 1
610 . 1 . 1 139 139 GLY H H 1 8.80 0.02 . . . . . . . 139 GLY H . 51938 1
611 . 1 . 1 139 139 GLY HA2 H 1 3.73 0.00 . . . . . . . 139 GLY HA2 . 51938 1
612 . 1 . 1 139 139 GLY HA3 H 1 3.92 0.00 . . . . . . . 139 GLY HA3 . 51938 1
613 . 1 . 1 139 139 GLY CA C 13 45.01 0.01 . . . . . . . 139 GLY CA . 51938 1
614 . 1 . 1 139 139 GLY N N 15 111.57 0.06 . . . . . . . 139 GLY N . 51938 1
615 . 1 . 1 140 140 GLY H H 1 8.15 0.01 . . . . . . . 140 GLY H . 51938 1
616 . 1 . 1 140 140 GLY HA2 H 1 3.59 0.00 . . . . . . . 140 GLY HA2 . 51938 1
617 . 1 . 1 140 140 GLY HA3 H 1 4.22 0.02 . . . . . . . 140 GLY HA3 . 51938 1
618 . 1 . 1 140 140 GLY CA C 13 44.05 0.01 . . . . . . . 140 GLY CA . 51938 1
619 . 1 . 1 140 140 GLY N N 15 109.48 0.05 . . . . . . . 140 GLY N . 51938 1
620 . 1 . 1 141 141 GLN H H 1 8.45 0.01 . . . . . . . 141 GLN H . 51938 1
621 . 1 . 1 141 141 GLN HA H 1 4.13 0.00 . . . . . . . 141 GLN HA . 51938 1
622 . 1 . 1 141 141 GLN CA C 13 56.34 0.01 . . . . . . . 141 GLN CA . 51938 1
623 . 1 . 1 141 141 GLN CB C 13 28.88 0.01 . . . . . . . 141 GLN CB . 51938 1
624 . 1 . 1 141 141 GLN N N 15 120.13 0.08 . . . . . . . 141 GLN N . 51938 1
625 . 1 . 1 142 142 ASP H H 1 7.71 0.00 . . . . . . . 142 ASP H . 51938 1
626 . 1 . 1 142 142 ASP HA H 1 4.87 0.00 . . . . . . . 142 ASP HA . 51938 1
627 . 1 . 1 142 142 ASP CA C 13 53.93 0.00 . . . . . . . 142 ASP CA . 51938 1
628 . 1 . 1 142 142 ASP CB C 13 41.27 0.04 . . . . . . . 142 ASP CB . 51938 1
629 . 1 . 1 142 142 ASP N N 15 118.97 0.05 . . . . . . . 142 ASP N . 51938 1
630 . 1 . 1 143 143 ILE H H 1 9.23 0.02 . . . . . . . 143 ILE H . 51938 1
631 . 1 . 1 143 143 ILE HA H 1 3.89 0.01 . . . . . . . 143 ILE HA . 51938 1
632 . 1 . 1 143 143 ILE CA C 13 61.27 0.00 . . . . . . . 143 ILE CA . 51938 1
633 . 1 . 1 143 143 ILE CB C 13 36.47 0.00 . . . . . . . 143 ILE CB . 51938 1
634 . 1 . 1 143 143 ILE N N 15 126.02 0.04 . . . . . . . 143 ILE N . 51938 1
635 . 1 . 1 144 144 THR H H 1 8.05 0.01 . . . . . . . 144 THR H . 51938 1
636 . 1 . 1 144 144 THR HA H 1 4.92 0.00 . . . . . . . 144 THR HA . 51938 1
637 . 1 . 1 144 144 THR N N 15 111.69 0.12 . . . . . . . 144 THR N . 51938 1
638 . 1 . 1 145 145 ASP H H 1 7.40 0.03 . . . . . . . 145 ASP H . 51938 1
639 . 1 . 1 145 145 ASP HA H 1 5.64 0.00 . . . . . . . 145 ASP HA . 51938 1
640 . 1 . 1 145 145 ASP CA C 13 51.81 0.05 . . . . . . . 145 ASP CA . 51938 1
641 . 1 . 1 145 145 ASP CB C 13 42.79 0.02 . . . . . . . 145 ASP CB . 51938 1
642 . 1 . 1 145 145 ASP N N 15 119.76 0.06 . . . . . . . 145 ASP N . 51938 1
643 . 1 . 1 146 146 PHE H H 1 9.32 0.02 . . . . . . . 146 PHE H . 51938 1
644 . 1 . 1 146 146 PHE HA H 1 5.11 0.01 . . . . . . . 146 PHE HA . 51938 1
645 . 1 . 1 146 146 PHE CA C 13 56.32 0.01 . . . . . . . 146 PHE CA . 51938 1
646 . 1 . 1 146 146 PHE CB C 13 44.32 0.01 . . . . . . . 146 PHE CB . 51938 1
647 . 1 . 1 146 146 PHE N N 15 116.91 0.11 . . . . . . . 146 PHE N . 51938 1
648 . 1 . 1 147 147 THR H H 1 9.53 0.01 . . . . . . . 147 THR H . 51938 1
649 . 1 . 1 147 147 THR HA H 1 4.62 0.00 . . . . . . . 147 THR HA . 51938 1
650 . 1 . 1 147 147 THR CA C 13 60.17 0.02 . . . . . . . 147 THR CA . 51938 1
651 . 1 . 1 147 147 THR CB C 13 71.04 0.01 . . . . . . . 147 THR CB . 51938 1
652 . 1 . 1 147 147 THR N N 15 109.38 0.05 . . . . . . . 147 THR N . 51938 1
653 . 1 . 1 148 148 MET H H 1 8.64 0.00 . . . . . . . 148 MET H . 51938 1
654 . 1 . 1 148 148 MET HA H 1 5.27 0.02 . . . . . . . 148 MET HA . 51938 1
655 . 1 . 1 148 148 MET CA C 13 53.40 0.04 . . . . . . . 148 MET CA . 51938 1
656 . 1 . 1 148 148 MET CB C 13 36.96 0.16 . . . . . . . 148 MET CB . 51938 1
657 . 1 . 1 148 148 MET N N 15 121.15 0.08 . . . . . . . 148 MET N . 51938 1
658 . 1 . 1 149 149 GLN H H 1 8.31 0.00 . . . . . . . 149 GLN H . 51938 1
659 . 1 . 1 149 149 GLN HA H 1 4.53 0.00 . . . . . . . 149 GLN HA . 51938 1
660 . 1 . 1 149 149 GLN CA C 13 53.78 0.02 . . . . . . . 149 GLN CA . 51938 1
661 . 1 . 1 149 149 GLN CB C 13 29.67 0.00 . . . . . . . 149 GLN CB . 51938 1
662 . 1 . 1 149 149 GLN N N 15 123.31 0.10 . . . . . . . 149 GLN N . 51938 1
663 . 1 . 1 150 150 PHE H H 1 8.81 0.00 . . . . . . . 150 PHE H . 51938 1
664 . 1 . 1 150 150 PHE HA H 1 4.74 0.00 . . . . . . . 150 PHE HA . 51938 1
665 . 1 . 1 150 150 PHE CA C 13 57.99 0.00 . . . . . . . 150 PHE CA . 51938 1
666 . 1 . 1 150 150 PHE CB C 13 38.65 0.02 . . . . . . . 150 PHE CB . 51938 1
667 . 1 . 1 150 150 PHE N N 15 123.13 0.03 . . . . . . . 150 PHE N . 51938 1
668 . 1 . 1 151 151 VAL H H 1 7.99 0.01 . . . . . . . 151 VAL H . 51938 1
669 . 1 . 1 151 151 VAL HA H 1 4.21 0.01 . . . . . . . 151 VAL HA . 51938 1
670 . 1 . 1 151 151 VAL CA C 13 60.85 0.00 . . . . . . . 151 VAL CA . 51938 1
671 . 1 . 1 151 151 VAL CB C 13 33.17 0.01 . . . . . . . 151 VAL CB . 51938 1
672 . 1 . 1 151 151 VAL N N 15 122.46 0.48 . . . . . . . 151 VAL N . 51938 1
673 . 1 . 1 152 152 SER H H 1 8.47 0.00 . . . . . . . 152 SER H . 51938 1
674 . 1 . 1 152 152 SER CA C 13 58.20 0.04 . . . . . . . 152 SER CA . 51938 1
675 . 1 . 1 152 152 SER CB C 13 63.58 0.01 . . . . . . . 152 SER CB . 51938 1
676 . 1 . 1 152 152 SER N N 15 119.87 0.03 . . . . . . . 152 SER N . 51938 1
677 . 1 . 1 153 153 SER H H 1 8.00 0.00 . . . . . . . 153 SER H . 51938 1
678 . 1 . 1 153 153 SER CA C 13 59.60 0.00 . . . . . . . 153 SER CA . 51938 1
679 . 1 . 1 153 153 SER CB C 13 64.37 0.04 . . . . . . . 153 SER CB . 51938 1
680 . 1 . 1 153 153 SER N N 15 122.91 0.00 . . . . . . . 153 SER N . 51938 1
stop_
save_