###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 18007
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_new_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details 'Origin xeasy file /home/kostas/structures/PDBeSMNaDMA/SMNaDMA.prot'
_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-EDITED 3D NOESY F1 15N/13C FILTERED' . . . 18007 1
2 '15N-EDITED 3D NOESY' . . . 18007 1
3 '13C-EDITED 3D NOESY (ALIPHATICSS) F1 15N/13C FILTERED' . . . 18007 1
4 '13C-EDITED 3D NOESY (ALIPHATICS)' . . . 18007 1
5 '13C-EDITED 3D NOESY (AROMATICS) F1 15N/13C FILTERED' . . . 18007 1
6 '13C-EDITED 3D NOESY (AROMATICS)' . . . 18007 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 ASN CA C 13 53.256 0.200 . 1 . 1 . . 84 ASN CA . 18007 1
2 . 1 1 1 1 ASN HA H 1 4.744 0.020 . 1 . 2 . . 84 ASN HA . 18007 1
3 . 1 1 1 1 ASN CB C 13 38.838 0.058 . 1 . 3 . . 84 ASN CB . 18007 1
4 . 1 1 1 1 ASN HB2 H 1 2.766 0.020 . 2 . 4 . . 84 ASN HB2 . 18007 1
5 . 1 1 1 1 ASN HB3 H 1 2.843 0.020 . 2 . 5 . . 84 ASN HB3 . 18007 1
6 . 1 1 1 1 ASN ND2 N 15 112.728 0.092 . 1 . 6 . . 84 ASN ND2 . 18007 1
7 . 1 1 1 1 ASN HD21 H 1 7.596 0.005 . 1 . 7 . . 84 ASN HD21 . 18007 1
8 . 1 1 1 1 ASN HD22 H 1 6.905 0.011 . 1 . 8 . . 84 ASN HD22 . 18007 1
9 . 1 1 2 2 THR N N 15 114.640 0.200 . 1 . 9 . . 85 THR N . 18007 1
10 . 1 1 2 2 THR H H 1 8.142 0.020 . 1 . 10 . . 85 THR H . 18007 1
11 . 1 1 2 2 THR CA C 13 61.971 0.015 . 1 . 11 . . 85 THR CA . 18007 1
12 . 1 1 2 2 THR HA H 1 4.280 0.001 . 1 . 12 . . 85 THR HA . 18007 1
13 . 1 1 2 2 THR CB C 13 69.807 0.076 . 1 . 13 . . 85 THR CB . 18007 1
14 . 1 1 2 2 THR HB H 1 4.265 0.020 . 1 . 14 . . 85 THR HB . 18007 1
15 . 1 1 2 2 THR HG21 H 1 1.185 0.003 . 1 . 15 . . 85 THR HG21 . 18007 1
16 . 1 1 2 2 THR HG22 H 1 1.185 0.003 . 1 . 15 . . 85 THR HG22 . 18007 1
17 . 1 1 2 2 THR HG23 H 1 1.185 0.003 . 1 . 15 . . 85 THR HG23 . 18007 1
18 . 1 1 2 2 THR CG2 C 13 21.743 0.200 . 1 . 16 . . 85 THR CG2 . 18007 1
19 . 1 1 3 3 ALA N N 15 126.094 0.050 . 1 . 17 . . 86 ALA N . 18007 1
20 . 1 1 3 3 ALA H H 1 8.311 0.024 . 1 . 18 . . 86 ALA H . 18007 1
21 . 1 1 3 3 ALA HB1 H 1 1.359 0.020 . 1 . 19 . . 86 ALA HB1 . 18007 1
22 . 1 1 3 3 ALA HB2 H 1 1.359 0.020 . 1 . 19 . . 86 ALA HB2 . 18007 1
23 . 1 1 3 3 ALA HB3 H 1 1.359 0.020 . 1 . 19 . . 86 ALA HB3 . 18007 1
24 . 1 1 3 3 ALA CB C 13 19.256 0.200 . 1 . 20 . . 86 ALA CB . 18007 1
25 . 1 1 4 4 ALA N N 15 122.835 0.057 . 1 . 21 . . 87 ALA N . 18007 1
26 . 1 1 4 4 ALA H H 1 8.175 0.001 . 1 . 22 . . 87 ALA H . 18007 1
27 . 1 1 4 4 ALA CA C 13 52.895 0.007 . 1 . 23 . . 87 ALA CA . 18007 1
28 . 1 1 4 4 ALA HA H 1 4.267 0.020 . 1 . 24 . . 87 ALA HA . 18007 1
29 . 1 1 4 4 ALA HB1 H 1 1.377 0.001 . 1 . 25 . . 87 ALA HB1 . 18007 1
30 . 1 1 4 4 ALA HB2 H 1 1.377 0.001 . 1 . 25 . . 87 ALA HB2 . 18007 1
31 . 1 1 4 4 ALA HB3 H 1 1.377 0.001 . 1 . 25 . . 87 ALA HB3 . 18007 1
32 . 1 1 4 4 ALA CB C 13 19.198 0.055 . 1 . 26 . . 87 ALA CB . 18007 1
33 . 1 1 5 5 SER N N 15 114.452 0.011 . 1 . 27 . . 88 SER N . 18007 1
34 . 1 1 5 5 SER H H 1 8.149 0.010 . 1 . 28 . . 88 SER H . 18007 1
35 . 1 1 5 5 SER CA C 13 58.628 0.054 . 1 . 29 . . 88 SER CA . 18007 1
36 . 1 1 5 5 SER HA H 1 4.365 0.020 . 1 . 30 . . 88 SER HA . 18007 1
37 . 1 1 5 5 SER CB C 13 63.742 0.051 . 1 . 31 . . 88 SER CB . 18007 1
38 . 1 1 5 5 SER HB2 H 1 3.844 0.020 . 1 . 32 . . 88 SER HB2 . 18007 1
39 . 1 1 5 5 SER HB3 H 1 3.844 0.020 . 1 . 616 . . 88 SER HB3 . 18007 1
40 . 1 1 6 6 LEU N N 15 123.595 0.014 . 1 . 33 . . 89 LEU N . 18007 1
41 . 1 1 6 6 LEU H H 1 8.151 0.020 . 1 . 34 . . 89 LEU H . 18007 1
42 . 1 1 6 6 LEU CA C 13 55.701 0.064 . 1 . 35 . . 89 LEU CA . 18007 1
43 . 1 1 6 6 LEU HA H 1 4.282 0.016 . 1 . 36 . . 89 LEU HA . 18007 1
44 . 1 1 6 6 LEU CB C 13 42.305 0.024 . 1 . 37 . . 89 LEU CB . 18007 1
45 . 1 1 6 6 LEU HB2 H 1 1.551 0.020 . 2 . 38 . . 89 LEU HB2 . 18007 1
46 . 1 1 6 6 LEU HB3 H 1 1.630 0.020 . 2 . 39 . . 89 LEU HB3 . 18007 1
47 . 1 1 6 6 LEU CG C 13 26.991 0.011 . 1 . 40 . . 89 LEU CG . 18007 1
48 . 1 1 6 6 LEU HG H 1 1.636 0.020 . 1 . 41 . . 89 LEU HG . 18007 1
49 . 1 1 6 6 LEU HD11 H 1 0.898 0.005 . 2 . 42 . . 89 LEU HD11 . 18007 1
50 . 1 1 6 6 LEU HD12 H 1 0.898 0.005 . 2 . 42 . . 89 LEU HD12 . 18007 1
51 . 1 1 6 6 LEU HD13 H 1 0.898 0.005 . 2 . 42 . . 89 LEU HD13 . 18007 1
52 . 1 1 6 6 LEU HD21 H 1 0.856 0.005 . 2 . 43 . . 89 LEU HD21 . 18007 1
53 . 1 1 6 6 LEU HD22 H 1 0.856 0.005 . 2 . 43 . . 89 LEU HD22 . 18007 1
54 . 1 1 6 6 LEU HD23 H 1 0.856 0.005 . 2 . 43 . . 89 LEU HD23 . 18007 1
55 . 1 1 6 6 LEU CD1 C 13 24.968 0.200 . 2 . 44 . . 89 LEU CD1 . 18007 1
56 . 1 1 6 6 LEU CD2 C 13 23.616 0.029 . 2 . 45 . . 89 LEU CD2 . 18007 1
57 . 1 1 7 7 GLN N N 15 119.296 0.007 . 1 . 46 . . 90 GLN N . 18007 1
58 . 1 1 7 7 GLN H H 1 7.971 0.003 . 1 . 47 . . 90 GLN H . 18007 1
59 . 1 1 7 7 GLN CA C 13 55.560 0.047 . 1 . 48 . . 90 GLN CA . 18007 1
60 . 1 1 7 7 GLN HA H 1 4.120 0.001 . 1 . 49 . . 90 GLN HA . 18007 1
61 . 1 1 7 7 GLN CB C 13 29.048 0.018 . 1 . 50 . . 90 GLN CB . 18007 1
62 . 1 1 7 7 GLN HB2 H 1 1.692 0.004 . 1 . 51 . . 90 GLN HB2 . 18007 1
63 . 1 1 7 7 GLN CG C 13 33.372 0.122 . 1 . 52 . . 90 GLN CG . 18007 1
64 . 1 1 7 7 GLN HG2 H 1 1.950 0.011 . 1 . 53 . . 90 GLN HG2 . 18007 1
65 . 1 1 7 7 GLN NE2 N 15 111.780 0.031 . 1 . 54 . . 90 GLN NE2 . 18007 1
66 . 1 1 7 7 GLN HE21 H 1 7.114 0.020 . 1 . 55 . . 90 GLN HE21 . 18007 1
67 . 1 1 7 7 GLN HE22 H 1 6.620 0.001 . 1 . 56 . . 90 GLN HE22 . 18007 1
68 . 1 1 7 7 GLN HB3 H 1 1.692 0.004 . 1 . 617 . . 90 GLN HB3 . 18007 1
69 . 1 1 7 7 GLN HG3 H 1 1.950 0.011 . 1 . 618 . . 90 GLN HG3 . 18007 1
70 . 1 1 8 8 GLN N N 15 121.566 0.011 . 1 . 57 . . 91 GLN N . 18007 1
71 . 1 1 8 8 GLN H H 1 8.102 0.010 . 1 . 58 . . 91 GLN H . 18007 1
72 . 1 1 8 8 GLN CA C 13 55.483 0.059 . 1 . 59 . . 91 GLN CA . 18007 1
73 . 1 1 8 8 GLN HA H 1 4.230 0.001 . 1 . 60 . . 91 GLN HA . 18007 1
74 . 1 1 8 8 GLN CB C 13 29.137 0.026 . 1 . 61 . . 91 GLN CB . 18007 1
75 . 1 1 8 8 GLN HB2 H 1 1.791 0.020 . 2 . 62 . . 91 GLN HB2 . 18007 1
76 . 1 1 8 8 GLN HB3 H 1 1.875 0.020 . 2 . 63 . . 91 GLN HB3 . 18007 1
77 . 1 1 8 8 GLN CG C 13 33.529 0.087 . 1 . 64 . . 91 GLN CG . 18007 1
78 . 1 1 8 8 GLN HG2 H 1 2.075 0.006 . 1 . 65 . . 91 GLN HG2 . 18007 1
79 . 1 1 8 8 GLN NE2 N 15 112.225 0.036 . 1 . 66 . . 91 GLN NE2 . 18007 1
80 . 1 1 8 8 GLN HE21 H 1 7.287 0.001 . 1 . 67 . . 91 GLN HE21 . 18007 1
81 . 1 1 8 8 GLN HE22 H 1 6.731 0.020 . 1 . 68 . . 91 GLN HE22 . 18007 1
82 . 1 1 8 8 GLN HG3 H 1 2.075 0.006 . 1 . 619 . . 91 GLN HG3 . 18007 1
83 . 1 1 9 9 TRP N N 15 122.534 0.019 . 1 . 69 . . 92 TRP N . 18007 1
84 . 1 1 9 9 TRP H H 1 7.727 0.008 . 1 . 70 . . 92 TRP H . 18007 1
85 . 1 1 9 9 TRP CA C 13 56.961 0.200 . 1 . 71 . . 92 TRP CA . 18007 1
86 . 1 1 9 9 TRP HA H 1 4.787 0.001 . 1 . 72 . . 92 TRP HA . 18007 1
87 . 1 1 9 9 TRP CB C 13 32.272 0.095 . 1 . 73 . . 92 TRP CB . 18007 1
88 . 1 1 9 9 TRP HB2 H 1 2.809 0.020 . 2 . 74 . . 92 TRP HB2 . 18007 1
89 . 1 1 9 9 TRP HB3 H 1 3.021 0.005 . 2 . 75 . . 92 TRP HB3 . 18007 1
90 . 1 1 9 9 TRP CD1 C 13 127.588 0.006 . 1 . 76 . . 92 TRP CD1 . 18007 1
91 . 1 1 9 9 TRP CE3 C 13 121.783 0.200 . 1 . 77 . . 92 TRP CE3 . 18007 1
92 . 1 1 9 9 TRP NE1 N 15 128.350 0.024 . 1 . 78 . . 92 TRP NE1 . 18007 1
93 . 1 1 9 9 TRP HD1 H 1 7.207 0.019 . 1 . 79 . . 92 TRP HD1 . 18007 1
94 . 1 1 9 9 TRP HE3 H 1 7.922 0.020 . 1 . 80 . . 92 TRP HE3 . 18007 1
95 . 1 1 9 9 TRP CZ3 C 13 121.305 0.112 . 1 . 81 . . 92 TRP CZ3 . 18007 1
96 . 1 1 9 9 TRP CZ2 C 13 114.525 0.200 . 1 . 82 . . 92 TRP CZ2 . 18007 1
97 . 1 1 9 9 TRP HE1 H 1 10.083 0.015 . 1 . 83 . . 92 TRP HE1 . 18007 1
98 . 1 1 9 9 TRP HZ3 H 1 7.270 0.007 . 1 . 84 . . 92 TRP HZ3 . 18007 1
99 . 1 1 9 9 TRP CH2 C 13 124.346 0.201 . 1 . 85 . . 92 TRP CH2 . 18007 1
100 . 1 1 9 9 TRP HZ2 H 1 7.038 0.020 . 1 . 86 . . 92 TRP HZ2 . 18007 1
101 . 1 1 9 9 TRP HH2 H 1 7.046 0.010 . 1 . 87 . . 92 TRP HH2 . 18007 1
102 . 1 1 10 10 LYS N N 15 120.137 0.009 . 1 . 88 . . 93 LYS N . 18007 1
103 . 1 1 10 10 LYS H H 1 8.932 0.008 . 1 . 89 . . 93 LYS H . 18007 1
104 . 1 1 10 10 LYS CA C 13 54.418 0.105 . 1 . 90 . . 93 LYS CA . 18007 1
105 . 1 1 10 10 LYS HA H 1 4.679 0.003 . 1 . 91 . . 93 LYS HA . 18007 1
106 . 1 1 10 10 LYS CB C 13 35.731 0.070 . 1 . 92 . . 93 LYS CB . 18007 1
107 . 1 1 10 10 LYS HB2 H 1 1.750 0.020 . 2 . 93 . . 93 LYS HB2 . 18007 1
108 . 1 1 10 10 LYS HB3 H 1 1.815 0.014 . 2 . 94 . . 93 LYS HB3 . 18007 1
109 . 1 1 10 10 LYS CG C 13 23.572 0.069 . 1 . 95 . . 93 LYS CG . 18007 1
110 . 1 1 10 10 LYS HG2 H 1 1.354 0.011 . 2 . 96 . . 93 LYS HG2 . 18007 1
111 . 1 1 10 10 LYS HG3 H 1 1.603 0.010 . 2 . 97 . . 93 LYS HG3 . 18007 1
112 . 1 1 10 10 LYS CD C 13 28.983 0.030 . 1 . 98 . . 93 LYS CD . 18007 1
113 . 1 1 10 10 LYS HD2 H 1 1.709 0.013 . 1 . 99 . . 93 LYS HD2 . 18007 1
114 . 1 1 10 10 LYS CE C 13 41.817 0.072 . 1 . 100 . . 93 LYS CE . 18007 1
115 . 1 1 10 10 LYS HE2 H 1 3.058 0.015 . 1 . 101 . . 93 LYS HE2 . 18007 1
116 . 1 1 10 10 LYS HD3 H 1 1.709 0.013 . 1 . 620 . . 93 LYS HD3 . 18007 1
117 . 1 1 10 10 LYS HE3 H 1 3.058 0.015 . 1 . 621 . . 93 LYS HE3 . 18007 1
118 . 1 1 11 11 VAL N N 15 120.733 0.006 . 1 . 102 . . 94 VAL N . 18007 1
119 . 1 1 11 11 VAL H H 1 8.472 0.002 . 1 . 103 . . 94 VAL H . 18007 1
120 . 1 1 11 11 VAL CA C 13 66.177 0.075 . 1 . 104 . . 94 VAL CA . 18007 1
121 . 1 1 11 11 VAL HA H 1 3.157 0.006 . 1 . 105 . . 94 VAL HA . 18007 1
122 . 1 1 11 11 VAL CB C 13 31.303 0.050 . 1 . 106 . . 94 VAL CB . 18007 1
123 . 1 1 11 11 VAL HB H 1 1.892 0.010 . 1 . 107 . . 94 VAL HB . 18007 1
124 . 1 1 11 11 VAL HG11 H 1 0.869 0.001 . 2 . 108 . . 94 VAL HG11 . 18007 1
125 . 1 1 11 11 VAL HG12 H 1 0.869 0.001 . 2 . 108 . . 94 VAL HG12 . 18007 1
126 . 1 1 11 11 VAL HG13 H 1 0.869 0.001 . 2 . 108 . . 94 VAL HG13 . 18007 1
127 . 1 1 11 11 VAL HG21 H 1 0.970 0.001 . 2 . 109 . . 94 VAL HG21 . 18007 1
128 . 1 1 11 11 VAL HG22 H 1 0.970 0.001 . 2 . 109 . . 94 VAL HG22 . 18007 1
129 . 1 1 11 11 VAL HG23 H 1 0.970 0.001 . 2 . 109 . . 94 VAL HG23 . 18007 1
130 . 1 1 11 11 VAL CG1 C 13 21.496 0.015 . 2 . 110 . . 94 VAL CG1 . 18007 1
131 . 1 1 11 11 VAL CG2 C 13 23.556 0.021 . 2 . 111 . . 94 VAL CG2 . 18007 1
132 . 1 1 12 12 GLY N N 15 116.611 0.001 . 1 . 112 . . 95 GLY N . 18007 1
133 . 1 1 12 12 GLY H H 1 8.963 0.004 . 1 . 113 . . 95 GLY H . 18007 1
134 . 1 1 12 12 GLY CA C 13 44.501 0.024 . 1 . 114 . . 95 GLY CA . 18007 1
135 . 1 1 12 12 GLY HA2 H 1 3.559 0.004 . 2 . 115 . . 95 GLY HA2 . 18007 1
136 . 1 1 12 12 GLY HA3 H 1 4.447 0.021 . 2 . 116 . . 95 GLY HA3 . 18007 1
137 . 1 1 13 13 ASP N N 15 121.084 0.160 . 1 . 117 . . 96 ASP N . 18007 1
138 . 1 1 13 13 ASP H H 1 8.073 0.005 . 1 . 118 . . 96 ASP H . 18007 1
139 . 1 1 13 13 ASP CA C 13 55.636 0.095 . 1 . 119 . . 96 ASP CA . 18007 1
140 . 1 1 13 13 ASP HA H 1 4.658 0.002 . 1 . 120 . . 96 ASP HA . 18007 1
141 . 1 1 13 13 ASP CB C 13 41.636 0.086 . 1 . 121 . . 96 ASP CB . 18007 1
142 . 1 1 13 13 ASP HB2 H 1 2.937 0.005 . 2 . 122 . . 96 ASP HB2 . 18007 1
143 . 1 1 13 13 ASP HB3 H 1 3.230 0.020 . 2 . 123 . . 96 ASP HB3 . 18007 1
144 . 1 1 14 14 LYS N N 15 119.172 0.028 . 1 . 124 . . 97 LYS N . 18007 1
145 . 1 1 14 14 LYS H H 1 8.364 0.012 . 1 . 125 . . 97 LYS H . 18007 1
146 . 1 1 14 14 LYS CA C 13 55.968 0.200 . 1 . 126 . . 97 LYS CA . 18007 1
147 . 1 1 14 14 LYS HA H 1 4.862 0.006 . 1 . 127 . . 97 LYS HA . 18007 1
148 . 1 1 14 14 LYS CB C 13 33.212 0.027 . 1 . 128 . . 97 LYS CB . 18007 1
149 . 1 1 14 14 LYS HB2 H 1 1.796 0.001 . 2 . 129 . . 97 LYS HB2 . 18007 1
150 . 1 1 14 14 LYS HB3 H 1 2.143 0.020 . 2 . 130 . . 97 LYS HB3 . 18007 1
151 . 1 1 14 14 LYS CG C 13 25.592 0.105 . 1 . 131 . . 97 LYS CG . 18007 1
152 . 1 1 14 14 LYS HG2 H 1 1.540 0.020 . 2 . 132 . . 97 LYS HG2 . 18007 1
153 . 1 1 14 14 LYS HG3 H 1 1.737 0.020 . 2 . 133 . . 97 LYS HG3 . 18007 1
154 . 1 1 14 14 LYS CD C 13 29.249 0.038 . 1 . 134 . . 97 LYS CD . 18007 1
155 . 1 1 14 14 LYS HD2 H 1 1.743 0.020 . 1 . 135 . . 97 LYS HD2 . 18007 1
156 . 1 1 14 14 LYS CE C 13 42.166 0.025 . 1 . 136 . . 97 LYS CE . 18007 1
157 . 1 1 14 14 LYS HE2 H 1 3.025 0.006 . 1 . 137 . . 97 LYS HE2 . 18007 1
158 . 1 1 14 14 LYS HD3 H 1 1.743 0.020 . 1 . 622 . . 97 LYS HD3 . 18007 1
159 . 1 1 14 14 LYS HE3 H 1 3.025 0.006 . 1 . 623 . . 97 LYS HE3 . 18007 1
160 . 1 1 15 15 CYS N N 15 115.542 0.014 . 1 . 138 . . 98 CYS N . 18007 1
161 . 1 1 15 15 CYS H H 1 8.918 0.008 . 1 . 139 . . 98 CYS H . 18007 1
162 . 1 1 15 15 CYS CA C 13 55.820 0.046 . 1 . 140 . . 98 CYS CA . 18007 1
163 . 1 1 15 15 CYS HA H 1 5.018 0.020 . 1 . 141 . . 98 CYS HA . 18007 1
164 . 1 1 15 15 CYS CB C 13 32.308 0.023 . 1 . 142 . . 98 CYS CB . 18007 1
165 . 1 1 15 15 CYS HB2 H 1 2.774 0.020 . 1 . 143 . . 98 CYS HB2 . 18007 1
166 . 1 1 15 15 CYS HG H 1 0.657 0.015 . 1 . 144 . . 98 CYS HG . 18007 1
167 . 1 1 15 15 CYS HB3 H 1 2.774 0.020 . 1 . 624 . . 98 CYS HB3 . 18007 1
168 . 1 1 16 16 SER N N 15 116.284 0.035 . 1 . 145 . . 99 SER N . 18007 1
169 . 1 1 16 16 SER H H 1 8.544 0.003 . 1 . 146 . . 99 SER H . 18007 1
170 . 1 1 16 16 SER CA C 13 58.757 0.012 . 1 . 147 . . 99 SER CA . 18007 1
171 . 1 1 16 16 SER HA H 1 5.147 0.003 . 1 . 148 . . 99 SER HA . 18007 1
172 . 1 1 16 16 SER CB C 13 65.029 0.016 . 1 . 149 . . 99 SER CB . 18007 1
173 . 1 1 16 16 SER HB2 H 1 3.510 0.003 . 2 . 150 . . 99 SER HB2 . 18007 1
174 . 1 1 16 16 SER HB3 H 1 3.638 0.020 . 2 . 151 . . 99 SER HB3 . 18007 1
175 . 1 1 17 17 ALA N N 15 124.528 0.064 . 1 . 152 . . 100 ALA N . 18007 1
176 . 1 1 17 17 ALA H H 1 9.006 0.001 . 1 . 153 . . 100 ALA H . 18007 1
177 . 1 1 17 17 ALA CA C 13 50.441 0.118 . 1 . 154 . . 100 ALA CA . 18007 1
178 . 1 1 17 17 ALA HA H 1 4.885 0.020 . 1 . 155 . . 100 ALA HA . 18007 1
179 . 1 1 17 17 ALA HB1 H 1 1.116 0.020 . 1 . 156 . . 100 ALA HB1 . 18007 1
180 . 1 1 17 17 ALA HB2 H 1 1.116 0.020 . 1 . 156 . . 100 ALA HB2 . 18007 1
181 . 1 1 17 17 ALA HB3 H 1 1.116 0.020 . 1 . 156 . . 100 ALA HB3 . 18007 1
182 . 1 1 17 17 ALA CB C 13 22.190 0.004 . 1 . 157 . . 100 ALA CB . 18007 1
183 . 1 1 18 18 ILE N N 15 121.585 0.030 . 1 . 158 . . 101 ILE N . 18007 1
184 . 1 1 18 18 ILE H H 1 8.976 0.013 . 1 . 159 . . 101 ILE H . 18007 1
185 . 1 1 18 18 ILE CA C 13 60.575 0.141 . 1 . 160 . . 101 ILE CA . 18007 1
186 . 1 1 18 18 ILE HA H 1 4.379 0.007 . 1 . 161 . . 101 ILE HA . 18007 1
187 . 1 1 18 18 ILE CB C 13 38.287 0.109 . 1 . 162 . . 101 ILE CB . 18007 1
188 . 1 1 18 18 ILE HB H 1 1.790 0.003 . 1 . 163 . . 101 ILE HB . 18007 1
189 . 1 1 18 18 ILE HG21 H 1 0.619 0.011 . 1 . 164 . . 101 ILE HG21 . 18007 1
190 . 1 1 18 18 ILE HG22 H 1 0.619 0.011 . 1 . 164 . . 101 ILE HG22 . 18007 1
191 . 1 1 18 18 ILE HG23 H 1 0.619 0.011 . 1 . 164 . . 101 ILE HG23 . 18007 1
192 . 1 1 18 18 ILE CG2 C 13 17.354 0.060 . 1 . 165 . . 101 ILE CG2 . 18007 1
193 . 1 1 18 18 ILE CG1 C 13 28.933 0.050 . 1 . 166 . . 101 ILE CG1 . 18007 1
194 . 1 1 18 18 ILE HG12 H 1 0.859 0.009 . 2 . 167 . . 101 ILE HG12 . 18007 1
195 . 1 1 18 18 ILE HG13 H 1 1.517 0.026 . 2 . 168 . . 101 ILE HG13 . 18007 1
196 . 1 1 18 18 ILE HD11 H 1 0.843 0.001 . 1 . 169 . . 101 ILE HD11 . 18007 1
197 . 1 1 18 18 ILE HD12 H 1 0.843 0.001 . 1 . 169 . . 101 ILE HD12 . 18007 1
198 . 1 1 18 18 ILE HD13 H 1 0.843 0.001 . 1 . 169 . . 101 ILE HD13 . 18007 1
199 . 1 1 18 18 ILE CD1 C 13 13.715 0.087 . 1 . 170 . . 101 ILE CD1 . 18007 1
200 . 1 1 19 19 TRP N N 15 132.430 0.054 . 1 . 171 . . 102 TRP N . 18007 1
201 . 1 1 19 19 TRP H H 1 9.111 0.006 . 1 . 172 . . 102 TRP H . 18007 1
202 . 1 1 19 19 TRP CA C 13 54.940 0.091 . 1 . 173 . . 102 TRP CA . 18007 1
203 . 1 1 19 19 TRP HA H 1 5.351 0.004 . 1 . 174 . . 102 TRP HA . 18007 1
204 . 1 1 19 19 TRP CB C 13 29.721 0.029 . 1 . 175 . . 102 TRP CB . 18007 1
205 . 1 1 19 19 TRP HB2 H 1 2.572 0.001 . 2 . 176 . . 102 TRP HB2 . 18007 1
206 . 1 1 19 19 TRP HB3 H 1 3.833 0.006 . 2 . 177 . . 102 TRP HB3 . 18007 1
207 . 1 1 19 19 TRP CD1 C 13 126.441 0.160 . 1 . 178 . . 102 TRP CD1 . 18007 1
208 . 1 1 19 19 TRP CE3 C 13 121.759 0.139 . 1 . 179 . . 102 TRP CE3 . 18007 1
209 . 1 1 19 19 TRP NE1 N 15 128.197 0.062 . 1 . 180 . . 102 TRP NE1 . 18007 1
210 . 1 1 19 19 TRP HD1 H 1 7.529 0.020 . 1 . 181 . . 102 TRP HD1 . 18007 1
211 . 1 1 19 19 TRP HE3 H 1 7.604 0.006 . 1 . 182 . . 102 TRP HE3 . 18007 1
212 . 1 1 19 19 TRP CZ3 C 13 121.736 0.192 . 1 . 183 . . 102 TRP CZ3 . 18007 1
213 . 1 1 19 19 TRP CZ2 C 13 114.316 0.109 . 1 . 184 . . 102 TRP CZ2 . 18007 1
214 . 1 1 19 19 TRP HE1 H 1 9.998 0.020 . 1 . 185 . . 102 TRP HE1 . 18007 1
215 . 1 1 19 19 TRP HZ3 H 1 6.690 0.009 . 1 . 186 . . 102 TRP HZ3 . 18007 1
216 . 1 1 19 19 TRP CH2 C 13 124.998 0.154 . 1 . 187 . . 102 TRP CH2 . 18007 1
217 . 1 1 19 19 TRP HZ2 H 1 7.044 0.004 . 1 . 188 . . 102 TRP HZ2 . 18007 1
218 . 1 1 19 19 TRP HH2 H 1 6.804 0.011 . 1 . 189 . . 102 TRP HH2 . 18007 1
219 . 1 1 20 20 SER N N 15 126.603 0.038 . 1 . 190 . . 103 SER N . 18007 1
220 . 1 1 20 20 SER H H 1 9.219 0.003 . 1 . 191 . . 103 SER H . 18007 1
221 . 1 1 20 20 SER CA C 13 61.547 0.195 . 1 . 192 . . 103 SER CA . 18007 1
222 . 1 1 20 20 SER HA H 1 3.851 0.020 . 1 . 193 . . 103 SER HA . 18007 1
223 . 1 1 20 20 SER CB C 13 62.120 0.025 . 1 . 194 . . 103 SER CB . 18007 1
224 . 1 1 20 20 SER HB2 H 1 3.647 0.001 . 2 . 195 . . 103 SER HB2 . 18007 1
225 . 1 1 20 20 SER HB3 H 1 3.945 0.020 . 2 . 196 . . 103 SER HB3 . 18007 1
226 . 1 1 21 21 GLU N N 15 116.743 0.014 . 1 . 197 . . 104 GLU N . 18007 1
227 . 1 1 21 21 GLU H H 1 5.025 0.004 . 1 . 198 . . 104 GLU H . 18007 1
228 . 1 1 21 21 GLU CA C 13 58.240 0.005 . 1 . 199 . . 104 GLU CA . 18007 1
229 . 1 1 21 21 GLU HA H 1 3.553 0.003 . 1 . 200 . . 104 GLU HA . 18007 1
230 . 1 1 21 21 GLU CB C 13 27.891 0.057 . 1 . 201 . . 104 GLU CB . 18007 1
231 . 1 1 21 21 GLU HB2 H 1 -0.223 0.005 . 2 . 202 . . 104 GLU HB2 . 18007 1
232 . 1 1 21 21 GLU HB3 H 1 0.403 0.009 . 2 . 203 . . 104 GLU HB3 . 18007 1
233 . 1 1 21 21 GLU CG C 13 36.159 0.049 . 1 . 204 . . 104 GLU CG . 18007 1
234 . 1 1 21 21 GLU HG2 H 1 1.519 0.016 . 1 . 205 . . 104 GLU HG2 . 18007 1
235 . 1 1 21 21 GLU HG3 H 1 1.519 0.016 . 1 . 625 . . 104 GLU HG3 . 18007 1
236 . 1 1 22 22 ASP N N 15 112.833 0.005 . 1 . 206 . . 105 ASP N . 18007 1
237 . 1 1 22 22 ASP H H 1 6.536 0.012 . 1 . 207 . . 105 ASP H . 18007 1
238 . 1 1 22 22 ASP CA C 13 52.684 0.094 . 1 . 208 . . 105 ASP CA . 18007 1
239 . 1 1 22 22 ASP HA H 1 4.692 0.008 . 1 . 209 . . 105 ASP HA . 18007 1
240 . 1 1 22 22 ASP CB C 13 42.396 0.120 . 1 . 210 . . 105 ASP CB . 18007 1
241 . 1 1 22 22 ASP HB2 H 1 2.329 0.010 . 2 . 211 . . 105 ASP HB2 . 18007 1
242 . 1 1 22 22 ASP HB3 H 1 3.106 0.007 . 2 . 212 . . 105 ASP HB3 . 18007 1
243 . 1 1 23 23 GLY N N 15 110.323 0.003 . 1 . 213 . . 106 GLY N . 18007 1
244 . 1 1 23 23 GLY H H 1 8.708 0.020 . 1 . 214 . . 106 GLY H . 18007 1
245 . 1 1 23 23 GLY CA C 13 46.617 0.030 . 1 . 215 . . 106 GLY CA . 18007 1
246 . 1 1 23 23 GLY HA2 H 1 3.596 0.020 . 2 . 216 . . 106 GLY HA2 . 18007 1
247 . 1 1 23 23 GLY HA3 H 1 3.986 0.020 . 2 . 217 . . 106 GLY HA3 . 18007 1
248 . 1 1 24 24 CYS N N 15 120.364 0.022 . 1 . 218 . . 107 CYS N . 18007 1
249 . 1 1 24 24 CYS H H 1 8.816 0.005 . 1 . 219 . . 107 CYS H . 18007 1
250 . 1 1 24 24 CYS CA C 13 58.823 0.131 . 1 . 220 . . 107 CYS CA . 18007 1
251 . 1 1 24 24 CYS HA H 1 4.579 0.020 . 1 . 221 . . 107 CYS HA . 18007 1
252 . 1 1 24 24 CYS CB C 13 28.731 0.025 . 1 . 222 . . 107 CYS CB . 18007 1
253 . 1 1 24 24 CYS HB2 H 1 2.610 0.004 . 2 . 223 . . 107 CYS HB2 . 18007 1
254 . 1 1 24 24 CYS HB3 H 1 3.244 0.020 . 2 . 224 . . 107 CYS HB3 . 18007 1
255 . 1 1 25 25 ILE N N 15 120.310 0.005 . 1 . 225 . . 108 ILE N . 18007 1
256 . 1 1 25 25 ILE H H 1 7.872 0.010 . 1 . 226 . . 108 ILE H . 18007 1
257 . 1 1 25 25 ILE CA C 13 61.417 0.228 . 1 . 227 . . 108 ILE CA . 18007 1
258 . 1 1 25 25 ILE HA H 1 4.388 0.003 . 1 . 228 . . 108 ILE HA . 18007 1
259 . 1 1 25 25 ILE CB C 13 39.352 0.062 . 1 . 229 . . 108 ILE CB . 18007 1
260 . 1 1 25 25 ILE HB H 1 1.441 0.011 . 1 . 230 . . 108 ILE HB . 18007 1
261 . 1 1 25 25 ILE HG21 H 1 0.736 0.005 . 1 . 231 . . 108 ILE HG21 . 18007 1
262 . 1 1 25 25 ILE HG22 H 1 0.736 0.005 . 1 . 231 . . 108 ILE HG22 . 18007 1
263 . 1 1 25 25 ILE HG23 H 1 0.736 0.005 . 1 . 231 . . 108 ILE HG23 . 18007 1
264 . 1 1 25 25 ILE CG2 C 13 19.206 0.032 . 1 . 232 . . 108 ILE CG2 . 18007 1
265 . 1 1 25 25 ILE CG1 C 13 29.127 0.090 . 1 . 233 . . 108 ILE CG1 . 18007 1
266 . 1 1 25 25 ILE HG12 H 1 0.757 0.021 . 2 . 234 . . 108 ILE HG12 . 18007 1
267 . 1 1 25 25 ILE HG13 H 1 1.546 0.012 . 2 . 235 . . 108 ILE HG13 . 18007 1
268 . 1 1 25 25 ILE HD11 H 1 0.794 0.003 . 1 . 236 . . 108 ILE HD11 . 18007 1
269 . 1 1 25 25 ILE HD12 H 1 0.794 0.003 . 1 . 236 . . 108 ILE HD12 . 18007 1
270 . 1 1 25 25 ILE HD13 H 1 0.794 0.003 . 1 . 236 . . 108 ILE HD13 . 18007 1
271 . 1 1 25 25 ILE CD1 C 13 14.015 0.056 . 1 . 237 . . 108 ILE CD1 . 18007 1
272 . 1 1 26 26 TYR N N 15 125.409 0.006 . 1 . 238 . . 109 TYR N . 18007 1
273 . 1 1 26 26 TYR H H 1 9.257 0.001 . 1 . 239 . . 109 TYR H . 18007 1
274 . 1 1 26 26 TYR CA C 13 56.239 0.100 . 1 . 240 . . 109 TYR CA . 18007 1
275 . 1 1 26 26 TYR HA H 1 5.071 0.008 . 1 . 241 . . 109 TYR HA . 18007 1
276 . 1 1 26 26 TYR CB C 13 42.320 0.067 . 1 . 242 . . 109 TYR CB . 18007 1
277 . 1 1 26 26 TYR HB2 H 1 2.671 0.005 . 2 . 243 . . 109 TYR HB2 . 18007 1
278 . 1 1 26 26 TYR HB3 H 1 3.498 0.003 . 2 . 244 . . 109 TYR HB3 . 18007 1
279 . 1 1 26 26 TYR HD1 H 1 7.162 0.004 . 3 . 245 . . 109 TYR HD1 . 18007 1
280 . 1 1 26 26 TYR HD2 H 1 7.162 0.004 . 3 . 245 . . 109 TYR HD2 . 18007 1
281 . 1 1 26 26 TYR HE1 H 1 7.328 0.009 . 3 . 246 . . 109 TYR HE1 . 18007 1
282 . 1 1 26 26 TYR HE2 H 1 7.328 0.009 . 3 . 246 . . 109 TYR HE2 . 18007 1
283 . 1 1 26 26 TYR CD1 C 13 134.002 0.078 . 3 . 247 . . 109 TYR CD1 . 18007 1
284 . 1 1 26 26 TYR CD2 C 13 134.002 0.078 . 3 . 247 . . 109 TYR CD2 . 18007 1
285 . 1 1 26 26 TYR CE1 C 13 118.682 0.143 . 3 . 248 . . 109 TYR CE1 . 18007 1
286 . 1 1 26 26 TYR CE2 C 13 118.682 0.143 . 3 . 248 . . 109 TYR CE2 . 18007 1
287 . 1 1 27 27 PRO CD C 13 51.151 0.103 . 1 . 249 . . 110 PRO CD . 18007 1
288 . 1 1 27 27 PRO CA C 13 63.027 0.062 . 1 . 250 . . 110 PRO CA . 18007 1
289 . 1 1 27 27 PRO HA H 1 4.923 0.013 . 1 . 251 . . 110 PRO HA . 18007 1
290 . 1 1 27 27 PRO CB C 13 32.957 0.084 . 1 . 252 . . 110 PRO CB . 18007 1
291 . 1 1 27 27 PRO HB2 H 1 2.112 0.020 . 2 . 253 . . 110 PRO HB2 . 18007 1
292 . 1 1 27 27 PRO HB3 H 1 2.579 0.004 . 2 . 254 . . 110 PRO HB3 . 18007 1
293 . 1 1 27 27 PRO CG C 13 27.698 0.047 . 1 . 255 . . 110 PRO CG . 18007 1
294 . 1 1 27 27 PRO HG2 H 1 2.191 0.001 . 2 . 256 . . 110 PRO HG2 . 18007 1
295 . 1 1 27 27 PRO HG3 H 1 2.339 0.010 . 2 . 257 . . 110 PRO HG3 . 18007 1
296 . 1 1 27 27 PRO HD2 H 1 3.993 0.004 . 2 . 258 . . 110 PRO HD2 . 18007 1
297 . 1 1 27 27 PRO HD3 H 1 4.201 0.008 . 2 . 259 . . 110 PRO HD3 . 18007 1
298 . 1 1 28 28 ALA N N 15 124.847 0.041 . 1 . 260 . . 111 ALA N . 18007 1
299 . 1 1 28 28 ALA H H 1 8.893 0.013 . 1 . 261 . . 111 ALA H . 18007 1
300 . 1 1 28 28 ALA CA C 13 51.433 0.016 . 1 . 262 . . 111 ALA CA . 18007 1
301 . 1 1 28 28 ALA HA H 1 5.142 0.020 . 1 . 263 . . 111 ALA HA . 18007 1
302 . 1 1 28 28 ALA HB1 H 1 0.830 0.020 . 1 . 264 . . 111 ALA HB1 . 18007 1
303 . 1 1 28 28 ALA HB2 H 1 0.830 0.020 . 1 . 264 . . 111 ALA HB2 . 18007 1
304 . 1 1 28 28 ALA HB3 H 1 0.830 0.020 . 1 . 264 . . 111 ALA HB3 . 18007 1
305 . 1 1 28 28 ALA CB C 13 23.157 0.019 . 1 . 265 . . 111 ALA CB . 18007 1
306 . 1 1 29 29 THR N N 15 110.450 0.009 . 1 . 266 . . 112 THR N . 18007 1
307 . 1 1 29 29 THR H H 1 7.985 0.002 . 1 . 267 . . 112 THR H . 18007 1
308 . 1 1 29 29 THR CA C 13 60.296 0.022 . 1 . 268 . . 112 THR CA . 18007 1
309 . 1 1 29 29 THR HA H 1 5.181 0.001 . 1 . 269 . . 112 THR HA . 18007 1
310 . 1 1 29 29 THR CB C 13 72.103 0.008 . 1 . 270 . . 112 THR CB . 18007 1
311 . 1 1 29 29 THR HB H 1 3.643 0.001 . 1 . 271 . . 112 THR HB . 18007 1
312 . 1 1 29 29 THR HG21 H 1 1.061 0.020 . 1 . 272 . . 112 THR HG21 . 18007 1
313 . 1 1 29 29 THR HG22 H 1 1.061 0.020 . 1 . 272 . . 112 THR HG22 . 18007 1
314 . 1 1 29 29 THR HG23 H 1 1.061 0.020 . 1 . 272 . . 112 THR HG23 . 18007 1
315 . 1 1 29 29 THR CG2 C 13 22.032 0.113 . 1 . 273 . . 112 THR CG2 . 18007 1
316 . 1 1 30 30 ILE N N 15 121.898 0.027 . 1 . 274 . . 113 ILE N . 18007 1
317 . 1 1 30 30 ILE H H 1 8.233 0.003 . 1 . 275 . . 113 ILE H . 18007 1
318 . 1 1 30 30 ILE CA C 13 63.341 0.026 . 1 . 276 . . 113 ILE CA . 18007 1
319 . 1 1 30 30 ILE HA H 1 3.907 0.004 . 1 . 277 . . 113 ILE HA . 18007 1
320 . 1 1 30 30 ILE CB C 13 38.340 0.019 . 1 . 278 . . 113 ILE CB . 18007 1
321 . 1 1 30 30 ILE HB H 1 1.880 0.004 . 1 . 279 . . 113 ILE HB . 18007 1
322 . 1 1 30 30 ILE HG21 H 1 0.590 0.015 . 1 . 280 . . 113 ILE HG21 . 18007 1
323 . 1 1 30 30 ILE HG22 H 1 0.590 0.015 . 1 . 280 . . 113 ILE HG22 . 18007 1
324 . 1 1 30 30 ILE HG23 H 1 0.590 0.015 . 1 . 280 . . 113 ILE HG23 . 18007 1
325 . 1 1 30 30 ILE CG2 C 13 19.012 0.018 . 1 . 281 . . 113 ILE CG2 . 18007 1
326 . 1 1 30 30 ILE CG1 C 13 28.185 0.077 . 1 . 282 . . 113 ILE CG1 . 18007 1
327 . 1 1 30 30 ILE HG12 H 1 0.498 0.005 . 2 . 283 . . 113 ILE HG12 . 18007 1
328 . 1 1 30 30 ILE HG13 H 1 1.573 0.005 . 2 . 284 . . 113 ILE HG13 . 18007 1
329 . 1 1 30 30 ILE HD11 H 1 0.548 0.002 . 1 . 285 . . 113 ILE HD11 . 18007 1
330 . 1 1 30 30 ILE HD12 H 1 0.548 0.002 . 1 . 285 . . 113 ILE HD12 . 18007 1
331 . 1 1 30 30 ILE HD13 H 1 0.548 0.002 . 1 . 285 . . 113 ILE HD13 . 18007 1
332 . 1 1 30 30 ILE CD1 C 13 14.939 0.031 . 1 . 286 . . 113 ILE CD1 . 18007 1
333 . 1 1 31 31 ALA N N 15 133.957 0.009 . 1 . 287 . . 114 ALA N . 18007 1
334 . 1 1 31 31 ALA H H 1 9.530 0.006 . 1 . 288 . . 114 ALA H . 18007 1
335 . 1 1 31 31 ALA CA C 13 53.300 0.043 . 1 . 289 . . 114 ALA CA . 18007 1
336 . 1 1 31 31 ALA HA H 1 4.419 0.020 . 1 . 290 . . 114 ALA HA . 18007 1
337 . 1 1 31 31 ALA HB1 H 1 1.228 0.020 . 1 . 291 . . 114 ALA HB1 . 18007 1
338 . 1 1 31 31 ALA HB2 H 1 1.228 0.020 . 1 . 291 . . 114 ALA HB2 . 18007 1
339 . 1 1 31 31 ALA HB3 H 1 1.228 0.020 . 1 . 291 . . 114 ALA HB3 . 18007 1
340 . 1 1 31 31 ALA CB C 13 20.211 0.007 . 1 . 292 . . 114 ALA CB . 18007 1
341 . 1 1 32 32 SER N N 15 109.788 0.005 . 1 . 293 . . 115 SER N . 18007 1
342 . 1 1 32 32 SER H H 1 7.575 0.005 . 1 . 294 . . 115 SER H . 18007 1
343 . 1 1 32 32 SER CA C 13 57.776 0.047 . 1 . 295 . . 115 SER CA . 18007 1
344 . 1 1 32 32 SER HA H 1 4.378 0.020 . 1 . 296 . . 115 SER HA . 18007 1
345 . 1 1 32 32 SER CB C 13 63.663 0.008 . 1 . 297 . . 115 SER CB . 18007 1
346 . 1 1 32 32 SER HB2 H 1 3.735 0.020 . 1 . 298 . . 115 SER HB2 . 18007 1
347 . 1 1 32 32 SER HB3 H 1 3.735 0.020 . 1 . 626 . . 115 SER HB3 . 18007 1
348 . 1 1 33 33 ILE N N 15 120.486 0.031 . 1 . 299 . . 116 ILE N . 18007 1
349 . 1 1 33 33 ILE H H 1 8.389 0.009 . 1 . 300 . . 116 ILE H . 18007 1
350 . 1 1 33 33 ILE CA C 13 61.722 0.069 . 1 . 301 . . 116 ILE CA . 18007 1
351 . 1 1 33 33 ILE HA H 1 4.132 0.011 . 1 . 302 . . 116 ILE HA . 18007 1
352 . 1 1 33 33 ILE CB C 13 42.962 0.031 . 1 . 303 . . 116 ILE CB . 18007 1
353 . 1 1 33 33 ILE HB H 1 0.992 0.017 . 1 . 304 . . 116 ILE HB . 18007 1
354 . 1 1 33 33 ILE HG21 H 1 0.026 0.004 . 1 . 305 . . 116 ILE HG21 . 18007 1
355 . 1 1 33 33 ILE HG22 H 1 0.026 0.004 . 1 . 305 . . 116 ILE HG22 . 18007 1
356 . 1 1 33 33 ILE HG23 H 1 0.026 0.004 . 1 . 305 . . 116 ILE HG23 . 18007 1
357 . 1 1 33 33 ILE CG2 C 13 16.154 0.019 . 1 . 306 . . 116 ILE CG2 . 18007 1
358 . 1 1 33 33 ILE CG1 C 13 29.299 0.153 . 1 . 307 . . 116 ILE CG1 . 18007 1
359 . 1 1 33 33 ILE HG12 H 1 0.456 0.010 . 2 . 308 . . 116 ILE HG12 . 18007 1
360 . 1 1 33 33 ILE HG13 H 1 1.192 0.009 . 2 . 309 . . 116 ILE HG13 . 18007 1
361 . 1 1 33 33 ILE HD11 H 1 0.649 0.012 . 1 . 310 . . 116 ILE HD11 . 18007 1
362 . 1 1 33 33 ILE HD12 H 1 0.649 0.012 . 1 . 310 . . 116 ILE HD12 . 18007 1
363 . 1 1 33 33 ILE HD13 H 1 0.649 0.012 . 1 . 310 . . 116 ILE HD13 . 18007 1
364 . 1 1 33 33 ILE CD1 C 13 14.285 0.020 . 1 . 311 . . 116 ILE CD1 . 18007 1
365 . 1 1 34 34 ASP N N 15 127.014 0.006 . 1 . 312 . . 117 ASP N . 18007 1
366 . 1 1 34 34 ASP H H 1 8.622 0.021 . 1 . 313 . . 117 ASP H . 18007 1
367 . 1 1 34 34 ASP HA H 1 4.752 0.001 . 1 . 314 . . 117 ASP HA . 18007 1
368 . 1 1 34 34 ASP CB C 13 40.989 0.015 . 1 . 315 . . 117 ASP CB . 18007 1
369 . 1 1 34 34 ASP HB2 H 1 2.171 0.020 . 2 . 316 . . 117 ASP HB2 . 18007 1
370 . 1 1 34 34 ASP HB3 H 1 3.137 0.020 . 2 . 317 . . 117 ASP HB3 . 18007 1
371 . 1 1 35 35 PHE N N 15 122.842 0.011 . 1 . 318 . . 118 PHE N . 18007 1
372 . 1 1 35 35 PHE H H 1 8.634 0.001 . 1 . 319 . . 118 PHE H . 18007 1
373 . 1 1 35 35 PHE CA C 13 61.864 0.042 . 1 . 320 . . 118 PHE CA . 18007 1
374 . 1 1 35 35 PHE HA H 1 4.093 0.004 . 1 . 321 . . 118 PHE HA . 18007 1
375 . 1 1 35 35 PHE CB C 13 39.033 0.018 . 1 . 322 . . 118 PHE CB . 18007 1
376 . 1 1 35 35 PHE HB2 H 1 2.931 0.001 . 2 . 323 . . 118 PHE HB2 . 18007 1
377 . 1 1 35 35 PHE HB3 H 1 3.273 0.003 . 2 . 324 . . 118 PHE HB3 . 18007 1
378 . 1 1 35 35 PHE HD1 H 1 7.358 0.001 . 3 . 325 . . 118 PHE HD1 . 18007 1
379 . 1 1 35 35 PHE HD2 H 1 7.358 0.001 . 3 . 325 . . 118 PHE HD2 . 18007 1
380 . 1 1 35 35 PHE HE1 H 1 7.440 0.003 . 3 . 326 . . 118 PHE HE1 . 18007 1
381 . 1 1 35 35 PHE HE2 H 1 7.440 0.003 . 3 . 326 . . 118 PHE HE2 . 18007 1
382 . 1 1 35 35 PHE CD1 C 13 131.945 0.111 . 3 . 327 . . 118 PHE CD1 . 18007 1
383 . 1 1 35 35 PHE CD2 C 13 131.945 0.111 . 3 . 327 . . 118 PHE CD2 . 18007 1
384 . 1 1 35 35 PHE CE1 C 13 131.709 0.196 . 3 . 328 . . 118 PHE CE1 . 18007 1
385 . 1 1 35 35 PHE CE2 C 13 131.709 0.196 . 3 . 328 . . 118 PHE CE2 . 18007 1
386 . 1 1 35 35 PHE CZ C 13 130.682 0.200 . 1 . 329 . . 118 PHE CZ . 18007 1
387 . 1 1 35 35 PHE HZ H 1 7.442 0.020 . 1 . 330 . . 118 PHE HZ . 18007 1
388 . 1 1 36 36 LYS N N 15 119.205 0.018 . 1 . 331 . . 119 LYS N . 18007 1
389 . 1 1 36 36 LYS H H 1 8.256 0.011 . 1 . 332 . . 119 LYS H . 18007 1
390 . 1 1 36 36 LYS CA C 13 58.772 0.080 . 1 . 333 . . 119 LYS CA . 18007 1
391 . 1 1 36 36 LYS HA H 1 4.236 0.011 . 1 . 334 . . 119 LYS HA . 18007 1
392 . 1 1 36 36 LYS CB C 13 32.130 0.104 . 1 . 335 . . 119 LYS CB . 18007 1
393 . 1 1 36 36 LYS HB2 H 1 1.970 0.007 . 1 . 336 . . 119 LYS HB2 . 18007 1
394 . 1 1 36 36 LYS CG C 13 25.111 0.108 . 1 . 337 . . 119 LYS CG . 18007 1
395 . 1 1 36 36 LYS HG2 H 1 1.432 0.014 . 2 . 338 . . 119 LYS HG2 . 18007 1
396 . 1 1 36 36 LYS HG3 H 1 1.517 0.023 . 2 . 339 . . 119 LYS HG3 . 18007 1
397 . 1 1 36 36 LYS CD C 13 28.894 0.112 . 1 . 340 . . 119 LYS CD . 18007 1
398 . 1 1 36 36 LYS HD2 H 1 1.659 0.020 . 2 . 341 . . 119 LYS HD2 . 18007 1
399 . 1 1 36 36 LYS HD3 H 1 1.706 0.020 . 2 . 342 . . 119 LYS HD3 . 18007 1
400 . 1 1 36 36 LYS HB3 H 1 1.970 0.007 . 1 . 627 . . 119 LYS HB3 . 18007 1
401 . 1 1 37 37 ARG N N 15 116.699 0.012 . 1 . 343 . . 120 ARG N . 18007 1
402 . 1 1 37 37 ARG H H 1 7.549 0.014 . 1 . 344 . . 120 ARG H . 18007 1
403 . 1 1 37 37 ARG CA C 13 56.454 0.052 . 1 . 345 . . 120 ARG CA . 18007 1
404 . 1 1 37 37 ARG HA H 1 4.197 0.011 . 1 . 346 . . 120 ARG HA . 18007 1
405 . 1 1 37 37 ARG CB C 13 31.175 0.023 . 1 . 347 . . 120 ARG CB . 18007 1
406 . 1 1 37 37 ARG HB2 H 1 1.418 0.020 . 2 . 348 . . 120 ARG HB2 . 18007 1
407 . 1 1 37 37 ARG HB3 H 1 1.901 0.008 . 2 . 349 . . 120 ARG HB3 . 18007 1
408 . 1 1 37 37 ARG CG C 13 28.758 0.171 . 1 . 350 . . 120 ARG CG . 18007 1
409 . 1 1 37 37 ARG HG2 H 1 1.507 0.010 . 2 . 351 . . 120 ARG HG2 . 18007 1
410 . 1 1 37 37 ARG HG3 H 1 1.648 0.006 . 2 . 352 . . 120 ARG HG3 . 18007 1
411 . 1 1 37 37 ARG CD C 13 43.307 0.129 . 1 . 353 . . 120 ARG CD . 18007 1
412 . 1 1 37 37 ARG HD2 H 1 3.114 0.008 . 2 . 354 . . 120 ARG HD2 . 18007 1
413 . 1 1 37 37 ARG HD3 H 1 3.172 0.005 . 2 . 355 . . 120 ARG HD3 . 18007 1
414 . 1 1 38 38 GLU N N 15 115.175 0.048 . 1 . 356 . . 121 GLU N . 18007 1
415 . 1 1 38 38 GLU H H 1 8.089 0.005 . 1 . 357 . . 121 GLU H . 18007 1
416 . 1 1 38 38 GLU CA C 13 57.765 0.033 . 1 . 358 . . 121 GLU CA . 18007 1
417 . 1 1 38 38 GLU HA H 1 3.701 0.003 . 1 . 359 . . 121 GLU HA . 18007 1
418 . 1 1 38 38 GLU CB C 13 26.598 0.035 . 1 . 360 . . 121 GLU CB . 18007 1
419 . 1 1 38 38 GLU HB2 H 1 2.168 0.005 . 2 . 361 . . 121 GLU HB2 . 18007 1
420 . 1 1 38 38 GLU HB3 H 1 2.426 0.009 . 2 . 362 . . 121 GLU HB3 . 18007 1
421 . 1 1 38 38 GLU CG C 13 37.094 0.041 . 1 . 363 . . 121 GLU CG . 18007 1
422 . 1 1 38 38 GLU HG2 H 1 2.167 0.016 . 1 . 364 . . 121 GLU HG2 . 18007 1
423 . 1 1 38 38 GLU HG3 H 1 2.167 0.016 . 1 . 628 . . 121 GLU HG3 . 18007 1
424 . 1 1 39 39 THR N N 15 109.735 0.012 . 1 . 365 . . 122 THR N . 18007 1
425 . 1 1 39 39 THR H H 1 7.919 0.020 . 1 . 366 . . 122 THR H . 18007 1
426 . 1 1 39 39 THR CA C 13 59.369 0.006 . 1 . 367 . . 122 THR CA . 18007 1
427 . 1 1 39 39 THR HA H 1 5.077 0.003 . 1 . 368 . . 122 THR HA . 18007 1
428 . 1 1 39 39 THR CB C 13 72.686 0.100 . 1 . 369 . . 122 THR CB . 18007 1
429 . 1 1 39 39 THR HB H 1 4.159 0.001 . 1 . 370 . . 122 THR HB . 18007 1
430 . 1 1 39 39 THR HG21 H 1 1.069 0.009 . 1 . 371 . . 122 THR HG21 . 18007 1
431 . 1 1 39 39 THR HG22 H 1 1.069 0.009 . 1 . 371 . . 122 THR HG22 . 18007 1
432 . 1 1 39 39 THR HG23 H 1 1.069 0.009 . 1 . 371 . . 122 THR HG23 . 18007 1
433 . 1 1 39 39 THR CG2 C 13 21.363 0.050 . 1 . 372 . . 122 THR CG2 . 18007 1
434 . 1 1 40 40 CYS N N 15 114.270 0.024 . 1 . 373 . . 123 CYS N . 18007 1
435 . 1 1 40 40 CYS H H 1 9.372 0.002 . 1 . 374 . . 123 CYS H . 18007 1
436 . 1 1 40 40 CYS CA C 13 55.202 0.014 . 1 . 375 . . 123 CYS CA . 18007 1
437 . 1 1 40 40 CYS HA H 1 5.135 0.002 . 1 . 376 . . 123 CYS HA . 18007 1
438 . 1 1 40 40 CYS CB C 13 32.487 0.012 . 1 . 377 . . 123 CYS CB . 18007 1
439 . 1 1 40 40 CYS HB2 H 1 2.630 0.001 . 2 . 378 . . 123 CYS HB2 . 18007 1
440 . 1 1 40 40 CYS HB3 H 1 3.088 0.002 . 2 . 379 . . 123 CYS HB3 . 18007 1
441 . 1 1 40 40 CYS HG H 1 0.880 0.007 . 1 . 380 . . 123 CYS HG . 18007 1
442 . 1 1 41 41 VAL N N 15 118.960 0.043 . 1 . 381 . . 124 VAL N . 18007 1
443 . 1 1 41 41 VAL H H 1 8.011 0.009 . 1 . 382 . . 124 VAL H . 18007 1
444 . 1 1 41 41 VAL CA C 13 61.843 0.075 . 1 . 383 . . 124 VAL CA . 18007 1
445 . 1 1 41 41 VAL HA H 1 4.535 0.009 . 1 . 384 . . 124 VAL HA . 18007 1
446 . 1 1 41 41 VAL CB C 13 33.174 0.177 . 1 . 385 . . 124 VAL CB . 18007 1
447 . 1 1 41 41 VAL HB H 1 1.877 0.009 . 1 . 386 . . 124 VAL HB . 18007 1
448 . 1 1 41 41 VAL HG11 H 1 0.688 0.012 . 2 . 387 . . 124 VAL HG11 . 18007 1
449 . 1 1 41 41 VAL HG12 H 1 0.688 0.012 . 2 . 387 . . 124 VAL HG12 . 18007 1
450 . 1 1 41 41 VAL HG13 H 1 0.688 0.012 . 2 . 387 . . 124 VAL HG13 . 18007 1
451 . 1 1 41 41 VAL HG21 H 1 0.746 0.004 . 2 . 388 . . 124 VAL HG21 . 18007 1
452 . 1 1 41 41 VAL HG22 H 1 0.746 0.004 . 2 . 388 . . 124 VAL HG22 . 18007 1
453 . 1 1 41 41 VAL HG23 H 1 0.746 0.004 . 2 . 388 . . 124 VAL HG23 . 18007 1
454 . 1 1 41 41 VAL CG1 C 13 21.441 0.078 . 2 . 389 . . 124 VAL CG1 . 18007 1
455 . 1 1 41 41 VAL CG2 C 13 21.614 0.018 . 2 . 390 . . 124 VAL CG2 . 18007 1
456 . 1 1 42 42 VAL N N 15 119.332 0.131 . 1 . 391 . . 125 VAL N . 18007 1
457 . 1 1 42 42 VAL H H 1 8.655 0.008 . 1 . 392 . . 125 VAL H . 18007 1
458 . 1 1 42 42 VAL CA C 13 57.809 0.079 . 1 . 393 . . 125 VAL CA . 18007 1
459 . 1 1 42 42 VAL HA H 1 5.019 0.020 . 1 . 394 . . 125 VAL HA . 18007 1
460 . 1 1 42 42 VAL CB C 13 33.812 0.304 . 1 . 395 . . 125 VAL CB . 18007 1
461 . 1 1 42 42 VAL HB H 1 1.383 0.020 . 1 . 396 . . 125 VAL HB . 18007 1
462 . 1 1 42 42 VAL HG11 H 1 0.443 0.002 . 2 . 397 . . 125 VAL HG11 . 18007 1
463 . 1 1 42 42 VAL HG12 H 1 0.443 0.002 . 2 . 397 . . 125 VAL HG12 . 18007 1
464 . 1 1 42 42 VAL HG13 H 1 0.443 0.002 . 2 . 397 . . 125 VAL HG13 . 18007 1
465 . 1 1 42 42 VAL HG21 H 1 0.256 0.002 . 2 . 398 . . 125 VAL HG21 . 18007 1
466 . 1 1 42 42 VAL HG22 H 1 0.256 0.002 . 2 . 398 . . 125 VAL HG22 . 18007 1
467 . 1 1 42 42 VAL HG23 H 1 0.256 0.002 . 2 . 398 . . 125 VAL HG23 . 18007 1
468 . 1 1 42 42 VAL CG1 C 13 22.903 0.035 . 2 . 399 . . 125 VAL CG1 . 18007 1
469 . 1 1 42 42 VAL CG2 C 13 17.548 0.038 . 2 . 400 . . 125 VAL CG2 . 18007 1
470 . 1 1 43 43 VAL N N 15 118.603 0.004 . 1 . 401 . . 126 VAL N . 18007 1
471 . 1 1 43 43 VAL H H 1 8.432 0.007 . 1 . 402 . . 126 VAL H . 18007 1
472 . 1 1 43 43 VAL CA C 13 59.523 0.149 . 1 . 403 . . 126 VAL CA . 18007 1
473 . 1 1 43 43 VAL HA H 1 4.532 0.003 . 1 . 404 . . 126 VAL HA . 18007 1
474 . 1 1 43 43 VAL CB C 13 33.705 0.036 . 1 . 405 . . 126 VAL CB . 18007 1
475 . 1 1 43 43 VAL HB H 1 1.680 0.004 . 1 . 406 . . 126 VAL HB . 18007 1
476 . 1 1 43 43 VAL HG11 H 1 0.671 0.020 . 2 . 407 . . 126 VAL HG11 . 18007 1
477 . 1 1 43 43 VAL HG12 H 1 0.671 0.020 . 2 . 407 . . 126 VAL HG12 . 18007 1
478 . 1 1 43 43 VAL HG13 H 1 0.671 0.020 . 2 . 407 . . 126 VAL HG13 . 18007 1
479 . 1 1 43 43 VAL HG21 H 1 0.707 0.002 . 2 . 408 . . 126 VAL HG21 . 18007 1
480 . 1 1 43 43 VAL HG22 H 1 0.707 0.002 . 2 . 408 . . 126 VAL HG22 . 18007 1
481 . 1 1 43 43 VAL HG23 H 1 0.707 0.002 . 2 . 408 . . 126 VAL HG23 . 18007 1
482 . 1 1 43 43 VAL CG1 C 13 20.341 0.200 . 2 . 409 . . 126 VAL CG1 . 18007 1
483 . 1 1 43 43 VAL CG2 C 13 21.210 0.065 . 2 . 410 . . 126 VAL CG2 . 18007 1
484 . 1 1 44 44 TYR N N 15 127.865 0.031 . 1 . 411 . . 127 TYR N . 18007 1
485 . 1 1 44 44 TYR H H 1 8.389 0.004 . 1 . 412 . . 127 TYR H . 18007 1
486 . 1 1 44 44 TYR CA C 13 60.321 0.034 . 1 . 413 . . 127 TYR CA . 18007 1
487 . 1 1 44 44 TYR HA H 1 4.441 0.004 . 1 . 414 . . 127 TYR HA . 18007 1
488 . 1 1 44 44 TYR CB C 13 38.012 0.052 . 1 . 415 . . 127 TYR CB . 18007 1
489 . 1 1 44 44 TYR HB2 H 1 2.622 0.020 . 2 . 416 . . 127 TYR HB2 . 18007 1
490 . 1 1 44 44 TYR HB3 H 1 2.977 0.020 . 2 . 417 . . 127 TYR HB3 . 18007 1
491 . 1 1 44 44 TYR HD1 H 1 6.790 0.012 . 3 . 418 . . 127 TYR HD1 . 18007 1
492 . 1 1 44 44 TYR HD2 H 1 6.790 0.012 . 3 . 418 . . 127 TYR HD2 . 18007 1
493 . 1 1 44 44 TYR HE1 H 1 6.582 0.008 . 3 . 419 . . 127 TYR HE1 . 18007 1
494 . 1 1 44 44 TYR HE2 H 1 6.582 0.008 . 3 . 419 . . 127 TYR HE2 . 18007 1
495 . 1 1 44 44 TYR CD1 C 13 132.715 0.040 . 3 . 420 . . 127 TYR CD1 . 18007 1
496 . 1 1 44 44 TYR CD2 C 13 132.715 0.040 . 3 . 420 . . 127 TYR CD2 . 18007 1
497 . 1 1 44 44 TYR CE1 C 13 117.705 0.138 . 3 . 421 . . 127 TYR CE1 . 18007 1
498 . 1 1 44 44 TYR CE2 C 13 117.705 0.138 . 3 . 421 . . 127 TYR CE2 . 18007 1
499 . 1 1 44 44 TYR HH H 1 9.549 0.008 . 1 . 422 . . 127 TYR HH . 18007 1
500 . 1 1 45 45 THR N N 15 125.838 0.004 . 1 . 423 . . 128 THR N . 18007 1
501 . 1 1 45 45 THR H H 1 8.683 0.010 . 1 . 424 . . 128 THR H . 18007 1
502 . 1 1 45 45 THR CA C 13 64.779 0.020 . 1 . 425 . . 128 THR CA . 18007 1
503 . 1 1 45 45 THR HA H 1 3.870 0.020 . 1 . 426 . . 128 THR HA . 18007 1
504 . 1 1 45 45 THR CB C 13 69.007 0.009 . 1 . 427 . . 128 THR CB . 18007 1
505 . 1 1 45 45 THR HB H 1 3.873 0.020 . 1 . 428 . . 128 THR HB . 18007 1
506 . 1 1 45 45 THR HG21 H 1 1.228 0.020 . 1 . 429 . . 128 THR HG21 . 18007 1
507 . 1 1 45 45 THR HG22 H 1 1.228 0.020 . 1 . 429 . . 128 THR HG22 . 18007 1
508 . 1 1 45 45 THR HG23 H 1 1.228 0.020 . 1 . 429 . . 128 THR HG23 . 18007 1
509 . 1 1 45 45 THR CG2 C 13 22.479 0.018 . 1 . 430 . . 128 THR CG2 . 18007 1
510 . 1 1 46 46 GLY CA C 13 45.832 0.102 . 1 . 431 . . 129 GLY CA . 18007 1
511 . 1 1 46 46 GLY HA2 H 1 3.349 0.020 . 2 . 432 . . 129 GLY HA2 . 18007 1
512 . 1 1 46 46 GLY HA3 H 1 4.009 0.020 . 2 . 433 . . 129 GLY HA3 . 18007 1
513 . 1 1 47 47 TYR N N 15 118.957 0.032 . 1 . 434 . . 130 TYR N . 18007 1
514 . 1 1 47 47 TYR H H 1 7.439 0.005 . 1 . 435 . . 130 TYR H . 18007 1
515 . 1 1 47 47 TYR CA C 13 59.883 0.032 . 1 . 436 . . 130 TYR CA . 18007 1
516 . 1 1 47 47 TYR HA H 1 4.248 0.009 . 1 . 437 . . 130 TYR HA . 18007 1
517 . 1 1 47 47 TYR CB C 13 41.212 0.103 . 1 . 438 . . 130 TYR CB . 18007 1
518 . 1 1 47 47 TYR HB2 H 1 2.303 0.001 . 2 . 439 . . 130 TYR HB2 . 18007 1
519 . 1 1 47 47 TYR HB3 H 1 3.042 0.001 . 2 . 440 . . 130 TYR HB3 . 18007 1
520 . 1 1 47 47 TYR HD1 H 1 6.793 0.020 . 3 . 441 . . 130 TYR HD1 . 18007 1
521 . 1 1 47 47 TYR HD2 H 1 6.793 0.020 . 3 . 441 . . 130 TYR HD2 . 18007 1
522 . 1 1 47 47 TYR HE1 H 1 6.705 0.007 . 3 . 442 . . 130 TYR HE1 . 18007 1
523 . 1 1 47 47 TYR HE2 H 1 6.705 0.007 . 3 . 442 . . 130 TYR HE2 . 18007 1
524 . 1 1 47 47 TYR CD1 C 13 132.723 0.163 . 3 . 443 . . 130 TYR CD1 . 18007 1
525 . 1 1 47 47 TYR CD2 C 13 132.723 0.163 . 3 . 443 . . 130 TYR CD2 . 18007 1
526 . 1 1 47 47 TYR CE1 C 13 118.407 0.178 . 3 . 444 . . 130 TYR CE1 . 18007 1
527 . 1 1 47 47 TYR CE2 C 13 118.407 0.178 . 3 . 444 . . 130 TYR CE2 . 18007 1
528 . 1 1 48 48 GLY N N 15 103.996 0.049 . 1 . 445 . . 131 GLY N . 18007 1
529 . 1 1 48 48 GLY H H 1 8.421 0.011 . 1 . 446 . . 131 GLY H . 18007 1
530 . 1 1 48 48 GLY CA C 13 45.725 0.026 . 1 . 447 . . 131 GLY CA . 18007 1
531 . 1 1 48 48 GLY HA2 H 1 3.578 0.020 . 2 . 448 . . 131 GLY HA2 . 18007 1
532 . 1 1 48 48 GLY HA3 H 1 4.117 0.020 . 2 . 449 . . 131 GLY HA3 . 18007 1
533 . 1 1 49 49 ASN N N 15 115.998 0.053 . 1 . 450 . . 132 ASN N . 18007 1
534 . 1 1 49 49 ASN H H 1 8.117 0.002 . 1 . 451 . . 132 ASN H . 18007 1
535 . 1 1 49 49 ASN CA C 13 53.319 0.200 . 1 . 452 . . 132 ASN CA . 18007 1
536 . 1 1 49 49 ASN HA H 1 4.724 0.002 . 1 . 453 . . 132 ASN HA . 18007 1
537 . 1 1 49 49 ASN CB C 13 38.030 0.095 . 1 . 454 . . 132 ASN CB . 18007 1
538 . 1 1 49 49 ASN HB2 H 1 2.707 0.005 . 2 . 455 . . 132 ASN HB2 . 18007 1
539 . 1 1 49 49 ASN HB3 H 1 2.742 0.008 . 2 . 456 . . 132 ASN HB3 . 18007 1
540 . 1 1 49 49 ASN ND2 N 15 114.300 0.100 . 1 . 457 . . 132 ASN ND2 . 18007 1
541 . 1 1 49 49 ASN HD21 H 1 8.229 0.020 . 1 . 458 . . 132 ASN HD21 . 18007 1
542 . 1 1 49 49 ASN HD22 H 1 4.984 0.003 . 1 . 459 . . 132 ASN HD22 . 18007 1
543 . 1 1 50 50 ARG N N 15 118.258 0.023 . 1 . 460 . . 133 ARG N . 18007 1
544 . 1 1 50 50 ARG H H 1 8.575 0.015 . 1 . 461 . . 133 ARG H . 18007 1
545 . 1 1 50 50 ARG CA C 13 54.040 0.027 . 1 . 462 . . 133 ARG CA . 18007 1
546 . 1 1 50 50 ARG HA H 1 5.792 0.010 . 1 . 463 . . 133 ARG HA . 18007 1
547 . 1 1 50 50 ARG CB C 13 34.102 0.005 . 1 . 464 . . 133 ARG CB . 18007 1
548 . 1 1 50 50 ARG HB2 H 1 1.575 0.004 . 1 . 465 . . 133 ARG HB2 . 18007 1
549 . 1 1 50 50 ARG CG C 13 27.143 0.039 . 1 . 466 . . 133 ARG CG . 18007 1
550 . 1 1 50 50 ARG HG2 H 1 1.485 0.002 . 2 . 467 . . 133 ARG HG2 . 18007 1
551 . 1 1 50 50 ARG HG3 H 1 1.570 0.020 . 2 . 468 . . 133 ARG HG3 . 18007 1
552 . 1 1 50 50 ARG CD C 13 43.793 0.116 . 1 . 469 . . 133 ARG CD . 18007 1
553 . 1 1 50 50 ARG HD2 H 1 2.957 0.003 . 2 . 470 . . 133 ARG HD2 . 18007 1
554 . 1 1 50 50 ARG HD3 H 1 3.143 0.003 . 2 . 471 . . 133 ARG HD3 . 18007 1
555 . 1 1 50 50 ARG HB3 H 1 1.575 0.004 . 1 . 629 . . 133 ARG HB3 . 18007 1
556 . 1 1 51 51 GLU N N 15 119.364 0.105 . 1 . 472 . . 134 GLU N . 18007 1
557 . 1 1 51 51 GLU H H 1 8.563 0.004 . 1 . 473 . . 134 GLU H . 18007 1
558 . 1 1 51 51 GLU CA C 13 55.690 0.038 . 1 . 474 . . 134 GLU CA . 18007 1
559 . 1 1 51 51 GLU HA H 1 4.700 0.017 . 1 . 475 . . 134 GLU HA . 18007 1
560 . 1 1 51 51 GLU CB C 13 34.509 0.012 . 1 . 476 . . 134 GLU CB . 18007 1
561 . 1 1 51 51 GLU HB2 H 1 2.274 0.028 . 1 . 477 . . 134 GLU HB2 . 18007 1
562 . 1 1 51 51 GLU CG C 13 35.752 0.075 . 1 . 478 . . 134 GLU CG . 18007 1
563 . 1 1 51 51 GLU HG2 H 1 2.424 0.020 . 2 . 479 . . 134 GLU HG2 . 18007 1
564 . 1 1 51 51 GLU HG3 H 1 2.483 0.020 . 2 . 480 . . 134 GLU HG3 . 18007 1
565 . 1 1 51 51 GLU HB3 H 1 2.274 0.028 . 1 . 630 . . 134 GLU HB3 . 18007 1
566 . 1 1 52 52 GLU N N 15 124.656 0.015 . 1 . 481 . . 135 GLU N . 18007 1
567 . 1 1 52 52 GLU H H 1 8.717 0.016 . 1 . 482 . . 135 GLU H . 18007 1
568 . 1 1 52 52 GLU CA C 13 55.807 0.024 . 1 . 483 . . 135 GLU CA . 18007 1
569 . 1 1 52 52 GLU HA H 1 5.278 0.002 . 1 . 484 . . 135 GLU HA . 18007 1
570 . 1 1 52 52 GLU CB C 13 31.160 0.022 . 1 . 485 . . 135 GLU CB . 18007 1
571 . 1 1 52 52 GLU HB2 H 1 1.899 0.003 . 2 . 486 . . 135 GLU HB2 . 18007 1
572 . 1 1 52 52 GLU HB3 H 1 1.964 0.001 . 2 . 487 . . 135 GLU HB3 . 18007 1
573 . 1 1 52 52 GLU CG C 13 37.594 0.064 . 1 . 488 . . 135 GLU CG . 18007 1
574 . 1 1 52 52 GLU HG2 H 1 2.078 0.005 . 2 . 489 . . 135 GLU HG2 . 18007 1
575 . 1 1 52 52 GLU HG3 H 1 2.273 0.003 . 2 . 490 . . 135 GLU HG3 . 18007 1
576 . 1 1 53 53 GLN N N 15 123.072 0.011 . 1 . 491 . . 136 GLN N . 18007 1
577 . 1 1 53 53 GLN H H 1 9.108 0.016 . 1 . 492 . . 136 GLN H . 18007 1
578 . 1 1 53 53 GLN CA C 13 53.830 0.088 . 1 . 493 . . 136 GLN CA . 18007 1
579 . 1 1 53 53 GLN HA H 1 4.549 0.010 . 1 . 494 . . 136 GLN HA . 18007 1
580 . 1 1 53 53 GLN CB C 13 32.012 0.205 . 1 . 495 . . 136 GLN CB . 18007 1
581 . 1 1 53 53 GLN HB2 H 1 1.238 0.012 . 2 . 496 . . 136 GLN HB2 . 18007 1
582 . 1 1 53 53 GLN HB3 H 1 2.205 0.009 . 2 . 497 . . 136 GLN HB3 . 18007 1
583 . 1 1 53 53 GLN CG C 13 32.748 0.080 . 1 . 498 . . 136 GLN CG . 18007 1
584 . 1 1 53 53 GLN HG2 H 1 1.901 0.008 . 2 . 499 . . 136 GLN HG2 . 18007 1
585 . 1 1 53 53 GLN HG3 H 1 2.178 0.020 . 2 . 500 . . 136 GLN HG3 . 18007 1
586 . 1 1 53 53 GLN NE2 N 15 112.050 0.046 . 1 . 501 . . 136 GLN NE2 . 18007 1
587 . 1 1 53 53 GLN HE21 H 1 7.111 0.002 . 1 . 502 . . 136 GLN HE21 . 18007 1
588 . 1 1 53 53 GLN HE22 H 1 6.383 0.001 . 1 . 503 . . 136 GLN HE22 . 18007 1
589 . 1 1 54 54 ASN N N 15 119.618 0.023 . 1 . 504 . . 137 ASN N . 18007 1
590 . 1 1 54 54 ASN H H 1 9.150 0.015 . 1 . 505 . . 137 ASN H . 18007 1
591 . 1 1 54 54 ASN CA C 13 53.876 0.064 . 1 . 506 . . 137 ASN CA . 18007 1
592 . 1 1 54 54 ASN HA H 1 4.839 0.006 . 1 . 507 . . 137 ASN HA . 18007 1
593 . 1 1 54 54 ASN CB C 13 38.004 0.046 . 1 . 508 . . 137 ASN CB . 18007 1
594 . 1 1 54 54 ASN HB2 H 1 2.609 0.011 . 2 . 509 . . 137 ASN HB2 . 18007 1
595 . 1 1 54 54 ASN HB3 H 1 2.996 0.020 . 2 . 510 . . 137 ASN HB3 . 18007 1
596 . 1 1 54 54 ASN ND2 N 15 114.615 0.062 . 1 . 511 . . 137 ASN ND2 . 18007 1
597 . 1 1 54 54 ASN HD21 H 1 7.508 0.008 . 1 . 512 . . 137 ASN HD21 . 18007 1
598 . 1 1 54 54 ASN HD22 H 1 6.974 0.011 . 1 . 513 . . 137 ASN HD22 . 18007 1
599 . 1 1 55 55 LEU N N 15 125.425 0.048 . 1 . 514 . . 138 LEU N . 18007 1
600 . 1 1 55 55 LEU H H 1 8.412 0.003 . 1 . 515 . . 138 LEU H . 18007 1
601 . 1 1 55 55 LEU CA C 13 58.354 0.030 . 1 . 516 . . 138 LEU CA . 18007 1
602 . 1 1 55 55 LEU HA H 1 3.700 0.006 . 1 . 517 . . 138 LEU HA . 18007 1
603 . 1 1 55 55 LEU CB C 13 42.391 0.040 . 1 . 518 . . 138 LEU CB . 18007 1
604 . 1 1 55 55 LEU HB2 H 1 1.506 0.026 . 2 . 519 . . 138 LEU HB2 . 18007 1
605 . 1 1 55 55 LEU HB3 H 1 1.671 0.001 . 2 . 520 . . 138 LEU HB3 . 18007 1
606 . 1 1 55 55 LEU CG C 13 27.654 0.090 . 1 . 521 . . 138 LEU CG . 18007 1
607 . 1 1 55 55 LEU HG H 1 1.066 0.011 . 1 . 522 . . 138 LEU HG . 18007 1
608 . 1 1 55 55 LEU HD11 H 1 0.778 0.007 . 2 . 523 . . 138 LEU HD11 . 18007 1
609 . 1 1 55 55 LEU HD12 H 1 0.778 0.007 . 2 . 523 . . 138 LEU HD12 . 18007 1
610 . 1 1 55 55 LEU HD13 H 1 0.778 0.007 . 2 . 523 . . 138 LEU HD13 . 18007 1
611 . 1 1 55 55 LEU HD21 H 1 0.659 0.012 . 2 . 524 . . 138 LEU HD21 . 18007 1
612 . 1 1 55 55 LEU HD22 H 1 0.659 0.012 . 2 . 524 . . 138 LEU HD22 . 18007 1
613 . 1 1 55 55 LEU HD23 H 1 0.659 0.012 . 2 . 524 . . 138 LEU HD23 . 18007 1
614 . 1 1 55 55 LEU CD1 C 13 25.539 0.032 . 2 . 525 . . 138 LEU CD1 . 18007 1
615 . 1 1 55 55 LEU CD2 C 13 22.226 0.125 . 2 . 526 . . 138 LEU CD2 . 18007 1
616 . 1 1 56 56 SER N N 15 110.955 0.007 . 1 . 527 . . 139 SER N . 18007 1
617 . 1 1 56 56 SER H H 1 8.770 0.016 . 1 . 528 . . 139 SER H . 18007 1
618 . 1 1 56 56 SER CA C 13 60.421 0.025 . 1 . 529 . . 139 SER CA . 18007 1
619 . 1 1 56 56 SER HA H 1 4.184 0.006 . 1 . 530 . . 139 SER HA . 18007 1
620 . 1 1 56 56 SER CB C 13 63.152 0.080 . 1 . 531 . . 139 SER CB . 18007 1
621 . 1 1 56 56 SER HB2 H 1 3.849 0.001 . 2 . 532 . . 139 SER HB2 . 18007 1
622 . 1 1 56 56 SER HB3 H 1 4.066 0.020 . 2 . 533 . . 139 SER HB3 . 18007 1
623 . 1 1 57 57 ASP N N 15 119.775 0.003 . 1 . 534 . . 140 ASP N . 18007 1
624 . 1 1 57 57 ASP H H 1 7.576 0.016 . 1 . 535 . . 140 ASP H . 18007 1
625 . 1 1 57 57 ASP CA C 13 54.751 0.117 . 1 . 536 . . 140 ASP CA . 18007 1
626 . 1 1 57 57 ASP HA H 1 4.867 0.004 . 1 . 537 . . 140 ASP HA . 18007 1
627 . 1 1 57 57 ASP CB C 13 41.677 0.178 . 1 . 538 . . 140 ASP CB . 18007 1
628 . 1 1 57 57 ASP HB2 H 1 2.836 0.020 . 2 . 539 . . 140 ASP HB2 . 18007 1
629 . 1 1 57 57 ASP HB3 H 1 2.985 0.020 . 2 . 540 . . 140 ASP HB3 . 18007 1
630 . 1 1 58 58 LEU N N 15 120.614 0.005 . 1 . 541 . . 141 LEU N . 18007 1
631 . 1 1 58 58 LEU H H 1 7.085 0.019 . 1 . 542 . . 141 LEU H . 18007 1
632 . 1 1 58 58 LEU CA C 13 55.548 0.039 . 1 . 543 . . 141 LEU CA . 18007 1
633 . 1 1 58 58 LEU HA H 1 4.132 0.007 . 1 . 544 . . 141 LEU HA . 18007 1
634 . 1 1 58 58 LEU CB C 13 42.770 0.062 . 1 . 545 . . 141 LEU CB . 18007 1
635 . 1 1 58 58 LEU HB2 H 1 0.667 0.020 . 2 . 546 . . 141 LEU HB2 . 18007 1
636 . 1 1 58 58 LEU HB3 H 1 1.560 0.003 . 2 . 547 . . 141 LEU HB3 . 18007 1
637 . 1 1 58 58 LEU CG C 13 26.102 0.057 . 1 . 548 . . 141 LEU CG . 18007 1
638 . 1 1 58 58 LEU HG H 1 1.429 0.018 . 1 . 549 . . 141 LEU HG . 18007 1
639 . 1 1 58 58 LEU HD11 H 1 -0.246 0.004 . 2 . 550 . . 141 LEU HD11 . 18007 1
640 . 1 1 58 58 LEU HD12 H 1 -0.246 0.004 . 2 . 550 . . 141 LEU HD12 . 18007 1
641 . 1 1 58 58 LEU HD13 H 1 -0.246 0.004 . 2 . 550 . . 141 LEU HD13 . 18007 1
642 . 1 1 58 58 LEU HD21 H 1 0.260 0.003 . 2 . 551 . . 141 LEU HD21 . 18007 1
643 . 1 1 58 58 LEU HD22 H 1 0.260 0.003 . 2 . 551 . . 141 LEU HD22 . 18007 1
644 . 1 1 58 58 LEU HD23 H 1 0.260 0.003 . 2 . 551 . . 141 LEU HD23 . 18007 1
645 . 1 1 58 58 LEU CD1 C 13 24.449 0.044 . 2 . 552 . . 141 LEU CD1 . 18007 1
646 . 1 1 58 58 LEU CD2 C 13 21.738 0.006 . 2 . 553 . . 141 LEU CD2 . 18007 1
647 . 1 1 59 59 LEU N N 15 121.612 0.002 . 1 . 554 . . 142 LEU N . 18007 1
648 . 1 1 59 59 LEU H H 1 8.369 0.011 . 1 . 555 . . 142 LEU H . 18007 1
649 . 1 1 59 59 LEU CA C 13 53.355 0.063 . 1 . 556 . . 142 LEU CA . 18007 1
650 . 1 1 59 59 LEU HA H 1 4.943 0.005 . 1 . 557 . . 142 LEU HA . 18007 1
651 . 1 1 59 59 LEU CB C 13 44.321 0.023 . 1 . 558 . . 142 LEU CB . 18007 1
652 . 1 1 59 59 LEU HB2 H 1 1.635 0.020 . 1 . 559 . . 142 LEU HB2 . 18007 1
653 . 1 1 59 59 LEU CG C 13 27.538 0.134 . 1 . 560 . . 142 LEU CG . 18007 1
654 . 1 1 59 59 LEU HG H 1 1.632 0.009 . 1 . 561 . . 142 LEU HG . 18007 1
655 . 1 1 59 59 LEU HD11 H 1 0.856 0.020 . 2 . 562 . . 142 LEU HD11 . 18007 1
656 . 1 1 59 59 LEU HD12 H 1 0.856 0.020 . 2 . 562 . . 142 LEU HD12 . 18007 1
657 . 1 1 59 59 LEU HD13 H 1 0.856 0.020 . 2 . 562 . . 142 LEU HD13 . 18007 1
658 . 1 1 59 59 LEU HD21 H 1 0.906 0.008 . 2 . 563 . . 142 LEU HD21 . 18007 1
659 . 1 1 59 59 LEU HD22 H 1 0.906 0.008 . 2 . 563 . . 142 LEU HD22 . 18007 1
660 . 1 1 59 59 LEU HD23 H 1 0.906 0.008 . 2 . 563 . . 142 LEU HD23 . 18007 1
661 . 1 1 59 59 LEU CD1 C 13 25.769 0.020 . 2 . 564 . . 142 LEU CD1 . 18007 1
662 . 1 1 59 59 LEU CD2 C 13 24.062 0.114 . 2 . 565 . . 142 LEU CD2 . 18007 1
663 . 1 1 59 59 LEU HB3 H 1 1.635 0.020 . 1 . 631 . . 142 LEU HB3 . 18007 1
664 . 1 1 60 60 SER N N 15 115.901 0.039 . 1 . 566 . . 143 SER N . 18007 1
665 . 1 1 60 60 SER H H 1 8.491 0.020 . 1 . 567 . . 143 SER H . 18007 1
666 . 1 1 60 60 SER CA C 13 58.141 0.200 . 1 . 568 . . 143 SER CA . 18007 1
667 . 1 1 60 60 SER HA H 1 4.765 0.008 . 1 . 569 . . 143 SER HA . 18007 1
668 . 1 1 60 60 SER CB C 13 62.654 0.032 . 1 . 570 . . 143 SER CB . 18007 1
669 . 1 1 60 60 SER HB2 H 1 3.868 0.020 . 2 . 571 . . 143 SER HB2 . 18007 1
670 . 1 1 60 60 SER HB3 H 1 3.991 0.010 . 2 . 572 . . 143 SER HB3 . 18007 1
671 . 1 1 61 61 PRO CD C 13 50.794 0.043 . 1 . 573 . . 144 PRO CD . 18007 1
672 . 1 1 61 61 PRO CA C 13 63.230 0.021 . 1 . 574 . . 144 PRO CA . 18007 1
673 . 1 1 61 61 PRO HA H 1 4.374 0.011 . 1 . 575 . . 144 PRO HA . 18007 1
674 . 1 1 61 61 PRO CB C 13 32.170 0.009 . 1 . 576 . . 144 PRO CB . 18007 1
675 . 1 1 61 61 PRO HB2 H 1 1.989 0.018 . 1 . 577 . . 144 PRO HB2 . 18007 1
676 . 1 1 61 61 PRO CG C 13 27.535 0.043 . 1 . 578 . . 144 PRO CG . 18007 1
677 . 1 1 61 61 PRO HG2 H 1 1.930 0.002 . 2 . 579 . . 144 PRO HG2 . 18007 1
678 . 1 1 61 61 PRO HG3 H 1 2.030 0.020 . 2 . 580 . . 144 PRO HG3 . 18007 1
679 . 1 1 61 61 PRO HD2 H 1 3.979 0.015 . 1 . 581 . . 144 PRO HD2 . 18007 1
680 . 1 1 61 61 PRO HB3 H 1 1.989 0.018 . 1 . 632 . . 144 PRO HB3 . 18007 1
681 . 1 1 61 61 PRO HD3 H 1 3.979 0.015 . 1 . 633 . . 144 PRO HD3 . 18007 1
682 . 1 1 62 62 ILE N N 15 121.494 0.009 . 1 . 582 . . 145 ILE N . 18007 1
683 . 1 1 62 62 ILE H H 1 8.302 0.017 . 1 . 583 . . 145 ILE H . 18007 1
684 . 1 1 62 62 ILE CA C 13 61.414 0.114 . 1 . 584 . . 145 ILE CA . 18007 1
685 . 1 1 62 62 ILE HA H 1 4.098 0.003 . 1 . 585 . . 145 ILE HA . 18007 1
686 . 1 1 62 62 ILE CB C 13 38.695 0.047 . 1 . 586 . . 145 ILE CB . 18007 1
687 . 1 1 62 62 ILE HB H 1 1.808 0.011 . 1 . 587 . . 145 ILE HB . 18007 1
688 . 1 1 62 62 ILE HG21 H 1 0.882 0.020 . 1 . 588 . . 145 ILE HG21 . 18007 1
689 . 1 1 62 62 ILE HG22 H 1 0.882 0.020 . 1 . 588 . . 145 ILE HG22 . 18007 1
690 . 1 1 62 62 ILE HG23 H 1 0.882 0.020 . 1 . 588 . . 145 ILE HG23 . 18007 1
691 . 1 1 62 62 ILE CG2 C 13 17.631 0.033 . 1 . 589 . . 145 ILE CG2 . 18007 1
692 . 1 1 62 62 ILE CG1 C 13 27.392 0.028 . 1 . 590 . . 145 ILE CG1 . 18007 1
693 . 1 1 62 62 ILE HG12 H 1 1.151 0.009 . 2 . 591 . . 145 ILE HG12 . 18007 1
694 . 1 1 62 62 ILE HG13 H 1 1.474 0.017 . 2 . 592 . . 145 ILE HG13 . 18007 1
695 . 1 1 62 62 ILE HD11 H 1 0.815 0.005 . 1 . 593 . . 145 ILE HD11 . 18007 1
696 . 1 1 62 62 ILE HD12 H 1 0.815 0.005 . 1 . 593 . . 145 ILE HD12 . 18007 1
697 . 1 1 62 62 ILE HD13 H 1 0.815 0.005 . 1 . 593 . . 145 ILE HD13 . 18007 1
698 . 1 1 62 62 ILE CD1 C 13 13.184 0.127 . 1 . 594 . . 145 ILE CD1 . 18007 1
699 . 1 1 63 63 CYS N N 15 124.184 0.097 . 1 . 595 . . 146 CYS N . 18007 1
700 . 1 1 63 63 CYS H H 1 8.395 0.006 . 1 . 596 . . 146 CYS H . 18007 1
701 . 1 1 63 63 CYS CA C 13 58.461 0.054 . 1 . 597 . . 146 CYS CA . 18007 1
702 . 1 1 63 63 CYS HA H 1 4.514 0.006 . 1 . 598 . . 146 CYS HA . 18007 1
703 . 1 1 63 63 CYS CB C 13 28.395 0.061 . 1 . 599 . . 146 CYS CB . 18007 1
704 . 1 1 63 63 CYS HB2 H 1 2.860 0.020 . 2 . 600 . . 146 CYS HB2 . 18007 1
705 . 1 1 63 63 CYS HB3 H 1 2.937 0.020 . 2 . 601 . . 146 CYS HB3 . 18007 1
706 . 1 1 64 64 GLU N N 15 128.613 0.016 . 1 . 602 . . 147 GLU N . 18007 1
707 . 1 1 64 64 GLU H H 1 8.076 0.005 . 1 . 603 . . 147 GLU H . 18007 1
708 . 1 1 64 64 GLU CA C 13 58.169 0.028 . 1 . 604 . . 147 GLU CA . 18007 1
709 . 1 1 64 64 GLU HA H 1 4.103 0.020 . 1 . 605 . . 147 GLU HA . 18007 1
710 . 1 1 64 64 GLU CB C 13 31.307 0.083 . 1 . 606 . . 147 GLU CB . 18007 1
711 . 1 1 64 64 GLU HB2 H 1 1.851 0.020 . 1 . 607 . . 147 GLU HB2 . 18007 1
712 . 1 1 64 64 GLU CG C 13 36.800 0.200 . 1 . 608 . . 147 GLU CG . 18007 1
713 . 1 1 64 64 GLU HG2 H 1 2.160 0.007 . 1 . 609 . . 147 GLU HG2 . 18007 1
714 . 1 1 64 64 GLU HB3 H 1 1.851 0.020 . 1 . 634 . . 147 GLU HB3 . 18007 1
715 . 1 1 64 64 GLU HG3 H 1 2.160 0.007 . 1 . 635 . . 147 GLU HG3 . 18007 1
716 . 2 2 1 1 DA2 HA H 1 3.743 0.020 . 1 . 610 . . 1148 DA2 HCA . 18007 1
717 . 2 2 1 1 DA2 HB2 H 1 1.863 0.004 . 1 . 611 . . 1148 DA2 HCB2 . 18007 1
718 . 2 2 1 1 DA2 HG2 H 1 1.634 0.029 . 1 . 612 . . 1148 DA2 HCG2 . 18007 1
719 . 2 2 1 1 DA2 HD2 H 1 3.152 0.012 . 1 . 613 . . 1148 DA2 HCD2 . 18007 1
720 . 2 2 1 1 DA2 HQ11 H 1 2.425 0.025 . 1 . 614 . . 1148 DA2 HC11 . 18007 1
721 . 2 2 1 1 DA2 HQ12 H 1 2.425 0.025 . 1 . 614 . . 1148 DA2 HC12 . 18007 1
722 . 2 2 1 1 DA2 HQ13 H 1 2.425 0.025 . 1 . 614 . . 1148 DA2 HC13 . 18007 1
723 . 2 2 1 1 DA2 HQ21 H 1 2.425 0.025 . 1 . 615 . . 1148 DA2 HC21 . 18007 1
724 . 2 2 1 1 DA2 HQ22 H 1 2.425 0.025 . 1 . 615 . . 1148 DA2 HC22 . 18007 1
725 . 2 2 1 1 DA2 HQ23 H 1 2.425 0.025 . 1 . 615 . . 1148 DA2 HC23 . 18007 1
726 . 2 2 1 1 DA2 HB3 H 1 1.863 0.004 . 1 . 636 . . 1148 DA2 HCB1 . 18007 1
727 . 2 2 1 1 DA2 HD3 H 1 3.152 0.012 . 1 . 637 . . 1148 DA2 HCD1 . 18007 1
728 . 2 2 1 1 DA2 HG3 H 1 1.634 0.029 . 1 . 638 . . 1148 DA2 HCG1 . 18007 1
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