###################################
# 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 25214
_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_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 nmrStar file /ebi/msd/pdb_root/Processing/prepare/4uzx/ebi/tho1.dep.data.csh'
_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 '1H-15N HSQC' 1 $sample_1 solution 25214 1
2 '1H-13C HSQC' 1 $sample_1 solution 25214 1
3 HNCACB 1 $sample_1 solution 25214 1
4 CBCA(CO)NH 1 $sample_1 solution 25214 1
5 HNCO 1 $sample_1 solution 25214 1
6 HN(CA)CO 1 $sample_1 solution 25214 1
7 HNHB 1 $sample_1 solution 25214 1
8 1H-NOESY 1 $sample_1 solution 25214 1
9 1H-DQF-COSY 1 $sample_1 solution 25214 1
10 1H-TOCSY 1 $sample_1 solution 25214 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
3 $CNS . . 25214 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY H H 1 8.554 0.01 . 1 . 2 . . 1 GLY H . 25214 1
2 . 1 1 1 1 GLY HA2 H 1 3.994 0.01 . 1 . 5 . . 1 GLY HA2 . 25214 1
3 . 1 1 1 1 GLY HA3 H 1 3.994 0.01 . 1 . 6 . . 1 GLY HA3 . 25214 1
4 . 1 1 1 1 GLY C C 13 174.530 0.10 . 1 . 4 . . 1 GLY C . 25214 1
5 . 1 1 1 1 GLY CA C 13 45.640 0.10 . 1 . 3 . . 1 GLY CA . 25214 1
6 . 1 1 1 1 GLY N N 15 108.520 0.10 . 1 . 1 . . 1 GLY N . 25214 1
7 . 1 1 2 2 SER H H 1 8.345 0.01 . 1 . 8 . . 2 SER H . 25214 1
8 . 1 1 2 2 SER HA H 1 4.430 0.01 . 1 . 10 . . 2 SER HA . 25214 1
9 . 1 1 2 2 SER HB2 H 1 3.815 0.01 . 1 . 13 . . 2 SER HB2 . 25214 1
10 . 1 1 2 2 SER HB3 H 1 3.815 0.01 . 1 . 14 . . 2 SER HB3 . 25214 1
11 . 1 1 2 2 SER C C 13 174.630 0.10 . 1 . 11 . . 2 SER C . 25214 1
12 . 1 1 2 2 SER CA C 13 58.700 0.10 . 1 . 9 . . 2 SER CA . 25214 1
13 . 1 1 2 2 SER CB C 13 64.480 0.10 . 1 . 12 . . 2 SER CB . 25214 1
14 . 1 1 2 2 SER N N 15 115.710 0.10 . 1 . 7 . . 2 SER N . 25214 1
15 . 1 1 3 3 ALA H H 1 8.369 0.01 . 1 . 16 . . 3 ALA H . 25214 1
16 . 1 1 3 3 ALA HA H 1 4.348 0.01 . 1 . 18 . . 3 ALA HA . 25214 1
17 . 1 1 3 3 ALA HB1 H 1 1.333 0.01 . 1 . 21 . . 3 ALA HB1 . 25214 1
18 . 1 1 3 3 ALA HB2 H 1 1.333 0.01 . 1 . 21 . . 3 ALA HB2 . 25214 1
19 . 1 1 3 3 ALA HB3 H 1 1.333 0.01 . 1 . 21 . . 3 ALA HB3 . 25214 1
20 . 1 1 3 3 ALA C C 13 178.040 0.10 . 1 . 19 . . 3 ALA C . 25214 1
21 . 1 1 3 3 ALA CA C 13 52.710 0.10 . 1 . 17 . . 3 ALA CA . 25214 1
22 . 1 1 3 3 ALA CB C 13 19.810 0.10 . 1 . 20 . . 3 ALA CB . 25214 1
23 . 1 1 3 3 ALA N N 15 126.240 0.10 . 1 . 15 . . 3 ALA N . 25214 1
24 . 1 1 4 4 LEU H H 1 8.168 0.01 . 1 . 23 . . 4 LEU H . 25214 1
25 . 1 1 4 4 LEU HA H 1 4.438 0.01 . 1 . 25 . . 4 LEU HA . 25214 1
26 . 1 1 4 4 LEU HB2 H 1 1.450 0.01 . 1 . 28 . . 4 LEU HB2 . 25214 1
27 . 1 1 4 4 LEU HB3 H 1 1.592 0.01 . 1 . 29 . . 4 LEU HB3 . 25214 1
28 . 1 1 4 4 LEU HG H 1 1.652 0.01 . 1 . 30 . . 4 LEU HG . 25214 1
29 . 1 1 4 4 LEU HD11 H 1 0.800 0.01 . 2 . 32 . . 4 LEU HD11 . 25214 1
30 . 1 1 4 4 LEU HD12 H 1 0.800 0.01 . 2 . 32 . . 4 LEU HD12 . 25214 1
31 . 1 1 4 4 LEU HD13 H 1 0.800 0.01 . 2 . 32 . . 4 LEU HD13 . 25214 1
32 . 1 1 4 4 LEU HD21 H 1 0.776 0.01 . 2 . 34 . . 4 LEU HD21 . 25214 1
33 . 1 1 4 4 LEU HD22 H 1 0.776 0.01 . 2 . 34 . . 4 LEU HD22 . 25214 1
34 . 1 1 4 4 LEU HD23 H 1 0.776 0.01 . 2 . 34 . . 4 LEU HD23 . 25214 1
35 . 1 1 4 4 LEU C C 13 177.410 0.10 . 1 . 26 . . 4 LEU C . 25214 1
36 . 1 1 4 4 LEU CA C 13 54.990 0.10 . 1 . 24 . . 4 LEU CA . 25214 1
37 . 1 1 4 4 LEU CB C 13 43.940 0.10 . 1 . 27 . . 4 LEU CB . 25214 1
38 . 1 1 4 4 LEU CD1 C 13 21.210 0.10 . 1 . 31 . . 4 LEU CD1 . 25214 1
39 . 1 1 4 4 LEU CD2 C 13 24.360 0.10 . 1 . 33 . . 4 LEU CD2 . 25214 1
40 . 1 1 4 4 LEU N N 15 121.470 0.10 . 1 . 22 . . 4 LEU N . 25214 1
41 . 1 1 5 5 SER H H 1 9.061 0.01 . 1 . 36 . . 5 SER H . 25214 1
42 . 1 1 5 5 SER HA H 1 4.737 0.01 . 1 . 38 . . 5 SER HA . 25214 1
43 . 1 1 5 5 SER HB2 H 1 4.003 0.01 . 2 . 41 . . 5 SER HB2 . 25214 1
44 . 1 1 5 5 SER HB3 H 1 4.394 0.01 . 2 . 42 . . 5 SER HB3 . 25214 1
45 . 1 1 5 5 SER C C 13 173.830 0.10 . 1 . 39 . . 5 SER C . 25214 1
46 . 1 1 5 5 SER CA C 13 56.940 0.10 . 1 . 37 . . 5 SER CA . 25214 1
47 . 1 1 5 5 SER CB C 13 63.710 0.10 . 1 . 40 . . 5 SER CB . 25214 1
48 . 1 1 5 5 SER N N 15 119.660 0.10 . 1 . 35 . . 5 SER N . 25214 1
49 . 1 1 6 6 PRO HA H 1 4.217 0.01 . 1 . 44 . . 6 PRO HA . 25214 1
50 . 1 1 6 6 PRO HB2 H 1 1.949 0.01 . 2 . 47 . . 6 PRO HB2 . 25214 1
51 . 1 1 6 6 PRO HB3 H 1 2.427 0.01 . 2 . 48 . . 6 PRO HB3 . 25214 1
52 . 1 1 6 6 PRO HG2 H 1 2.068 0.01 . 2 . 49 . . 6 PRO HG2 . 25214 1
53 . 1 1 6 6 PRO HG3 H 1 2.228 0.01 . 2 . 50 . . 6 PRO HG3 . 25214 1
54 . 1 1 6 6 PRO HD2 H 1 3.918 0.01 . 2 . 51 . . 6 PRO HD2 . 25214 1
55 . 1 1 6 6 PRO HD3 H 1 3.947 0.01 . 2 . 52 . . 6 PRO HD3 . 25214 1
56 . 1 1 6 6 PRO C C 13 180.240 0.10 . 1 . 45 . . 6 PRO C . 25214 1
57 . 1 1 6 6 PRO CA C 13 66.580 0.10 . 1 . 43 . . 6 PRO CA . 25214 1
58 . 1 1 6 6 PRO CB C 13 32.410 0.10 . 1 . 46 . . 6 PRO CB . 25214 1
59 . 1 1 7 7 GLU H H 1 8.717 0.01 . 1 . 54 . . 7 GLU H . 25214 1
60 . 1 1 7 7 GLU HA H 1 4.006 0.01 . 1 . 56 . . 7 GLU HA . 25214 1
61 . 1 1 7 7 GLU HB2 H 1 1.945 0.01 . 2 . 59 . . 7 GLU HB2 . 25214 1
62 . 1 1 7 7 GLU HB3 H 1 2.024 0.01 . 2 . 60 . . 7 GLU HB3 . 25214 1
63 . 1 1 7 7 GLU HG2 H 1 2.273 0.01 . 2 . 61 . . 7 GLU HG2 . 25214 1
64 . 1 1 7 7 GLU HG3 H 1 2.402 0.01 . 2 . 62 . . 7 GLU HG3 . 25214 1
65 . 1 1 7 7 GLU C C 13 180.000 0.10 . 1 . 57 . . 7 GLU C . 25214 1
66 . 1 1 7 7 GLU CA C 13 60.530 0.10 . 1 . 55 . . 7 GLU CA . 25214 1
67 . 1 1 7 7 GLU CB C 13 29.530 0.10 . 1 . 58 . . 7 GLU CB . 25214 1
68 . 1 1 7 7 GLU N N 15 117.380 0.10 . 1 . 53 . . 7 GLU N . 25214 1
69 . 1 1 8 8 GLU H H 1 7.902 0.01 . 1 . 64 . . 8 GLU H . 25214 1
70 . 1 1 8 8 GLU HA H 1 4.084 0.01 . 1 . 66 . . 8 GLU HA . 25214 1
71 . 1 1 8 8 GLU HB2 H 1 2.346 0.01 . 2 . 69 . . 8 GLU HB2 . 25214 1
72 . 1 1 8 8 GLU HB3 H 1 1.976 0.01 . 2 . 70 . . 8 GLU HB3 . 25214 1
73 . 1 1 8 8 GLU HG2 H 1 2.218 0.01 . 2 . 71 . . 8 GLU HG2 . 25214 1
74 . 1 1 8 8 GLU HG3 H 1 2.326 0.01 . 2 . 72 . . 8 GLU HG3 . 25214 1
75 . 1 1 8 8 GLU C C 13 180.350 0.10 . 1 . 67 . . 8 GLU C . 25214 1
76 . 1 1 8 8 GLU CA C 13 59.620 0.10 . 1 . 65 . . 8 GLU CA . 25214 1
77 . 1 1 8 8 GLU CB C 13 31.200 0.10 . 1 . 68 . . 8 GLU CB . 25214 1
78 . 1 1 8 8 GLU N N 15 122.280 0.10 . 1 . 63 . . 8 GLU N . 25214 1
79 . 1 1 9 9 ILE H H 1 8.422 0.01 . 1 . 74 . . 9 ILE H . 25214 1
80 . 1 1 9 9 ILE HA H 1 3.515 0.01 . 1 . 76 . . 9 ILE HA . 25214 1
81 . 1 1 9 9 ILE HB H 1 1.837 0.01 . 1 . 79 . . 9 ILE HB . 25214 1
82 . 1 1 9 9 ILE HG12 H 1 0.934 0.01 . 2 . 80 . . 9 ILE HG12 . 25214 1
83 . 1 1 9 9 ILE HG13 H 1 1.669 0.01 . 2 . 81 . . 9 ILE HG13 . 25214 1
84 . 1 1 9 9 ILE HG21 H 1 0.829 0.01 . 1 . 83 . . 9 ILE HG21 . 25214 1
85 . 1 1 9 9 ILE HG22 H 1 0.829 0.01 . 1 . 83 . . 9 ILE HG22 . 25214 1
86 . 1 1 9 9 ILE HG23 H 1 0.829 0.01 . 1 . 83 . . 9 ILE HG23 . 25214 1
87 . 1 1 9 9 ILE HD11 H 1 0.778 0.01 . 1 . 85 . . 9 ILE HD11 . 25214 1
88 . 1 1 9 9 ILE HD12 H 1 0.778 0.01 . 1 . 85 . . 9 ILE HD12 . 25214 1
89 . 1 1 9 9 ILE HD13 H 1 0.778 0.01 . 1 . 85 . . 9 ILE HD13 . 25214 1
90 . 1 1 9 9 ILE C C 13 177.590 0.10 . 1 . 77 . . 9 ILE C . 25214 1
91 . 1 1 9 9 ILE CA C 13 66.120 0.10 . 1 . 75 . . 9 ILE CA . 25214 1
92 . 1 1 9 9 ILE CB C 13 38.440 0.10 . 1 . 78 . . 9 ILE CB . 25214 1
93 . 1 1 9 9 ILE CG2 C 13 15.870 0.10 . 1 . 82 . . 9 ILE CG2 . 25214 1
94 . 1 1 9 9 ILE CD1 C 13 11.530 0.10 . 1 . 84 . . 9 ILE CD1 . 25214 1
95 . 1 1 9 9 ILE N N 15 121.190 0.10 . 1 . 73 . . 9 ILE N . 25214 1
96 . 1 1 10 10 LYS H H 1 7.924 0.01 . 1 . 87 . . 10 LYS H . 25214 1
97 . 1 1 10 10 LYS HA H 1 3.605 0.01 . 1 . 89 . . 10 LYS HA . 25214 1
98 . 1 1 10 10 LYS HB2 H 1 1.899 0.01 . 1 . 92 . . 10 LYS HB2 . 25214 1
99 . 1 1 10 10 LYS HB3 H 1 1.899 0.01 . 1 . 93 . . 10 LYS HB3 . 25214 1
100 . 1 1 10 10 LYS HG2 H 1 1.188 0.01 . 2 . 94 . . 10 LYS HG2 . 25214 1
101 . 1 1 10 10 LYS HG3 H 1 1.315 0.01 . 2 . 95 . . 10 LYS HG3 . 25214 1
102 . 1 1 10 10 LYS HD2 H 1 1.682 0.01 . 1 . 96 . . 10 LYS HD2 . 25214 1
103 . 1 1 10 10 LYS HD3 H 1 1.682 0.01 . 1 . 97 . . 10 LYS HD3 . 25214 1
104 . 1 1 10 10 LYS HE2 H 1 3.090 0.01 . 2 . 98 . . 10 LYS HE2 . 25214 1
105 . 1 1 10 10 LYS HE3 H 1 2.892 0.01 . 2 . 99 . . 10 LYS HE3 . 25214 1
106 . 1 1 10 10 LYS C C 13 177.800 0.10 . 1 . 90 . . 10 LYS C . 25214 1
107 . 1 1 10 10 LYS CA C 13 60.910 0.10 . 1 . 88 . . 10 LYS CA . 25214 1
108 . 1 1 10 10 LYS CB C 13 32.960 0.10 . 1 . 91 . . 10 LYS CB . 25214 1
109 . 1 1 10 10 LYS N N 15 120.120 0.10 . 1 . 86 . . 10 LYS N . 25214 1
110 . 1 1 11 11 ALA H H 1 7.700 0.01 . 1 . 101 . . 11 ALA H . 25214 1
111 . 1 1 11 11 ALA HA H 1 4.022 0.01 . 1 . 103 . . 11 ALA HA . 25214 1
112 . 1 1 11 11 ALA HB1 H 1 1.459 0.01 . 1 . 106 . . 11 ALA HB1 . 25214 1
113 . 1 1 11 11 ALA HB2 H 1 1.459 0.01 . 1 . 106 . . 11 ALA HB2 . 25214 1
114 . 1 1 11 11 ALA HB3 H 1 1.459 0.01 . 1 . 106 . . 11 ALA HB3 . 25214 1
115 . 1 1 11 11 ALA C C 13 181.400 0.10 . 1 . 104 . . 11 ALA C . 25214 1
116 . 1 1 11 11 ALA CA C 13 55.800 0.10 . 1 . 102 . . 11 ALA CA . 25214 1
117 . 1 1 11 11 ALA CB C 13 18.620 0.10 . 1 . 105 . . 11 ALA CB . 25214 1
118 . 1 1 11 11 ALA N N 15 119.070 0.10 . 1 . 100 . . 11 ALA N . 25214 1
119 . 1 1 12 12 LYS H H 1 8.050 0.01 . 1 . 108 . . 12 LYS H . 25214 1
120 . 1 1 12 12 LYS HA H 1 4.080 0.01 . 1 . 110 . . 12 LYS HA . 25214 1
121 . 1 1 12 12 LYS HB2 H 1 1.914 0.01 . 2 . 113 . . 12 LYS HB2 . 25214 1
122 . 1 1 12 12 LYS HB3 H 1 1.819 0.01 . 2 . 114 . . 12 LYS HB3 . 25214 1
123 . 1 1 12 12 LYS HG2 H 1 1.602 0.01 . 2 . 115 . . 12 LYS HG2 . 25214 1
124 . 1 1 12 12 LYS HG3 H 1 1.428 0.01 . 2 . 116 . . 12 LYS HG3 . 25214 1
125 . 1 1 12 12 LYS HD2 H 1 1.623 0.01 . 1 . 117 . . 12 LYS HD2 . 25214 1
126 . 1 1 12 12 LYS HD3 H 1 1.623 0.01 . 1 . 118 . . 12 LYS HD3 . 25214 1
127 . 1 1 12 12 LYS HE2 H 1 2.946 0.01 . 2 . 119 . . 12 LYS HE2 . 25214 1
128 . 1 1 12 12 LYS HE3 H 1 2.908 0.01 . 2 . 120 . . 12 LYS HE3 . 25214 1
129 . 1 1 12 12 LYS C C 13 179.910 0.10 . 1 . 111 . . 12 LYS C . 25214 1
130 . 1 1 12 12 LYS CA C 13 59.780 0.10 . 1 . 109 . . 12 LYS CA . 25214 1
131 . 1 1 12 12 LYS CB C 13 33.320 0.10 . 1 . 112 . . 12 LYS CB . 25214 1
132 . 1 1 12 12 LYS N N 15 119.120 0.10 . 1 . 107 . . 12 LYS N . 25214 1
133 . 1 1 13 13 ALA H H 1 8.587 0.01 . 1 . 122 . . 13 ALA H . 25214 1
134 . 1 1 13 13 ALA HA H 1 3.960 0.01 . 1 . 124 . . 13 ALA HA . 25214 1
135 . 1 1 13 13 ALA HB1 H 1 1.379 0.01 . 1 . 127 . . 13 ALA HB1 . 25214 1
136 . 1 1 13 13 ALA HB2 H 1 1.379 0.01 . 1 . 127 . . 13 ALA HB2 . 25214 1
137 . 1 1 13 13 ALA HB3 H 1 1.379 0.01 . 1 . 127 . . 13 ALA HB3 . 25214 1
138 . 1 1 13 13 ALA C C 13 179.530 0.10 . 1 . 125 . . 13 ALA C . 25214 1
139 . 1 1 13 13 ALA CA C 13 55.810 0.10 . 1 . 123 . . 13 ALA CA . 25214 1
140 . 1 1 13 13 ALA CB C 13 20.290 0.10 . 1 . 126 . . 13 ALA CB . 25214 1
141 . 1 1 13 13 ALA N N 15 122.100 0.10 . 1 . 121 . . 13 ALA N . 25214 1
142 . 1 1 14 14 LEU H H 1 8.555 0.01 . 1 . 129 . . 14 LEU H . 25214 1
143 . 1 1 14 14 LEU HA H 1 3.963 0.01 . 1 . 131 . . 14 LEU HA . 25214 1
144 . 1 1 14 14 LEU HB2 H 1 1.397 0.01 . 1 . 134 . . 14 LEU HB2 . 25214 1
145 . 1 1 14 14 LEU HB3 H 1 1.831 0.01 . 1 . 135 . . 14 LEU HB3 . 25214 1
146 . 1 1 14 14 LEU HG H 1 1.756 0.01 . 1 . 136 . . 14 LEU HG . 25214 1
147 . 1 1 14 14 LEU HD11 H 1 0.826 0.01 . 2 . 137 . . 14 LEU HD11 . 25214 1
148 . 1 1 14 14 LEU HD12 H 1 0.826 0.01 . 2 . 137 . . 14 LEU HD12 . 25214 1
149 . 1 1 14 14 LEU HD13 H 1 0.826 0.01 . 2 . 137 . . 14 LEU HD13 . 25214 1
150 . 1 1 14 14 LEU HD21 H 1 0.863 0.01 . 2 . 138 . . 14 LEU HD21 . 25214 1
151 . 1 1 14 14 LEU HD22 H 1 0.863 0.01 . 2 . 138 . . 14 LEU HD22 . 25214 1
152 . 1 1 14 14 LEU HD23 H 1 0.863 0.01 . 2 . 138 . . 14 LEU HD23 . 25214 1
153 . 1 1 14 14 LEU C C 13 179.980 0.10 . 1 . 132 . . 14 LEU C . 25214 1
154 . 1 1 14 14 LEU CA C 13 58.680 0.10 . 1 . 130 . . 14 LEU CA . 25214 1
155 . 1 1 14 14 LEU CB C 13 41.470 0.10 . 1 . 133 . . 14 LEU CB . 25214 1
156 . 1 1 14 14 LEU N N 15 117.020 0.10 . 1 . 128 . . 14 LEU N . 25214 1
157 . 1 1 15 15 ASP H H 1 8.005 0.01 . 1 . 140 . . 15 ASP H . 25214 1
158 . 1 1 15 15 ASP HA H 1 4.420 0.01 . 1 . 142 . . 15 ASP HA . 25214 1
159 . 1 1 15 15 ASP HB2 H 1 2.742 0.01 . 1 . 145 . . 15 ASP HB2 . 25214 1
160 . 1 1 15 15 ASP HB3 H 1 2.742 0.01 . 1 . 146 . . 15 ASP HB3 . 25214 1
161 . 1 1 15 15 ASP C C 13 178.830 0.10 . 1 . 143 . . 15 ASP C . 25214 1
162 . 1 1 15 15 ASP CA C 13 58.300 0.10 . 1 . 141 . . 15 ASP CA . 25214 1
163 . 1 1 15 15 ASP CB C 13 41.990 0.10 . 1 . 144 . . 15 ASP CB . 25214 1
164 . 1 1 15 15 ASP N N 15 120.590 0.10 . 1 . 139 . . 15 ASP N . 25214 1
165 . 1 1 16 16 LEU H H 1 7.755 0.01 . 1 . 148 . . 16 LEU H . 25214 1
166 . 1 1 16 16 LEU HA H 1 4.053 0.01 . 1 . 150 . . 16 LEU HA . 25214 1
167 . 1 1 16 16 LEU HB2 H 1 1.744 0.01 . 2 . 153 . . 16 LEU HB2 . 25214 1
168 . 1 1 16 16 LEU HB3 H 1 1.792 0.01 . 2 . 154 . . 16 LEU HB3 . 25214 1
169 . 1 1 16 16 LEU HG H 1 1.575 0.01 . 1 . 155 . . 16 LEU HG . 25214 1
170 . 1 1 16 16 LEU HD11 H 1 0.913 0.01 . 2 . 157 . . 16 LEU HD11 . 25214 1
171 . 1 1 16 16 LEU HD12 H 1 0.913 0.01 . 2 . 157 . . 16 LEU HD12 . 25214 1
172 . 1 1 16 16 LEU HD13 H 1 0.913 0.01 . 2 . 157 . . 16 LEU HD13 . 25214 1
173 . 1 1 16 16 LEU HD21 H 1 0.823 0.01 . 2 . 159 . . 16 LEU HD21 . 25214 1
174 . 1 1 16 16 LEU HD22 H 1 0.823 0.01 . 2 . 159 . . 16 LEU HD22 . 25214 1
175 . 1 1 16 16 LEU HD23 H 1 0.823 0.01 . 2 . 159 . . 16 LEU HD23 . 25214 1
176 . 1 1 16 16 LEU C C 13 180.610 0.10 . 1 . 151 . . 16 LEU C . 25214 1
177 . 1 1 16 16 LEU CA C 13 58.850 0.10 . 1 . 149 . . 16 LEU CA . 25214 1
178 . 1 1 16 16 LEU CB C 13 42.770 0.10 . 1 . 152 . . 16 LEU CB . 25214 1
179 . 1 1 16 16 LEU CD1 C 13 22.640 0.10 . 1 . 156 . . 16 LEU CD1 . 25214 1
180 . 1 1 16 16 LEU CD2 C 13 22.700 0.10 . 1 . 158 . . 16 LEU CD2 . 25214 1
181 . 1 1 16 16 LEU N N 15 119.430 0.10 . 1 . 147 . . 16 LEU N . 25214 1
182 . 1 1 17 17 LEU H H 1 8.756 0.01 . 1 . 161 . . 17 LEU H . 25214 1
183 . 1 1 17 17 LEU HA H 1 3.867 0.01 . 1 . 163 . . 17 LEU HA . 25214 1
184 . 1 1 17 17 LEU HB2 H 1 1.348 0.01 . 1 . 166 . . 17 LEU HB2 . 25214 1
185 . 1 1 17 17 LEU HB3 H 1 1.818 0.01 . 1 . 167 . . 17 LEU HB3 . 25214 1
186 . 1 1 17 17 LEU HG H 1 1.836 0.01 . 1 . 168 . . 17 LEU HG . 25214 1
187 . 1 1 17 17 LEU HD11 H 1 0.702 0.01 . 2 . 170 . . 17 LEU HD11 . 25214 1
188 . 1 1 17 17 LEU HD12 H 1 0.702 0.01 . 2 . 170 . . 17 LEU HD12 . 25214 1
189 . 1 1 17 17 LEU HD13 H 1 0.702 0.01 . 2 . 170 . . 17 LEU HD13 . 25214 1
190 . 1 1 17 17 LEU HD21 H 1 0.805 0.01 . 2 . 172 . . 17 LEU HD21 . 25214 1
191 . 1 1 17 17 LEU HD22 H 1 0.805 0.01 . 2 . 172 . . 17 LEU HD22 . 25214 1
192 . 1 1 17 17 LEU HD23 H 1 0.805 0.01 . 2 . 172 . . 17 LEU HD23 . 25214 1
193 . 1 1 17 17 LEU C C 13 179.580 0.10 . 1 . 164 . . 17 LEU C . 25214 1
194 . 1 1 17 17 LEU CA C 13 58.730 0.10 . 1 . 162 . . 17 LEU CA . 25214 1
195 . 1 1 17 17 LEU CB C 13 43.320 0.10 . 1 . 165 . . 17 LEU CB . 25214 1
196 . 1 1 17 17 LEU CD1 C 13 23.870 0.10 . 1 . 169 . . 17 LEU CD1 . 25214 1
197 . 1 1 17 17 LEU CD2 C 13 21.100 0.10 . 1 . 171 . . 17 LEU CD2 . 25214 1
198 . 1 1 17 17 LEU N N 15 118.860 0.10 . 1 . 160 . . 17 LEU N . 25214 1
199 . 1 1 18 18 ASN H H 1 8.669 0.01 . 1 . 174 . . 18 ASN H . 25214 1
200 . 1 1 18 18 ASN HA H 1 4.393 0.01 . 1 . 176 . . 18 ASN HA . 25214 1
201 . 1 1 18 18 ASN HB2 H 1 2.524 0.01 . 1 . 179 . . 18 ASN HB2 . 25214 1
202 . 1 1 18 18 ASN HB3 H 1 3.009 0.01 . 1 . 180 . . 18 ASN HB3 . 25214 1
203 . 1 1 18 18 ASN HD21 H 1 6.921 0.01 . 1 . 181 . . 18 ASN HD21 . 25214 1
204 . 1 1 18 18 ASN HD22 H 1 7.422 0.01 . 1 . 182 . . 18 ASN HD22 . 25214 1
205 . 1 1 18 18 ASN C C 13 179.160 0.10 . 1 . 177 . . 18 ASN C . 25214 1
206 . 1 1 18 18 ASN CA C 13 57.660 0.10 . 1 . 175 . . 18 ASN CA . 25214 1
207 . 1 1 18 18 ASN CB C 13 39.070 0.10 . 1 . 178 . . 18 ASN CB . 25214 1
208 . 1 1 18 18 ASN N N 15 117.600 0.10 . 1 . 173 . . 18 ASN N . 25214 1
209 . 1 1 19 19 LYS H H 1 7.993 0.01 . 1 . 184 . . 19 LYS H . 25214 1
210 . 1 1 19 19 LYS HA H 1 4.081 0.01 . 1 . 186 . . 19 LYS HA . 25214 1
211 . 1 1 19 19 LYS HB2 H 1 2.009 0.01 . 2 . 189 . . 19 LYS HB2 . 25214 1
212 . 1 1 19 19 LYS HB3 H 1 1.908 0.01 . 2 . 190 . . 19 LYS HB3 . 25214 1
213 . 1 1 19 19 LYS HG2 H 1 1.569 0.01 . 2 . 191 . . 19 LYS HG2 . 25214 1
214 . 1 1 19 19 LYS HG3 H 1 1.386 0.01 . 2 . 192 . . 19 LYS HG3 . 25214 1
215 . 1 1 19 19 LYS HD2 H 1 1.631 0.01 . 1 . 193 . . 19 LYS HD2 . 25214 1
216 . 1 1 19 19 LYS HE2 H 1 2.925 0.01 . 1 . 194 . . 19 LYS HE2 . 25214 1
217 . 1 1 19 19 LYS HE3 H 1 2.925 0.01 . 1 . 195 . . 19 LYS HE3 . 25214 1
218 . 1 1 19 19 LYS C C 13 180.580 0.10 . 1 . 187 . . 19 LYS C . 25214 1
219 . 1 1 19 19 LYS CA C 13 60.810 0.10 . 1 . 185 . . 19 LYS CA . 25214 1
220 . 1 1 19 19 LYS CB C 13 32.750 0.10 . 1 . 188 . . 19 LYS CB . 25214 1
221 . 1 1 19 19 LYS N N 15 121.770 0.10 . 1 . 183 . . 19 LYS N . 25214 1
222 . 1 1 20 20 LYS H H 1 8.058 0.01 . 1 . 197 . . 20 LYS H . 25214 1
223 . 1 1 20 20 LYS HA H 1 3.957 0.01 . 1 . 199 . . 20 LYS HA . 25214 1
224 . 1 1 20 20 LYS HB2 H 1 1.823 0.01 . 2 . 202 . . 20 LYS HB2 . 25214 1
225 . 1 1 20 20 LYS HB3 H 1 2.069 0.01 . 2 . 203 . . 20 LYS HB3 . 25214 1
226 . 1 1 20 20 LYS HG2 H 1 1.404 0.01 . 1 . 204 . . 20 LYS HG2 . 25214 1
227 . 1 1 20 20 LYS HG3 H 1 1.404 0.01 . 1 . 205 . . 20 LYS HG3 . 25214 1
228 . 1 1 20 20 LYS HD2 H 1 1.638 0.01 . 2 . 206 . . 20 LYS HD2 . 25214 1
229 . 1 1 20 20 LYS HD3 H 1 1.569 0.01 . 2 . 207 . . 20 LYS HD3 . 25214 1
230 . 1 1 20 20 LYS HE2 H 1 2.801 0.01 . 1 . 208 . . 20 LYS HE2 . 25214 1
231 . 1 1 20 20 LYS HE3 H 1 2.801 0.01 . 1 . 209 . . 20 LYS HE3 . 25214 1
232 . 1 1 20 20 LYS C C 13 180.130 0.10 . 1 . 200 . . 20 LYS C . 25214 1
233 . 1 1 20 20 LYS CA C 13 60.750 0.10 . 1 . 198 . . 20 LYS CA . 25214 1
234 . 1 1 20 20 LYS CB C 13 33.710 0.10 . 1 . 201 . . 20 LYS CB . 25214 1
235 . 1 1 20 20 LYS N N 15 120.230 0.10 . 1 . 196 . . 20 LYS N . 25214 1
236 . 1 1 21 21 LEU H H 1 8.613 0.01 . 1 . 211 . . 21 LEU H . 25214 1
237 . 1 1 21 21 LEU HA H 1 3.979 0.01 . 1 . 213 . . 21 LEU HA . 25214 1
238 . 1 1 21 21 LEU HB2 H 1 1.976 0.01 . 1 . 216 . . 21 LEU HB2 . 25214 1
239 . 1 1 21 21 LEU HB3 H 1 1.403 0.01 . 1 . 217 . . 21 LEU HB3 . 25214 1
240 . 1 1 21 21 LEU HG H 1 1.501 0.01 . 1 . 218 . . 21 LEU HG . 25214 1
241 . 1 1 21 21 LEU HD11 H 1 0.923 0.01 . 2 . 220 . . 21 LEU HD11 . 25214 1
242 . 1 1 21 21 LEU HD12 H 1 0.923 0.01 . 2 . 220 . . 21 LEU HD12 . 25214 1
243 . 1 1 21 21 LEU HD13 H 1 0.923 0.01 . 2 . 220 . . 21 LEU HD13 . 25214 1
244 . 1 1 21 21 LEU HD21 H 1 0.828 0.01 . 2 . 222 . . 21 LEU HD21 . 25214 1
245 . 1 1 21 21 LEU HD22 H 1 0.828 0.01 . 2 . 222 . . 21 LEU HD22 . 25214 1
246 . 1 1 21 21 LEU HD23 H 1 0.828 0.01 . 2 . 222 . . 21 LEU HD23 . 25214 1
247 . 1 1 21 21 LEU C C 13 178.500 0.10 . 1 . 214 . . 21 LEU C . 25214 1
248 . 1 1 21 21 LEU CA C 13 58.600 0.10 . 1 . 212 . . 21 LEU CA . 25214 1
249 . 1 1 21 21 LEU CB C 13 42.520 0.10 . 1 . 215 . . 21 LEU CB . 25214 1
250 . 1 1 21 21 LEU CD1 C 13 22.700 0.10 . 1 . 219 . . 21 LEU CD1 . 25214 1
251 . 1 1 21 21 LEU CD2 C 13 24.290 0.10 . 1 . 221 . . 21 LEU CD2 . 25214 1
252 . 1 1 21 21 LEU N N 15 122.930 0.10 . 1 . 210 . . 21 LEU N . 25214 1
253 . 1 1 22 22 HIS H H 1 8.336 0.01 . 1 . 224 . . 22 HIS H . 25214 1
254 . 1 1 22 22 HIS HA H 1 4.402 0.01 . 1 . 226 . . 22 HIS HA . 25214 1
255 . 1 1 22 22 HIS HB2 H 1 3.242 0.01 . 1 . 229 . . 22 HIS HB2 . 25214 1
256 . 1 1 22 22 HIS HB3 H 1 3.242 0.01 . 1 . 230 . . 22 HIS HB3 . 25214 1
257 . 1 1 22 22 HIS HD2 H 1 7.091 0.01 . 1 . 231 . . 22 HIS HD2 . 25214 1
258 . 1 1 22 22 HIS HE1 H 1 8.059 0.01 . 1 . 232 . . 22 HIS HE1 . 25214 1
259 . 1 1 22 22 HIS C C 13 178.420 0.10 . 1 . 227 . . 22 HIS C . 25214 1
260 . 1 1 22 22 HIS CA C 13 59.700 0.10 . 1 . 225 . . 22 HIS CA . 25214 1
261 . 1 1 22 22 HIS CB C 13 29.890 0.10 . 1 . 228 . . 22 HIS CB . 25214 1
262 . 1 1 22 22 HIS N N 15 118.420 0.10 . 1 . 223 . . 22 HIS N . 25214 1
263 . 1 1 23 23 ARG H H 1 7.817 0.01 . 1 . 234 . . 23 ARG H . 25214 1
264 . 1 1 23 23 ARG HA H 1 3.994 0.01 . 1 . 236 . . 23 ARG HA . 25214 1
265 . 1 1 23 23 ARG HB2 H 1 1.927 0.01 . 1 . 239 . . 23 ARG HB2 . 25214 1
266 . 1 1 23 23 ARG HB3 H 1 1.927 0.01 . 1 . 240 . . 23 ARG HB3 . 25214 1
267 . 1 1 23 23 ARG HG2 H 1 1.799 0.01 . 2 . 241 . . 23 ARG HG2 . 25214 1
268 . 1 1 23 23 ARG HG3 H 1 1.655 0.01 . 2 . 242 . . 23 ARG HG3 . 25214 1
269 . 1 1 23 23 ARG HD2 H 1 3.163 0.01 . 1 . 243 . . 23 ARG HD2 . 25214 1
270 . 1 1 23 23 ARG HD3 H 1 3.163 0.01 . 1 . 244 . . 23 ARG HD3 . 25214 1
271 . 1 1 23 23 ARG HE H 1 7.265 0.01 . 1 . 245 . . 23 ARG HE . 25214 1
272 . 1 1 23 23 ARG C C 13 178.050 0.10 . 1 . 237 . . 23 ARG C . 25214 1
273 . 1 1 23 23 ARG CA C 13 59.870 0.10 . 1 . 235 . . 23 ARG CA . 25214 1
274 . 1 1 23 23 ARG CB C 13 30.750 0.10 . 1 . 238 . . 23 ARG CB . 25214 1
275 . 1 1 23 23 ARG N N 15 118.900 0.10 . 1 . 233 . . 23 ARG N . 25214 1
276 . 1 1 24 24 ALA H H 1 8.149 0.01 . 1 . 247 . . 24 ALA H . 25214 1
277 . 1 1 24 24 ALA HA H 1 4.149 0.01 . 1 . 249 . . 24 ALA HA . 25214 1
278 . 1 1 24 24 ALA HB1 H 1 1.328 0.01 . 1 . 252 . . 24 ALA HB1 . 25214 1
279 . 1 1 24 24 ALA HB2 H 1 1.328 0.01 . 1 . 252 . . 24 ALA HB2 . 25214 1
280 . 1 1 24 24 ALA HB3 H 1 1.328 0.01 . 1 . 252 . . 24 ALA HB3 . 25214 1
281 . 1 1 24 24 ALA C C 13 180.030 0.10 . 1 . 250 . . 24 ALA C . 25214 1
282 . 1 1 24 24 ALA CA C 13 55.250 0.10 . 1 . 248 . . 24 ALA CA . 25214 1
283 . 1 1 24 24 ALA CB C 13 19.150 0.10 . 1 . 251 . . 24 ALA CB . 25214 1
284 . 1 1 24 24 ALA N N 15 121.930 0.10 . 1 . 246 . . 24 ALA N . 25214 1
285 . 1 1 25 25 ASN H H 1 8.167 0.01 . 1 . 254 . . 25 ASN H . 25214 1
286 . 1 1 25 25 ASN HA H 1 4.407 0.01 . 1 . 256 . . 25 ASN HA . 25214 1
287 . 1 1 25 25 ASN HB2 H 1 2.670 0.01 . 2 . 259 . . 25 ASN HB2 . 25214 1
288 . 1 1 25 25 ASN HB3 H 1 2.756 0.01 . 2 . 260 . . 25 ASN HB3 . 25214 1
289 . 1 1 25 25 ASN HD21 H 1 6.769 0.01 . 1 . 261 . . 25 ASN HD21 . 25214 1
290 . 1 1 25 25 ASN HD22 H 1 7.343 0.01 . 1 . 262 . . 25 ASN HD22 . 25214 1
291 . 1 1 25 25 ASN C C 13 177.790 0.10 . 1 . 257 . . 25 ASN C . 25214 1
292 . 1 1 25 25 ASN CA C 13 55.920 0.10 . 1 . 255 . . 25 ASN CA . 25214 1
293 . 1 1 25 25 ASN CB C 13 39.720 0.10 . 1 . 258 . . 25 ASN CB . 25214 1
294 . 1 1 25 25 ASN N N 15 115.330 0.10 . 1 . 253 . . 25 ASN N . 25214 1
295 . 1 1 26 26 LYS H H 1 8.013 0.01 . 1 . 264 . . 26 LYS H . 25214 1
296 . 1 1 26 26 LYS HA H 1 3.937 0.01 . 1 . 266 . . 26 LYS HA . 25214 1
297 . 1 1 26 26 LYS HB2 H 1 1.534 0.01 . 1 . 269 . . 26 LYS HB2 . 25214 1
298 . 1 1 26 26 LYS HB3 H 1 1.534 0.01 . 1 . 270 . . 26 LYS HB3 . 25214 1
299 . 1 1 26 26 LYS HG2 H 1 1.073 0.01 . 2 . 271 . . 26 LYS HG2 . 25214 1
300 . 1 1 26 26 LYS HG3 H 1 0.831 0.01 . 2 . 272 . . 26 LYS HG3 . 25214 1
301 . 1 1 26 26 LYS HD2 H 1 1.459 0.01 . 2 . 273 . . 26 LYS HD2 . 25214 1
302 . 1 1 26 26 LYS HD3 H 1 1.383 0.01 . 2 . 274 . . 26 LYS HD3 . 25214 1
303 . 1 1 26 26 LYS HE2 H 1 2.782 0.01 . 1 . 275 . . 26 LYS HE2 . 25214 1
304 . 1 1 26 26 LYS HE3 H 1 2.782 0.01 . 1 . 276 . . 26 LYS HE3 . 25214 1
305 . 1 1 26 26 LYS C C 13 178.260 0.10 . 1 . 267 . . 26 LYS C . 25214 1
306 . 1 1 26 26 LYS CA C 13 58.720 0.10 . 1 . 265 . . 26 LYS CA . 25214 1
307 . 1 1 26 26 LYS CB C 13 33.020 0.10 . 1 . 268 . . 26 LYS CB . 25214 1
308 . 1 1 26 26 LYS N N 15 120.800 0.10 . 1 . 263 . . 26 LYS N . 25214 1
309 . 1 1 27 27 PHE H H 1 8.200 0.01 . 1 . 278 . . 27 PHE H . 25214 1
310 . 1 1 27 27 PHE HA H 1 4.614 0.01 . 1 . 280 . . 27 PHE HA . 25214 1
311 . 1 1 27 27 PHE HB2 H 1 3.250 0.01 . 1 . 283 . . 27 PHE HB2 . 25214 1
312 . 1 1 27 27 PHE HB3 H 1 3.000 0.01 . 1 . 284 . . 27 PHE HB3 . 25214 1
313 . 1 1 27 27 PHE HD1 H 1 7.345 0.01 . 1 . 286 . . 27 PHE HD1 . 25214 1
314 . 1 1 27 27 PHE HD2 H 1 7.345 0.01 . 1 . 287 . . 27 PHE HD2 . 25214 1
315 . 1 1 27 27 PHE HE1 H 1 7.314 0.01 . 1 . 288 . . 27 PHE HE1 . 25214 1
316 . 1 1 27 27 PHE HE2 H 1 7.314 0.01 . 1 . 289 . . 27 PHE HE2 . 25214 1
317 . 1 1 27 27 PHE HZ H 1 7.266 0.01 . 1 . 285 . . 27 PHE HZ . 25214 1
318 . 1 1 27 27 PHE C C 13 177.220 0.10 . 1 . 281 . . 27 PHE C . 25214 1
319 . 1 1 27 27 PHE CA C 13 58.440 0.10 . 1 . 279 . . 27 PHE CA . 25214 1
320 . 1 1 27 27 PHE CB C 13 39.200 0.10 . 1 . 282 . . 27 PHE CB . 25214 1
321 . 1 1 27 27 PHE N N 15 115.850 0.10 . 1 . 277 . . 27 PHE N . 25214 1
322 . 1 1 28 28 GLY H H 1 7.848 0.01 . 1 . 291 . . 28 GLY H . 25214 1
323 . 1 1 28 28 GLY HA2 H 1 3.916 0.01 . 2 . 293 . . 28 GLY HA2 . 25214 1
324 . 1 1 28 28 GLY HA3 H 1 3.884 0.01 . 2 . 294 . . 28 GLY HA3 . 25214 1
325 . 1 1 28 28 GLY C C 13 175.610 0.10 . 1 . 295 . . 28 GLY C . 25214 1
326 . 1 1 28 28 GLY CA C 13 47.340 0.10 . 1 . 292 . . 28 GLY CA . 25214 1
327 . 1 1 28 28 GLY N N 15 109.240 0.10 . 1 . 290 . . 28 GLY N . 25214 1
328 . 1 1 29 29 GLN H H 1 8.012 0.01 . 1 . 297 . . 29 GLN H . 25214 1
329 . 1 1 29 29 GLN HA H 1 4.186 0.01 . 1 . 299 . . 29 GLN HA . 25214 1
330 . 1 1 29 29 GLN HB2 H 1 2.219 0.01 . 2 . 302 . . 29 GLN HB2 . 25214 1
331 . 1 1 29 29 GLN HB3 H 1 1.839 0.01 . 2 . 303 . . 29 GLN HB3 . 25214 1
332 . 1 1 29 29 GLN HG2 H 1 2.404 0.01 . 2 . 304 . . 29 GLN HG2 . 25214 1
333 . 1 1 29 29 GLN HG3 H 1 2.321 0.01 . 2 . 305 . . 29 GLN HG3 . 25214 1
334 . 1 1 29 29 GLN HE21 H 1 6.729 0.01 . 1 . 306 . . 29 GLN HE21 . 25214 1
335 . 1 1 29 29 GLN HE22 H 1 7.721 0.01 . 1 . 307 . . 29 GLN HE22 . 25214 1
336 . 1 1 29 29 GLN C C 13 175.180 0.10 . 1 . 300 . . 29 GLN C . 25214 1
337 . 1 1 29 29 GLN CA C 13 56.930 0.10 . 1 . 298 . . 29 GLN CA . 25214 1
338 . 1 1 29 29 GLN CB C 13 30.090 0.10 . 1 . 301 . . 29 GLN CB . 25214 1
339 . 1 1 29 29 GLN N N 15 117.520 0.10 . 1 . 296 . . 29 GLN N . 25214 1
340 . 1 1 30 30 ASP H H 1 8.440 0.01 . 1 . 309 . . 30 ASP H . 25214 1
341 . 1 1 30 30 ASP HA H 1 4.489 0.01 . 1 . 311 . . 30 ASP HA . 25214 1
342 . 1 1 30 30 ASP HB2 H 1 2.615 0.01 . 2 . 314 . . 30 ASP HB2 . 25214 1
343 . 1 1 30 30 ASP HB3 H 1 2.791 0.01 . 2 . 315 . . 30 ASP HB3 . 25214 1
344 . 1 1 30 30 ASP C C 13 177.260 0.10 . 1 . 312 . . 30 ASP C . 25214 1
345 . 1 1 30 30 ASP CA C 13 54.770 0.10 . 1 . 310 . . 30 ASP CA . 25214 1
346 . 1 1 30 30 ASP CB C 13 42.470 0.10 . 1 . 313 . . 30 ASP CB . 25214 1
347 . 1 1 30 30 ASP N N 15 119.600 0.10 . 1 . 308 . . 30 ASP N . 25214 1
348 . 1 1 31 31 GLN H H 1 8.663 0.01 . 1 . 317 . . 31 GLN H . 25214 1
349 . 1 1 31 31 GLN HA H 1 3.794 0.01 . 1 . 319 . . 31 GLN HA . 25214 1
350 . 1 1 31 31 GLN HB2 H 1 2.163 0.01 . 2 . 322 . . 31 GLN HB2 . 25214 1
351 . 1 1 31 31 GLN HB3 H 1 1.963 0.01 . 2 . 323 . . 31 GLN HB3 . 25214 1
352 . 1 1 31 31 GLN HG2 H 1 2.410 0.01 . 2 . 324 . . 31 GLN HG2 . 25214 1
353 . 1 1 31 31 GLN HG3 H 1 2.375 0.01 . 2 . 325 . . 31 GLN HG3 . 25214 1
354 . 1 1 31 31 GLN HE21 H 1 6.834 0.01 . 1 . 326 . . 31 GLN HE21 . 25214 1
355 . 1 1 31 31 GLN HE22 H 1 7.833 0.01 . 1 . 327 . . 31 GLN HE22 . 25214 1
356 . 1 1 31 31 GLN C C 13 177.660 0.10 . 1 . 320 . . 31 GLN C . 25214 1
357 . 1 1 31 31 GLN CA C 13 58.660 0.10 . 1 . 318 . . 31 GLN CA . 25214 1
358 . 1 1 31 31 GLN CB C 13 28.960 0.10 . 1 . 321 . . 31 GLN CB . 25214 1
359 . 1 1 31 31 GLN N N 15 124.100 0.10 . 1 . 316 . . 31 GLN N . 25214 1
360 . 1 1 32 32 ALA H H 1 8.584 0.01 . 1 . 329 . . 32 ALA H . 25214 1
361 . 1 1 32 32 ALA HA H 1 4.167 0.01 . 1 . 331 . . 32 ALA HA . 25214 1
362 . 1 1 32 32 ALA HB1 H 1 1.404 0.01 . 1 . 334 . . 32 ALA HB1 . 25214 1
363 . 1 1 32 32 ALA HB2 H 1 1.404 0.01 . 1 . 334 . . 32 ALA HB2 . 25214 1
364 . 1 1 32 32 ALA HB3 H 1 1.404 0.01 . 1 . 334 . . 32 ALA HB3 . 25214 1
365 . 1 1 32 32 ALA C C 13 181.160 0.10 . 1 . 332 . . 32 ALA C . 25214 1
366 . 1 1 32 32 ALA CA C 13 55.590 0.10 . 1 . 330 . . 32 ALA CA . 25214 1
367 . 1 1 32 32 ALA CB C 13 18.770 0.10 . 1 . 333 . . 32 ALA CB . 25214 1
368 . 1 1 32 32 ALA N N 15 120.430 0.10 . 1 . 328 . . 32 ALA N . 25214 1
369 . 1 1 33 33 ASP H H 1 7.682 0.01 . 1 . 336 . . 33 ASP H . 25214 1
370 . 1 1 33 33 ASP HA H 1 4.408 0.01 . 1 . 338 . . 33 ASP HA . 25214 1
371 . 1 1 33 33 ASP HB2 H 1 2.609 0.01 . 2 . 341 . . 33 ASP HB2 . 25214 1
372 . 1 1 33 33 ASP HB3 H 1 2.815 0.01 . 2 . 342 . . 33 ASP HB3 . 25214 1
373 . 1 1 33 33 ASP C C 13 179.010 0.10 . 1 . 339 . . 33 ASP C . 25214 1
374 . 1 1 33 33 ASP CA C 13 57.170 0.10 . 1 . 337 . . 33 ASP CA . 25214 1
375 . 1 1 33 33 ASP CB C 13 40.960 0.10 . 1 . 340 . . 33 ASP CB . 25214 1
376 . 1 1 33 33 ASP N N 15 119.030 0.10 . 1 . 335 . . 33 ASP N . 25214 1
377 . 1 1 34 34 ILE H H 1 7.432 0.01 . 1 . 344 . . 34 ILE H . 25214 1
378 . 1 1 34 34 ILE HA H 1 3.404 0.01 . 1 . 346 . . 34 ILE HA . 25214 1
379 . 1 1 34 34 ILE HB H 1 1.865 0.01 . 1 . 349 . . 34 ILE HB . 25214 1
380 . 1 1 34 34 ILE HG12 H 1 1.453 0.01 . 2 . 350 . . 34 ILE HG12 . 25214 1
381 . 1 1 34 34 ILE HG13 H 1 0.882 0.01 . 2 . 351 . . 34 ILE HG13 . 25214 1
382 . 1 1 34 34 ILE HG21 H 1 0.860 0.01 . 1 . 353 . . 34 ILE HG21 . 25214 1
383 . 1 1 34 34 ILE HG22 H 1 0.860 0.01 . 1 . 353 . . 34 ILE HG22 . 25214 1
384 . 1 1 34 34 ILE HG23 H 1 0.860 0.01 . 1 . 353 . . 34 ILE HG23 . 25214 1
385 . 1 1 34 34 ILE HD11 H 1 0.693 0.01 . 1 . 355 . . 34 ILE HD11 . 25214 1
386 . 1 1 34 34 ILE HD12 H 1 0.693 0.01 . 1 . 355 . . 34 ILE HD12 . 25214 1
387 . 1 1 34 34 ILE HD13 H 1 0.693 0.01 . 1 . 355 . . 34 ILE HD13 . 25214 1
388 . 1 1 34 34 ILE C C 13 178.060 0.10 . 1 . 347 . . 34 ILE C . 25214 1
389 . 1 1 34 34 ILE CA C 13 65.980 0.10 . 1 . 345 . . 34 ILE CA . 25214 1
390 . 1 1 34 34 ILE CB C 13 38.370 0.10 . 1 . 348 . . 34 ILE CB . 25214 1
391 . 1 1 34 34 ILE CG2 C 13 15.340 0.10 . 1 . 352 . . 34 ILE CG2 . 25214 1
392 . 1 1 34 34 ILE CD1 C 13 11.300 0.10 . 1 . 354 . . 34 ILE CD1 . 25214 1
393 . 1 1 34 34 ILE N N 15 121.610 0.10 . 1 . 343 . . 34 ILE N . 25214 1
394 . 1 1 35 35 ASP H H 1 8.678 0.01 . 1 . 357 . . 35 ASP H . 25214 1
395 . 1 1 35 35 ASP HA H 1 4.321 0.01 . 1 . 359 . . 35 ASP HA . 25214 1
396 . 1 1 35 35 ASP HB2 H 1 2.600 0.01 . 2 . 362 . . 35 ASP HB2 . 25214 1
397 . 1 1 35 35 ASP HB3 H 1 2.713 0.01 . 2 . 363 . . 35 ASP HB3 . 25214 1
398 . 1 1 35 35 ASP C C 13 179.660 0.10 . 1 . 360 . . 35 ASP C . 25214 1
399 . 1 1 35 35 ASP CA C 13 57.930 0.10 . 1 . 358 . . 35 ASP CA . 25214 1
400 . 1 1 35 35 ASP CB C 13 40.880 0.10 . 1 . 361 . . 35 ASP CB . 25214 1
401 . 1 1 35 35 ASP N N 15 119.260 0.10 . 1 . 356 . . 35 ASP N . 25214 1
402 . 1 1 36 36 SER H H 1 7.882 0.01 . 1 . 365 . . 36 SER H . 25214 1
403 . 1 1 36 36 SER HA H 1 4.109 0.01 . 1 . 367 . . 36 SER HA . 25214 1
404 . 1 1 36 36 SER HB2 H 1 3.999 0.01 . 2 . 370 . . 36 SER HB2 . 25214 1
405 . 1 1 36 36 SER HB3 H 1 4.017 0.01 . 2 . 371 . . 36 SER HB3 . 25214 1
406 . 1 1 36 36 SER C C 13 178.370 0.10 . 1 . 368 . . 36 SER C . 25214 1
407 . 1 1 36 36 SER CA C 13 61.890 0.10 . 1 . 366 . . 36 SER CA . 25214 1
408 . 1 1 36 36 SER CB C 13 63.320 0.10 . 1 . 369 . . 36 SER CB . 25214 1
409 . 1 1 36 36 SER N N 15 113.760 0.10 . 1 . 364 . . 36 SER N . 25214 1
410 . 1 1 37 37 LEU H H 1 7.947 0.01 . 1 . 373 . . 37 LEU H . 25214 1
411 . 1 1 37 37 LEU HA H 1 4.112 0.01 . 1 . 375 . . 37 LEU HA . 25214 1
412 . 1 1 37 37 LEU HB2 H 1 1.208 0.01 . 1 . 378 . . 37 LEU HB2 . 25214 1
413 . 1 1 37 37 LEU HB3 H 1 2.061 0.01 . 1 . 379 . . 37 LEU HB3 . 25214 1
414 . 1 1 37 37 LEU HG H 1 1.771 0.01 . 1 . 380 . . 37 LEU HG . 25214 1
415 . 1 1 37 37 LEU HD11 H 1 0.704 0.01 . 2 . 382 . . 37 LEU HD11 . 25214 1
416 . 1 1 37 37 LEU HD12 H 1 0.704 0.01 . 2 . 382 . . 37 LEU HD12 . 25214 1
417 . 1 1 37 37 LEU HD13 H 1 0.704 0.01 . 2 . 382 . . 37 LEU HD13 . 25214 1
418 . 1 1 37 37 LEU HD21 H 1 0.865 0.01 . 2 . 384 . . 37 LEU HD21 . 25214 1
419 . 1 1 37 37 LEU HD22 H 1 0.865 0.01 . 2 . 384 . . 37 LEU HD22 . 25214 1
420 . 1 1 37 37 LEU HD23 H 1 0.865 0.01 . 2 . 384 . . 37 LEU HD23 . 25214 1
421 . 1 1 37 37 LEU C C 13 179.440 0.10 . 1 . 376 . . 37 LEU C . 25214 1
422 . 1 1 37 37 LEU CA C 13 58.670 0.10 . 1 . 374 . . 37 LEU CA . 25214 1
423 . 1 1 37 37 LEU CB C 13 43.520 0.10 . 1 . 377 . . 37 LEU CB . 25214 1
424 . 1 1 37 37 LEU CD1 C 13 23.580 0.10 . 1 . 381 . . 37 LEU CD1 . 25214 1
425 . 1 1 37 37 LEU CD2 C 13 24.650 0.10 . 1 . 383 . . 37 LEU CD2 . 25214 1
426 . 1 1 37 37 LEU N N 15 122.830 0.10 . 1 . 372 . . 37 LEU N . 25214 1
427 . 1 1 38 38 GLN H H 1 8.556 0.01 . 1 . 386 . . 38 GLN H . 25214 1
428 . 1 1 38 38 GLN HA H 1 3.965 0.01 . 1 . 388 . . 38 GLN HA . 25214 1
429 . 1 1 38 38 GLN HB2 H 1 2.214 0.01 . 2 . 391 . . 38 GLN HB2 . 25214 1
430 . 1 1 38 38 GLN HB3 H 1 2.109 0.01 . 2 . 392 . . 38 GLN HB3 . 25214 1
431 . 1 1 38 38 GLN HG2 H 1 2.435 0.01 . 2 . 393 . . 38 GLN HG2 . 25214 1
432 . 1 1 38 38 GLN HG3 H 1 2.308 0.01 . 2 . 394 . . 38 GLN HG3 . 25214 1
433 . 1 1 38 38 GLN HE21 H 1 6.843 0.01 . 1 . 395 . . 38 GLN HE21 . 25214 1
434 . 1 1 38 38 GLN HE22 H 1 7.082 0.01 . 1 . 396 . . 38 GLN HE22 . 25214 1
435 . 1 1 38 38 GLN C C 13 179.500 0.10 . 1 . 389 . . 38 GLN C . 25214 1
436 . 1 1 38 38 GLN CA C 13 59.730 0.10 . 1 . 387 . . 38 GLN CA . 25214 1
437 . 1 1 38 38 GLN CB C 13 29.010 0.10 . 1 . 390 . . 38 GLN CB . 25214 1
438 . 1 1 38 38 GLN N N 15 118.190 0.10 . 1 . 385 . . 38 GLN N . 25214 1
439 . 1 1 39 39 ARG H H 1 8.185 0.01 . 1 . 398 . . 39 ARG H . 25214 1
440 . 1 1 39 39 ARG HA H 1 4.106 0.01 . 1 . 400 . . 39 ARG HA . 25214 1
441 . 1 1 39 39 ARG HB2 H 1 2.037 0.01 . 2 . 403 . . 39 ARG HB2 . 25214 1
442 . 1 1 39 39 ARG HB3 H 1 1.889 0.01 . 2 . 404 . . 39 ARG HB3 . 25214 1
443 . 1 1 39 39 ARG HG2 H 1 1.882 0.01 . 2 . 405 . . 39 ARG HG2 . 25214 1
444 . 1 1 39 39 ARG HG3 H 1 1.573 0.01 . 2 . 406 . . 39 ARG HG3 . 25214 1
445 . 1 1 39 39 ARG HD2 H 1 3.139 0.01 . 2 . 407 . . 39 ARG HD2 . 25214 1
446 . 1 1 39 39 ARG HD3 H 1 3.284 0.01 . 2 . 408 . . 39 ARG HD3 . 25214 1
447 . 1 1 39 39 ARG HE H 1 7.457 0.01 . 1 . 409 . . 39 ARG HE . 25214 1
448 . 1 1 39 39 ARG C C 13 180.170 0.10 . 1 . 401 . . 39 ARG C . 25214 1
449 . 1 1 39 39 ARG CA C 13 60.530 0.10 . 1 . 399 . . 39 ARG CA . 25214 1
450 . 1 1 39 39 ARG CB C 13 30.820 0.10 . 1 . 402 . . 39 ARG CB . 25214 1
451 . 1 1 39 39 ARG N N 15 118.830 0.10 . 1 . 397 . . 39 ARG N . 25214 1
452 . 1 1 40 40 GLN H H 1 8.097 0.01 . 1 . 411 . . 40 GLN H . 25214 1
453 . 1 1 40 40 GLN HA H 1 4.076 0.01 . 1 . 413 . . 40 GLN HA . 25214 1
454 . 1 1 40 40 GLN HB2 H 1 2.296 0.01 . 2 . 416 . . 40 GLN HB2 . 25214 1
455 . 1 1 40 40 GLN HB3 H 1 2.136 0.01 . 2 . 417 . . 40 GLN HB3 . 25214 1
456 . 1 1 40 40 GLN HG2 H 1 2.592 0.01 . 2 . 418 . . 40 GLN HG2 . 25214 1
457 . 1 1 40 40 GLN HG3 H 1 2.292 0.01 . 2 . 419 . . 40 GLN HG3 . 25214 1
458 . 1 1 40 40 GLN HE21 H 1 6.796 0.01 . 1 . 420 . . 40 GLN HE21 . 25214 1
459 . 1 1 40 40 GLN HE22 H 1 7.050 0.01 . 1 . 421 . . 40 GLN HE22 . 25214 1
460 . 1 1 40 40 GLN C C 13 178.760 0.10 . 1 . 414 . . 40 GLN C . 25214 1
461 . 1 1 40 40 GLN CA C 13 60.130 0.10 . 1 . 412 . . 40 GLN CA . 25214 1
462 . 1 1 40 40 GLN CB C 13 29.810 0.10 . 1 . 415 . . 40 GLN CB . 25214 1
463 . 1 1 40 40 GLN N N 15 120.780 0.10 . 1 . 410 . . 40 GLN N . 25214 1
464 . 1 1 41 41 ILE H H 1 8.491 0.01 . 1 . 423 . . 41 ILE H . 25214 1
465 . 1 1 41 41 ILE HA H 1 3.311 0.01 . 1 . 425 . . 41 ILE HA . 25214 1
466 . 1 1 41 41 ILE HB H 1 1.879 0.01 . 1 . 428 . . 41 ILE HB . 25214 1
467 . 1 1 41 41 ILE HG12 H 1 1.770 0.01 . 1 . 429 . . 41 ILE HG12 . 25214 1
468 . 1 1 41 41 ILE HG13 H 1 1.770 0.01 . 1 . 430 . . 41 ILE HG13 . 25214 1
469 . 1 1 41 41 ILE HG21 H 1 0.825 0.01 . 1 . 432 . . 41 ILE HG21 . 25214 1
470 . 1 1 41 41 ILE HG22 H 1 0.825 0.01 . 1 . 432 . . 41 ILE HG22 . 25214 1
471 . 1 1 41 41 ILE HG23 H 1 0.825 0.01 . 1 . 432 . . 41 ILE HG23 . 25214 1
472 . 1 1 41 41 ILE HD11 H 1 0.683 0.01 . 1 . 434 . . 41 ILE HD11 . 25214 1
473 . 1 1 41 41 ILE HD12 H 1 0.683 0.01 . 1 . 434 . . 41 ILE HD12 . 25214 1
474 . 1 1 41 41 ILE HD13 H 1 0.683 0.01 . 1 . 434 . . 41 ILE HD13 . 25214 1
475 . 1 1 41 41 ILE C C 13 177.540 0.10 . 1 . 426 . . 41 ILE C . 25214 1
476 . 1 1 41 41 ILE CA C 13 66.830 0.10 . 1 . 424 . . 41 ILE CA . 25214 1
477 . 1 1 41 41 ILE CB C 13 38.940 0.10 . 1 . 427 . . 41 ILE CB . 25214 1
478 . 1 1 41 41 ILE CG2 C 13 14.860 0.10 . 1 . 431 . . 41 ILE CG2 . 25214 1
479 . 1 1 41 41 ILE CD1 C 13 12.140 0.10 . 1 . 433 . . 41 ILE CD1 . 25214 1
480 . 1 1 41 41 ILE N N 15 121.010 0.10 . 1 . 422 . . 41 ILE N . 25214 1
481 . 1 1 42 42 ASN H H 1 8.010 0.01 . 1 . 436 . . 42 ASN H . 25214 1
482 . 1 1 42 42 ASN HA H 1 4.381 0.01 . 1 . 438 . . 42 ASN HA . 25214 1
483 . 1 1 42 42 ASN HB2 H 1 2.795 0.01 . 2 . 441 . . 42 ASN HB2 . 25214 1
484 . 1 1 42 42 ASN HB3 H 1 2.857 0.01 . 2 . 442 . . 42 ASN HB3 . 25214 1
485 . 1 1 42 42 ASN HD21 H 1 6.964 0.01 . 1 . 443 . . 42 ASN HD21 . 25214 1
486 . 1 1 42 42 ASN HD22 H 1 7.690 0.01 . 1 . 444 . . 42 ASN HD22 . 25214 1
487 . 1 1 42 42 ASN C C 13 178.290 0.10 . 1 . 439 . . 42 ASN C . 25214 1
488 . 1 1 42 42 ASN CA C 13 56.640 0.10 . 1 . 437 . . 42 ASN CA . 25214 1
489 . 1 1 42 42 ASN CB C 13 38.870 0.10 . 1 . 440 . . 42 ASN CB . 25214 1
490 . 1 1 42 42 ASN N N 15 116.710 0.10 . 1 . 435 . . 42 ASN N . 25214 1
491 . 1 1 43 43 ARG H H 1 7.974 0.01 . 1 . 446 . . 43 ARG H . 25214 1
492 . 1 1 43 43 ARG HA H 1 4.211 0.01 . 1 . 448 . . 43 ARG HA . 25214 1
493 . 1 1 43 43 ARG HB2 H 1 2.114 0.01 . 2 . 451 . . 43 ARG HB2 . 25214 1
494 . 1 1 43 43 ARG HB3 H 1 2.032 0.01 . 2 . 452 . . 43 ARG HB3 . 25214 1
495 . 1 1 43 43 ARG HG2 H 1 1.892 0.01 . 2 . 453 . . 43 ARG HG2 . 25214 1
496 . 1 1 43 43 ARG HG3 H 1 1.841 0.01 . 2 . 454 . . 43 ARG HG3 . 25214 1
497 . 1 1 43 43 ARG HD2 H 1 3.225 0.01 . 1 . 455 . . 43 ARG HD2 . 25214 1
498 . 1 1 43 43 ARG HD3 H 1 3.225 0.01 . 1 . 456 . . 43 ARG HD3 . 25214 1
499 . 1 1 43 43 ARG HE H 1 7.267 0.01 . 1 . 457 . . 43 ARG HE . 25214 1
500 . 1 1 43 43 ARG C C 13 178.860 0.10 . 1 . 449 . . 43 ARG C . 25214 1
501 . 1 1 43 43 ARG CA C 13 60.340 0.10 . 1 . 447 . . 43 ARG CA . 25214 1
502 . 1 1 43 43 ARG CB C 13 30.710 0.10 . 1 . 450 . . 43 ARG CB . 25214 1
503 . 1 1 43 43 ARG N N 15 119.420 0.10 . 1 . 445 . . 43 ARG N . 25214 1
504 . 1 1 44 44 VAL H H 1 8.415 0.01 . 1 . 459 . . 44 VAL H . 25214 1
505 . 1 1 44 44 VAL HA H 1 3.826 0.01 . 1 . 461 . . 44 VAL HA . 25214 1
506 . 1 1 44 44 VAL HB H 1 1.992 0.01 . 1 . 464 . . 44 VAL HB . 25214 1
507 . 1 1 44 44 VAL HG11 H 1 0.690 0.01 . 2 . 466 . . 44 VAL HG11 . 25214 1
508 . 1 1 44 44 VAL HG12 H 1 0.690 0.01 . 2 . 466 . . 44 VAL HG12 . 25214 1
509 . 1 1 44 44 VAL HG13 H 1 0.690 0.01 . 2 . 466 . . 44 VAL HG13 . 25214 1
510 . 1 1 44 44 VAL HG21 H 1 0.876 0.01 . 2 . 468 . . 44 VAL HG21 . 25214 1
511 . 1 1 44 44 VAL HG22 H 1 0.876 0.01 . 2 . 468 . . 44 VAL HG22 . 25214 1
512 . 1 1 44 44 VAL HG23 H 1 0.876 0.01 . 2 . 468 . . 44 VAL HG23 . 25214 1
513 . 1 1 44 44 VAL C C 13 179.690 0.10 . 1 . 462 . . 44 VAL C . 25214 1
514 . 1 1 44 44 VAL CA C 13 66.070 0.10 . 1 . 460 . . 44 VAL CA . 25214 1
515 . 1 1 44 44 VAL CB C 13 31.920 0.10 . 1 . 463 . . 44 VAL CB . 25214 1
516 . 1 1 44 44 VAL CG1 C 13 21.120 0.10 . 1 . 465 . . 44 VAL CG1 . 25214 1
517 . 1 1 44 44 VAL CG2 C 13 22.060 0.10 . 1 . 467 . . 44 VAL CG2 . 25214 1
518 . 1 1 44 44 VAL N N 15 120.980 0.10 . 1 . 458 . . 44 VAL N . 25214 1
519 . 1 1 45 45 GLU H H 1 8.632 0.01 . 1 . 470 . . 45 GLU H . 25214 1
520 . 1 1 45 45 GLU HA H 1 3.773 0.01 . 1 . 472 . . 45 GLU HA . 25214 1
521 . 1 1 45 45 GLU HB2 H 1 1.938 0.01 . 2 . 475 . . 45 GLU HB2 . 25214 1
522 . 1 1 45 45 GLU HB3 H 1 2.144 0.01 . 2 . 476 . . 45 GLU HB3 . 25214 1
523 . 1 1 45 45 GLU HG2 H 1 2.400 0.01 . 1 . 477 . . 45 GLU HG2 . 25214 1
524 . 1 1 45 45 GLU HG3 H 1 2.400 0.01 . 1 . 478 . . 45 GLU HG3 . 25214 1
525 . 1 1 45 45 GLU C C 13 178.800 0.10 . 1 . 473 . . 45 GLU C . 25214 1
526 . 1 1 45 45 GLU CA C 13 60.680 0.10 . 1 . 471 . . 45 GLU CA . 25214 1
527 . 1 1 45 45 GLU CB C 13 30.220 0.10 . 1 . 474 . . 45 GLU CB . 25214 1
528 . 1 1 45 45 GLU N N 15 118.690 0.10 . 1 . 469 . . 45 GLU N . 25214 1
529 . 1 1 46 46 LYS H H 1 7.279 0.01 . 1 . 480 . . 46 LYS H . 25214 1
530 . 1 1 46 46 LYS HA H 1 3.950 0.01 . 1 . 482 . . 46 LYS HA . 25214 1
531 . 1 1 46 46 LYS HB2 H 1 1.377 0.01 . 2 . 485 . . 46 LYS HB2 . 25214 1
532 . 1 1 46 46 LYS HB3 H 1 1.018 0.01 . 2 . 486 . . 46 LYS HB3 . 25214 1
533 . 1 1 46 46 LYS HG2 H 1 0.691 0.01 . 2 . 487 . . 46 LYS HG2 . 25214 1
534 . 1 1 46 46 LYS HG3 H 1 0.673 0.01 . 2 . 488 . . 46 LYS HG3 . 25214 1
535 . 1 1 46 46 LYS HD2 H 1 1.374 0.01 . 1 . 489 . . 46 LYS HD2 . 25214 1
536 . 1 1 46 46 LYS HD3 H 1 1.374 0.01 . 1 . 490 . . 46 LYS HD3 . 25214 1
537 . 1 1 46 46 LYS HE2 H 1 2.760 0.01 . 1 . 491 . . 46 LYS HE2 . 25214 1
538 . 1 1 46 46 LYS HE3 H 1 2.760 0.01 . 1 . 492 . . 46 LYS HE3 . 25214 1
539 . 1 1 46 46 LYS C C 13 178.960 0.10 . 1 . 483 . . 46 LYS C . 25214 1
540 . 1 1 46 46 LYS CA C 13 58.830 0.10 . 1 . 481 . . 46 LYS CA . 25214 1
541 . 1 1 46 46 LYS CB C 13 34.150 0.10 . 1 . 484 . . 46 LYS CB . 25214 1
542 . 1 1 46 46 LYS N N 15 115.130 0.10 . 1 . 479 . . 46 LYS N . 25214 1
543 . 1 1 47 47 PHE H H 1 8.758 0.01 . 1 . 494 . . 47 PHE H . 25214 1
544 . 1 1 47 47 PHE HA H 1 4.783 0.01 . 1 . 496 . . 47 PHE HA . 25214 1
545 . 1 1 47 47 PHE HB2 H 1 3.238 0.01 . 1 . 499 . . 47 PHE HB2 . 25214 1
546 . 1 1 47 47 PHE HB3 H 1 2.915 0.01 . 1 . 500 . . 47 PHE HB3 . 25214 1
547 . 1 1 47 47 PHE HD1 H 1 7.368 0.01 . 1 . 502 . . 47 PHE HD1 . 25214 1
548 . 1 1 47 47 PHE HD2 H 1 7.368 0.01 . 1 . 503 . . 47 PHE HD2 . 25214 1
549 . 1 1 47 47 PHE HE1 H 1 7.329 0.01 . 1 . 504 . . 47 PHE HE1 . 25214 1
550 . 1 1 47 47 PHE HE2 H 1 7.329 0.01 . 1 . 505 . . 47 PHE HE2 . 25214 1
551 . 1 1 47 47 PHE HZ H 1 7.264 0.01 . 1 . 501 . . 47 PHE HZ . 25214 1
552 . 1 1 47 47 PHE C C 13 177.570 0.10 . 1 . 497 . . 47 PHE C . 25214 1
553 . 1 1 47 47 PHE CA C 13 58.530 0.10 . 1 . 495 . . 47 PHE CA . 25214 1
554 . 1 1 47 47 PHE CB C 13 41.230 0.10 . 1 . 498 . . 47 PHE CB . 25214 1
555 . 1 1 47 47 PHE N N 15 115.340 0.10 . 1 . 493 . . 47 PHE N . 25214 1
556 . 1 1 48 48 GLY H H 1 8.591 0.01 . 1 . 507 . . 48 GLY H . 25214 1
557 . 1 1 48 48 GLY HA2 H 1 3.541 0.01 . 2 . 509 . . 48 GLY HA2 . 25214 1
558 . 1 1 48 48 GLY HA3 H 1 4.303 0.01 . 2 . 510 . . 48 GLY HA3 . 25214 1
559 . 1 1 48 48 GLY C C 13 172.410 0.10 . 1 . 511 . . 48 GLY C . 25214 1
560 . 1 1 48 48 GLY CA C 13 45.010 0.10 . 1 . 508 . . 48 GLY CA . 25214 1
561 . 1 1 48 48 GLY N N 15 110.720 0.10 . 1 . 506 . . 48 GLY N . 25214 1
562 . 1 1 49 49 VAL H H 1 7.938 0.01 . 1 . 513 . . 49 VAL H . 25214 1
563 . 1 1 49 49 VAL HA H 1 3.955 0.01 . 1 . 515 . . 49 VAL HA . 25214 1
564 . 1 1 49 49 VAL HB H 1 1.729 0.01 . 1 . 518 . . 49 VAL HB . 25214 1
565 . 1 1 49 49 VAL HG11 H 1 0.562 0.01 . 2 . 520 . . 49 VAL HG11 . 25214 1
566 . 1 1 49 49 VAL HG12 H 1 0.562 0.01 . 2 . 520 . . 49 VAL HG12 . 25214 1
567 . 1 1 49 49 VAL HG13 H 1 0.562 0.01 . 2 . 520 . . 49 VAL HG13 . 25214 1
568 . 1 1 49 49 VAL HG21 H 1 0.681 0.01 . 2 . 522 . . 49 VAL HG21 . 25214 1
569 . 1 1 49 49 VAL HG22 H 1 0.681 0.01 . 2 . 522 . . 49 VAL HG22 . 25214 1
570 . 1 1 49 49 VAL HG23 H 1 0.681 0.01 . 2 . 522 . . 49 VAL HG23 . 25214 1
571 . 1 1 49 49 VAL C C 13 175.440 0.10 . 1 . 516 . . 49 VAL C . 25214 1
572 . 1 1 49 49 VAL CA C 13 62.030 0.10 . 1 . 514 . . 49 VAL CA . 25214 1
573 . 1 1 49 49 VAL CB C 13 34.050 0.10 . 1 . 517 . . 49 VAL CB . 25214 1
574 . 1 1 49 49 VAL CG1 C 13 18.630 0.10 . 1 . 519 . . 49 VAL CG1 . 25214 1
575 . 1 1 49 49 VAL CG2 C 13 21.470 0.10 . 1 . 521 . . 49 VAL CG2 . 25214 1
576 . 1 1 49 49 VAL N N 15 117.900 0.10 . 1 . 512 . . 49 VAL N . 25214 1
577 . 1 1 50 50 ASP H H 1 8.744 0.01 . 1 . 524 . . 50 ASP H . 25214 1
578 . 1 1 50 50 ASP HA H 1 4.637 0.01 . 1 . 526 . . 50 ASP HA . 25214 1
579 . 1 1 50 50 ASP HB2 H 1 2.608 0.01 . 2 . 529 . . 50 ASP HB2 . 25214 1
580 . 1 1 50 50 ASP HB3 H 1 2.714 0.01 . 2 . 530 . . 50 ASP HB3 . 25214 1
581 . 1 1 50 50 ASP C C 13 178.620 0.10 . 1 . 527 . . 50 ASP C . 25214 1
582 . 1 1 50 50 ASP CA C 13 53.240 0.10 . 1 . 525 . . 50 ASP CA . 25214 1
583 . 1 1 50 50 ASP CB C 13 41.790 0.10 . 1 . 528 . . 50 ASP CB . 25214 1
584 . 1 1 50 50 ASP N N 15 127.470 0.10 . 1 . 523 . . 50 ASP N . 25214 1
585 . 1 1 51 51 LEU H H 1 9.146 0.01 . 1 . 532 . . 51 LEU H . 25214 1
586 . 1 1 51 51 LEU HA H 1 3.837 0.01 . 1 . 534 . . 51 LEU HA . 25214 1
587 . 1 1 51 51 LEU HB2 H 1 1.506 0.01 . 2 . 537 . . 51 LEU HB2 . 25214 1
588 . 1 1 51 51 LEU HB3 H 1 1.673 0.01 . 2 . 538 . . 51 LEU HB3 . 25214 1
589 . 1 1 51 51 LEU HG H 1 1.719 0.01 . 1 . 539 . . 51 LEU HG . 25214 1
590 . 1 1 51 51 LEU HD11 H 1 0.892 0.01 . 2 . 541 . . 51 LEU HD11 . 25214 1
591 . 1 1 51 51 LEU HD12 H 1 0.892 0.01 . 2 . 541 . . 51 LEU HD12 . 25214 1
592 . 1 1 51 51 LEU HD13 H 1 0.892 0.01 . 2 . 541 . . 51 LEU HD13 . 25214 1
593 . 1 1 51 51 LEU HD21 H 1 0.738 0.01 . 2 . 543 . . 51 LEU HD21 . 25214 1
594 . 1 1 51 51 LEU HD22 H 1 0.738 0.01 . 2 . 543 . . 51 LEU HD22 . 25214 1
595 . 1 1 51 51 LEU HD23 H 1 0.738 0.01 . 2 . 543 . . 51 LEU HD23 . 25214 1
596 . 1 1 51 51 LEU C C 13 177.020 0.10 . 1 . 535 . . 51 LEU C . 25214 1
597 . 1 1 51 51 LEU CA C 13 57.640 0.10 . 1 . 533 . . 51 LEU CA . 25214 1
598 . 1 1 51 51 LEU CB C 13 41.250 0.10 . 1 . 536 . . 51 LEU CB . 25214 1
599 . 1 1 51 51 LEU CD1 C 13 23.200 0.10 . 1 . 540 . . 51 LEU CD1 . 25214 1
600 . 1 1 51 51 LEU CD2 C 13 20.780 0.10 . 1 . 542 . . 51 LEU CD2 . 25214 1
601 . 1 1 51 51 LEU N N 15 129.260 0.10 . 1 . 531 . . 51 LEU N . 25214 1
602 . 1 1 52 52 ASN H H 1 8.527 0.01 . 1 . 545 . . 52 ASN H . 25214 1
603 . 1 1 52 52 ASN HA H 1 4.807 0.01 . 1 . 547 . . 52 ASN HA . 25214 1
604 . 1 1 52 52 ASN HB2 H 1 2.672 0.01 . 2 . 550 . . 52 ASN HB2 . 25214 1
605 . 1 1 52 52 ASN HB3 H 1 2.839 0.01 . 2 . 551 . . 52 ASN HB3 . 25214 1
606 . 1 1 52 52 ASN HD21 H 1 6.866 0.01 . 1 . 552 . . 52 ASN HD21 . 25214 1
607 . 1 1 52 52 ASN HD22 H 1 7.760 0.01 . 1 . 553 . . 52 ASN HD22 . 25214 1
608 . 1 1 52 52 ASN C C 13 175.500 0.10 . 1 . 548 . . 52 ASN C . 25214 1
609 . 1 1 52 52 ASN CA C 13 53.270 0.10 . 1 . 546 . . 52 ASN CA . 25214 1
610 . 1 1 52 52 ASN CB C 13 39.040 0.10 . 1 . 549 . . 52 ASN CB . 25214 1
611 . 1 1 52 52 ASN N N 15 115.650 0.10 . 1 . 544 . . 52 ASN N . 25214 1
612 . 1 1 53 53 SER H H 1 7.582 0.01 . 1 . 555 . . 53 SER H . 25214 1
613 . 1 1 53 53 SER HA H 1 4.496 0.01 . 1 . 557 . . 53 SER HA . 25214 1
614 . 1 1 53 53 SER HB2 H 1 3.937 0.01 . 2 . 560 . . 53 SER HB2 . 25214 1
615 . 1 1 53 53 SER HB3 H 1 4.326 0.01 . 2 . 561 . . 53 SER HB3 . 25214 1
616 . 1 1 53 53 SER C C 13 175.690 0.10 . 1 . 558 . . 53 SER C . 25214 1
617 . 1 1 53 53 SER CA C 13 58.430 0.10 . 1 . 556 . . 53 SER CA . 25214 1
618 . 1 1 53 53 SER CB C 13 67.510 0.10 . 1 . 559 . . 53 SER CB . 25214 1
619 . 1 1 53 53 SER N N 15 114.170 0.10 . 1 . 554 . . 53 SER N . 25214 1
620 . 1 1 54 54 LYS H H 1 8.820 0.01 . 1 . 563 . . 54 LYS H . 25214 1
621 . 1 1 54 54 LYS HA H 1 4.082 0.01 . 1 . 565 . . 54 LYS HA . 25214 1
622 . 1 1 54 54 LYS HB2 H 1 1.817 0.01 . 1 . 568 . . 54 LYS HB2 . 25214 1
623 . 1 1 54 54 LYS HB3 H 1 1.817 0.01 . 1 . 569 . . 54 LYS HB3 . 25214 1
624 . 1 1 54 54 LYS HG2 H 1 1.513 0.01 . 2 . 570 . . 54 LYS HG2 . 25214 1
625 . 1 1 54 54 LYS HG3 H 1 1.466 0.01 . 2 . 571 . . 54 LYS HG3 . 25214 1
626 . 1 1 54 54 LYS HD2 H 1 1.650 0.01 . 1 . 572 . . 54 LYS HD2 . 25214 1
627 . 1 1 54 54 LYS HD3 H 1 1.650 0.01 . 1 . 573 . . 54 LYS HD3 . 25214 1
628 . 1 1 54 54 LYS HE2 H 1 2.924 0.01 . 1 . 574 . . 54 LYS HE2 . 25214 1
629 . 1 1 54 54 LYS HE3 H 1 2.924 0.01 . 1 . 575 . . 54 LYS HE3 . 25214 1
630 . 1 1 54 54 LYS C C 13 179.680 0.10 . 1 . 566 . . 54 LYS C . 25214 1
631 . 1 1 54 54 LYS CA C 13 58.830 0.10 . 1 . 564 . . 54 LYS CA . 25214 1
632 . 1 1 54 54 LYS CB C 13 32.000 0.10 . 1 . 567 . . 54 LYS CB . 25214 1
633 . 1 1 54 54 LYS N N 15 122.730 0.10 . 1 . 562 . . 54 LYS N . 25214 1
634 . 1 1 55 55 LEU H H 1 8.048 0.01 . 1 . 577 . . 55 LEU H . 25214 1
635 . 1 1 55 55 LEU HA H 1 4.134 0.01 . 1 . 579 . . 55 LEU HA . 25214 1
636 . 1 1 55 55 LEU HB2 H 1 1.655 0.01 . 1 . 582 . . 55 LEU HB2 . 25214 1
637 . 1 1 55 55 LEU HB3 H 1 1.568 0.01 . 1 . 583 . . 55 LEU HB3 . 25214 1
638 . 1 1 55 55 LEU HG H 1 1.423 0.01 . 1 . 584 . . 55 LEU HG . 25214 1
639 . 1 1 55 55 LEU HD11 H 1 0.869 0.01 . 2 . 585 . . 55 LEU HD11 . 25214 1
640 . 1 1 55 55 LEU HD12 H 1 0.869 0.01 . 2 . 585 . . 55 LEU HD12 . 25214 1
641 . 1 1 55 55 LEU HD13 H 1 0.869 0.01 . 2 . 585 . . 55 LEU HD13 . 25214 1
642 . 1 1 55 55 LEU HD21 H 1 0.881 0.01 . 2 . 586 . . 55 LEU HD21 . 25214 1
643 . 1 1 55 55 LEU HD22 H 1 0.881 0.01 . 2 . 586 . . 55 LEU HD22 . 25214 1
644 . 1 1 55 55 LEU HD23 H 1 0.881 0.01 . 2 . 586 . . 55 LEU HD23 . 25214 1
645 . 1 1 55 55 LEU C C 13 178.360 0.10 . 1 . 580 . . 55 LEU C . 25214 1
646 . 1 1 55 55 LEU CA C 13 58.160 0.10 . 1 . 578 . . 55 LEU CA . 25214 1
647 . 1 1 55 55 LEU CB C 13 42.180 0.10 . 1 . 581 . . 55 LEU CB . 25214 1
648 . 1 1 55 55 LEU N N 15 120.630 0.10 . 1 . 576 . . 55 LEU N . 25214 1
649 . 1 1 56 56 ALA H H 1 7.390 0.01 . 1 . 588 . . 56 ALA H . 25214 1
650 . 1 1 56 56 ALA HA H 1 3.707 0.01 . 1 . 590 . . 56 ALA HA . 25214 1
651 . 1 1 56 56 ALA HB1 H 1 1.412 0.01 . 1 . 593 . . 56 ALA HB1 . 25214 1
652 . 1 1 56 56 ALA HB2 H 1 1.412 0.01 . 1 . 593 . . 56 ALA HB2 . 25214 1
653 . 1 1 56 56 ALA HB3 H 1 1.412 0.01 . 1 . 593 . . 56 ALA HB3 . 25214 1
654 . 1 1 56 56 ALA C C 13 179.950 0.10 . 1 . 591 . . 56 ALA C . 25214 1
655 . 1 1 56 56 ALA CA C 13 56.070 0.10 . 1 . 589 . . 56 ALA CA . 25214 1
656 . 1 1 56 56 ALA CB C 13 19.160 0.10 . 1 . 592 . . 56 ALA CB . 25214 1
657 . 1 1 56 56 ALA N N 15 118.430 0.10 . 1 . 587 . . 56 ALA N . 25214 1
658 . 1 1 57 57 GLU H H 1 7.307 0.01 . 1 . 595 . . 57 GLU H . 25214 1
659 . 1 1 57 57 GLU HA H 1 4.090 0.01 . 1 . 597 . . 57 GLU HA . 25214 1
660 . 1 1 57 57 GLU HB2 H 1 2.156 0.01 . 1 . 600 . . 57 GLU HB2 . 25214 1
661 . 1 1 57 57 GLU HB3 H 1 2.156 0.01 . 1 . 601 . . 57 GLU HB3 . 25214 1
662 . 1 1 57 57 GLU HG2 H 1 2.123 0.01 . 2 . 602 . . 57 GLU HG2 . 25214 1
663 . 1 1 57 57 GLU HG3 H 1 2.315 0.01 . 2 . 603 . . 57 GLU HG3 . 25214 1
664 . 1 1 57 57 GLU C C 13 181.130 0.10 . 1 . 598 . . 57 GLU C . 25214 1
665 . 1 1 57 57 GLU CA C 13 59.590 0.10 . 1 . 596 . . 57 GLU CA . 25214 1
666 . 1 1 57 57 GLU CB C 13 30.060 0.10 . 1 . 599 . . 57 GLU CB . 25214 1
667 . 1 1 57 57 GLU N N 15 117.610 0.10 . 1 . 594 . . 57 GLU N . 25214 1
668 . 1 1 58 58 GLU H H 1 8.442 0.01 . 1 . 605 . . 58 GLU H . 25214 1
669 . 1 1 58 58 GLU HA H 1 3.962 0.01 . 1 . 607 . . 58 GLU HA . 25214 1
670 . 1 1 58 58 GLU HB2 H 1 2.053 0.01 . 2 . 610 . . 58 GLU HB2 . 25214 1
671 . 1 1 58 58 GLU HB3 H 1 2.152 0.01 . 2 . 611 . . 58 GLU HB3 . 25214 1
672 . 1 1 58 58 GLU HG2 H 1 2.362 0.01 . 1 . 612 . . 58 GLU HG2 . 25214 1
673 . 1 1 58 58 GLU HG3 H 1 2.362 0.01 . 1 . 613 . . 58 GLU HG3 . 25214 1
674 . 1 1 58 58 GLU C C 13 179.470 0.10 . 1 . 608 . . 58 GLU C . 25214 1
675 . 1 1 58 58 GLU CA C 13 59.930 0.10 . 1 . 606 . . 58 GLU CA . 25214 1
676 . 1 1 58 58 GLU CB C 13 30.060 0.10 . 1 . 609 . . 58 GLU CB . 25214 1
677 . 1 1 58 58 GLU N N 15 122.750 0.10 . 1 . 604 . . 58 GLU N . 25214 1
678 . 1 1 59 59 LEU H H 1 7.822 0.01 . 1 . 615 . . 59 LEU H . 25214 1
679 . 1 1 59 59 LEU HA H 1 4.189 0.01 . 1 . 617 . . 59 LEU HA . 25214 1
680 . 1 1 59 59 LEU HB2 H 1 1.530 0.01 . 1 . 620 . . 59 LEU HB2 . 25214 1
681 . 1 1 59 59 LEU HB3 H 1 1.734 0.01 . 1 . 621 . . 59 LEU HB3 . 25214 1
682 . 1 1 59 59 LEU HG H 1 1.827 0.01 . 1 . 622 . . 59 LEU HG . 25214 1
683 . 1 1 59 59 LEU HD11 H 1 0.716 0.01 . 2 . 624 . . 59 LEU HD11 . 25214 1
684 . 1 1 59 59 LEU HD12 H 1 0.716 0.01 . 2 . 624 . . 59 LEU HD12 . 25214 1
685 . 1 1 59 59 LEU HD13 H 1 0.716 0.01 . 2 . 624 . . 59 LEU HD13 . 25214 1
686 . 1 1 59 59 LEU HD21 H 1 0.775 0.01 . 2 . 626 . . 59 LEU HD21 . 25214 1
687 . 1 1 59 59 LEU HD22 H 1 0.775 0.01 . 2 . 626 . . 59 LEU HD22 . 25214 1
688 . 1 1 59 59 LEU HD23 H 1 0.775 0.01 . 2 . 626 . . 59 LEU HD23 . 25214 1
689 . 1 1 59 59 LEU C C 13 177.410 0.10 . 1 . 618 . . 59 LEU C . 25214 1
690 . 1 1 59 59 LEU CA C 13 55.480 0.10 . 1 . 616 . . 59 LEU CA . 25214 1
691 . 1 1 59 59 LEU CB C 13 43.730 0.10 . 1 . 619 . . 59 LEU CB . 25214 1
692 . 1 1 59 59 LEU CD1 C 13 24.500 0.10 . 1 . 623 . . 59 LEU CD1 . 25214 1
693 . 1 1 59 59 LEU CD2 C 13 21.300 0.10 . 1 . 625 . . 59 LEU CD2 . 25214 1
694 . 1 1 59 59 LEU N N 15 115.960 0.10 . 1 . 614 . . 59 LEU N . 25214 1
695 . 1 1 60 60 GLY H H 1 7.839 0.01 . 1 . 628 . . 60 GLY H . 25214 1
696 . 1 1 60 60 GLY HA2 H 1 3.901 0.01 . 2 . 630 . . 60 GLY HA2 . 25214 1
697 . 1 1 60 60 GLY HA3 H 1 4.004 0.01 . 2 . 631 . . 60 GLY HA3 . 25214 1
698 . 1 1 60 60 GLY C C 13 175.900 0.10 . 1 . 632 . . 60 GLY C . 25214 1
699 . 1 1 60 60 GLY CA C 13 46.530 0.10 . 1 . 629 . . 60 GLY CA . 25214 1
700 . 1 1 60 60 GLY N N 15 107.220 0.10 . 1 . 627 . . 60 GLY N . 25214 1
701 . 1 1 61 61 LEU H H 1 7.929 0.01 . 1 . 634 . . 61 LEU H . 25214 1
702 . 1 1 61 61 LEU HA H 1 4.193 0.01 . 1 . 636 . . 61 LEU HA . 25214 1
703 . 1 1 61 61 LEU HB2 H 1 1.539 0.01 . 1 . 639 . . 61 LEU HB2 . 25214 1
704 . 1 1 61 61 LEU HB3 H 1 1.582 0.01 . 1 . 640 . . 61 LEU HB3 . 25214 1
705 . 1 1 61 61 LEU HG H 1 1.534 0.01 . 1 . 641 . . 61 LEU HG . 25214 1
706 . 1 1 61 61 LEU HD11 H 1 0.804 0.01 . 2 . 643 . . 61 LEU HD11 . 25214 1
707 . 1 1 61 61 LEU HD12 H 1 0.804 0.01 . 2 . 643 . . 61 LEU HD12 . 25214 1
708 . 1 1 61 61 LEU HD13 H 1 0.804 0.01 . 2 . 643 . . 61 LEU HD13 . 25214 1
709 . 1 1 61 61 LEU HD21 H 1 0.750 0.01 . 2 . 645 . . 61 LEU HD21 . 25214 1
710 . 1 1 61 61 LEU HD22 H 1 0.750 0.01 . 2 . 645 . . 61 LEU HD22 . 25214 1
711 . 1 1 61 61 LEU HD23 H 1 0.750 0.01 . 2 . 645 . . 61 LEU HD23 . 25214 1
712 . 1 1 61 61 LEU C C 13 176.900 0.10 . 1 . 637 . . 61 LEU C . 25214 1
713 . 1 1 61 61 LEU CA C 13 55.790 0.10 . 1 . 635 . . 61 LEU CA . 25214 1
714 . 1 1 61 61 LEU CB C 13 42.600 0.10 . 1 . 638 . . 61 LEU CB . 25214 1
715 . 1 1 61 61 LEU CD1 C 13 23.630 0.10 . 1 . 642 . . 61 LEU CD1 . 25214 1
716 . 1 1 61 61 LEU CD2 C 13 20.160 0.10 . 1 . 644 . . 61 LEU CD2 . 25214 1
717 . 1 1 61 61 LEU N N 15 117.530 0.10 . 1 . 633 . . 61 LEU N . 25214 1
718 . 1 1 62 62 VAL H H 1 7.442 0.01 . 1 . 647 . . 62 VAL H . 25214 1
719 . 1 1 62 62 VAL HA H 1 4.245 0.01 . 1 . 649 . . 62 VAL HA . 25214 1
720 . 1 1 62 62 VAL HB H 1 1.989 0.01 . 1 . 652 . . 62 VAL HB . 25214 1
721 . 1 1 62 62 VAL HG11 H 1 0.852 0.01 . 2 . 654 . . 62 VAL HG11 . 25214 1
722 . 1 1 62 62 VAL HG12 H 1 0.852 0.01 . 2 . 654 . . 62 VAL HG12 . 25214 1
723 . 1 1 62 62 VAL HG13 H 1 0.852 0.01 . 2 . 654 . . 62 VAL HG13 . 25214 1
724 . 1 1 62 62 VAL HG21 H 1 0.797 0.01 . 2 . 656 . . 62 VAL HG21 . 25214 1
725 . 1 1 62 62 VAL HG22 H 1 0.797 0.01 . 2 . 656 . . 62 VAL HG22 . 25214 1
726 . 1 1 62 62 VAL HG23 H 1 0.797 0.01 . 2 . 656 . . 62 VAL HG23 . 25214 1
727 . 1 1 62 62 VAL C C 13 175.640 0.10 . 1 . 650 . . 62 VAL C . 25214 1
728 . 1 1 62 62 VAL CA C 13 60.990 0.10 . 1 . 648 . . 62 VAL CA . 25214 1
729 . 1 1 62 62 VAL CB C 13 34.650 0.10 . 1 . 651 . . 62 VAL CB . 25214 1
730 . 1 1 62 62 VAL CG1 C 13 19.340 0.10 . 1 . 653 . . 62 VAL CG1 . 25214 1
731 . 1 1 62 62 VAL CG2 C 13 18.110 0.10 . 1 . 655 . . 62 VAL CG2 . 25214 1
732 . 1 1 62 62 VAL N N 15 114.920 0.10 . 1 . 646 . . 62 VAL N . 25214 1
733 . 1 1 63 63 SER H H 1 8.406 0.01 . 1 . 658 . . 63 SER H . 25214 1
734 . 1 1 63 63 SER HA H 1 4.432 0.01 . 1 . 660 . . 63 SER HA . 25214 1
735 . 1 1 63 63 SER HB2 H 1 3.762 0.01 . 1 . 663 . . 63 SER HB2 . 25214 1
736 . 1 1 63 63 SER HB3 H 1 3.762 0.01 . 1 . 664 . . 63 SER HB3 . 25214 1
737 . 1 1 63 63 SER C C 13 174.700 0.10 . 1 . 661 . . 63 SER C . 25214 1
738 . 1 1 63 63 SER CA C 13 58.410 0.10 . 1 . 659 . . 63 SER CA . 25214 1
739 . 1 1 63 63 SER CB C 13 64.400 0.10 . 1 . 662 . . 63 SER CB . 25214 1
740 . 1 1 63 63 SER N N 15 119.160 0.10 . 1 . 657 . . 63 SER N . 25214 1
741 . 1 1 64 64 ARG H H 1 8.465 0.01 . 1 . 666 . . 64 ARG H . 25214 1
742 . 1 1 64 64 ARG HA H 1 4.299 0.01 . 1 . 668 . . 64 ARG HA . 25214 1
743 . 1 1 64 64 ARG HB2 H 1 1.780 0.01 . 2 . 671 . . 64 ARG HB2 . 25214 1
744 . 1 1 64 64 ARG HB3 H 1 1.669 0.01 . 2 . 672 . . 64 ARG HB3 . 25214 1
745 . 1 1 64 64 ARG HG2 H 1 1.561 0.01 . 2 . 673 . . 64 ARG HG2 . 25214 1
746 . 1 1 64 64 ARG HG3 H 1 1.528 0.01 . 2 . 674 . . 64 ARG HG3 . 25214 1
747 . 1 1 64 64 ARG HD2 H 1 3.128 0.01 . 1 . 675 . . 64 ARG HD2 . 25214 1
748 . 1 1 64 64 ARG HD3 H 1 3.128 0.01 . 1 . 676 . . 64 ARG HD3 . 25214 1
749 . 1 1 64 64 ARG HE H 1 7.242 0.01 . 1 . 677 . . 64 ARG HE . 25214 1
750 . 1 1 64 64 ARG C C 13 176.580 0.10 . 1 . 669 . . 64 ARG C . 25214 1
751 . 1 1 64 64 ARG CA C 13 56.350 0.10 . 1 . 667 . . 64 ARG CA . 25214 1
752 . 1 1 64 64 ARG CB C 13 31.380 0.10 . 1 . 670 . . 64 ARG CB . 25214 1
753 . 1 1 64 64 ARG N N 15 123.520 0.10 . 1 . 665 . . 64 ARG N . 25214 1
754 . 1 1 65 65 LYS H H 1 8.386 0.01 . 1 . 679 . . 65 LYS H . 25214 1
755 . 1 1 65 65 LYS HA H 1 4.247 0.01 . 1 . 681 . . 65 LYS HA . 25214 1
756 . 1 1 65 65 LYS HB2 H 1 1.759 0.01 . 2 . 684 . . 65 LYS HB2 . 25214 1
757 . 1 1 65 65 LYS HB3 H 1 1.680 0.01 . 2 . 685 . . 65 LYS HB3 . 25214 1
758 . 1 1 65 65 LYS HG2 H 1 1.378 0.01 . 2 . 686 . . 65 LYS HG2 . 25214 1
759 . 1 1 65 65 LYS HG3 H 1 1.332 0.01 . 2 . 687 . . 65 LYS HG3 . 25214 1
760 . 1 1 65 65 LYS HD2 H 1 1.602 0.01 . 1 . 688 . . 65 LYS HD2 . 25214 1
761 . 1 1 65 65 LYS HD3 H 1 1.602 0.01 . 1 . 689 . . 65 LYS HD3 . 25214 1
762 . 1 1 65 65 LYS HE2 H 1 2.920 0.01 . 1 . 690 . . 65 LYS HE2 . 25214 1
763 . 1 1 65 65 LYS HE3 H 1 2.920 0.01 . 1 . 691 . . 65 LYS HE3 . 25214 1
764 . 1 1 65 65 LYS C C 13 176.610 0.10 . 1 . 682 . . 65 LYS C . 25214 1
765 . 1 1 65 65 LYS CA C 13 56.720 0.10 . 1 . 680 . . 65 LYS CA . 25214 1
766 . 1 1 65 65 LYS CB C 13 33.720 0.10 . 1 . 683 . . 65 LYS CB . 25214 1
767 . 1 1 65 65 LYS N N 15 122.860 0.10 . 1 . 678 . . 65 LYS N . 25214 1
768 . 1 1 66 66 ASN H H 1 8.528 0.01 . 1 . 693 . . 66 ASN H . 25214 1
769 . 1 1 66 66 ASN HA H 1 4.667 0.01 . 1 . 695 . . 66 ASN HA . 25214 1
770 . 1 1 66 66 ASN HB2 H 1 2.672 0.01 . 2 . 698 . . 66 ASN HB2 . 25214 1
771 . 1 1 66 66 ASN HB3 H 1 2.832 0.01 . 2 . 699 . . 66 ASN HB3 . 25214 1
772 . 1 1 66 66 ASN HD21 H 1 6.862 0.01 . 1 . 700 . . 66 ASN HD21 . 25214 1
773 . 1 1 66 66 ASN HD22 H 1 7.591 0.01 . 1 . 701 . . 66 ASN HD22 . 25214 1
774 . 1 1 66 66 ASN C C 13 174.510 0.10 . 1 . 696 . . 66 ASN C . 25214 1
775 . 1 1 66 66 ASN CA C 13 53.850 0.10 . 1 . 694 . . 66 ASN CA . 25214 1
776 . 1 1 66 66 ASN CB C 13 39.410 0.10 . 1 . 697 . . 66 ASN CB . 25214 1
777 . 1 1 66 66 ASN N N 15 120.430 0.10 . 1 . 692 . . 66 ASN N . 25214 1
778 . 1 1 67 67 GLU H H 1 7.875 0.01 . 1 . 703 . . 67 GLU H . 25214 1
779 . 1 1 67 67 GLU HA H 1 4.064 0.01 . 1 . 705 . . 67 GLU HA . 25214 1
780 . 1 1 67 67 GLU HB2 H 1 1.965 0.01 . 2 . 708 . . 67 GLU HB2 . 25214 1
781 . 1 1 67 67 GLU HB3 H 1 2.006 0.01 . 2 . 709 . . 67 GLU HB3 . 25214 1
782 . 1 1 67 67 GLU HG2 H 1 2.108 0.01 . 1 . 710 . . 67 GLU HG2 . 25214 1
783 . 1 1 67 67 GLU HG3 H 1 2.108 0.01 . 1 . 711 . . 67 GLU HG3 . 25214 1
784 . 1 1 67 67 GLU C C 13 181.500 0.10 . 1 . 706 . . 67 GLU C . 25214 1
785 . 1 1 67 67 GLU CA C 13 58.430 0.10 . 1 . 704 . . 67 GLU CA . 25214 1
786 . 1 1 67 67 GLU CB C 13 31.730 0.10 . 1 . 707 . . 67 GLU CB . 25214 1
787 . 1 1 67 67 GLU N N 15 125.700 0.10 . 1 . 702 . . 67 GLU N . 25214 1
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