###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15381
_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 0.035
_Assigned_chem_shift_list.Chem_shift_13C_err 0.4
_Assigned_chem_shift_list.Chem_shift_15N_err 0.4
_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
;
Estimation based on digital spectral resolution in the 3D-NOESY-HSQC spectra.
Initial chemical shifts assignments were based on the double and triple
resonance through-bond experiments. Chemical shifts were then carefully mapped
on the 800MHz (1H) 3D-NOESY-HSQC experiments, from which appropriate tolerances
for automated NOE assignment were estimated.
;
_Assigned_chem_shift_list.Details
;
Errors listed are the tolerances used in the iterative automated NOE assignment
software. Tolerances were based on on spectral resolution of the 3D NOESY
spectra. The Aromatic 13C chemical shift tolerances that were used were 0.5 ppm
;
_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 '2D 1H-15N HSQC' 1 $NapD_13C_15N isotropic 15381 1
2 '3D HNCACB' 1 $NapD_13C_15N isotropic 15381 1
3 '3D CBCA(CO)NH' 1 $NapD_13C_15N isotropic 15381 1
4 '3D HBHA(CBCACO)NH' 1 $NapD_13C_15N isotropic 15381 1
5 '3D HN(CA)HA' 1 $NapD_13C_15N isotropic 15381 1
6 '3D 1H-15N NOESY' 1 $NapD_13C_15N isotropic 15381 1
7 '3D 1H-13C NOESY' 1 $NapD_13C_15N isotropic 15381 1
8 '3D 1H-13C NOESY aromatic' 1 $NapD_13C_15N isotropic 15381 1
9 '3D (H)CCH-TOCSY' 1 $NapD_13C_15N isotropic 15381 1
10 '3D H(C)CH-TOCSY' 1 $NapD_13C_15N isotropic 15381 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $XEASY . . 15381 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 3 3 THR HA H 1 4.135 0.035 . 1 . . . . 3 T HA . 15381 1
2 . 1 1 3 3 THR HB H 1 4.027 0.035 . 1 . . . . 3 T HB . 15381 1
3 . 1 1 3 3 THR HG21 H 1 1.062 0.035 . 1 . . . . 3 T QG2 . 15381 1
4 . 1 1 3 3 THR HG22 H 1 1.062 0.035 . 1 . . . . 3 T QG2 . 15381 1
5 . 1 1 3 3 THR HG23 H 1 1.062 0.035 . 1 . . . . 3 T QG2 . 15381 1
6 . 1 1 3 3 THR CA C 13 62.947 0.4 . 1 . . . . 3 T CA . 15381 1
7 . 1 1 3 3 THR CB C 13 69.616 0.4 . 1 . . . . 3 T CB . 15381 1
8 . 1 1 3 3 THR CG2 C 13 21.686 0.4 . 1 . . . . 3 T CG2 . 15381 1
9 . 1 1 4 4 ASN H H 1 8.724 0.035 . 1 . . . . 4 N HN . 15381 1
10 . 1 1 4 4 ASN HA H 1 4.726 0.035 . 1 . . . . 4 N HA . 15381 1
11 . 1 1 4 4 ASN HB2 H 1 2.840 0.035 . 2 . . . . 4 N HB2 . 15381 1
12 . 1 1 4 4 ASN HB3 H 1 2.914 0.035 . 2 . . . . 4 N HB3 . 15381 1
13 . 1 1 4 4 ASN HD21 H 1 6.888 0.035 . 1 . . . . 4 N HD21 . 15381 1
14 . 1 1 4 4 ASN HD22 H 1 7.601 0.035 . 1 . . . . 4 N HD22 . 15381 1
15 . 1 1 4 4 ASN CA C 13 53.638 0.4 . 1 . . . . 4 N CA . 15381 1
16 . 1 1 4 4 ASN CB C 13 38.463 0.4 . 1 . . . . 4 N CB . 15381 1
17 . 1 1 4 4 ASN N N 15 120.135 0.4 . 1 . . . . 4 N N . 15381 1
18 . 1 1 4 4 ASN ND2 N 15 112.831 0.4 . 1 . . . . 4 N ND2 . 15381 1
19 . 1 1 5 5 TRP H H 1 7.885 0.035 . 1 . . . . 5 W HN . 15381 1
20 . 1 1 5 5 TRP HA H 1 4.626 0.035 . 1 . . . . 5 W HA . 15381 1
21 . 1 1 5 5 TRP HB2 H 1 3.038 0.035 . 2 . . . . 5 W HB2 . 15381 1
22 . 1 1 5 5 TRP HB3 H 1 3.149 0.035 . 2 . . . . 5 W HB3 . 15381 1
23 . 1 1 5 5 TRP HD1 H 1 7.070 0.035 . 1 . . . . 5 W HD1 . 15381 1
24 . 1 1 5 5 TRP HE1 H 1 10.060 0.035 . 1 . . . . 5 W HE1 . 15381 1
25 . 1 1 5 5 TRP HE3 H 1 7.151 0.035 . 1 . . . . 5 W HE3 . 15381 1
26 . 1 1 5 5 TRP HH2 H 1 7.005 0.035 . 1 . . . . 5 W HH2 . 15381 1
27 . 1 1 5 5 TRP HZ2 H 1 7.208 0.035 . 1 . . . . 5 W HZ2 . 15381 1
28 . 1 1 5 5 TRP HZ3 H 1 6.873 0.035 . 1 . . . . 5 W HZ3 . 15381 1
29 . 1 1 5 5 TRP CA C 13 57.772 0.4 . 1 . . . . 5 W CA . 15381 1
30 . 1 1 5 5 TRP CB C 13 29.618 0.4 . 1 . . . . 5 W CB . 15381 1
31 . 1 1 5 5 TRP CD1 C 13 125.822 0.4 . 1 . . . . 5 W CD1 . 15381 1
32 . 1 1 5 5 TRP CE3 C 13 120.093 0.4 . 1 . . . . 5 W CE3 . 15381 1
33 . 1 1 5 5 TRP CH2 C 13 124.754 0.4 . 1 . . . . 5 W CH2 . 15381 1
34 . 1 1 5 5 TRP CZ2 C 13 114.364 0.4 . 1 . . . . 5 W CZ2 . 15381 1
35 . 1 1 5 5 TRP CZ3 C 13 121.646 0.4 . 1 . . . . 5 W CZ3 . 15381 1
36 . 1 1 5 5 TRP N N 15 121.516 0.4 . 1 . . . . 5 W N . 15381 1
37 . 1 1 5 5 TRP NE1 N 15 128.970 0.4 . 1 . . . . 5 W NE1 . 15381 1
38 . 1 1 6 6 GLN H H 1 8.523 0.035 . 1 . . . . 6 Q HN . 15381 1
39 . 1 1 6 6 GLN HA H 1 4.450 0.035 . 1 . . . . 6 Q HA . 15381 1
40 . 1 1 6 6 GLN HB2 H 1 1.706 0.035 . 2 . . . . 6 Q HB2 . 15381 1
41 . 1 1 6 6 GLN HB3 H 1 2.007 0.035 . 2 . . . . 6 Q HB3 . 15381 1
42 . 1 1 6 6 GLN HE21 H 1 6.705 0.035 . 1 . . . . 6 Q HE21 . 15381 1
43 . 1 1 6 6 GLN HE22 H 1 7.339 0.035 . 1 . . . . 6 Q HE22 . 15381 1
44 . 1 1 6 6 GLN HG2 H 1 1.998 0.035 . 2 . . . . 6 Q HG2 . 15381 1
45 . 1 1 6 6 GLN HG3 H 1 2.187 0.035 . 2 . . . . 6 Q HG3 . 15381 1
46 . 1 1 6 6 GLN CA C 13 54.990 0.4 . 1 . . . . 6 Q CA . 15381 1
47 . 1 1 6 6 GLN CB C 13 30.924 0.4 . 1 . . . . 6 Q CB . 15381 1
48 . 1 1 6 6 GLN CG C 13 33.431 0.4 . 1 . . . . 6 Q CG . 15381 1
49 . 1 1 6 6 GLN N N 15 120.967 0.4 . 1 . . . . 6 Q N . 15381 1
50 . 1 1 6 6 GLN NE2 N 15 112.253 0.4 . 1 . . . . 6 Q NE2 . 15381 1
51 . 1 1 7 7 VAL H H 1 8.134 0.035 . 1 . . . . 7 V HN . 15381 1
52 . 1 1 7 7 VAL HA H 1 5.168 0.035 . 1 . . . . 7 V HA . 15381 1
53 . 1 1 7 7 VAL HB H 1 1.848 0.035 . 1 . . . . 7 V HB . 15381 1
54 . 1 1 7 7 VAL HG11 H 1 0.860 0.035 . 2 . . . . 7 V QG1 . 15381 1
55 . 1 1 7 7 VAL HG12 H 1 0.860 0.035 . 2 . . . . 7 V QG1 . 15381 1
56 . 1 1 7 7 VAL HG13 H 1 0.860 0.035 . 2 . . . . 7 V QG1 . 15381 1
57 . 1 1 7 7 VAL HG21 H 1 0.770 0.035 . 2 . . . . 7 V QG2 . 15381 1
58 . 1 1 7 7 VAL HG22 H 1 0.770 0.035 . 2 . . . . 7 V QG2 . 15381 1
59 . 1 1 7 7 VAL HG23 H 1 0.770 0.035 . 2 . . . . 7 V QG2 . 15381 1
60 . 1 1 7 7 VAL CA C 13 60.428 0.4 . 1 . . . . 7 V CA . 15381 1
61 . 1 1 7 7 VAL CB C 13 34.812 0.4 . 1 . . . . 7 V CB . 15381 1
62 . 1 1 7 7 VAL CG1 C 13 21.350 0.4 . 2 . . . . 7 V CG1 . 15381 1
63 . 1 1 7 7 VAL CG2 C 13 20.890 0.4 . 2 . . . . 7 V CG2 . 15381 1
64 . 1 1 7 7 VAL N N 15 120.124 0.4 . 1 . . . . 7 V N . 15381 1
65 . 1 1 8 8 CYS H H 1 9.123 0.035 . 1 . . . . 8 C HN . 15381 1
66 . 1 1 8 8 CYS HA H 1 4.818 0.035 . 1 . . . . 8 C HA . 15381 1
67 . 1 1 8 8 CYS HB2 H 1 2.687 0.035 . 2 . . . . 8 C QB . 15381 1
68 . 1 1 8 8 CYS HB3 H 1 2.687 0.035 . 2 . . . . 8 C QB . 15381 1
69 . 1 1 8 8 CYS CA C 13 56.980 0.4 . 1 . . . . 8 C CA . 15381 1
70 . 1 1 8 8 CYS CB C 13 31.096 0.4 . 1 . . . . 8 C CB . 15381 1
71 . 1 1 8 8 CYS N N 15 123.223 0.4 . 1 . . . . 8 C N . 15381 1
72 . 1 1 9 9 SER H H 1 8.570 0.035 . 1 . . . . 9 S HN . 15381 1
73 . 1 1 9 9 SER HA H 1 5.446 0.035 . 1 . . . . 9 S HA . 15381 1
74 . 1 1 9 9 SER HB2 H 1 3.551 0.035 . 2 . . . . 9 S HB2 . 15381 1
75 . 1 1 9 9 SER HB3 H 1 3.639 0.035 . 2 . . . . 9 S HB3 . 15381 1
76 . 1 1 9 9 SER CA C 13 57.716 0.4 . 1 . . . . 9 S CA . 15381 1
77 . 1 1 9 9 SER CB C 13 65.128 0.4 . 1 . . . . 9 S CB . 15381 1
78 . 1 1 9 9 SER N N 15 116.767 0.4 . 1 . . . . 9 S N . 15381 1
79 . 1 1 10 10 LEU H H 1 9.527 0.035 . 1 . . . . 10 L HN . 15381 1
80 . 1 1 10 10 LEU HA H 1 5.196 0.035 . 1 . . . . 10 L HA . 15381 1
81 . 1 1 10 10 LEU HB2 H 1 1.187 0.035 . 2 . . . . 10 L HB2 . 15381 1
82 . 1 1 10 10 LEU HB3 H 1 1.583 0.035 . 2 . . . . 10 L HB3 . 15381 1
83 . 1 1 10 10 LEU HD11 H 1 0.640 0.035 . 1 . . . . 10 L QD1 . 15381 1
84 . 1 1 10 10 LEU HD12 H 1 0.640 0.035 . 1 . . . . 10 L QD1 . 15381 1
85 . 1 1 10 10 LEU HD13 H 1 0.640 0.035 . 1 . . . . 10 L QD1 . 15381 1
86 . 1 1 10 10 LEU HD21 H 1 0.657 0.035 . 1 . . . . 10 L QD2 . 15381 1
87 . 1 1 10 10 LEU HD22 H 1 0.657 0.035 . 1 . . . . 10 L QD2 . 15381 1
88 . 1 1 10 10 LEU HD23 H 1 0.657 0.035 . 1 . . . . 10 L QD2 . 15381 1
89 . 1 1 10 10 LEU HG H 1 1.565 0.035 . 1 . . . . 10 L HG . 15381 1
90 . 1 1 10 10 LEU CA C 13 52.630 0.4 . 1 . . . . 10 L CA . 15381 1
91 . 1 1 10 10 LEU CB C 13 44.464 0.4 . 1 . . . . 10 L CB . 15381 1
92 . 1 1 10 10 LEU CD1 C 13 25.894 0.4 . 1 . . . . 10 L CD1 . 15381 1
93 . 1 1 10 10 LEU CD2 C 13 24.288 0.4 . 1 . . . . 10 L CD2 . 15381 1
94 . 1 1 10 10 LEU CG C 13 26.857 0.4 . 1 . . . . 10 L CG . 15381 1
95 . 1 1 10 10 LEU N N 15 122.417 0.4 . 1 . . . . 10 L N . 15381 1
96 . 1 1 11 11 VAL H H 1 8.965 0.035 . 1 . . . . 11 V HN . 15381 1
97 . 1 1 11 11 VAL HA H 1 4.486 0.035 . 1 . . . . 11 V HA . 15381 1
98 . 1 1 11 11 VAL HB H 1 1.891 0.035 . 1 . . . . 11 V HB . 15381 1
99 . 1 1 11 11 VAL HG11 H 1 0.724 0.035 . 1 . . . . 11 V QG1 . 15381 1
100 . 1 1 11 11 VAL HG12 H 1 0.724 0.035 . 1 . . . . 11 V QG1 . 15381 1
101 . 1 1 11 11 VAL HG13 H 1 0.724 0.035 . 1 . . . . 11 V QG1 . 15381 1
102 . 1 1 11 11 VAL HG21 H 1 0.782 0.035 . 1 . . . . 11 V QG2 . 15381 1
103 . 1 1 11 11 VAL HG22 H 1 0.782 0.035 . 1 . . . . 11 V QG2 . 15381 1
104 . 1 1 11 11 VAL HG23 H 1 0.782 0.035 . 1 . . . . 11 V QG2 . 15381 1
105 . 1 1 11 11 VAL CA C 13 62.109 0.4 . 1 . . . . 11 V CA . 15381 1
106 . 1 1 11 11 VAL CB C 13 32.002 0.4 . 1 . . . . 11 V CB . 15381 1
107 . 1 1 11 11 VAL CG1 C 13 21.080 0.4 . 1 . . . . 11 V CG1 . 15381 1
108 . 1 1 11 11 VAL CG2 C 13 20.634 0.4 . 1 . . . . 11 V CG2 . 15381 1
109 . 1 1 11 11 VAL N N 15 122.861 0.4 . 1 . . . . 11 V N . 15381 1
110 . 1 1 12 12 VAL H H 1 9.318 0.035 . 1 . . . . 12 V HN . 15381 1
111 . 1 1 12 12 VAL HA H 1 4.591 0.035 . 1 . . . . 12 V HA . 15381 1
112 . 1 1 12 12 VAL HB H 1 1.939 0.035 . 1 . . . . 12 V HB . 15381 1
113 . 1 1 12 12 VAL HG11 H 1 0.765 0.035 . 1 . . . . 12 V QG1 . 15381 1
114 . 1 1 12 12 VAL HG12 H 1 0.765 0.035 . 1 . . . . 12 V QG1 . 15381 1
115 . 1 1 12 12 VAL HG13 H 1 0.765 0.035 . 1 . . . . 12 V QG1 . 15381 1
116 . 1 1 12 12 VAL HG21 H 1 0.725 0.035 . 1 . . . . 12 V QG2 . 15381 1
117 . 1 1 12 12 VAL HG22 H 1 0.725 0.035 . 1 . . . . 12 V QG2 . 15381 1
118 . 1 1 12 12 VAL HG23 H 1 0.725 0.035 . 1 . . . . 12 V QG2 . 15381 1
119 . 1 1 12 12 VAL CA C 13 61.155 0.4 . 1 . . . . 12 V CA . 15381 1
120 . 1 1 12 12 VAL CB C 13 33.988 0.4 . 1 . . . . 12 V CB . 15381 1
121 . 1 1 12 12 VAL CG1 C 13 22.058 0.4 . 1 . . . . 12 V CG1 . 15381 1
122 . 1 1 12 12 VAL CG2 C 13 22.058 0.4 . 1 . . . . 12 V CG2 . 15381 1
123 . 1 1 12 12 VAL N N 15 130.942 0.4 . 1 . . . . 12 V N . 15381 1
124 . 1 1 13 13 GLN H H 1 8.692 0.035 . 1 . . . . 13 Q HN . 15381 1
125 . 1 1 13 13 GLN HA H 1 5.060 0.035 . 1 . . . . 13 Q HA . 15381 1
126 . 1 1 13 13 GLN HB2 H 1 1.876 0.035 . 2 . . . . 13 Q HB2 . 15381 1
127 . 1 1 13 13 GLN HB3 H 1 2.076 0.035 . 2 . . . . 13 Q HB3 . 15381 1
128 . 1 1 13 13 GLN HE21 H 1 6.784 0.035 . 1 . . . . 13 Q HE21 . 15381 1
129 . 1 1 13 13 GLN HE22 H 1 7.484 0.035 . 1 . . . . 13 Q HE22 . 15381 1
130 . 1 1 13 13 GLN HG2 H 1 2.290 0.035 . 2 . . . . 13 Q QG . 15381 1
131 . 1 1 13 13 GLN HG3 H 1 2.290 0.035 . 2 . . . . 13 Q QG . 15381 1
132 . 1 1 13 13 GLN CA C 13 54.116 0.4 . 1 . . . . 13 Q CA . 15381 1
133 . 1 1 13 13 GLN CB C 13 30.527 0.4 . 1 . . . . 13 Q CB . 15381 1
134 . 1 1 13 13 GLN CG C 13 33.978 0.4 . 1 . . . . 13 Q CG . 15381 1
135 . 1 1 13 13 GLN N N 15 125.930 0.4 . 1 . . . . 13 Q N . 15381 1
136 . 1 1 13 13 GLN NE2 N 15 112.369 0.4 . 1 . . . . 13 Q NE2 . 15381 1
137 . 1 1 14 14 ALA H H 1 9.088 0.035 . 1 . . . . 14 A HN . 15381 1
138 . 1 1 14 14 ALA HA H 1 4.886 0.035 . 1 . . . . 14 A HA . 15381 1
139 . 1 1 14 14 ALA HB1 H 1 1.048 0.035 . 1 . . . . 14 A QB . 15381 1
140 . 1 1 14 14 ALA HB2 H 1 1.048 0.035 . 1 . . . . 14 A QB . 15381 1
141 . 1 1 14 14 ALA HB3 H 1 1.048 0.035 . 1 . . . . 14 A QB . 15381 1
142 . 1 1 14 14 ALA CA C 13 50.501 0.4 . 1 . . . . 14 A CA . 15381 1
143 . 1 1 14 14 ALA CB C 13 23.616 0.4 . 1 . . . . 14 A CB . 15381 1
144 . 1 1 14 14 ALA N N 15 128.264 0.4 . 1 . . . . 14 A N . 15381 1
145 . 1 1 15 15 LYS H H 1 8.455 0.035 . 1 . . . . 15 K HN . 15381 1
146 . 1 1 15 15 LYS HA H 1 4.205 0.035 . 1 . . . . 15 K HA . 15381 1
147 . 1 1 15 15 LYS HB2 H 1 1.517 0.035 . 2 . . . . 15 K HB2 . 15381 1
148 . 1 1 15 15 LYS HB3 H 1 1.957 0.035 . 2 . . . . 15 K HB3 . 15381 1
149 . 1 1 15 15 LYS HD2 H 1 1.696 0.035 . 2 . . . . 15 K QD . 15381 1
150 . 1 1 15 15 LYS HD3 H 1 1.696 0.035 . 2 . . . . 15 K QD . 15381 1
151 . 1 1 15 15 LYS HE2 H 1 2.973 0.035 . 2 . . . . 15 K QE . 15381 1
152 . 1 1 15 15 LYS HE3 H 1 2.973 0.035 . 2 . . . . 15 K QE . 15381 1
153 . 1 1 15 15 LYS HG2 H 1 1.514 0.035 . 2 . . . . 15 K HG2 . 15381 1
154 . 1 1 15 15 LYS HG3 H 1 1.610 0.035 . 2 . . . . 15 K HG3 . 15381 1
155 . 1 1 15 15 LYS CA C 13 56.768 0.4 . 1 . . . . 15 K CA . 15381 1
156 . 1 1 15 15 LYS CB C 13 32.627 0.4 . 1 . . . . 15 K CB . 15381 1
157 . 1 1 15 15 LYS CD C 13 29.272 0.4 . 1 . . . . 15 K CD . 15381 1
158 . 1 1 15 15 LYS CE C 13 41.969 0.4 . 1 . . . . 15 K CE . 15381 1
159 . 1 1 15 15 LYS CG C 13 25.128 0.4 . 1 . . . . 15 K CG . 15381 1
160 . 1 1 15 15 LYS N N 15 119.579 0.4 . 1 . . . . 15 K N . 15381 1
161 . 1 1 16 16 SER H H 1 8.727 0.035 . 1 . . . . 16 S HN . 15381 1
162 . 1 1 16 16 SER HA H 1 3.959 0.035 . 1 . . . . 16 S HA . 15381 1
163 . 1 1 16 16 SER HB2 H 1 3.831 0.035 . 2 . . . . 16 S QB . 15381 1
164 . 1 1 16 16 SER HB3 H 1 3.831 0.035 . 2 . . . . 16 S QB . 15381 1
165 . 1 1 16 16 SER CA C 13 63.066 0.4 . 1 . . . . 16 S CA . 15381 1
166 . 1 1 16 16 SER CB C 13 63.537 0.4 . 1 . . . . 16 S CB . 15381 1
167 . 1 1 16 16 SER N N 15 121.214 0.4 . 1 . . . . 16 S N . 15381 1
168 . 1 1 17 17 GLU H H 1 9.708 0.035 . 1 . . . . 17 E HN . 15381 1
169 . 1 1 17 17 GLU HA H 1 4.202 0.035 . 1 . . . . 17 E HA . 15381 1
170 . 1 1 17 17 GLU HB2 H 1 2.039 0.035 . 2 . . . . 17 E QB . 15381 1
171 . 1 1 17 17 GLU HB3 H 1 2.039 0.035 . 2 . . . . 17 E QB . 15381 1
172 . 1 1 17 17 GLU HG2 H 1 2.324 0.035 . 2 . . . . 17 E QG . 15381 1
173 . 1 1 17 17 GLU HG3 H 1 2.324 0.035 . 2 . . . . 17 E QG . 15381 1
174 . 1 1 17 17 GLU CA C 13 58.615 0.4 . 1 . . . . 17 E CA . 15381 1
175 . 1 1 17 17 GLU CB C 13 28.442 0.4 . 1 . . . . 17 E CB . 15381 1
176 . 1 1 17 17 GLU CG C 13 36.165 0.4 . 1 . . . . 17 E CG . 15381 1
177 . 1 1 17 17 GLU N N 15 118.853 0.4 . 1 . . . . 17 E N . 15381 1
178 . 1 1 18 18 ARG H H 1 7.827 0.035 . 1 . . . . 18 R HN . 15381 1
179 . 1 1 18 18 ARG HA H 1 4.703 0.035 . 1 . . . . 18 R HA . 15381 1
180 . 1 1 18 18 ARG HB2 H 1 1.696 0.035 . 2 . . . . 18 R HB2 . 15381 1
181 . 1 1 18 18 ARG HB3 H 1 2.201 0.035 . 2 . . . . 18 R HB3 . 15381 1
182 . 1 1 18 18 ARG HD2 H 1 3.201 0.035 . 2 . . . . 18 R QD . 15381 1
183 . 1 1 18 18 ARG HD3 H 1 3.201 0.035 . 2 . . . . 18 R QD . 15381 1
184 . 1 1 18 18 ARG HG2 H 1 1.516 0.035 . 2 . . . . 18 R HG2 . 15381 1
185 . 1 1 18 18 ARG HG3 H 1 1.710 0.035 . 2 . . . . 18 R HG3 . 15381 1
186 . 1 1 18 18 ARG CA C 13 54.249 0.4 . 1 . . . . 18 R CA . 15381 1
187 . 1 1 18 18 ARG CB C 13 30.736 0.4 . 1 . . . . 18 R CB . 15381 1
188 . 1 1 18 18 ARG CD C 13 42.245 0.4 . 1 . . . . 18 R CD . 15381 1
189 . 1 1 18 18 ARG CG C 13 27.009 0.4 . 1 . . . . 18 R CG . 15381 1
190 . 1 1 18 18 ARG N N 15 117.124 0.4 . 1 . . . . 18 R N . 15381 1
191 . 1 1 19 19 ILE H H 1 7.259 0.035 . 1 . . . . 19 I HN . 15381 1
192 . 1 1 19 19 ILE HA H 1 3.501 0.035 . 1 . . . . 19 I HA . 15381 1
193 . 1 1 19 19 ILE HB H 1 1.978 0.035 . 1 . . . . 19 I HB . 15381 1
194 . 1 1 19 19 ILE HD11 H 1 0.562 0.035 . 1 . . . . 19 I QD1 . 15381 1
195 . 1 1 19 19 ILE HD12 H 1 0.562 0.035 . 1 . . . . 19 I QD1 . 15381 1
196 . 1 1 19 19 ILE HD13 H 1 0.562 0.035 . 1 . . . . 19 I QD1 . 15381 1
197 . 1 1 19 19 ILE HG12 H 1 1.383 0.035 . 2 . . . . 19 I HG12 . 15381 1
198 . 1 1 19 19 ILE HG13 H 1 1.446 0.035 . 2 . . . . 19 I HG13 . 15381 1
199 . 1 1 19 19 ILE HG21 H 1 0.786 0.035 . 1 . . . . 19 I QG2 . 15381 1
200 . 1 1 19 19 ILE HG22 H 1 0.786 0.035 . 1 . . . . 19 I QG2 . 15381 1
201 . 1 1 19 19 ILE HG23 H 1 0.786 0.035 . 1 . . . . 19 I QG2 . 15381 1
202 . 1 1 19 19 ILE CA C 13 64.808 0.4 . 1 . . . . 19 I CA . 15381 1
203 . 1 1 19 19 ILE CB C 13 36.814 0.4 . 1 . . . . 19 I CB . 15381 1
204 . 1 1 19 19 ILE CD1 C 13 12.233 0.4 . 1 . . . . 19 I CD1 . 15381 1
205 . 1 1 19 19 ILE CG1 C 13 29.672 0.4 . 1 . . . . 19 I CG1 . 15381 1
206 . 1 1 19 19 ILE CG2 C 13 16.740 0.4 . 1 . . . . 19 I CG2 . 15381 1
207 . 1 1 19 19 ILE N N 15 120.663 0.4 . 1 . . . . 19 I N . 15381 1
208 . 1 1 20 20 SER HA H 1 4.135 0.035 . 1 . . . . 20 S HA . 15381 1
209 . 1 1 20 20 SER HB2 H 1 3.865 0.035 . 2 . . . . 20 S QB . 15381 1
210 . 1 1 20 20 SER HB3 H 1 3.865 0.035 . 2 . . . . 20 S QB . 15381 1
211 . 1 1 20 20 SER CA C 13 62.175 0.4 . 1 . . . . 20 S CA . 15381 1
212 . 1 1 20 20 SER CB C 13 64.000 0.4 . 1 . . . . 20 S CB . 15381 1
213 . 1 1 21 21 ASP H H 1 7.939 0.035 . 1 . . . . 21 D HN . 15381 1
214 . 1 1 21 21 ASP HA H 1 4.390 0.035 . 1 . . . . 21 D HA . 15381 1
215 . 1 1 21 21 ASP HB2 H 1 2.651 0.035 . 2 . . . . 21 D QB . 15381 1
216 . 1 1 21 21 ASP HB3 H 1 2.651 0.035 . 2 . . . . 21 D QB . 15381 1
217 . 1 1 21 21 ASP CA C 13 57.264 0.4 . 1 . . . . 21 D CA . 15381 1
218 . 1 1 21 21 ASP CB C 13 40.997 0.4 . 1 . . . . 21 D CB . 15381 1
219 . 1 1 21 21 ASP N N 15 122.543 0.4 . 1 . . . . 21 D N . 15381 1
220 . 1 1 22 22 ILE H H 1 8.481 0.035 . 1 . . . . 22 I HN . 15381 1
221 . 1 1 22 22 ILE HA H 1 3.497 0.035 . 1 . . . . 22 I HA . 15381 1
222 . 1 1 22 22 ILE HB H 1 1.543 0.035 . 1 . . . . 22 I HB . 15381 1
223 . 1 1 22 22 ILE HD11 H 1 0.585 0.035 . 1 . . . . 22 I QD1 . 15381 1
224 . 1 1 22 22 ILE HD12 H 1 0.585 0.035 . 1 . . . . 22 I QD1 . 15381 1
225 . 1 1 22 22 ILE HD13 H 1 0.585 0.035 . 1 . . . . 22 I QD1 . 15381 1
226 . 1 1 22 22 ILE HG12 H 1 0.916 0.035 . 2 . . . . 22 I HG12 . 15381 1
227 . 1 1 22 22 ILE HG13 H 1 1.760 0.035 . 2 . . . . 22 I HG13 . 15381 1
228 . 1 1 22 22 ILE HG21 H 1 0.568 0.035 . 1 . . . . 22 I QG2 . 15381 1
229 . 1 1 22 22 ILE HG22 H 1 0.568 0.035 . 1 . . . . 22 I QG2 . 15381 1
230 . 1 1 22 22 ILE HG23 H 1 0.568 0.035 . 1 . . . . 22 I QG2 . 15381 1
231 . 1 1 22 22 ILE CA C 13 65.574 0.4 . 1 . . . . 22 I CA . 15381 1
232 . 1 1 22 22 ILE CB C 13 38.420 0.4 . 1 . . . . 22 I CB . 15381 1
233 . 1 1 22 22 ILE CD1 C 13 15.458 0.4 . 1 . . . . 22 I CD1 . 15381 1
234 . 1 1 22 22 ILE CG1 C 13 29.266 0.4 . 1 . . . . 22 I CG1 . 15381 1
235 . 1 1 22 22 ILE CG2 C 13 17.531 0.4 . 1 . . . . 22 I CG2 . 15381 1
236 . 1 1 22 22 ILE N N 15 121.035 0.4 . 1 . . . . 22 I N . 15381 1
237 . 1 1 23 23 SER H H 1 8.477 0.035 . 1 . . . . 23 S HN . 15381 1
238 . 1 1 23 23 SER HA H 1 3.808 0.035 . 1 . . . . 23 S HA . 15381 1
239 . 1 1 23 23 SER HB2 H 1 3.891 0.035 . 2 . . . . 23 S HB2 . 15381 1
240 . 1 1 23 23 SER HB3 H 1 3.948 0.035 . 2 . . . . 23 S HB3 . 15381 1
241 . 1 1 23 23 SER CA C 13 62.709 0.4 . 1 . . . . 23 S CA . 15381 1
242 . 1 1 23 23 SER CB C 13 62.877 0.4 . 1 . . . . 23 S CB . 15381 1
243 . 1 1 23 23 SER N N 15 115.223 0.4 . 1 . . . . 23 S N . 15381 1
244 . 1 1 24 24 THR H H 1 7.584 0.035 . 1 . . . . 24 T HN . 15381 1
245 . 1 1 24 24 THR HA H 1 3.869 0.035 . 1 . . . . 24 T HA . 15381 1
246 . 1 1 24 24 THR HB H 1 4.235 0.035 . 1 . . . . 24 T HB . 15381 1
247 . 1 1 24 24 THR HG21 H 1 1.198 0.035 . 1 . . . . 24 T QG2 . 15381 1
248 . 1 1 24 24 THR HG22 H 1 1.198 0.035 . 1 . . . . 24 T QG2 . 15381 1
249 . 1 1 24 24 THR HG23 H 1 1.198 0.035 . 1 . . . . 24 T QG2 . 15381 1
250 . 1 1 24 24 THR CA C 13 66.352 0.4 . 1 . . . . 24 T CA . 15381 1
251 . 1 1 24 24 THR CB C 13 68.805 0.4 . 1 . . . . 24 T CB . 15381 1
252 . 1 1 24 24 THR CG2 C 13 21.868 0.4 . 1 . . . . 24 T CG2 . 15381 1
253 . 1 1 24 24 THR N N 15 116.123 0.4 . 1 . . . . 24 T N . 15381 1
254 . 1 1 25 25 GLN H H 1 7.620 0.035 . 1 . . . . 25 Q HN . 15381 1
255 . 1 1 25 25 GLN HA H 1 3.923 0.035 . 1 . . . . 25 Q HA . 15381 1
256 . 1 1 25 25 GLN HB2 H 1 1.941 0.035 . 2 . . . . 25 Q HB2 . 15381 1
257 . 1 1 25 25 GLN HB3 H 1 2.035 0.035 . 2 . . . . 25 Q HB3 . 15381 1
258 . 1 1 25 25 GLN HE21 H 1 6.946 0.035 . 1 . . . . 25 Q HE21 . 15381 1
259 . 1 1 25 25 GLN HE22 H 1 7.141 0.035 . 1 . . . . 25 Q HE22 . 15381 1
260 . 1 1 25 25 GLN HG2 H 1 2.187 0.035 . 2 . . . . 25 Q HG2 . 15381 1
261 . 1 1 25 25 GLN HG3 H 1 2.387 0.035 . 2 . . . . 25 Q HG3 . 15381 1
262 . 1 1 25 25 GLN CA C 13 59.131 0.4 . 1 . . . . 25 Q CA . 15381 1
263 . 1 1 25 25 GLN CB C 13 29.129 0.4 . 1 . . . . 25 Q CB . 15381 1
264 . 1 1 25 25 GLN CG C 13 34.581 0.4 . 1 . . . . 25 Q CG . 15381 1
265 . 1 1 25 25 GLN N N 15 120.689 0.4 . 1 . . . . 25 Q N . 15381 1
266 . 1 1 25 25 GLN NE2 N 15 111.443 0.4 . 1 . . . . 25 Q NE2 . 15381 1
267 . 1 1 26 26 LEU H H 1 8.423 0.035 . 1 . . . . 26 L HN . 15381 1
268 . 1 1 26 26 LEU HA H 1 3.467 0.035 . 1 . . . . 26 L HA . 15381 1
269 . 1 1 26 26 LEU HB2 H 1 0.949 0.035 . 2 . . . . 26 L HB2 . 15381 1
270 . 1 1 26 26 LEU HB3 H 1 1.570 0.035 . 2 . . . . 26 L HB3 . 15381 1
271 . 1 1 26 26 LEU HD11 H 1 0.584 0.035 . 1 . . . . 26 L QD1 . 15381 1
272 . 1 1 26 26 LEU HD12 H 1 0.584 0.035 . 1 . . . . 26 L QD1 . 15381 1
273 . 1 1 26 26 LEU HD13 H 1 0.584 0.035 . 1 . . . . 26 L QD1 . 15381 1
274 . 1 1 26 26 LEU HD21 H 1 0.505 0.035 . 1 . . . . 26 L QD2 . 15381 1
275 . 1 1 26 26 LEU HD22 H 1 0.505 0.035 . 1 . . . . 26 L QD2 . 15381 1
276 . 1 1 26 26 LEU HD23 H 1 0.505 0.035 . 1 . . . . 26 L QD2 . 15381 1
277 . 1 1 26 26 LEU HG H 1 1.775 0.035 . 1 . . . . 26 L HG . 15381 1
278 . 1 1 26 26 LEU CA C 13 57.355 0.4 . 1 . . . . 26 L CA . 15381 1
279 . 1 1 26 26 LEU CB C 13 41.098 0.4 . 1 . . . . 26 L CB . 15381 1
280 . 1 1 26 26 LEU CD1 C 13 26.865 0.4 . 1 . . . . 26 L CD1 . 15381 1
281 . 1 1 26 26 LEU CD2 C 13 24.434 0.4 . 1 . . . . 26 L CD2 . 15381 1
282 . 1 1 26 26 LEU CG C 13 26.713 0.4 . 1 . . . . 26 L CG . 15381 1
283 . 1 1 26 26 LEU N N 15 117.907 0.4 . 1 . . . . 26 L N . 15381 1
284 . 1 1 27 27 ASN H H 1 7.608 0.035 . 1 . . . . 27 N HN . 15381 1
285 . 1 1 27 27 ASN HA H 1 4.586 0.035 . 1 . . . . 27 N HA . 15381 1
286 . 1 1 27 27 ASN HB2 H 1 2.770 0.035 . 2 . . . . 27 N QB . 15381 1
287 . 1 1 27 27 ASN HB3 H 1 2.770 0.035 . 2 . . . . 27 N QB . 15381 1
288 . 1 1 27 27 ASN HD21 H 1 6.990 0.035 . 1 . . . . 27 N HD21 . 15381 1
289 . 1 1 27 27 ASN HD22 H 1 7.176 0.035 . 1 . . . . 27 N HD22 . 15381 1
290 . 1 1 27 27 ASN CA C 13 54.236 0.4 . 1 . . . . 27 N CA . 15381 1
291 . 1 1 27 27 ASN CB C 13 38.857 0.4 . 1 . . . . 27 N CB . 15381 1
292 . 1 1 27 27 ASN N N 15 113.646 0.4 . 1 . . . . 27 N N . 15381 1
293 . 1 1 27 27 ASN ND2 N 15 111.154 0.4 . 1 . . . . 27 N ND2 . 15381 1
294 . 1 1 28 28 ALA H H 1 7.182 0.035 . 1 . . . . 28 A HN . 15381 1
295 . 1 1 28 28 ALA HA H 1 4.476 0.035 . 1 . . . . 28 A HA . 15381 1
296 . 1 1 28 28 ALA HB1 H 1 1.417 0.035 . 1 . . . . 28 A QB . 15381 1
297 . 1 1 28 28 ALA HB2 H 1 1.417 0.035 . 1 . . . . 28 A QB . 15381 1
298 . 1 1 28 28 ALA HB3 H 1 1.417 0.035 . 1 . . . . 28 A QB . 15381 1
299 . 1 1 28 28 ALA CA C 13 51.664 0.4 . 1 . . . . 28 A CA . 15381 1
300 . 1 1 28 28 ALA CB C 13 19.156 0.4 . 1 . . . . 28 A CB . 15381 1
301 . 1 1 28 28 ALA N N 15 119.326 0.4 . 1 . . . . 28 A N . 15381 1
302 . 1 1 29 29 PHE H H 1 7.709 0.035 . 1 . . . . 29 F HN . 15381 1
303 . 1 1 29 29 PHE HA H 1 4.954 0.035 . 1 . . . . 29 F HA . 15381 1
304 . 1 1 29 29 PHE HB2 H 1 3.066 0.035 . 2 . . . . 29 F HB2 . 15381 1
305 . 1 1 29 29 PHE HB3 H 1 3.578 0.035 . 2 . . . . 29 F HB3 . 15381 1
306 . 1 1 29 29 PHE HD1 H 1 7.238 0.035 . 3 . . . . 29 F QD . 15381 1
307 . 1 1 29 29 PHE HD2 H 1 7.238 0.035 . 3 . . . . 29 F QD . 15381 1
308 . 1 1 29 29 PHE HE1 H 1 7.069 0.035 . 3 . . . . 29 F QE . 15381 1
309 . 1 1 29 29 PHE HE2 H 1 7.069 0.035 . 3 . . . . 29 F QE . 15381 1
310 . 1 1 29 29 PHE HZ H 1 6.995 0.035 . 1 . . . . 29 F HZ . 15381 1
311 . 1 1 29 29 PHE CA C 13 54.220 0.4 . 1 . . . . 29 F CA . 15381 1
312 . 1 1 29 29 PHE CB C 13 37.590 0.4 . 1 . . . . 29 F CB . 15381 1
313 . 1 1 29 29 PHE CD1 C 13 130.386 0.4 . 3 . . . . 29 F CD1 . 15381 1
314 . 1 1 29 29 PHE CD2 C 13 130.386 0.4 . 3 . . . . 29 F CD2 . 15381 1
315 . 1 1 29 29 PHE CE1 C 13 131.066 0.4 . 3 . . . . 29 F CE1 . 15381 1
316 . 1 1 29 29 PHE CE2 C 13 131.066 0.4 . 3 . . . . 29 F CE2 . 15381 1
317 . 1 1 29 29 PHE CZ C 13 129.027 0.4 . 1 . . . . 29 F CZ . 15381 1
318 . 1 1 29 29 PHE N N 15 123.584 0.4 . 1 . . . . 29 F N . 15381 1
319 . 1 1 30 30 PRO HA H 1 4.342 0.035 . 1 . . . . 30 P HA . 15381 1
320 . 1 1 30 30 PRO HB2 H 1 1.940 0.035 . 2 . . . . 30 P HB2 . 15381 1
321 . 1 1 30 30 PRO HB3 H 1 2.290 0.035 . 2 . . . . 30 P HB3 . 15381 1
322 . 1 1 30 30 PRO HD2 H 1 3.575 0.035 . 2 . . . . 30 P HD2 . 15381 1
323 . 1 1 30 30 PRO HD3 H 1 4.004 0.035 . 2 . . . . 30 P HD3 . 15381 1
324 . 1 1 30 30 PRO HG2 H 1 2.004 0.035 . 2 . . . . 30 P HG2 . 15381 1
325 . 1 1 30 30 PRO HG3 H 1 2.128 0.035 . 2 . . . . 30 P HG3 . 15381 1
326 . 1 1 30 30 PRO CA C 13 63.878 0.4 . 1 . . . . 30 P CA . 15381 1
327 . 1 1 30 30 PRO CB C 13 31.738 0.4 . 1 . . . . 30 P CB . 15381 1
328 . 1 1 30 30 PRO CD C 13 50.635 0.4 . 1 . . . . 30 P CD . 15381 1
329 . 1 1 30 30 PRO CG C 13 27.931 0.4 . 1 . . . . 30 P CG . 15381 1
330 . 1 1 31 31 GLY H H 1 8.832 0.035 . 1 . . . . 31 G HN . 15381 1
331 . 1 1 31 31 GLY HA2 H 1 3.960 0.035 . 2 . . . . 31 G HA1 . 15381 1
332 . 1 1 31 31 GLY HA3 H 1 4.410 0.035 . 2 . . . . 31 G HA2 . 15381 1
333 . 1 1 31 31 GLY CA C 13 46.087 0.4 . 1 . . . . 31 G CA . 15381 1
334 . 1 1 31 31 GLY N N 15 112.277 0.4 . 1 . . . . 31 G N . 15381 1
335 . 1 1 32 32 CYS H H 1 7.454 0.035 . 1 . . . . 32 C HN . 15381 1
336 . 1 1 32 32 CYS HA H 1 5.418 0.035 . 1 . . . . 32 C HA . 15381 1
337 . 1 1 32 32 CYS HB2 H 1 2.264 0.035 . 2 . . . . 32 C HB2 . 15381 1
338 . 1 1 32 32 CYS HB3 H 1 3.230 0.035 . 2 . . . . 32 C HB3 . 15381 1
339 . 1 1 32 32 CYS CA C 13 58.931 0.4 . 1 . . . . 32 C CA . 15381 1
340 . 1 1 32 32 CYS CB C 13 31.119 0.4 . 1 . . . . 32 C CB . 15381 1
341 . 1 1 32 32 CYS N N 15 116.177 0.4 . 1 . . . . 32 C N . 15381 1
342 . 1 1 33 33 GLU H H 1 8.538 0.035 . 1 . . . . 33 E HN . 15381 1
343 . 1 1 33 33 GLU HA H 1 4.646 0.035 . 1 . . . . 33 E HA . 15381 1
344 . 1 1 33 33 GLU HB2 H 1 1.876 0.035 . 2 . . . . 33 E QB . 15381 1
345 . 1 1 33 33 GLU HB3 H 1 1.876 0.035 . 2 . . . . 33 E QB . 15381 1
346 . 1 1 33 33 GLU HG2 H 1 1.973 0.035 . 2 . . . . 33 E HG2 . 15381 1
347 . 1 1 33 33 GLU HG3 H 1 2.166 0.035 . 2 . . . . 33 E HG3 . 15381 1
348 . 1 1 33 33 GLU CA C 13 55.543 0.4 . 1 . . . . 33 E CA . 15381 1
349 . 1 1 33 33 GLU CB C 13 33.373 0.4 . 1 . . . . 33 E CB . 15381 1
350 . 1 1 33 33 GLU CG C 13 36.175 0.4 . 1 . . . . 33 E CG . 15381 1
351 . 1 1 33 33 GLU N N 15 121.088 0.4 . 1 . . . . 33 E N . 15381 1
352 . 1 1 34 34 VAL H H 1 9.150 0.035 . 1 . . . . 34 V HN . 15381 1
353 . 1 1 34 34 VAL HA H 1 4.070 0.035 . 1 . . . . 34 V HA . 15381 1
354 . 1 1 34 34 VAL HB H 1 2.030 0.035 . 1 . . . . 34 V HB . 15381 1
355 . 1 1 34 34 VAL HG11 H 1 0.788 0.035 . 1 . . . . 34 V QG1 . 15381 1
356 . 1 1 34 34 VAL HG12 H 1 0.788 0.035 . 1 . . . . 34 V QG1 . 15381 1
357 . 1 1 34 34 VAL HG13 H 1 0.788 0.035 . 1 . . . . 34 V QG1 . 15381 1
358 . 1 1 34 34 VAL HG21 H 1 0.892 0.035 . 1 . . . . 34 V QG2 . 15381 1
359 . 1 1 34 34 VAL HG22 H 1 0.892 0.035 . 1 . . . . 34 V QG2 . 15381 1
360 . 1 1 34 34 VAL HG23 H 1 0.892 0.035 . 1 . . . . 34 V QG2 . 15381 1
361 . 1 1 34 34 VAL CA C 13 63.644 0.4 . 1 . . . . 34 V CA . 15381 1
362 . 1 1 34 34 VAL CB C 13 31.479 0.4 . 1 . . . . 34 V CB . 15381 1
363 . 1 1 34 34 VAL CG1 C 13 22.176 0.4 . 1 . . . . 34 V CG1 . 15381 1
364 . 1 1 34 34 VAL CG2 C 13 22.517 0.4 . 1 . . . . 34 V CG2 . 15381 1
365 . 1 1 34 34 VAL N N 15 127.412 0.4 . 1 . . . . 34 V N . 15381 1
366 . 1 1 35 35 ALA H H 1 8.974 0.035 . 1 . . . . 35 A HN . 15381 1
367 . 1 1 35 35 ALA HA H 1 4.395 0.035 . 1 . . . . 35 A HA . 15381 1
368 . 1 1 35 35 ALA HB1 H 1 1.309 0.035 . 1 . . . . 35 A QB . 15381 1
369 . 1 1 35 35 ALA HB2 H 1 1.309 0.035 . 1 . . . . 35 A QB . 15381 1
370 . 1 1 35 35 ALA HB3 H 1 1.309 0.035 . 1 . . . . 35 A QB . 15381 1
371 . 1 1 35 35 ALA CA C 13 53.299 0.4 . 1 . . . . 35 A CA . 15381 1
372 . 1 1 35 35 ALA CB C 13 20.519 0.4 . 1 . . . . 35 A CB . 15381 1
373 . 1 1 35 35 ALA N N 15 133.872 0.4 . 1 . . . . 35 A N . 15381 1
374 . 1 1 36 36 VAL H H 1 7.707 0.035 . 1 . . . . 36 V HN . 15381 1
375 . 1 1 36 36 VAL HA H 1 4.188 0.035 . 1 . . . . 36 V HA . 15381 1
376 . 1 1 36 36 VAL HB H 1 1.849 0.035 . 1 . . . . 36 V HB . 15381 1
377 . 1 1 36 36 VAL HG11 H 1 0.849 0.035 . 2 . . . . 36 V QG1 . 15381 1
378 . 1 1 36 36 VAL HG12 H 1 0.849 0.035 . 2 . . . . 36 V QG1 . 15381 1
379 . 1 1 36 36 VAL HG13 H 1 0.849 0.035 . 2 . . . . 36 V QG1 . 15381 1
380 . 1 1 36 36 VAL HG21 H 1 0.844 0.035 . 2 . . . . 36 V QG2 . 15381 1
381 . 1 1 36 36 VAL HG22 H 1 0.844 0.035 . 2 . . . . 36 V QG2 . 15381 1
382 . 1 1 36 36 VAL HG23 H 1 0.844 0.035 . 2 . . . . 36 V QG2 . 15381 1
383 . 1 1 36 36 VAL CA C 13 61.553 0.4 . 1 . . . . 36 V CA . 15381 1
384 . 1 1 36 36 VAL CB C 13 35.380 0.4 . 1 . . . . 36 V CB . 15381 1
385 . 1 1 36 36 VAL CG1 C 13 21.244 0.4 . 2 . . . . 36 V CG1 . 15381 1
386 . 1 1 36 36 VAL CG2 C 13 20.923 0.4 . 2 . . . . 36 V CG2 . 15381 1
387 . 1 1 36 36 VAL N N 15 116.561 0.4 . 1 . . . . 36 V N . 15381 1
388 . 1 1 37 37 SER H H 1 8.525 0.035 . 1 . . . . 37 S HN . 15381 1
389 . 1 1 37 37 SER HA H 1 4.661 0.035 . 1 . . . . 37 S HA . 15381 1
390 . 1 1 37 37 SER HB2 H 1 3.526 0.035 . 2 . . . . 37 S HB2 . 15381 1
391 . 1 1 37 37 SER HB3 H 1 3.612 0.035 . 2 . . . . 37 S HB3 . 15381 1
392 . 1 1 37 37 SER CA C 13 57.132 0.4 . 1 . . . . 37 S CA . 15381 1
393 . 1 1 37 37 SER CB C 13 64.497 0.4 . 1 . . . . 37 S CB . 15381 1
394 . 1 1 37 37 SER N N 15 120.474 0.4 . 1 . . . . 37 S N . 15381 1
395 . 1 1 38 38 ASP H H 1 8.570 0.035 . 1 . . . . 38 D HN . 15381 1
396 . 1 1 38 38 ASP HA H 1 4.890 0.035 . 1 . . . . 38 D HA . 15381 1
397 . 1 1 38 38 ASP HB2 H 1 2.340 0.035 . 2 . . . . 38 D HB2 . 15381 1
398 . 1 1 38 38 ASP HB3 H 1 2.768 0.035 . 2 . . . . 38 D HB3 . 15381 1
399 . 1 1 38 38 ASP CA C 13 53.027 0.4 . 1 . . . . 38 D CA . 15381 1
400 . 1 1 38 38 ASP CB C 13 42.007 0.4 . 1 . . . . 38 D CB . 15381 1
401 . 1 1 38 38 ASP N N 15 125.327 0.4 . 1 . . . . 38 D N . 15381 1
402 . 1 1 39 39 ALA H H 1 8.950 0.035 . 1 . . . . 39 A HN . 15381 1
403 . 1 1 39 39 ALA HA H 1 4.214 0.035 . 1 . . . . 39 A HA . 15381 1
404 . 1 1 39 39 ALA HB1 H 1 1.445 0.035 . 1 . . . . 39 A QB . 15381 1
405 . 1 1 39 39 ALA HB2 H 1 1.445 0.035 . 1 . . . . 39 A QB . 15381 1
406 . 1 1 39 39 ALA HB3 H 1 1.445 0.035 . 1 . . . . 39 A QB . 15381 1
407 . 1 1 39 39 ALA CA C 13 56.282 0.4 . 1 . . . . 39 A CA . 15381 1
408 . 1 1 39 39 ALA CB C 13 15.911 0.4 . 1 . . . . 39 A CB . 15381 1
409 . 1 1 39 39 ALA N N 15 127.215 0.4 . 1 . . . . 39 A N . 15381 1
410 . 1 1 40 40 PRO HA H 1 4.256 0.035 . 1 . . . . 40 P HA . 15381 1
411 . 1 1 40 40 PRO HB2 H 1 1.848 0.035 . 2 . . . . 40 P HB2 . 15381 1
412 . 1 1 40 40 PRO HB3 H 1 2.299 0.035 . 2 . . . . 40 P HB3 . 15381 1
413 . 1 1 40 40 PRO HD2 H 1 3.714 0.035 . 2 . . . . 40 P HD2 . 15381 1
414 . 1 1 40 40 PRO HD3 H 1 3.853 0.035 . 2 . . . . 40 P HD3 . 15381 1
415 . 1 1 40 40 PRO HG2 H 1 1.896 0.035 . 2 . . . . 40 P HG2 . 15381 1
416 . 1 1 40 40 PRO HG3 H 1 2.116 0.035 . 2 . . . . 40 P HG3 . 15381 1
417 . 1 1 40 40 PRO CA C 13 66.180 0.4 . 1 . . . . 40 P CA . 15381 1
418 . 1 1 40 40 PRO CB C 13 31.211 0.4 . 1 . . . . 40 P CB . 15381 1
419 . 1 1 40 40 PRO CD C 13 50.478 0.4 . 1 . . . . 40 P CD . 15381 1
420 . 1 1 40 40 PRO CG C 13 28.291 0.4 . 1 . . . . 40 P CG . 15381 1
421 . 1 1 41 41 SER H H 1 7.393 0.035 . 1 . . . . 41 S HN . 15381 1
422 . 1 1 41 41 SER HA H 1 4.462 0.035 . 1 . . . . 41 S HA . 15381 1
423 . 1 1 41 41 SER HB2 H 1 3.803 0.035 . 2 . . . . 41 S QB . 15381 1
424 . 1 1 41 41 SER HB3 H 1 3.803 0.035 . 2 . . . . 41 S QB . 15381 1
425 . 1 1 41 41 SER CA C 13 58.442 0.4 . 1 . . . . 41 S CA . 15381 1
426 . 1 1 41 41 SER CB C 13 63.784 0.4 . 1 . . . . 41 S CB . 15381 1
427 . 1 1 41 41 SER N N 15 109.128 0.4 . 1 . . . . 41 S N . 15381 1
428 . 1 1 42 42 GLY H H 1 8.255 0.035 . 1 . . . . 42 G HN . 15381 1
429 . 1 1 42 42 GLY HA2 H 1 3.508 0.035 . 2 . . . . 42 G HA1 . 15381 1
430 . 1 1 42 42 GLY HA3 H 1 4.173 0.035 . 2 . . . . 42 G HA2 . 15381 1
431 . 1 1 42 42 GLY CA C 13 46.542 0.4 . 1 . . . . 42 G CA . 15381 1
432 . 1 1 42 42 GLY N N 15 112.601 0.4 . 1 . . . . 42 G N . 15381 1
433 . 1 1 43 43 GLN H H 1 7.647 0.035 . 1 . . . . 43 Q HN . 15381 1
434 . 1 1 43 43 GLN HA H 1 5.374 0.035 . 1 . . . . 43 Q HA . 15381 1
435 . 1 1 43 43 GLN HB2 H 1 1.735 0.035 . 2 . . . . 43 Q HB2 . 15381 1
436 . 1 1 43 43 GLN HB3 H 1 1.821 0.035 . 2 . . . . 43 Q HB3 . 15381 1
437 . 1 1 43 43 GLN HE21 H 1 6.621 0.035 . 1 . . . . 43 Q HE21 . 15381 1
438 . 1 1 43 43 GLN HE22 H 1 7.334 0.035 . 1 . . . . 43 Q HE22 . 15381 1
439 . 1 1 43 43 GLN HG2 H 1 1.953 0.035 . 2 . . . . 43 Q HG2 . 15381 1
440 . 1 1 43 43 GLN HG3 H 1 2.160 0.035 . 2 . . . . 43 Q HG3 . 15381 1
441 . 1 1 43 43 GLN CA C 13 54.752 0.4 . 1 . . . . 43 Q CA . 15381 1
442 . 1 1 43 43 GLN CB C 13 33.228 0.4 . 1 . . . . 43 Q CB . 15381 1
443 . 1 1 43 43 GLN CG C 13 34.756 0.4 . 1 . . . . 43 Q CG . 15381 1
444 . 1 1 43 43 GLN N N 15 116.613 0.4 . 1 . . . . 43 Q N . 15381 1
445 . 1 1 43 43 GLN NE2 N 15 110.113 0.4 . 1 . . . . 43 Q NE2 . 15381 1
446 . 1 1 44 44 LEU H H 1 8.943 0.035 . 1 . . . . 44 L HN . 15381 1
447 . 1 1 44 44 LEU HA H 1 4.935 0.035 . 1 . . . . 44 L HA . 15381 1
448 . 1 1 44 44 LEU HB2 H 1 1.462 0.035 . 2 . . . . 44 L QB . 15381 1
449 . 1 1 44 44 LEU HB3 H 1 1.462 0.035 . 2 . . . . 44 L QB . 15381 1
450 . 1 1 44 44 LEU HD11 H 1 0.633 0.035 . 1 . . . . 44 L QD1 . 15381 1
451 . 1 1 44 44 LEU HD12 H 1 0.633 0.035 . 1 . . . . 44 L QD1 . 15381 1
452 . 1 1 44 44 LEU HD13 H 1 0.633 0.035 . 1 . . . . 44 L QD1 . 15381 1
453 . 1 1 44 44 LEU HD21 H 1 0.755 0.035 . 1 . . . . 44 L QD2 . 15381 1
454 . 1 1 44 44 LEU HD22 H 1 0.755 0.035 . 1 . . . . 44 L QD2 . 15381 1
455 . 1 1 44 44 LEU HD23 H 1 0.755 0.035 . 1 . . . . 44 L QD2 . 15381 1
456 . 1 1 44 44 LEU HG H 1 1.493 0.035 . 1 . . . . 44 L HG . 15381 1
457 . 1 1 44 44 LEU CA C 13 53.888 0.4 . 1 . . . . 44 L CA . 15381 1
458 . 1 1 44 44 LEU CB C 13 45.417 0.4 . 1 . . . . 44 L CB . 15381 1
459 . 1 1 44 44 LEU CD1 C 13 26.856 0.4 . 1 . . . . 44 L CD1 . 15381 1
460 . 1 1 44 44 LEU CD2 C 13 26.377 0.4 . 1 . . . . 44 L CD2 . 15381 1
461 . 1 1 44 44 LEU CG C 13 27.174 0.4 . 1 . . . . 44 L CG . 15381 1
462 . 1 1 44 44 LEU N N 15 121.818 0.4 . 1 . . . . 44 L N . 15381 1
463 . 1 1 45 45 ILE H H 1 8.702 0.035 . 1 . . . . 45 I HN . 15381 1
464 . 1 1 45 45 ILE HA H 1 5.124 0.035 . 1 . . . . 45 I HA . 15381 1
465 . 1 1 45 45 ILE HB H 1 1.705 0.035 . 1 . . . . 45 I HB . 15381 1
466 . 1 1 45 45 ILE HD11 H 1 0.732 0.035 . 1 . . . . 45 I QD1 . 15381 1
467 . 1 1 45 45 ILE HD12 H 1 0.732 0.035 . 1 . . . . 45 I QD1 . 15381 1
468 . 1 1 45 45 ILE HD13 H 1 0.732 0.035 . 1 . . . . 45 I QD1 . 15381 1
469 . 1 1 45 45 ILE HG12 H 1 1.119 0.035 . 2 . . . . 45 I HG12 . 15381 1
470 . 1 1 45 45 ILE HG13 H 1 1.414 0.035 . 2 . . . . 45 I HG13 . 15381 1
471 . 1 1 45 45 ILE HG21 H 1 0.761 0.035 . 1 . . . . 45 I QG2 . 15381 1
472 . 1 1 45 45 ILE HG22 H 1 0.761 0.035 . 1 . . . . 45 I QG2 . 15381 1
473 . 1 1 45 45 ILE HG23 H 1 0.761 0.035 . 1 . . . . 45 I QG2 . 15381 1
474 . 1 1 45 45 ILE CA C 13 59.894 0.4 . 1 . . . . 45 I CA . 15381 1
475 . 1 1 45 45 ILE CB C 13 38.897 0.4 . 1 . . . . 45 I CB . 15381 1
476 . 1 1 45 45 ILE CD1 C 13 12.082 0.4 . 1 . . . . 45 I CD1 . 15381 1
477 . 1 1 45 45 ILE CG1 C 13 27.193 0.4 . 1 . . . . 45 I CG1 . 15381 1
478 . 1 1 45 45 ILE CG2 C 13 16.885 0.4 . 1 . . . . 45 I CG2 . 15381 1
479 . 1 1 45 45 ILE N N 15 121.357 0.4 . 1 . . . . 45 I N . 15381 1
480 . 1 1 46 46 VAL H H 1 9.146 0.035 . 1 . . . . 46 V HN . 15381 1
481 . 1 1 46 46 VAL HA H 1 4.766 0.035 . 1 . . . . 46 V HA . 15381 1
482 . 1 1 46 46 VAL HB H 1 1.833 0.035 . 1 . . . . 46 V HB . 15381 1
483 . 1 1 46 46 VAL HG11 H 1 0.748 0.035 . 1 . . . . 46 V QG1 . 15381 1
484 . 1 1 46 46 VAL HG12 H 1 0.748 0.035 . 1 . . . . 46 V QG1 . 15381 1
485 . 1 1 46 46 VAL HG13 H 1 0.748 0.035 . 1 . . . . 46 V QG1 . 15381 1
486 . 1 1 46 46 VAL HG21 H 1 0.764 0.035 . 1 . . . . 46 V QG2 . 15381 1
487 . 1 1 46 46 VAL HG22 H 1 0.764 0.035 . 1 . . . . 46 V QG2 . 15381 1
488 . 1 1 46 46 VAL HG23 H 1 0.764 0.035 . 1 . . . . 46 V QG2 . 15381 1
489 . 1 1 46 46 VAL CA C 13 59.758 0.4 . 1 . . . . 46 V CA . 15381 1
490 . 1 1 46 46 VAL CB C 13 35.278 0.4 . 1 . . . . 46 V CB . 15381 1
491 . 1 1 46 46 VAL CG1 C 13 21.247 0.4 . 1 . . . . 46 V CG1 . 15381 1
492 . 1 1 46 46 VAL CG2 C 13 22.537 0.4 . 1 . . . . 46 V CG2 . 15381 1
493 . 1 1 46 46 VAL N N 15 127.880 0.4 . 1 . . . . 46 V N . 15381 1
494 . 1 1 47 47 VAL H H 1 9.089 0.035 . 1 . . . . 47 V HN . 15381 1
495 . 1 1 47 47 VAL HA H 1 4.538 0.035 . 1 . . . . 47 V HA . 15381 1
496 . 1 1 47 47 VAL HB H 1 1.966 0.035 . 1 . . . . 47 V HB . 15381 1
497 . 1 1 47 47 VAL HG11 H 1 0.828 0.035 . 1 . . . . 47 V QG1 . 15381 1
498 . 1 1 47 47 VAL HG12 H 1 0.828 0.035 . 1 . . . . 47 V QG1 . 15381 1
499 . 1 1 47 47 VAL HG13 H 1 0.828 0.035 . 1 . . . . 47 V QG1 . 15381 1
500 . 1 1 47 47 VAL HG21 H 1 0.887 0.035 . 1 . . . . 47 V QG2 . 15381 1
501 . 1 1 47 47 VAL HG22 H 1 0.887 0.035 . 1 . . . . 47 V QG2 . 15381 1
502 . 1 1 47 47 VAL HG23 H 1 0.887 0.035 . 1 . . . . 47 V QG2 . 15381 1
503 . 1 1 47 47 VAL CA C 13 62.422 0.4 . 1 . . . . 47 V CA . 15381 1
504 . 1 1 47 47 VAL CB C 13 32.877 0.4 . 1 . . . . 47 V CB . 15381 1
505 . 1 1 47 47 VAL CG1 C 13 21.215 0.4 . 1 . . . . 47 V CG1 . 15381 1
506 . 1 1 47 47 VAL CG2 C 13 21.238 0.4 . 1 . . . . 47 V CG2 . 15381 1
507 . 1 1 47 47 VAL N N 15 128.815 0.4 . 1 . . . . 47 V N . 15381 1
508 . 1 1 48 48 VAL H H 1 8.873 0.035 . 1 . . . . 48 V HN . 15381 1
509 . 1 1 48 48 VAL HA H 1 5.021 0.035 . 1 . . . . 48 V HA . 15381 1
510 . 1 1 48 48 VAL HB H 1 1.876 0.035 . 1 . . . . 48 V HB . 15381 1
511 . 1 1 48 48 VAL HG11 H 1 0.781 0.035 . 1 . . . . 48 V QG1 . 15381 1
512 . 1 1 48 48 VAL HG12 H 1 0.781 0.035 . 1 . . . . 48 V QG1 . 15381 1
513 . 1 1 48 48 VAL HG13 H 1 0.781 0.035 . 1 . . . . 48 V QG1 . 15381 1
514 . 1 1 48 48 VAL HG21 H 1 0.801 0.035 . 1 . . . . 48 V QG2 . 15381 1
515 . 1 1 48 48 VAL HG22 H 1 0.801 0.035 . 1 . . . . 48 V QG2 . 15381 1
516 . 1 1 48 48 VAL HG23 H 1 0.801 0.035 . 1 . . . . 48 V QG2 . 15381 1
517 . 1 1 48 48 VAL CA C 13 60.300 0.4 . 1 . . . . 48 V CA . 15381 1
518 . 1 1 48 48 VAL CB C 13 34.554 0.4 . 1 . . . . 48 V CB . 15381 1
519 . 1 1 48 48 VAL CG1 C 13 21.878 0.4 . 1 . . . . 48 V CG1 . 15381 1
520 . 1 1 48 48 VAL CG2 C 13 21.243 0.4 . 1 . . . . 48 V CG2 . 15381 1
521 . 1 1 48 48 VAL N N 15 127.821 0.4 . 1 . . . . 48 V N . 15381 1
522 . 1 1 49 49 GLU H H 1 8.873 0.035 . 1 . . . . 49 E HN . 15381 1
523 . 1 1 49 49 GLU HA H 1 5.416 0.035 . 1 . . . . 49 E HA . 15381 1
524 . 1 1 49 49 GLU HB2 H 1 2.021 0.035 . 2 . . . . 49 E QB . 15381 1
525 . 1 1 49 49 GLU HB3 H 1 2.021 0.035 . 2 . . . . 49 E QB . 15381 1
526 . 1 1 49 49 GLU HG2 H 1 2.340 0.035 . 2 . . . . 49 E QG . 15381 1
527 . 1 1 49 49 GLU HG3 H 1 2.340 0.035 . 2 . . . . 49 E QG . 15381 1
528 . 1 1 49 49 GLU CA C 13 53.827 0.4 . 1 . . . . 49 E CA . 15381 1
529 . 1 1 49 49 GLU CB C 13 32.801 0.4 . 1 . . . . 49 E CB . 15381 1
530 . 1 1 49 49 GLU CG C 13 35.851 0.4 . 1 . . . . 49 E CG . 15381 1
531 . 1 1 49 49 GLU N N 15 124.353 0.4 . 1 . . . . 49 E N . 15381 1
532 . 1 1 50 50 ALA H H 1 8.783 0.035 . 1 . . . . 50 A HN . 15381 1
533 . 1 1 50 50 ALA HA H 1 4.422 0.035 . 1 . . . . 50 A HA . 15381 1
534 . 1 1 50 50 ALA HB1 H 1 1.228 0.035 . 1 . . . . 50 A QB . 15381 1
535 . 1 1 50 50 ALA HB2 H 1 1.228 0.035 . 1 . . . . 50 A QB . 15381 1
536 . 1 1 50 50 ALA HB3 H 1 1.228 0.035 . 1 . . . . 50 A QB . 15381 1
537 . 1 1 50 50 ALA CA C 13 51.107 0.4 . 1 . . . . 50 A CA . 15381 1
538 . 1 1 50 50 ALA CB C 13 23.080 0.4 . 1 . . . . 50 A CB . 15381 1
539 . 1 1 50 50 ALA N N 15 122.886 0.4 . 1 . . . . 50 A N . 15381 1
540 . 1 1 51 51 GLU H H 1 8.521 0.035 . 1 . . . . 51 E HN . 15381 1
541 . 1 1 51 51 GLU HA H 1 3.118 0.035 . 1 . . . . 51 E HA . 15381 1
542 . 1 1 51 51 GLU HB2 H 1 1.412 0.035 . 2 . . . . 51 E HB2 . 15381 1
543 . 1 1 51 51 GLU HB3 H 1 1.495 0.035 . 2 . . . . 51 E HB3 . 15381 1
544 . 1 1 51 51 GLU HG2 H 1 1.744 0.035 . 2 . . . . 51 E HG2 . 15381 1
545 . 1 1 51 51 GLU HG3 H 1 1.816 0.035 . 2 . . . . 51 E HG3 . 15381 1
546 . 1 1 51 51 GLU CA C 13 58.091 0.4 . 1 . . . . 51 E CA . 15381 1
547 . 1 1 51 51 GLU CB C 13 30.108 0.4 . 1 . . . . 51 E CB . 15381 1
548 . 1 1 51 51 GLU CG C 13 36.161 0.4 . 1 . . . . 51 E CG . 15381 1
549 . 1 1 51 51 GLU N N 15 119.284 0.4 . 1 . . . . 51 E N . 15381 1
550 . 1 1 52 52 ASP H H 1 7.165 0.035 . 1 . . . . 52 D HN . 15381 1
551 . 1 1 52 52 ASP HA H 1 4.592 0.035 . 1 . . . . 52 D HA . 15381 1
552 . 1 1 52 52 ASP HB2 H 1 2.750 0.035 . 2 . . . . 52 D HB2 . 15381 1
553 . 1 1 52 52 ASP HB3 H 1 2.940 0.035 . 2 . . . . 52 D HB3 . 15381 1
554 . 1 1 52 52 ASP CA C 13 52.215 0.4 . 1 . . . . 52 D CA . 15381 1
555 . 1 1 52 52 ASP CB C 13 42.851 0.4 . 1 . . . . 52 D CB . 15381 1
556 . 1 1 52 52 ASP N N 15 111.639 0.4 . 1 . . . . 52 D N . 15381 1
557 . 1 1 53 53 SER H H 1 8.692 0.035 . 1 . . . . 53 S HN . 15381 1
558 . 1 1 53 53 SER HA H 1 3.966 0.035 . 1 . . . . 53 S HA . 15381 1
559 . 1 1 53 53 SER HB2 H 1 3.827 0.035 . 2 . . . . 53 S QB . 15381 1
560 . 1 1 53 53 SER HB3 H 1 3.827 0.035 . 2 . . . . 53 S QB . 15381 1
561 . 1 1 53 53 SER CA C 13 61.902 0.4 . 1 . . . . 53 S CA . 15381 1
562 . 1 1 53 53 SER CB C 13 62.965 0.4 . 1 . . . . 53 S CB . 15381 1
563 . 1 1 53 53 SER N N 15 115.722 0.4 . 1 . . . . 53 S N . 15381 1
564 . 1 1 54 54 GLU H H 1 8.553 0.035 . 1 . . . . 54 E HN . 15381 1
565 . 1 1 54 54 GLU HA H 1 3.937 0.035 . 1 . . . . 54 E HA . 15381 1
566 . 1 1 54 54 GLU HB2 H 1 1.882 0.035 . 2 . . . . 54 E HB2 . 15381 1
567 . 1 1 54 54 GLU HB3 H 1 2.011 0.035 . 2 . . . . 54 E HB3 . 15381 1
568 . 1 1 54 54 GLU HG2 H 1 2.209 0.035 . 2 . . . . 54 E HG2 . 15381 1
569 . 1 1 54 54 GLU HG3 H 1 2.247 0.035 . 2 . . . . 54 E HG3 . 15381 1
570 . 1 1 54 54 GLU CA C 13 60.064 0.4 . 1 . . . . 54 E CA . 15381 1
571 . 1 1 54 54 GLU CB C 13 28.915 0.4 . 1 . . . . 54 E CB . 15381 1
572 . 1 1 54 54 GLU CG C 13 36.787 0.4 . 1 . . . . 54 E CG . 15381 1
573 . 1 1 54 54 GLU N N 15 122.394 0.4 . 1 . . . . 54 E N . 15381 1
574 . 1 1 55 55 THR H H 1 8.494 0.035 . 1 . . . . 55 T HN . 15381 1
575 . 1 1 55 55 THR HA H 1 3.848 0.035 . 1 . . . . 55 T HA . 15381 1
576 . 1 1 55 55 THR HB H 1 3.963 0.035 . 1 . . . . 55 T HB . 15381 1
577 . 1 1 55 55 THR HG21 H 1 1.205 0.035 . 1 . . . . 55 T QG2 . 15381 1
578 . 1 1 55 55 THR HG22 H 1 1.205 0.035 . 1 . . . . 55 T QG2 . 15381 1
579 . 1 1 55 55 THR HG23 H 1 1.205 0.035 . 1 . . . . 55 T QG2 . 15381 1
580 . 1 1 55 55 THR CA C 13 66.336 0.4 . 1 . . . . 55 T CA . 15381 1
581 . 1 1 55 55 THR CB C 13 67.889 0.4 . 1 . . . . 55 T CB . 15381 1
582 . 1 1 55 55 THR CG2 C 13 21.702 0.4 . 1 . . . . 55 T CG2 . 15381 1
583 . 1 1 55 55 THR N N 15 116.925 0.4 . 1 . . . . 55 T N . 15381 1
584 . 1 1 56 56 LEU H H 1 7.644 0.035 . 1 . . . . 56 L HN . 15381 1
585 . 1 1 56 56 LEU HA H 1 3.711 0.035 . 1 . . . . 56 L HA . 15381 1
586 . 1 1 56 56 LEU HB2 H 1 1.345 0.035 . 2 . . . . 56 L HB2 . 15381 1
587 . 1 1 56 56 LEU HB3 H 1 2.003 0.035 . 2 . . . . 56 L HB3 . 15381 1
588 . 1 1 56 56 LEU HD11 H 1 0.720 0.035 . 1 . . . . 56 L QD1 . 15381 1
589 . 1 1 56 56 LEU HD12 H 1 0.720 0.035 . 1 . . . . 56 L QD1 . 15381 1
590 . 1 1 56 56 LEU HD13 H 1 0.720 0.035 . 1 . . . . 56 L QD1 . 15381 1
591 . 1 1 56 56 LEU HD21 H 1 0.803 0.035 . 1 . . . . 56 L QD2 . 15381 1
592 . 1 1 56 56 LEU HD22 H 1 0.803 0.035 . 1 . . . . 56 L QD2 . 15381 1
593 . 1 1 56 56 LEU HD23 H 1 0.803 0.035 . 1 . . . . 56 L QD2 . 15381 1
594 . 1 1 56 56 LEU HG H 1 1.433 0.035 . 1 . . . . 56 L HG . 15381 1
595 . 1 1 56 56 LEU CA C 13 59.172 0.4 . 1 . . . . 56 L CA . 15381 1
596 . 1 1 56 56 LEU CB C 13 41.811 0.4 . 1 . . . . 56 L CB . 15381 1
597 . 1 1 56 56 LEU CD1 C 13 23.959 0.4 . 1 . . . . 56 L CD1 . 15381 1
598 . 1 1 56 56 LEU CD2 C 13 25.890 0.4 . 1 . . . . 56 L CD2 . 15381 1
599 . 1 1 56 56 LEU CG C 13 26.826 0.4 . 1 . . . . 56 L CG . 15381 1
600 . 1 1 56 56 LEU N N 15 124.682 0.4 . 1 . . . . 56 L N . 15381 1
601 . 1 1 57 57 ILE H H 1 7.992 0.035 . 1 . . . . 57 I HN . 15381 1
602 . 1 1 57 57 ILE HA H 1 3.568 0.035 . 1 . . . . 57 I HA . 15381 1
603 . 1 1 57 57 ILE HB H 1 1.912 0.035 . 1 . . . . 57 I HB . 15381 1
604 . 1 1 57 57 ILE HD11 H 1 0.771 0.035 . 1 . . . . 57 I QD1 . 15381 1
605 . 1 1 57 57 ILE HD12 H 1 0.771 0.035 . 1 . . . . 57 I QD1 . 15381 1
606 . 1 1 57 57 ILE HD13 H 1 0.771 0.035 . 1 . . . . 57 I QD1 . 15381 1
607 . 1 1 57 57 ILE HG12 H 1 1.253 0.035 . 2 . . . . 57 I HG12 . 15381 1
608 . 1 1 57 57 ILE HG13 H 1 1.596 0.035 . 2 . . . . 57 I HG13 . 15381 1
609 . 1 1 57 57 ILE HG21 H 1 0.884 0.035 . 1 . . . . 57 I QG2 . 15381 1
610 . 1 1 57 57 ILE HG22 H 1 0.884 0.035 . 1 . . . . 57 I QG2 . 15381 1
611 . 1 1 57 57 ILE HG23 H 1 0.884 0.035 . 1 . . . . 57 I QG2 . 15381 1
612 . 1 1 57 57 ILE CA C 13 64.816 0.4 . 1 . . . . 57 I CA . 15381 1
613 . 1 1 57 57 ILE CB C 13 37.678 0.4 . 1 . . . . 57 I CB . 15381 1
614 . 1 1 57 57 ILE CD1 C 13 12.409 0.4 . 1 . . . . 57 I CD1 . 15381 1
615 . 1 1 57 57 ILE CG1 C 13 29.268 0.4 . 1 . . . . 57 I CG1 . 15381 1
616 . 1 1 57 57 ILE CG2 C 13 17.388 0.4 . 1 . . . . 57 I CG2 . 15381 1
617 . 1 1 57 57 ILE N N 15 117.933 0.4 . 1 . . . . 57 I N . 15381 1
618 . 1 1 58 58 GLN H H 1 7.753 0.035 . 1 . . . . 58 Q HN . 15381 1
619 . 1 1 58 58 GLN HA H 1 4.009 0.035 . 1 . . . . 58 Q HA . 15381 1
620 . 1 1 58 58 GLN HB2 H 1 2.129 0.035 . 2 . . . . 58 Q QB . 15381 1
621 . 1 1 58 58 GLN HB3 H 1 2.129 0.035 . 2 . . . . 58 Q QB . 15381 1
622 . 1 1 58 58 GLN HG2 H 1 2.351 0.035 . 2 . . . . 58 Q HG2 . 15381 1
623 . 1 1 58 58 GLN HG3 H 1 2.437 0.035 . 2 . . . . 58 Q HG3 . 15381 1
624 . 1 1 58 58 GLN CA C 13 58.814 0.4 . 1 . . . . 58 Q CA . 15381 1
625 . 1 1 58 58 GLN CB C 13 28.356 0.4 . 1 . . . . 58 Q CB . 15381 1
626 . 1 1 58 58 GLN CG C 13 33.952 0.4 . 1 . . . . 58 Q CG . 15381 1
627 . 1 1 58 58 GLN N N 15 119.348 0.4 . 1 . . . . 58 Q N . 15381 1
628 . 1 1 59 59 THR H H 1 8.390 0.035 . 1 . . . . 59 T HN . 15381 1
629 . 1 1 59 59 THR HA H 1 3.754 0.035 . 1 . . . . 59 T HA . 15381 1
630 . 1 1 59 59 THR HB H 1 4.282 0.035 . 1 . . . . 59 T HB . 15381 1
631 . 1 1 59 59 THR HG21 H 1 1.067 0.035 . 1 . . . . 59 T QG2 . 15381 1
632 . 1 1 59 59 THR HG22 H 1 1.067 0.035 . 1 . . . . 59 T QG2 . 15381 1
633 . 1 1 59 59 THR HG23 H 1 1.067 0.035 . 1 . . . . 59 T QG2 . 15381 1
634 . 1 1 59 59 THR CA C 13 67.194 0.4 . 1 . . . . 59 T CA . 15381 1
635 . 1 1 59 59 THR CB C 13 68.183 0.4 . 1 . . . . 59 T CB . 15381 1
636 . 1 1 59 59 THR CG2 C 13 22.214 0.4 . 1 . . . . 59 T CG2 . 15381 1
637 . 1 1 59 59 THR N N 15 119.195 0.4 . 1 . . . . 59 T N . 15381 1
638 . 1 1 60 60 ILE H H 1 8.347 0.035 . 1 . . . . 60 I HN . 15381 1
639 . 1 1 60 60 ILE HA H 1 3.237 0.035 . 1 . . . . 60 I HA . 15381 1
640 . 1 1 60 60 ILE HB H 1 1.849 0.035 . 1 . . . . 60 I HB . 15381 1
641 . 1 1 60 60 ILE HD11 H 1 0.733 0.035 . 1 . . . . 60 I QD1 . 15381 1
642 . 1 1 60 60 ILE HD12 H 1 0.733 0.035 . 1 . . . . 60 I QD1 . 15381 1
643 . 1 1 60 60 ILE HD13 H 1 0.733 0.035 . 1 . . . . 60 I QD1 . 15381 1
644 . 1 1 60 60 ILE HG12 H 1 0.744 0.035 . 2 . . . . 60 I HG12 . 15381 1
645 . 1 1 60 60 ILE HG13 H 1 1.793 0.035 . 2 . . . . 60 I HG13 . 15381 1
646 . 1 1 60 60 ILE HG21 H 1 0.752 0.035 . 1 . . . . 60 I QG2 . 15381 1
647 . 1 1 60 60 ILE HG22 H 1 0.752 0.035 . 1 . . . . 60 I QG2 . 15381 1
648 . 1 1 60 60 ILE HG23 H 1 0.752 0.035 . 1 . . . . 60 I QG2 . 15381 1
649 . 1 1 60 60 ILE CA C 13 67.042 0.4 . 1 . . . . 60 I CA . 15381 1
650 . 1 1 60 60 ILE CB C 13 37.753 0.4 . 1 . . . . 60 I CB . 15381 1
651 . 1 1 60 60 ILE CD1 C 13 14.304 0.4 . 1 . . . . 60 I CD1 . 15381 1
652 . 1 1 60 60 ILE CG1 C 13 29.422 0.4 . 1 . . . . 60 I CG1 . 15381 1
653 . 1 1 60 60 ILE CG2 C 13 17.045 0.4 . 1 . . . . 60 I CG2 . 15381 1
654 . 1 1 60 60 ILE N N 15 122.491 0.4 . 1 . . . . 60 I N . 15381 1
655 . 1 1 61 61 GLU H H 1 7.955 0.035 . 1 . . . . 61 E HN . 15381 1
656 . 1 1 61 61 GLU HA H 1 3.926 0.035 . 1 . . . . 61 E HA . 15381 1
657 . 1 1 61 61 GLU HB2 H 1 1.994 0.035 . 2 . . . . 61 E HB2 . 15381 1
658 . 1 1 61 61 GLU HB3 H 1 2.026 0.035 . 2 . . . . 61 E HB3 . 15381 1
659 . 1 1 61 61 GLU CA C 13 59.208 0.4 . 1 . . . . 61 E CA . 15381 1
660 . 1 1 61 61 GLU CB C 13 28.795 0.4 . 1 . . . . 61 E CB . 15381 1
661 . 1 1 61 61 GLU N N 15 118.471 0.4 . 1 . . . . 61 E N . 15381 1
662 . 1 1 62 62 SER H H 1 7.972 0.035 . 1 . . . . 62 S HN . 15381 1
663 . 1 1 62 62 SER HA H 1 4.105 0.035 . 1 . . . . 62 S HA . 15381 1
664 . 1 1 62 62 SER HB2 H 1 3.479 0.035 . 2 . . . . 62 S HB2 . 15381 1
665 . 1 1 62 62 SER HB3 H 1 3.857 0.035 . 2 . . . . 62 S HB3 . 15381 1
666 . 1 1 62 62 SER CA C 13 62.280 0.4 . 1 . . . . 62 S CA . 15381 1
667 . 1 1 62 62 SER CB C 13 62.479 0.4 . 1 . . . . 62 S CB . 15381 1
668 . 1 1 62 62 SER N N 15 115.878 0.4 . 1 . . . . 62 S N . 15381 1
669 . 1 1 63 63 VAL H H 1 8.003 0.035 . 1 . . . . 63 V HN . 15381 1
670 . 1 1 63 63 VAL HA H 1 3.487 0.035 . 1 . . . . 63 V HA . 15381 1
671 . 1 1 63 63 VAL HB H 1 2.240 0.035 . 1 . . . . 63 V HB . 15381 1
672 . 1 1 63 63 VAL HG11 H 1 0.740 0.035 . 1 . . . . 63 V QG1 . 15381 1
673 . 1 1 63 63 VAL HG12 H 1 0.740 0.035 . 1 . . . . 63 V QG1 . 15381 1
674 . 1 1 63 63 VAL HG13 H 1 0.740 0.035 . 1 . . . . 63 V QG1 . 15381 1
675 . 1 1 63 63 VAL HG21 H 1 0.899 0.035 . 1 . . . . 63 V QG2 . 15381 1
676 . 1 1 63 63 VAL HG22 H 1 0.899 0.035 . 1 . . . . 63 V QG2 . 15381 1
677 . 1 1 63 63 VAL HG23 H 1 0.899 0.035 . 1 . . . . 63 V QG2 . 15381 1
678 . 1 1 63 63 VAL CA C 13 67.008 0.4 . 1 . . . . 63 V CA . 15381 1
679 . 1 1 63 63 VAL CB C 13 31.077 0.4 . 1 . . . . 63 V CB . 15381 1
680 . 1 1 63 63 VAL CG1 C 13 22.041 0.4 . 1 . . . . 63 V CG1 . 15381 1
681 . 1 1 63 63 VAL CG2 C 13 22.551 0.4 . 1 . . . . 63 V CG2 . 15381 1
682 . 1 1 63 63 VAL N N 15 123.447 0.4 . 1 . . . . 63 V N . 15381 1
683 . 1 1 64 64 ARG H H 1 7.940 0.035 . 1 . . . . 64 R HN . 15381 1
684 . 1 1 64 64 ARG HA H 1 3.699 0.035 . 1 . . . . 64 R HA . 15381 1
685 . 1 1 64 64 ARG HB2 H 1 1.778 0.035 . 2 . . . . 64 R HB2 . 15381 1
686 . 1 1 64 64 ARG HB3 H 1 1.804 0.035 . 2 . . . . 64 R HB3 . 15381 1
687 . 1 1 64 64 ARG HD2 H 1 3.126 0.035 . 2 . . . . 64 R QD . 15381 1
688 . 1 1 64 64 ARG HD3 H 1 3.126 0.035 . 2 . . . . 64 R QD . 15381 1
689 . 1 1 64 64 ARG HG2 H 1 1.497 0.035 . 2 . . . . 64 R HG2 . 15381 1
690 . 1 1 64 64 ARG HG3 H 1 1.660 0.035 . 2 . . . . 64 R HG3 . 15381 1
691 . 1 1 64 64 ARG CA C 13 58.871 0.4 . 1 . . . . 64 R CA . 15381 1
692 . 1 1 64 64 ARG CB C 13 30.531 0.4 . 1 . . . . 64 R CB . 15381 1
693 . 1 1 64 64 ARG CD C 13 43.404 0.4 . 1 . . . . 64 R CD . 15381 1
694 . 1 1 64 64 ARG CG C 13 28.611 0.4 . 1 . . . . 64 R CG . 15381 1
695 . 1 1 64 64 ARG N N 15 115.299 0.4 . 1 . . . . 64 R N . 15381 1
696 . 1 1 65 65 ASN H H 1 7.210 0.035 . 1 . . . . 65 N HN . 15381 1
697 . 1 1 65 65 ASN HA H 1 4.656 0.035 . 1 . . . . 65 N HA . 15381 1
698 . 1 1 65 65 ASN HB2 H 1 2.627 0.035 . 2 . . . . 65 N HB2 . 15381 1
699 . 1 1 65 65 ASN HB3 H 1 2.975 0.035 . 2 . . . . 65 N HB3 . 15381 1
700 . 1 1 65 65 ASN HD21 H 1 6.868 0.035 . 1 . . . . 65 N HD21 . 15381 1
701 . 1 1 65 65 ASN HD22 H 1 7.501 0.035 . 1 . . . . 65 N HD22 . 15381 1
702 . 1 1 65 65 ASN CA C 13 53.262 0.4 . 1 . . . . 65 N CA . 15381 1
703 . 1 1 65 65 ASN CB C 13 39.886 0.4 . 1 . . . . 65 N CB . 15381 1
704 . 1 1 65 65 ASN N N 15 113.089 0.4 . 1 . . . . 65 N N . 15381 1
705 . 1 1 65 65 ASN ND2 N 15 113.641 0.4 . 1 . . . . 65 N ND2 . 15381 1
706 . 1 1 66 66 VAL H H 1 7.414 0.035 . 1 . . . . 66 V HN . 15381 1
707 . 1 1 66 66 VAL HA H 1 3.738 0.035 . 1 . . . . 66 V HA . 15381 1
708 . 1 1 66 66 VAL HB H 1 2.165 0.035 . 1 . . . . 66 V HB . 15381 1
709 . 1 1 66 66 VAL HG11 H 1 0.855 0.035 . 1 . . . . 66 V QG1 . 15381 1
710 . 1 1 66 66 VAL HG12 H 1 0.855 0.035 . 1 . . . . 66 V QG1 . 15381 1
711 . 1 1 66 66 VAL HG13 H 1 0.855 0.035 . 1 . . . . 66 V QG1 . 15381 1
712 . 1 1 66 66 VAL HG21 H 1 1.180 0.035 . 1 . . . . 66 V QG2 . 15381 1
713 . 1 1 66 66 VAL HG22 H 1 1.180 0.035 . 1 . . . . 66 V QG2 . 15381 1
714 . 1 1 66 66 VAL HG23 H 1 1.180 0.035 . 1 . . . . 66 V QG2 . 15381 1
715 . 1 1 66 66 VAL CA C 13 64.090 0.4 . 1 . . . . 66 V CA . 15381 1
716 . 1 1 66 66 VAL CB C 13 31.453 0.4 . 1 . . . . 66 V CB . 15381 1
717 . 1 1 66 66 VAL CG1 C 13 22.359 0.4 . 1 . . . . 66 V CG1 . 15381 1
718 . 1 1 66 66 VAL CG2 C 13 23.662 0.4 . 1 . . . . 66 V CG2 . 15381 1
719 . 1 1 66 66 VAL N N 15 124.826 0.4 . 1 . . . . 66 V N . 15381 1
720 . 1 1 67 67 GLU H H 1 8.695 0.035 . 1 . . . . 67 E HN . 15381 1
721 . 1 1 67 67 GLU HA H 1 3.960 0.035 . 1 . . . . 67 E HA . 15381 1
722 . 1 1 67 67 GLU HB2 H 1 1.937 0.035 . 2 . . . . 67 E HB2 . 15381 1
723 . 1 1 67 67 GLU HB3 H 1 2.020 0.035 . 2 . . . . 67 E HB3 . 15381 1
724 . 1 1 67 67 GLU HG2 H 1 2.150 0.035 . 2 . . . . 67 E HG2 . 15381 1
725 . 1 1 67 67 GLU HG3 H 1 2.258 0.035 . 2 . . . . 67 E HG3 . 15381 1
726 . 1 1 67 67 GLU CA C 13 58.692 0.4 . 1 . . . . 67 E CA . 15381 1
727 . 1 1 67 67 GLU CB C 13 29.169 0.4 . 1 . . . . 67 E CB . 15381 1
728 . 1 1 67 67 GLU CG C 13 36.171 0.4 . 1 . . . . 67 E CG . 15381 1
729 . 1 1 67 67 GLU N N 15 130.629 0.4 . 1 . . . . 67 E N . 15381 1
730 . 1 1 68 68 GLY H H 1 8.698 0.035 . 1 . . . . 68 G HN . 15381 1
731 . 1 1 68 68 GLY HA2 H 1 3.440 0.035 . 2 . . . . 68 G HA1 . 15381 1
732 . 1 1 68 68 GLY HA3 H 1 4.236 0.035 . 2 . . . . 68 G HA2 . 15381 1
733 . 1 1 68 68 GLY CA C 13 44.748 0.4 . 1 . . . . 68 G CA . 15381 1
734 . 1 1 68 68 GLY N N 15 114.081 0.4 . 1 . . . . 68 G N . 15381 1
735 . 1 1 69 69 VAL H H 1 7.839 0.035 . 1 . . . . 69 V HN . 15381 1
736 . 1 1 69 69 VAL HA H 1 3.736 0.035 . 1 . . . . 69 V HA . 15381 1
737 . 1 1 69 69 VAL HB H 1 2.303 0.035 . 1 . . . . 69 V HB . 15381 1
738 . 1 1 69 69 VAL HG11 H 1 0.801 0.035 . 2 . . . . 69 V QG1 . 15381 1
739 . 1 1 69 69 VAL HG12 H 1 0.801 0.035 . 2 . . . . 69 V QG1 . 15381 1
740 . 1 1 69 69 VAL HG13 H 1 0.801 0.035 . 2 . . . . 69 V QG1 . 15381 1
741 . 1 1 69 69 VAL HG21 H 1 0.801 0.035 . 2 . . . . 69 V QG2 . 15381 1
742 . 1 1 69 69 VAL HG22 H 1 0.801 0.035 . 2 . . . . 69 V QG2 . 15381 1
743 . 1 1 69 69 VAL HG23 H 1 0.801 0.035 . 2 . . . . 69 V QG2 . 15381 1
744 . 1 1 69 69 VAL CA C 13 64.889 0.4 . 1 . . . . 69 V CA . 15381 1
745 . 1 1 69 69 VAL CB C 13 31.142 0.4 . 1 . . . . 69 V CB . 15381 1
746 . 1 1 69 69 VAL CG1 C 13 22.868 0.4 . 2 . . . . 69 V CG1 . 15381 1
747 . 1 1 69 69 VAL CG2 C 13 22.844 0.4 . 2 . . . . 69 V CG2 . 15381 1
748 . 1 1 69 69 VAL N N 15 120.636 0.4 . 1 . . . . 69 V N . 15381 1
749 . 1 1 70 70 LEU H H 1 9.280 0.035 . 1 . . . . 70 L HN . 15381 1
750 . 1 1 70 70 LEU HA H 1 4.360 0.035 . 1 . . . . 70 L HA . 15381 1
751 . 1 1 70 70 LEU HB2 H 1 1.366 0.035 . 2 . . . . 70 L HB2 . 15381 1
752 . 1 1 70 70 LEU HB3 H 1 1.447 0.035 . 2 . . . . 70 L HB3 . 15381 1
753 . 1 1 70 70 LEU HD11 H 1 0.755 0.035 . 1 . . . . 70 L QD1 . 15381 1
754 . 1 1 70 70 LEU HD12 H 1 0.755 0.035 . 1 . . . . 70 L QD1 . 15381 1
755 . 1 1 70 70 LEU HD13 H 1 0.755 0.035 . 1 . . . . 70 L QD1 . 15381 1
756 . 1 1 70 70 LEU HD21 H 1 0.755 0.035 . 1 . . . . 70 L QD2 . 15381 1
757 . 1 1 70 70 LEU HD22 H 1 0.755 0.035 . 1 . . . . 70 L QD2 . 15381 1
758 . 1 1 70 70 LEU HD23 H 1 0.755 0.035 . 1 . . . . 70 L QD2 . 15381 1
759 . 1 1 70 70 LEU HG H 1 1.633 0.035 . 1 . . . . 70 L HG . 15381 1
760 . 1 1 70 70 LEU CA C 13 55.617 0.4 . 1 . . . . 70 L CA . 15381 1
761 . 1 1 70 70 LEU CB C 13 43.220 0.4 . 1 . . . . 70 L CB . 15381 1
762 . 1 1 70 70 LEU CD1 C 13 25.253 0.4 . 1 . . . . 70 L CD1 . 15381 1
763 . 1 1 70 70 LEU CD2 C 13 22.352 0.4 . 1 . . . . 70 L CD2 . 15381 1
764 . 1 1 70 70 LEU CG C 13 26.854 0.4 . 1 . . . . 70 L CG . 15381 1
765 . 1 1 70 70 LEU N N 15 129.879 0.4 . 1 . . . . 70 L N . 15381 1
766 . 1 1 71 71 ALA H H 1 7.680 0.035 . 1 . . . . 71 A HN . 15381 1
767 . 1 1 71 71 ALA HA H 1 4.448 0.035 . 1 . . . . 71 A HA . 15381 1
768 . 1 1 71 71 ALA HB1 H 1 1.340 0.035 . 1 . . . . 71 A QB . 15381 1
769 . 1 1 71 71 ALA HB2 H 1 1.340 0.035 . 1 . . . . 71 A QB . 15381 1
770 . 1 1 71 71 ALA HB3 H 1 1.340 0.035 . 1 . . . . 71 A QB . 15381 1
771 . 1 1 71 71 ALA CA C 13 52.359 0.4 . 1 . . . . 71 A CA . 15381 1
772 . 1 1 71 71 ALA CB C 13 21.839 0.4 . 1 . . . . 71 A CB . 15381 1
773 . 1 1 71 71 ALA N N 15 119.157 0.4 . 1 . . . . 71 A N . 15381 1
774 . 1 1 72 72 VAL H H 1 8.436 0.035 . 1 . . . . 72 V HN . 15381 1
775 . 1 1 72 72 VAL HA H 1 4.871 0.035 . 1 . . . . 72 V HA . 15381 1
776 . 1 1 72 72 VAL HB H 1 1.804 0.035 . 1 . . . . 72 V HB . 15381 1
777 . 1 1 72 72 VAL HG11 H 1 0.773 0.035 . 2 . . . . 72 V QG1 . 15381 1
778 . 1 1 72 72 VAL HG12 H 1 0.773 0.035 . 2 . . . . 72 V QG1 . 15381 1
779 . 1 1 72 72 VAL HG13 H 1 0.773 0.035 . 2 . . . . 72 V QG1 . 15381 1
780 . 1 1 72 72 VAL HG21 H 1 0.773 0.035 . 2 . . . . 72 V QG2 . 15381 1
781 . 1 1 72 72 VAL HG22 H 1 0.773 0.035 . 2 . . . . 72 V QG2 . 15381 1
782 . 1 1 72 72 VAL HG23 H 1 0.773 0.035 . 2 . . . . 72 V QG2 . 15381 1
783 . 1 1 72 72 VAL CA C 13 61.167 0.4 . 1 . . . . 72 V CA . 15381 1
784 . 1 1 72 72 VAL CB C 13 35.308 0.4 . 1 . . . . 72 V CB . 15381 1
785 . 1 1 72 72 VAL CG1 C 13 22.646 0.4 . 2 . . . . 72 V CG1 . 15381 1
786 . 1 1 72 72 VAL CG2 C 13 22.669 0.4 . 2 . . . . 72 V CG2 . 15381 1
787 . 1 1 72 72 VAL N N 15 118.236 0.4 . 1 . . . . 72 V N . 15381 1
788 . 1 1 73 73 SER H H 1 8.695 0.035 . 1 . . . . 73 S HN . 15381 1
789 . 1 1 73 73 SER HA H 1 4.781 0.035 . 1 . . . . 73 S HA . 15381 1
790 . 1 1 73 73 SER HB2 H 1 3.661 0.035 . 2 . . . . 73 S HB2 . 15381 1
791 . 1 1 73 73 SER HB3 H 1 3.777 0.035 . 2 . . . . 73 S HB3 . 15381 1
792 . 1 1 73 73 SER CA C 13 56.921 0.4 . 1 . . . . 73 S CA . 15381 1
793 . 1 1 73 73 SER CB C 13 65.144 0.4 . 1 . . . . 73 S CB . 15381 1
794 . 1 1 73 73 SER N N 15 121.195 0.4 . 1 . . . . 73 S N . 15381 1
795 . 1 1 74 74 LEU H H 1 8.561 0.035 . 1 . . . . 74 L HN . 15381 1
796 . 1 1 74 74 LEU HA H 1 4.592 0.035 . 1 . . . . 74 L HA . 15381 1
797 . 1 1 74 74 LEU HB2 H 1 1.372 0.035 . 2 . . . . 74 L QB . 15381 1
798 . 1 1 74 74 LEU HB3 H 1 1.372 0.035 . 2 . . . . 74 L QB . 15381 1
799 . 1 1 74 74 LEU HD11 H 1 0.756 0.035 . 1 . . . . 74 L QD1 . 15381 1
800 . 1 1 74 74 LEU HD12 H 1 0.756 0.035 . 1 . . . . 74 L QD1 . 15381 1
801 . 1 1 74 74 LEU HD13 H 1 0.756 0.035 . 1 . . . . 74 L QD1 . 15381 1
802 . 1 1 74 74 LEU HD21 H 1 0.713 0.035 . 1 . . . . 74 L QD2 . 15381 1
803 . 1 1 74 74 LEU HD22 H 1 0.713 0.035 . 1 . . . . 74 L QD2 . 15381 1
804 . 1 1 74 74 LEU HD23 H 1 0.713 0.035 . 1 . . . . 74 L QD2 . 15381 1
805 . 1 1 74 74 LEU HG H 1 1.385 0.035 . 1 . . . . 74 L HG . 15381 1
806 . 1 1 74 74 LEU CA C 13 55.599 0.4 . 1 . . . . 74 L CA . 15381 1
807 . 1 1 74 74 LEU CB C 13 43.434 0.4 . 1 . . . . 74 L CB . 15381 1
808 . 1 1 74 74 LEU CD1 C 13 24.937 0.4 . 1 . . . . 74 L CD1 . 15381 1
809 . 1 1 74 74 LEU CD2 C 13 25.418 0.4 . 1 . . . . 74 L CD2 . 15381 1
810 . 1 1 74 74 LEU CG C 13 28.291 0.4 . 1 . . . . 74 L CG . 15381 1
811 . 1 1 74 74 LEU N N 15 126.016 0.4 . 1 . . . . 74 L N . 15381 1
812 . 1 1 75 75 VAL H H 1 8.597 0.035 . 1 . . . . 75 V HN . 15381 1
813 . 1 1 75 75 VAL HA H 1 4.050 0.035 . 1 . . . . 75 V HA . 15381 1
814 . 1 1 75 75 VAL HB H 1 1.858 0.035 . 1 . . . . 75 V HB . 15381 1
815 . 1 1 75 75 VAL HG11 H 1 0.721 0.035 . 2 . . . . 75 V QG1 . 15381 1
816 . 1 1 75 75 VAL HG12 H 1 0.721 0.035 . 2 . . . . 75 V QG1 . 15381 1
817 . 1 1 75 75 VAL HG13 H 1 0.721 0.035 . 2 . . . . 75 V QG1 . 15381 1
818 . 1 1 75 75 VAL HG21 H 1 0.721 0.035 . 2 . . . . 75 V QG2 . 15381 1
819 . 1 1 75 75 VAL HG22 H 1 0.721 0.035 . 2 . . . . 75 V QG2 . 15381 1
820 . 1 1 75 75 VAL HG23 H 1 0.721 0.035 . 2 . . . . 75 V QG2 . 15381 1
821 . 1 1 75 75 VAL CA C 13 62.246 0.4 . 1 . . . . 75 V CA . 15381 1
822 . 1 1 75 75 VAL CB C 13 33.389 0.4 . 1 . . . . 75 V CB . 15381 1
823 . 1 1 75 75 VAL CG1 C 13 21.081 0.4 . 2 . . . . 75 V CG1 . 15381 1
824 . 1 1 75 75 VAL CG2 C 13 21.057 0.4 . 2 . . . . 75 V CG2 . 15381 1
825 . 1 1 75 75 VAL N N 15 124.764 0.4 . 1 . . . . 75 V N . 15381 1
826 . 1 1 76 76 TYR H H 1 8.439 0.035 . 1 . . . . 76 Y HN . 15381 1
827 . 1 1 76 76 TYR HA H 1 4.611 0.035 . 1 . . . . 76 Y HA . 15381 1
828 . 1 1 76 76 TYR HB2 H 1 2.791 0.035 . 2 . . . . 76 Y HB2 . 15381 1
829 . 1 1 76 76 TYR HB3 H 1 2.934 0.035 . 2 . . . . 76 Y HB3 . 15381 1
830 . 1 1 76 76 TYR HD1 H 1 7.026 0.035 . 1 . . . . 76 Y QD . 15381 1
831 . 1 1 76 76 TYR HD2 H 1 7.026 0.035 . 1 . . . . 76 Y QD . 15381 1
832 . 1 1 76 76 TYR HE1 H 1 6.643 0.035 . 1 . . . . 76 Y QE . 15381 1
833 . 1 1 76 76 TYR HE2 H 1 6.643 0.035 . 1 . . . . 76 Y QE . 15381 1
834 . 1 1 76 76 TYR CA C 13 57.999 0.4 . 1 . . . . 76 Y CA . 15381 1
835 . 1 1 76 76 TYR CB C 13 39.328 0.4 . 1 . . . . 76 Y CB . 15381 1
836 . 1 1 76 76 TYR CD1 C 13 133.008 0.4 . 1 . . . . 76 Y CD1 . 15381 1
837 . 1 1 76 76 TYR CD2 C 13 133.008 0.4 . 1 . . . . 76 Y CD2 . 15381 1
838 . 1 1 76 76 TYR CE1 C 13 118.151 0.4 . 1 . . . . 76 Y CE1 . 15381 1
839 . 1 1 76 76 TYR CE2 C 13 118.151 0.4 . 1 . . . . 76 Y CE2 . 15381 1
840 . 1 1 76 76 TYR N N 15 125.445 0.4 . 1 . . . . 76 Y N . 15381 1
841 . 1 1 77 77 HIS H H 1 8.430 0.035 . 1 . . . . 77 H HN . 15381 1
842 . 1 1 77 77 HIS HA H 1 4.264 0.035 . 1 . . . . 77 H HA . 15381 1
843 . 1 1 77 77 HIS HB2 H 1 1.980 0.035 . 2 . . . . 77 H QB . 15381 1
844 . 1 1 77 77 HIS HB3 H 1 1.980 0.035 . 2 . . . . 77 H QB . 15381 1
845 . 1 1 77 77 HIS CA C 13 55.857 0.4 . 1 . . . . 77 H CA . 15381 1
846 . 1 1 77 77 HIS CB C 13 29.708 0.4 . 1 . . . . 77 H CB . 15381 1
847 . 1 1 77 77 HIS N N 15 122.665 0.4 . 1 . . . . 77 H N . 15381 1
848 . 1 1 78 78 GLN H H 1 8.526 0.035 . 1 . . . . 78 Q HN . 15381 1
849 . 1 1 78 78 GLN N N 15 122.606 0.4 . 1 . . . . 78 Q N . 15381 1
850 . 1 1 81 81 GLU HA H 1 4.240 0.035 . 1 . . . . 81 E HA . 15381 1
851 . 1 1 81 81 GLU HB2 H 1 1.880 0.035 . 2 . . . . 81 E HB2 . 15381 1
852 . 1 1 81 81 GLU HB3 H 1 1.996 0.035 . 2 . . . . 81 E HB3 . 15381 1
853 . 1 1 81 81 GLU CA C 13 56.559 0.4 . 1 . . . . 81 E CA . 15381 1
854 . 1 1 81 81 GLU CB C 13 30.375 0.4 . 1 . . . . 81 E CB . 15381 1
855 . 1 1 82 82 GLN H H 1 8.451 0.035 . 1 . . . . 82 Q HN . 15381 1
856 . 1 1 82 82 GLN HA H 1 4.289 0.035 . 1 . . . . 82 Q HA . 15381 1
857 . 1 1 82 82 GLN HB2 H 1 1.926 0.035 . 2 . . . . 82 Q HB2 . 15381 1
858 . 1 1 82 82 GLN HB3 H 1 2.031 0.035 . 2 . . . . 82 Q HB3 . 15381 1
859 . 1 1 82 82 GLN HG2 H 1 2.295 0.035 . 2 . . . . 82 Q QG . 15381 1
860 . 1 1 82 82 GLN HG3 H 1 2.295 0.035 . 2 . . . . 82 Q QG . 15381 1
861 . 1 1 82 82 GLN CA C 13 55.873 0.4 . 1 . . . . 82 Q CA . 15381 1
862 . 1 1 82 82 GLN CB C 13 29.586 0.4 . 1 . . . . 82 Q CB . 15381 1
863 . 1 1 82 82 GLN CG C 13 33.837 0.4 . 1 . . . . 82 Q CG . 15381 1
864 . 1 1 82 82 GLN N N 15 121.600 0.4 . 1 . . . . 82 Q N . 15381 1
865 . 1 1 83 83 GLY H H 1 8.404 0.035 . 1 . . . . 83 G HN . 15381 1
866 . 1 1 83 83 GLY HA2 H 1 3.906 0.035 . 2 . . . . 83 G HA1 . 15381 1
867 . 1 1 83 83 GLY HA3 H 1 3.952 0.035 . 2 . . . . 83 G HA2 . 15381 1
868 . 1 1 83 83 GLY CA C 13 45.201 0.4 . 1 . . . . 83 G CA . 15381 1
869 . 1 1 83 83 GLY N N 15 110.355 0.4 . 1 . . . . 83 G N . 15381 1
870 . 1 1 84 84 GLU H H 1 8.297 0.035 . 1 . . . . 84 E HN . 15381 1
871 . 1 1 84 84 GLU HA H 1 4.233 0.035 . 1 . . . . 84 E HA . 15381 1
872 . 1 1 84 84 GLU CA C 13 56.500 0.4 . 1 . . . . 84 E CA . 15381 1
873 . 1 1 84 84 GLU N N 15 120.590 0.4 . 1 . . . . 84 E N . 15381 1
874 . 1 1 85 85 GLU HA H 1 4.234 0.035 . 1 . . . . 85 E HA . 15381 1
875 . 1 1 85 85 GLU HB2 H 1 1.938 0.035 . 2 . . . . 85 E QB . 15381 1
876 . 1 1 85 85 GLU HB3 H 1 1.938 0.035 . 2 . . . . 85 E QB . 15381 1
877 . 1 1 85 85 GLU CA C 13 56.706 0.4 . 1 . . . . 85 E CA . 15381 1
878 . 1 1 85 85 GLU CB C 13 30.239 0.4 . 1 . . . . 85 E CB . 15381 1
879 . 1 1 86 86 THR H H 1 8.099 0.035 . 1 . . . . 86 T HN . 15381 1
880 . 1 1 86 86 THR HA H 1 4.495 0.035 . 1 . . . . 86 T HA . 15381 1
881 . 1 1 86 86 THR HB H 1 4.063 0.035 . 1 . . . . 86 T HB . 15381 1
882 . 1 1 86 86 THR HG21 H 1 1.159 0.035 . 1 . . . . 86 T QG2 . 15381 1
883 . 1 1 86 86 THR HG22 H 1 1.159 0.035 . 1 . . . . 86 T QG2 . 15381 1
884 . 1 1 86 86 THR HG23 H 1 1.159 0.035 . 1 . . . . 86 T QG2 . 15381 1
885 . 1 1 86 86 THR CA C 13 60.065 0.4 . 1 . . . . 86 T CA . 15381 1
886 . 1 1 86 86 THR CB C 13 69.646 0.4 . 1 . . . . 86 T CB . 15381 1
887 . 1 1 86 86 THR CG2 C 13 21.557 0.4 . 1 . . . . 86 T CG2 . 15381 1
888 . 1 1 86 86 THR N N 15 117.698 0.4 . 1 . . . . 86 T N . 15381 1
889 . 1 1 87 87 PRO HA H 1 4.325 0.035 . 1 . . . . 87 P HA . 15381 1
890 . 1 1 87 87 PRO HB2 H 1 1.776 0.035 . 2 . . . . 87 P HB2 . 15381 1
891 . 1 1 87 87 PRO HB3 H 1 2.209 0.035 . 2 . . . . 87 P HB3 . 15381 1
892 . 1 1 87 87 PRO HD2 H 1 3.574 0.035 . 2 . . . . 87 P HD2 . 15381 1
893 . 1 1 87 87 PRO HD3 H 1 3.786 0.035 . 2 . . . . 87 P HD3 . 15381 1
894 . 1 1 87 87 PRO HG2 H 1 1.894 0.035 . 2 . . . . 87 P HG2 . 15381 1
895 . 1 1 87 87 PRO HG3 H 1 1.940 0.035 . 2 . . . . 87 P HG3 . 15381 1
896 . 1 1 87 87 PRO CA C 13 63.381 0.4 . 1 . . . . 87 P CA . 15381 1
897 . 1 1 87 87 PRO CB C 13 31.993 0.4 . 1 . . . . 87 P CB . 15381 1
898 . 1 1 87 87 PRO CD C 13 51.088 0.4 . 1 . . . . 87 P CD . 15381 1
899 . 1 1 87 87 PRO CG C 13 27.490 0.4 . 1 . . . . 87 P CG . 15381 1
900 . 1 1 88 88 ARG H H 1 8.392 0.035 . 1 . . . . 88 R HN . 15381 1
901 . 1 1 88 88 ARG HA H 1 4.215 0.035 . 1 . . . . 88 R HA . 15381 1
902 . 1 1 88 88 ARG HB2 H 1 1.649 0.035 . 2 . . . . 88 R HB2 . 15381 1
903 . 1 1 88 88 ARG HB3 H 1 1.737 0.035 . 2 . . . . 88 R HB3 . 15381 1
904 . 1 1 88 88 ARG HD2 H 1 3.064 0.035 . 2 . . . . 88 R QD . 15381 1
905 . 1 1 88 88 ARG HD3 H 1 3.064 0.035 . 2 . . . . 88 R QD . 15381 1
906 . 1 1 88 88 ARG HG2 H 1 1.529 0.035 . 2 . . . . 88 R HG2 . 15381 1
907 . 1 1 88 88 ARG HG3 H 1 1.554 0.035 . 2 . . . . 88 R HG3 . 15381 1
908 . 1 1 88 88 ARG CA C 13 56.156 0.4 . 1 . . . . 88 R CA . 15381 1
909 . 1 1 88 88 ARG CB C 13 30.740 0.4 . 1 . . . . 88 R CB . 15381 1
910 . 1 1 88 88 ARG CD C 13 43.258 0.4 . 1 . . . . 88 R CD . 15381 1
911 . 1 1 88 88 ARG CG C 13 27.018 0.4 . 1 . . . . 88 R CG . 15381 1
912 . 1 1 88 88 ARG N N 15 121.203 0.4 . 1 . . . . 88 R N . 15381 1
stop_
save_