data_11032
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the knotted tudor domain of the yeast histone
acetyltransferase protein, Esa1
;
_BMRB_accession_number 11032
_BMRB_flat_file_name bmr11032.str
_Entry_type original
_Submission_date 2008-03-01
_Accession_date 2008-03-02
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Shimojo Hideaki . .
2 Sano Norihiko . .
3 Moriwaki Yoshihito . .
4 Okuda Masahiko . .
5 Horikoshi Masami . .
6 Nishimura Yoshifumi . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 578
"13C chemical shifts" 431
"15N chemical shifts" 96
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2008-07-07 update BMRB 'complete entry citation'
2008-04-16 original author 'original release'
stop_
loop_
_Related_BMRB_accession_number
_Relationship
11033 'the presumed chromodomain of the yeast histone acetyl transferase protein, Esa1'
stop_
save_
#############################
# Citation for this entry #
#############################
save_citations
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Novel structural and functional mode of a knot essential for RNA binding
activity of the Esa1 presumed chromodomain
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 18407291
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Shimojo Hideaki . .
2 Sano Norihiko . .
3 Moriwaki Yoshihito . .
4 Okuda Masahiko . .
5 Horikoshi Masami . .
6 Nishimura Yoshifumi . .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_volume 378
_Journal_issue 5
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 987
_Page_last 1001
_Year 2008
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'the knotted tudor domain'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Residues 1-89' $entity
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Residues 1-89'
_Molecular_mass 10791.321
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 92
_Mol_residue_sequence
;
GSHMSHDGKEEPGIAKKINS
VDDIIIKCQCWVQKNDEERL
AEILSINTRKAPPKFYVHYV
NYNKRLDEWITTDRINLDKE
VLYPKLKATDED
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 SER
6 3 HIS 7 4 ASP 8 5 GLY 9 6 LYS 10 7 GLU
11 8 GLU 12 9 PRO 13 10 GLY 14 11 ILE 15 12 ALA
16 13 LYS 17 14 LYS 18 15 ILE 19 16 ASN 20 17 SER
21 18 VAL 22 19 ASP 23 20 ASP 24 21 ILE 25 22 ILE
26 23 ILE 27 24 LYS 28 25 CYS 29 26 GLN 30 27 CYS
31 28 TRP 32 29 VAL 33 30 GLN 34 31 LYS 35 32 ASN
36 33 ASP 37 34 GLU 38 35 GLU 39 36 ARG 40 37 LEU
41 38 ALA 42 39 GLU 43 40 ILE 44 41 LEU 45 42 SER
46 43 ILE 47 44 ASN 48 45 THR 49 46 ARG 50 47 LYS
51 48 ALA 52 49 PRO 53 50 PRO 54 51 LYS 55 52 PHE
56 53 TYR 57 54 VAL 58 55 HIS 59 56 TYR 60 57 VAL
61 58 ASN 62 59 TYR 63 60 ASN 64 61 LYS 65 62 ARG
66 63 LEU 67 64 ASP 68 65 GLU 69 66 TRP 70 67 ILE
71 68 THR 72 69 THR 73 70 ASP 74 71 ARG 75 72 ILE
76 73 ASN 77 74 LEU 78 75 ASP 79 76 LYS 80 77 GLU
81 78 VAL 82 79 LEU 83 80 TYR 84 81 PRO 85 82 LYS
86 83 LEU 87 84 LYS 88 85 ALA 89 86 THR 90 87 ASP
91 88 GLU 92 89 ASP
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
BMRB 11033 "Residues 17-89" 79.35 94 100.00 100.00 2.74e-45
PDB 2RNZ "Solution Structure Of The Presumed Chromodomain Of The Yeast Histone Acetyltransferase, Esa1" 79.35 94 100.00 100.00 2.74e-45
PDB 2RO0 "Solution Structure Of The Knotted Tudor Domain Of The Yeast Histone Acetyltransferase, Esa1" 100.00 92 100.00 100.00 2.08e-60
DBJ GAA26555 "K7_Esa1p [Saccharomyces cerevisiae Kyokai no. 7]" 96.74 445 98.88 98.88 8.02e-53
EMBL CAA99465 "unnamed protein product [Saccharomyces cerevisiae]" 96.74 445 100.00 100.00 3.34e-54
EMBL CAY86525 "Esa1p [Saccharomyces cerevisiae EC1118]" 96.74 445 100.00 100.00 3.34e-54
GB AHY77525 "Esa1p [Saccharomyces cerevisiae YJM993]" 96.74 445 100.00 100.00 3.34e-54
GB AJP41755 "Esa1p [Saccharomyces cerevisiae YJM1078]" 96.74 445 100.00 100.00 3.34e-54
GB AJT71177 "Esa1p [Saccharomyces cerevisiae YJM189]" 96.74 445 100.00 100.00 3.34e-54
GB AJT71665 "Esa1p [Saccharomyces cerevisiae YJM193]" 96.74 445 100.00 100.00 3.20e-54
GB AJT72155 "Esa1p [Saccharomyces cerevisiae YJM195]" 96.74 445 98.88 98.88 8.19e-53
REF NP_014887 "NuA4 histone acetyltransferase complex catalytic subunit ESA1 [Saccharomyces cerevisiae S288c]" 96.74 445 100.00 100.00 3.34e-54
SP Q08649 "RecName: Full=Histone acetyltransferase ESA1" 96.74 445 100.00 100.00 3.34e-54
TPG DAA11012 "TPA: NuA4 histone acetyltransferase complex catalytic subunit ESA1 [Saccharomyces cerevisiae S288c]" 96.74 445 100.00 100.00 3.34e-54
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$entity 'recombinant technology' . Escherichia coli . pET
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 0.35 mM '[U-99% 13C; U-99% 15N]'
'potassium phosphate' 200 mM .
H2O 95 % .
D2O 5 % .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 0.35 mM 'natural abundance'
'potassium phosphate' 200 mM .
D2O 100 % .
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
'P.GUNTERT ET AL.' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_Olivia
_Saveframe_category software
_Name Olivia
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Yokochi, M., Sekiguchi, S. and Inagaki, F.' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 800
_Details .
save_
save_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 900
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCACB_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HN(CO)CA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_2
save_
save_3D_HCCH-TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_2
save_
save_3D_1H-15N_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_2
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.8 . pH
pressure 1 . atm
temperature 295 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D CBCA(CO)NH'
'3D HNCACB'
'3D HNCO'
'3D HNCA'
'3D HN(CO)CA'
'2D 1H-13C HSQC'
'3D HCCH-TOCSY'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'Residues 1-89'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 -2 1 GLY CA C 43.259 0.450 1
2 -2 1 GLY HA2 H 3.881 0.040 2
3 -2 1 GLY HA3 H 3.881 0.040 2
4 -1 2 SER CA C 58.275 0.450 1
5 -1 2 SER HA H 4.483 0.040 1
6 -1 2 SER CB C 63.784 0.450 1
7 -1 2 SER HB2 H 3.815 0.040 2
8 -1 2 SER HB3 H 3.815 0.040 2
9 -1 2 SER C C 174.510 0.450 1
10 0 3 HIS N N 121.400 0.450 1
11 0 3 HIS H H 8.745 0.040 1
12 0 3 HIS CA C 55.942 0.450 1
13 0 3 HIS HA H 4.689 0.040 1
14 0 3 HIS CB C 29.722 0.450 1
15 0 3 HIS HB2 H 3.229 0.040 2
16 0 3 HIS HB3 H 3.134 0.040 2
17 0 3 HIS CD2 C 119.996 0.450 1
18 0 3 HIS CE1 C 137.309 0.450 1
19 0 3 HIS HD2 H 7.134 0.040 1
20 0 3 HIS HE1 H 8.207 0.040 1
21 0 3 HIS C C 174.774 0.450 1
22 1 4 MET N N 121.990 0.450 1
23 1 4 MET H H 8.526 0.040 1
24 1 4 MET CA C 55.263 0.450 1
25 1 4 MET HA H 4.482 0.040 1
26 1 4 MET CB C 32.966 0.450 1
27 1 4 MET HB2 H 2.009 0.040 2
28 1 4 MET HB3 H 1.939 0.040 2
29 1 4 MET CG C 31.826 0.450 1
30 1 4 MET HG2 H 2.488 0.040 2
31 1 4 MET HG3 H 2.449 0.040 2
32 1 4 MET HE H 2.060 0.040 1
33 1 4 MET CE C 16.893 0.450 1
34 1 4 MET C C 176.077 0.450 1
35 2 5 SER N N 117.420 0.450 1
36 2 5 SER H H 8.461 0.040 1
37 2 5 SER CA C 58.084 0.450 1
38 2 5 SER HA H 4.435 0.040 1
39 2 5 SER CB C 63.694 0.450 1
40 2 5 SER HB2 H 3.855 0.040 2
41 2 5 SER HB3 H 3.855 0.040 2
42 2 5 SER C C 174.549 0.450 1
43 3 6 HIS N N 121.469 0.450 1
44 3 6 HIS H H 8.648 0.040 1
45 3 6 HIS CA C 56.064 0.450 1
46 3 6 HIS HA H 4.678 0.040 1
47 3 6 HIS CB C 29.922 0.450 1
48 3 6 HIS HB2 H 3.210 0.040 2
49 3 6 HIS HB3 H 3.121 0.040 2
50 3 6 HIS CD2 C 119.996 0.450 1
51 3 6 HIS CE1 C 137.309 0.450 1
52 3 6 HIS HD2 H 7.134 0.040 1
53 3 6 HIS HE1 H 8.207 0.040 1
54 3 6 HIS C C 174.769 0.450 1
55 4 7 ASP N N 121.215 0.450 1
56 4 7 ASP H H 8.393 0.040 1
57 4 7 ASP CA C 54.361 0.450 1
58 4 7 ASP HA H 4.575 0.040 1
59 4 7 ASP CB C 41.020 0.450 1
60 4 7 ASP HB2 H 2.656 0.040 2
61 4 7 ASP HB3 H 2.656 0.040 2
62 4 7 ASP C C 176.737 0.450 1
63 5 8 GLY N N 109.480 0.450 1
64 5 8 GLY H H 8.425 0.040 1
65 5 8 GLY CA C 45.446 0.450 1
66 5 8 GLY HA2 H 3.971 0.040 2
67 5 8 GLY HA3 H 3.910 0.040 2
68 5 8 GLY C C 174.320 0.450 1
69 6 9 LYS N N 120.718 0.450 1
70 6 9 LYS H H 8.131 0.040 1
71 6 9 LYS CA C 55.908 0.450 1
72 6 9 LYS HA H 4.331 0.040 1
73 6 9 LYS CB C 33.217 0.450 1
74 6 9 LYS HB2 H 1.831 0.040 2
75 6 9 LYS HB3 H 1.741 0.040 2
76 6 9 LYS CG C 24.688 0.450 1
77 6 9 LYS HG2 H 1.419 0.040 2
78 6 9 LYS HG3 H 1.378 0.040 2
79 6 9 LYS CD C 28.970 0.450 1
80 6 9 LYS HD2 H 1.677 0.040 2
81 6 9 LYS HD3 H 1.677 0.040 2
82 6 9 LYS CE C 41.826 0.450 1
83 6 9 LYS HE2 H 2.976 0.040 2
84 6 9 LYS HE3 H 2.976 0.040 2
85 6 9 LYS C C 176.516 0.450 1
86 7 10 GLU N N 122.236 0.450 1
87 7 10 GLU H H 8.511 0.040 1
88 7 10 GLU CA C 56.101 0.450 1
89 7 10 GLU HA H 4.330 0.040 1
90 7 10 GLU CB C 30.440 0.450 1
91 7 10 GLU HB2 H 2.000 0.040 2
92 7 10 GLU HB3 H 1.895 0.040 2
93 7 10 GLU CG C 36.342 0.450 1
94 7 10 GLU HG2 H 2.247 0.040 2
95 7 10 GLU HG3 H 2.247 0.040 2
96 7 10 GLU C C 176.293 0.450 1
97 8 11 GLU N N 124.205 0.450 1
98 8 11 GLU H H 8.556 0.040 1
99 8 11 GLU CA C 54.065 0.450 1
100 8 11 GLU HA H 4.613 0.040 1
101 8 11 GLU CB C 30.061 0.450 1
102 8 11 GLU HB2 H 2.056 0.040 2
103 8 11 GLU HB3 H 1.890 0.040 2
104 8 11 GLU CG C 36.020 0.450 1
105 8 11 GLU HG2 H 2.288 0.040 2
106 8 11 GLU HG3 H 2.288 0.040 2
107 9 12 PRO CD C 50.638 0.450 1
108 9 12 PRO CA C 63.186 0.450 1
109 9 12 PRO HA H 4.464 0.040 1
110 9 12 PRO CB C 32.172 0.450 1
111 9 12 PRO HB2 H 1.996 0.040 2
112 9 12 PRO HB3 H 2.270 0.040 2
113 9 12 PRO CG C 27.281 0.450 1
114 9 12 PRO HG2 H 2.018 0.040 2
115 9 12 PRO HG3 H 2.018 0.040 2
116 9 12 PRO HD2 H 3.791 0.040 2
117 9 12 PRO HD3 H 3.744 0.040 2
118 9 12 PRO C C 177.176 0.450 1
119 10 13 GLY N N 108.077 0.450 1
120 10 13 GLY H H 8.225 0.040 1
121 10 13 GLY CA C 44.612 0.450 1
122 10 13 GLY HA2 H 3.802 0.040 2
123 10 13 GLY HA3 H 4.161 0.040 2
124 10 13 GLY C C 173.003 0.450 1
125 11 14 ILE N N 120.575 0.450 1
126 11 14 ILE H H 8.513 0.040 1
127 11 14 ILE CA C 60.002 0.450 1
128 11 14 ILE HA H 4.286 0.040 1
129 11 14 ILE CB C 39.610 0.450 1
130 11 14 ILE HB H 1.856 0.040 1
131 11 14 ILE HG2 H 0.874 0.040 1
132 11 14 ILE CG2 C 17.601 0.450 1
133 11 14 ILE CG1 C 27.479 0.450 1
134 11 14 ILE HG12 H 1.479 0.040 2
135 11 14 ILE HG13 H 1.163 0.040 2
136 11 14 ILE HD1 H 0.849 0.040 1
137 11 14 ILE CD1 C 13.188 0.450 1
138 11 14 ILE C C 175.192 0.450 1
139 12 15 ALA N N 130.084 0.450 1
140 12 15 ALA H H 8.582 0.040 1
141 12 15 ALA CA C 51.257 0.450 1
142 12 15 ALA HA H 5.210 0.040 1
143 12 15 ALA HB H 1.308 0.040 1
144 12 15 ALA CB C 19.941 0.450 1
145 12 15 ALA C C 177.397 0.450 1
146 13 16 LYS N N 121.502 0.450 1
147 13 16 LYS H H 9.310 0.040 1
148 13 16 LYS CA C 55.163 0.450 1
149 13 16 LYS HA H 4.683 0.040 1
150 13 16 LYS CB C 36.212 0.450 1
151 13 16 LYS HB2 H 1.687 0.040 2
152 13 16 LYS HB3 H 1.786 0.040 2
153 13 16 LYS CG C 24.246 0.450 1
154 13 16 LYS HG2 H 1.300 0.040 2
155 13 16 LYS HG3 H 1.246 0.040 2
156 13 16 LYS CD C 28.909 0.450 1
157 13 16 LYS HD2 H 1.340 0.040 2
158 13 16 LYS HD3 H 1.246 0.040 2
159 13 16 LYS CE C 41.403 0.450 1
160 13 16 LYS HE2 H 2.516 0.040 2
161 13 16 LYS HE3 H 2.516 0.040 2
162 13 16 LYS C C 174.540 0.450 1
163 14 17 LYS N N 123.608 0.450 1
164 14 17 LYS H H 8.609 0.040 1
165 14 17 LYS CA C 55.188 0.450 1
166 14 17 LYS HA H 4.814 0.040 1
167 14 17 LYS CB C 31.934 0.450 1
168 14 17 LYS HB2 H 1.893 0.040 2
169 14 17 LYS HB3 H 1.705 0.040 2
170 14 17 LYS CG C 25.080 0.450 1
171 14 17 LYS HG2 H 1.431 0.040 2
172 14 17 LYS HG3 H 1.341 0.040 2
173 14 17 LYS CD C 28.515 0.450 1
174 14 17 LYS HD2 H 1.732 0.040 2
175 14 17 LYS HD3 H 1.637 0.040 2
176 14 17 LYS CE C 41.902 0.450 1
177 14 17 LYS HE2 H 3.052 0.040 2
178 14 17 LYS HE3 H 2.956 0.040 2
179 14 17 LYS C C 176.515 0.450 1
180 15 18 ILE N N 122.593 0.450 1
181 15 18 ILE H H 9.358 0.040 1
182 15 18 ILE CA C 59.892 0.450 1
183 15 18 ILE HA H 4.724 0.040 1
184 15 18 ILE CB C 40.676 0.450 1
185 15 18 ILE HB H 2.251 0.040 1
186 15 18 ILE HG2 H 1.081 0.040 1
187 15 18 ILE CG2 C 18.477 0.450 1
188 15 18 ILE CG1 C 25.728 0.450 1
189 15 18 ILE HG12 H 1.366 0.040 2
190 15 18 ILE HG13 H 1.366 0.040 2
191 15 18 ILE HD1 H 0.935 0.040 1
192 15 18 ILE CD1 C 14.522 0.450 1
193 15 18 ILE C C 175.200 0.450 1
194 16 19 ASN N N 115.643 0.450 1
195 16 19 ASN H H 8.709 0.040 1
196 16 19 ASN CA C 53.220 0.450 1
197 16 19 ASN HA H 4.947 0.040 1
198 16 19 ASN CB C 40.277 0.450 1
199 16 19 ASN HB2 H 2.835 0.040 2
200 16 19 ASN HB3 H 2.787 0.040 2
201 16 19 ASN CG C 176.952 0.450 1
202 16 19 ASN ND2 N 113.639 0.450 1
203 16 19 ASN HD21 H 7.704 0.040 2
204 16 19 ASN HD22 H 6.934 0.040 2
205 16 19 ASN C C 175.234 0.450 1
206 17 20 SER N N 112.624 0.450 1
207 17 20 SER H H 7.567 0.040 1
208 17 20 SER CA C 56.028 0.450 1
209 17 20 SER HA H 4.836 0.040 1
210 17 20 SER CB C 64.979 0.450 1
211 17 20 SER HB2 H 3.956 0.040 2
212 17 20 SER HB3 H 3.650 0.040 2
213 17 20 SER C C 175.509 0.450 1
214 18 21 VAL N N 120.746 0.450 1
215 18 21 VAL H H 9.110 0.040 1
216 18 21 VAL CA C 64.302 0.450 1
217 18 21 VAL HA H 3.998 0.040 1
218 18 21 VAL CB C 31.499 0.450 1
219 18 21 VAL HB H 2.492 0.040 1
220 18 21 VAL HG1 H 1.203 0.040 2
221 18 21 VAL HG2 H 1.167 0.040 2
222 18 21 VAL CG1 C 19.032 0.450 1
223 18 21 VAL CG2 C 22.064 0.450 1
224 18 21 VAL C C 177.612 0.450 1
225 19 22 ASP N N 122.528 0.450 1
226 19 22 ASP H H 8.409 0.040 1
227 19 22 ASP CA C 56.430 0.450 1
228 19 22 ASP HA H 4.501 0.040 1
229 19 22 ASP CB C 40.097 0.450 1
230 19 22 ASP HB2 H 2.768 0.040 2
231 19 22 ASP HB3 H 2.514 0.040 2
232 19 22 ASP C C 176.303 0.450 1
233 20 23 ASP N N 115.140 0.450 1
234 20 23 ASP H H 7.496 0.040 1
235 20 23 ASP CA C 54.941 0.450 1
236 20 23 ASP HA H 4.788 0.040 1
237 20 23 ASP CB C 41.407 0.450 1
238 20 23 ASP HB2 H 2.951 0.040 2
239 20 23 ASP HB3 H 2.840 0.040 2
240 20 23 ASP C C 178.487 0.450 1
241 21 24 ILE N N 125.876 0.450 1
242 21 24 ILE H H 7.741 0.040 1
243 21 24 ILE CA C 63.589 0.450 1
244 21 24 ILE HA H 3.727 0.040 1
245 21 24 ILE CB C 37.111 0.450 1
246 21 24 ILE HB H 2.108 0.040 1
247 21 24 ILE HG2 H 0.652 0.040 1
248 21 24 ILE CG2 C 18.665 0.450 1
249 21 24 ILE CG1 C 29.840 0.450 1
250 21 24 ILE HG12 H 0.828 0.040 2
251 21 24 ILE HG13 H 1.652 0.040 2
252 21 24 ILE HD1 H 0.700 0.040 1
253 21 24 ILE CD1 C 13.214 0.450 1
254 21 24 ILE C C 174.439 0.450 1
255 22 25 ILE N N 120.508 0.450 1
256 22 25 ILE H H 7.156 0.040 1
257 22 25 ILE CA C 59.307 0.450 1
258 22 25 ILE HA H 4.806 0.040 1
259 22 25 ILE CB C 42.414 0.450 1
260 22 25 ILE HB H 2.116 0.040 1
261 22 25 ILE HG2 H 1.023 0.040 1
262 22 25 ILE CG2 C 17.616 0.450 1
263 22 25 ILE CG1 C 26.471 0.450 1
264 22 25 ILE HG12 H 1.556 0.040 2
265 22 25 ILE HG13 H 1.078 0.040 2
266 22 25 ILE HD1 H 1.057 0.040 1
267 22 25 ILE CD1 C 13.963 0.450 1
268 22 25 ILE C C 175.405 0.450 1
269 23 26 ILE N N 119.898 0.450 1
270 23 26 ILE H H 8.183 0.040 1
271 23 26 ILE CA C 63.817 0.450 1
272 23 26 ILE HA H 3.479 0.040 1
273 23 26 ILE CB C 37.603 0.450 1
274 23 26 ILE HB H 1.777 0.040 1
275 23 26 ILE HG2 H 1.022 0.040 1
276 23 26 ILE CG2 C 17.892 0.450 1
277 23 26 ILE CG1 C 28.216 0.450 1
278 23 26 ILE HG12 H 1.628 0.040 2
279 23 26 ILE HG13 H 1.080 0.040 2
280 23 26 ILE HD1 H 0.976 0.040 1
281 23 26 ILE CD1 C 13.192 0.450 1
282 23 26 ILE C C 176.078 0.450 1
283 24 27 LYS N N 115.664 0.450 1
284 24 27 LYS H H 8.937 0.040 1
285 24 27 LYS CA C 59.248 0.450 1
286 24 27 LYS HA H 3.701 0.040 1
287 24 27 LYS CB C 29.994 0.450 1
288 24 27 LYS HB2 H 2.486 0.040 2
289 24 27 LYS HB3 H 2.051 0.040 2
290 24 27 LYS CG C 26.115 0.450 1
291 24 27 LYS HG2 H 1.538 0.040 2
292 24 27 LYS HG3 H 1.538 0.040 2
293 24 27 LYS CD C 28.545 0.450 1
294 24 27 LYS HD2 H 1.680 0.040 2
295 24 27 LYS HD3 H 1.642 0.040 2
296 24 27 LYS CE C 41.597 0.450 1
297 24 27 LYS HE2 H 2.965 0.040 2
298 24 27 LYS HE3 H 2.965 0.040 2
299 24 27 LYS C C 177.631 0.450 1
300 25 28 CYS N N 116.258 0.450 1
301 25 28 CYS H H 7.808 0.040 1
302 25 28 CYS CA C 61.565 0.450 1
303 25 28 CYS HA H 4.766 0.040 1
304 25 28 CYS CB C 28.187 0.450 1
305 25 28 CYS HB2 H 2.577 0.040 2
306 25 28 CYS HB3 H 2.406 0.040 2
307 25 28 CYS C C 173.682 0.450 1
308 26 29 GLN N N 118.109 0.450 1
309 26 29 GLN H H 8.640 0.040 1
310 26 29 GLN CA C 53.797 0.450 1
311 26 29 GLN HA H 5.655 0.040 1
312 26 29 GLN CB C 30.177 0.450 1
313 26 29 GLN HB2 H 1.800 0.040 2
314 26 29 GLN HB3 H 1.653 0.040 2
315 26 29 GLN CG C 33.322 0.450 1
316 26 29 GLN HG2 H 2.319 0.040 2
317 26 29 GLN HG3 H 2.319 0.040 2
318 26 29 GLN CD C 178.052 0.450 1
319 26 29 GLN NE2 N 108.072 0.450 1
320 26 29 GLN HE21 H 7.463 0.040 2
321 26 29 GLN HE22 H 6.401 0.040 2
322 26 29 GLN C C 175.195 0.450 1
323 27 30 CYS N N 118.734 0.450 1
324 27 30 CYS H H 9.205 0.040 1
325 27 30 CYS CA C 54.510 0.450 1
326 27 30 CYS HA H 4.886 0.040 1
327 27 30 CYS CB C 31.756 0.450 1
328 27 30 CYS HB2 H 2.789 0.040 2
329 27 30 CYS HB3 H 2.764 0.040 2
330 27 30 CYS C C 171.247 0.450 1
331 28 31 TRP N N 124.551 0.450 1
332 28 31 TRP H H 9.398 0.040 1
333 28 31 TRP CA C 56.784 0.450 1
334 28 31 TRP HA H 4.629 0.040 1
335 28 31 TRP CB C 29.253 0.450 1
336 28 31 TRP HB2 H 3.107 0.040 2
337 28 31 TRP HB3 H 3.130 0.040 2
338 28 31 TRP CD1 C 128.227 0.450 1
339 28 31 TRP CE3 C 119.262 0.450 1
340 28 31 TRP NE1 N 129.751 0.450 1
341 28 31 TRP HD1 H 7.449 0.040 1
342 28 31 TRP HE3 H 7.183 0.040 1
343 28 31 TRP CZ3 C 122.024 0.450 1
344 28 31 TRP CZ2 C 114.934 0.450 1
345 28 31 TRP HE1 H 10.204 0.040 1
346 28 31 TRP HZ3 H 7.138 0.040 1
347 28 31 TRP CH2 C 124.385 0.450 1
348 28 31 TRP HZ2 H 7.527 0.040 1
349 28 31 TRP HH2 H 7.238 0.040 1
350 28 31 TRP C C 175.202 0.450 1
351 29 32 VAL N N 122.449 0.450 1
352 29 32 VAL H H 9.161 0.040 1
353 29 32 VAL CA C 59.628 0.450 1
354 29 32 VAL HA H 4.971 0.040 1
355 29 32 VAL CB C 35.745 0.450 1
356 29 32 VAL HB H 1.994 0.040 1
357 29 32 VAL HG1 H 0.962 0.040 2
358 29 32 VAL HG2 H 0.756 0.040 2
359 29 32 VAL CG1 C 22.559 0.450 1
360 29 32 VAL CG2 C 23.229 0.450 1
361 29 32 VAL C C 175.640 0.450 1
362 30 33 GLN N N 125.695 0.450 1
363 30 33 GLN H H 9.059 0.040 1
364 30 33 GLN CA C 56.315 0.450 1
365 30 33 GLN HA H 4.588 0.040 1
366 30 33 GLN CB C 29.048 0.450 1
367 30 33 GLN HB2 H 2.137 0.040 2
368 30 33 GLN HB3 H 2.078 0.040 2
369 30 33 GLN CG C 33.328 0.450 1
370 30 33 GLN HG2 H 2.400 0.040 2
371 30 33 GLN HG3 H 2.400 0.040 2
372 30 33 GLN CD C 179.810 0.450 1
373 30 33 GLN NE2 N 111.037 0.450 1
374 30 33 GLN HE21 H 7.529 0.040 2
375 30 33 GLN HE22 H 6.715 0.040 2
376 30 33 GLN C C 175.198 0.450 1
377 31 34 LYS N N 128.774 0.450 1
378 31 34 LYS H H 8.906 0.040 1
379 31 34 LYS CA C 54.427 0.450 1
380 31 34 LYS HA H 4.415 0.040 1
381 31 34 LYS CB C 33.550 0.450 1
382 31 34 LYS HB2 H 1.402 0.040 2
383 31 34 LYS HB3 H 1.402 0.040 2
384 31 34 LYS CG C 24.209 0.450 1
385 31 34 LYS HG2 H 0.924 0.040 2
386 31 34 LYS HG3 H 0.615 0.040 2
387 31 34 LYS CD C 28.174 0.450 1
388 31 34 LYS HD2 H 1.463 0.040 2
389 31 34 LYS HD3 H 1.378 0.040 2
390 31 34 LYS CE C 41.792 0.450 1
391 31 34 LYS HE2 H 2.632 0.040 2
392 31 34 LYS HE3 H 2.558 0.040 2
393 31 34 LYS C C 174.320 0.450 1
394 32 35 ASN N N 125.636 0.450 1
395 32 35 ASN H H 9.541 0.040 1
396 32 35 ASN CA C 55.158 0.450 1
397 32 35 ASN HA H 4.219 0.040 1
398 32 35 ASN CB C 36.930 0.450 1
399 32 35 ASN HB2 H 2.972 0.040 2
400 32 35 ASN HB3 H 2.948 0.040 2
401 32 35 ASN CG C 177.392 0.450 1
402 32 35 ASN ND2 N 112.973 0.450 1
403 32 35 ASN HD21 H 7.605 0.040 2
404 32 35 ASN HD22 H 7.039 0.040 2
405 32 35 ASN C C 174.330 0.450 1
406 33 36 ASP N N 118.173 0.450 1
407 33 36 ASP H H 8.658 0.040 1
408 33 36 ASP CA C 55.007 0.450 1
409 33 36 ASP HA H 4.556 0.040 1
410 33 36 ASP CB C 40.075 0.450 1
411 33 36 ASP HB2 H 2.814 0.040 2
412 33 36 ASP HB3 H 2.814 0.040 2
413 33 36 ASP C C 174.637 0.450 1
414 34 37 GLU N N 118.754 0.450 1
415 34 37 GLU H H 7.934 0.040 1
416 34 37 GLU CA C 54.451 0.450 1
417 34 37 GLU HA H 4.737 0.040 1
418 34 37 GLU CB C 33.169 0.450 1
419 34 37 GLU HB2 H 2.052 0.040 2
420 34 37 GLU HB3 H 2.052 0.040 2
421 34 37 GLU CG C 35.710 0.450 1
422 34 37 GLU HG2 H 2.328 0.040 2
423 34 37 GLU HG3 H 2.168 0.040 2
424 34 37 GLU C C 174.591 0.450 1
425 35 38 GLU N N 120.143 0.450 1
426 35 38 GLU H H 8.461 0.040 1
427 35 38 GLU CA C 55.461 0.450 1
428 35 38 GLU HA H 5.262 0.040 1
429 35 38 GLU CB C 32.532 0.450 1
430 35 38 GLU HB2 H 2.108 0.040 2
431 35 38 GLU HB3 H 1.936 0.040 2
432 35 38 GLU CG C 37.119 0.450 1
433 35 38 GLU HG2 H 2.287 0.040 2
434 35 38 GLU HG3 H 2.147 0.040 2
435 35 38 GLU C C 176.099 0.450 1
436 36 39 ARG N N 122.266 0.450 1
437 36 39 ARG H H 9.493 0.040 1
438 36 39 ARG CA C 54.293 0.450 1
439 36 39 ARG HA H 4.967 0.040 1
440 36 39 ARG CB C 35.709 0.450 1
441 36 39 ARG HB2 H 1.872 0.040 2
442 36 39 ARG HB3 H 1.504 0.040 2
443 36 39 ARG CG C 26.814 0.450 1
444 36 39 ARG HG2 H 1.649 0.040 2
445 36 39 ARG HG3 H 1.373 0.040 2
446 36 39 ARG CD C 43.046 0.450 1
447 36 39 ARG HD2 H 2.263 0.040 2
448 36 39 ARG HD3 H 1.862 0.040 2
449 36 39 ARG C C 174.314 0.450 1
450 37 40 LEU N N 125.818 0.450 1
451 37 40 LEU H H 8.075 0.040 1
452 37 40 LEU CA C 54.882 0.450 1
453 37 40 LEU HA H 3.550 0.040 1
454 37 40 LEU CB C 41.554 0.450 1
455 37 40 LEU HB2 H 1.210 0.040 2
456 37 40 LEU HB3 H 0.083 0.040 2
457 37 40 LEU CG C 25.999 0.450 1
458 37 40 LEU HG H 0.733 0.040 1
459 37 40 LEU HD1 H -0.172 0.040 2
460 37 40 LEU HD2 H 0.475 0.040 2
461 37 40 LEU CD1 C 21.388 0.450 1
462 37 40 LEU CD2 C 25.145 0.450 1
463 37 40 LEU C C 176.078 0.450 1
464 38 41 ALA N N 131.692 0.450 1
465 38 41 ALA H H 9.466 0.040 1
466 38 41 ALA CA C 50.098 0.450 1
467 38 41 ALA HA H 5.040 0.040 1
468 38 41 ALA HB H 0.858 0.040 1
469 38 41 ALA CB C 22.545 0.450 1
470 38 41 ALA C C 174.540 0.450 1
471 39 42 GLU N N 121.238 0.450 1
472 39 42 GLU H H 9.325 0.040 1
473 39 42 GLU CA C 53.835 0.450 1
474 39 42 GLU HA H 4.881 0.040 1
475 39 42 GLU CB C 33.160 0.450 1
476 39 42 GLU HB2 H 1.708 0.040 2
477 39 42 GLU HB3 H 1.914 0.040 2
478 39 42 GLU CG C 37.019 0.450 1
479 39 42 GLU HG2 H 1.919 0.040 2
480 39 42 GLU HG3 H 1.849 0.040 2
481 39 42 GLU C C 175.661 0.450 1
482 40 43 ILE N N 124.167 0.450 1
483 40 43 ILE H H 8.550 0.040 1
484 40 43 ILE CA C 59.516 0.450 1
485 40 43 ILE HA H 3.876 0.040 1
486 40 43 ILE CB C 35.361 0.450 1
487 40 43 ILE HB H 2.179 0.040 1
488 40 43 ILE HG2 H 0.757 0.040 1
489 40 43 ILE CG2 C 18.605 0.450 1
490 40 43 ILE CG1 C 26.186 0.450 1
491 40 43 ILE HG12 H 1.413 0.040 2
492 40 43 ILE HG13 H 1.006 0.040 2
493 40 43 ILE HD1 H 0.330 0.040 1
494 40 43 ILE CD1 C 9.260 0.450 1
495 40 43 ILE C C 175.858 0.450 1
496 41 44 LEU N N 129.595 0.450 1
497 41 44 LEU H H 9.475 0.040 1
498 41 44 LEU CA C 55.695 0.450 1
499 41 44 LEU HA H 4.549 0.040 1
500 41 44 LEU CB C 43.394 0.450 1
501 41 44 LEU HB2 H 1.674 0.040 2
502 41 44 LEU HB3 H 1.521 0.040 2
503 41 44 LEU CG C 26.944 0.450 1
504 41 44 LEU HG H 1.553 0.040 1
505 41 44 LEU HD1 H 0.703 0.040 2
506 41 44 LEU HD2 H 0.648 0.040 2
507 41 44 LEU CD1 C 22.098 0.450 1
508 41 44 LEU CD2 C 25.701 0.450 1
509 41 44 LEU C C 177.690 0.450 1
510 42 45 SER N N 110.494 0.450 1
511 42 45 SER H H 7.716 0.040 1
512 42 45 SER CA C 57.679 0.450 1
513 42 45 SER HA H 4.541 0.040 1
514 42 45 SER CB C 64.975 0.450 1
515 42 45 SER HB2 H 3.686 0.040 2
516 42 45 SER HB3 H 3.607 0.040 2
517 42 45 SER C C 172.123 0.450 1
518 43 46 ILE N N 123.887 0.450 1
519 43 46 ILE H H 8.651 0.040 1
520 43 46 ILE CA C 61.397 0.450 1
521 43 46 ILE HA H 4.603 0.040 1
522 43 46 ILE CB C 41.784 0.450 1
523 43 46 ILE HB H 1.675 0.040 1
524 43 46 ILE HG2 H 0.674 0.040 1
525 43 46 ILE CG2 C 17.138 0.450 1
526 43 46 ILE CG1 C 27.109 0.450 1
527 43 46 ILE HG12 H 0.973 0.040 2
528 43 46 ILE HG13 H 1.377 0.040 2
529 43 46 ILE HD1 H 0.883 0.040 1
530 43 46 ILE CD1 C 14.115 0.450 1
531 43 46 ILE C C 174.983 0.450 1
532 44 47 ASN N N 125.536 0.450 1
533 44 47 ASN H H 9.161 0.040 1
534 44 47 ASN CA C 51.602 0.450 1
535 44 47 ASN HA H 5.164 0.040 1
536 44 47 ASN CB C 39.116 0.450 1
537 44 47 ASN HB2 H 2.576 0.040 2
538 44 47 ASN HB3 H 2.727 0.040 2
539 44 47 ASN CG C 176.070 0.450 1
540 44 47 ASN ND2 N 109.903 0.450 1
541 44 47 ASN HD21 H 6.992 0.040 2
542 44 47 ASN HD22 H 6.695 0.040 2
543 44 47 ASN C C 176.080 0.450 1
544 45 48 THR N N 115.175 0.450 1
545 45 48 THR H H 8.740 0.040 1
546 45 48 THR CA C 60.792 0.450 1
547 45 48 THR HA H 4.407 0.040 1
548 45 48 THR CB C 68.262 0.450 1
549 45 48 THR HB H 4.612 0.040 1
550 45 48 THR HG2 H 1.162 0.040 1
551 45 48 THR CG2 C 21.842 0.450 1
552 45 48 THR C C 175.199 0.450 1
553 46 49 ARG N N 122.313 0.450 1
554 46 49 ARG H H 8.320 0.040 1
555 46 49 ARG CA C 58.244 0.450 1
556 46 49 ARG HA H 4.063 0.040 1
557 46 49 ARG CB C 29.778 0.450 1
558 46 49 ARG HB2 H 1.905 0.040 2
559 46 49 ARG HB3 H 1.859 0.040 2
560 46 49 ARG CG C 27.783 0.450 1
561 46 49 ARG HG2 H 1.721 0.040 2
562 46 49 ARG HG3 H 1.622 0.040 2
563 46 49 ARG CD C 42.942 0.450 1
564 46 49 ARG HD2 H 3.185 0.040 2
565 46 49 ARG HD3 H 3.185 0.040 2
566 46 49 ARG C C 176.950 0.450 1
567 47 50 LYS N N 116.589 0.450 1
568 47 50 LYS H H 7.230 0.040 1
569 47 50 LYS CA C 54.094 0.450 1
570 47 50 LYS HA H 4.335 0.040 1
571 47 50 LYS CB C 34.709 0.450 1
572 47 50 LYS HB2 H 1.711 0.040 2
573 47 50 LYS HB3 H 1.490 0.040 2
574 47 50 LYS CG C 24.458 0.450 1
575 47 50 LYS HG2 H 1.239 0.040 2
576 47 50 LYS HG3 H 1.239 0.040 2
577 47 50 LYS CD C 28.469 0.450 1
578 47 50 LYS HD2 H 1.600 0.040 2
579 47 50 LYS HD3 H 1.537 0.040 2
580 47 50 LYS CE C 41.409 0.450 1
581 47 50 LYS HE2 H 2.863 0.040 2
582 47 50 LYS HE3 H 2.838 0.040 2
583 47 50 LYS C C 173.662 0.450 1
584 48 51 ALA N N 123.569 0.450 1
585 48 51 ALA H H 8.158 0.040 1
586 48 51 ALA CA C 48.844 0.450 1
587 48 51 ALA HA H 4.413 0.040 1
588 48 51 ALA HB H 1.268 0.040 1
589 48 51 ALA CB C 19.620 0.450 1
590 49 52 PRO CD C 50.172 0.450 1
591 49 52 PRO CA C 61.960 0.450 1
592 49 52 PRO HA H 4.961 0.040 1
593 49 52 PRO CB C 32.580 0.450 1
594 49 52 PRO HB2 H 2.578 0.040 2
595 49 52 PRO HB3 H 2.340 0.040 2
596 49 52 PRO CG C 25.093 0.450 1
597 49 52 PRO HG2 H 2.015 0.040 2
598 49 52 PRO HG3 H 2.015 0.040 2
599 49 52 PRO HD2 H 3.586 0.040 2
600 49 52 PRO HD3 H 3.564 0.040 2
601 50 53 PRO CD C 50.336 0.450 1
602 50 53 PRO CA C 62.909 0.450 1
603 50 53 PRO HA H 4.553 0.040 1
604 50 53 PRO CB C 32.438 0.450 1
605 50 53 PRO HB2 H 1.990 0.040 2
606 50 53 PRO HB3 H 1.385 0.040 2
607 50 53 PRO CG C 27.413 0.450 1
608 50 53 PRO HG2 H 2.007 0.040 2
609 50 53 PRO HG3 H 1.943 0.040 2
610 50 53 PRO HD2 H 3.697 0.040 2
611 50 53 PRO HD3 H 3.796 0.040 2
612 50 53 PRO C C 175.647 0.450 1
613 51 54 LYS N N 115.089 0.450 1
614 51 54 LYS H H 7.485 0.040 1
615 51 54 LYS CA C 54.603 0.450 1
616 51 54 LYS HA H 5.184 0.040 1
617 51 54 LYS CB C 37.252 0.450 1
618 51 54 LYS HB2 H 1.547 0.040 2
619 51 54 LYS HB3 H 2.102 0.040 2
620 51 54 LYS CG C 25.626 0.450 1
621 51 54 LYS HG2 H 1.589 0.040 2
622 51 54 LYS HG3 H 1.424 0.040 2
623 51 54 LYS CD C 29.621 0.450 1
624 51 54 LYS HD2 H 1.503 0.040 2
625 51 54 LYS HD3 H 1.503 0.040 2
626 51 54 LYS CE C 41.374 0.450 1
627 51 54 LYS HE2 H 2.729 0.040 2
628 51 54 LYS HE3 H 2.678 0.040 2
629 51 54 LYS C C 175.199 0.450 1
630 52 55 PHE N N 118.341 0.450 1
631 52 55 PHE H H 8.854 0.040 1
632 52 55 PHE CA C 56.156 0.450 1
633 52 55 PHE HA H 5.317 0.040 1
634 52 55 PHE CB C 41.344 0.450 1
635 52 55 PHE HB2 H 2.662 0.040 2
636 52 55 PHE HB3 H 2.732 0.040 2
637 52 55 PHE CD1 C 131.613 0.450 1
638 52 55 PHE HD1 H 7.019 0.040 1
639 52 55 PHE CE1 C 131.574 0.450 1
640 52 55 PHE HE1 H 7.201 0.040 1
641 52 55 PHE CZ C 129.444 0.450 1
642 52 55 PHE HZ H 7.138 0.040 1
643 52 55 PHE CE2 C 131.574 0.450 1
644 52 55 PHE HE2 H 7.201 0.040 1
645 52 55 PHE CD2 C 131.613 0.450 1
646 52 55 PHE HD2 H 7.019 0.040 1
647 52 55 PHE C C 172.973 0.450 1
648 53 56 TYR N N 129.145 0.450 1
649 53 56 TYR H H 8.725 0.040 1
650 53 56 TYR CA C 56.381 0.450 1
651 53 56 TYR HA H 4.369 0.040 1
652 53 56 TYR CB C 37.707 0.450 1
653 53 56 TYR HB2 H 1.950 0.040 2
654 53 56 TYR HB3 H -0.030 0.040 2
655 53 56 TYR CD1 C 132.425 0.450 1
656 53 56 TYR HD1 H 5.646 0.040 1
657 53 56 TYR CE1 C 116.767 0.450 1
658 53 56 TYR HE1 H 6.444 0.040 1
659 53 56 TYR CE2 C 116.767 0.450 1
660 53 56 TYR HE2 H 6.444 0.040 1
661 53 56 TYR CD2 C 132.425 0.450 1
662 53 56 TYR HD2 H 5.646 0.040 1
663 53 56 TYR C C 175.421 0.450 1
664 54 57 VAL N N 119.533 0.450 1
665 54 57 VAL H H 8.294 0.040 1
666 54 57 VAL CA C 57.709 0.450 1
667 54 57 VAL HA H 5.158 0.040 1
668 54 57 VAL CB C 34.818 0.450 1
669 54 57 VAL HB H 1.404 0.040 1
670 54 57 VAL HG1 H 0.515 0.040 2
671 54 57 VAL HG2 H 0.195 0.040 2
672 54 57 VAL CG1 C 21.187 0.450 1
673 54 57 VAL CG2 C 17.192 0.450 1
674 54 57 VAL C C 172.278 0.450 1
675 55 58 HIS N N 115.772 0.450 1
676 55 58 HIS H H 8.030 0.040 1
677 55 58 HIS CA C 52.507 0.450 1
678 55 58 HIS HA H 4.896 0.040 1
679 55 58 HIS CB C 31.460 0.450 1
680 55 58 HIS HB2 H 2.975 0.040 2
681 55 58 HIS HB3 H 2.707 0.040 2
682 55 58 HIS CD2 C 119.311 0.450 1
683 55 58 HIS CE1 C 135.926 0.450 1
684 55 58 HIS HD2 H 7.081 0.040 1
685 55 58 HIS HE1 H 7.491 0.040 1
686 55 58 HIS C C 174.318 0.450 1
687 56 59 TYR N N 127.663 0.450 1
688 56 59 TYR H H 8.211 0.040 1
689 56 59 TYR CA C 58.913 0.450 1
690 56 59 TYR HA H 4.281 0.040 1
691 56 59 TYR CB C 36.403 0.450 1
692 56 59 TYR HB2 H 2.485 0.040 2
693 56 59 TYR HB3 H 2.485 0.040 2
694 56 59 TYR CD1 C 132.913 0.450 1
695 56 59 TYR HD1 H 6.741 0.040 1
696 56 59 TYR CE1 C 117.138 0.450 1
697 56 59 TYR HE1 H 6.494 0.040 1
698 56 59 TYR CE2 C 117.138 0.450 1
699 56 59 TYR HE2 H 6.494 0.040 1
700 56 59 TYR CD2 C 132.913 0.450 1
701 56 59 TYR HD2 H 6.741 0.040 1
702 57 60 VAL CA C 65.183 0.450 1
703 57 60 VAL HA H 3.357 0.040 1
704 57 60 VAL CB C 31.181 0.450 1
705 57 60 VAL HB H 1.695 0.040 1
706 57 60 VAL HG1 H 0.884 0.040 2
707 57 60 VAL HG2 H 0.786 0.040 2
708 57 60 VAL CG1 C 20.497 0.450 1
709 57 60 VAL CG2 C 20.909 0.450 1
710 57 60 VAL C C 177.832 0.450 1
711 58 61 ASN N N 118.666 0.450 1
712 58 61 ASN H H 9.158 0.040 1
713 58 61 ASN CA C 55.359 0.450 1
714 58 61 ASN CG C 177.606 0.450 1
715 58 61 ASN ND2 N 113.570 0.450 1
716 58 61 ASN HD21 H 7.555 0.040 2
717 58 61 ASN HD22 H 6.964 0.040 2
718 58 61 ASN C C 174.523 0.450 1
719 59 62 TYR N N 118.289 0.450 1
720 59 62 TYR H H 8.228 0.040 1
721 59 62 TYR CA C 57.225 0.450 1
722 59 62 TYR HA H 4.670 0.040 1
723 59 62 TYR CB C 40.994 0.450 1
724 59 62 TYR HB2 H 3.006 0.040 2
725 59 62 TYR HB3 H 3.006 0.040 2
726 59 62 TYR CD1 C 133.689 0.450 1
727 59 62 TYR HD1 H 7.011 0.040 1
728 59 62 TYR CE1 C 117.396 0.450 1
729 59 62 TYR HE1 H 6.740 0.040 1
730 59 62 TYR CE2 C 117.396 0.450 1
731 59 62 TYR HE2 H 6.740 0.040 1
732 59 62 TYR CD2 C 133.689 0.450 1
733 59 62 TYR HD2 H 7.011 0.040 1
734 59 62 TYR C C 175.424 0.450 1
735 60 63 ASN N N 119.626 0.450 1
736 60 63 ASN H H 8.749 0.040 1
737 60 63 ASN CA C 54.557 0.450 1
738 60 63 ASN HA H 4.634 0.040 1
739 60 63 ASN CB C 40.181 0.450 1
740 60 63 ASN HB2 H 3.007 0.040 2
741 60 63 ASN HB3 H 2.668 0.040 2
742 60 63 ASN CG C 176.736 0.450 1
743 60 63 ASN ND2 N 115.349 0.450 1
744 60 63 ASN HD21 H 8.128 0.040 2
745 60 63 ASN HD22 H 7.218 0.040 2
746 60 63 ASN C C 177.131 0.450 1
747 61 64 LYS N N 125.718 0.450 1
748 61 64 LYS H H 9.068 0.040 1
749 61 64 LYS CA C 58.133 0.450 1
750 61 64 LYS HA H 4.551 0.040 1
751 61 64 LYS CB C 32.189 0.450 1
752 61 64 LYS HB2 H 1.981 0.040 2
753 61 64 LYS HB3 H 1.834 0.040 2
754 61 64 LYS CG C 24.317 0.450 1
755 61 64 LYS HG2 H 1.497 0.040 2
756 61 64 LYS HG3 H 1.431 0.040 2
757 61 64 LYS CD C 29.263 0.450 1
758 61 64 LYS HD2 H 1.663 0.040 2
759 61 64 LYS HD3 H 1.663 0.040 2
760 61 64 LYS CE C 41.445 0.450 1
761 61 64 LYS HE2 H 2.968 0.040 2
762 61 64 LYS HE3 H 2.968 0.040 2
763 61 64 LYS C C 177.841 0.450 1
764 62 65 ARG N N 121.445 0.450 1
765 62 65 ARG H H 9.330 0.040 1
766 62 65 ARG CA C 58.249 0.450 1
767 62 65 ARG HA H 4.279 0.040 1
768 62 65 ARG CB C 29.312 0.450 1
769 62 65 ARG HB2 H 1.935 0.040 2
770 62 65 ARG HB3 H 1.871 0.040 2
771 62 65 ARG CG C 27.591 0.450 1
772 62 65 ARG HG2 H 1.680 0.040 2
773 62 65 ARG HG3 H 1.680 0.040 2
774 62 65 ARG CD C 43.031 0.450 1
775 62 65 ARG HD2 H 3.225 0.040 2
776 62 65 ARG HD3 H 3.189 0.040 2
777 62 65 ARG C C 177.176 0.450 1
778 63 66 LEU N N 118.911 0.450 1
779 63 66 LEU H H 7.824 0.040 1
780 63 66 LEU CA C 54.575 0.450 1
781 63 66 LEU HA H 4.423 0.040 1
782 63 66 LEU CB C 42.177 0.450 1
783 63 66 LEU HB2 H 2.116 0.040 2
784 63 66 LEU HB3 H 1.771 0.040 2
785 63 66 LEU CG C 27.911 0.450 1
786 63 66 LEU HG H 1.672 0.040 1
787 63 66 LEU HD1 H 0.996 0.040 2
788 63 66 LEU HD2 H 0.829 0.040 2
789 63 66 LEU CD1 C 25.879 0.450 1
790 63 66 LEU CD2 C 23.051 0.450 1
791 63 66 LEU C C 176.079 0.450 1
792 64 67 ASP N N 122.191 0.450 1
793 64 67 ASP H H 7.636 0.040 1
794 64 67 ASP CA C 55.736 0.450 1
795 64 67 ASP HA H 4.466 0.040 1
796 64 67 ASP CB C 38.724 0.450 1
797 64 67 ASP HB2 H 2.637 0.040 2
798 64 67 ASP HB3 H 2.203 0.040 2
799 64 67 ASP C C 176.509 0.450 1
800 65 68 GLU N N 115.669 0.450 1
801 65 68 GLU H H 7.522 0.040 1
802 65 68 GLU CA C 54.793 0.450 1
803 65 68 GLU HA H 4.842 0.040 1
804 65 68 GLU CB C 32.207 0.450 1
805 65 68 GLU HB2 H 2.154 0.040 2
806 65 68 GLU HB3 H 2.154 0.040 2
807 65 68 GLU CG C 33.571 0.450 1
808 65 68 GLU HG2 H 2.405 0.040 2
809 65 68 GLU HG3 H 2.405 0.040 2
810 65 68 GLU C C 174.319 0.450 1
811 66 69 TRP N N 120.329 0.450 1
812 66 69 TRP H H 8.802 0.040 1
813 66 69 TRP CA C 56.785 0.450 1
814 66 69 TRP HA H 5.450 0.040 1
815 66 69 TRP CB C 30.215 0.450 1
816 66 69 TRP HB2 H 3.307 0.040 2
817 66 69 TRP HB3 H 3.036 0.040 2
818 66 69 TRP CD1 C 128.255 0.450 1
819 66 69 TRP CE3 C 120.370 0.450 1
820 66 69 TRP NE1 N 131.585 0.450 1
821 66 69 TRP HD1 H 7.533 0.040 1
822 66 69 TRP HE3 H 7.412 0.040 1
823 66 69 TRP CZ3 C 122.448 0.450 1
824 66 69 TRP CZ2 C 115.464 0.450 1
825 66 69 TRP HE1 H 10.169 0.040 1
826 66 69 TRP HZ3 H 6.795 0.040 1
827 66 69 TRP CH2 C 123.988 0.450 1
828 66 69 TRP HZ2 H 7.290 0.040 1
829 66 69 TRP HH2 H 7.048 0.040 1
830 66 69 TRP C C 177.216 0.450 1
831 67 70 ILE N N 117.384 0.450 1
832 67 70 ILE H H 10.074 0.040 1
833 67 70 ILE CA C 59.192 0.450 1
834 67 70 ILE HA H 5.101 0.040 1
835 67 70 ILE CB C 42.507 0.450 1
836 67 70 ILE HB H 1.938 0.040 1
837 67 70 ILE HG2 H 0.923 0.040 1
838 67 70 ILE CG2 C 18.133 0.450 1
839 67 70 ILE CG1 C 26.353 0.450 1
840 67 70 ILE HG12 H 1.580 0.040 2
841 67 70 ILE HG13 H 1.305 0.040 2
842 67 70 ILE HD1 H 0.703 0.040 1
843 67 70 ILE CD1 C 15.897 0.450 1
844 67 70 ILE C C 175.207 0.450 1
845 68 71 THR N N 109.497 0.450 1
846 68 71 THR H H 7.331 0.040 1
847 68 71 THR CA C 59.916 0.450 1
848 68 71 THR HA H 5.014 0.040 1
849 68 71 THR CB C 70.215 0.450 1
850 68 71 THR HB H 4.654 0.040 1
851 68 71 THR HG2 H 1.366 0.040 1
852 68 71 THR CG2 C 22.878 0.450 1
853 68 71 THR C C 176.737 0.450 1
854 69 72 THR N N 114.999 0.450 1
855 69 72 THR H H 9.002 0.040 1
856 69 72 THR CA C 67.000 0.450 1
857 69 72 THR HA H 3.848 0.040 1
858 69 72 THR CB C 69.294 0.450 1
859 69 72 THR HB H 4.292 0.040 1
860 69 72 THR HG2 H 1.277 0.040 1
861 69 72 THR CG2 C 22.349 0.450 1
862 69 72 THR C C 175.904 0.450 1
863 70 73 ASP N N 117.509 0.450 1
864 70 73 ASP H H 8.541 0.040 1
865 70 73 ASP CA C 55.265 0.450 1
866 70 73 ASP HA H 4.446 0.040 1
867 70 73 ASP CB C 39.851 0.450 1
868 70 73 ASP HB2 H 2.783 0.040 2
869 70 73 ASP HB3 H 2.741 0.040 2
870 70 73 ASP C C 176.297 0.450 1
871 71 74 ARG N N 116.471 0.450 1
872 71 74 ARG H H 7.589 0.040 1
873 71 74 ARG CA C 55.987 0.450 1
874 71 74 ARG HA H 4.367 0.040 1
875 71 74 ARG CB C 30.784 0.450 1
876 71 74 ARG HB2 H 1.991 0.040 2
877 71 74 ARG HB3 H 2.443 0.040 2
878 71 74 ARG CG C 26.840 0.450 1
879 71 74 ARG HG2 H 1.805 0.040 2
880 71 74 ARG HG3 H 1.939 0.040 2
881 71 74 ARG CD C 43.449 0.450 1
882 71 74 ARG HD2 H 3.287 0.040 2
883 71 74 ARG HD3 H 3.406 0.040 2
884 71 74 ARG NE N 82.937 0.450 1
885 71 74 ARG HE H 7.159 0.040 1
886 71 74 ARG CZ C 159.906 0.450 1
887 71 74 ARG C C 176.298 0.450 1
888 72 75 ILE N N 119.917 0.450 1
889 72 75 ILE H H 7.518 0.040 1
890 72 75 ILE CA C 61.888 0.450 1
891 72 75 ILE HA H 4.157 0.040 1
892 72 75 ILE CB C 38.214 0.450 1
893 72 75 ILE HB H 1.798 0.040 1
894 72 75 ILE HG2 H 0.671 0.040 1
895 72 75 ILE CG2 C 17.224 0.450 1
896 72 75 ILE CG1 C 28.333 0.450 1
897 72 75 ILE HG12 H 1.511 0.040 2
898 72 75 ILE HG13 H 0.695 0.040 2
899 72 75 ILE HD1 H 0.269 0.040 1
900 72 75 ILE CD1 C 13.225 0.450 1
901 72 75 ILE C C 175.185 0.450 1
902 73 76 ASN N N 126.244 0.450 1
903 73 76 ASN H H 9.045 0.040 1
904 73 76 ASN CA C 51.652 0.450 1
905 73 76 ASN HA H 4.843 0.040 1
906 73 76 ASN CB C 37.028 0.450 1
907 73 76 ASN HB2 H 3.140 0.040 2
908 73 76 ASN HB3 H 2.621 0.040 2
909 73 76 ASN CG C 177.394 0.450 1
910 73 76 ASN ND2 N 112.467 0.450 1
911 73 76 ASN HD21 H 8.820 0.040 2
912 73 76 ASN HD22 H 7.089 0.040 2
913 73 76 ASN C C 175.858 0.450 1
914 74 77 LEU N N 124.765 0.450 1
915 74 77 LEU H H 8.598 0.040 1
916 74 77 LEU CA C 55.051 0.450 1
917 74 77 LEU HA H 4.484 0.040 1
918 74 77 LEU CB C 40.115 0.450 1
919 74 77 LEU HB2 H 1.844 0.040 2
920 74 77 LEU HB3 H 1.728 0.040 2
921 74 77 LEU CG C 26.484 0.450 1
922 74 77 LEU HG H 1.618 0.040 1
923 74 77 LEU HD1 H 0.765 0.040 2
924 74 77 LEU HD2 H 0.671 0.040 2
925 74 77 LEU CD1 C 25.516 0.450 1
926 74 77 LEU CD2 C 22.570 0.450 1
927 74 77 LEU C C 178.052 0.450 1
928 75 78 ASP N N 118.323 0.450 1
929 75 78 ASP H H 8.524 0.040 1
930 75 78 ASP CA C 55.636 0.450 1
931 75 78 ASP HA H 4.631 0.040 1
932 75 78 ASP CB C 40.849 0.450 1
933 75 78 ASP HB2 H 2.872 0.040 2
934 75 78 ASP HB3 H 2.707 0.040 2
935 75 78 ASP C C 176.731 0.450 1
936 76 79 LYS N N 118.512 0.450 1
937 76 79 LYS H H 6.980 0.040 1
938 76 79 LYS CA C 54.714 0.450 1
939 76 79 LYS HA H 4.378 0.040 1
940 76 79 LYS CB C 35.772 0.450 1
941 76 79 LYS HB2 H 1.671 0.040 2
942 76 79 LYS HB3 H 1.869 0.040 2
943 76 79 LYS CG C 26.358 0.450 1
944 76 79 LYS HG2 H 1.216 0.040 2
945 76 79 LYS HG3 H 1.082 0.040 2
946 76 79 LYS CD C 28.759 0.450 1
947 76 79 LYS HD2 H 1.107 0.040 2
948 76 79 LYS HD3 H 0.738 0.040 2
949 76 79 LYS CE C 41.258 0.450 1
950 76 79 LYS HE2 H 2.389 0.040 2
951 76 79 LYS HE3 H 2.246 0.040 2
952 76 79 LYS C C 175.421 0.450 1
953 77 80 GLU N N 118.897 0.450 1
954 77 80 GLU H H 8.727 0.040 1
955 77 80 GLU CA C 57.821 0.450 1
956 77 80 GLU HA H 4.017 0.040 1
957 77 80 GLU CB C 30.091 0.450 1
958 77 80 GLU HB2 H 1.961 0.040 2
959 77 80 GLU HB3 H 1.847 0.040 2
960 77 80 GLU CG C 36.707 0.450 1
961 77 80 GLU HG2 H 2.253 0.040 2
962 77 80 GLU HG3 H 2.253 0.040 2
963 77 80 GLU C C 175.447 0.450 1
964 78 81 VAL N N 122.746 0.450 1
965 78 81 VAL H H 8.898 0.040 1
966 78 81 VAL CA C 61.336 0.450 1
967 78 81 VAL HA H 4.434 0.040 1
968 78 81 VAL CB C 34.347 0.450 1
969 78 81 VAL HB H 2.132 0.040 1
970 78 81 VAL HG1 H 0.697 0.040 2
971 78 81 VAL HG2 H 1.085 0.040 2
972 78 81 VAL CG1 C 21.963 0.450 1
973 78 81 VAL CG2 C 21.829 0.450 1
974 78 81 VAL C C 174.759 0.450 1
975 79 82 LEU N N 126.518 0.450 1
976 79 82 LEU H H 8.875 0.040 1
977 79 82 LEU CA C 53.671 0.450 1
978 79 82 LEU HA H 4.946 0.040 1
979 79 82 LEU CB C 42.895 0.450 1
980 79 82 LEU HB2 H 1.437 0.040 2
981 79 82 LEU HB3 H 1.678 0.040 2
982 79 82 LEU CG C 27.293 0.450 1
983 79 82 LEU HG H 1.570 0.040 1
984 79 82 LEU HD1 H 0.857 0.040 2
985 79 82 LEU HD2 H 0.804 0.040 2
986 79 82 LEU CD1 C 24.370 0.450 1
987 79 82 LEU CD2 C 24.014 0.450 1
988 79 82 LEU C C 177.174 0.450 1
989 80 83 TYR N N 127.272 0.450 1
990 80 83 TYR H H 9.385 0.040 1
991 80 83 TYR CA C 56.008 0.450 1
992 80 83 TYR HA H 4.816 0.040 1
993 80 83 TYR CB C 38.797 0.450 1
994 80 83 TYR HB2 H 3.074 0.040 2
995 80 83 TYR HB3 H 3.034 0.040 2
996 80 83 TYR CD1 C 132.952 0.450 1
997 80 83 TYR HD1 H 7.236 0.040 1
998 80 83 TYR CE1 C 117.988 0.450 1
999 80 83 TYR HE1 H 6.707 0.040 1
1000 80 83 TYR CE2 C 117.988 0.450 1
1001 80 83 TYR HE2 H 6.707 0.040 1
1002 80 83 TYR CD2 C 132.952 0.450 1
1003 80 83 TYR HD2 H 7.236 0.040 1
1004 81 84 PRO CD C 50.672 0.450 1
1005 81 84 PRO CA C 62.163 0.450 1
1006 81 84 PRO HA H 4.523 0.040 1
1007 81 84 PRO CB C 32.142 0.450 1
1008 81 84 PRO HB2 H 2.152 0.040 2
1009 81 84 PRO HB3 H 1.953 0.040 2
1010 81 84 PRO CG C 27.147 0.450 1
1011 81 84 PRO HG2 H 2.061 0.040 2
1012 81 84 PRO HG3 H 2.061 0.040 2
1013 81 84 PRO HD2 H 3.746 0.040 2
1014 81 84 PRO HD3 H 3.478 0.040 2
1015 81 84 PRO C C 176.528 0.450 1
1016 82 85 LYS N N 121.567 0.450 1
1017 82 85 LYS H H 8.516 0.040 1
1018 82 85 LYS CA C 56.467 0.450 1
1019 82 85 LYS HA H 4.205 0.040 1
1020 82 85 LYS CB C 33.003 0.450 1
1021 82 85 LYS HB2 H 1.790 0.040 2
1022 82 85 LYS HB3 H 1.680 0.040 2
1023 82 85 LYS CG C 24.932 0.450 1
1024 82 85 LYS HG2 H 1.426 0.040 2
1025 82 85 LYS HG3 H 1.392 0.040 2
1026 82 85 LYS CD C 29.020 0.450 1
1027 82 85 LYS HD2 H 1.675 0.040 2
1028 82 85 LYS HD3 H 1.675 0.040 2
1029 82 85 LYS CE C 41.809 0.450 1
1030 82 85 LYS HE2 H 2.976 0.040 2
1031 82 85 LYS HE3 H 2.976 0.040 2
1032 82 85 LYS C C 176.368 0.450 1
1033 83 86 LEU N N 125.609 0.450 1
1034 83 86 LEU H H 8.382 0.040 1
1035 83 86 LEU CA C 54.744 0.450 1
1036 83 86 LEU HA H 4.392 0.040 1
1037 83 86 LEU CB C 42.575 0.450 1
1038 83 86 LEU HB2 H 1.634 0.040 2
1039 83 86 LEU HB3 H 1.555 0.040 2
1040 83 86 LEU CG C 26.875 0.450 1
1041 83 86 LEU HG H 1.643 0.040 1
1042 83 86 LEU HD1 H 0.925 0.040 2
1043 83 86 LEU HD2 H 0.870 0.040 2
1044 83 86 LEU CD1 C 24.931 0.450 1
1045 83 86 LEU CD2 C 23.460 0.450 1
1046 83 86 LEU C C 177.146 0.450 1
1047 84 87 LYS N N 123.080 0.450 1
1048 84 87 LYS H H 8.399 0.040 1
1049 84 87 LYS CA C 56.021 0.450 1
1050 84 87 LYS HA H 4.328 0.040 1
1051 84 87 LYS CB C 33.244 0.450 1
1052 84 87 LYS HB2 H 1.824 0.040 2
1053 84 87 LYS HB3 H 1.741 0.040 2
1054 84 87 LYS CG C 24.707 0.450 1
1055 84 87 LYS HG2 H 1.436 0.040 2
1056 84 87 LYS HG3 H 1.414 0.040 2
1057 84 87 LYS CD C 29.246 0.450 1
1058 84 87 LYS HD2 H 1.679 0.040 2
1059 84 87 LYS HD3 H 1.679 0.040 2
1060 84 87 LYS CE C 42.020 0.450 1
1061 84 87 LYS HE2 H 2.987 0.040 2
1062 84 87 LYS HE3 H 2.987 0.040 2
1063 84 87 LYS C C 176.298 0.450 1
1064 85 88 ALA N N 126.653 0.450 1
1065 85 88 ALA H H 8.590 0.040 1
1066 85 88 ALA CA C 52.525 0.450 1
1067 85 88 ALA HA H 4.381 0.040 1
1068 85 88 ALA HB H 1.432 0.040 1
1069 85 88 ALA CB C 19.337 0.450 1
1070 85 88 ALA C C 178.051 0.450 1
1071 86 89 THR N N 112.572 0.450 1
1072 86 89 THR H H 8.195 0.040 1
1073 86 89 THR CA C 61.514 0.450 1
1074 86 89 THR HA H 4.353 0.040 1
1075 86 89 THR CB C 69.782 0.450 1
1076 86 89 THR HB H 4.278 0.040 1
1077 86 89 THR HG2 H 1.212 0.040 1
1078 86 89 THR CG2 C 21.493 0.450 1
1079 86 89 THR C C 174.546 0.450 1
1080 87 90 ASP N N 121.744 0.450 1
1081 87 90 ASP H H 8.375 0.040 1
1082 87 90 ASP CA C 55.428 0.450 1
1083 87 90 ASP HA H 4.628 0.040 1
1084 87 90 ASP CB C 40.955 0.450 1
1085 87 90 ASP HB2 H 2.708 0.040 2
1086 87 90 ASP HB3 H 2.708 0.040 2
1087 87 90 ASP C C 176.024 0.450 1
1088 88 91 GLU N N 120.663 0.450 1
1089 88 91 GLU H H 8.160 0.040 1
1090 88 91 GLU CA C 56.189 0.450 1
1091 88 91 GLU HA H 4.336 0.040 1
1092 88 91 GLU CB C 30.487 0.450 1
1093 88 91 GLU HB2 H 2.104 0.040 2
1094 88 91 GLU HB3 H 1.887 0.040 2
1095 88 91 GLU CG C 36.358 0.450 1
1096 88 91 GLU HG2 H 2.246 0.040 2
1097 88 91 GLU HG3 H 2.246 0.040 2
1098 88 91 GLU C C 175.417 0.450 1
1099 89 92 ASP N N 127.010 0.450 1
1100 89 92 ASP H H 8.020 0.040 1
1101 89 92 ASP CA C 56.103 0.450 1
1102 89 92 ASP HA H 4.365 0.040 1
1103 89 92 ASP CB C 42.192 0.450 1
1104 89 92 ASP HB2 H 2.666 0.040 2
1105 89 92 ASP HB3 H 2.557 0.040 2
stop_
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