data_27453
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR resonance assignments for an Legionella pneumophila ProQ-homolog
;
_BMRB_accession_number 27453
_BMRB_flat_file_name bmr27453.str
_Entry_type original
_Submission_date 2018-04-16
_Accession_date 2018-04-16
_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 Immer Carina . .
2 Hacker Carolin . .
3 Woehnert Jens . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 710
"13C chemical shifts" 530
"15N chemical shifts" 121
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2019-02-19 update BMRB 'update entry citation'
2018-09-18 original author 'original release'
stop_
_Original_release_date 2018-04-16
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
NMR resonance assignments for a ProQ homolog from Legionella pneumophila
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 29934867
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Immer Carina . .
2 Hacker Carolin . .
3 Woehnert Jens . .
stop_
_Journal_abbreviation 'Biomol. NMR Assignments'
_Journal_volume 12
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 319
_Page_last 322
_Year 2018
_Details .
loop_
_Keyword
NMR-assignments
'ProQ/FinO domain'
'RNA-binding proteins'
'posttranscriptional regulation'
sRNA
'triple resonance experiments'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name Lpp1663
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
Lpp1663 $Lpp1663
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_Lpp1663
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Lpp1663
_Molecular_mass 14151
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 122
_Mol_residue_sequence
;
GSNQQLNATKKDKLQVIDWL
IENFPNAFFKKGNQVKPLKI
GIFDDLIDFYERLDTPPFSK
KSLREALSYYSASPAYLSCQ
KPDTARVDIYGNEVDVVTPE
QAKYAYQRYQERYGNKKSQD
LK
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 ASN 4 GLN 5 GLN
6 LEU 7 ASN 8 ALA 9 THR 10 LYS
11 LYS 12 ASP 13 LYS 14 LEU 15 GLN
16 VAL 17 ILE 18 ASP 19 TRP 20 LEU
21 ILE 22 GLU 23 ASN 24 PHE 25 PRO
26 ASN 27 ALA 28 PHE 29 PHE 30 LYS
31 LYS 32 GLY 33 ASN 34 GLN 35 VAL
36 LYS 37 PRO 38 LEU 39 LYS 40 ILE
41 GLY 42 ILE 43 PHE 44 ASP 45 ASP
46 LEU 47 ILE 48 ASP 49 PHE 50 TYR
51 GLU 52 ARG 53 LEU 54 ASP 55 THR
56 PRO 57 PRO 58 PHE 59 SER 60 LYS
61 LYS 62 SER 63 LEU 64 ARG 65 GLU
66 ALA 67 LEU 68 SER 69 TYR 70 TYR
71 SER 72 ALA 73 SER 74 PRO 75 ALA
76 TYR 77 LEU 78 SER 79 CYS 80 GLN
81 LYS 82 PRO 83 ASP 84 THR 85 ALA
86 ARG 87 VAL 88 ASP 89 ILE 90 TYR
91 GLY 92 ASN 93 GLU 94 VAL 95 ASP
96 VAL 97 VAL 98 THR 99 PRO 100 GLU
101 GLN 102 ALA 103 LYS 104 TYR 105 ALA
106 TYR 107 GLN 108 ARG 109 TYR 110 GLN
111 GLU 112 ARG 113 TYR 114 GLY 115 ASN
116 LYS 117 LYS 118 SER 119 GLN 120 ASP
121 LEU 122 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$Lpp1663 'Legionella pneumophila' 446 Bacteria . Legionella pneumophila
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Variant
_Vector_name
$Lpp1663 'recombinant technology' . Escherichia coli BL21 'DE3 Gold' pET11a
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_15N
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Lpp1663 400 uM [U-15N]
'sodium phosphate' 50 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
D2O 10 % 'natural abundance'
DSS 50 uM 'natural abundance'
beta-mercaptoethanol 2 mM 'natural abundance'
stop_
save_
save_13C15N
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Lpp1663 400 uM '[U-13C; U-15N]'
'sodium phosphate' 50 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
D2O 10 % 'natural abundance'
DSS 50 uM 'natural abundance'
beta-mercaptoethanol 2 mM 'natural abundance'
stop_
save_
save_15N_Lys
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Lpp1663 400 uM [U-15N]-Lys
'sodium phosphate' 50 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
D2O 10 % 'natural abundance'
DSS 50 uM 'natural abundance'
beta-mercaptoethanol 2 mM 'natural abundance'
stop_
save_
save_15N_Tyr
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Lpp1663 400 uM [U-15N]-Tyr
'sodium phosphate' 50 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
D2O 10 % 'natural abundance'
DSS 50 uM 'natural abundance'
beta-mercaptoethanol 2 mM 'natural abundance'
stop_
save_
save_15N_Phe_13C_Pro
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Lpp1663 400 uM '[U-15N]-Phe [U-13C]-Pro'
'sodium phosphate' 50 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
D2O 10 % 'natural abundance'
DSS 50 uM 'natural abundance'
beta-mercaptoethanol 2 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version 3.2
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_CARA
_Saveframe_category software
_Name CARA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Keller and Wuthrich' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_600_MHz
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details 'cryogenic triple resonance probes'
save_
save_700_MHz
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 700
_Details .
save_
save_800_MHz
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $15N
save_
save_2D_1H-13C_HSQC_aromatic_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aromatic'
_Sample_label $13C15N
save_
save_3D_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $13C15N
save_
save_3D_HCACO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCACO'
_Sample_label $13C15N
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $13C15N
save_
save_3D_HBHA(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $13C15N
save_
save_3D_HCCH-TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $13C15N
save_
save_3D_H(CCO)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $13C15N
save_
save_3D_C(CO)NH_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $13C15N
save_
save_3D_1H-15N_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $15N
save_
save_3D_1H-13C_NOESY_aliphatic_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aliphatic'
_Sample_label $13C15N
save_
save_3D_1H-13C_NOESY_aromatic_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aromatic'
_Sample_label $13C15N
save_
save_2D_1H-13C_HSQC_aliphatic_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aliphatic'
_Sample_label $13C15N
save_
save_2D_1H-15N_HSQC_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $15N_Lys
save_
save_2D_1H-15N_HSQC_15
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $15N_Tyr
save_
save_2D_1H-15N_HSQC_16
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $15N_Phe_13C_Pro
save_
save_2D_1H-13C_HSQC_17
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $15N_Phe_13C_Pro
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.1 . M
pH 6.5 . pH
pressure 1 . atm
temperature 298 . 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 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na 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'
'2D 1H-13C HSQC aromatic'
'3D HNCO'
'3D HCACO'
'3D HNCACB'
'3D HBHA(CO)NH'
'3D HCCH-TOCSY'
'3D H(CCO)NH'
'3D C(CO)NH'
'3D 1H-15N NOESY'
'3D 1H-13C NOESY aliphatic'
'3D 1H-13C NOESY aromatic'
'2D 1H-13C HSQC aliphatic'
'2D 1H-13C HSQC'
stop_
loop_
_Sample_label
$15N
$13C15N
$15N_Lys
$15N_Tyr
$15N_Phe_13C_Pro
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name Lpp1663
_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 3 3 ASN HA H 4.71 0.02 1
2 3 3 ASN HB2 H 2.856 0.02 2
3 3 3 ASN HB3 H 2.815 0.02 2
4 3 3 ASN C C 175.424 0.3 2
5 3 3 ASN CA C 53.337 0.3 1
6 3 3 ASN CB C 38.532 0.3 1
7 4 4 GLN H H 8.403 0.02 1
8 4 4 GLN HA H 4.289 0.02 1
9 4 4 GLN HB2 H 2.109 0.02 2
10 4 4 GLN HB3 H 1.987 0.02 2
11 4 4 GLN HG2 H 2.36 0.02 1
12 4 4 GLN HG3 H 2.36 0.02 1
13 4 4 GLN HE21 H 6.873 0.02 1
14 4 4 GLN HE22 H 7.549 0.02 1
15 4 4 GLN C C 176.111 0.3 1
16 4 4 GLN CA C 56.282 0.3 1
17 4 4 GLN CB C 29.096 0.3 1
18 4 4 GLN CG C 33.848 0.3 1
19 4 4 GLN N N 120.609 0.3 1
20 4 4 GLN NE2 N 112.491 0.3 1
21 5 5 GLN H H 8.402 0.02 1
22 5 5 GLN HA H 4.298 0.02 1
23 5 5 GLN HB2 H 2.111 0.02 2
24 5 5 GLN HB3 H 1.987 0.02 2
25 5 5 GLN HG2 H 2.355 0.02 1
26 5 5 GLN HG3 H 2.355 0.02 1
27 5 5 GLN C C 176.156 0.3 1
28 5 5 GLN CA C 56.075 0.3 1
29 5 5 GLN CB C 29.178 0.3 1
30 5 5 GLN CG C 33.759 0.3 1
31 5 5 GLN NE2 N 112.491 0.3 1
32 5 5 GLN HE22 H 7.549 0.02 1
33 5 5 GLN HE21 H 6.873 0.02 1
34 5 5 GLN N N 121.198 0.3 1
35 6 6 LEU H H 8.235 0.02 1
36 6 6 LEU HA H 4.297 0.02 1
37 6 6 LEU HB2 H 1.586 0.02 1
38 6 6 LEU HB3 H 1.586 0.02 1
39 6 6 LEU HG H 1.594 0.02 1
40 6 6 LEU HD1 H 0.914 0.02 2
41 6 6 LEU HD2 H 0.859 0.02 2
42 6 6 LEU C C 177.291 0.3 1
43 6 6 LEU CA C 55.565 0.3 1
44 6 6 LEU CB C 42.24 0.3 1
45 6 6 LEU CG C 26.898 0.3 1
46 6 6 LEU CD1 C 24.956 0.3 1
47 6 6 LEU CD2 C 23.451 0.3 1
48 6 6 LEU N N 123.117 0.3 1
49 7 7 ASN H H 8.399 0.02 1
50 7 7 ASN HA H 4.667 0.02 1
51 7 7 ASN HB2 H 2.807 0.02 2
52 7 7 ASN HB3 H 2.757 0.02 2
53 7 7 ASN HD21 H 7.622 0.02 1
54 7 7 ASN HD22 H 6.945 0.02 1
55 7 7 ASN C C 175.075 0.3 1
56 7 7 ASN CA C 53.327 0.3 1
57 7 7 ASN CB C 38.758 0.3 1
58 7 7 ASN N N 119.116 0.3 1
59 7 7 ASN ND2 N 112.991 0.3 1
60 8 8 ALA H H 8.259 0.02 1
61 8 8 ALA HA H 4.346 0.02 1
62 8 8 ALA HB H 1.395 0.02 1
63 8 8 ALA C C 178.03 0.3 1
64 8 8 ALA CA C 52.861 0.3 1
65 8 8 ALA CB C 19.15 0.3 1
66 8 8 ALA N N 124.24 0.3 1
67 9 9 THR H H 8.173 0.02 1
68 9 9 THR HA H 4.295 0.02 1
69 9 9 THR HB H 4.248 0.02 1
70 9 9 THR HG2 H 1.225 0.02 1
71 9 9 THR C C 174.794 0.3 1
72 9 9 THR CA C 62.15 0.3 1
73 9 9 THR CB C 69.927 0.3 1
74 9 9 THR CG2 C 21.737 0.3 1
75 9 9 THR N N 113.073 0.3 1
76 10 10 LYS H H 8.296 0.02 1
77 10 10 LYS HA H 4.261 0.02 1
78 10 10 LYS HB2 H 1.806 0.02 2
79 10 10 LYS HB3 H 1.759 0.02 2
80 10 10 LYS HG2 H 1.446 0.02 2
81 10 10 LYS HG3 H 1.379 0.02 2
82 10 10 LYS HD2 H 1.666 0.02 1
83 10 10 LYS HD3 H 1.666 0.02 1
84 10 10 LYS HE2 H 2.991 0.02 1
85 10 10 LYS HE3 H 2.991 0.02 1
86 10 10 LYS C C 176.661 0.3 1
87 10 10 LYS CA C 56.814 0.3 1
88 10 10 LYS CB C 32.859 0.3 1
89 10 10 LYS CG C 24.805 0.3 1
90 10 10 LYS CD C 29.09 0.3 1
91 10 10 LYS CE C 42.044 0.3 1
92 10 10 LYS N N 123.63 0.3 1
93 11 11 LYS H H 8.284 0.02 1
94 11 11 LYS HA H 4.295 0.02 1
95 11 11 LYS HB2 H 1.762 0.02 1
96 11 11 LYS HB3 H 1.762 0.02 1
97 11 11 LYS HG2 H 1.528 0.02 2
98 11 11 LYS HG3 H 1.433 0.02 2
99 11 11 LYS HD2 H 1.656 0.02 1
100 11 11 LYS HD3 H 1.656 0.02 1
101 11 11 LYS HE2 H 2.82 0.02 1
102 11 11 LYS HE3 H 2.82 0.02 1
103 11 11 LYS C C 176.632 0.3 1
104 11 11 LYS CA C 56.857 0.3 1
105 11 11 LYS CB C 33.296 0.3 1
106 11 11 LYS CG C 25.024 0.3 1
107 11 11 LYS CD C 29.12 0.3 1
108 11 11 LYS CE C 42.342 0.3 1
109 11 11 LYS N N 121.595 0.3 1
110 12 12 ASP H H 8.232 0.02 1
111 12 12 ASP HA H 4.54 0.02 1
112 12 12 ASP HB2 H 2.826 0.02 2
113 12 12 ASP HB3 H 2.674 0.02 2
114 12 12 ASP C C 177.191 0.3 1
115 12 12 ASP CA C 54.449 0.3 1
116 12 12 ASP CB C 41.775 0.3 1
117 12 12 ASP N N 121.191 0.3 1
118 13 13 LYS H H 8.265 0.02 1
119 13 13 LYS HA H 4.31 0.02 1
120 13 13 LYS HB2 H 1.676 0.02 2
121 13 13 LYS HB3 H 1.548 0.02 2
122 13 13 LYS HG2 H 1.581 0.02 1
123 13 13 LYS HG3 H 1.581 0.02 1
124 13 13 LYS HD2 H 1.657 0.02 2
125 13 13 LYS HD3 H 1.738 0.02 2
126 13 13 LYS HE2 H 3.03 0.02 1
127 13 13 LYS HE3 H 3.03 0.02 1
128 13 13 LYS C C 177.561 0.3 1
129 13 13 LYS CA C 58.836 0.3 1
130 13 13 LYS CB C 32.491 0.3 1
131 13 13 LYS CG C 25.082 0.3 1
132 13 13 LYS CD C 29.091 0.3 1
133 13 13 LYS CE C 42.03 0.3 1
134 13 13 LYS N N 119.399 0.3 1
135 14 14 LEU H H 8.01 0.02 1
136 14 14 LEU HA H 4.064 0.02 1
137 14 14 LEU HB2 H 1.874 0.02 2
138 14 14 LEU HB3 H 1.557 0.02 2
139 14 14 LEU HG H 1.618 0.02 1
140 14 14 LEU HD1 H 0.923 0.02 2
141 14 14 LEU HD2 H 0.794 0.02 2
142 14 14 LEU C C 179.667 0.3 1
143 14 14 LEU CA C 57.406 0.3 1
144 14 14 LEU CB C 40.486 0.3 1
145 14 14 LEU CG C 27.303 0.3 1
146 14 14 LEU CD1 C 24.993 0.3 1
147 14 14 LEU CD2 C 22.537 0.3 1
148 14 14 LEU N N 119.357 0.3 1
149 15 15 GLN H H 8.042 0.02 1
150 15 15 GLN HA H 4.276 0.02 1
151 15 15 GLN HB2 H 2.291 0.02 2
152 15 15 GLN HB3 H 2.122 0.02 2
153 15 15 GLN HG2 H 2.461 0.02 2
154 15 15 GLN HG3 H 2.606 0.02 2
155 15 15 GLN HE21 H 7.653 0.02 1
156 15 15 GLN HE22 H 6.883 0.02 1
157 15 15 GLN C C 179.385 0.3 1
158 15 15 GLN CA C 58.285 0.3 1
159 15 15 GLN CB C 28.755 0.3 1
160 15 15 GLN CG C 34.471 0.3 1
161 15 15 GLN N N 119.891 0.3 1
162 15 15 GLN NE2 N 111.942 0.3 1
163 16 16 VAL H H 7.892 0.02 1
164 16 16 VAL HA H 3.269 0.02 1
165 16 16 VAL HB H 1.751 0.02 1
166 16 16 VAL HG1 H 0.167 0.02 2
167 16 16 VAL HG2 H 0.09 0.02 2
168 16 16 VAL C C 177.91 0.3 1
169 16 16 VAL CA C 65.974 0.3 1
170 16 16 VAL CB C 30.188 0.3 1
171 16 16 VAL CG1 C 21.889 0.3 1
172 16 16 VAL CG2 C 21.591 0.3 1
173 16 16 VAL N N 122.017 0.3 1
174 17 17 ILE H H 8.024 0.02 1
175 17 17 ILE HA H 3.623 0.02 1
176 17 17 ILE HB H 2.115 0.02 1
177 17 17 ILE HG12 H 1.928 0.02 1
178 17 17 ILE HG13 H 1.928 0.02 1
179 17 17 ILE HG2 H 1.139 0.02 1
180 17 17 ILE HD1 H 1.244 0.02 1
181 17 17 ILE C C 177.194 0.3 1
182 17 17 ILE CA C 65.57 0.3 1
183 17 17 ILE CB C 37.093 0.3 1
184 17 17 ILE CG1 C 30.52 0.3 1
185 17 17 ILE CG2 C 17.556 0.3 1
186 17 17 ILE CD1 C 14.012 0.3 1
187 17 17 ILE N N 120.79 0.3 1
188 18 18 ASP H H 7.734 0.02 1
189 18 18 ASP HA H 4.462 0.02 1
190 18 18 ASP HB2 H 2.861 0.02 2
191 18 18 ASP HB3 H 2.687 0.02 2
192 18 18 ASP C C 178.601 0.3 1
193 18 18 ASP CA C 57.943 0.3 1
194 18 18 ASP CB C 39.872 0.3 1
195 18 18 ASP N N 119.18 0.3 1
196 19 19 TRP H H 7.735 0.02 1
197 19 19 TRP HA H 4.225 0.02 1
198 19 19 TRP HB2 H 3.909 0.02 2
199 19 19 TRP HB3 H 3.329 0.02 2
200 19 19 TRP HD1 H 7.448 0.02 1
201 19 19 TRP HE1 H 10.465 0.02 1
202 19 19 TRP HE3 H 7.306 0.02 1
203 19 19 TRP HZ2 H 7.563 0.02 1
204 19 19 TRP C C 179.347 0.3 1
205 19 19 TRP CA C 61.94 0.3 1
206 19 19 TRP CB C 28.91 0.3 1
207 19 19 TRP CD1 C 123.926 0.3 1
208 19 19 TRP CE3 C 119.081 0.3 1
209 19 19 TRP CZ2 C 110.901 0.3 1
210 19 19 TRP N N 122.721 0.3 1
211 20 20 LEU H H 8.662 0.02 1
212 20 20 LEU HA H 3.702 0.02 1
213 20 20 LEU HB2 H 1.807 0.02 1
214 20 20 LEU HB3 H 1.807 0.02 1
215 20 20 LEU HG H 1.813 0.02 1
216 20 20 LEU HD1 H 0.125 0.02 2
217 20 20 LEU HD2 H 0.633 0.02 2
218 20 20 LEU C C 177.701 0.3 1
219 20 20 LEU CA C 58.472 0.3 1
220 20 20 LEU CB C 40.446 0.3 1
221 20 20 LEU CG C 26.147 0.3 1
222 20 20 LEU CD1 C 24.311 0.3 1
223 20 20 LEU CD2 C 23.71 0.3 1
224 20 20 LEU N N 124.042 0.3 1
225 21 21 ILE H H 8.066 0.02 1
226 21 21 ILE HA H 3.454 0.02 1
227 21 21 ILE HB H 1.719 0.02 1
228 21 21 ILE HG12 H 1.673 0.02 1
229 21 21 ILE HG13 H 1.673 0.02 1
230 21 21 ILE HG2 H 0.848 0.02 1
231 21 21 ILE HD1 H 0.848 0.02 1
232 21 21 ILE C C 177.028 0.3 1
233 21 21 ILE CA C 64.53 0.3 1
234 21 21 ILE CB C 38.657 0.3 1
235 21 21 ILE CG1 C 29.435 0.3 1
236 21 21 ILE CG2 C 17.021 0.3 1
237 21 21 ILE CD1 C 14.779 0.3 1
238 21 21 ILE N N 119.154 0.3 1
239 22 22 GLU H H 7.673 0.02 1
240 22 22 GLU HA H 3.815 0.02 1
241 22 22 GLU HB2 H 1.959 0.02 2
242 22 22 GLU HB3 H 1.758 0.02 2
243 22 22 GLU HG2 H 2.139 0.02 1
244 22 22 GLU HG3 H 2.139 0.02 1
245 22 22 GLU C C 178.33 0.3 1
246 22 22 GLU CA C 58.467 0.3 1
247 22 22 GLU CB C 29.844 0.3 1
248 22 22 GLU CG C 35.857 0.3 1
249 22 22 GLU N N 115.918 0.3 1
250 23 23 ASN H H 7.506 0.02 1
251 23 23 ASN HA H 3.778 0.02 1
252 23 23 ASN HB2 H 1.059 0.02 2
253 23 23 ASN HB3 H 0.574 0.02 2
254 23 23 ASN HD21 H 6 0.02 1
255 23 23 ASN HD22 H 6 0.02 1
256 23 23 ASN C C 173.868 0.3 1
257 23 23 ASN CA C 55.861 0.3 1
258 23 23 ASN CB C 39.377 0.3 1
259 23 23 ASN N N 113.88 0.3 1
260 23 23 ASN ND2 N 113.229 0.3 1
261 24 24 PHE H H 8.04 0.02 1
262 24 24 PHE HA H 3.779 0.02 1
263 24 24 PHE HD1 H 7.548 0.02 1
264 24 24 PHE HD2 H 7.548 0.02 1
265 24 24 PHE HE1 H 7.419 0.02 1
266 24 24 PHE HE2 H 7.419 0.02 1
267 24 24 PHE HZ H 7.341 0.02 1
268 24 24 PHE C C 174.143 0.3 1
269 24 24 PHE CA C 55.912 0.3 1
270 24 24 PHE CD1 C 128.255 0.3 1
271 24 24 PHE CD2 C 128.255 0.3 1
272 24 24 PHE CE1 C 128.145 0.3 1
273 24 24 PHE CE2 C 128.145 0.3 1
274 24 24 PHE CZ C 126.999 0.3 1
275 24 24 PHE N N 118.17 0.3 1
276 25 25 PRO HA H 4.696 0.02 1
277 25 25 PRO HB2 H 2.402 0.02 1
278 25 25 PRO HB3 H 2.402 0.02 1
279 25 25 PRO HG2 H 1.902 0.02 2
280 25 25 PRO HG3 H 1.637 0.02 2
281 25 25 PRO HD2 H 3.432 0.02 2
282 25 25 PRO HD3 H 3.1 0.02 2
283 25 25 PRO C C 177.281 0.3 1
284 25 25 PRO CA C 64.129 0.3 1
285 25 25 PRO CB C 32.505 0.3 1
286 25 25 PRO CG C 26.789 0.3 1
287 25 25 PRO CD C 50.4 0.3 1
288 26 26 ASN H H 8.522 0.02 1
289 26 26 ASN HA H 4.946 0.02 1
290 26 26 ASN HB2 H 2.987 0.02 2
291 26 26 ASN HB3 H 2.548 0.02 2
292 26 26 ASN HD21 H 7.155 0.02 2
293 26 26 ASN HD22 H 7.078 0.02 2
294 26 26 ASN C C 173.705 0.3 1
295 26 26 ASN CA C 52.808 0.3 1
296 26 26 ASN CB C 39.101 0.3 1
297 26 26 ASN N N 115.51 0.3 1
298 26 26 ASN ND2 N 113.398 0.3 1
299 27 27 ALA H H 7.654 0.02 1
300 27 27 ALA HA H 4.449 0.02 1
301 27 27 ALA HB H 1.012 0.02 1
302 27 27 ALA C C 173.252 0.3 1
303 27 27 ALA CA C 53.013 0.3 1
304 27 27 ALA CB C 22.908 0.3 1
305 27 27 ALA N N 121.607 0.3 1
306 28 28 PHE H H 7.296 0.02 1
307 28 28 PHE HA H 4.616 0.02 1
308 28 28 PHE HB2 H 2.34 0.02 2
309 28 28 PHE HB3 H 2.266 0.02 2
310 28 28 PHE HD1 H 6.515 0.02 1
311 28 28 PHE HD2 H 6.515 0.02 1
312 28 28 PHE HE1 H 6.579 0.02 1
313 28 28 PHE HE2 H 6.579 0.02 1
314 28 28 PHE HZ H 6.72 0.02 1
315 28 28 PHE C C 173.308 0.3 1
316 28 28 PHE CA C 56.622 0.3 1
317 28 28 PHE CB C 41.493 0.3 1
318 28 28 PHE CD1 C 128.704 0.3 1
319 28 28 PHE CD2 C 128.704 0.3 1
320 28 28 PHE CE1 C 126.546 0.3 1
321 28 28 PHE CE2 C 126.546 0.3 1
322 28 28 PHE CZ C 124.346 0.3 1
323 28 28 PHE N N 115.105 0.3 1
324 29 29 PHE H H 8.265 0.02 1
325 29 29 PHE HA H 4.659 0.02 1
326 29 29 PHE HB2 H 3.271 0.02 2
327 29 29 PHE HB3 H 2.514 0.02 2
328 29 29 PHE HD1 H 7.139 0.02 1
329 29 29 PHE HE1 H 7.042 0.02 1
330 29 29 PHE HE2 H 7.042 0.02 1
331 29 29 PHE HZ H 7.022 0.02 1
332 29 29 PHE C C 174.419 0.3 1
333 29 29 PHE CA C 57.13 0.3 1
334 29 29 PHE CB C 43.751 0.3 1
335 29 29 PHE CD1 C 125.853 0.3 1
336 29 29 PHE CE1 C 126.767 0.3 1
337 29 29 PHE CE2 C 126.767 0.3 1
338 29 29 PHE CZ C 125.166 0.3 1
339 29 29 PHE N N 117.681 0.3 1
340 30 30 LYS H H 8.732 0.02 1
341 30 30 LYS HA H 4.316 0.02 1
342 30 30 LYS HB2 H 1.923 0.02 1
343 30 30 LYS HB3 H 1.923 0.02 1
344 30 30 LYS HG2 H 1.575 0.02 1
345 30 30 LYS HG3 H 1.575 0.02 1
346 30 30 LYS HD2 H 1.775 0.02 1
347 30 30 LYS HD3 H 1.775 0.02 1
348 30 30 LYS HE2 H 3.027 0.02 1
349 30 30 LYS HE3 H 3.027 0.02 1
350 30 30 LYS C C 177.151 0.3 1
351 30 30 LYS CA C 56.989 0.3 1
352 30 30 LYS CB C 34.254 0.3 1
353 30 30 LYS CG C 25.102 0.3 1
354 30 30 LYS CD C 29.034 0.3 1
355 30 30 LYS CE C 42.012 0.3 1
356 30 30 LYS N N 119.575 0.3 1
357 31 31 LYS H H 8.244 0.02 1
358 31 31 LYS HA H 4.405 0.02 1
359 31 31 LYS HB2 H 1.902 0.02 1
360 31 31 LYS HB3 H 1.78 0.02 1
361 31 31 LYS C C 178.131 0.3 1
362 31 31 LYS N N 119.35 0.3 1
363 32 32 GLY H H 8.811 0.02 2
364 32 32 GLY HA2 H 3.93 0.02 2
365 32 32 GLY HA3 H 3.657 0.02 2
366 32 32 GLY C C 175.116 0.3 1
367 32 32 GLY CA C 47.429 0.3 1
368 32 32 GLY N N 112.548 0.3 1
369 33 33 ASN H H 8.303 0.02 1
370 33 33 ASN HA H 4.429 0.02 1
371 33 33 ASN HB2 H 2.961 0.02 2
372 33 33 ASN HB3 H 2.726 0.02 2
373 33 33 ASN HD21 H 7.527 0.02 1
374 33 33 ASN HD22 H 6.791 0.02 1
375 33 33 ASN C C 175.402 0.3 1
376 33 33 ASN CA C 54.061 0.3 1
377 33 33 ASN CB C 37.229 0.3 1
378 33 33 ASN N N 115.298 0.3 1
379 33 33 ASN ND2 N 111.714 0.3 1
380 34 34 GLN H H 7.787 0.02 1
381 34 34 GLN HA H 4.025 0.02 1
382 34 34 GLN HB2 H 1.896 0.02 2
383 34 34 GLN HB3 H 1.68 0.02 2
384 34 34 GLN HG2 H 2.218 0.02 2
385 34 34 GLN HG3 H 2.144 0.02 2
386 34 34 GLN C C 174.184 0.3 1
387 34 34 GLN CA C 55.216 0.3 1
388 34 34 GLN CB C 30.451 0.3 1
389 34 34 GLN CG C 34.52 0.3 1
390 34 34 GLN N N 117.453 0.3 1
391 35 35 VAL H H 6.667 0.02 1
392 35 35 VAL HA H 3.422 0.02 1
393 35 35 VAL HB H 1.886 0.02 1
394 35 35 VAL HG1 H 1.132 0.02 2
395 35 35 VAL HG2 H 1.104 0.02 2
396 35 35 VAL C C 174.641 0.3 1
397 35 35 VAL CA C 65.222 0.3 1
398 35 35 VAL CB C 32.767 0.3 1
399 35 35 VAL CG1 C 22.892 0.3 1
400 35 35 VAL CG2 C 22.13 0.3 1
401 35 35 VAL N N 117.137 0.3 1
402 36 36 LYS H H 7.699 0.02 1
403 36 36 LYS C C 173.816 0.3 1
404 36 36 LYS CA C 53.417 0.3 1
405 36 36 LYS CB C 35.341 0.3 1
406 36 36 LYS N N 124.266 0.3 1
407 37 37 PRO HA H 4.37 0.02 1
408 37 37 PRO HB2 H 1.986 0.02 1
409 37 37 PRO HB3 H 1.986 0.02 1
410 37 37 PRO HG2 H 1.52 0.02 2
411 37 37 PRO HG3 H 0.682 0.02 2
412 37 37 PRO HD2 H 3.548 0.02 2
413 37 37 PRO HD3 H 2.595 0.02 2
414 37 37 PRO C C 174.707 0.3 1
415 37 37 PRO CA C 63.07 0.3 1
416 37 37 PRO CB C 30.838 0.3 1
417 37 37 PRO CG C 25.896 0.3 1
418 37 37 PRO CD C 49.936 0.3 1
419 38 38 LEU H H 8.513 0.02 1
420 38 38 LEU HA H 4.998 0.02 1
421 38 38 LEU HB2 H 1.432 0.02 2
422 38 38 LEU HB3 H 1.946 0.02 2
423 38 38 LEU HG H 2.132 0.02 1
424 38 38 LEU HD1 H 0.788 0.02 2
425 38 38 LEU HD2 H 0.485 0.02 2
426 38 38 LEU C C 178.047 0.3 1
427 38 38 LEU CA C 53.337 0.3 1
428 38 38 LEU CB C 44.584 0.3 1
429 38 38 LEU CG C 26.653 0.3 1
430 38 38 LEU CD1 C 26.411 0.3 1
431 38 38 LEU CD2 C 21.767 0.3 1
432 38 38 LEU N N 121.399 0.3 1
433 39 39 LYS H H 8.593 0.02 1
434 39 39 LYS HA H 3.814 0.02 1
435 39 39 LYS HB2 H 1.585 0.02 2
436 39 39 LYS HB3 H 1.313 0.02 2
437 39 39 LYS HG2 H 1.195 0.02 1
438 39 39 LYS HG3 H 1.195 0.02 1
439 39 39 LYS HD2 H 1.549 0.02 1
440 39 39 LYS HD3 H 1.549 0.02 1
441 39 39 LYS HE2 H 3.029 0.02 2
442 39 39 LYS HE3 H 2.802 0.02 2
443 39 39 LYS C C 176.039 0.3 1
444 39 39 LYS CA C 56.444 0.3 1
445 39 39 LYS CB C 34.242 0.3 1
446 39 39 LYS CG C 23.695 0.3 1
447 39 39 LYS CD C 30.181 0.3 1
448 39 39 LYS CE C 41.983 0.3 1
449 39 39 LYS N N 121.319 0.3 1
450 40 40 ILE H H 9.462 0.02 1
451 40 40 ILE HA H 4.03 0.02 1
452 40 40 ILE HB H 2.049 0.02 1
453 40 40 ILE HG12 H 1.504 0.02 1
454 40 40 ILE HG13 H 1.504 0.02 1
455 40 40 ILE HG2 H 0.956 0.02 1
456 40 40 ILE HD1 H 0.859 0.02 1
457 40 40 ILE C C 178.309 0.3 1
458 40 40 ILE CA C 61.524 0.3 1
459 40 40 ILE CB C 35.302 0.3 1
460 40 40 ILE CG1 C 27.513 0.3 1
461 40 40 ILE CG2 C 17.045 0.3 1
462 40 40 ILE CD1 C 9.742 0.3 1
463 40 40 ILE N N 129.323 0.3 1
464 41 41 GLY H H 9.083 0.02 1
465 41 41 GLY HA2 H 4.293 0.02 2
466 41 41 GLY HA3 H 4.062 0.02 2
467 41 41 GLY C C 176.399 0.3 1
468 41 41 GLY CA C 45.563 0.3 1
469 41 41 GLY N N 115.514 0.3 1
470 42 42 ILE H H 7.384 0.02 1
471 42 42 ILE HA H 4.048 0.02 1
472 42 42 ILE HB H 2.431 0.02 1
473 42 42 ILE HG12 H 1.554 0.02 2
474 42 42 ILE HG13 H 1.314 0.02 2
475 42 42 ILE HG2 H 1.087 0.02 1
476 42 42 ILE HD1 H 0.953 0.02 1
477 42 42 ILE C C 175.787 0.3 1
478 42 42 ILE CA C 63.328 0.3 1
479 42 42 ILE CB C 37.915 0.3 1
480 42 42 ILE CG1 C 30.067 0.3 1
481 42 42 ILE CG2 C 17.945 0.3 1
482 42 42 ILE CD1 C 16.13 0.3 1
483 42 42 ILE N N 120.919 0.3 1
484 43 43 PHE H H 9.026 0.02 1
485 43 43 PHE HA H 4.038 0.02 1
486 43 43 PHE HB2 H 3.219 0.02 2
487 43 43 PHE HB3 H 2.842 0.02 2
488 43 43 PHE HD1 H 7.107 0.02 1
489 43 43 PHE C C 176.147 0.3 1
490 43 43 PHE CA C 61.841 0.3 1
491 43 43 PHE CB C 39.061 0.3 1
492 43 43 PHE CD1 C 127.445 0.3 1
493 43 43 PHE N N 122.409 0.3 1
494 44 44 ASP H H 7.541 0.02 1
495 44 44 ASP HA H 4.15 0.02 1
496 44 44 ASP HB2 H 2.709 0.02 2
497 44 44 ASP HB3 H 2.685 0.02 2
498 44 44 ASP C C 178.703 0.3 1
499 44 44 ASP CA C 57.392 0.3 1
500 44 44 ASP CB C 39.9 0.3 1
501 44 44 ASP N N 116.318 0.3 1
502 45 45 ASP H H 7.165 0.02 1
503 45 45 ASP HA H 4.426 0.02 1
504 45 45 ASP HB2 H 2.852 0.02 2
505 45 45 ASP HB3 H 2.706 0.02 2
506 45 45 ASP C C 179.446 0.3 1
507 45 45 ASP CA C 56.83 0.3 1
508 45 45 ASP CB C 40.159 0.3 1
509 45 45 ASP N N 119.975 0.3 1
510 46 46 LEU H H 7.966 0.02 1
511 46 46 LEU HA H 4.002 0.02 1
512 46 46 LEU HB2 H 2.01 0.02 2
513 46 46 LEU HB3 H 1.281 0.02 2
514 46 46 LEU HG H 1.553 0.02 1
515 46 46 LEU HD1 H 0.91 0.02 2
516 46 46 LEU HD2 H 0.469 0.02 2
517 46 46 LEU C C 178.787 0.3 1
518 46 46 LEU CA C 57.598 0.3 1
519 46 46 LEU CB C 42.307 0.3 1
520 46 46 LEU CG C 26.685 0.3 1
521 46 46 LEU CD1 C 26.692 0.3 1
522 46 46 LEU CD2 C 24.277 0.3 1
523 46 46 LEU N N 121.808 0.3 1
524 47 47 ILE H H 8.278 0.02 1
525 47 47 ILE HA H 3.744 0.02 1
526 47 47 ILE HB H 1.897 0.02 1
527 47 47 ILE HG12 H 0.845 0.02 1
528 47 47 ILE HG13 H 0.845 0.02 1
529 47 47 ILE HG2 H 0.797 0.02 1
530 47 47 ILE HD1 H 0.339 0.02 1
531 47 47 ILE C C 177.49 0.3 1
532 47 47 ILE CA C 61.646 0.3 1
533 47 47 ILE CB C 34.863 0.3 1
534 47 47 ILE CG1 C 26.312 0.3 1
535 47 47 ILE CG2 C 17.667 0.3 1
536 47 47 ILE CD1 C 9.541 0.3 1
537 47 47 ILE N N 120.998 0.3 1
538 48 48 ASP H H 7.637 0.02 1
539 48 48 ASP HA H 4.387 0.02 1
540 48 48 ASP HB2 H 2.842 0.02 2
541 48 48 ASP HB3 H 2.758 0.02 2
542 48 48 ASP C C 177.991 0.3 1
543 48 48 ASP CA C 57.65 0.3 1
544 48 48 ASP CB C 41.152 0.3 1
545 48 48 ASP N N 120.239 0.3 1
546 49 49 PHE H H 7.469 0.02 1
547 49 49 PHE HA H 4.133 0.02 1
548 49 49 PHE HB2 H 3.505 0.02 2
549 49 49 PHE HB3 H 3.188 0.02 2
550 49 49 PHE HD1 H 6.811 0.02 1
551 49 49 PHE HD2 H 6.811 0.02 1
552 49 49 PHE HE1 H 6.285 0.02 1
553 49 49 PHE HE2 H 6.285 0.02 1
554 49 49 PHE HZ H 6.407 0.02 1
555 49 49 PHE C C 177.888 0.3 1
556 49 49 PHE CA C 61.729 0.3 1
557 49 49 PHE CB C 39.597 0.3 1
558 49 49 PHE CD1 C 128.169 0.3 1
559 49 49 PHE CD2 C 128.169 0.3 1
560 49 49 PHE CE1 C 126.714 0.3 1
561 49 49 PHE CE2 C 126.714 0.3 1
562 49 49 PHE CZ C 126.052 0.3 1
563 49 49 PHE N N 118.354 0.3 1
564 50 50 TYR H H 9.153 0.02 1
565 50 50 TYR HA H 3.967 0.02 1
566 50 50 TYR HB2 H 3.063 0.02 1
567 50 50 TYR HB3 H 3.063 0.02 1
568 50 50 TYR HD1 H 6.744 0.02 1
569 50 50 TYR HD2 H 6.744 0.02 1
570 50 50 TYR HE1 H 6.517 0.02 1
571 50 50 TYR C C 178.08 0.3 1
572 50 50 TYR CA C 61.177 0.3 1
573 50 50 TYR CB C 39.746 0.3 1
574 50 50 TYR CD1 C 128.512 0.3 1
575 50 50 TYR CD2 C 128.512 0.3 1
576 50 50 TYR CE1 C 113.977 0.3 1
577 50 50 TYR N N 121.629 0.3 1
578 51 51 GLU H H 8.733 0.02 1
579 51 51 GLU HA H 4.112 0.02 1
580 51 51 GLU HB2 H 2.163 0.02 1
581 51 51 GLU HB3 H 2.163 0.02 1
582 51 51 GLU HG2 H 2.743 0.02 2
583 51 51 GLU HG3 H 2.505 0.02 2
584 51 51 GLU C C 177.127 0.3 1
585 51 51 GLU CA C 58.246 0.3 1
586 51 51 GLU CB C 29.533 0.3 1
587 51 51 GLU CG C 37.28 0.3 1
588 51 51 GLU N N 117.073 0.3 1
589 52 52 ARG H H 7.322 0.02 1
590 52 52 ARG HA H 4.235 0.02 1
591 52 52 ARG HB2 H 1.888 0.02 2
592 52 52 ARG HB3 H 1.633 0.02 2
593 52 52 ARG HD2 H 3.092 0.02 1
594 52 52 ARG HD3 H 3.092 0.02 1
595 52 52 ARG C C 176.829 0.3 1
596 52 52 ARG CA C 56.191 0.3 1
597 52 52 ARG CB C 30.427 0.3 1
598 52 52 ARG CG C 27.545 0.3 1
599 52 52 ARG CD C 43.435 0.3 1
600 52 52 ARG N N 116.32 0.3 1
601 53 53 LEU H H 7.217 0.02 1
602 53 53 LEU HA H 4.124 0.02 1
603 53 53 LEU HB2 H 1.514 0.02 2
604 53 53 LEU HB3 H 1.113 0.02 2
605 53 53 LEU HG H 1.719 0.02 1
606 53 53 LEU HD1 H 0.909 0.02 2
607 53 53 LEU HD2 H 0.8 0.02 2
608 53 53 LEU C C 177.134 0.3 1
609 53 53 LEU CA C 54.367 0.3 1
610 53 53 LEU CB C 41.73 0.3 1
611 53 53 LEU CG C 25.825 0.3 1
612 53 53 LEU CD1 C 25.877 0.3 1
613 53 53 LEU CD2 C 22.248 0.3 1
614 53 53 LEU N N 120.177 0.3 1
615 54 54 ASP H H 8.428 0.02 1
616 54 54 ASP HA H 4.354 0.02 1
617 54 54 ASP HB2 H 2.651 0.02 2
618 54 54 ASP HB3 H 2.586 0.02 2
619 54 54 ASP C C 176.623 0.3 1
620 54 54 ASP CA C 56.065 0.3 1
621 54 54 ASP CB C 41.11 0.3 1
622 54 54 ASP N N 122.376 0.3 1
623 55 55 THR H H 8 0.02 1
624 55 55 THR HA H 4.305 0.02 1
625 55 55 THR HB H 3.986 0.02 1
626 55 55 THR HG2 H 1.046 0.02 1
627 55 55 THR C C 171.567 0.3 1
628 55 55 THR CA C 58.787 0.3 1
629 55 55 THR CB C 69.767 0.3 1
630 55 55 THR CG2 C 21.306 0.3 1
631 55 55 THR N N 113.066 0.3 1
632 56 56 PRO HA H 4.151 0.02 1
633 56 56 PRO HB2 H 1.569 0.02 2
634 56 56 PRO HB3 H 1.398 0.02 2
635 56 56 PRO HG2 H 1.742 0.02 1
636 56 56 PRO HG3 H 1.742 0.02 1
637 56 56 PRO HD2 H 3.468 0.02 2
638 56 56 PRO HD3 H 3.252 0.02 2
639 56 56 PRO CA C 60.228 0.3 1
640 56 56 PRO CB C 30.976 0.3 1
641 56 56 PRO CG C 27.185 0.3 1
642 56 56 PRO CD C 50.23 0.3 1
643 57 57 PRO HA H 4.12 0.02 1
644 57 57 PRO HB2 H 1.895 0.02 1
645 57 57 PRO HB3 H 1.895 0.02 1
646 57 57 PRO HG2 H 1.76 0.02 1
647 57 57 PRO HG3 H 1.76 0.02 1
648 57 57 PRO HD2 H 3.786 0.02 1
649 57 57 PRO HD3 H 3.786 0.02 1
650 57 57 PRO CA C 62.904 0.3 1
651 57 57 PRO CD C 50.409 0.3 1
652 59 59 SER HA H 4.456 0.02 1
653 59 59 SER HB2 H 3.866 0.02 1
654 59 59 SER HB3 H 3.866 0.02 1
655 59 59 SER CA C 57.538 0.3 1
656 59 59 SER CB C 62.675 0.3 1
657 60 60 LYS H H 8.979 0.02 1
658 60 60 LYS HA H 3.532 0.02 1
659 60 60 LYS HB2 H 1.755 0.02 1
660 60 60 LYS HB3 H 1.755 0.02 1
661 60 60 LYS HG2 H 0.723 0.02 1
662 60 60 LYS HG3 H 0.723 0.02 1
663 60 60 LYS HD2 H 1.737 0.02 1
664 60 60 LYS HD3 H 1.737 0.02 1
665 60 60 LYS HE2 H 3.089 0.02 2
666 60 60 LYS HE3 H 2.823 0.02 2
667 60 60 LYS C C 178.922 0.3 1
668 60 60 LYS CA C 60.789 0.3 1
669 60 60 LYS CB C 32.432 0.3 1
670 60 60 LYS CG C 26.667 0.3 1
671 60 60 LYS CD C 30.062 0.3 1
672 60 60 LYS CE C 41.985 0.3 1
673 60 60 LYS N N 121.815 0.3 1
674 61 61 LYS H H 8.219 0.02 1
675 61 61 LYS HA H 3.993 0.02 1
676 61 61 LYS C C 178.647 0.3 1
677 61 61 LYS CA C 59.637 0.3 1
678 61 61 LYS CB C 32.366 0.3 1
679 61 61 LYS N N 119.787 0.3 1
680 62 62 SER H H 8.15 0.02 1
681 62 62 SER HA H 4.014 0.02 1
682 62 62 SER HB2 H 3.718 0.02 1
683 62 62 SER HB3 H 3.718 0.02 1
684 62 62 SER C C 178.617 0.3 1
685 62 62 SER CA C 62.254 0.3 1
686 62 62 SER N N 116.608 0.3 1
687 63 63 LEU H H 7.735 0.02 1
688 63 63 LEU HA H 3.913 0.02 1
689 63 63 LEU HB2 H 2.189 0.02 2
690 63 63 LEU HB3 H 1.453 0.02 2
691 63 63 LEU HG H 1.637 0.02 1
692 63 63 LEU HD1 H 0.743 0.02 2
693 63 63 LEU HD2 H 0.864 0.02 2
694 63 63 LEU C C 177.222 0.3 1
695 63 63 LEU CA C 58.194 0.3 1
696 63 63 LEU CB C 41.202 0.3 1
697 63 63 LEU CG C 27.112 0.3 1
698 63 63 LEU CD1 C 25.617 0.3 1
699 63 63 LEU CD2 C 23.101 0.3 1
700 63 63 LEU N N 123.24 0.3 1
701 64 64 ARG H H 8.233 0.02 1
702 64 64 ARG HA H 3.673 0.02 1
703 64 64 ARG HB2 H 1.997 0.02 2
704 64 64 ARG HB3 H 1.775 0.02 2
705 64 64 ARG HG2 H 1.434 0.02 2
706 64 64 ARG HG3 H 1.136 0.02 2
707 64 64 ARG HD2 H 2.821 0.02 2
708 64 64 ARG HD3 H 2.593 0.02 2
709 64 64 ARG C C 179.497 0.3 1
710 64 64 ARG CA C 59.539 0.3 1
711 64 64 ARG CB C 30.224 0.3 1
712 64 64 ARG CG C 26.467 0.3 1
713 64 64 ARG CD C 42.995 0.3 1
714 64 64 ARG N N 119.587 0.3 1
715 65 65 GLU H H 8.431 0.02 1
716 65 65 GLU HA H 4 0.02 1
717 65 65 GLU HB2 H 2.092 0.02 2
718 65 65 GLU HB3 H 1.951 0.02 2
719 65 65 GLU HG2 H 2.362 0.02 1
720 65 65 GLU HG3 H 2.362 0.02 1
721 65 65 GLU C C 179.59 0.3 1
722 65 65 GLU CA C 59.191 0.3 1
723 65 65 GLU CB C 29.754 0.3 1
724 65 65 GLU CG C 36.543 0.3 1
725 65 65 GLU N N 119.023 0.3 1
726 66 66 ALA H H 8.373 0.02 1
727 66 66 ALA HA H 4.016 0.02 1
728 66 66 ALA HB H 1.477 0.02 1
729 66 66 ALA C C 179.14 0.3 1
730 66 66 ALA CA C 55.368 0.3 1
731 66 66 ALA CB C 19.255 0.3 1
732 66 66 ALA N N 123.234 0.3 1
733 67 67 LEU H H 8.312 0.02 1
734 67 67 LEU HA H 4.043 0.02 1
735 67 67 LEU HB2 H 1.895 0.02 2
736 67 67 LEU HB3 H 1.457 0.02 2
737 67 67 LEU HG H 1.639 0.02 1
738 67 67 LEU HD1 H 1.011 0.02 2
739 67 67 LEU HD2 H 0.973 0.02 2
740 67 67 LEU C C 180.127 0.3 1
741 67 67 LEU CA C 57.656 0.3 1
742 67 67 LEU CB C 41.436 0.3 1
743 67 67 LEU CG C 27 0.3 1
744 67 67 LEU CD1 C 26.411 0.3 1
745 67 67 LEU CD2 C 23.47 0.3 1
746 67 67 LEU N N 118.562 0.3 1
747 68 68 SER H H 8.36 0.02 1
748 68 68 SER HA H 4.141 0.02 1
749 68 68 SER HB2 H 3.96 0.02 1
750 68 68 SER HB3 H 3.96 0.02 1
751 68 68 SER C C 176.916 0.3 1
752 68 68 SER CA C 61.844 0.3 1
753 68 68 SER N N 117.151 0.3 1
754 69 69 TYR H H 8.085 0.02 1
755 69 69 TYR HA H 4.214 0.02 1
756 69 69 TYR HB2 H 3.181 0.02 1
757 69 69 TYR HB3 H 3.181 0.02 1
758 69 69 TYR HD1 H 7.099 0.02 1
759 69 69 TYR HD2 H 7.099 0.02 1
760 69 69 TYR HE1 H 6.866 0.02 1
761 69 69 TYR HE2 H 6.866 0.02 1
762 69 69 TYR C C 178.829 0.3 1
763 69 69 TYR CA C 61.512 0.3 1
764 69 69 TYR CB C 38.328 0.3 1
765 69 69 TYR CD1 C 129.219 0.3 1
766 69 69 TYR CD2 C 129.219 0.3 1
767 69 69 TYR CE1 C 114.512 0.3 1
768 69 69 TYR CE2 C 114.512 0.3 1
769 69 69 TYR N N 122.855 0.3 1
770 70 70 TYR H H 8.957 0.02 1
771 70 70 TYR HA H 4.034 0.02 1
772 70 70 TYR HB2 H 3.18 0.02 1
773 70 70 TYR HB3 H 3.18 0.02 1
774 70 70 TYR HD1 H 7.121 0.02 1
775 70 70 TYR HD2 H 7.121 0.02 1
776 70 70 TYR HE1 H 6.864 0.02 1
777 70 70 TYR HE2 H 6.864 0.02 1
778 70 70 TYR C C 177.656 0.3 1
779 70 70 TYR CA C 62.003 0.3 1
780 70 70 TYR CB C 39.342 0.3 1
781 70 70 TYR CD1 C 129.354 0.3 1
782 70 70 TYR CD2 C 129.354 0.3 1
783 70 70 TYR CE1 C 114.732 0.3 1
784 70 70 TYR CE2 C 114.732 0.3 1
785 70 70 TYR N N 121.853 0.3 1
786 71 71 SER H H 7.882 0.02 1
787 71 71 SER HA H 3.736 0.02 1
788 71 71 SER HB2 H 3.858 0.02 1
789 71 71 SER HB3 H 3.858 0.02 1
790 71 71 SER C C 172.533 0.3 1
791 71 71 SER CA C 58.692 0.3 1
792 71 71 SER CB C 62.783 0.3 1
793 71 71 SER N N 109.216 0.3 1
794 72 72 ALA H H 7.295 0.02 1
795 72 72 ALA HA H 4.624 0.02 1
796 72 72 ALA HB H 1.406 0.02 1
797 72 72 ALA C C 177.077 0.3 1
798 72 72 ALA CA C 50.572 0.3 1
799 72 72 ALA CB C 19.69 0.3 1
800 72 72 ALA N N 121.609 0.3 1
801 73 73 SER H H 7.208 0.02 1
802 73 73 SER HA H 4.426 0.02 1
803 73 73 SER HB2 H 4.262 0.02 1
804 73 73 SER HB3 H 4.262 0.02 1
805 73 73 SER C C 171.828 0.3 1
806 73 73 SER CA C 56.9 0.3 1
807 73 73 SER CB C 62.756 0.3 1
808 73 73 SER N N 118.16 0.3 1
809 74 74 PRO HA H 3.953 0.02 1
810 74 74 PRO HB2 H 1.848 0.02 2
811 74 74 PRO HB3 H 1.516 0.02 2
812 74 74 PRO HG2 H 0.724 0.02 1
813 74 74 PRO HG3 H 0.724 0.02 1
814 74 74 PRO HD2 H 3.794 0.02 2
815 74 74 PRO HD3 H 3.478 0.02 2
816 74 74 PRO C C 179.588 0.3 1
817 74 74 PRO CA C 65.749 0.3 1
818 74 74 PRO CB C 30.996 0.3 1
819 74 74 PRO CG C 26.655 0.3 1
820 74 74 PRO CD C 49.318 0.3 1
821 75 75 ALA H H 7.945 0.02 1
822 75 75 ALA HA H 3.946 0.02 1
823 75 75 ALA HB H 1.41 0.02 1
824 75 75 ALA C C 179.721 0.3 1
825 75 75 ALA CA C 54.709 0.3 1
826 75 75 ALA CB C 19.319 0.3 1
827 75 75 ALA N N 118.563 0.3 1
828 76 76 TYR H H 8.181 0.02 1
829 76 76 TYR HA H 4.021 0.02 1
830 76 76 TYR HB2 H 2.857 0.02 2
831 76 76 TYR HB3 H 2.76 0.02 2
832 76 76 TYR HD1 H 6.958 0.02 1
833 76 76 TYR HD2 H 6.958 0.02 1
834 76 76 TYR HE1 H 7.198 0.02 1
835 76 76 TYR HE2 H 7.198 0.02 1
836 76 76 TYR C C 179.474 0.3 1
837 76 76 TYR CA C 61.304 0.3 1
838 76 76 TYR CB C 38.847 0.3 1
839 76 76 TYR CD1 C 129.639 0.3 1
840 76 76 TYR CD2 C 129.639 0.3 1
841 76 76 TYR CE1 C 114.383 0.3 1
842 76 76 TYR CE2 C 114.383 0.3 1
843 76 76 TYR N N 120.195 0.3 1
844 77 77 LEU H H 8.344 0.02 1
845 77 77 LEU HA H 4.062 0.02 1
846 77 77 LEU HB2 H 2.059 0.02 2
847 77 77 LEU HB3 H 1.737 0.02 2
848 77 77 LEU HG H 2.096 0.02 1
849 77 77 LEU HD1 H 1.011 0.02 2
850 77 77 LEU HD2 H 1.12 0.02 2
851 77 77 LEU C C 179.408 0.3 1
852 77 77 LEU CA C 58 0.3 1
853 77 77 LEU CB C 42.285 0.3 1
854 77 77 LEU CG C 26.704 0.3 1
855 77 77 LEU CD1 C 25.964 0.3 1
856 77 77 LEU CD2 C 22.289 0.3 1
857 77 77 LEU N N 117.751 0.3 1
858 78 78 SER H H 7.946 0.02 1
859 78 78 SER HA H 3.972 0.02 1
860 78 78 SER HB2 H 3.69 0.02 2
861 78 78 SER HB3 H 3.504 0.02 2
862 78 78 SER C C 175.215 0.3 1
863 78 78 SER CA C 60.639 0.3 1
864 78 78 SER CB C 63.046 0.3 1
865 78 78 SER N N 111.042 0.3 1
866 79 79 CYS H H 7.315 0.02 1
867 79 79 CYS HA H 4.616 0.02 1
868 79 79 CYS HB2 H 2.949 0.02 2
869 79 79 CYS HB3 H 2.771 0.02 2
870 79 79 CYS C C 175.57 0.3 1
871 79 79 CYS CA C 58.636 0.3 1
872 79 79 CYS CB C 26.772 0.3 1
873 79 79 CYS N N 115.313 0.3 1
874 80 80 GLN H H 6.699 0.02 1
875 80 80 GLN HA H 4.019 0.02 1
876 80 80 GLN HB2 H 1.968 0.02 2
877 80 80 GLN HB3 H 1.877 0.02 2
878 80 80 GLN HG2 H 2.362 0.02 1
879 80 80 GLN HG3 H 2.362 0.02 1
880 80 80 GLN C C 173.34 0.3 1
881 80 80 GLN CA C 55.279 0.3 1
882 80 80 GLN CB C 28.429 0.3 1
883 80 80 GLN CG C 35.816 0.3 1
884 80 80 GLN N N 122.947 0.3 1
885 81 81 LYS H H 7.288 0.02 1
886 81 81 LYS HA H 4.582 0.02 1
887 81 81 LYS HB2 H 1.823 0.02 1
888 81 81 LYS HB3 H 1.823 0.02 1
889 81 81 LYS HG2 H 1.407 0.02 1
890 81 81 LYS HG3 H 1.407 0.02 1
891 81 81 LYS HD2 H 1.605 0.02 1
892 81 81 LYS HD3 H 1.605 0.02 1
893 81 81 LYS HE2 H 2.956 0.02 1
894 81 81 LYS HE3 H 2.956 0.02 1
895 81 81 LYS C C 174.941 0.3 1
896 81 81 LYS CA C 53.34 0.3 1
897 81 81 LYS CB C 31.819 0.3 1
898 81 81 LYS CG C 25.079 0.3 1
899 81 81 LYS CD C 28.866 0.3 1
900 81 81 LYS CE C 42.186 0.3 1
901 81 81 LYS N N 124.455 0.3 1
902 82 82 PRO HA H 3.803 0.02 1
903 82 82 PRO HB2 H 1.968 0.02 2
904 82 82 PRO HB3 H 1.912 0.02 2
905 82 82 PRO HG2 H 2.175 0.02 2
906 82 82 PRO HG3 H 1.776 0.02 2
907 82 82 PRO HD2 H 3.682 0.02 2
908 82 82 PRO HD3 H 3.55 0.02 2
909 82 82 PRO C C 176.295 0.3 1
910 82 82 PRO CA C 64.149 0.3 1
911 82 82 PRO CB C 31.435 0.3 1
912 82 82 PRO CG C 28.02 0.3 1
913 82 82 PRO CD C 50.146 0.3 1
914 83 83 ASP H H 8.852 0.02 1
915 83 83 ASP HA H 4.142 0.02 1
916 83 83 ASP HB2 H 3.026 0.02 2
917 83 83 ASP HB3 H 2.883 0.02 2
918 83 83 ASP C C 175.191 0.3 1
919 83 83 ASP CA C 56.954 0.3 1
920 83 83 ASP CB C 39.327 0.3 1
921 83 83 ASP N N 115.912 0.3 1
922 84 84 THR H H 7.628 0.02 1
923 84 84 THR HA H 4.161 0.02 1
924 84 84 THR HB H 3.983 0.02 1
925 84 84 THR HG2 H 1.401 0.02 1
926 84 84 THR C C 173.515 0.3 1
927 84 84 THR CA C 63.723 0.3 1
928 84 84 THR CB C 69.383 0.3 1
929 84 84 THR CG2 C 22.138 0.3 1
930 84 84 THR N N 116.125 0.3 1
931 85 85 ALA H H 8.83 0.02 1
932 85 85 ALA HA H 4.583 0.02 1
933 85 85 ALA HB H 1.332 0.02 1
934 85 85 ALA C C 177.375 0.3 1
935 85 85 ALA CA C 53.203 0.3 1
936 85 85 ALA CB C 18.857 0.3 1
937 85 85 ALA N N 128.203 0.3 1
938 86 86 ARG H H 8.076 0.02 1
939 86 86 ARG HA H 4.621 0.02 1
940 86 86 ARG HB2 H 1.11 0.02 1
941 86 86 ARG HB3 H 1.11 0.02 1
942 86 86 ARG HG2 H 1.247 0.02 1
943 86 86 ARG HG3 H 1.247 0.02 1
944 86 86 ARG HD2 H 2.989 0.02 1
945 86 86 ARG HD3 H 2.989 0.02 1
946 86 86 ARG C C 176.958 0.3 1
947 86 86 ARG CA C 53.937 0.3 1
948 86 86 ARG CB C 32.252 0.3 1
949 86 86 ARG CG C 28.805 0.3 1
950 86 86 ARG CD C 43.383 0.3 1
951 86 86 ARG N N 117.341 0.3 1
952 87 87 VAL H H 8.514 0.02 1
953 87 87 VAL HA H 5.699 0.02 1
954 87 87 VAL HB H 1.979 0.02 1
955 87 87 VAL HG1 H 0.801 0.02 2
956 87 87 VAL HG2 H 1.042 0.02 2
957 87 87 VAL C C 175.948 0.3 1
958 87 87 VAL CA C 58.2 0.3 1
959 87 87 VAL CB C 35.272 0.3 1
960 87 87 VAL CG1 C 22.118 0.3 1
961 87 87 VAL CG2 C 17.677 0.3 1
962 87 87 VAL N N 112.872 0.3 1
963 88 88 ASP H H 8.295 0.02 1
964 88 88 ASP HA H 4.403 0.02 1
965 88 88 ASP HB2 H 2.54 0.02 1
966 88 88 ASP HB3 H 2.54 0.02 1
967 88 88 ASP C C 177.28 0.3 1
968 88 88 ASP CA C 51.682 0.3 1
969 88 88 ASP CB C 41.148 0.3 1
970 88 88 ASP N N 120.931 0.3 1
971 89 89 ILE H H 7.787 0.02 1
972 89 89 ILE HA H 3.411 0.02 1
973 89 89 ILE HB H 1.076 0.02 1
974 89 89 ILE HG12 H 0.59 0.02 2
975 89 89 ILE HG13 H -0.287 0.02 2
976 89 89 ILE HG2 H 0.454 0.02 1
977 89 89 ILE HD1 H 0.103 0.02 1
978 89 89 ILE C C 174.545 0.3 1
979 89 89 ILE CA C 65.292 0.3 1
980 89 89 ILE CB C 35.758 0.3 1
981 89 89 ILE CG1 C 22.898 0.3 1
982 89 89 ILE CG2 C 17.941 0.3 1
983 89 89 ILE CD1 C 12.669 0.3 1
984 89 89 ILE N N 107.979 0.3 1
985 90 90 TYR H H 7.427 0.02 1
986 90 90 TYR HA H 4.69 0.02 1
987 90 90 TYR HB2 H 3.449 0.02 2
988 90 90 TYR HB3 H 2.747 0.02 2
989 90 90 TYR HD1 H 7.198 0.02 1
990 90 90 TYR HD2 H 7.198 0.02 1
991 90 90 TYR HE1 H 6.939 0.02 1
992 90 90 TYR HE2 H 6.939 0.02 1
993 90 90 TYR C C 176.866 0.3 1
994 90 90 TYR CA C 57.618 0.3 1
995 90 90 TYR CB C 38.468 0.3 1
996 90 90 TYR CD1 C 129.237 0.3 1
997 90 90 TYR CD2 C 129.237 0.3 1
998 90 90 TYR CE1 C 114.521 0.3 1
999 90 90 TYR CE2 C 114.521 0.3 1
1000 90 90 TYR N N 115.865 0.3 1
1001 91 91 GLY H H 8.383 0.02 1
1002 91 91 GLY HA2 H 4.218 0.02 2
1003 91 91 GLY HA3 H 3.355 0.02 2
1004 91 91 GLY C C 174.185 0.3 1
1005 91 91 GLY CA C 45.442 0.3 1
1006 91 91 GLY N N 108.403 0.3 1
1007 92 92 ASN H H 8.81 0.02 1
1008 92 92 ASN HA H 4.569 0.02 1
1009 92 92 ASN HB2 H 2.848 0.02 2
1010 92 92 ASN HB3 H 2.51 0.02 2
1011 92 92 ASN HD21 H 8.977 0.02 2
1012 92 92 ASN HD22 H 7.352 0.02 2
1013 92 92 ASN C C 175.414 0.3 1
1014 92 92 ASN CA C 53.346 0.3 1
1015 92 92 ASN CB C 38.262 0.3 1
1016 92 92 ASN N N 120.395 0.3 1
1017 92 92 ASN ND2 N 120.108 0.3 1
1018 93 93 GLU H H 8.975 0.02 1
1019 93 93 GLU HA H 4.409 0.02 1
1020 93 93 GLU HB2 H 2.112 0.02 2
1021 93 93 GLU HB3 H 1.918 0.02 2
1022 93 93 GLU HG2 H 2.51 0.02 1
1023 93 93 GLU HG3 H 2.51 0.02 1
1024 93 93 GLU C C 177.454 0.3 1
1025 93 93 GLU CA C 56.85 0.3 1
1026 93 93 GLU CB C 28.353 0.3 1
1027 93 93 GLU CG C 36.373 0.3 1
1028 93 93 GLU N N 122.418 0.3 1
1029 94 94 VAL H H 8.423 0.02 1
1030 94 94 VAL HA H 4.647 0.02 1
1031 94 94 VAL HB H 2.43 0.02 1
1032 94 94 VAL HG1 H 0.906 0.02 2
1033 94 94 VAL HG2 H 0.718 0.02 2
1034 94 94 VAL C C 174.393 0.3 1
1035 94 94 VAL CA C 60.892 0.3 1
1036 94 94 VAL CB C 33.942 0.3 1
1037 94 94 VAL CG1 C 21.712 0.3 1
1038 94 94 VAL CG2 C 17.822 0.3 1
1039 94 94 VAL N N 116.337 0.3 1
1040 95 95 ASP H H 7.98 0.02 1
1041 95 95 ASP HA H 4.929 0.02 1
1042 95 95 ASP HB2 H 3.108 0.02 2
1043 95 95 ASP HB3 H 2.432 0.02 2
1044 95 95 ASP C C 175.414 0.3 1
1045 95 95 ASP CA C 52.652 0.3 1
1046 95 95 ASP CB C 43.372 0.3 1
1047 95 95 ASP N N 119.23 0.3 1
1048 96 96 VAL H H 9.365 0.02 1
1049 96 96 VAL HA H 5.144 0.02 1
1050 96 96 VAL HB H 1.85 0.02 1
1051 96 96 VAL HG1 H 0.831 0.02 2
1052 96 96 VAL HG2 H 0.798 0.02 2
1053 96 96 VAL C C 174.918 0.3 1
1054 96 96 VAL CA C 60.074 0.3 1
1055 96 96 VAL CB C 36.813 0.3 1
1056 96 96 VAL CG1 C 21.05 0.3 1
1057 96 96 VAL CG2 C 18.888 0.3 1
1058 96 96 VAL N N 117.545 0.3 1
1059 97 97 VAL H H 8.732 0.02 1
1060 97 97 VAL HA H 4.339 0.02 1
1061 97 97 VAL HB H 2.315 0.02 1
1062 97 97 VAL HG1 H 0.81 0.02 2
1063 97 97 VAL HG2 H 0.75 0.02 2
1064 97 97 VAL C C 176.868 0.3 1
1065 97 97 VAL CA C 61.97 0.3 1
1066 97 97 VAL CB C 31.277 0.3 1
1067 97 97 VAL CG1 C 22.678 0.3 1
1068 97 97 VAL CG2 C 21.962 0.3 1
1069 97 97 VAL N N 122.832 0.3 1
1070 98 98 THR H H 8.28 0.02 1
1071 98 98 THR C C 178.887 0.3 1
1072 98 98 THR CA C 60.782 0.3 1
1073 98 98 THR CB C 68.029 0.3 1
1074 98 98 THR N N 122.121 0.3 1
1075 99 99 PRO HA H 4.116 0.02 1
1076 99 99 PRO HB2 H 2.44 0.02 1
1077 99 99 PRO HB3 H 2.44 0.02 1
1078 99 99 PRO HG2 H 2.309 0.02 2
1079 99 99 PRO HG3 H 2.011 0.02 2
1080 99 99 PRO HD2 H 3.976 0.02 1
1081 99 99 PRO HD3 H 3.976 0.02 1
1082 99 99 PRO C C 179.383 0.3 1
1083 99 99 PRO CA C 66.292 0.3 1
1084 99 99 PRO CB C 31.69 0.3 1
1085 99 99 PRO CG C 28.524 0.3 1
1086 99 99 PRO CD C 50.276 0.3 1
1087 100 100 GLU H H 8.76 0.02 1
1088 100 100 GLU HA H 4.013 0.02 1
1089 100 100 GLU HB2 H 2.107 0.02 2
1090 100 100 GLU HB3 H 1.973 0.02 2
1091 100 100 GLU HG2 H 2.399 0.02 2
1092 100 100 GLU HG3 H 2.298 0.02 2
1093 100 100 GLU C C 179.353 0.3 1
1094 100 100 GLU CA C 60.248 0.3 1
1095 100 100 GLU CB C 29.305 0.3 1
1096 100 100 GLU CG C 36.663 0.3 1
1097 100 100 GLU N N 117.552 0.3 1
1098 101 101 GLN H H 7.718 0.02 1
1099 101 101 GLN HA H 4.141 0.02 1
1100 101 101 GLN HB2 H 2.549 0.02 2
1101 101 101 GLN HB3 H 1.753 0.02 2
1102 101 101 GLN HG2 H 1.721 0.02 2
1103 101 101 GLN HG3 H 1.822 0.02 2
1104 101 101 GLN HE21 H 8.017 0.02 2
1105 101 101 GLN HE22 H 7.793 0.02 2
1106 101 101 GLN C C 180.234 0.3 1
1107 101 101 GLN CA C 57.568 0.3 1
1108 101 101 GLN CB C 28.08 0.3 1
1109 101 101 GLN CG C 33.685 0.3 1
1110 101 101 GLN N N 119.587 0.3 1
1111 101 101 GLN NE2 N 114.03 0.3 1
1112 102 102 ALA H H 8.601 0.02 1
1113 102 102 ALA HA H 4.193 0.02 1
1114 102 102 ALA HB H 1.417 0.02 1
1115 102 102 ALA C C 180.06 0.3 1
1116 102 102 ALA CA C 54.852 0.3 1
1117 102 102 ALA CB C 18.609 0.3 1
1118 102 102 ALA N N 123.177 0.3 1
1119 103 103 LYS H H 8.134 0.02 1
1120 103 103 LYS HA H 4.143 0.02 1
1121 103 103 LYS HB2 H 1.948 0.02 1
1122 103 103 LYS HB3 H 1.948 0.02 1
1123 103 103 LYS HG2 H 1.379 0.02 1
1124 103 103 LYS HG3 H 1.379 0.02 1
1125 103 103 LYS HD2 H 1.67 0.02 1
1126 103 103 LYS HD3 H 1.67 0.02 1
1127 103 103 LYS HE2 H 2.935 0.02 1
1128 103 103 LYS HE3 H 2.935 0.02 1
1129 103 103 LYS C C 178.923 0.3 1
1130 103 103 LYS CA C 59.569 0.3 1
1131 103 103 LYS CB C 32.082 0.3 1
1132 103 103 LYS CG C 24.949 0.3 1
1133 103 103 LYS CD C 29.203 0.3 1
1134 103 103 LYS CE C 42.03 0.3 1
1135 103 103 LYS N N 120.614 0.3 1
1136 104 104 TYR H H 7.863 0.02 1
1137 104 104 TYR HA H 4.425 0.02 1
1138 104 104 TYR HB2 H 3.189 0.02 1
1139 104 104 TYR HB3 H 3.189 0.02 1
1140 104 104 TYR HD1 H 6.839 0.02 1
1141 104 104 TYR HD2 H 6.839 0.02 1
1142 104 104 TYR C C 177.93 0.3 1
1143 104 104 TYR CA C 60.774 0.3 1
1144 104 104 TYR CB C 38.037 0.3 1
1145 104 104 TYR CD1 C 128.49 0.3 1
1146 104 104 TYR CD2 C 128.49 0.3 1
1147 104 104 TYR N N 119.84 0.3 1
1148 105 105 ALA H H 8.283 0.02 1
1149 105 105 ALA HA H 4.086 0.02 1
1150 105 105 ALA HB H 1.71 0.02 1
1151 105 105 ALA C C 178.969 0.3 1
1152 105 105 ALA CA C 55.59 0.3 1
1153 105 105 ALA CB C 18.19 0.3 1
1154 105 105 ALA N N 122.191 0.3 1
1155 106 106 TYR H H 8.24 0.02 1
1156 106 106 TYR HA H 4.311 0.02 1
1157 106 106 TYR HB2 H 3.175 0.02 1
1158 106 106 TYR HB3 H 3.175 0.02 1
1159 106 106 TYR HD1 H 7.246 0.02 1
1160 106 106 TYR HD2 H 7.246 0.02 1
1161 106 106 TYR HE1 H 6.767 0.02 1
1162 106 106 TYR HE2 H 6.767 0.02 1
1163 106 106 TYR C C 178.129 0.3 1
1164 106 106 TYR CA C 61.159 0.3 1
1165 106 106 TYR CB C 38.022 0.3 1
1166 106 106 TYR CD1 C 129.407 0.3 1
1167 106 106 TYR CD2 C 129.407 0.3 1
1168 106 106 TYR CE1 C 114.396 0.3 1
1169 106 106 TYR CE2 C 114.396 0.3 1
1170 106 106 TYR N N 118.454 0.3 1
1171 107 107 GLN H H 8.278 0.02 1
1172 107 107 GLN HA H 3.962 0.02 1
1173 107 107 GLN HB2 H 2.308 0.02 2
1174 107 107 GLN HB3 H 2.144 0.02 2
1175 107 107 GLN HG2 H 2.613 0.02 2
1176 107 107 GLN HG3 H 2.408 0.02 2
1177 107 107 GLN HE21 H 7.648 0.02 1
1178 107 107 GLN HE22 H 6.875 0.02 1
1179 107 107 GLN C C 179.155 0.3 1
1180 107 107 GLN CA C 59.175 0.3 1
1181 107 107 GLN CB C 28.052 0.3 1
1182 107 107 GLN CG C 33.934 0.3 1
1183 107 107 GLN N N 119.772 0.3 1
1184 107 107 GLN NE2 N 111.467 0.3 1
1185 108 108 ARG H H 8.191 0.02 1
1186 108 108 ARG HA H 4.014 0.02 1
1187 108 108 ARG HB2 H 1.949 0.02 2
1188 108 108 ARG HB3 H 1.825 0.02 2
1189 108 108 ARG HG2 H 1.559 0.02 1
1190 108 108 ARG HG3 H 1.559 0.02 1
1191 108 108 ARG HD2 H 3.098 0.02 2
1192 108 108 ARG HD3 H 3.06 0.02 2
1193 108 108 ARG C C 178.591 0.3 1
1194 108 108 ARG CA C 58.582 0.3 1
1195 108 108 ARG CB C 30.161 0.3 1
1196 108 108 ARG CG C 26.593 0.3 1
1197 108 108 ARG CD C 43.109 0.3 1
1198 108 108 ARG N N 119.251 0.3 1
1199 109 109 TYR H H 8.761 0.02 1
1200 109 109 TYR HA H 3.863 0.02 1
1201 109 109 TYR HB2 H 3.311 0.02 2
1202 109 109 TYR HB3 H 2.974 0.02 2
1203 109 109 TYR HD1 H 6.93 0.02 1
1204 109 109 TYR HD2 H 6.93 0.02 1
1205 109 109 TYR HE1 H 6.661 0.02 1
1206 109 109 TYR HE2 H 6.661 0.02 1
1207 109 109 TYR C C 177.799 0.3 1
1208 109 109 TYR CA C 62.236 0.3 1
1209 109 109 TYR CB C 37.779 0.3 1
1210 109 109 TYR CD1 C 129.313 0.3 1
1211 109 109 TYR CD2 C 129.313 0.3 1
1212 109 109 TYR CE1 C 114.439 0.3 1
1213 109 109 TYR CE2 C 114.439 0.3 1
1214 109 109 TYR N N 121.013 0.3 1
1215 110 110 GLN H H 8.543 0.02 1
1216 110 110 GLN HA H 3.741 0.02 1
1217 110 110 GLN HB2 H 2.016 0.02 1
1218 110 110 GLN HB3 H 2.016 0.02 1
1219 110 110 GLN HG2 H 2.186 0.02 2
1220 110 110 GLN HG3 H 2.067 0.02 2
1221 110 110 GLN HE21 H 6.92 0.02 2
1222 110 110 GLN HE22 H 6.757 0.02 2
1223 110 110 GLN C C 178.591 0.3 1
1224 110 110 GLN CA C 58.586 0.3 1
1225 110 110 GLN CB C 28.405 0.3 1
1226 110 110 GLN CG C 33.666 0.3 1
1227 110 110 GLN N N 118.56 0.3 1
1228 110 110 GLN NE2 N 112.02 0.3 1
1229 111 111 GLU H H 7.865 0.02 1
1230 111 111 GLU HA H 3.896 0.02 1
1231 111 111 GLU HB2 H 2.095 0.02 2
1232 111 111 GLU HB3 H 1.959 0.02 2
1233 111 111 GLU HG2 H 2.384 0.02 1
1234 111 111 GLU HG3 H 2.384 0.02 1
1235 111 111 GLU C C 177.759 0.3 1
1236 111 111 GLU CA C 58.72 0.3 1
1237 111 111 GLU CB C 29.933 0.3 1
1238 111 111 GLU CG C 36.113 0.3 1
1239 111 111 GLU N N 117.668 0.3 1
1240 112 112 ARG H H 7.57 0.02 1
1241 112 112 ARG HA H 3.955 0.02 1
1242 112 112 ARG HB2 H 1.057 0.02 2
1243 112 112 ARG HB3 H 0.713 0.02 2
1244 112 112 ARG HG2 H 1.085 0.02 1
1245 112 112 ARG HG3 H 1.085 0.02 1
1246 112 112 ARG HD2 H 2.883 0.02 1
1247 112 112 ARG HD3 H 2.883 0.02 1
1248 112 112 ARG C C 177.263 0.3 1
1249 112 112 ARG CA C 57.378 0.3 1
1250 112 112 ARG CB C 30.993 0.3 1
1251 112 112 ARG CG C 27.027 0.3 1
1252 112 112 ARG CD C 42.901 0.3 1
1253 112 112 ARG N N 115.739 0.3 1
1254 113 113 TYR H H 8.306 0.02 1
1255 113 113 TYR HA H 4.709 0.02 1
1256 113 113 TYR HB2 H 2.934 0.02 2
1257 113 113 TYR HB3 H 1.607 0.02 2
1258 113 113 TYR HD1 H 6.808 0.02 1
1259 113 113 TYR HD2 H 6.808 0.02 1
1260 113 113 TYR HE1 H 6.689 0.02 1
1261 113 113 TYR C C 176.494 0.3 1
1262 113 113 TYR CA C 56.977 0.3 1
1263 113 113 TYR CB C 38.782 0.3 1
1264 113 113 TYR CD1 C 129.684 0.3 1
1265 113 113 TYR CD2 C 129.684 0.3 1
1266 113 113 TYR CE1 C 113.793 0.3 1
1267 113 113 TYR N N 115.441 0.3 1
1268 114 114 GLY H H 7.6 0.02 1
1269 114 114 GLY HA2 H 4.067 0.02 2
1270 114 114 GLY HA3 H 3.898 0.02 2
1271 114 114 GLY C C 173.801 0.3 1
1272 114 114 GLY CA C 45.796 0.3 1
1273 114 114 GLY N N 108.65 0.3 1
1274 115 115 ASN H H 8.418 0.02 1
1275 115 115 ASN HA H 4.708 0.02 1
1276 115 115 ASN HB2 H 2.856 0.02 2
1277 115 115 ASN HB3 H 2.806 0.02 2
1278 115 115 ASN C C 175.515 0.3 1
1279 115 115 ASN CA C 53.161 0.3 1
1280 115 115 ASN CB C 38.61 0.3 1
1281 115 115 ASN N N 118.252 0.3 1
1282 116 116 LYS H H 8.172 0.02 1
1283 116 116 LYS HA H 4.327 0.02 1
1284 116 116 LYS HB2 H 1.859 0.02 2
1285 116 116 LYS HB3 H 1.763 0.02 2
1286 116 116 LYS HG2 H 1.445 0.02 1
1287 116 116 LYS HG3 H 1.445 0.02 1
1288 116 116 LYS HD2 H 1.674 0.02 1
1289 116 116 LYS HD3 H 1.674 0.02 1
1290 116 116 LYS HE2 H 2.992 0.02 1
1291 116 116 LYS HE3 H 2.992 0.02 1
1292 116 116 LYS C C 176.667 0.3 1
1293 116 116 LYS CA C 56.332 0.3 1
1294 116 116 LYS CB C 32.62 0.3 1
1295 116 116 LYS CG C 24.75 0.3 1
1296 116 116 LYS CD C 29.123 0.3 1
1297 116 116 LYS CE C 42.104 0.3 1
1298 116 116 LYS N N 121.014 0.3 1
1299 117 117 LYS H H 8.338 0.02 1
1300 117 117 LYS HA H 4.33 0.02 1
1301 117 117 LYS HB2 H 1.859 0.02 2
1302 117 117 LYS HB3 H 1.762 0.02 2
1303 117 117 LYS HG2 H 1.446 0.02 1
1304 117 117 LYS HG3 H 1.446 0.02 1
1305 117 117 LYS HD2 H 1.666 0.02 1
1306 117 117 LYS HD3 H 1.666 0.02 1
1307 117 117 LYS HE2 H 2.994 0.02 1
1308 117 117 LYS HE3 H 2.994 0.02 1
1309 117 117 LYS C C 176.947 0.3 1
1310 117 117 LYS CA C 56.337 0.3 1
1311 117 117 LYS CB C 32.902 0.3 1
1312 117 117 LYS CG C 24.808 0.3 1
1313 117 117 LYS CD C 29.083 0.3 1
1314 117 117 LYS CE C 42.024 0.3 1
1315 117 117 LYS N N 122.345 0.3 1
1316 118 118 SER H H 8.339 0.02 1
1317 118 118 SER HA H 4.385 0.02 1
1318 118 118 SER HB2 H 3.905 0.02 2
1319 118 118 SER HB3 H 3.861 0.02 2
1320 118 118 SER C C 176.915 0.3 1
1321 118 118 SER CA C 58.699 0.3 1
1322 118 118 SER CB C 63.816 0.3 1
1323 118 118 SER N N 117.024 0.3 1
1324 119 119 GLN H H 8.465 0.02 1
1325 119 119 GLN HA H 4.306 0.02 1
1326 119 119 GLN HB2 H 2.113 0.02 2
1327 119 119 GLN HB3 H 1.979 0.02 2
1328 119 119 GLN HG2 H 2.362 0.02 1
1329 119 119 GLN HG3 H 2.362 0.02 1
1330 119 119 GLN C C 175.562 0.3 1
1331 119 119 GLN CA C 56.037 0.3 1
1332 119 119 GLN CB C 29.254 0.3 1
1333 119 119 GLN CG C 33.797 0.3 1
1334 119 119 GLN N N 121.818 0.3 1
1335 120 120 ASP H H 8.294 0.02 1
1336 120 120 ASP HA H 4.598 0.02 1
1337 120 120 ASP HB2 H 2.73 0.02 2
1338 120 120 ASP HB3 H 2.576 0.02 2
1339 120 120 ASP C C 175.843 0.3 1
1340 120 120 ASP CA C 54.413 0.3 1
1341 120 120 ASP CB C 41.124 0.3 1
1342 120 120 ASP N N 120.902 0.3 1
1343 121 121 LEU H H 8.059 0.02 1
1344 121 121 LEU HA H 4.351 0.02 1
1345 121 121 LEU HB2 H 1.647 0.02 2
1346 121 121 LEU HB3 H 1.587 0.02 2
1347 121 121 LEU HG H 1.612 0.02 1
1348 121 121 LEU HD1 H 0.917 0.02 2
1349 121 121 LEU HD2 H 0.859 0.02 2
1350 121 121 LEU C C 176.253 0.3 1
1351 121 121 LEU CA C 55.181 0.3 1
1352 121 121 LEU CB C 42.217 0.3 1
1353 121 121 LEU CG C 26.743 0.3 1
1354 121 121 LEU CD1 C 25.011 0.3 1
1355 121 121 LEU CD2 C 23.27 0.3 1
1356 121 121 LEU N N 122.429 0.3 1
1357 122 122 LYS H H 7.844 0.02 1
1358 122 122 LYS C C 181.275 0.3 1
1359 122 122 LYS CA C 57.469 0.3 1
1360 122 122 LYS CB C 33.668 0.3 1
1361 122 122 LYS N N 127.092 0.3 1
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