data_18523
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR structure of Hsp12, a protein induced by and required for dietary restriction-induced lifespan extension in yeast.
;
_BMRB_accession_number 18523
_BMRB_flat_file_name bmr18523.str
_Entry_type original
_Submission_date 2012-06-14
_Accession_date 2012-06-14
_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 Herbert Andrew P. .
2 Lian Lu-Yun . .
3 Morgan Alan . .
4 Riesen Michele . .
5 Bloxam Leanne . .
6 Kosmidou Effie . .
7 Wareing Brian M. .
8 Phelan J. . .
9 Pennington Stephen R. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 609
"13C chemical shifts" 425
"15N chemical shifts" 111
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2012-08-06 original BMRB .
stop_
_Original_release_date 2012-06-14
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
NMR structure of hsp12, a protein induced by and required for dietary restriction-induced lifespan extension in yeast
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 22848679
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Herbert Andrew P. .
2 Riesen Michele . .
3 Bloxam Leanne . .
4 Kosmidou Effie . .
5 Wareing Brian M. .
6 Johnson James R. .
7 Phelan Marie M. .
8 Pennington Stephen R. .
9 Lian Lu-Yun . .
10 Morgan Alan . .
stop_
_Journal_abbreviation 'PLOS One'
_Journal_volume 7
_Journal_issue 7
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first e41975
_Page_last e41975
_Year 2012
_Details .
loop_
_Keyword
Aging
NMR
longevity
proteomics
yeast
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'HSP12 SDS'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'HSP12 SDS' $HSP12_SDS
stop_
_System_molecular_weight 11690.6574
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state 'not present'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_HSP12_SDS
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common HSP12_SDS
_Molecular_mass 11690.6574
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 109
_Mol_residue_sequence
;
MSDAGRKGFGEKASEALKPD
SQKSYAEQGKEYITDKADKV
AGKVQPEDNKGVFQGVHDSA
EKGKDNAEGQGESLADQARD
YMGAAKSKLNDAVEYVSGRV
HGEEDPTKK
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 SER 3 ASP 4 ALA 5 GLY
6 ARG 7 LYS 8 GLY 9 PHE 10 GLY
11 GLU 12 LYS 13 ALA 14 SER 15 GLU
16 ALA 17 LEU 18 LYS 19 PRO 20 ASP
21 SER 22 GLN 23 LYS 24 SER 25 TYR
26 ALA 27 GLU 28 GLN 29 GLY 30 LYS
31 GLU 32 TYR 33 ILE 34 THR 35 ASP
36 LYS 37 ALA 38 ASP 39 LYS 40 VAL
41 ALA 42 GLY 43 LYS 44 VAL 45 GLN
46 PRO 47 GLU 48 ASP 49 ASN 50 LYS
51 GLY 52 VAL 53 PHE 54 GLN 55 GLY
56 VAL 57 HIS 58 ASP 59 SER 60 ALA
61 GLU 62 LYS 63 GLY 64 LYS 65 ASP
66 ASN 67 ALA 68 GLU 69 GLY 70 GLN
71 GLY 72 GLU 73 SER 74 LEU 75 ALA
76 ASP 77 GLN 78 ALA 79 ARG 80 ASP
81 TYR 82 MET 83 GLY 84 ALA 85 ALA
86 LYS 87 SER 88 LYS 89 LEU 90 ASN
91 ASP 92 ALA 93 VAL 94 GLU 95 TYR
96 VAL 97 SER 98 GLY 99 ARG 100 VAL
101 HIS 102 GLY 103 GLU 104 GLU 105 ASP
106 PRO 107 THR 108 LYS 109 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
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
UNP HSP12_YEAST P22943 . . . . .
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$HSP12_SDS "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
$HSP12_SDS 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) pE-SUMO-Pro-Kan
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_13C_15NH_SP12
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$HSP12_SDS 0.45 mM '[U-13C; U-15N]'
SDS 100.00 mM 'natural abundance'
NaCl 40.00 mM 'natural abundance'
'Potassium Phosphate' 20.00 mM 'natural abundance'
stop_
save_
save_15N_HSP12
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
SDS 100.00 mM 'natural abundance'
NaCl 40.00 mM 'natural abundance'
'Potassium Phosphate' 20.00 mM 'natural abundance'
$HSP12_SDS 0.45 mM [U-15N]
stop_
save_
############################
# Computer software used #
############################
save_AutoDep
_Saveframe_category software
_Name AutoDep
_Version 4.3
loop_
_Vendor
_Address
_Electronic_address
PDBe . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
GUENTERT
;
L.A.Systems, Inc
Tokei-Kaikan BLD.1F 1-11-5 Ueno
Taito Tokyo, 110-0005 JAPAN
;
http://www.las.jp/english/company/contact.html
stop_
loop_
_Task
'Structure Calculation/refinement'
stop_
_Details .
save_
save_CcpNmr_Analysis
_Saveframe_category software
_Name ANALYSIS
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk
stop_
loop_
_Task
'NMR Resonance Assignment'
stop_
_Details 'The CCPN NMR assignment and data analysis application'
save_
save_DANGLE
_Saveframe_category software
_Name DANGLE
_Version 1.1
loop_
_Vendor
_Address
_Electronic_address
'Ming-Sin Cheung et al.' . .
stop_
loop_
_Task
'Dihedral restraint calculation'
stop_
_Details .
save_
save_Topspin
_Saveframe_category software
_Name TOPSPIN
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
Bruker
;
Bruker UK Limited
Banner Lane
Coventry CV4 9GH
;
.
stop_
loop_
_Task
'Data Acquisition'
'Spectrum Processing'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_600
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_800
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC/HMQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC/HMQC'
_Sample_label $13C_15NH_SP12
save_
save_3D_HNCO_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $13C_15NH_SP12
save_
save_hncaco_(H[N[ca[CO]]])_3
_Saveframe_category NMR_applied_experiment
_Experiment_name 'hncaco (H[N[ca[CO]]])'
_Sample_label $13C_15NH_SP12
save_
save_3D_CBCA(CO)NH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $13C_15NH_SP12
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $13C_15NH_SP12
save_
save_2D_1H-13C_HSQC/HMQC_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC/HMQC'
_Sample_label $13C_15NH_SP12
save_
save_3D_HNCA_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $13C_15NH_SP12
save_
save_3D_HBHA(CO)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $13C_15NH_SP12
save_
save_3D_1H-15N_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $15N_HSP12
save_
save_hbhanh_(H{ca|cca}NH)_10
_Saveframe_category NMR_applied_experiment
_Experiment_name 'hbhanh (H{ca|cca}NH)'
_Sample_label $13C_15NH_SP12
save_
save_3D_HCCH-TOCSY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $13C_15NH_SP12
save_
save_3D_1H-13C_NOESY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $13C_15NH_SP12
save_
save_c-trosy-arom_(H[C[caro]])_13
_Saveframe_category NMR_applied_experiment
_Experiment_name 'c-trosy-arom (H[C[caro]])'
_Sample_label $13C_15NH_SP12
save_
save_hncbcgcdhd_(hbCBcgcdHD)_14
_Saveframe_category NMR_applied_experiment
_Experiment_name 'hncbcgcdhd (hbCBcgcdHD)'
_Sample_label $13C_15NH_SP12
save_
save_CBCACONH_15
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACONH
_Sample_label $15N_HSP12
save_
save_HBHACONH_16
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHACONH
_Sample_label $15N_HSP12
save_
#######################
# Sample conditions #
#######################
save_SDS
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.500 . pH
pressure 1.000 . atm
temperature 318.000 . K
stop_
save_
save_CondSet1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
temperature 298.000 0.0 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
HDO H 1 H ppm 0.0 internal indirect . . . 1
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
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC/HMQC'
'3D HNCO'
'hncaco (H[N[ca[CO]]])'
'3D CBCA(CO)NH'
'3D HNCACB'
'2D 1H-13C HSQC/HMQC'
'3D HNCA'
'3D HBHA(CO)NH'
'3D 1H-15N NOESY'
'hbhanh (H{ca|cca}NH)'
'3D HCCH-TOCSY'
'3D 1H-13C NOESY'
'c-trosy-arom (H[C[caro]])'
'hncbcgcdhd (hbCBcgcdHD)'
stop_
loop_
_Sample_label
$13C_15NH_SP12
$15N_HSP12
stop_
_Sample_conditions_label $SDS
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'HSP12 SDS'
_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 2 SER HA H 4.522 0.001 1
2 2 2 SER HB2 H 3.954 0.016 1
3 2 2 SER HB3 H 3.922 0.031 1
4 2 2 SER C C 174.175 0.001 1
5 2 2 SER CA C 58.499 0.018 1
6 2 2 SER CB C 64.397 0.02 1
7 3 3 ASP H H 8.410 0.004 1
8 3 3 ASP HA H 4.538 0.008 1
9 3 3 ASP HB2 H 2.684 0.003 1
10 3 3 ASP HB3 H 2.684 0.003 1
11 3 3 ASP C C 176.286 0.007 1
12 3 3 ASP CA C 55.185 0.02 1
13 3 3 ASP CB C 41.032 0.016 1
14 3 3 ASP N N 122.091 0.029 1
15 4 4 ALA H H 8.071 0.003 1
16 4 4 ALA HA H 4.277 0.009 1
17 4 4 ALA HB H 1.383 0.024 1
18 4 4 ALA C C 178.312 0.021 1
19 4 4 ALA CA C 53.247 0.036 1
20 4 4 ALA CB C 19.416 0.025 1
21 4 4 ALA N N 122.703 0.027 1
22 5 5 GLY H H 8.093 0.006 1
23 5 5 GLY HA2 H 3.909 0.026 1
24 5 5 GLY HA3 H 3.960 0.013 1
25 5 5 GLY C C 174.305 0.025 1
26 5 5 GLY CA C 45.777 0.055 1
27 5 5 GLY N N 107.315 0.118 1
28 6 6 ARG H H 7.966 0.008 1
29 6 6 ARG HA H 4.307 0.014 1
30 6 6 ARG HB2 H 1.801 0.008 1
31 6 6 ARG HB3 H 1.911 0.007 1
32 6 6 ARG HG2 H 1.646 0.007 1
33 6 6 ARG HG3 H 1.646 0.007 1
34 6 6 ARG HD2 H 3.178 0.006 1
35 6 6 ARG HD3 H 3.178 0.006 1
36 6 6 ARG HE H 7.135 0.005 1
37 6 6 ARG C C 176.780 0.023 1
38 6 6 ARG CA C 56.985 0.042 1
39 6 6 ARG CB C 30.829 0.047 1
40 6 6 ARG CG C 27.583 0.077 1
41 6 6 ARG CD C 43.699 0.023 1
42 6 6 ARG CZ C 159.655 . 1
43 6 6 ARG N N 119.893 0.027 1
44 6 6 ARG NE N 84.364 0.004 1
45 7 7 LYS H H 8.081 0.006 1
46 7 7 LYS HA H 4.244 0.019 1
47 7 7 LYS HB2 H 1.762 0.016 1
48 7 7 LYS HB3 H 1.761 0.016 1
49 7 7 LYS HG2 H 1.419 0.008 1
50 7 7 LYS HG3 H 1.427 0.021 1
51 7 7 LYS HD2 H 1.667 0.009 1
52 7 7 LYS HD3 H 1.672 0.022 1
53 7 7 LYS HE2 H 2.988 0.004 1
54 7 7 LYS HE3 H 2.988 0.004 1
55 7 7 LYS C C 177.225 0.039 1
56 7 7 LYS CA C 57.158 0.038 1
57 7 7 LYS CB C 32.911 0.064 1
58 7 7 LYS CG C 24.951 0.001 1
59 7 7 LYS CD C 29.228 0.025 1
60 7 7 LYS CE C 42.516 0.005 1
61 7 7 LYS N N 120.244 0.024 1
62 8 8 GLY H H 8.061 0.006 1
63 8 8 GLY HA2 H 3.928 0.018 1
64 8 8 GLY HA3 H 3.949 0.005 1
65 8 8 GLY C C 174.995 0.012 1
66 8 8 GLY CA C 46.076 0.053 1
67 8 8 GLY N N 107.942 0.071 1
68 9 9 PHE H H 7.999 0.008 1
69 9 9 PHE HA H 4.372 0.004 1
70 9 9 PHE HB2 H 3.103 0.015 1
71 9 9 PHE HB3 H 3.106 0.015 1
72 9 9 PHE HD1 H 7.206 0.003 3
73 9 9 PHE HD2 H 7.206 0.003 3
74 9 9 PHE HE1 H 7.202 . 3
75 9 9 PHE HE2 H 7.202 . 3
76 9 9 PHE HZ H 7.088 . 1
77 9 9 PHE C C 176.940 0.004 1
78 9 9 PHE CA C 60.169 0.056 1
79 9 9 PHE CB C 39.613 0.034 1
80 9 9 PHE CD1 C 132.245 . 3
81 9 9 PHE CD2 C 132.245 . 3
82 9 9 PHE CE1 C 131.508 . 3
83 9 9 PHE CE2 C 131.508 . 3
84 9 9 PHE CZ C 129.592 . 1
85 9 9 PHE N N 120.285 0.04 1
86 10 10 GLY H H 8.375 0.007 1
87 10 10 GLY HA2 H 3.686 0.005 1
88 10 10 GLY HA3 H 3.963 0.005 1
89 10 10 GLY C C 175.457 0.001 1
90 10 10 GLY CA C 47.010 0.012 1
91 10 10 GLY N N 107.724 0.04 1
92 11 11 GLU H H 7.942 0.01 1
93 11 11 GLU HA H 4.075 0.005 1
94 11 11 GLU HB2 H 2.044 0.007 1
95 11 11 GLU HB3 H 2.044 0.007 1
96 11 11 GLU HG2 H 2.255 0.033 1
97 11 11 GLU HG3 H 2.290 0.031 1
98 11 11 GLU C C 178.472 0.027 1
99 11 11 GLU CA C 59.087 0.031 1
100 11 11 GLU CB C 29.756 0.084 1
101 11 11 GLU CG C 36.315 0.043 1
102 11 11 GLU N N 120.950 0.02 1
103 12 12 LYS H H 7.851 0.019 1
104 12 12 LYS HA H 4.112 0.003 1
105 12 12 LYS HB2 H 1.818 0.014 1
106 12 12 LYS HB3 H 1.847 0.012 1
107 12 12 LYS HG2 H 1.446 0.01 1
108 12 12 LYS HG3 H 1.493 0.019 1
109 12 12 LYS HD2 H 1.656 0.02 1
110 12 12 LYS HD3 H 1.656 0.02 1
111 12 12 LYS HE2 H 2.962 0.003 1
112 12 12 LYS HE3 H 2.962 0.003 1
113 12 12 LYS C C 178.544 . 1
114 12 12 LYS CA C 58.591 0.054 1
115 12 12 LYS CB C 32.522 0.052 1
116 12 12 LYS CE C 42.513 0.026 1
117 12 12 LYS N N 118.961 0.028 1
118 13 13 ALA H H 8.159 0.008 1
119 13 13 ALA HA H 3.988 0.004 1
120 13 13 ALA HB H 1.300 0.021 1
121 13 13 ALA C C 178.388 . 1
122 13 13 ALA CA C 54.929 0.05 1
123 13 13 ALA CB C 18.577 0.021 1
124 13 13 ALA N N 121.313 0.029 1
125 14 14 SER H H 7.943 0.002 1
126 14 14 SER HA H 4.085 0.004 1
127 14 14 SER HB2 H 3.941 0.015 1
128 14 14 SER HB3 H 3.965 0.009 1
129 14 14 SER C C 176.173 . 1
130 14 14 SER CA C 61.347 0.018 1
131 14 14 SER CB C 63.414 0.027 1
132 14 14 SER N N 111.092 0.026 1
133 15 15 GLU H H 7.670 0.013 1
134 15 15 GLU HA H 4.136 0.012 1
135 15 15 GLU HB2 H 2.073 0.008 1
136 15 15 GLU HB3 H 2.072 0.008 1
137 15 15 GLU HG2 H 2.297 0.006 1
138 15 15 GLU HG3 H 2.392 0.015 1
139 15 15 GLU C C 177.495 0.003 1
140 15 15 GLU CA C 58.115 0.053 1
141 15 15 GLU CB C 29.902 0.028 1
142 15 15 GLU CG C 36.280 0.053 1
143 15 15 GLU N N 119.703 0.024 1
144 16 16 ALA H H 7.671 0.004 1
145 16 16 ALA HA H 4.242 0.005 1
146 16 16 ALA HB H 1.428 0.016 1
147 16 16 ALA C C 177.913 0.012 1
148 16 16 ALA CA C 53.882 0.022 1
149 16 16 ALA CB C 19.658 0.015 1
150 16 16 ALA N N 120.536 0.036 1
151 17 17 LEU H H 7.570 0.004 1
152 17 17 LEU HA H 4.335 0.005 1
153 17 17 LEU HB2 H 1.593 0.006 1
154 17 17 LEU HB3 H 1.703 0.004 1
155 17 17 LEU HG H 1.710 0.004 1
156 17 17 LEU HD1 H 0.846 0.006 1
157 17 17 LEU HD2 H 0.821 0.021 1
158 17 17 LEU C C 176.217 0.012 1
159 17 17 LEU CA C 55.090 0.024 1
160 17 17 LEU CB C 42.704 0.031 1
161 17 17 LEU CG C 27.351 0.04 1
162 17 17 LEU CD1 C 25.653 0.031 1
163 17 17 LEU CD2 C 23.688 0.037 1
164 17 17 LEU N N 116.276 0.043 1
165 18 18 LYS H H 7.661 0.004 1
166 18 18 LYS HA H 4.537 0.004 1
167 18 18 LYS HB2 H 1.817 0.015 1
168 18 18 LYS HB3 H 1.822 0.016 1
169 18 18 LYS HG2 H 1.439 0.0 1
170 18 18 LYS HG3 H 1.508 0.009 1
171 18 18 LYS HD2 H 1.698 0.002 1
172 18 18 LYS HD3 H 1.698 0.002 1
173 18 18 LYS HE2 H 2.991 . 1
174 18 18 LYS HE3 H 2.991 . 1
175 18 18 LYS C C 174.857 . 1
176 18 18 LYS CA C 54.624 0.047 1
177 18 18 LYS CB C 32.590 0.063 1
178 18 18 LYS CG C 25.326 0.012 1
179 18 18 LYS CD C 29.435 0.027 1
180 18 18 LYS N N 119.921 0.049 1
181 19 19 PRO HA H 4.426 0.006 1
182 19 19 PRO HB2 H 1.961 0.021 1
183 19 19 PRO HB3 H 2.270 0.006 1
184 19 19 PRO HG2 H 1.963 0.024 1
185 19 19 PRO HG3 H 2.012 0.012 1
186 19 19 PRO HD2 H 3.676 0.006 1
187 19 19 PRO HD3 H 3.792 0.004 1
188 19 19 PRO C C 177.022 . 1
189 19 19 PRO CA C 64.066 0.021 1
190 19 19 PRO CB C 32.312 0.059 1
191 19 19 PRO CG C 27.601 0.016 1
192 19 19 PRO CD C 50.870 0.088 1
193 20 20 ASP H H 8.310 0.003 1
194 20 20 ASP HA H 4.562 0.015 1
195 20 20 ASP HB2 H 2.672 0.014 1
196 20 20 ASP HB3 H 2.708 0.013 1
197 20 20 ASP C C 176.682 0.008 1
198 20 20 ASP CA C 54.771 0.115 1
199 20 20 ASP CB C 41.377 0.012 1
200 20 20 ASP N N 118.921 0.048 1
201 21 21 SER H H 7.987 0.003 1
202 21 21 SER HA H 4.351 0.008 1
203 21 21 SER HB2 H 3.879 0.014 1
204 21 21 SER HB3 H 3.932 0.012 1
205 21 21 SER C C 174.892 0.012 1
206 21 21 SER CA C 59.304 0.043 1
207 21 21 SER CB C 64.036 0.029 1
208 21 21 SER N N 115.798 0.038 1
209 22 22 GLN H H 8.377 0.006 1
210 22 22 GLN HA H 4.248 0.017 1
211 22 22 GLN HB2 H 2.007 0.011 1
212 22 22 GLN HB3 H 2.150 0.007 1
213 22 22 GLN HG2 H 2.325 0.019 1
214 22 22 GLN HG3 H 2.354 0.011 1
215 22 22 GLN C C 176.048 0.02 1
216 22 22 GLN CA C 56.973 0.034 1
217 22 22 GLN CB C 29.252 0.051 1
218 22 22 GLN CG C 34.376 0.022 1
219 22 22 GLN N N 120.587 0.027 1
220 23 23 LYS H H 7.871 0.013 1
221 23 23 LYS HA H 4.292 0.007 1
222 23 23 LYS HB2 H 1.615 0.011 1
223 23 23 LYS HB3 H 1.615 0.011 1
224 23 23 LYS HG2 H 1.297 0.025 1
225 23 23 LYS HG3 H 1.307 0.023 1
226 23 23 LYS HD2 H 1.591 0.003 1
227 23 23 LYS HD3 H 1.591 0.003 1
228 23 23 LYS HE2 H 2.926 0.005 1
229 23 23 LYS HE3 H 2.926 0.005 1
230 23 23 LYS C C 176.223 0.007 1
231 23 23 LYS CA C 56.398 0.024 1
232 23 23 LYS CB C 33.714 0.059 1
233 23 23 LYS CG C 25.016 0.026 1
234 23 23 LYS CD C 29.174 0.03 1
235 23 23 LYS CE C 42.448 0.03 1
236 23 23 LYS N N 120.243 0.032 1
237 24 24 SER H H 8.258 0.011 1
238 24 24 SER HA H 4.473 0.014 1
239 24 24 SER HB2 H 3.891 0.006 1
240 24 24 SER HB3 H 4.059 0.005 1
241 24 24 SER C C 175.763 0.015 1
242 24 24 SER CA C 58.374 0.022 1
243 24 24 SER CB C 63.839 0.037 1
244 24 24 SER N N 116.955 0.059 1
245 25 25 TYR H H 8.124 0.008 1
246 25 25 TYR HA H 4.351 0.004 1
247 25 25 TYR HB2 H 2.995 0.009 1
248 25 25 TYR HB3 H 2.996 0.008 1
249 25 25 TYR HD1 H 7.121 0.003 3
250 25 25 TYR HD2 H 7.121 0.003 3
251 25 25 TYR HE1 H 6.828 0.002 3
252 25 25 TYR HE2 H 6.828 0.002 3
253 25 25 TYR C C 177.750 0.008 1
254 25 25 TYR CA C 61.077 0.065 1
255 25 25 TYR CB C 38.014 0.036 1
256 25 25 TYR CD1 C 133.204 0.062 3
257 25 25 TYR CD2 C 133.204 0.062 3
258 25 25 TYR CE1 C 119.035 0.148 3
259 25 25 TYR CE2 C 119.035 0.148 3
260 25 25 TYR N N 121.832 0.03 1
261 26 26 ALA H H 8.175 0.006 1
262 26 26 ALA HA H 4.034 0.007 1
263 26 26 ALA HB H 1.476 0.029 1
264 26 26 ALA C C 178.996 0.019 1
265 26 26 ALA CA C 55.678 0.024 1
266 26 26 ALA CB C 18.553 0.029 1
267 26 26 ALA N N 120.938 0.044 1
268 27 27 GLU H H 7.863 0.011 1
269 27 27 GLU HA H 4.002 0.014 1
270 27 27 GLU HB2 H 2.058 0.008 1
271 27 27 GLU HB3 H 2.119 0.014 1
272 27 27 GLU HG2 H 2.295 0.019 1
273 27 27 GLU HG3 H 2.441 0.032 1
274 27 27 GLU C C 179.099 0.002 1
275 27 27 GLU CA C 59.600 0.048 1
276 27 27 GLU CB C 29.518 0.089 1
277 27 27 GLU CG C 36.261 0.018 1
278 27 27 GLU N N 117.183 0.025 1
279 28 28 GLN H H 8.099 0.009 1
280 28 28 GLN HA H 4.154 0.004 1
281 28 28 GLN HB2 H 2.168 0.006 1
282 28 28 GLN HB3 H 2.168 0.006 1
283 28 28 GLN HG2 H 2.357 0.007 1
284 28 28 GLN HG3 H 2.454 0.006 1
285 28 28 GLN HE21 H 6.648 0.003 1
286 28 28 GLN HE22 H 7.027 0.003 1
287 28 28 GLN C C 179.164 0.006 1
288 28 28 GLN CA C 58.998 0.027 1
289 28 28 GLN CB C 29.329 0.081 1
290 28 28 GLN CG C 34.801 0.026 1
291 28 28 GLN N N 118.430 0.03 1
292 28 28 GLN NE2 N 110.328 0.02 1
293 29 29 GLY H H 8.731 0.006 1
294 29 29 GLY HA2 H 3.661 0.004 1
295 29 29 GLY HA3 H 3.856 0.006 1
296 29 29 GLY C C 174.515 0.006 1
297 29 29 GLY CA C 47.758 0.026 1
298 29 29 GLY N N 107.752 0.039 1
299 30 30 LYS H H 8.351 0.006 1
300 30 30 LYS HA H 3.931 0.007 1
301 30 30 LYS HB2 H 1.931 0.023 1
302 30 30 LYS HB3 H 2.003 0.011 1
303 30 30 LYS HG2 H 1.394 0.005 1
304 30 30 LYS HG3 H 1.549 0.006 1
305 30 30 LYS HD2 H 1.725 0.01 1
306 30 30 LYS HD3 H 1.725 0.01 1
307 30 30 LYS HE2 H 2.933 0.004 1
308 30 30 LYS HE3 H 2.933 0.004 1
309 30 30 LYS C C 178.975 0.001 1
310 30 30 LYS CA C 60.582 0.047 1
311 30 30 LYS CB C 32.522 0.05 1
312 30 30 LYS CG C 25.758 0.061 1
313 30 30 LYS CD C 29.595 0.089 1
314 30 30 LYS CE C 42.391 0.014 1
315 30 30 LYS N N 121.223 0.032 1
316 31 31 GLU H H 8.046 0.009 1
317 31 31 GLU HA H 4.013 0.009 1
318 31 31 GLU HB2 H 2.133 0.01 1
319 31 31 GLU HB3 H 2.132 0.01 1
320 31 31 GLU HG2 H 2.291 0.004 1
321 31 31 GLU HG3 H 2.441 0.013 1
322 31 31 GLU C C 178.122 0.015 1
323 31 31 GLU CA C 59.704 0.057 1
324 31 31 GLU CB C 29.332 0.019 1
325 31 31 GLU CG C 36.234 0.007 1
326 31 31 GLU N N 119.717 0.033 1
327 32 32 TYR H H 8.010 0.009 1
328 32 32 TYR HA H 4.245 0.006 1
329 32 32 TYR HB2 H 3.206 0.005 1
330 32 32 TYR HB3 H 3.206 0.005 1
331 32 32 TYR HD1 H 7.053 0.004 3
332 32 32 TYR HD2 H 7.053 0.004 3
333 32 32 TYR HE1 H 6.737 0.004 3
334 32 32 TYR HE2 H 6.737 0.004 3
335 32 32 TYR C C 178.086 0.01 1
336 32 32 TYR CA C 61.917 0.033 1
337 32 32 TYR CB C 39.165 0.047 1
338 32 32 TYR CD1 C 133.747 0.044 3
339 32 32 TYR CD2 C 133.747 0.044 3
340 32 32 TYR CE1 C 118.609 . 3
341 32 32 TYR CE2 C 118.609 . 3
342 32 32 TYR N N 119.711 0.026 1
343 33 33 ILE H H 8.195 0.007 1
344 33 33 ILE HA H 3.767 0.004 1
345 33 33 ILE HB H 2.048 0.004 1
346 33 33 ILE HG12 H 1.393 0.007 1
347 33 33 ILE HG13 H 1.807 0.005 1
348 33 33 ILE HG2 H 0.976 0.01 1
349 33 33 ILE HD1 H 0.902 0.01 1
350 33 33 ILE C C 177.582 0.001 1
351 33 33 ILE CA C 64.214 0.034 1
352 33 33 ILE CB C 38.224 0.047 1
353 33 33 ILE CG1 C 29.161 0.028 1
354 33 33 ILE CG2 C 18.238 0.033 1
355 33 33 ILE CD1 C 13.328 0.024 1
356 33 33 ILE N N 116.722 0.04 1
357 34 34 THR H H 8.212 0.006 1
358 34 34 THR HA H 3.902 0.004 1
359 34 34 THR HB H 4.276 0.005 1
360 34 34 THR HG2 H 1.285 0.017 1
361 34 34 THR C C 176.573 0.02 1
362 34 34 THR CA C 66.631 0.05 1
363 34 34 THR CB C 68.954 0.023 1
364 34 34 THR CG2 C 22.021 0.022 1
365 34 34 THR N N 114.020 0.035 1
366 35 35 ASP H H 7.827 0.006 1
367 35 35 ASP HA H 4.476 0.006 1
368 35 35 ASP HB2 H 2.633 0.026 1
369 35 35 ASP HB3 H 2.825 0.005 1
370 35 35 ASP C C 177.940 0.01 1
371 35 35 ASP CA C 57.126 0.074 1
372 35 35 ASP CB C 41.776 0.042 1
373 35 35 ASP N N 120.959 0.031 1
374 36 36 LYS H H 7.616 0.006 1
375 36 36 LYS HA H 4.135 0.006 1
376 36 36 LYS HB2 H 1.770 0.012 1
377 36 36 LYS HB3 H 1.800 0.011 1
378 36 36 LYS HG2 H 1.213 0.013 1
379 36 36 LYS HG3 H 1.431 0.006 1
380 36 36 LYS HD2 H 1.455 0.007 1
381 36 36 LYS HD3 H 1.455 0.007 1
382 36 36 LYS HE2 H 2.675 0.004 1
383 36 36 LYS HE3 H 2.924 0.007 1
384 36 36 LYS C C 177.995 0.017 1
385 36 36 LYS CA C 57.033 0.064 1
386 36 36 LYS CB C 32.008 0.051 1
387 36 36 LYS CG C 24.420 0.041 1
388 36 36 LYS CD C 27.830 0.027 1
389 36 36 LYS CE C 42.681 0.074 1
390 36 36 LYS N N 116.277 0.029 1
391 37 37 ALA H H 8.259 0.005 1
392 37 37 ALA HA H 3.976 0.005 1
393 37 37 ALA HB H 1.465 0.03 1
394 37 37 ALA C C 178.806 0.0 1
395 37 37 ALA CA C 55.485 0.048 1
396 37 37 ALA CB C 18.584 0.028 1
397 37 37 ALA N N 121.399 0.034 1
398 38 38 ASP H H 7.989 0.013 1
399 38 38 ASP HA H 4.381 0.004 1
400 38 38 ASP HB2 H 2.694 0.006 1
401 38 38 ASP HB3 H 2.795 0.024 1
402 38 38 ASP C C 178.326 0.048 1
403 38 38 ASP CA C 56.836 0.043 1
404 38 38 ASP CB C 40.977 0.039 1
405 38 38 ASP N N 116.258 0.054 1
406 39 39 LYS H H 7.690 0.011 1
407 39 39 LYS HA H 4.120 0.005 1
408 39 39 LYS HB2 H 1.939 0.01 1
409 39 39 LYS HB3 H 1.946 0.007 1
410 39 39 LYS HE2 H 3.002 0.0 1
411 39 39 LYS HE3 H 3.002 0.0 1
412 39 39 LYS C C 178.609 . 1
413 39 39 LYS CA C 58.439 0.034 1
414 39 39 LYS CB C 32.756 0.045 1
415 39 39 LYS N N 118.504 0.039 1
416 40 40 VAL H H 7.731 0.008 1
417 40 40 VAL HA H 3.888 0.005 1
418 40 40 VAL HB H 2.179 0.005 1
419 40 40 VAL HG1 H 0.929 0.005 1
420 40 40 VAL HG2 H 1.001 0.006 1
421 40 40 VAL C C 176.685 0.008 1
422 40 40 VAL CA C 64.553 0.042 1
423 40 40 VAL CB C 32.440 0.07 1
424 40 40 VAL CG1 C 22.031 0.027 1
425 40 40 VAL CG2 C 22.129 0.019 1
426 40 40 VAL N N 116.008 0.059 1
427 41 41 ALA H H 8.045 0.007 1
428 41 41 ALA HA H 4.089 0.01 1
429 41 41 ALA HB H 1.462 0.009 1
430 41 41 ALA C C 179.134 0.004 1
431 41 41 ALA CA C 54.737 0.04 1
432 41 41 ALA CB C 18.688 0.021 1
433 41 41 ALA N N 122.332 0.032 1
434 42 42 GLY H H 7.979 0.004 1
435 42 42 GLY HA2 H 3.918 0.016 1
436 42 42 GLY HA3 H 3.941 0.01 1
437 42 42 GLY C C 174.982 0.011 1
438 42 42 GLY CA C 46.154 0.031 1
439 42 42 GLY N N 104.796 0.061 1
440 43 43 LYS H H 7.768 0.013 1
441 43 43 LYS HA H 4.325 0.01 1
442 43 43 LYS HB2 H 1.912 0.008 1
443 43 43 LYS HB3 H 1.912 0.008 1
444 43 43 LYS HG2 H 1.469 0.011 1
445 43 43 LYS HG3 H 1.469 0.011 1
446 43 43 LYS HD2 H 1.678 0.014 1
447 43 43 LYS HD3 H 1.679 0.013 1
448 43 43 LYS HE2 H 2.989 0.011 1
449 43 43 LYS HE3 H 2.989 0.011 1
450 43 43 LYS C C 176.625 0.011 1
451 43 43 LYS CA C 56.907 0.054 1
452 43 43 LYS CB C 33.510 0.029 1
453 43 43 LYS CG C 25.186 0.095 1
454 43 43 LYS CD C 29.087 0.063 1
455 43 43 LYS CE C 42.473 0.042 1
456 43 43 LYS N N 118.957 0.026 1
457 44 44 VAL H H 7.574 0.003 1
458 44 44 VAL HA H 4.121 0.004 1
459 44 44 VAL HB H 2.143 0.003 1
460 44 44 VAL HG1 H 0.904 0.009 1
461 44 44 VAL HG2 H 0.931 0.006 1
462 44 44 VAL C C 174.938 0.011 1
463 44 44 VAL CA C 62.472 0.026 1
464 44 44 VAL CB C 32.732 0.055 1
465 44 44 VAL CG1 C 21.785 0.024 1
466 44 44 VAL CG2 C 20.980 0.026 1
467 44 44 VAL N N 116.063 0.043 1
468 45 45 GLN H H 8.058 0.007 1
469 45 45 GLN HA H 4.629 0.01 1
470 45 45 GLN HB2 H 1.953 0.009 1
471 45 45 GLN HB3 H 2.085 0.014 1
472 45 45 GLN HG2 H 2.318 0.003 1
473 45 45 GLN HG3 H 2.318 0.003 1
474 45 45 GLN C C 173.874 . 1
475 45 45 GLN CA C 53.874 0.037 1
476 45 45 GLN CB C 29.451 0.04 1
477 45 45 GLN CG C 34.016 0.019 1
478 45 45 GLN N N 121.794 0.034 1
479 46 46 PRO HA H 4.414 0.006 1
480 46 46 PRO HB2 H 1.958 0.01 1
481 46 46 PRO HB3 H 2.258 0.006 1
482 46 46 PRO HG2 H 1.938 0.031 1
483 46 46 PRO HG3 H 2.015 0.019 1
484 46 46 PRO HD2 H 3.699 0.007 1
485 46 46 PRO HD3 H 3.699 0.007 1
486 46 46 PRO C C 177.326 0.007 1
487 46 46 PRO CA C 63.963 0.023 1
488 46 46 PRO CB C 32.314 0.037 1
489 46 46 PRO CG C 27.601 0.015 1
490 46 46 PRO CD C 50.800 0.023 1
491 47 47 GLU H H 8.407 0.002 1
492 47 47 GLU HA H 4.191 0.005 1
493 47 47 GLU HB2 H 1.949 0.006 1
494 47 47 GLU HB3 H 2.032 0.004 1
495 47 47 GLU HG2 H 2.260 0.007 1
496 47 47 GLU HG3 H 2.260 0.007 1
497 47 47 GLU C C 176.467 0.013 1
498 47 47 GLU CA C 57.556 0.031 1
499 47 47 GLU CB C 30.326 0.051 1
500 47 47 GLU CG C 36.296 0.002 1
501 47 47 GLU N N 119.307 0.035 1
502 48 48 ASP H H 8.074 0.006 1
503 48 48 ASP HA H 4.560 0.013 1
504 48 48 ASP HB2 H 2.596 0.003 1
505 48 48 ASP HB3 H 2.703 0.005 1
506 48 48 ASP C C 175.850 0.007 1
507 48 48 ASP CA C 54.766 0.05 1
508 48 48 ASP CB C 41.302 0.029 1
509 48 48 ASP N N 118.934 0.021 1
510 49 49 ASN H H 8.110 0.003 1
511 49 49 ASN HA H 4.647 0.003 1
512 49 49 ASN HB2 H 2.740 0.004 1
513 49 49 ASN HB3 H 2.827 0.008 1
514 49 49 ASN HD21 H 6.772 0.001 1
515 49 49 ASN HD22 H 7.414 0.001 1
516 49 49 ASN C C 174.962 0.009 1
517 49 49 ASN CA C 53.932 0.035 1
518 49 49 ASN CB C 39.241 0.029 1
519 49 49 ASN N N 117.585 0.026 1
520 49 49 ASN ND2 N 112.250 0.011 1
521 50 50 LYS H H 8.029 0.008 1
522 50 50 LYS HA H 4.275 0.023 1
523 50 50 LYS HB2 H 1.803 0.018 1
524 50 50 LYS HB3 H 1.841 0.021 1
525 50 50 LYS HG2 H 1.409 0.023 1
526 50 50 LYS HG3 H 1.456 0.015 1
527 50 50 LYS HD2 H 1.668 0.007 1
528 50 50 LYS HD3 H 1.668 0.007 1
529 50 50 LYS HE2 H 2.986 0.004 1
530 50 50 LYS HE3 H 2.986 0.004 1
531 50 50 LYS C C 176.971 0.015 1
532 50 50 LYS CA C 56.989 0.08 1
533 50 50 LYS CB C 33.145 0.023 1
534 50 50 LYS CG C 24.953 0.019 1
535 50 50 LYS CD C 29.347 0.016 1
536 50 50 LYS CE C 42.518 0.018 1
537 50 50 LYS N N 120.043 0.027 1
538 51 51 GLY H H 8.225 0.005 1
539 51 51 GLY HA2 H 4.014 0.003 1
540 51 51 GLY HA3 H 4.014 0.003 1
541 51 51 GLY C C 175.324 0.008 1
542 51 51 GLY CA C 46.049 0.044 1
543 51 51 GLY N N 109.126 0.032 1
544 52 52 VAL H H 7.876 0.009 1
545 52 52 VAL HA H 3.836 0.005 1
546 52 52 VAL HB H 1.899 0.004 1
547 52 52 VAL HG1 H 0.627 0.015 1
548 52 52 VAL HG2 H 0.790 0.017 1
549 52 52 VAL C C 176.420 0.0 1
550 52 52 VAL CA C 64.595 0.041 1
551 52 52 VAL CB C 32.282 0.05 1
552 52 52 VAL CG1 C 21.122 0.036 1
553 52 52 VAL CG2 C 21.374 0.041 1
554 52 52 VAL N N 119.388 0.043 1
555 53 53 PHE H H 7.971 0.003 1
556 53 53 PHE HA H 4.555 0.022 1
557 53 53 PHE HB2 H 3.051 0.005 1
558 53 53 PHE HB3 H 3.254 0.007 1
559 53 53 PHE HD1 H 7.251 0.007 3
560 53 53 PHE HD2 H 7.251 0.007 3
561 53 53 PHE HE1 H 7.235 0.005 3
562 53 53 PHE HE2 H 7.235 0.005 3
563 53 53 PHE HZ H 7.148 . 1
564 53 53 PHE C C 176.570 0.008 1
565 53 53 PHE CA C 59.014 0.038 1
566 53 53 PHE CB C 38.723 0.038 1
567 53 53 PHE CD1 C 132.392 0.101 3
568 53 53 PHE CD2 C 132.392 0.101 3
569 53 53 PHE CE1 C 131.560 . 3
570 53 53 PHE CE2 C 131.560 . 3
571 53 53 PHE CZ C 129.923 . 1
572 53 53 PHE N N 118.046 0.024 1
573 54 54 GLN H H 7.915 0.006 1
574 54 54 GLN HA H 4.136 0.007 1
575 54 54 GLN HB2 H 2.069 0.01 1
576 54 54 GLN HB3 H 2.083 0.012 1
577 54 54 GLN HG2 H 2.389 0.007 1
578 54 54 GLN HG3 H 2.390 0.004 1
579 54 54 GLN HE21 H 6.720 0.001 1
580 54 54 GLN HE22 H 7.494 0.007 1
581 54 54 GLN C C 177.313 0.001 1
582 54 54 GLN CA C 57.877 0.046 1
583 54 54 GLN CB C 29.053 0.041 1
584 54 54 GLN CG C 33.959 0.111 1
585 54 54 GLN N N 119.244 0.027 1
586 54 54 GLN NE2 N 112.331 0.008 1
587 55 55 GLY H H 8.067 0.004 1
588 55 55 GLY HA2 H 3.941 0.008 1
589 55 55 GLY HA3 H 3.946 0.006 1
590 55 55 GLY C C 175.419 0.009 1
591 55 55 GLY CA C 46.411 0.019 1
592 55 55 GLY N N 107.662 0.033 1
593 56 56 VAL H H 7.712 0.005 1
594 56 56 VAL HA H 3.936 0.009 1
595 56 56 VAL HB H 2.115 0.004 1
596 56 56 VAL HG1 H 0.892 0.019 1
597 56 56 VAL HG2 H 0.961 0.003 1
598 56 56 VAL C C 176.576 0.0 1
599 56 56 VAL CA C 64.435 0.079 1
600 56 56 VAL CB C 32.220 0.046 1
601 56 56 VAL CG1 C 21.549 0.012 1
602 56 56 VAL CG2 C 21.709 0.071 1
603 56 56 VAL N N 119.018 0.074 1
604 57 57 HIS H H 8.150 0.005 1
605 57 57 HIS HA H 4.509 0.019 1
606 57 57 HIS HB2 H 3.118 0.004 1
607 57 57 HIS HB3 H 3.318 0.006 1
608 57 57 HIS C C 175.141 0.019 1
609 57 57 HIS CA C 57.112 0.038 1
610 57 57 HIS CB C 29.084 0.041 1
611 57 57 HIS N N 118.867 0.029 1
612 58 58 ASP H H 8.267 0.01 1
613 58 58 ASP HA H 4.534 0.003 1
614 58 58 ASP HB2 H 2.696 0.004 1
615 58 58 ASP HB3 H 2.696 0.004 1
616 58 58 ASP C C 177.204 0.001 1
617 58 58 ASP CA C 55.583 0.036 1
618 58 58 ASP CB C 41.135 0.042 1
619 58 58 ASP N N 120.312 0.029 1
620 59 59 SER H H 8.067 0.011 1
621 59 59 SER HA H 4.320 0.008 1
622 59 59 SER HB2 H 3.871 0.007 1
623 59 59 SER HB3 H 3.947 0.004 1
624 59 59 SER C C 175.123 0.002 1
625 59 59 SER CA C 60.090 0.026 1
626 59 59 SER CB C 63.938 0.072 1
627 59 59 SER N N 116.227 0.033 1
628 60 60 ALA H H 8.135 0.014 1
629 60 60 ALA HA H 4.218 0.009 1
630 60 60 ALA HB H 1.411 0.007 1
631 60 60 ALA C C 178.230 0.015 1
632 60 60 ALA CA C 53.782 0.029 1
633 60 60 ALA CB C 19.148 0.038 1
634 60 60 ALA N N 124.907 0.032 1
635 61 61 GLU H H 8.019 0.011 1
636 61 61 GLU HA H 4.176 0.008 1
637 61 61 GLU HB2 H 1.950 0.013 1
638 61 61 GLU HB3 H 2.039 0.02 1
639 61 61 GLU HG2 H 2.215 0.008 1
640 61 61 GLU HG3 H 2.257 0.002 1
641 61 61 GLU C C 177.070 0.006 1
642 61 61 GLU CA C 57.388 0.035 1
643 61 61 GLU CB C 30.066 0.085 1
644 61 61 GLU CG C 36.277 0.002 1
645 61 61 GLU N N 118.188 0.061 1
646 62 62 LYS H H 7.891 0.01 1
647 62 62 LYS HA H 4.272 0.005 1
648 62 62 LYS HB2 H 1.839 0.011 1
649 62 62 LYS HB3 H 1.847 0.008 1
650 62 62 LYS HG2 H 1.409 0.004 1
651 62 62 LYS HG3 H 1.452 0.022 1
652 62 62 LYS HD2 H 1.664 0.003 1
653 62 62 LYS HD3 H 1.664 0.003 1
654 62 62 LYS HE2 H 2.984 0.0 1
655 62 62 LYS HE3 H 2.984 0.0 1
656 62 62 LYS C C 177.528 0.001 1
657 62 62 LYS CA C 57.056 0.071 1
658 62 62 LYS CB C 33.032 0.025 1
659 62 62 LYS N N 120.594 0.053 1
660 63 63 GLY H H 8.220 0.004 1
661 63 63 GLY HA2 H 3.898 0.018 1
662 63 63 GLY HA3 H 3.937 0.009 1
663 63 63 GLY C C 174.472 0.001 1
664 63 63 GLY CA C 45.970 0.02 1
665 63 63 GLY N N 108.737 0.043 1
666 64 64 LYS H H 7.952 0.006 1
667 64 64 LYS HA H 4.278 0.006 1
668 64 64 LYS HB2 H 1.760 0.011 1
669 64 64 LYS HB3 H 1.851 0.008 1
670 64 64 LYS HG2 H 1.405 . 1
671 64 64 LYS HG3 H 1.452 . 1
672 64 64 LYS HD2 H 1.663 . 1
673 64 64 LYS HD3 H 1.663 . 1
674 64 64 LYS HE2 H 2.984 . 1
675 64 64 LYS HE3 H 2.984 . 1
676 64 64 LYS C C 176.669 0.011 1
677 64 64 LYS CA C 56.999 0.038 1
678 64 64 LYS CB C 33.137 0.023 1
679 64 64 LYS N N 120.373 0.033 1
680 65 65 ASP H H 8.226 0.004 1
681 65 65 ASP HA H 4.554 0.011 1
682 65 65 ASP HB2 H 2.615 0.014 1
683 65 65 ASP HB3 H 2.677 0.011 1
684 65 65 ASP C C 176.291 0.009 1
685 65 65 ASP CA C 54.984 0.043 1
686 65 65 ASP CB C 41.254 0.022 1
687 65 65 ASP N N 120.512 0.032 1
688 66 66 ASN H H 8.149 0.005 1
689 66 66 ASN HA H 4.661 0.006 1
690 66 66 ASN HB2 H 2.751 0.019 1
691 66 66 ASN HB3 H 2.813 0.015 1
692 66 66 ASN HD21 H 6.794 0.009 1
693 66 66 ASN HD22 H 7.453 0.023 1
694 66 66 ASN C C 175.327 0.025 1
695 66 66 ASN CA C 53.669 0.043 1
696 66 66 ASN CB C 39.256 0.054 1
697 66 66 ASN N N 118.763 0.039 1
698 66 66 ASN ND2 N 112.351 0.01 1
699 67 67 ALA H H 8.138 0.007 1
700 67 67 ALA HA H 4.270 0.005 1
701 67 67 ALA HB H 1.393 0.005 1
702 67 67 ALA C C 177.940 0.011 1
703 67 67 ALA CA C 53.360 0.161 1
704 67 67 ALA CB C 19.376 0.014 1
705 67 67 ALA N N 123.984 0.027 1
706 68 68 GLU H H 8.210 0.002 1
707 68 68 GLU HA H 4.252 0.007 1
708 68 68 GLU HB2 H 1.955 0.007 1
709 68 68 GLU HB3 H 2.068 0.007 1
710 68 68 GLU HG2 H 2.250 0.016 1
711 68 68 GLU HG3 H 2.244 0.005 1
712 68 68 GLU C C 177.260 0.005 1
713 68 68 GLU CA C 57.188 0.082 1
714 68 68 GLU CB C 30.159 0.036 1
715 68 68 GLU CG C 36.297 0.009 1
716 68 68 GLU N N 119.013 0.043 1
717 69 69 GLY H H 8.218 0.006 1
718 69 69 GLY HA2 H 3.954 0.016 1
719 69 69 GLY HA3 H 3.973 0.015 1
720 69 69 GLY C C 174.375 0.009 1
721 69 69 GLY CA C 45.797 0.021 1
722 69 69 GLY N N 109.458 0.037 1
723 70 70 GLN H H 8.127 0.005 1
724 70 70 GLN HA H 4.371 0.004 1
725 70 70 GLN HB2 H 1.980 0.01 1
726 70 70 GLN HB3 H 2.150 0.006 1
727 70 70 GLN HG2 H 2.339 0.009 1
728 70 70 GLN HG3 H 2.339 0.009 1
729 70 70 GLN HE22 H 7.392 . 1
730 70 70 GLN C C 176.483 0.013 1
731 70 70 GLN CA C 56.146 0.032 1
732 70 70 GLN CB C 29.733 0.027 1
733 70 70 GLN CG C 34.085 0.017 1
734 70 70 GLN N N 119.492 0.03 1
735 71 71 GLY H H 8.346 0.004 1
736 71 71 GLY HA2 H 3.936 0.007 1
737 71 71 GLY HA3 H 3.950 0.011 1
738 71 71 GLY C C 173.934 0.003 1
739 71 71 GLY CA C 45.752 0.064 1
740 71 71 GLY N N 109.805 0.027 1
741 72 72 GLU H H 8.159 0.009 1
742 72 72 GLU HA H 4.402 0.018 1
743 72 72 GLU HB2 H 1.937 0.006 1
744 72 72 GLU HB3 H 2.081 0.025 1
745 72 72 GLU HG2 H 2.309 0.004 1
746 72 72 GLU HG3 H 2.309 0.004 1
747 72 72 GLU C C 176.537 0.011 1
748 72 72 GLU CA C 56.619 0.034 1
749 72 72 GLU CB C 30.707 0.046 1
750 72 72 GLU CG C 35.804 0.008 1
751 72 72 GLU N N 120.393 0.031 1
752 73 73 SER H H 8.662 0.013 1
753 73 73 SER HA H 4.547 0.005 1
754 73 73 SER HB2 H 3.977 0.004 1
755 73 73 SER HB3 H 4.236 0.005 1
756 73 73 SER C C 175.424 0.007 1
757 73 73 SER CA C 58.241 0.025 1
758 73 73 SER CB C 64.849 0.042 1
759 73 73 SER N N 118.037 0.118 1
760 74 74 LEU H H 8.462 0.013 1
761 74 74 LEU HA H 4.168 0.006 1
762 74 74 LEU HB2 H 1.582 0.009 1
763 74 74 LEU HB3 H 1.804 0.004 1
764 74 74 LEU HG H 1.726 0.005 1
765 74 74 LEU HD1 H 0.903 0.008 1
766 74 74 LEU HD2 H 0.954 0.008 1
767 74 74 LEU C C 178.486 0.017 1
768 74 74 LEU CA C 58.179 0.042 1
769 74 74 LEU CB C 42.078 0.037 1
770 74 74 LEU CG C 27.526 0.028 1
771 74 74 LEU CD1 C 24.458 0.057 1
772 74 74 LEU CD2 C 25.085 0.029 1
773 74 74 LEU N N 124.133 0.035 1
774 75 75 ALA H H 8.102 0.008 1
775 75 75 ALA HA H 3.952 0.004 1
776 75 75 ALA HB H 1.395 0.03 1
777 75 75 ALA C C 179.117 0.017 1
778 75 75 ALA CA C 55.469 0.021 1
779 75 75 ALA CB C 18.707 0.033 1
780 75 75 ALA N N 120.053 0.024 1
781 76 76 ASP H H 7.705 0.004 1
782 76 76 ASP HA H 4.372 0.005 1
783 76 76 ASP HB2 H 2.728 0.009 1
784 76 76 ASP HB3 H 2.787 0.003 1
785 76 76 ASP C C 178.501 0.009 1
786 76 76 ASP CA C 57.306 0.028 1
787 76 76 ASP CB C 40.629 0.031 1
788 76 76 ASP N N 117.182 0.032 1
789 77 77 GLN H H 7.967 0.013 1
790 77 77 GLN HA H 4.113 0.007 1
791 77 77 GLN HB2 H 2.132 0.013 1
792 77 77 GLN HB3 H 2.131 0.012 1
793 77 77 GLN HG2 H 2.265 0.006 1
794 77 77 GLN HG3 H 2.399 0.012 1
795 77 77 GLN HE21 H 6.660 . 1
796 77 77 GLN HE22 H 6.865 . 1
797 77 77 GLN C C 178.079 0.017 1
798 77 77 GLN CA C 58.740 0.063 1
799 77 77 GLN CB C 29.509 0.026 1
800 77 77 GLN CG C 34.745 0.053 1
801 77 77 GLN N N 119.452 0.06 1
802 78 78 ALA H H 8.448 0.007 1
803 78 78 ALA HA H 4.112 0.005 1
804 78 78 ALA HB H 1.490 0.013 1
805 78 78 ALA C C 179.095 0.001 1
806 78 78 ALA CA C 55.422 0.031 1
807 78 78 ALA CB C 18.663 0.017 1
808 78 78 ALA N N 121.361 0.026 1
809 79 79 ARG H H 8.043 0.005 1
810 79 79 ARG HA H 3.971 0.007 1
811 79 79 ARG HB2 H 1.925 0.01 1
812 79 79 ARG HB3 H 1.925 0.01 1
813 79 79 ARG HG2 H 1.620 0.013 1
814 79 79 ARG HG3 H 1.866 0.017 1
815 79 79 ARG HD2 H 3.227 0.018 1
816 79 79 ARG HD3 H 3.233 0.014 1
817 79 79 ARG HE H 7.125 0.002 1
818 79 79 ARG C C 179.088 . 1
819 79 79 ARG CA C 59.919 0.041 1
820 79 79 ARG CB C 30.313 0.136 1
821 79 79 ARG CG C 28.615 0.041 1
822 79 79 ARG CD C 43.626 0.013 1
823 79 79 ARG CZ C 159.547 . 1
824 79 79 ARG N N 116.956 0.029 1
825 79 79 ARG NE N 84.738 0.029 1
826 80 80 ASP H H 7.966 0.004 1
827 80 80 ASP HA H 4.469 0.006 1
828 80 80 ASP HB2 H 2.581 0.005 1
829 80 80 ASP HB3 H 2.728 0.007 1
830 80 80 ASP C C 179.031 0.009 1
831 80 80 ASP CA C 57.167 0.046 1
832 80 80 ASP CB C 40.219 0.041 1
833 80 80 ASP N N 120.753 0.026 1
834 81 81 TYR H H 8.090 0.015 1
835 81 81 TYR HA H 4.416 0.016 1
836 81 81 TYR HB2 H 3.070 0.003 1
837 81 81 TYR HB3 H 3.071 0.004 1
838 81 81 TYR HD1 H 7.082 0.002 3
839 81 81 TYR HD2 H 7.082 0.002 3
840 81 81 TYR HE1 H 6.795 . 3
841 81 81 TYR HE2 H 6.795 . 3
842 81 81 TYR C C 177.906 0.002 1
843 81 81 TYR CA C 61.003 0.047 1
844 81 81 TYR CB C 38.562 0.019 1
845 81 81 TYR CD1 C 133.056 0.064 3
846 81 81 TYR CD2 C 133.056 0.064 3
847 81 81 TYR CE1 C 118.791 . 3
848 81 81 TYR CE2 C 118.791 . 3
849 81 81 TYR N N 120.169 0.034 1
850 82 82 MET H H 8.356 0.007 1
851 82 82 MET HA H 4.212 0.005 1
852 82 82 MET HB2 H 2.587 0.004 1
853 82 82 MET HB3 H 2.711 0.005 1
854 82 82 MET HG2 H 2.157 0.008 1
855 82 82 MET HG3 H 2.236 0.006 1
856 82 82 MET C C 178.201 0.025 1
857 82 82 MET CA C 59.004 0.025 1
858 82 82 MET CB C 33.033 0.132 1
859 82 82 MET CG C 32.904 0.101 1
860 82 82 MET N N 118.378 0.047 1
861 83 83 GLY H H 8.255 0.005 1
862 83 83 GLY HA2 H 3.837 0.003 1
863 83 83 GLY HA3 H 3.993 0.007 1
864 83 83 GLY C C 176.717 0.017 1
865 83 83 GLY CA C 47.488 0.045 1
866 83 83 GLY N N 106.544 0.031 1
867 84 84 ALA H H 7.840 0.005 1
868 84 84 ALA HA H 4.265 0.005 1
869 84 84 ALA HB H 1.561 0.007 1
870 84 84 ALA C C 180.192 0.005 1
871 84 84 ALA CA C 54.802 0.038 1
872 84 84 ALA CB C 18.658 0.019 1
873 84 84 ALA N N 125.254 0.037 1
874 85 85 ALA H H 8.285 0.012 1
875 85 85 ALA HA H 3.993 0.004 1
876 85 85 ALA HB H 1.506 0.007 1
877 85 85 ALA C C 178.884 0.011 1
878 85 85 ALA CA C 55.452 0.019 1
879 85 85 ALA CB C 18.616 0.021 1
880 85 85 ALA N N 121.168 0.046 1
881 86 86 LYS H H 8.306 0.005 1
882 86 86 LYS HA H 3.853 0.016 1
883 86 86 LYS HB2 H 1.942 0.018 1
884 86 86 LYS HB3 H 2.006 0.016 1
885 86 86 LYS HG2 H 1.469 0.008 1
886 86 86 LYS HG3 H 1.587 0.007 1
887 86 86 LYS HD2 H 1.761 0.03 1
888 86 86 LYS HD3 H 1.753 0.029 1
889 86 86 LYS HE2 H 2.998 0.006 1
890 86 86 LYS HE3 H 2.998 0.006 1
891 86 86 LYS C C 178.470 0.003 1
892 86 86 LYS CA C 60.393 0.043 1
893 86 86 LYS CB C 32.442 0.011 1
894 86 86 LYS CG C 25.767 0.075 1
895 86 86 LYS CD C 29.712 0.023 1
896 86 86 LYS N N 116.851 0.032 1
897 87 87 SER H H 7.804 0.012 1
898 87 87 SER HA H 4.284 0.005 1
899 87 87 SER HB2 H 4.027 0.01 1
900 87 87 SER HB3 H 4.027 0.01 1
901 87 87 SER C C 176.485 . 1
902 87 87 SER CA C 61.764 0.051 1
903 87 87 SER CB C 63.237 0.034 1
904 87 87 SER N N 113.477 0.032 1
905 88 88 LYS H H 7.790 0.004 1
906 88 88 LYS HA H 4.325 0.011 1
907 88 88 LYS HB2 H 1.905 0.009 1
908 88 88 LYS HB3 H 1.995 0.006 1
909 88 88 LYS HG2 H 1.562 0.047 1
910 88 88 LYS HG3 H 1.588 0.008 1
911 88 88 LYS HD2 H 1.541 0.003 1
912 88 88 LYS HD3 H 1.541 0.003 1
913 88 88 LYS HE2 H 2.995 0.0 1
914 88 88 LYS HE3 H 2.995 0.0 1
915 88 88 LYS C C 178.554 0.041 1
916 88 88 LYS CA C 57.817 0.06 1
917 88 88 LYS CB C 32.092 0.03 1
918 88 88 LYS CG C 25.487 0.005 1
919 88 88 LYS N N 120.750 0.026 1
920 89 89 LEU H H 8.126 0.008 1
921 89 89 LEU HA H 4.072 0.007 1
922 89 89 LEU HB2 H 1.786 0.021 1
923 89 89 LEU HB3 H 1.787 0.02 1
924 89 89 LEU HG H 1.788 0.004 1
925 89 89 LEU HD1 H 0.902 0.005 1
926 89 89 LEU HD2 H 0.904 0.005 1
927 89 89 LEU C C 178.290 0.054 1
928 89 89 LEU CA C 58.349 0.031 1
929 89 89 LEU CB C 41.785 0.032 1
930 89 89 LEU CG C 27.311 0.054 1
931 89 89 LEU CD1 C 24.875 0.035 1
932 89 89 LEU CD2 C 24.878 0.035 1
933 89 89 LEU N N 119.827 0.039 1
934 90 90 ASN H H 8.160 0.006 1
935 90 90 ASN HA H 4.370 0.01 1
936 90 90 ASN HB2 H 2.909 0.03 1
937 90 90 ASN HB3 H 2.911 0.03 1
938 90 90 ASN HD21 H 6.763 . 1
939 90 90 ASN HD22 H 7.488 . 1
940 90 90 ASN C C 177.721 0.009 1
941 90 90 ASN CA C 57.322 0.022 1
942 90 90 ASN CB C 39.100 0.048 1
943 90 90 ASN N N 116.901 0.034 1
944 91 91 ASP H H 7.979 0.017 1
945 91 91 ASP HA H 4.434 0.006 1
946 91 91 ASP HB2 H 2.719 0.005 1
947 91 91 ASP HB3 H 2.929 0.006 1
948 91 91 ASP C C 178.764 0.012 1
949 91 91 ASP CA C 57.530 0.016 1
950 91 91 ASP CB C 40.227 0.069 1
951 91 91 ASP N N 119.712 0.039 1
952 92 92 ALA H H 8.198 0.013 1
953 92 92 ALA HA H 4.180 0.008 1
954 92 92 ALA HB H 1.577 0.029 1
955 92 92 ALA C C 178.973 0.004 1
956 92 92 ALA CA C 55.667 0.018 1
957 92 92 ALA CB C 18.651 0.042 1
958 92 92 ALA N N 123.685 0.043 1
959 93 93 VAL H H 8.387 0.006 1
960 93 93 VAL HA H 3.573 0.004 1
961 93 93 VAL HB H 2.284 0.006 1
962 93 93 VAL HG1 H 0.985 0.005 1
963 93 93 VAL HG2 H 1.116 0.004 1
964 93 93 VAL C C 178.787 . 1
965 93 93 VAL CA C 67.300 0.039 1
966 93 93 VAL CB C 31.946 0.094 1
967 93 93 VAL CG1 C 21.552 0.009 1
968 93 93 VAL CG2 C 23.297 0.046 1
969 93 93 VAL N N 118.048 0.035 1
970 94 94 GLU H H 8.124 0.006 1
971 94 94 GLU HA H 4.027 0.007 1
972 94 94 GLU HB2 H 2.133 0.014 1
973 94 94 GLU HB3 H 2.148 0.017 1
974 94 94 GLU HG2 H 2.429 0.008 1
975 94 94 GLU HG3 H 2.429 0.008 1
976 94 94 GLU C C 179.323 0.014 1
977 94 94 GLU CA C 59.800 0.021 1
978 94 94 GLU CB C 29.433 0.065 1
979 94 94 GLU CG C 36.226 0.003 1
980 94 94 GLU N N 120.276 0.027 1
981 95 95 TYR H H 8.146 0.004 1
982 95 95 TYR HA H 4.205 0.022 1
983 95 95 TYR HB2 H 3.239 0.005 1
984 95 95 TYR HB3 H 3.239 0.005 1
985 95 95 TYR HD1 H 7.057 0.005 3
986 95 95 TYR HD2 H 7.057 0.005 3
987 95 95 TYR HE1 H 6.746 0.007 3
988 95 95 TYR HE2 H 6.746 0.007 3
989 95 95 TYR C C 178.407 0.003 1
990 95 95 TYR CA C 61.732 0.021 1
991 95 95 TYR CB C 38.756 0.033 1
992 95 95 TYR CD1 C 133.780 0.062 3
993 95 95 TYR CD2 C 133.780 0.062 3
994 95 95 TYR CE1 C 118.676 0.022 3
995 95 95 TYR CE2 C 118.676 0.022 3
996 95 95 TYR N N 120.732 0.022 1
997 96 96 VAL H H 8.453 0.005 1
998 96 96 VAL HA H 3.459 0.007 1
999 96 96 VAL HB H 2.203 0.021 1
1000 96 96 VAL HG1 H 0.972 0.019 1
1001 96 96 VAL HG2 H 1.216 0.021 1
1002 96 96 VAL C C 177.748 0.005 1
1003 96 96 VAL CA C 66.851 0.046 1
1004 96 96 VAL CB C 32.116 0.052 1
1005 96 96 VAL CG1 C 22.401 0.025 1
1006 96 96 VAL CG2 C 23.415 0.025 1
1007 96 96 VAL N N 118.420 0.043 1
1008 97 97 SER H H 8.593 0.003 1
1009 97 97 SER HA H 4.039 0.009 1
1010 97 97 SER HB2 H 3.984 0.025 1
1011 97 97 SER HB3 H 3.984 0.025 1
1012 97 97 SER C C 176.926 . 1
1013 97 97 SER CA C 61.981 0.037 1
1014 97 97 SER CB C 63.420 0.036 1
1015 97 97 SER N N 114.411 0.026 1
1016 98 98 GLY H H 7.881 0.006 1
1017 98 98 GLY HA2 H 3.904 0.025 1
1018 98 98 GLY HA3 H 3.910 0.025 1
1019 98 98 GLY C C 175.568 0.002 1
1020 98 98 GLY CA C 46.697 0.035 1
1021 98 98 GLY N N 107.474 0.026 1
1022 99 99 ARG H H 7.563 0.006 1
1023 99 99 ARG HA H 4.175 0.008 1
1024 99 99 ARG HB2 H 1.746 0.01 1
1025 99 99 ARG HB3 H 1.838 0.005 1
1026 99 99 ARG HG2 H 1.474 0.006 1
1027 99 99 ARG HG3 H 1.474 0.006 1
1028 99 99 ARG HD2 H 2.947 0.006 1
1029 99 99 ARG HD3 H 3.071 0.007 1
1030 99 99 ARG HE H 7.100 0.002 1
1031 99 99 ARG C C 177.899 0.009 1
1032 99 99 ARG CA C 57.319 0.035 1
1033 99 99 ARG CB C 30.321 0.061 1
1034 99 99 ARG CG C 27.226 0.097 1
1035 99 99 ARG CD C 42.833 0.017 1
1036 99 99 ARG CZ C 159.562 . 1
1037 99 99 ARG N N 119.821 0.035 1
1038 99 99 ARG NE N 83.776 0.023 1
1039 100 100 VAL H H 7.841 0.008 1
1040 100 100 VAL HA H 3.924 0.005 1
1041 100 100 VAL HB H 2.001 0.005 1
1042 100 100 VAL HG1 H 0.753 0.004 1
1043 100 100 VAL HG2 H 0.875 0.003 1
1044 100 100 VAL C C 176.316 0.013 1
1045 100 100 VAL CA C 64.154 0.03 1
1046 100 100 VAL CB C 32.405 0.053 1
1047 100 100 VAL CG1 C 21.355 0.015 1
1048 100 100 VAL CG2 C 21.473 0.065 1
1049 100 100 VAL N N 116.362 0.028 1
1050 101 101 HIS H H 7.991 0.007 1
1051 101 101 HIS HA H 4.773 0.005 1
1052 101 101 HIS HB2 H 3.193 0.003 1
1053 101 101 HIS HB3 H 3.362 0.004 1
1054 101 101 HIS C C 175.212 0.008 1
1055 101 101 HIS CA C 55.786 0.027 1
1056 101 101 HIS CB C 29.160 0.029 1
1057 101 101 HIS N N 117.182 0.021 1
1058 102 102 GLY H H 7.927 0.007 1
1059 102 102 GLY HA2 H 3.935 0.004 1
1060 102 102 GLY HA3 H 4.051 0.015 1
1061 102 102 GLY C C 174.136 0.004 1
1062 102 102 GLY CA C 45.883 0.046 1
1063 102 102 GLY N N 108.994 0.027 1
1064 103 103 GLU H H 8.245 0.016 1
1065 103 103 GLU HA H 4.293 0.004 1
1066 103 103 GLU HB2 H 1.885 0.004 1
1067 103 103 GLU HB3 H 2.023 0.005 1
1068 103 103 GLU HG2 H 2.230 0.004 1
1069 103 103 GLU HG3 H 2.230 0.004 1
1070 103 103 GLU C C 176.440 0.012 1
1071 103 103 GLU CA C 56.601 0.05 1
1072 103 103 GLU CB C 30.710 0.072 1
1073 103 103 GLU CG C 36.298 0.007 1
1074 103 103 GLU N N 120.312 0.023 1
1075 104 104 GLU H H 8.281 0.011 1
1076 104 104 GLU HA H 4.241 0.006 1
1077 104 104 GLU HB2 H 1.890 0.008 1
1078 104 104 GLU HB3 H 1.978 0.01 1
1079 104 104 GLU HG2 H 2.173 0.001 1
1080 104 104 GLU HG3 H 2.220 0.003 1
1081 104 104 GLU C C 175.801 0.01 1
1082 104 104 GLU CA C 56.608 0.035 1
1083 104 104 GLU CB C 30.637 0.08 1
1084 104 104 GLU CG C 36.291 0.004 1
1085 104 104 GLU N N 121.826 0.04 1
1086 105 105 ASP H H 8.266 0.013 1
1087 105 105 ASP HA H 4.877 0.004 1
1088 105 105 ASP HB2 H 2.578 0.006 1
1089 105 105 ASP HB3 H 2.770 0.008 1
1090 105 105 ASP C C 175.291 . 1
1091 105 105 ASP CA C 51.865 0.034 1
1092 105 105 ASP CB C 41.769 0.019 1
1093 105 105 ASP N N 122.426 0.034 1
1094 106 106 PRO HA H 4.461 0.037 1
1095 106 106 PRO HB2 H 2.004 0.007 1
1096 106 106 PRO HB3 H 2.289 0.004 1
1097 106 106 PRO HG2 H 1.968 0.01 1
1098 106 106 PRO HG3 H 2.013 0.012 1
1099 106 106 PRO HD2 H 3.873 0.003 1
1100 106 106 PRO HD3 H 3.873 0.003 1
1101 106 106 PRO C C 177.637 0.0 1
1102 106 106 PRO CA C 64.134 0.031 1
1103 106 106 PRO CB C 32.390 0.05 1
1104 106 106 PRO CG C 27.189 0.003 1
1105 106 106 PRO CD C 51.121 0.015 1
1106 107 107 THR H H 8.294 0.005 1
1107 107 107 THR HA H 4.254 0.008 1
1108 107 107 THR HB H 4.245 0.006 1
1109 107 107 THR HG2 H 1.212 0.009 1
1110 107 107 THR C C 174.911 0.01 1
1111 107 107 THR CA C 63.014 0.048 1
1112 107 107 THR CB C 69.697 0.028 1
1113 107 107 THR CG2 C 21.952 0.01 1
1114 107 107 THR N N 111.794 0.034 1
1115 108 108 LYS H H 7.674 0.003 1
1116 108 108 LYS HA H 4.322 0.004 1
1117 108 108 LYS HB2 H 1.728 0.005 1
1118 108 108 LYS HB3 H 1.892 0.006 1
1119 108 108 LYS HG2 H 1.344 0.022 1
1120 108 108 LYS HG3 H 1.401 0.013 1
1121 108 108 LYS HD2 H 1.652 0.007 1
1122 108 108 LYS HD3 H 1.642 . 1
1123 108 108 LYS HE2 H 2.976 0.003 1
1124 108 108 LYS HE3 H 2.976 0.003 1
1125 108 108 LYS C C 175.415 0.002 1
1126 108 108 LYS CA C 56.407 0.05 1
1127 108 108 LYS CB C 33.092 0.056 1
1128 108 108 LYS N N 122.991 0.033 1
1129 109 109 LYS H H 7.577 0.002 1
1130 109 109 LYS HA H 4.122 0.004 1
1131 109 109 LYS HB2 H 1.667 0.004 1
1132 109 109 LYS HB3 H 1.794 0.004 1
1133 109 109 LYS HG2 H 1.361 0.003 1
1134 109 109 LYS HG3 H 1.361 0.003 1
1135 109 109 LYS HD2 H 1.628 0.017 1
1136 109 109 LYS HD3 H 1.626 0.018 1
1137 109 109 LYS HE2 H 2.959 0.012 1
1138 109 109 LYS HE3 H 2.959 0.012 1
1139 109 109 LYS C C 181.190 . 1
1140 109 109 LYS CA C 57.857 0.026 1
1141 109 109 LYS CB C 33.944 0.073 1
1142 109 109 LYS CG C 24.911 0.083 1
1143 109 109 LYS CD C 29.279 0.035 1
1144 109 109 LYS CE C 42.512 0.016 1
1145 109 109 LYS N N 127.298 0.034 1
stop_
save_