data_17910
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
WT alpha-synuclein fibrils in the presence of phospholipid vesicles
;
_BMRB_accession_number 17910
_BMRB_flat_file_name bmr17910.str
_Entry_type original
_Submission_date 2011-09-01
_Accession_date 2011-09-01
_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 Comellas Gemma . .
2 Lemkau Luisel R. .
3 Zhou Donghua H. .
4 George Julia M. .
5 Rienstra Chad M. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"13C chemical shifts" 180
"15N chemical shifts" 51
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2012-03-29 update BMRB 'update entry citation'
2012-02-28 original author 'original release'
stop_
loop_
_Related_BMRB_accession_number
_Relationship
16939 'alpha-synuclein fibrils'
17214 'alpha-synuclein fibrils'
17648 'A30P alpha-synuclein fibrils'
17649 'A53T alpha-synuclein fibrils'
17654 'E46K alpha-synuclein fibrils'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Structural intermediates during -synuclein fibrillogenesis on phospholipid vesicles.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 22352310
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Comellas Gemma . .
2 Lemkau 'Luisel Rodriguez' . .
3 Zhou Donghua H. .
4 George Julia M. .
5 Rienstra 'Chad Michael' . .
stop_
_Journal_abbreviation 'J. Am. Chem. Soc.'
_Journal_name_full 'Journal of the American Chemical Society'
_Journal_volume 134
_Journal_issue 11
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 5090
_Page_last 5099
_Year 2012
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name alpha-synuclein
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
alpha-synuclein $alpha-synuclein
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_alpha-synuclein
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common wild-type_alpha-synuclein_formed_in_phospholipid_vesicles
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 140
_Mol_residue_sequence
;
MDVFMKGKSKAKEGVVAAAE
KTKQGVAEAAGKTKEGVLYV
GSKTKEGVVHGVATVAEKTK
EQVTNVGGAVVTGVTAVAQK
TVEGAGSIAAATGFVKKDQL
GKNEEGAPQEGILEDMPVDP
DNEAYEMPSEEGYQDYEPEA
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 ASP 3 VAL 4 PHE 5 MET
6 LYS 7 GLY 8 LYS 9 SER 10 LYS
11 ALA 12 LYS 13 GLU 14 GLY 15 VAL
16 VAL 17 ALA 18 ALA 19 ALA 20 GLU
21 LYS 22 THR 23 LYS 24 GLN 25 GLY
26 VAL 27 ALA 28 GLU 29 ALA 30 ALA
31 GLY 32 LYS 33 THR 34 LYS 35 GLU
36 GLY 37 VAL 38 LEU 39 TYR 40 VAL
41 GLY 42 SER 43 LYS 44 THR 45 LYS
46 GLU 47 GLY 48 VAL 49 VAL 50 HIS
51 GLY 52 VAL 53 ALA 54 THR 55 VAL
56 ALA 57 GLU 58 LYS 59 THR 60 LYS
61 GLU 62 GLN 63 VAL 64 THR 65 ASN
66 VAL 67 GLY 68 GLY 69 ALA 70 VAL
71 VAL 72 THR 73 GLY 74 VAL 75 THR
76 ALA 77 VAL 78 ALA 79 GLN 80 LYS
81 THR 82 VAL 83 GLU 84 GLY 85 ALA
86 GLY 87 SER 88 ILE 89 ALA 90 ALA
91 ALA 92 THR 93 GLY 94 PHE 95 VAL
96 LYS 97 LYS 98 ASP 99 GLN 100 LEU
101 GLY 102 LYS 103 ASN 104 GLU 105 GLU
106 GLY 107 ALA 108 PRO 109 GLN 110 GLU
111 GLY 112 ILE 113 LEU 114 GLU 115 ASP
116 MET 117 PRO 118 VAL 119 ASP 120 PRO
121 ASP 122 ASN 123 GLU 124 ALA 125 TYR
126 GLU 127 MET 128 PRO 129 SER 130 GLU
131 GLU 132 GLY 133 TYR 134 GLN 135 ASP
136 TYR 137 GLU 138 PRO 139 GLU 140 ALA
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-10-14
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
BMRB 16300 alpha-synuclein 100.00 140 99.29 99.29 2.03e-88
BMRB 16302 alpha-synuclein 100.00 140 99.29 99.29 2.03e-88
BMRB 16342 human_a-synuclein 100.00 140 99.29 99.29 2.03e-88
BMRB 16543 "monomer alpha-synuclein" 100.00 140 99.29 99.29 2.03e-88
BMRB 16546 A30P_alpha-synuclein 100.00 140 98.57 98.57 2.19e-87
BMRB 16547 E46K_alpha-synuclein 100.00 140 98.57 99.29 8.94e-88
BMRB 16548 A53T_alpha-synuclein 100.00 140 98.57 98.57 7.35e-88
BMRB 16904 alpha-synuclein 100.00 140 99.29 99.29 2.03e-88
BMRB 16939 WT_alpha-synuclein_fibrils 100.00 140 100.00 100.00 1.79e-89
BMRB 17214 A30P_alpha-synuclein 100.00 140 98.57 98.57 2.19e-87
BMRB 17498 alpha-synuclein 100.00 140 99.29 99.29 2.03e-88
BMRB 17648 A30P_alpha-synuclein 100.00 140 99.29 99.29 1.49e-88
BMRB 17649 A53T_alpha-synuclein_fibrils 100.00 140 99.29 99.29 8.19e-89
BMRB 17654 E46K_alpha-synuclein_fibrils 100.00 140 99.29 100.00 7.58e-89
BMRB 17665 aSyn 100.00 150 99.29 99.29 7.53e-88
BMRB 18207 A53T_alpha-synuclein_fibrils 100.00 140 99.29 99.29 8.19e-89
BMRB 18208 E46K_alpha-synuclein_fibrils 100.00 140 99.29 100.00 7.58e-89
BMRB 18243 alpha-synuclein_fibrils 100.00 140 100.00 100.00 1.79e-89
BMRB 18857 alpha_synuclein 100.00 140 99.29 99.29 2.03e-88
BMRB 18860 a-synuclein 100.00 140 99.29 99.29 2.03e-88
BMRB 19257 Alpha-synuclein 100.00 140 99.29 99.29 2.03e-88
BMRB 19337 aSyn 100.00 140 99.29 99.29 2.03e-88
BMRB 19338 aSyn_A53T 100.00 140 98.57 98.57 7.35e-88
BMRB 19344 aSyn_S87N 100.00 140 98.57 99.29 7.76e-88
BMRB 19345 aSyn_A53T&S87N 100.00 140 97.86 98.57 3.28e-87
BMRB 19350 acet_aSyn 100.00 140 99.29 99.29 2.03e-88
BMRB 19351 acet_aSyn_A53T 100.00 140 98.57 98.57 7.35e-88
BMRB 25227 aSyn-WT 100.00 140 99.29 99.29 2.03e-88
BMRB 25228 H50Q 100.00 140 98.57 98.57 3.14e-87
PDB 1XQ8 "Human Micelle-Bound Alpha-Synuclein" 100.00 140 99.29 99.29 2.03e-88
PDB 2KKW "Slas-Micelle Bound Alpha-Synuclein" 100.00 140 99.29 99.29 2.03e-88
DBJ BAF82858 "unnamed protein product [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88
DBJ BAG73790 "synuclein, alpha [synthetic construct]" 100.00 140 99.29 99.29 2.03e-88
EMBL CAG33339 "SNCA [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88
EMBL CAG46454 "SNCA [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88
GB AAA16117 "AD amyloid [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88
GB AAC02114 "NACP/alpha-synuclein [Homo sapiens]" 100.00 140 97.86 97.86 7.60e-87
GB AAG30302 "SNCA isoform NACP140 [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88
GB AAH13293 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88
GB AAI08276 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88
REF NP_000336 "alpha-synuclein isoform NACP140 [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88
REF NP_001009158 "alpha-synuclein [Pan troglodytes]" 100.00 140 99.29 99.29 2.03e-88
REF NP_001032222 "alpha-synuclein [Sus scrofa]" 100.00 140 97.14 97.14 2.50e-85
REF NP_001129014 "alpha-synuclein [Pongo abelii]" 100.00 140 98.57 98.57 2.78e-87
REF NP_001139526 "alpha-synuclein isoform NACP140 [Homo sapiens]" 100.00 140 99.29 99.29 2.03e-88
SP P37840 "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" 100.00 140 99.29 99.29 2.03e-88
SP P61139 "RecName: Full=Alpha-synuclein" 100.00 140 98.57 99.29 4.35e-88
SP P61140 "RecName: Full=Alpha-synuclein" 100.00 140 99.29 99.29 2.03e-88
SP P61142 "RecName: Full=Alpha-synuclein" 100.00 140 97.86 99.29 4.80e-88
SP P61143 "RecName: Full=Alpha-synuclein" 100.00 140 97.86 99.29 4.80e-88
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$alpha-synuclein . . . . . .
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
$alpha-synuclein 'recombinant technology' . Escherichia coli . Bl21
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solid
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$alpha-synuclein 64 % '[U-100% 13C; U-100% 15N]'
'Phosphate buffer' 50 mM 'natural abundance'
H2O 36 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_VNMRJ
_Saveframe_category software
_Name VNMRJ
_Version .
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model VNMRS
_Field_strength 500
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_NCACX_1
_Saveframe_category NMR_applied_experiment
_Experiment_name NCACX
_Sample_label $sample_1
save_
save_NCOCX_2
_Saveframe_category NMR_applied_experiment
_Experiment_name NCOCX
_Sample_label $sample_1
save_
save_CANCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name CANCO
_Sample_label $sample_1
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' 50 . mM
pH 7.4 . pH
pressure 1 . atm
temperature 273 . 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
adamantane C 13 'alkane carbons' ppm 40.48 external indirect . . . 9.865
adamantane N 15 'alkane carbons' ppm 40.48 external indirect . . . 3.977
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
NCACX
NCOCX
CANCO
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name alpha-synuclein
_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 41 41 GLY C C 169.6 0.03 1
2 41 41 GLY CA C 47.5 0.08 1
3 41 41 GLY N N 115.0 0.11 1
4 42 42 SER C C 171.3 0.17 1
5 42 42 SER CA C 58.5 0.14 1
6 42 42 SER CB C 67.4 0.11 1
7 42 42 SER N N 108.6 0.10 1
8 43 43 LYS C C 171.9 0.19 1
9 44 44 THR C C 175.4 0.14 1
10 44 44 THR CA C 58.3 0.13 1
11 44 44 THR CB C 71.8 0.14 1
12 44 44 THR CG2 C 22.6 0.15 1
13 44 44 THR N N 121.9 0.03 1
14 45 45 LYS C C 173.8 0.13 1
15 45 45 LYS CA C 55.9 0.13 1
16 45 45 LYS CG C 27.0 0.07 1
17 45 45 LYS N N 123.4 0.16 1
18 46 46 GLU C C 174.1 0.09 1
19 46 46 GLU CA C 53.8 0.14 1
20 46 46 GLU CB C 34.5 0.13 1
21 46 46 GLU CG C 34.5 0.12 1
22 46 46 GLU CD C 183.0 0.09 1
23 46 46 GLU N N 126.0 0.14 1
24 47 47 GLY C C 173.7 0.12 1
25 47 47 GLY CA C 49.2 0.12 1
26 47 47 GLY N N 113.1 0.13 1
27 48 48 VAL C C 174.3 0.13 1
28 48 48 VAL CA C 59.3 0.10 1
29 48 48 VAL CB C 37.9 0.08 1
30 48 48 VAL CG1 C 23.7 0.06 2
31 48 48 VAL CG2 C 20.6 0.11 2
32 48 48 VAL N N 117.4 0.12 1
33 49 49 VAL C C 175.1 0.04 1
34 49 49 VAL CA C 61.1 0.12 1
35 49 49 VAL CB C 34.1 0.09 1
36 49 49 VAL CG2 C 20.6 0.02 2
37 49 49 VAL N N 127.3 0.01 1
38 50 50 HIS N N 126.0 0.08 1
39 52 52 VAL C C 174.4 0.09 1
40 52 52 VAL CA C 61.3 0.18 1
41 52 52 VAL CB C 34.0 0.07 1
42 52 52 VAL CG1 C 21.2 0.03 2
43 52 52 VAL CG2 C 21.2 0.03 2
44 53 53 ALA C C 175.8 0.14 1
45 53 53 ALA CA C 49.6 0.10 1
46 53 53 ALA CB C 21.4 0.22 1
47 53 53 ALA N N 131.0 0.13 1
48 54 54 THR C C 173.0 0.11 1
49 54 54 THR CA C 61.6 0.12 1
50 54 54 THR CB C 71.3 0.14 1
51 54 54 THR CG2 C 21.1 0.15 1
52 54 54 THR N N 121.1 0.15 1
53 55 55 VAL C C 174.9 0.04 1
54 55 55 VAL CA C 61.3 0.03 1
55 55 55 VAL CB C 34.3 0.00 1
56 55 55 VAL CG1 C 22.5 0.00 2
57 55 55 VAL CG2 C 21.3 0.00 2
58 55 55 VAL N N 126.9 0.06 1
59 57 57 GLU C C 175.3 0.06 1
60 58 58 LYS C C 176.6 0.15 1
61 58 58 LYS CA C 54.0 0.15 1
62 59 59 THR C C 175.2 0.13 1
63 59 59 THR CA C 67.2 0.10 1
64 59 59 THR CB C 67.2 0.10 1
65 59 59 THR CG2 C 22.4 0.05 1
66 59 59 THR N N 121.9 0.09 1
67 62 62 GLN C C 176.0 0.03 1
68 63 63 VAL C C 175.2 0.06 1
69 63 63 VAL CA C 61.5 0.00 1
70 63 63 VAL CB C 34.7 0.11 1
71 63 63 VAL CG1 C 21.5 0.10 2
72 63 63 VAL CG2 C 20.6 0.04 2
73 63 63 VAL N N 121.9 0.04 1
74 64 64 THR C C 175.2 0.19 1
75 64 64 THR CA C 62.2 0.25 1
76 64 64 THR CB C 69.2 0.22 1
77 64 64 THR CG2 C 21.7 0.12 1
78 64 64 THR N N 126.8 0.20 1
79 65 65 ASN C C 172.6 0.11 1
80 65 65 ASN CA C 51.6 0.17 1
81 65 65 ASN CB C 42.9 0.21 1
82 65 65 ASN CG C 175.1 0.12 1
83 65 65 ASN N N 124.8 0.13 1
84 65 65 ASN ND2 N 115.7 0.10 1
85 66 66 VAL C C 178.0 0.03 1
86 66 66 VAL CA C 60.7 0.20 1
87 66 66 VAL CB C 35.5 0.10 1
88 66 66 VAL N N 126.9 0.09 1
89 67 67 GLY C C 172.5 0.14 1
90 67 67 GLY CA C 46.3 0.13 1
91 67 67 GLY N N 110.7 0.19 1
92 68 68 GLY C C 172.4 0.13 1
93 68 68 GLY CA C 43.0 0.18 1
94 68 68 GLY N N 103.2 0.22 1
95 69 69 ALA C C 175.7 0.11 1
96 69 69 ALA CA C 49.8 0.16 1
97 69 69 ALA CB C 23.1 0.12 1
98 69 69 ALA N N 127.1 0.11 1
99 70 70 VAL C C 174.6 0.14 1
100 70 70 VAL CA C 60.1 0.13 1
101 70 70 VAL CB C 35.8 0.12 1
102 70 70 VAL CG1 C 21.3 0.08 2
103 70 70 VAL CG2 C 21.3 0.08 2
104 70 70 VAL N N 121.2 0.19 1
105 71 71 VAL C C 176.6 0.15 1
106 71 71 VAL CA C 60.9 0.16 1
107 71 71 VAL CB C 35.4 0.13 1
108 71 71 VAL CG1 C 21.7 0.13 2
109 71 71 VAL CG2 C 20.8 0.06 2
110 71 71 VAL N N 126.5 0.13 1
111 72 72 THR C C 175.4 0.12 1
112 72 72 THR CA C 59.7 0.18 1
113 72 72 THR CB C 69.6 0.12 1
114 72 72 THR CG2 C 21.7 0.12 1
115 72 72 THR N N 114.7 0.20 1
116 73 73 GLY C C 173.7 0.08 1
117 73 73 GLY CA C 43.8 0.12 1
118 73 73 GLY N N 107.9 0.18 1
119 74 74 VAL C C 175.3 0.10 1
120 74 74 VAL CA C 61.0 0.12 1
121 74 74 VAL CB C 35.0 0.10 1
122 74 74 VAL CG1 C 21.1 0.09 2
123 74 74 VAL CG2 C 19.5 0.09 2
124 74 74 VAL N N 124.6 0.25 1
125 75 75 THR C C 172.3 0.13 1
126 75 75 THR CA C 61.4 0.20 1
127 75 75 THR CB C 70.3 0.15 1
128 75 75 THR CG2 C 21.3 0.14 1
129 75 75 THR N N 128.1 0.17 1
130 76 76 ALA C C 174.3 0.10 1
131 76 76 ALA CA C 49.6 0.12 1
132 76 76 ALA CB C 21.2 0.07 1
133 76 76 ALA N N 130.1 0.11 1
134 77 77 VAL C C 172.9 0.13 1
135 77 77 VAL CA C 60.6 0.12 1
136 77 77 VAL CB C 35.9 0.09 1
137 77 77 VAL CG1 C 21.2 0.11 2
138 77 77 VAL CG2 C 20.6 0.07 2
139 77 77 VAL N N 123.9 0.12 1
140 78 78 ALA C C 176.1 0.10 1
141 78 78 ALA CA C 49.8 0.14 1
142 78 78 ALA CB C 25.0 0.12 1
143 78 78 ALA N N 130.3 0.13 1
144 79 79 GLN C C 176.6 0.12 1
145 79 79 GLN CA C 52.3 0.15 1
146 79 79 GLN CB C 33.0 0.11 1
147 79 79 GLN CG C 33.0 0.08 1
148 79 79 GLN CD C 176.6 0.09 1
149 79 79 GLN N N 120.8 0.08 1
150 79 79 GLN NE2 N 111.9 0.05 1
151 80 80 LYS C C 175.8 0.13 1
152 80 80 LYS CA C 60.8 0.11 1
153 80 80 LYS CB C 33.0 0.18 1
154 80 80 LYS CG C 26.9 0.09 1
155 80 80 LYS CE C 42.2 0.07 1
156 80 80 LYS N N 123.0 0.12 1
157 81 81 THR C C 173.8 0.09 1
158 81 81 THR CA C 60.8 0.14 1
159 81 81 THR CB C 72.1 0.12 1
160 81 81 THR CG2 C 22.3 0.12 1
161 81 81 THR N N 113.2 0.19 1
162 82 82 VAL C C 174.8 0.14 1
163 82 82 VAL CA C 61.1 0.10 1
164 82 82 VAL CB C 34.3 0.08 1
165 82 82 VAL CG1 C 22.2 0.01 2
166 82 82 VAL CG2 C 21.2 0.13 2
167 82 82 VAL N N 126.3 0.18 1
168 83 83 GLU C C 175.2 0.11 1
169 83 83 GLU CA C 53.6 0.17 1
170 83 83 GLU CB C 33.9 0.03 1
171 83 83 GLU CG C 33.9 0.02 1
172 83 83 GLU N N 126.0 0.14 1
173 84 84 GLY C C 173.7 0.08 1
174 84 84 GLY CA C 44.76 0.15 1
175 84 84 GLY N N 113.1 0.24 1
176 85 85 ALA C C 179.7 0.18 1
177 85 85 ALA CA C 53.2 0.11 1
178 85 85 ALA CB C 18.2 0.10 1
179 85 85 ALA N N 130.2 0.22 1
180 86 86 GLY C C 173.5 0.15 1
181 86 86 GLY CA C 46.4 0.11 1
182 86 86 GLY N N 112.0 0.15 1
183 87 87 SER C C 173.5 0.12 1
184 87 87 SER CA C 58.7 0.12 1
185 87 87 SER CB C 64.5 0.12 1
186 87 87 SER N N 116.4 0.16 1
187 88 88 ILE C C 175.6 0.13 1
188 88 88 ILE CA C 60.0 0.14 1
189 88 88 ILE CB C 40.5 0.10 1
190 88 88 ILE CG1 C 27.4 0.10 1
191 88 88 ILE CG2 C 17.5 0.07 1
192 88 88 ILE CD1 C 13.6 0.10 1
193 88 88 ILE N N 121.7 0.17 1
194 89 89 ALA C C 176.9 0.12 1
195 89 89 ALA CA C 54.8 0.10 1
196 89 89 ALA CB C 18.8 0.08 1
197 89 89 ALA N N 129.2 0.12 1
198 90 90 ALA C C 174.8 0.11 1
199 90 90 ALA CA C 51.2 0.13 1
200 90 90 ALA CB C 21.1 0.08 1
201 90 90 ALA N N 123.5 0.23 1
202 91 91 ALA C C 175.6 0.07 1
203 91 91 ALA CA C 49.5 0.13 1
204 91 91 ALA CB C 23.0 0.08 1
205 91 91 ALA N N 127.9 0.15 1
206 92 92 THR C C 174.6 0.11 1
207 92 92 THR CA C 60.9 0.12 1
208 92 92 THR CB C 69.7 0.11 1
209 92 92 THR CG2 C 21.8 0.13 1
210 92 92 THR N N 125.5 0.19 1
211 93 93 GLY C C 170.0 0.11 1
212 93 93 GLY CA C 47.3 0.15 1
213 93 93 GLY N N 115.3 0.07 1
214 94 94 PHE C C 174.1 0.12 1
215 94 94 PHE CA C 54.3 0.12 1
216 94 94 PHE CB C 45.1 0.08 1
217 94 94 PHE N N 126.5 0.13 1
218 95 95 VAL C C 171.3 0.14 1
219 95 95 VAL CA C 61.0 0.18 1
220 95 95 VAL CB C 34.9 0.13 1
221 95 95 VAL CG1 C 22.2 0.21 2
222 95 95 VAL CG2 C 20.5 0.08 2
223 95 95 VAL N N 127.8 0.15 1
224 96 96 LYS C C 173.2 0.18 1
225 96 96 LYS CA C 54.7 0.18 1
226 96 96 LYS N N 133.0 0.17 1
227 97 97 LYS C C 175.2 0.03 1
228 97 97 LYS CA C 53.8 0.03 1
229 97 97 LYS N N 130.2 0.19 1
230 98 98 ASP CA C 55.0 0.03 1
231 98 98 ASP N N 124.3 0.19 1
stop_
save_