data_16335
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of protein YlbL (BSU15050) from Bacillus subtilis, Northeast Structural Genomics Consortium target sr713a
;
_BMRB_accession_number 16335
_BMRB_flat_file_name bmr16335.str
_Entry_type original
_Submission_date 2009-06-05
_Accession_date 2009-06-05
_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 Liu Yizhou . .
2 Belote Rachel . .
3 Ciccosanti Colleen . .
4 Hamilton Keith . .
5 Nair R. . .
6 Rost B. . .
7 Acton T. . .
8 Xiao R. . .
9 Swapna G. . .
10 Everett J. . .
11 Montelione G. . .
12 Prestegard James . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 414
"13C chemical shifts" 306
"15N chemical shifts" 73
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2012-08-03 original author .
stop_
_Original_release_date 2012-08-03
save_
#############################
# Citation for this entry #
#############################
save_citations_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Resonance assignment protein YLBL(BSU15050), Northeast Structural Genomics Consortium Target sr713a'
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Liu Yizhou . .
2 Belote Rachel . .
3 Ciccosanti Colleen . .
4 Hamilton Keith . .
5 Nair R. . .
6 Rost B. . .
7 Acton T. . .
8 Xiao R. . .
9 Swapna G. . .
10 Everett J. . .
11 Montelione G. . .
12 Prestegard James . .
stop_
_Journal_abbreviation 'Not known'
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name BSU15050
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
BSU15050 $entity
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common BSU15050
_Molecular_mass 20921.646
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 91
_Mol_residue_sequence
;
NGIYASSVVENMPAKGKIEV
GDKIISADGKNYQSAEKLID
YISSKKAGDKVTLKIEREEK
EKRVTLTLKQFPDEPDRAGI
GVSLEHHHHHH
;
loop_
_Residue_seq_code
_Residue_label
1 ASN 2 GLY 3 ILE 4 TYR 5 ALA
6 SER 7 SER 8 VAL 9 VAL 10 GLU
11 ASN 12 MET 13 PRO 14 ALA 15 LYS
16 GLY 17 LYS 18 ILE 19 GLU 20 VAL
21 GLY 22 ASP 23 LYS 24 ILE 25 ILE
26 SER 27 ALA 28 ASP 29 GLY 30 LYS
31 ASN 32 TYR 33 GLN 34 SER 35 ALA
36 GLU 37 LYS 38 LEU 39 ILE 40 ASP
41 TYR 42 ILE 43 SER 44 SER 45 LYS
46 LYS 47 ALA 48 GLY 49 ASP 50 LYS
51 VAL 52 THR 53 LEU 54 LYS 55 ILE
56 GLU 57 ARG 58 GLU 59 GLU 60 LYS
61 GLU 62 LYS 63 ARG 64 VAL 65 THR
66 LEU 67 THR 68 LEU 69 LYS 70 GLN
71 PHE 72 PRO 73 ASP 74 GLU 75 PRO
76 ASP 77 ARG 78 ALA 79 GLY 80 ILE
81 GLY 82 VAL 83 SER 84 LEU 85 GLU
86 HIS 87 HIS 88 HIS 89 HIS 90 HIS
91 HIS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 2KJP "Solution Structure Of Protein Ylbl (Bsu15050) From Bacillus Subtilis, Northeast Structural Genomics Consortium Target Sr713a" 100.00 91 100.00 100.00 1.24e-57
DBJ BAI85130 "hypothetical protein BSNT_08013 [Bacillus subtilis subsp. natto BEST195]" 92.31 332 100.00 100.00 1.19e-48
DBJ BAM52152 "degradative enzyme [Synechocystis sp. PCC 6803]" 92.31 341 100.00 100.00 1.62e-48
DBJ BAM57728 "degradative enzyme [Bacillus subtilis BEST7003]" 92.31 341 100.00 100.00 1.62e-48
DBJ GAK80480 "putative degradative enzyme [Bacillus subtilis Miyagi-4]" 92.31 341 100.00 100.00 1.62e-48
EMBL CAB11358 "YlbL protein [Bacillus subtilis subsp. subtilis str. 168]" 92.31 350 100.00 100.00 1.99e-48
EMBL CAB13378 "putative degradative enzyme [Bacillus subtilis subsp. subtilis str. 168]" 92.31 341 100.00 100.00 1.62e-48
EMBL CCU58075 "Lon-like protease with PDZ domain [Bacillus subtilis E1]" 92.31 341 98.81 98.81 1.14e-47
EMBL CEI56686 "Lon protease 1 [Bacillus subtilis]" 92.31 341 100.00 100.00 1.62e-48
EMBL CEJ77092 "Lon protease 1 [Bacillus sp.]" 92.31 341 100.00 100.00 1.62e-48
GB ADM37598 "putative degradative enzyme [Bacillus subtilis subsp. spizizenii str. W23]" 92.31 341 98.81 98.81 1.52e-47
GB ADV96527 "putative degradative enzyme [Bacillus subtilis BSn5]" 92.31 341 100.00 100.00 1.62e-48
GB AEP86489 "YlbL [Bacillus subtilis subsp. spizizenii TU-B-10]" 92.31 341 97.62 97.62 8.26e-47
GB AEP90657 "YlbL [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 92.31 341 100.00 100.00 1.79e-48
GB AFQ57441 "Putative degradative enzyme [Bacillus subtilis QB928]" 92.31 341 100.00 100.00 1.62e-48
REF NP_389388 "hypothetical protein BSU15050 [Bacillus subtilis subsp. subtilis str. 168]" 92.31 341 100.00 100.00 1.62e-48
REF WP_003221384 "MULTISPECIES: hypothetical protein [Bacillus]" 92.31 341 98.81 98.81 1.52e-47
REF WP_003245451 "MULTISPECIES: hypothetical protein [Bacillus]" 92.31 341 100.00 100.00 1.62e-48
REF WP_009967176 "hypothetical protein [Bacillus subtilis]" 92.31 350 100.00 100.00 1.99e-48
REF WP_010328046 "hypothetical protein [Bacillus vallismortis]" 92.31 341 97.62 97.62 8.62e-47
SP O34470 "RecName: Full=Uncharacterized protein YlbL" 92.31 341 100.00 100.00 1.62e-48
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$entity 'recombinant technology' . Escherichia coli . 'pet 21-23C'
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 0.5 mM '[U-99% 13C; U-99% 15N]'
MES 20 mM 'natural abundance'
'sodium chloride' 200 mM 'natural abundance'
'calcium chloride' 5 mM 'natural abundance'
DTT 100 mM 'natural abundance'
'sodium azide' 3 mM 'natural abundance'
H2O 95 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 0.5 mM '[U-99% 13C; U-99% 15N]'
MES 20 mM 'natural abundance'
'sodium chloride' 200 mM 'natural abundance'
'calcium chloride' 5 mM 'natural abundance'
DTT 5 mM 'natural abundance'
'sodium azide' 3 mM 'natural abundance'
D2O 100 % 'natural abundance'
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 0.5 mM '[U-99% 15N]'
MES 20 mM 'natural abundance'
'sodium chloride' 200 mM 'natural abundance'
'calcium chloride' 5 mM 'natural abundance'
DTT 100 mM 'natural abundance'
'sodium azide' 3 mM 'natural abundance'
H2O 95 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Saveframe_category software
_Name VNMR
_Version .
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_X-PLOR_NIH
_Saveframe_category software
_Name 'X-PLOR NIH'
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Schwieters, Kuszewski, Tjandra and Clore' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_H(CCO)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $sample_1
save_
save_3D_C(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_2
save_
save_TROSY-HSQC_11
_Saveframe_category NMR_applied_experiment
_Experiment_name TROSY-HSQC
_Sample_label $sample_3
save_
save_TROSY-HSQC_12
_Saveframe_category NMR_applied_experiment
_Experiment_name TROSY-HSQC
_Sample_label $sample_3
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' 0.3 . 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 external indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0 external direct . . . 1
DSS N 15 'methyl protons' ppm 0 external 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
'3D CBCA(CO)NH'
'3D HNCO'
'3D H(CCO)NH'
'3D C(CO)NH'
'3D HCCH-TOCSY'
'3D 1H-13C NOESY'
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 BSU15050
_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 ILE HA H 4.504 0.003 1
2 3 3 ILE HB H 1.742 0.008 1
3 3 3 ILE HD1 H 0.654 0.001 2
4 3 3 ILE HG12 H 1.484 0.014 2
5 3 3 ILE HG13 H 1.484 0.014 2
6 3 3 ILE HG2 H 0.516 0.006 2
7 3 3 ILE CA C 59.998 0.037 1
8 3 3 ILE CD1 C 14.098 0.066 1
9 3 3 ILE CG2 C 15.706 0.050 1
10 4 4 TYR HA H 5.468 0.016 1
11 4 4 TYR HB2 H 2.465 0.026 2
12 4 4 TYR HB3 H 2.465 0.026 2
13 4 4 TYR HD1 H 6.596 0.005 3
14 4 4 TYR HD2 H 6.596 0.005 3
15 4 4 TYR HE1 H 6.473 0.003 3
16 4 4 TYR HE2 H 6.473 0.003 3
17 4 4 TYR C C 175.217 0.000 1
18 4 4 TYR CA C 55.557 0.038 1
19 4 4 TYR CB C 42.803 0.086 1
20 4 4 TYR CD1 C 133.520 0.032 3
21 4 4 TYR CE1 C 116.967 0.009 3
22 5 5 ALA H H 8.346 0.006 1
23 5 5 ALA HA H 5.059 0.018 1
24 5 5 ALA HB H 1.220 0.008 2
25 5 5 ALA C C 178.046 0.000 1
26 5 5 ALA CA C 50.850 0.063 1
27 5 5 ALA CB C 19.091 0.050 1
28 5 5 ALA N N 120.574 0.048 1
29 6 6 SER H H 9.418 0.007 1
30 6 6 SER HA H 4.729 0.013 1
31 6 6 SER HB2 H 3.759 0.019 2
32 6 6 SER HB3 H 3.890 0.008 2
33 6 6 SER C C 174.434 0.000 1
34 6 6 SER CA C 58.257 0.118 1
35 6 6 SER CB C 64.521 0.121 1
36 6 6 SER N N 119.626 0.060 1
37 7 7 SER H H 7.472 0.002 1
38 7 7 SER HA H 4.490 0.007 1
39 7 7 SER HB2 H 3.784 0.013 2
40 7 7 SER HB3 H 3.784 0.013 2
41 7 7 SER C C 171.907 0.000 1
42 7 7 SER CA C 58.535 0.049 1
43 7 7 SER CB C 64.127 0.033 1
44 7 7 SER N N 114.027 0.057 1
45 8 8 VAL H H 8.483 0.007 1
46 8 8 VAL HA H 4.675 0.015 1
47 8 8 VAL HB H 1.896 0.014 1
48 8 8 VAL HG1 H 0.765 0.009 2
49 8 8 VAL HG2 H 0.795 0.011 2
50 8 8 VAL C C 175.371 0.000 1
51 8 8 VAL CA C 61.486 0.051 1
52 8 8 VAL CB C 34.894 0.061 1
53 8 8 VAL CG1 C 20.076 0.076 2
54 8 8 VAL CG2 C 21.468 0.041 2
55 8 8 VAL N N 122.369 0.024 1
56 9 9 VAL H H 8.150 0.004 1
57 9 9 VAL HA H 3.949 0.005 1
58 9 9 VAL HB H 1.751 0.005 1
59 9 9 VAL HG1 H 1.013 0.016 2
60 9 9 VAL HG2 H 0.847 0.011 2
61 9 9 VAL C C 176.080 0.000 1
62 9 9 VAL CA C 62.717 0.073 1
63 9 9 VAL CB C 32.966 0.052 1
64 9 9 VAL N N 127.144 0.033 1
65 10 10 GLU H H 8.584 0.005 1
66 10 10 GLU HA H 3.908 0.010 1
67 10 10 GLU HB2 H 1.996 0.006 2
68 10 10 GLU HB3 H 1.996 0.006 2
69 10 10 GLU HG2 H 2.331 0.009 2
70 10 10 GLU HG3 H 2.331 0.009 2
71 10 10 GLU C C 176.359 0.000 1
72 10 10 GLU CA C 58.087 0.043 1
73 10 10 GLU CB C 29.799 0.211 1
74 10 10 GLU CG C 36.111 0.073 1
75 10 10 GLU N N 125.041 0.025 1
76 11 11 ASN H H 8.492 0.005 1
77 11 11 ASN HA H 4.495 0.007 1
78 11 11 ASN HB2 H 2.939 0.012 2
79 11 11 ASN HB3 H 2.939 0.012 2
80 11 11 ASN HD21 H 6.831 0.005 2
81 11 11 ASN HD22 H 7.575 0.010 2
82 11 11 ASN C C 173.887 0.000 1
83 11 11 ASN CA C 53.677 0.034 1
84 11 11 ASN CB C 37.301 0.050 1
85 11 11 ASN N N 114.026 0.050 1
86 11 11 ASN ND2 N 112.406 0.005 1
87 12 12 MET H H 7.162 0.005 1
88 12 12 MET HA H 5.167 0.004 1
89 12 12 MET HB2 H 1.831 0.010 2
90 12 12 MET HB3 H 1.831 0.010 2
91 12 12 MET CA C 52.703 0.036 1
92 12 12 MET CB C 32.817 0.154 1
93 12 12 MET N N 116.803 0.030 1
94 13 13 PRO HA H 4.286 0.010 1
95 13 13 PRO HB2 H 1.746 0.006 2
96 13 13 PRO HB3 H 2.670 0.003 2
97 13 13 PRO HD2 H 3.392 0.010 2
98 13 13 PRO HD3 H 3.805 0.013 2
99 13 13 PRO HG2 H 1.790 0.014 2
100 13 13 PRO HG3 H 1.790 0.014 2
101 13 13 PRO C C 176.153 0.000 1
102 13 13 PRO CA C 65.451 0.104 1
103 13 13 PRO CB C 33.753 0.049 1
104 13 13 PRO CD C 51.017 0.039 1
105 14 14 ALA H H 8.059 0.008 1
106 14 14 ALA HA H 3.981 0.013 1
107 14 14 ALA HB H 1.194 0.004 2
108 14 14 ALA C C 177.591 0.000 1
109 14 14 ALA CA C 53.511 0.042 1
110 14 14 ALA CB C 19.785 0.053 1
111 14 14 ALA N N 114.729 0.053 1
112 15 15 LYS H H 7.585 0.006 1
113 15 15 LYS HA H 4.033 0.009 1
114 15 15 LYS HB2 H 2.072 0.008 2
115 15 15 LYS HB3 H 1.951 0.014 2
116 15 15 LYS HD2 H 1.768 0.000 2
117 15 15 LYS HD3 H 1.768 0.000 2
118 15 15 LYS HE2 H 2.978 0.000 2
119 15 15 LYS HE3 H 2.978 0.000 2
120 15 15 LYS HG2 H 1.377 0.005 2
121 15 15 LYS HG3 H 1.377 0.005 2
122 15 15 LYS C C 177.274 0.000 1
123 15 15 LYS CA C 57.835 0.028 1
124 15 15 LYS CB C 30.515 0.045 1
125 15 15 LYS CD C 28.472 0.010 1
126 15 15 LYS CG C 24.049 0.000 1
127 15 15 LYS N N 121.778 0.016 1
128 16 16 GLY H H 9.685 0.009 1
129 16 16 GLY HA2 H 3.737 0.007 2
130 16 16 GLY HA3 H 4.344 0.010 2
131 16 16 GLY C C 173.925 0.000 1
132 16 16 GLY CA C 45.283 0.031 1
133 16 16 GLY N N 118.279 0.016 1
134 17 17 LYS H H 8.330 0.009 1
135 17 17 LYS HA H 4.525 0.009 1
136 17 17 LYS HB2 H 1.676 0.009 2
137 17 17 LYS HB3 H 1.676 0.009 2
138 17 17 LYS HD2 H 2.144 0.010 2
139 17 17 LYS HD3 H 2.434 0.008 2
140 17 17 LYS HE2 H 2.664 0.003 2
141 17 17 LYS HE3 H 2.664 0.003 2
142 17 17 LYS HG2 H 1.372 0.000 2
143 17 17 LYS HG3 H 1.372 0.000 2
144 17 17 LYS C C 175.290 0.000 1
145 17 17 LYS CA C 57.016 0.042 1
146 17 17 LYS CB C 35.544 0.055 1
147 17 17 LYS CD C 28.824 0.047 1
148 17 17 LYS CG C 24.974 0.000 1
149 17 17 LYS N N 119.741 0.047 1
150 18 18 ILE H H 8.266 0.011 1
151 18 18 ILE HA H 4.205 0.009 1
152 18 18 ILE HB H 1.606 0.005 1
153 18 18 ILE HD1 H 0.704 0.004 2
154 18 18 ILE HG12 H 1.221 0.010 2
155 18 18 ILE HG13 H 1.282 0.013 2
156 18 18 ILE HG2 H 0.806 0.012 2
157 18 18 ILE C C 173.354 0.000 1
158 18 18 ILE CA C 58.320 0.053 1
159 18 18 ILE CB C 39.176 0.050 1
160 18 18 ILE CD1 C 12.045 0.039 1
161 18 18 ILE CG1 C 27.685 0.054 1
162 18 18 ILE CG2 C 16.913 0.175 1
163 18 18 ILE N N 119.872 0.044 1
164 19 19 GLU H H 9.005 0.004 1
165 19 19 GLU HA H 4.572 0.006 1
166 19 19 GLU HB2 H 1.702 0.010 2
167 19 19 GLU HB3 H 2.001 0.020 2
168 19 19 GLU HG2 H 2.088 0.008 2
169 19 19 GLU HG3 H 2.168 0.009 2
170 19 19 GLU C C 175.997 0.000 1
171 19 19 GLU CA C 53.379 0.030 1
172 19 19 GLU CB C 32.197 0.061 1
173 19 19 GLU CG C 35.389 0.056 1
174 19 19 GLU N N 126.354 0.036 1
175 20 20 VAL H H 8.731 0.007 1
176 20 20 VAL HA H 3.222 0.007 1
177 20 20 VAL HB H 1.930 0.005 1
178 20 20 VAL HG1 H 0.961 0.006 2
179 20 20 VAL HG2 H 0.993 0.007 2
180 20 20 VAL C C 178.271 0.000 1
181 20 20 VAL CA C 65.837 0.045 1
182 20 20 VAL CB C 31.208 0.049 1
183 20 20 VAL CG1 C 21.255 0.098 2
184 20 20 VAL CG2 C 23.043 0.050 2
185 20 20 VAL N N 121.188 0.029 1
186 21 21 GLY H H 9.255 0.009 1
187 21 21 GLY HA2 H 3.803 0.013 2
188 21 21 GLY HA3 H 4.604 0.006 2
189 21 21 GLY C C 174.845 0.000 1
190 21 21 GLY CA C 44.725 0.030 1
191 21 21 GLY N N 116.966 0.011 1
192 22 22 ASP H H 8.323 0.006 1
193 22 22 ASP HA H 4.619 0.007 1
194 22 22 ASP HB2 H 2.311 0.008 2
195 22 22 ASP HB3 H 2.695 0.013 2
196 22 22 ASP C C 174.612 0.000 1
197 22 22 ASP CA C 55.973 0.145 1
198 22 22 ASP CB C 41.336 0.148 1
199 22 22 ASP N N 123.175 0.029 1
200 23 23 LYS H H 8.243 0.010 1
201 23 23 LYS HA H 4.658 0.014 1
202 23 23 LYS HB3 H 1.777 0.000 2
203 23 23 LYS C C 176.420 0.000 1
204 23 23 LYS CA C 53.931 0.109 1
205 23 23 LYS CB C 35.556 0.085 1
206 23 23 LYS CD C 29.890 0.000 1
207 23 23 LYS CG C 24.749 0.000 1
208 23 23 LYS N N 122.047 0.039 1
209 24 24 ILE H H 8.904 0.005 1
210 24 24 ILE HA H 4.244 0.012 1
211 24 24 ILE HB H 1.647 0.007 1
212 24 24 ILE HD1 H 0.579 0.007 2
213 24 24 ILE HG12 H 1.163 0.011 2
214 24 24 ILE HG13 H 1.163 0.011 2
215 24 24 ILE HG2 H 0.699 0.006 2
216 24 24 ILE C C 174.935 0.000 1
217 24 24 ILE CA C 60.303 0.043 1
218 24 24 ILE CB C 36.683 0.089 1
219 24 24 ILE CD1 C 12.006 0.026 1
220 24 24 ILE CG1 C 28.632 0.129 1
221 24 24 ILE CG2 C 19.079 0.090 1
222 24 24 ILE N N 126.969 0.028 1
223 25 25 ILE H H 9.058 0.006 1
224 25 25 ILE HA H 3.986 0.021 1
225 25 25 ILE HB H 1.600 0.015 1
226 25 25 ILE HD1 H 0.713 0.029 2
227 25 25 ILE HG12 H 1.084 0.017 2
228 25 25 ILE HG13 H 1.373 0.010 2
229 25 25 ILE HG2 H 0.851 0.006 2
230 25 25 ILE C C 176.484 0.000 1
231 25 25 ILE CA C 62.549 0.129 1
232 25 25 ILE CB C 38.847 0.160 1
233 25 25 ILE CD1 C 12.250 0.351 1
234 25 25 ILE CG1 C 27.566 0.131 1
235 25 25 ILE CG2 C 17.495 0.079 1
236 25 25 ILE N N 127.431 0.053 1
237 26 26 SER H H 7.698 0.009 1
238 26 26 SER HA H 5.189 0.012 1
239 26 26 SER HB2 H 3.405 0.008 2
240 26 26 SER HB3 H 3.748 0.011 2
241 26 26 SER C C 172.501 0.000 1
242 26 26 SER CA C 56.613 0.082 1
243 26 26 SER CB C 66.135 0.058 1
244 26 26 SER N N 109.669 0.050 1
245 27 27 ALA H H 8.714 0.003 1
246 27 27 ALA HA H 5.285 0.007 1
247 27 27 ALA HB H 1.108 0.009 2
248 27 27 ALA C C 176.493 0.000 1
249 27 27 ALA CA C 50.746 0.050 1
250 27 27 ALA CB C 22.168 0.054 1
251 27 27 ALA N N 120.303 0.047 1
252 28 28 ASP H H 10.042 0.007 1
253 28 28 ASP HA H 4.508 0.006 1
254 28 28 ASP HB2 H 2.714 0.006 2
255 28 28 ASP HB3 H 3.103 0.017 2
256 28 28 ASP C C 175.538 0.000 1
257 28 28 ASP CA C 55.591 0.049 1
258 28 28 ASP CB C 39.435 0.062 1
259 28 28 ASP N N 125.411 0.031 1
260 29 29 GLY H H 8.642 0.008 1
261 29 29 GLY HA2 H 3.569 0.011 2
262 29 29 GLY HA3 H 4.133 0.005 2
263 29 29 GLY C C 173.570 0.000 1
264 29 29 GLY CA C 45.360 0.051 1
265 29 29 GLY N N 102.539 0.048 1
266 30 30 LYS H H 7.741 0.008 1
267 30 30 LYS HA H 4.446 0.005 1
268 30 30 LYS HB2 H 1.524 0.007 2
269 30 30 LYS HB3 H 1.560 0.010 2
270 30 30 LYS HE2 H 2.731 0.000 2
271 30 30 LYS HE3 H 2.731 0.000 2
272 30 30 LYS HG2 H 0.891 0.007 2
273 30 30 LYS HG3 H 1.142 0.002 2
274 30 30 LYS CA C 54.703 0.123 1
275 30 30 LYS CB C 34.348 0.030 1
276 30 30 LYS CG C 24.663 0.031 1
277 30 30 LYS N N 121.777 0.024 1
278 31 31 ASN HA H 4.835 0.006 1
279 31 31 ASN HB2 H 2.625 0.012 2
280 31 31 ASN HB3 H 2.625 0.012 2
281 31 31 ASN HD21 H 6.787 0.000 2
282 31 31 ASN HD22 H 7.484 0.001 2
283 31 31 ASN C C 174.607 0.000 1
284 31 31 ASN CA C 53.056 0.107 1
285 31 31 ASN CB C 39.022 0.037 1
286 31 31 ASN ND2 N 111.444 0.031 1
287 32 32 TYR H H 7.900 0.003 1
288 32 32 TYR HA H 4.488 0.003 1
289 32 32 TYR HB2 H 2.395 0.004 2
290 32 32 TYR HB3 H 2.723 0.019 2
291 32 32 TYR HD1 H 6.974 0.004 3
292 32 32 TYR HD2 H 6.974 0.004 3
293 32 32 TYR HE1 H 6.551 0.006 3
294 32 32 TYR HE2 H 6.551 0.006 3
295 32 32 TYR CA C 58.447 0.031 1
296 32 32 TYR CB C 42.430 0.041 1
297 32 32 TYR CD1 C 133.152 0.027 3
298 32 32 TYR CE1 C 117.493 0.016 3
299 32 32 TYR N N 120.116 0.042 1
300 34 34 SER HA H 4.776 0.006 1
301 34 34 SER HB2 H 3.900 0.006 2
302 34 34 SER HB3 H 4.099 0.006 2
303 34 34 SER C C 174.586 0.000 1
304 34 34 SER CA C 55.632 0.048 1
305 34 34 SER CB C 64.905 0.101 1
306 35 35 ALA H H 8.928 0.006 1
307 35 35 ALA HA H 3.706 0.009 1
308 35 35 ALA HB H 1.284 0.013 2
309 35 35 ALA C C 178.124 0.000 1
310 35 35 ALA CA C 55.445 0.081 1
311 35 35 ALA CB C 18.515 0.053 1
312 35 35 ALA N N 129.133 0.030 1
313 36 36 GLU H H 8.868 0.005 1
314 36 36 GLU HA H 3.849 0.017 1
315 36 36 GLU HB2 H 1.986 0.008 2
316 36 36 GLU HB3 H 1.986 0.008 2
317 36 36 GLU HG2 H 2.154 0.017 2
318 36 36 GLU HG3 H 2.327 0.014 2
319 36 36 GLU C C 178.703 0.000 1
320 36 36 GLU CA C 60.507 0.113 1
321 36 36 GLU CB C 28.879 0.047 1
322 36 36 GLU CG C 37.354 0.073 1
323 36 36 GLU N N 116.594 0.048 1
324 37 37 LYS H H 7.430 0.006 1
325 37 37 LYS HA H 4.221 0.008 1
326 37 37 LYS HB2 H 2.094 0.013 2
327 37 37 LYS HB3 H 2.192 0.008 2
328 37 37 LYS HD2 H 1.835 0.008 2
329 37 37 LYS HD3 H 1.835 0.008 2
330 37 37 LYS HE2 H 3.042 0.005 2
331 37 37 LYS HE3 H 3.042 0.005 2
332 37 37 LYS HG2 H 1.584 0.006 2
333 37 37 LYS HG3 H 1.735 0.009 2
334 37 37 LYS C C 179.335 0.000 1
335 37 37 LYS CA C 58.256 0.039 1
336 37 37 LYS CB C 32.330 0.060 1
337 37 37 LYS CD C 28.545 0.131 1
338 37 37 LYS CG C 25.375 0.129 1
339 37 37 LYS N N 117.651 0.023 1
340 38 38 LEU H H 7.460 0.010 1
341 38 38 LEU HA H 3.428 0.010 1
342 38 38 LEU HB2 H 0.903 0.007 2
343 38 38 LEU HB3 H 1.731 0.009 2
344 38 38 LEU HD1 H 0.647 0.009 2
345 38 38 LEU HD2 H 0.407 0.006 2
346 38 38 LEU HG H 1.183 0.007 1
347 38 38 LEU C C 178.033 0.000 1
348 38 38 LEU CA C 57.826 0.058 1
349 38 38 LEU CB C 40.701 0.045 1
350 38 38 LEU CD1 C 27.193 0.058 2
351 38 38 LEU CD2 C 23.553 0.056 2
352 38 38 LEU CG C 27.069 0.111 1
353 38 38 LEU N N 122.740 0.014 1
354 39 39 ILE H H 8.698 0.006 1
355 39 39 ILE C C 179.082 0.000 1
356 39 39 ILE CA C 64.530 0.340 1
357 39 39 ILE CB C 37.070 0.062 1
358 39 39 ILE N N 121.141 0.039 1
359 40 40 ASP H H 8.075 0.008 1
360 40 40 ASP HA H 4.321 0.018 1
361 40 40 ASP HB2 H 2.683 0.009 2
362 40 40 ASP HB3 H 2.822 0.009 2
363 40 40 ASP C C 178.347 0.000 1
364 40 40 ASP CA C 57.604 0.118 1
365 40 40 ASP CB C 40.589 0.052 1
366 40 40 ASP N N 121.678 0.033 1
367 41 41 TYR H H 7.594 0.006 1
368 41 41 TYR HA H 4.347 0.006 1
369 41 41 TYR HB2 H 3.017 0.014 2
370 41 41 TYR HB3 H 3.248 0.011 2
371 41 41 TYR HD1 H 6.896 0.039 3
372 41 41 TYR HD2 H 6.896 0.039 3
373 41 41 TYR HE1 H 6.621 0.050 3
374 41 41 TYR HE2 H 6.621 0.050 3
375 41 41 TYR C C 179.206 0.000 1
376 41 41 TYR CA C 61.483 0.052 1
377 41 41 TYR CB C 38.165 0.056 1
378 41 41 TYR CD1 C 132.812 0.020 3
379 41 41 TYR CE1 C 117.270 0.017 3
380 41 41 TYR N N 120.220 0.020 1
381 42 42 ILE H H 8.530 0.012 1
382 42 42 ILE HA H 3.079 0.011 1
383 42 42 ILE HB H 1.916 0.033 1
384 42 42 ILE HD1 H 0.700 0.009 2
385 42 42 ILE HG12 H 0.931 0.010 2
386 42 42 ILE HG13 H 1.793 0.009 2
387 42 42 ILE HG2 H 0.937 0.007 2
388 42 42 ILE C C 177.268 0.000 1
389 42 42 ILE CA C 66.047 0.038 1
390 42 42 ILE CB C 37.553 0.146 1
391 42 42 ILE CD1 C 12.404 0.062 1
392 42 42 ILE CG1 C 29.451 0.104 1
393 42 42 ILE CG2 C 18.003 0.064 1
394 42 42 ILE N N 121.431 0.026 1
395 43 43 SER H H 8.484 0.008 1
396 43 43 SER HA H 4.464 0.011 1
397 43 43 SER HB2 H 4.084 0.006 2
398 43 43 SER HB3 H 4.084 0.006 2
399 43 43 SER C C 174.017 0.000 1
400 43 43 SER CA C 60.572 0.063 1
401 43 43 SER CB C 63.516 0.098 1
402 43 43 SER N N 111.649 0.012 1
403 44 44 SER H H 7.514 0.004 1
404 44 44 SER HA H 4.442 0.007 1
405 44 44 SER HB2 H 3.998 0.022 2
406 44 44 SER HB3 H 3.998 0.022 2
407 44 44 SER C C 174.358 0.000 1
408 44 44 SER CA C 59.366 0.069 1
409 44 44 SER CB C 63.861 0.090 1
410 44 44 SER N N 116.219 0.017 1
411 45 45 LYS H H 7.331 0.012 1
412 45 45 LYS HA H 4.310 0.006 1
413 45 45 LYS HB2 H 1.956 0.008 2
414 45 45 LYS HB3 H 1.956 0.008 2
415 45 45 LYS HG2 H 1.057 0.013 2
416 45 45 LYS HG3 H 1.233 0.017 2
417 45 45 LYS C C 174.054 0.000 1
418 45 45 LYS CA C 54.917 0.049 1
419 45 45 LYS CB C 33.354 0.043 1
420 45 45 LYS CG C 25.237 0.043 1
421 45 45 LYS N N 123.605 0.019 1
422 46 46 LYS H H 8.733 0.008 1
423 46 46 LYS HA H 4.488 0.015 1
424 46 46 LYS HB2 H 1.649 0.016 2
425 46 46 LYS HB3 H 1.738 0.012 2
426 46 46 LYS HE2 H 2.982 0.006 2
427 46 46 LYS HE3 H 2.982 0.006 2
428 46 46 LYS HG2 H 1.369 0.007 2
429 46 46 LYS HG3 H 1.682 0.004 2
430 46 46 LYS C C 175.988 0.000 1
431 46 46 LYS CA C 53.637 0.056 1
432 46 46 LYS CB C 35.214 0.061 1
433 46 46 LYS CD C 28.815 0.000 1
434 46 46 LYS CE C 42.343 0.000 1
435 46 46 LYS CG C 24.246 0.106 1
436 46 46 LYS N N 118.118 0.034 1
437 47 47 ALA H H 8.494 0.004 1
438 47 47 ALA HA H 3.431 0.007 1
439 47 47 ALA HB H 1.261 0.008 2
440 47 47 ALA C C 178.233 0.000 1
441 47 47 ALA CA C 53.804 0.029 1
442 47 47 ALA CB C 17.591 0.085 1
443 47 47 ALA N N 121.218 0.021 1
444 48 48 GLY H H 8.312 0.007 1
445 48 48 GLY HA2 H 3.402 0.008 2
446 48 48 GLY HA3 H 4.447 0.007 2
447 48 48 GLY C C 174.611 0.000 1
448 48 48 GLY CA C 45.176 0.047 1
449 48 48 GLY N N 111.610 0.029 1
450 49 49 ASP H H 8.170 0.006 1
451 49 49 ASP HA H 4.693 0.007 1
452 49 49 ASP HB2 H 2.640 0.006 2
453 49 49 ASP HB3 H 3.064 0.008 2
454 49 49 ASP C C 174.447 0.000 1
455 49 49 ASP CA C 54.590 0.057 1
456 49 49 ASP CB C 41.570 0.039 1
457 49 49 ASP N N 121.749 0.054 1
458 50 50 LYS H H 8.475 0.004 1
459 50 50 LYS HA H 5.413 0.008 1
460 50 50 LYS HB2 H 1.530 0.010 2
461 50 50 LYS HB3 H 1.530 0.010 2
462 50 50 LYS HD2 H 1.523 0.003 2
463 50 50 LYS HD3 H 1.523 0.003 2
464 50 50 LYS HE2 H 2.908 0.011 2
465 50 50 LYS HE3 H 2.908 0.011 2
466 50 50 LYS HG2 H 1.387 0.005 2
467 50 50 LYS HG3 H 1.387 0.005 2
468 50 50 LYS C C 176.585 0.000 1
469 50 50 LYS CA C 54.832 0.049 1
470 50 50 LYS CB C 35.459 0.064 1
471 50 50 LYS CD C 29.361 0.078 1
472 50 50 LYS CG C 25.153 0.111 1
473 50 50 LYS N N 118.095 0.055 1
474 51 51 VAL H H 8.859 0.002 1
475 51 51 VAL HA H 4.945 0.011 1
476 51 51 VAL HB H 1.750 0.011 1
477 51 51 VAL HG1 H 0.871 0.013 2
478 51 51 VAL HG2 H 0.920 0.008 2
479 51 51 VAL C C 173.557 0.000 1
480 51 51 VAL CA C 59.846 0.058 1
481 51 51 VAL CB C 35.974 0.081 1
482 51 51 VAL CG1 C 20.674 0.167 2
483 51 51 VAL CG2 C 21.096 0.073 2
484 51 51 VAL N N 118.538 0.016 1
485 52 52 THR H H 9.148 0.009 1
486 52 52 THR HA H 5.143 0.007 1
487 52 52 THR HB H 4.043 0.008 1
488 52 52 THR HG2 H 1.075 0.009 2
489 52 52 THR C C 174.517 0.000 1
490 52 52 THR CA C 61.804 0.117 1
491 52 52 THR CB C 69.908 0.065 1
492 52 52 THR CG2 C 21.266 0.097 1
493 52 52 THR N N 123.639 0.045 1
494 53 53 LEU H H 9.604 0.007 1
495 53 53 LEU HA H 5.323 0.010 1
496 53 53 LEU HB2 H 1.334 0.007 2
497 53 53 LEU HB3 H 1.686 0.027 2
498 53 53 LEU HD1 H 0.778 0.013 2
499 53 53 LEU C C 175.264 0.000 1
500 53 53 LEU CA C 53.191 0.035 1
501 53 53 LEU CB C 44.064 0.058 1
502 53 53 LEU CD1 C 23.913 0.055 2
503 53 53 LEU CG C 25.863 0.000 1
504 53 53 LEU N N 129.482 0.042 1
505 54 54 LYS H H 8.180 0.013 1
506 54 54 LYS HA H 5.130 0.006 1
507 54 54 LYS HB2 H 1.544 0.014 2
508 54 54 LYS HB3 H 1.910 0.006 2
509 54 54 LYS HG2 H 1.145 0.007 2
510 54 54 LYS HG3 H 1.344 0.009 2
511 54 54 LYS C C 175.374 0.000 1
512 54 54 LYS CA C 55.762 0.081 1
513 54 54 LYS CB C 33.611 0.077 1
514 54 54 LYS CD C 29.226 0.000 1
515 54 54 LYS CE C 41.639 0.000 1
516 54 54 LYS CG C 25.528 0.058 1
517 54 54 LYS N N 123.252 0.022 1
518 55 55 ILE H H 9.178 0.010 1
519 55 55 ILE HA H 5.517 0.009 1
520 55 55 ILE HB H 1.813 0.006 1
521 55 55 ILE HD1 H 0.762 0.006 2
522 55 55 ILE HG12 H 0.994 0.005 2
523 55 55 ILE HG13 H 1.267 0.012 2
524 55 55 ILE HG2 H 0.795 0.010 2
525 55 55 ILE C C 174.293 0.000 1
526 55 55 ILE CA C 58.240 0.063 1
527 55 55 ILE CB C 42.545 0.022 1
528 55 55 ILE CD1 C 14.927 0.103 1
529 55 55 ILE CG1 C 27.153 0.072 1
530 55 55 ILE CG2 C 18.853 0.091 1
531 55 55 ILE N N 122.579 0.021 1
532 56 56 GLU H H 9.275 0.003 1
533 56 56 GLU HA H 5.088 0.003 1
534 56 56 GLU HB2 H 1.888 0.014 2
535 56 56 GLU HB3 H 1.888 0.014 2
536 56 56 GLU HG2 H 1.966 0.005 2
537 56 56 GLU HG3 H 1.966 0.005 2
538 56 56 GLU C C 174.865 0.000 1
539 56 56 GLU CA C 55.030 0.061 1
540 56 56 GLU CB C 33.947 0.020 1
541 56 56 GLU CG C 37.009 0.101 1
542 56 56 GLU N N 121.671 0.041 1
543 57 57 ARG H H 8.824 0.006 1
544 57 57 ARG HA H 4.625 0.006 1
545 57 57 ARG HB2 H 1.483 0.002 2
546 57 57 ARG HB3 H 1.775 0.009 2
547 57 57 ARG HD2 H 2.950 0.017 2
548 57 57 ARG HD3 H 3.291 0.003 2
549 57 57 ARG HE H 9.294 0.004 1
550 57 57 ARG HG2 H 1.433 0.026 2
551 57 57 ARG HG3 H 1.327 0.000 2
552 57 57 ARG C C 175.855 0.000 1
553 57 57 ARG CA C 55.217 0.057 1
554 57 57 ARG CB C 33.369 0.085 1
555 57 57 ARG CD C 43.820 0.047 1
556 57 57 ARG CG C 25.227 0.188 1
557 57 57 ARG N N 128.434 0.027 1
558 57 57 ARG NE N 84.978 0.016 1
559 58 58 GLU H H 9.744 0.011 1
560 58 58 GLU HA H 3.874 0.011 1
561 58 58 GLU HG2 H 2.232 0.019 2
562 58 58 GLU HG3 H 2.232 0.019 2
563 58 58 GLU C C 175.228 0.000 1
564 58 58 GLU CA C 57.839 0.072 1
565 58 58 GLU CB C 27.708 0.011 1
566 58 58 GLU CG C 36.981 0.141 1
567 58 58 GLU N N 129.278 0.053 1
568 59 59 GLU H H 8.859 0.009 1
569 59 59 GLU HA H 3.780 0.004 1
570 59 59 GLU HB2 H 2.232 0.031 2
571 59 59 GLU HB3 H 2.340 0.006 2
572 59 59 GLU C C 175.335 0.000 1
573 59 59 GLU CA C 58.149 0.076 1
574 59 59 GLU CB C 27.737 0.055 1
575 59 59 GLU CG C 37.417 0.000 1
576 59 59 GLU N N 109.096 0.049 1
577 60 60 LYS H H 7.868 0.005 1
578 60 60 LYS HA H 4.672 0.004 1
579 60 60 LYS HB2 H 1.836 0.007 2
580 60 60 LYS HB3 H 1.836 0.007 2
581 60 60 LYS HG2 H 1.462 0.009 2
582 60 60 LYS HG3 H 1.506 0.008 2
583 60 60 LYS C C 175.383 0.000 1
584 60 60 LYS CA C 54.914 0.025 1
585 60 60 LYS CB C 34.552 0.030 1
586 60 60 LYS CG C 24.630 0.009 1
587 60 60 LYS N N 120.387 0.101 1
588 61 61 GLU H H 8.555 0.015 1
589 61 61 GLU HA H 5.274 0.007 1
590 61 61 GLU HB2 H 1.818 0.003 2
591 61 61 GLU HB3 H 1.983 0.007 2
592 61 61 GLU HG2 H 1.988 0.004 2
593 61 61 GLU C C 176.936 0.000 1
594 61 61 GLU CA C 55.352 0.092 1
595 61 61 GLU CB C 31.970 0.062 1
596 61 61 GLU CG C 37.033 0.087 1
597 61 61 GLU N N 122.597 0.070 1
598 62 62 LYS H H 9.083 0.008 1
599 62 62 LYS HA H 4.670 0.004 1
600 62 62 LYS HB2 H 1.534 0.007 2
601 62 62 LYS HB3 H 1.534 0.007 2
602 62 62 LYS HE2 H 3.016 0.000 2
603 62 62 LYS HE3 H 3.016 0.000 2
604 62 62 LYS HG2 H 1.272 0.000 2
605 62 62 LYS HG3 H 1.359 0.003 2
606 62 62 LYS C C 174.025 0.000 1
607 62 62 LYS CA C 55.073 0.054 1
608 62 62 LYS CB C 36.065 0.046 1
609 62 62 LYS CD C 28.854 0.000 1
610 62 62 LYS CE C 42.166 0.000 1
611 62 62 LYS CG C 24.240 0.094 1
612 62 62 LYS N N 122.915 0.044 1
613 63 63 ARG H H 8.555 0.005 1
614 63 63 ARG HA H 5.250 0.006 1
615 63 63 ARG HB2 H 1.664 0.006 2
616 63 63 ARG HB3 H 1.819 0.000 2
617 63 63 ARG HD2 H 3.127 0.007 2
618 63 63 ARG HD3 H 3.127 0.007 2
619 63 63 ARG C C 175.919 0.000 1
620 63 63 ARG CA C 55.203 0.125 1
621 63 63 ARG CB C 32.122 0.057 1
622 63 63 ARG CD C 43.413 0.000 1
623 63 63 ARG CG C 27.970 0.000 1
624 63 63 ARG N N 122.526 0.062 1
625 64 64 VAL H H 9.092 0.005 1
626 64 64 VAL HA H 4.530 0.009 1
627 64 64 VAL HB H 1.900 0.008 1
628 64 64 VAL HG1 H 0.834 0.005 2
629 64 64 VAL HG2 H 0.861 0.007 2
630 64 64 VAL C C 173.859 0.000 1
631 64 64 VAL CA C 60.475 0.050 1
632 64 64 VAL CB C 35.653 0.062 1
633 64 64 VAL CG1 C 20.358 0.126 2
634 64 64 VAL CG2 C 21.538 0.153 2
635 64 64 VAL N N 122.613 0.087 1
636 65 65 THR H H 8.869 0.007 1
637 65 65 THR HA H 5.154 0.006 1
638 65 65 THR HB H 3.869 0.006 1
639 65 65 THR HG2 H 1.095 0.008 2
640 65 65 THR C C 173.539 0.000 1
641 65 65 THR CA C 62.280 0.093 1
642 65 65 THR CB C 69.840 0.046 1
643 65 65 THR CG2 C 21.855 0.128 1
644 65 65 THR N N 124.225 0.024 1
645 66 66 LEU H H 9.025 0.010 1
646 66 66 LEU HA H 4.852 0.009 1
647 66 66 LEU HB2 H 1.210 0.007 2
648 66 66 LEU HB3 H 1.526 0.013 2
649 66 66 LEU HD1 H 0.739 0.008 2
650 66 66 LEU HD2 H 0.742 0.002 2
651 66 66 LEU C C 174.736 0.000 1
652 66 66 LEU CA C 53.001 0.075 1
653 66 66 LEU CB C 45.461 0.049 1
654 66 66 LEU CD1 C 25.023 0.075 2
655 66 66 LEU CD2 C 27.374 0.075 2
656 66 66 LEU CG C 27.134 0.000 1
657 66 66 LEU N N 126.846 0.054 1
658 67 67 THR H H 8.278 0.011 1
659 67 67 THR HA H 4.802 0.004 1
660 67 67 THR HB H 3.919 0.008 1
661 67 67 THR HG2 H 1.114 0.006 2
662 67 67 THR C C 174.222 0.000 1
663 67 67 THR CA C 61.290 0.092 1
664 67 67 THR CB C 69.352 0.050 1
665 67 67 THR CG2 C 21.230 0.114 1
666 67 67 THR N N 118.456 0.021 1
667 68 68 LEU H H 8.774 0.007 1
668 68 68 LEU HA H 3.802 0.010 1
669 68 68 LEU HB2 H 1.129 0.008 2
670 68 68 LEU HB3 H 1.749 0.009 2
671 68 68 LEU HD1 H 0.635 0.010 2
672 68 68 LEU HD2 H 0.574 0.013 2
673 68 68 LEU HG H 1.269 0.003 1
674 68 68 LEU C C 177.375 0.000 1
675 68 68 LEU CA C 57.738 0.056 1
676 68 68 LEU CB C 43.012 0.063 1
677 68 68 LEU CD1 C 24.512 0.142 2
678 68 68 LEU CD2 C 26.674 0.061 2
679 68 68 LEU CG C 31.620 0.018 1
680 68 68 LEU N N 126.416 0.017 1
681 69 69 LYS H H 8.318 0.007 1
682 69 69 LYS HA H 4.574 0.006 1
683 69 69 LYS HB2 H 1.626 0.008 2
684 69 69 LYS HB3 H 1.626 0.008 2
685 69 69 LYS HD2 H 1.693 0.003 2
686 69 69 LYS HD3 H 1.693 0.003 2
687 69 69 LYS HE2 H 3.024 0.006 2
688 69 69 LYS HE3 H 3.024 0.006 2
689 69 69 LYS HG2 H 1.575 0.007 2
690 69 69 LYS HG3 H 1.575 0.007 2
691 69 69 LYS C C 174.373 0.000 1
692 69 69 LYS CA C 54.341 0.038 1
693 69 69 LYS CB C 37.633 0.048 1
694 69 69 LYS CD C 29.734 0.078 1
695 69 69 LYS CE C 42.519 0.000 1
696 69 69 LYS CG C 24.468 0.095 1
697 69 69 LYS N N 121.423 0.028 1
698 70 70 GLN H H 8.634 0.006 1
699 70 70 GLN HA H 4.628 0.009 1
700 70 70 GLN HB2 H 1.998 0.012 2
701 70 70 GLN HB3 H 1.998 0.012 2
702 70 70 GLN HE22 H 7.714 0.004 2
703 70 70 GLN HG2 H 2.305 0.012 2
704 70 70 GLN HG3 H 2.478 0.008 2
705 70 70 GLN C C 176.097 0.000 1
706 70 70 GLN CA C 56.045 0.094 1
707 70 70 GLN CB C 29.548 0.052 1
708 70 70 GLN CG C 34.145 0.089 1
709 70 70 GLN N N 122.931 0.035 1
710 70 70 GLN NE2 N 112.669 0.025 1
711 71 71 PHE H H 8.453 0.002 1
712 71 71 PHE HA H 4.733 0.002 1
713 71 71 PHE HB2 H 3.145 0.013 2
714 71 71 PHE HB3 H 3.145 0.013 2
715 71 71 PHE HD1 H 7.214 0.034 3
716 71 71 PHE HD2 H 7.214 0.034 3
717 71 71 PHE HE1 H 7.005 0.035 3
718 71 71 PHE HE2 H 7.005 0.035 3
719 71 71 PHE CA C 57.116 0.061 1
720 71 71 PHE CB C 38.528 0.039 1
721 71 71 PHE CD1 C 131.929 0.021 3
722 71 71 PHE CE1 C 133.941 0.000 3
723 71 71 PHE N N 125.811 0.017 1
724 72 72 PRO HA H 4.223 0.013 1
725 72 72 PRO HB2 H 1.923 0.010 2
726 72 72 PRO HB3 H 2.319 0.005 2
727 72 72 PRO HD2 H 3.839 0.007 2
728 72 72 PRO HD3 H 4.156 0.005 2
729 72 72 PRO C C 177.526 0.000 1
730 72 72 PRO CA C 64.905 0.049 1
731 72 72 PRO CB C 32.021 0.091 1
732 72 72 PRO CD C 51.015 0.063 1
733 72 72 PRO CG C 27.466 0.000 1
734 73 73 ASP H H 8.662 0.017 1
735 73 73 ASP HA H 4.640 0.004 1
736 73 73 ASP HB2 H 2.770 0.010 2
737 73 73 ASP HB3 H 2.770 0.010 2
738 73 73 ASP C C 175.691 0.000 1
739 73 73 ASP CA C 54.119 0.036 1
740 73 73 ASP CB C 40.769 0.057 1
741 73 73 ASP N N 113.423 0.025 1
742 74 74 GLU H H 7.191 0.005 1
743 74 74 GLU HA H 4.772 0.011 1
744 74 74 GLU HB2 H 1.806 0.007 2
745 74 74 GLU HB3 H 1.993 0.008 2
746 74 74 GLU CA C 54.027 0.040 1
747 74 74 GLU CB C 31.547 0.031 1
748 74 74 GLU N N 118.591 0.057 1
749 75 75 PRO HA H 4.437 0.002 1
750 75 75 PRO HB2 H 1.939 0.004 2
751 75 75 PRO HB3 H 2.284 0.008 2
752 75 75 PRO HD2 H 3.398 0.008 2
753 75 75 PRO HD3 H 3.710 0.006 2
754 75 75 PRO HG2 H 1.939 0.008 2
755 75 75 PRO HG3 H 1.939 0.008 2
756 75 75 PRO C C 176.968 0.000 1
757 75 75 PRO CA C 64.682 0.063 1
758 75 75 PRO CB C 32.048 0.094 1
759 75 75 PRO CD C 50.123 0.021 1
760 75 75 PRO CG C 27.183 0.101 1
761 76 76 ASP H H 8.456 0.006 1
762 76 76 ASP HA H 4.612 0.007 1
763 76 76 ASP HB2 H 2.692 0.024 2
764 76 76 ASP HB3 H 2.692 0.024 2
765 76 76 ASP C C 175.215 0.000 1
766 76 76 ASP CA C 54.357 0.127 1
767 76 76 ASP CB C 40.629 0.054 1
768 76 76 ASP N N 115.696 0.028 1
769 77 77 ARG H H 8.432 0.009 1
770 77 77 ARG HA H 4.628 0.008 1
771 77 77 ARG HB2 H 1.607 0.005 2
772 77 77 ARG HB3 H 1.798 0.006 2
773 77 77 ARG HD2 H 2.817 0.007 2
774 77 77 ARG HD3 H 3.061 0.013 2
775 77 77 ARG HG3 H 1.606 0.004 2
776 77 77 ARG C C 173.278 0.000 1
777 77 77 ARG CA C 55.779 0.067 1
778 77 77 ARG CB C 33.878 0.100 1
779 77 77 ARG CD C 43.467 0.090 1
780 77 77 ARG CG C 27.743 0.108 1
781 77 77 ARG N N 122.498 0.008 1
782 78 78 ALA H H 8.476 0.003 1
783 78 78 ALA HA H 5.136 0.009 1
784 78 78 ALA HB H 1.100 0.007 2
785 78 78 ALA C C 176.695 0.000 1
786 78 78 ALA CA C 49.741 0.035 1
787 78 78 ALA CB C 22.117 0.080 1
788 78 78 ALA N N 124.968 0.034 1
789 79 79 GLY H H 8.310 0.005 1
790 79 79 GLY HA2 H 3.910 0.011 2
791 79 79 GLY HA3 H 4.208 0.016 2
792 79 79 GLY CA C 46.137 0.063 1
793 79 79 GLY N N 103.820 0.020 1
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