data_7225
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution NMR structure of the UPF0291 protein ynzC from Bacillus subtilis.
Northeast Structural Genomics target SR384. (CASP Target)
;
_BMRB_accession_number 7225
_BMRB_flat_file_name bmr7225.str
_Entry_type original
_Submission_date 2006-07-14
_Accession_date 2006-07-26
_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 Aramini J. M. .
2 Swapna G. V.T. .
3 Ho C. K. .
4 Shetty K. . .
5 Cunningham K. . .
6 Ma L.-C. . .
7 Xiao R. . .
8 Liu J. . .
9 Baran M. . .
10 Acton T. B. .
11 Rost B. . .
12 Montelione G. T. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 417
"13C chemical shifts" 338
"15N chemical shifts" 75
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2006-07-14 original author 'original release'
2008-07-16 update BMRB 'update entry citation'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution NMR structure of the SOS response protein YnzC from Bacillus subtilis'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 18431750
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Aramini J. M. .
2 Sharma S. . .
3 Huang Y. J. .
4 Swapna G. V.T. .
5 Ho C. K. .
6 Shetty K. . .
7 Cunningham K. . .
8 Ma L.-C. . .
9 Zhao L. . .
10 Owens L. A. .
11 Jiang M. . .
12 Xiao R. . .
13 Liu J. . .
14 Baran M. C. .
15 Acton T. B. .
16 Rost B. . .
17 Montelione G. T. .
stop_
_Journal_abbreviation Proteins
_Journal_volume 72
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 526
_Page_last 530
_Year 2008
_Details .
loop_
_Keyword
AUTOSTRUCTURE
NESG
'NMR structure'
'Northeast Structural Genomics Consortium'
'Protein Structure Initiative'
PSI-1
SR384
stop_
save_
##################################
# Molecular system description #
##################################
save_system
_Saveframe_category molecular_system
_Mol_system_name 'UPF0291 protein ynzC'
_Abbreviation_common 'UPF0291 protein ynzC'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'UPF0291 protein ynzC' $ynzC
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_ynzC
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'UPF0291 protein ynzC'
_Abbreviation_common 'UPF0291 protein ynzC'
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 85
_Mol_residue_sequence
;
MISNAKIARINELAAKAKAG
VITEEEKAEQQKLRQEYLKG
FRSSMKNTLKSVKIIDPEGN
DVTPEKLKREQRNNKLHLEH
HHHHH
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 ILE 3 SER 4 ASN 5 ALA
6 LYS 7 ILE 8 ALA 9 ARG 10 ILE
11 ASN 12 GLU 13 LEU 14 ALA 15 ALA
16 LYS 17 ALA 18 LYS 19 ALA 20 GLY
21 VAL 22 ILE 23 THR 24 GLU 25 GLU
26 GLU 27 LYS 28 ALA 29 GLU 30 GLN
31 GLN 32 LYS 33 LEU 34 ARG 35 GLN
36 GLU 37 TYR 38 LEU 39 LYS 40 GLY
41 PHE 42 ARG 43 SER 44 SER 45 MET
46 LYS 47 ASN 48 THR 49 LEU 50 LYS
51 SER 52 VAL 53 LYS 54 ILE 55 ILE
56 ASP 57 PRO 58 GLU 59 GLY 60 ASN
61 ASP 62 VAL 63 THR 64 PRO 65 GLU
66 LYS 67 LEU 68 LYS 69 ARG 70 GLU
71 GLN 72 ARG 73 ASN 74 ASN 75 LYS
76 LEU 77 HIS 78 LEU 79 GLU 80 HIS
81 HIS 82 HIS 83 HIS 84 HIS 85 HIS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
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 15476 SR384-1-46 54.12 54 100.00 100.00 5.26e-22
PDB 2HEP "Solution Nmr Structure Of The Upf0291 Protein Ynzc From Bacillus Subtilis. Northeast Structural Genomics Target Sr384" 100.00 85 100.00 100.00 6.80e-53
PDB 2JVD "Solution Nmr Structure Of The Folded N-Terminal Fragment Of Upf0291 Protein Ynzc From Bacillus Subtilis. Northeast Structural G" 54.12 54 100.00 100.00 5.26e-22
PDB 3BHP "Crystal Structure Of Upf0291 Protein Ynzc From Bacillus Subtilis At Resolution 2.0 A. Northeast Structural Genomics Consortium " 60.00 60 98.04 98.04 2.53e-24
DBJ BAI85472 "hypothetical protein BSNT_08369 [Bacillus subtilis subsp. natto BEST195]" 90.59 77 100.00 100.00 1.56e-46
DBJ BAM52440 "hypothetical protein BEST7613_3509 [Synechocystis sp. PCC 6803]" 90.59 77 100.00 100.00 1.56e-46
DBJ BAM58016 "hypothetical protein BEST7003_1815 [Bacillus subtilis BEST7003]" 90.59 77 100.00 100.00 1.56e-46
DBJ GAK81555 "hypothetical protein BSMD_034710 [Bacillus subtilis Miyagi-4]" 90.59 77 100.00 100.00 1.56e-46
EMBL CAB13672 "conserved hypothetical protein [Bacillus subtilis subsp. subtilis str. 168]" 90.59 77 100.00 100.00 1.56e-46
EMBL CCU58402 "hypothetical protein BSUBE1_1771 [Bacillus subtilis E1]" 90.59 77 100.00 100.00 1.56e-46
EMBL CEI56979 "hypothetical protein BS49_19830 [Bacillus subtilis]" 90.59 77 100.00 100.00 1.56e-46
EMBL CEJ77403 "hypothetical protein BS34A_19820 [Bacillus sp.]" 90.59 77 100.00 100.00 1.56e-46
GB ADV92690 "hypothetical protein BSn5_00270 [Bacillus subtilis BSn5]" 90.59 77 100.00 100.00 1.56e-46
GB AEP90959 "hypothetical protein I33_2000 [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 90.59 77 100.00 100.00 1.56e-46
GB AFI28488 "hypothetical protein MY9_1953 [Bacillus sp. JS]" 90.59 77 98.70 100.00 4.40e-46
GB AFQ57722 "YnzC [Bacillus subtilis QB928]" 90.59 77 100.00 100.00 1.56e-46
GB AGE63629 "hypothetical protein C663_1841 [Bacillus subtilis XF-1]" 90.59 77 100.00 100.00 1.56e-46
REF NP_389671 "hypothetical protein BSU17880 [Bacillus subtilis subsp. subtilis str. 168]" 90.59 77 100.00 100.00 1.56e-46
REF WP_003231595 "MULTISPECIES: hypothetical protein [Bacillales]" 90.59 77 100.00 100.00 1.56e-46
REF WP_014664125 "hypothetical protein [Bacillus sp. JS]" 90.59 77 98.70 100.00 4.40e-46
REF WP_019714523 "hypothetical protein [Bacillus subtilis]" 90.59 77 98.70 100.00 5.24e-46
REF WP_024573193 "hypothetical protein [Bacillus subtilis]" 90.59 77 98.70 100.00 7.75e-46
SP O31818 "RecName: Full=UPF0291 protein YnzC [Bacillus subtilis subsp. subtilis str. 168]" 90.59 77 100.00 100.00 1.56e-46
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$ynzC '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
$ynzC 'recombinant technology' . . . . .
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
$ynzC 1.12 mM '[U-13C; U-15N]'
MES 20 mM .
NaCl 100 mM .
CaCl2 5 mM .
DTT 10 mM .
NaN3 0.02 % .
D2O 5 % .
H2O 95 % .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$ynzC 1.12 mM '[U-5% 13C; U-15N]'
MES 20 mM .
NaCl 100 mM .
CaCl2 5 mM .
DTT 10 mM .
NaN3 0.02 % .
D2O 5 % .
H2O 95 % .
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Saveframe_category software
_Name VNMR
_Version 6.1C
loop_
_Task
collection
stop_
_Details Varian
save_
save_XWINNMR
_Saveframe_category software
_Name xwinnmr
_Version 3.5pl6
loop_
_Task
collection
stop_
_Details Bruker
save_
save_AutoAssign
_Saveframe_category software
_Name AutoAssign
_Version 2.2.1
loop_
_Task
'data analysis'
stop_
_Details 'Zimmerman, Moseley, Montelione'
save_
save_Sparky
_Saveframe_category software
_Name SPARKY
_Version 3.110
loop_
_Task
'data analysis'
stop_
_Details 'Goddard & Kneller'
save_
save_AutoStructure
_Saveframe_category software
_Name AutoStruct
_Version 2.1.1
loop_
_Task
refinement
stop_
_Details 'Huang & Montelione'
save_
save_XPLOR-NIH
_Saveframe_category software
_Name 'X-PLOR NIH'
_Version 2.11.2
loop_
_Task
refinement
stop_
_Details 'Clore et al'
save_
save_AGNUS
_Saveframe_category software
_Name AGNUS
_Version 2.0
loop_
_Task
'data analysis'
stop_
_Details 'Moseley & Montelione'
save_
save_PDBStat
_Saveframe_category software
_Name PDBStat
_Version 4.01
loop_
_Task
'data analysis'
stop_
_Details 'Tejero & Montelione'
save_
save_PSVS
_Saveframe_category software
_Name PSVS
_Version 1.2
loop_
_Task
'data analysis'
stop_
_Details 'Bhattacharya & Montelione'
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label .
save_
save_3D_13C-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label .
save_
save_HNHA_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_Sample_label .
save_
save_3D_GFT-CBCACAcoNHN_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D GFT-CBCACAcoNHN'
_Sample_label .
save_
save_GFT-HNNCACBCA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name GFT-HNNCACBCA
_Sample_label .
save_
save_GFT-HABCABcoNHN_6
_Saveframe_category NMR_applied_experiment
_Experiment_name GFT-HABCABcoNHN
_Sample_label .
save_
save_3D_HCCH-TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label .
save_
save_CCcoNH_TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name 'CCcoNH TOCSY'
_Sample_label .
save_
save_HCCH-COSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-COSY
_Sample_label .
save_
save_high_resolution_2D_CH-HQSC_(for_stereospecific_assignment_of_Val/Leu_methyls)_10
_Saveframe_category NMR_applied_experiment
_Experiment_name 'high resolution 2D CH-HQSC (for stereospecific assignment of Val/Leu methyls)'
_Sample_label .
save_
save_3D_HNCO_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label .
save_
save_HNcaCO_12
_Saveframe_category NMR_applied_experiment
_Experiment_name HNcaCO
_Sample_label .
save_
save_2D_15N1H-heteronuclear_NOE_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 15N1H-heteronuclear NOE'
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D GFT-CBCACAcoNHN'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name GFT-HNNCACBCA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_6
_Saveframe_category NMR_applied_experiment
_Experiment_name GFT-HABCABcoNHN
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_8
_Saveframe_category NMR_applied_experiment
_Experiment_name 'CCcoNH TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-COSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_10
_Saveframe_category NMR_applied_experiment
_Experiment_name 'high resolution 2D CH-HQSC (for stereospecific assignment of Val/Leu methyls)'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_12
_Saveframe_category NMR_applied_experiment
_Experiment_name HNcaCO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 15N1H-heteronuclear NOE'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 100 . mM
pH 6.5 . pH
pressure 1 . atm
temperature 293 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_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 0.0 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'UPF0291 protein ynzC'
_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 ILE HA H 4.344 . 1
2 . 2 ILE HB H 1.913 . 1
3 . 2 ILE HG12 H 1.574 . 2
4 . 2 ILE HG13 H 1.341 . 2
5 . 2 ILE HG2 H 0.968 . 1
6 . 2 ILE HD1 H 0.860 . 1
7 . 2 ILE C C 174.425 . 1
8 . 2 ILE CA C 61.108 . 1
9 . 2 ILE CB C 39.238 . 1
10 . 2 ILE CG1 C 27.258 . 1
11 . 2 ILE CG2 C 17.523 . 1
12 . 2 ILE CD1 C 13.978 . 1
13 . 3 SER H H 8.095 . 1
14 . 3 SER HA H 4.409 . 1
15 . 3 SER HB2 H 4.224 . 2
16 . 3 SER HB3 H 3.971 . 2
17 . 3 SER C C 174.634 . 1
18 . 3 SER CA C 57.727 . 1
19 . 3 SER CB C 64.797 . 1
20 . 3 SER N N 119.131 . 1
21 . 4 ASN HA H 4.501 . 1
22 . 4 ASN HB2 H 2.831 . 1
23 . 4 ASN HB3 H 2.831 . 1
24 . 4 ASN C C 177.71 . 1
25 . 4 ASN CA C 55.66 . 1
26 . 4 ASN CB C 37.92 . 1
27 . 4 ASN ND2 N 112.93 . 1
28 . 4 ASN HD21 H 7.733 . 1
29 . 4 ASN HD22 H 7.014 . 1
30 . 5 ALA HA H 4.186 . 1
31 . 5 ALA HB H 1.426 . 1
32 . 5 ALA C C 180.561 . 1
33 . 5 ALA CA C 54.955 . 1
34 . 5 ALA CB C 18.394 . 1
35 . 6 LYS H H 7.836 . 1
36 . 6 LYS HA H 4.109 . 1
37 . 6 LYS HB2 H 2.004 . 2
38 . 6 LYS HB3 H 1.717 . 2
39 . 6 LYS HG2 H 1.511 . 2
40 . 6 LYS HG3 H 1.381 . 2
41 . 6 LYS HD2 H 1.718 . 2
42 . 6 LYS HD3 H 1.666 . 2
43 . 6 LYS HE2 H 2.953 . 1
44 . 6 LYS HE3 H 2.953 . 1
45 . 6 LYS C C 178.345 . 1
46 . 6 LYS CA C 59.567 . 1
47 . 6 LYS CB C 32.772 . 1
48 . 6 LYS CG C 26.818 . 1
49 . 6 LYS CD C 29.448 . 1
50 . 6 LYS CE C 42.237 . 1
51 . 6 LYS N N 119.974 . 1
52 . 7 ILE H H 7.905 . 1
53 . 7 ILE HA H 3.593 . 1
54 . 7 ILE HB H 1.923 . 1
55 . 7 ILE HG12 H 1.658 . 2
56 . 7 ILE HG13 H 1.082 . 2
57 . 7 ILE HG2 H 0.878 . 1
58 . 7 ILE HD1 H 0.856 . 1
59 . 7 ILE C C 177.768 . 1
60 . 7 ILE CA C 64.532 . 1
61 . 7 ILE CB C 37.655 . 1
62 . 7 ILE CG1 C 29.078 . 1
63 . 7 ILE CG2 C 17.282 . 1
64 . 7 ILE CD1 C 12.632 . 1
65 . 7 ILE N N 120.562 . 1
66 . 8 ALA H H 8.072 . 1
67 . 8 ALA HA H 4.158 . 1
68 . 8 ALA HB H 1.467 . 1
69 . 8 ALA C C 180.639 . 1
70 . 8 ALA CA C 55.098 . 1
71 . 8 ALA CB C 17.539 . 1
72 . 8 ALA N N 121.450 . 1
73 . 9 ARG H H 7.771 . 1
74 . 9 ARG HA H 4.219 . 1
75 . 9 ARG HB2 H 2.242 . 2
76 . 9 ARG HB3 H 1.963 . 2
77 . 9 ARG HG2 H 1.832 . 2
78 . 9 ARG HG3 H 1.443 . 2
79 . 9 ARG HD2 H 3.450 . 2
80 . 9 ARG HD3 H 2.975 . 2
81 . 9 ARG C C 178.081 . 1
82 . 9 ARG CA C 57.453 . 1
83 . 9 ARG CB C 29.659 . 1
84 . 9 ARG CG C 26.140 . 1
85 . 9 ARG CD C 43.182 . 1
86 . 9 ARG N N 120.748 . 1
87 . 10 ILE H H 8.472 . 1
88 . 10 ILE HA H 3.564 . 1
89 . 10 ILE HB H 2.034 . 1
90 . 10 ILE HG12 H 1.900 . 2
91 . 10 ILE HG13 H 0.903 . 2
92 . 10 ILE HG2 H 0.780 . 1
93 . 10 ILE HD1 H 0.667 . 1
94 . 10 ILE C C 179.273 . 1
95 . 10 ILE CA C 66.444 . 1
96 . 10 ILE CB C 37.853 . 1
97 . 10 ILE CG1 C 31.298 . 1
98 . 10 ILE CG2 C 16.622 . 1
99 . 10 ILE CD1 C 13.412 . 1
100 . 10 ILE N N 121.536 . 1
101 . 11 ASN H H 8.159 . 1
102 . 11 ASN HA H 4.487 . 1
103 . 11 ASN HB2 H 2.885 . 2
104 . 11 ASN HB3 H 2.788 . 2
105 . 11 ASN C C 178.141 . 1
106 . 11 ASN CA C 55.996 . 1
107 . 11 ASN CB C 37.818 . 1
108 . 11 ASN N N 119.327 . 1
109 . 11 ASN ND2 N 112.12 . 1
110 . 11 ASN HD21 H 7.549 . 1
111 . 11 ASN HD22 H 6.890 . 1
112 . 12 GLU H H 8.541 . 1
113 . 12 GLU HA H 4.108 . 1
114 . 12 GLU HB2 H 2.251 . 2
115 . 12 GLU HB3 H 2.180 . 2
116 . 12 GLU HG2 H 2.366 . 2
117 . 12 GLU HG3 H 1.988 . 2
118 . 12 GLU C C 179.656 . 1
119 . 12 GLU CA C 59.314 . 1
120 . 12 GLU CB C 30.116 . 1
121 . 12 GLU CG C 35.992 . 1
122 . 12 GLU N N 124.737 . 1
123 . 13 LEU H H 8.679 . 1
124 . 13 LEU HA H 3.936 . 1
125 . 13 LEU HB2 H 1.929 . 2
126 . 13 LEU HB3 H 1.186 . 2
127 . 13 LEU HG H 1.759 . 1
128 . 13 LEU HD1 H 0.759 . 1
129 . 13 LEU HD2 H 0.734 . 1
130 . 13 LEU C C 178.464 . 1
131 . 13 LEU CA C 57.889 . 1
132 . 13 LEU CB C 41.183 . 1
133 . 13 LEU CG C 26.772 . 1
134 . 13 LEU CD1 C 25.621 . 1
135 . 13 LEU CD2 C 21.621 . 1
136 . 13 LEU N N 119.465 . 1
137 . 14 ALA H H 8.332 . 1
138 . 14 ALA HA H 4.067 . 1
139 . 14 ALA HB H 1.519 . 1
140 . 14 ALA C C 180.884 . 1
141 . 14 ALA CA C 55.077 . 1
142 . 14 ALA CB C 17.864 . 1
143 . 14 ALA N N 122.268 . 1
144 . 15 ALA H H 7.788 . 1
145 . 15 ALA HA H 4.176 . 1
146 . 15 ALA HB H 1.532 . 1
147 . 15 ALA C C 181.250 . 1
148 . 15 ALA CA C 55.126 . 1
149 . 15 ALA CB C 17.754 . 1
150 . 15 ALA N N 121.815 . 1
151 . 16 LYS H H 7.970 . 1
152 . 16 LYS HA H 4.023 . 1
153 . 16 LYS HB2 H 1.890 . 2
154 . 16 LYS HB3 H 1.499 . 2
155 . 16 LYS HG2 H 1.763 . 2
156 . 16 LYS HG3 H 1.310 . 2
157 . 16 LYS HD2 H 1.677 . 2
158 . 16 LYS HD3 H 1.535 . 2
159 . 16 LYS HE2 H 2.919 . 1
160 . 16 LYS HE3 H 2.833 . 2
161 . 16 LYS C C 179.098 . 1
162 . 16 LYS CA C 59.792 . 1
163 . 16 LYS CB C 32.799 . 1
164 . 16 LYS CG C 26.126 . 1
165 . 16 LYS CD C 29.890 . 1
166 . 16 LYS CE C 42.040 . 1
167 . 16 LYS N N 120.063 . 1
168 . 17 ALA H H 8.528 . 1
169 . 17 ALA HA H 4.011 . 1
170 . 17 ALA HB H 1.563 . 1
171 . 17 ALA C C 181.133 . 1
172 . 17 ALA CA C 55.018 . 1
173 . 17 ALA CB C 17.902 . 1
174 . 17 ALA N N 123.107 . 1
175 . 18 LYS H H 8.127 . 1
176 . 18 LYS HA H 4.047 . 1
177 . 18 LYS HB2 H 1.925 . 1
178 . 18 LYS HB3 H 1.925 . 1
179 . 18 LYS HG2 H 1.533 . 2
180 . 18 LYS HG3 H 1.454 . 2
181 . 18 LYS HD2 H 1.675 . 1
182 . 18 LYS HD3 H 1.675 . 1
183 . 18 LYS HE2 H 2.957 . 1
184 . 18 LYS HE3 H 2.957 . 1
185 . 18 LYS C C 177.977 . 1
186 . 18 LYS CA C 59.041 . 1
187 . 18 LYS CB C 32.452 . 1
188 . 18 LYS CG C 25.057 . 1
189 . 18 LYS CD C 29.272 . 1
190 . 18 LYS CE C 42.155 . 1
191 . 18 LYS N N 120.940 . 1
192 . 19 ALA H H 7.658 . 1
193 . 19 ALA HA H 4.346 . 1
194 . 19 ALA HB H 1.532 . 1
195 . 19 ALA C C 177.743 . 1
196 . 19 ALA CA C 52.497 . 1
197 . 19 ALA CB C 19.521 . 1
198 . 19 ALA N N 118.220 . 1
199 . 20 GLY H H 7.753 . 1
200 . 20 GLY HA2 H 4.167 . 2
201 . 20 GLY HA3 H 3.941 . 2
202 . 20 GLY C C 175.025 . 1
203 . 20 GLY CA C 45.938 . 1
204 . 20 GLY N N 106.044 . 1
205 . 21 VAL H H 7.674 . 1
206 . 21 VAL HA H 4.604 . 1
207 . 21 VAL HB H 2.414 . 1
208 . 21 VAL HG1 H 0.845 . 1
209 . 21 VAL HG2 H 0.847 . 1
210 . 21 VAL C C 175.851 . 1
211 . 21 VAL CA C 60.306 . 1
212 . 21 VAL CB C 32.552 . 1
213 . 21 VAL CG1 C 20.967 . 1
214 . 21 VAL CG2 C 18.760 . 1
215 . 21 VAL N N 109.667 . 1
216 . 22 ILE H H 6.836 . 1
217 . 22 ILE HA H 4.344 . 1
218 . 22 ILE HB H 1.273 . 1
219 . 22 ILE HG12 H 1.783 . 2
220 . 22 ILE HG13 H 1.614 . 2
221 . 22 ILE HG2 H 0.857 . 1
222 . 22 ILE HD1 H 0.795 . 1
223 . 22 ILE C C 174.149 . 1
224 . 22 ILE CA C 61.241 . 1
225 . 22 ILE CB C 40.159 . 1
226 . 22 ILE CG1 C 30.569 . 1
227 . 22 ILE CG2 C 15.687 . 1
228 . 22 ILE CD1 C 13.816 . 1
229 . 22 ILE N N 124.006 . 1
230 . 23 THR H H 9.113 . 1
231 . 23 THR HA H 4.591 . 1
232 . 23 THR HB H 4.796 . 1
233 . 23 THR HG2 H 1.310 . 1
234 . 23 THR C C 175.807 . 1
235 . 23 THR CA C 60.983 . 1
236 . 23 THR CB C 71.518 . 1
237 . 23 THR CG2 C 21.630 . 1
238 . 23 THR N N 120.169 . 1
239 . 24 GLU H H 9.020 . 1
240 . 24 GLU HA H 3.958 . 1
241 . 24 GLU HB2 H 2.080 . 2
242 . 24 GLU HB3 H 2.049 . 2
243 . 24 GLU HG2 H 2.399 . 1
244 . 24 GLU HG3 H 2.399 . 1
245 . 24 GLU C C 179.997 . 1
246 . 24 GLU CA C 59.991 . 1
247 . 24 GLU CB C 29.159 . 1
248 . 24 GLU CG C 36.327 . 1
249 . 24 GLU N N 120.248 . 1
250 . 25 GLU H H 8.925 . 1
251 . 25 GLU HA H 4.106 . 1
252 . 25 GLU HB2 H 2.043 . 2
253 . 25 GLU HB3 H 1.952 . 2
254 . 25 GLU HG2 H 2.396 . 2
255 . 25 GLU HG3 H 2.302 . 2
256 . 25 GLU C C 180.177 . 1
257 . 25 GLU CA C 60.072 . 1
258 . 25 GLU CB C 29.181 . 1
259 . 25 GLU CG C 36.800 . 1
260 . 25 GLU N N 120.722 . 1
261 . 26 GLU H H 7.842 . 1
262 . 26 GLU HA H 4.070 . 1
263 . 26 GLU HB2 H 2.449 . 2
264 . 26 GLU HB3 H 1.727 . 2
265 . 26 GLU HG2 H 2.343 . 2
266 . 26 GLU HG3 H 2.055 . 2
267 . 26 GLU C C 179.118 . 1
268 . 26 GLU CA C 58.695 . 1
269 . 26 GLU CB C 30.552 . 1
270 . 26 GLU CG C 37.561 . 1
271 . 26 GLU N N 121.997 . 1
272 . 27 LYS H H 8.662 . 1
273 . 27 LYS HA H 3.959 . 1
274 . 27 LYS HB2 H 1.933 . 2
275 . 27 LYS HB3 H 1.897 . 2
276 . 27 LYS HG2 H 1.656 . 2
277 . 27 LYS HG3 H 1.375 . 2
278 . 27 LYS HD2 H 1.637 . 1
279 . 27 LYS HD3 H 1.637 . 1
280 . 27 LYS HE2 H 2.849 . 2
281 . 27 LYS HE3 H 2.780 . 2
282 . 27 LYS C C 179.764 . 1
283 . 27 LYS CA C 60.249 . 1
284 . 27 LYS CB C 32.602 . 1
285 . 27 LYS CG C 26.023 . 1
286 . 27 LYS CD C 29.838 . 1
287 . 27 LYS CE C 42.025 . 1
288 . 27 LYS N N 121.341 . 1
289 . 28 ALA H H 7.643 . 1
290 . 28 ALA HA H 4.215 . 1
291 . 28 ALA HB H 1.525 . 1
292 . 28 ALA C C 180.519 . 1
293 . 28 ALA CA C 55.043 . 1
294 . 28 ALA CB C 17.715 . 1
295 . 28 ALA N N 122.708 . 1
296 . 29 GLU H H 7.912 . 1
297 . 29 GLU HA H 3.958 . 1
298 . 29 GLU HB2 H 2.251 . 2
299 . 29 GLU HB3 H 2.035 . 2
300 . 29 GLU HG2 H 2.372 . 2
301 . 29 GLU HG3 H 2.025 . 2
302 . 29 GLU C C 178.152 . 1
303 . 29 GLU CA C 59.304 . 1
304 . 29 GLU CB C 29.504 . 1
305 . 29 GLU CG C 35.136 . 1
306 . 29 GLU N N 122.762 . 1
307 . 30 GLN H H 8.901 . 1
308 . 30 GLN HA H 3.797 . 1
309 . 30 GLN HB2 H 2.384 . 2
310 . 30 GLN HB3 H 2.084 . 2
311 . 30 GLN HG2 H 2.339 . 2
312 . 30 GLN HG3 H 2.179 . 2
313 . 30 GLN HE21 H 7.672 . 1
314 . 30 GLN HE22 H 6.153 . 1
315 . 30 GLN C C 177.801 . 1
316 . 30 GLN CA C 59.680 . 1
317 . 30 GLN CB C 29.431 . 1
318 . 30 GLN CG C 33.710 . 1
319 . 30 GLN N N 119.305 . 1
320 . 30 GLN NE2 N 108.468 . 1
321 . 31 GLN H H 7.872 . 1
322 . 31 GLN HA H 4.079 . 1
323 . 31 GLN HB2 H 2.197 . 2
324 . 31 GLN HB3 H 2.193 . 2
325 . 31 GLN HG2 H 2.486 . 1
326 . 31 GLN HG3 H 2.486 . 1
327 . 31 GLN C C 178.365 . 1
328 . 31 GLN CA C 58.903 . 1
329 . 31 GLN CB C 28.339 . 1
330 . 31 GLN CG C 33.658 . 1
331 . 31 GLN N N 118.003 . 1
332 . 32 LYS H H 7.737 . 1
333 . 32 LYS HA H 4.085 . 1
334 . 32 LYS HB2 H 1.993 . 2
335 . 32 LYS HB3 H 1.987 . 2
336 . 32 LYS HG2 H 1.586 . 2
337 . 32 LYS HG3 H 1.417 . 2
338 . 32 LYS HD2 H 1.687 . 1
339 . 32 LYS HD3 H 1.687 . 1
340 . 32 LYS HE2 H 2.963 . 1
341 . 32 LYS HE3 H 2.963 . 1
342 . 32 LYS C C 179.952 . 1
343 . 32 LYS CA C 59.646 . 1
344 . 32 LYS CB C 32.446 . 1
345 . 32 LYS CG C 25.084 . 1
346 . 32 LYS CD C 29.360 . 1
347 . 32 LYS CE C 42.162 . 1
348 . 32 LYS N N 120.855 . 1
349 . 33 LEU H H 8.628 . 1
350 . 33 LEU HA H 4.144 . 1
351 . 33 LEU HB2 H 1.907 . 2
352 . 33 LEU HB3 H 1.336 . 2
353 . 33 LEU HG H 1.892 . 1
354 . 33 LEU HD1 H 0.910 . 1
355 . 33 LEU HD2 H 0.950 . 1
356 . 33 LEU C C 179.429 . 1
357 . 33 LEU CA C 57.860 . 1
358 . 33 LEU CB C 42.595 . 1
359 . 33 LEU CG C 26.880 . 1
360 . 33 LEU CD1 C 26.606 . 1
361 . 33 LEU CD2 C 22.717 . 1
362 . 33 LEU N N 120.102 . 1
363 . 34 ARG H H 8.428 . 1
364 . 34 ARG HA H 3.997 . 1
365 . 34 ARG HB2 H 1.956 . 1
366 . 34 ARG HB3 H 1.956 . 1
367 . 34 ARG HG2 H 1.811 . 2
368 . 34 ARG HG3 H 1.592 . 2
369 . 34 ARG HD2 H 3.196 . 2
370 . 34 ARG HD3 H 3.145 . 2
371 . 34 ARG C C 178.612 . 1
372 . 34 ARG CA C 59.762 . 1
373 . 34 ARG CB C 29.878 . 1
374 . 34 ARG CG C 28.005 . 1
375 . 34 ARG CD C 43.485 . 1
376 . 34 ARG N N 119.213 . 1
377 . 35 GLN H H 7.859 . 1
378 . 35 GLN HA H 4.080 . 1
379 . 35 GLN HB2 H 2.267 . 2
380 . 35 GLN HB3 H 2.188 . 2
381 . 35 GLN HG2 H 2.557 . 2
382 . 35 GLN HG3 H 2.479 . 2
383 . 35 GLN C C 178.660 . 1
384 . 35 GLN CA C 58.834 . 1
385 . 35 GLN CB C 28.420 . 1
386 . 35 GLN CG C 34.104 . 1
387 . 35 GLN N N 117.428 . 1
388 . 36 GLU H H 7.954 . 1
389 . 36 GLU HA H 4.001 . 1
390 . 36 GLU HB2 H 2.177 . 2
391 . 36 GLU HB3 H 2.095 . 2
392 . 36 GLU HG2 H 2.443 . 2
393 . 36 GLU HG3 H 2.176 . 2
394 . 36 GLU C C 179.087 . 1
395 . 36 GLU CA C 59.463 . 1
396 . 36 GLU CB C 29.862 . 1
397 . 36 GLU CG C 36.486 . 1
398 . 36 GLU N N 119.701 . 1
399 . 37 TYR H H 8.617 . 1
400 . 37 TYR HA H 4.148 . 1
401 . 37 TYR HB2 H 3.245 . 2
402 . 37 TYR HB3 H 3.016 . 2
403 . 37 TYR HD1 H 7.026 . 1
404 . 37 TYR HD2 H 7.024 . 1
405 . 37 TYR HE1 H 6.768 . 1
406 . 37 TYR HE2 H 6.768 . 1
407 . 37 TYR C C 177.587 . 1
408 . 37 TYR CA C 60.699 . 1
409 . 37 TYR CB C 38.637 . 1
410 . 37 TYR CD1 C 132.846 . 1
411 . 37 TYR CD2 C 132.856 . 1
412 . 37 TYR CE1 C 118.310 . 1
413 . 37 TYR CE2 C 118.309 . 1
414 . 37 TYR N N 120.934 . 1
415 . 38 LEU H H 8.264 . 1
416 . 38 LEU HA H 4.050 . 1
417 . 38 LEU HB2 H 1.865 . 2
418 . 38 LEU HB3 H 1.576 . 2
419 . 38 LEU HG H 1.862 . 1
420 . 38 LEU HD1 H 0.912 . 1
421 . 38 LEU HD2 H 0.881 . 1
422 . 38 LEU C C 179.078 . 1
423 . 38 LEU CA C 57.120 . 1
424 . 38 LEU CB C 42.036 . 1
425 . 38 LEU CG C 26.990 . 1
426 . 38 LEU CD1 C 25.318 . 1
427 . 38 LEU CD2 C 22.968 . 1
428 . 38 LEU N N 119.196 . 1
429 . 39 LYS H H 7.812 . 1
430 . 39 LYS HA H 4.130 . 1
431 . 39 LYS HB2 H 1.886 . 1
432 . 39 LYS HB3 H 1.885 . 1
433 . 39 LYS HG2 H 1.556 . 2
434 . 39 LYS HG3 H 1.432 . 2
435 . 39 LYS HD2 H 1.673 . 1
436 . 39 LYS HD3 H 1.673 . 1
437 . 39 LYS HE2 H 2.961 . 1
438 . 39 LYS HE3 H 2.961 . 1
439 . 39 LYS C C 178.255 . 1
440 . 39 LYS CA C 58.273 . 1
441 . 39 LYS CB C 32.543 . 1
442 . 39 LYS CG C 25.140 . 1
443 . 39 LYS CD C 29.294 . 1
444 . 39 LYS CE C 42.191 . 1
445 . 39 LYS N N 118.888 . 1
446 . 40 GLY H H 7.871 . 1
447 . 40 GLY HA2 H 3.961 . 2
448 . 40 GLY HA3 H 3.757 . 2
449 . 40 GLY C C 174.429 . 1
450 . 40 GLY CA C 45.771 . 1
451 . 40 GLY N N 106.704 . 1
452 . 41 PHE H H 7.866 . 1
453 . 41 PHE HA H 4.415 . 1
454 . 41 PHE HB2 H 3.031 . 2
455 . 41 PHE HB3 H 2.873 . 2
456 . 41 PHE HD1 H 7.199 . 1
457 . 41 PHE HD2 H 7.199 . 1
458 . 41 PHE HE1 H 7.181 . 1
459 . 41 PHE HE2 H 7.180 . 1
460 . 41 PHE HZ H 7.258 . 1
461 . 41 PHE C C 176.128 . 1
462 . 41 PHE CA C 58.900 . 1
463 . 41 PHE CB C 39.475 . 1
464 . 41 PHE CD1 C 131.635 . 1
465 . 41 PHE CD2 C 131.605 . 1
466 . 41 PHE CE1 C 131.590 . 1
467 . 41 PHE CE2 C 131.527 . 1
468 . 41 PHE CZ C 129.680 . 1
469 . 41 PHE N N 120.496 . 1
470 . 42 ARG H H 8.043 . 1
471 . 42 ARG C C 176.577 . 1
472 . 42 ARG CB C 30.762 . 1
473 . 42 ARG CG C 27.226 . 1
474 . 42 ARG CD C 43.463 . 1
475 . 42 ARG N N 121.502 . 1
476 . 43 SER H H 8.204 . 1
477 . 43 SER N N 116.205 . 1
478 . 47 ASN HA H 4.737 . 1
479 . 47 ASN HB2 H 2.812 . 1
480 . 47 ASN HB3 H 2.812 . 1
481 . 47 ASN C C 175.477 . 1
482 . 47 ASN CA C 53.466 . 1
483 . 47 ASN CB C 38.855 . 1
484 . 48 THR H H 8.107 . 1
485 . 48 THR HA H 4.299 . 1
486 . 48 THR HB H 4.242 . 1
487 . 48 THR HG2 H 1.183 . 1
488 . 48 THR C C 174.645 . 1
489 . 48 THR CA C 62.147 . 1
490 . 48 THR CB C 69.712 . 1
491 . 48 THR CG2 C 21.742 . 1
492 . 48 THR N N 114.442 . 1
493 . 49 LEU H H 8.196 . 1
494 . 49 LEU HA H 4.335 . 1
495 . 49 LEU HB2 H 1.645 . 2
496 . 49 LEU HB3 H 1.575 . 2
497 . 49 LEU HG H 1.596 . 1
498 . 49 LEU HD1 H 0.892 . 1
499 . 49 LEU HD2 H 0.841 . 1
500 . 49 LEU C C 177.359 . 1
501 . 49 LEU CA C 55.515 . 1
502 . 49 LEU CB C 42.259 . 1
503 . 49 LEU CG C 27.020 . 1
504 . 49 LEU CD1 C 24.932 . 1
505 . 49 LEU CD2 C 23.553 . 1
506 . 49 LEU N N 124.165 . 1
507 . 50 LYS H H 8.247 . 1
508 . 50 LYS HA H 4.304 . 1
509 . 50 LYS HB2 H 1.820 . 2
510 . 50 LYS HB3 H 1.749 . 2
511 . 50 LYS HG2 H 1.423 . 2
512 . 50 LYS HG3 H 1.383 . 2
513 . 50 LYS HD2 H 1.651 . 1
514 . 50 LYS HD3 H 1.651 . 1
515 . 50 LYS HE2 H 2.966 . 1
516 . 50 LYS HE3 H 2.966 . 1
517 . 50 LYS C C 176.471 . 1
518 . 50 LYS CA C 56.396 . 1
519 . 50 LYS CB C 33.009 . 1
520 . 50 LYS CG C 24.802 . 1
521 . 50 LYS CD C 29.059 . 1
522 . 50 LYS CE C 42.184 . 1
523 . 50 LYS N N 121.915 . 1
524 . 51 SER H H 8.216 . 1
525 . 51 SER HA H 4.443 . 1
526 . 51 SER HB2 H 3.837 . 1
527 . 51 SER HB3 H 3.837 . 1
528 . 51 SER C C 174.372 . 1
529 . 51 SER CA C 58.234 . 1
530 . 51 SER CB C 63.843 . 1
531 . 51 SER N N 116.707 . 1
532 . 52 VAL H H 8.095 . 1
533 . 52 VAL HA H 4.132 . 1
534 . 52 VAL HB H 2.059 . 1
535 . 52 VAL HG1 H 0.890 . 1
536 . 52 VAL HG2 H 0.899 . 1
537 . 52 VAL C C 175.653 . 1
538 . 52 VAL CA C 62.175 . 1
539 . 52 VAL CB C 32.884 . 1
540 . 52 VAL CG1 C 21.161 . 1
541 . 52 VAL CG2 C 20.545 . 1
542 . 52 VAL N N 121.876 . 1
543 . 53 LYS H H 8.287 . 1
544 . 53 LYS HA H 4.337 . 1
545 . 53 LYS HB2 H 1.732 . 2
546 . 53 LYS HB3 H 1.692 . 2
547 . 53 LYS HG2 H 1.385 . 2
548 . 53 LYS HG3 H 1.320 . 2
549 . 53 LYS HD2 H 1.650 . 1
550 . 53 LYS HD3 H 1.650 . 1
551 . 53 LYS HE2 H 2.949 . 1
552 . 53 LYS HE3 H 2.949 . 1
553 . 53 LYS C C 175.977 . 1
554 . 53 LYS CA C 56.104 . 1
555 . 53 LYS CB C 33.249 . 1
556 . 53 LYS CG C 24.663 . 1
557 . 53 LYS CD C 29.124 . 1
558 . 53 LYS CE C 42.159 . 1
559 . 53 LYS N N 125.221 . 1
560 . 54 ILE H H 8.276 . 1
561 . 54 ILE HA H 4.131 . 1
562 . 54 ILE HB H 1.785 . 1
563 . 54 ILE HG12 H 1.427 . 2
564 . 54 ILE HG13 H 1.135 . 2
565 . 54 ILE HG2 H 0.824 . 1
566 . 54 ILE HD1 H 0.796 . 1
567 . 54 ILE C C 175.664 . 1
568 . 54 ILE CA C 60.813 . 1
569 . 54 ILE CB C 38.654 . 1
570 . 54 ILE CG1 C 27.208 . 1
571 . 54 ILE CG2 C 17.536 . 1
572 . 54 ILE CD1 C 12.675 . 1
573 . 54 ILE N N 124.065 . 1
574 . 55 ILE H H 8.202 . 1
575 . 55 ILE HA H 4.238 . 1
576 . 55 ILE HB H 1.776 . 1
577 . 55 ILE HG12 H 1.413 . 2
578 . 55 ILE HG13 H 1.128 . 2
579 . 55 ILE HG2 H 0.827 . 1
580 . 55 ILE HD1 H 0.796 . 1
581 . 55 ILE C C 175.528 . 1
582 . 55 ILE CA C 60.372 . 1
583 . 55 ILE CB C 38.887 . 1
584 . 55 ILE CG1 C 27.170 . 1
585 . 55 ILE CG2 C 17.534 . 1
586 . 55 ILE CD1 C 12.678 . 1
587 . 55 ILE N N 125.467 . 1
588 . 56 ASP H H 8.512 . 1
589 . 56 ASP HA H 4.833 . 1
590 . 56 ASP HB2 H 2.715 . 2
591 . 56 ASP HB3 H 2.612 . 2
592 . 56 ASP C C 174.945 . 1
593 . 56 ASP CA C 52.337 . 1
594 . 56 ASP CB C 41.125 . 1
595 . 56 ASP N N 126.262 . 1
596 . 57 PRO HA H 4.348 . 1
597 . 57 PRO HB2 H 2.279 . 2
598 . 57 PRO HB3 H 1.938 . 2
599 . 57 PRO HD2 H 3.821 . 2
600 . 57 PRO HD3 H 3.791 . 2
601 . 57 PRO HG2 H 1.996 . 1
602 . 57 PRO HG3 H 1.996 . 1
603 . 57 PRO C C 177.327 . 1
604 . 57 PRO CA C 63.983 . 1
605 . 57 PRO CB C 32.163 . 1
606 . 57 PRO CG C 27.440 . 1
607 . 57 PRO CD C 50.933 . 1
608 . 58 GLU H H 8.360 . 1
609 . 58 GLU HA H 4.268 . 1
610 . 58 GLU HB2 H 2.094 . 2
611 . 58 GLU HB3 H 1.938 . 2
612 . 58 GLU HG2 H 2.232 . 1
613 . 58 GLU HG3 H 2.231 . 1
614 . 58 GLU C C 177.078 . 1
615 . 58 GLU CA C 56.604 . 1
616 . 58 GLU CB C 30.128 . 1
617 . 58 GLU CG C 36.641 . 1
618 . 58 GLU N N 118.772 . 1
619 . 59 GLY H H 8.198 . 1
620 . 59 GLY HA2 H 3.925 . 2
621 . 59 GLY HA3 H 3.898 . 2
622 . 59 GLY C C 174.151 . 1
623 . 59 GLY CA C 45.603 . 1
624 . 59 GLY N N 108.779 . 1
625 . 60 ASN H H 8.371 . 1
626 . 60 ASN HA H 4.701 . 1
627 . 60 ASN HB2 H 2.742 . 1
628 . 60 ASN HB3 H 2.742 . 1
629 . 60 ASN C C 174.852 . 1
630 . 60 ASN CA C 53.342 . 1
631 . 60 ASN CB C 39.264 . 1
632 . 60 ASN N N 118.785 . 1
633 . 60 ASN ND2 N 114.00 . 1
634 . 60 ASN HD21 H 7.740 . 1
635 . 60 ASN HD22 H 6.942 . 1
636 . 61 ASP H H 8.497 . 1
637 . 61 ASP HA H 4.625 . 1
638 . 61 ASP HB2 H 2.695 . 2
639 . 61 ASP HB3 H 2.585 . 2
640 . 61 ASP C C 176.205 . 1
641 . 61 ASP CA C 54.464 . 1
642 . 61 ASP CB C 41.033 . 1
643 . 61 ASP N N 120.744 . 1
644 . 62 VAL H H 8.152 . 1
645 . 62 VAL HA H 4.187 . 1
646 . 62 VAL HB H 2.112 . 1
647 . 62 VAL HG1 H 0.881 . 1
648 . 62 VAL HG2 H 0.887 . 1
649 . 62 VAL C C 176.036 . 1
650 . 62 VAL CA C 62.008 . 1
651 . 62 VAL CB C 32.472 . 1
652 . 62 VAL CG1 C 21.322 . 1
653 . 62 VAL CG2 C 20.361 . 1
654 . 62 VAL N N 120.268 . 1
655 . 63 THR H H 8.112 . 1
656 . 63 THR HA H 4.529 . 1
657 . 63 THR HB H 4.249 . 1
658 . 63 THR HG2 H 1.246 . 1
659 . 63 THR C C 173.122 . 1
660 . 63 THR CA C 60.430 . 1
661 . 63 THR CB C 69.420 . 1
662 . 63 THR CG2 C 21.757 . 1
663 . 63 THR N N 119.885 . 1
664 . 64 PRO HA H 4.332 . 1
665 . 64 PRO HB2 H 2.333 . 2
666 . 64 PRO HB3 H 1.905 . 2
667 . 64 PRO HG2 H 2.075 . 2
668 . 64 PRO HG3 H 2.000 . 2
669 . 64 PRO HD2 H 3.877 . 2
670 . 64 PRO HD3 H 3.743 . 2
671 . 64 PRO C C 177.770 . 1
672 . 64 PRO CA C 64.125 . 1
673 . 64 PRO CB C 32.118 . 1
674 . 64 PRO CG C 27.642 . 1
675 . 64 PRO CD C 51.021 . 1
676 . 65 GLU H H 8.532 . 1
677 . 65 GLU HA H 4.078 . 1
678 . 65 GLU HB2 H 1.989 . 1
679 . 65 GLU HB3 H 1.987 . 1
680 . 65 GLU HG2 H 2.278 . 1
681 . 65 GLU HG3 H 2.278 . 1
682 . 65 GLU C C 177.505 . 1
683 . 65 GLU CA C 58.128 . 1
684 . 65 GLU CB C 29.710 . 1
685 . 65 GLU CG C 36.317 . 1
686 . 65 GLU N N 120.003 . 1
687 . 66 LYS H H 8.153 . 1
688 . 66 LYS HA H 4.135 . 1
689 . 66 LYS HB2 H 1.820 . 1
690 . 66 LYS HB3 H 1.821 . 1
691 . 66 LYS C C 177.372 . 1
692 . 66 LYS CA C 57.660 . 1
693 . 66 LYS CB C 32.818 . 1
694 . 66 LYS CG C 25.019 . 1
695 . 66 LYS CD C 29.347 . 1
696 . 66 LYS CE C 42.221 . 1
697 . 66 LYS N N 120.951 . 1
698 . 67 LEU H H 7.914 . 1
699 . 67 LEU HA H 4.228 . 1
700 . 67 LEU HB2 H 1.647 . 2
701 . 67 LEU HB3 H 1.553 . 2
702 . 67 LEU C C 178.066 . 1
703 . 67 LEU CA C 55.956 . 1
704 . 67 LEU CB C 42.187 . 1
705 . 67 LEU CG C 27.008 . 1
706 . 67 LEU CD1 C 24.858 . 1
707 . 67 LEU CD2 C 23.468 . 1
708 . 67 LEU N N 120.837 . 1
709 . 68 LYS H H 8.065 . 1
710 . 68 LYS HA H 4.177 . 1
711 . 68 LYS HB2 H 1.807 . 1
712 . 68 LYS HB3 H 1.807 . 1
713 . 68 LYS C C 177.486 . 1
714 . 68 LYS CA C 57.385 . 1
715 . 68 LYS CB C 32.765 . 1
716 . 68 LYS CG C 24.983 . 1
717 . 68 LYS CD C 29.187 . 1
718 . 68 LYS CE C 42.062 . 1
719 . 68 LYS N N 120.978 . 1
720 . 69 ARG H H 8.163 . 1
721 . 69 ARG HA H 4.194 . 1
722 . 69 ARG HB2 H 1.841 . 1
723 . 69 ARG HB3 H 1.841 . 1
724 . 69 ARG C C 177.021 . 1
725 . 69 ARG CA C 57.168 . 1
726 . 69 ARG CB C 30.674 . 1
727 . 69 ARG CG C 27.248 . 1
728 . 69 ARG CD C 43.487 . 1
729 . 69 ARG N N 121.118 . 1
730 . 70 GLU H H 8.321 . 1
731 . 70 GLU HA H 4.216 . 1
732 . 70 GLU HB2 H 2.042 . 2
733 . 70 GLU HB3 H 1.981 . 2
734 . 70 GLU HG2 H 2.297 . 2
735 . 70 GLU HG3 H 2.231 . 2
736 . 70 GLU C C 177.024 . 1
737 . 70 GLU CA C 57.250 . 1
738 . 70 GLU CB C 30.116 . 1
739 . 70 GLU CG C 36.409 . 1
740 . 70 GLU N N 120.849 . 1
741 . 71 GLN H H 8.294 . 1
742 . 71 GLN HA H 4.271 . 1
743 . 71 GLN HB2 H 2.088 . 2
744 . 71 GLN HB3 H 2.028 . 2
745 . 71 GLN HG2 H 2.367 . 1
746 . 71 GLN HG3 H 2.367 . 1
747 . 71 GLN C C 176.555 . 1
748 . 71 GLN CA C 56.438 . 1
749 . 71 GLN CB C 29.244 . 1
750 . 71 GLN CG C 33.977 . 1
751 . 71 GLN N N 120.802 . 1
752 . 72 ARG H H 8.255 . 1
753 . 72 ARG HA H 4.255 . 1
754 . 72 ARG HB2 H 1.824 . 2
755 . 72 ARG HB3 H 1.768 . 2
756 . 72 ARG C C 176.412 . 1
757 . 72 ARG CA C 56.761 . 1
758 . 72 ARG CB C 30.699 . 1
759 . 72 ARG CG C 27.192 . 1
760 . 72 ARG CD C 43.412 . 1
761 . 72 ARG N N 121.374 . 1
762 . 73 ASN H H 8.408 . 1
763 . 73 ASN HA H 4.664 . 1
764 . 73 ASN C C 175.326 . 1
765 . 73 ASN CA C 53.535 . 1
766 . 73 ASN CB C 38.683 . 1
767 . 73 ASN N N 119.159 . 1
768 . 74 ASN H H 8.345 . 1
769 . 74 ASN HA H 4.647 . 1
770 . 74 ASN C C 175.381 . 1
771 . 74 ASN CA C 53.672 . 1
772 . 74 ASN CB C 38.640 . 1
773 . 74 ASN N N 119.584 . 1
774 . 75 LYS H H 8.207 . 1
775 . 75 LYS HA H 4.238 . 1
776 . 75 LYS HB2 H 1.815 . 2
777 . 75 LYS HB3 H 1.758 . 2
778 . 75 LYS C C 176.757 . 1
779 . 75 LYS CA C 56.819 . 1
780 . 75 LYS CB C 32.747 . 1
781 . 75 LYS CG C 24.853 . 1
782 . 75 LYS CD C 29.105 . 1
783 . 75 LYS CE C 42.177 . 1
784 . 75 LYS N N 120.827 . 1
785 . 76 LEU H H 8.037 . 1
786 . 76 LEU HA H 4.214 . 1
787 . 76 LEU HB2 H 1.572 . 2
788 . 76 LEU HB3 H 1.445 . 2
789 . 76 LEU C C 177.265 . 1
790 . 76 LEU CA C 55.578 . 1
791 . 76 LEU CB C 42.302 . 1
792 . 76 LEU CG C 26.918 . 1
793 . 76 LEU CD1 C 24.804 . 2
794 . 76 LEU CD2 C 23.373 . 2
795 . 76 LEU N N 121.524 . 1
796 . 77 HIS H H 8.262 . 1
797 . 77 HIS HA H 4.569 . 1
798 . 77 HIS C C 175.140 . 1
799 . 77 HIS CA C 56.227 . 1
800 . 77 HIS CB C 30.081 . 1
801 . 77 HIS N N 119.503 . 1
802 . 78 LEU H H 8.051 . 1
803 . 78 LEU HA H 4.249 . 1
804 . 78 LEU HB2 H 1.539 . 2
805 . 78 LEU HB3 H 1.446 . 2
806 . 78 LEU C C 177.301 . 1
807 . 78 LEU CA C 55.294 . 1
808 . 78 LEU CB C 42.386 . 1
809 . 78 LEU CG C 26.834 . 1
810 . 78 LEU CD1 C 25.046 . 2
811 . 78 LEU CD2 C 23.304 . 2
812 . 78 LEU N N 122.967 . 1
813 . 79 GLU H H 8.370 . 1
814 . 79 GLU HA H 4.156 . 1
815 . 79 GLU HB2 H 1.893 . 2
816 . 79 GLU HB3 H 1.852 . 2
817 . 79 GLU HG2 H 2.201 . 2
818 . 79 GLU HG3 H 2.126 . 2
819 . 79 GLU C C 176.293 . 1
820 . 79 GLU CA C 56.672 . 1
821 . 79 GLU CB C 30.244 . 1
822 . 79 GLU CG C 36.19 . 1
823 . 79 GLU N N 121.025 . 1
824 . 80 HIS H H 8.245 . 1
825 . 80 HIS HA H 4.578 . 1
826 . 80 HIS CA C 56.255 . 1
827 . 80 HIS CB C 30.448 . 1
828 . 80 HIS N N 119.746 . 1
829 . 81 HIS H H 8.079 . 1
830 . 81 HIS N N 125.425 . 1
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