data_5275
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 5275
_Entry.Title
;
The rhesus rotavirus sialic acid binding domain without ligand
;
_Entry.Type .
_Entry.Version_type original
_Entry.Submission_date 2002-02-06
_Entry.Accession_date 2002-02-06
_Entry.Last_release_date 2002-03-22
_Entry.Original_release_date 2002-03-22
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 2.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 P. Dormitzer . R. . 5275
2 Z.-Y. Sun . J. . 5275
3 G. Wagner . . . 5275
4 S. Harrison . C. . 5275
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 5275
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 1030 5275
'13C chemical shifts' 573 5275
'15N chemical shifts' 168 5275
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2002-03-22 2002-02-06 original author . 5275
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 5275
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 11867517
_Citation.Full_citation .
_Citation.Title
;
The rhesus rotavirus VP4 sialic acid binding domain has a galectin fold with a
novel carbohydrate binding site
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'EMBO J.'
_Citation.Journal_name_full .
_Citation.Journal_volume 21
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 885
_Citation.Page_last 897
_Citation.Year 2002
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 P. Dormitzer . R. . 5275 1
2 Z.-Y. Sun . J. . 5275 1
3 G. Wagner . . . 5275 1
4 S. Harrison . C. . 5275 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
rotavirus 5275 1
VP4 5275 1
VP8* 5275 1
'spike protein' 5275 1
'outer capsid' 5275 1
'sialic acid' 5275 1
hemagglutinin 5275 1
'cell attachment' 5275 1
'neutralization antigen' 5275 1
lectin 5275 1
'galectin fold' 5275 1
stop_
save_
save_ref_1
_Citation.Sf_category citations
_Citation.Sf_framecode ref_1
_Citation.Entry_ID 5275
_Citation.ID 2
_Citation.Class 'reference citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 11462006
_Citation.Full_citation
;
Dormitzer PR, Greenberg HB, Harrison SC.
Proteolysis of monomeric recombinant rotavirus VP4 yields an oligomeric VP5* core.
J Virol. 2001 Aug;75(16):7339-50.
;
_Citation.Title 'Proteolysis of monomeric recombinant rotavirus VP4 yields an oligomeric VP5* core.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Virol.'
_Citation.Journal_name_full 'Journal of virology'
_Citation.Journal_volume 75
_Citation.Journal_issue 16
_Citation.Journal_ASTM .
_Citation.Journal_ISSN 0022-538X
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 7339
_Citation.Page_last 7350
_Citation.Year 2001
_Citation.Details
;
Rotavirus particles are activated for cell entry by trypsin cleavage of the
outer capsid spike protein, VP4, into a hemagglutinin, VP8*, and a membrane
penetration protein, VP5*. We have purified rhesus rotavirus VP4, expressed in
baculovirus-infected insect cells. Purified VP4 is a soluble, elongated
monomer, as determined by analytical ultracentrifugation. Trypsin cleaves
purified VP4 at a number of sites that are protected on the virion and yields a
heterogeneous group of protease-resistant cores of VP5*. The most abundant
tryptic VP5* core is trimmed past the N terminus associated with activation for
virus entry into cells. Sequential digestion of purified VP4 with chymotrypsin
and trypsin generates homogeneous VP8* and VP5* cores (VP8CT and VP5CT,
respectively), which have the authentic trypsin cleavages in the activation
region. VP8CT is a soluble monomer composed primarily of beta-sheets. VP5CT
forms sodium dodecyl sulfate-resistant dimers. These results suggest that
trypsinization of rotavirus particles triggers a rearrangement in the VP5*
region of VP4 to yield the dimeric spikes observed in icosahedral image
reconstructions from electron cryomicroscopy of trypsinized rotavirus virions.
The solubility of VP5CT and of trypsinized rotavirus particles suggests that
the trypsin-triggered conformational change primes VP4 for a subsequent
rearrangement that accomplishes membrane penetration. The domains of VP4
defined by protease analysis contain all mapped neutralizing epitopes, sialic
acid binding residues, the heptad repeat region, and the membrane
permeabilization region. This biochemical analysis of VP4 provides
sequence-specific structural information that complements electron
cryomicroscopy data and defines targets and strategies for atomic-resolution
structural studies.
;
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 'P. R.' Dormitzer P. R. . 5275 2
2 'H. B.' Greenberg H. B. . 5275 2
3 'S. C.' Harrison S. C. . 5275 2
stop_
save_
save_ref_2
_Citation.Sf_category citations
_Citation.Sf_framecode ref_2
_Citation.Entry_ID 5275
_Citation.ID 3
_Citation.Class 'reference citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation
;
Guntert,P., Dotsch,V., Wider,G. and Wuthrich,K.
Processing of multi-dimensional NMR data with the new software PROSA.
J. Biomol. NMR, 2, 619-629 (1992).
;
_Citation.Title .
_Citation.Status .
_Citation.Type .
_Citation.Journal_abbrev .
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
save_
save_ref_3
_Citation.Sf_category citations
_Citation.Sf_framecode ref_3
_Citation.Entry_ID 5275
_Citation.ID 4
_Citation.Class 'reference citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation
;
Bartels,C., Xia,T.-H., Billeter,M., Guntert,P. and Wuthrich,K.
The program XEASY for computer-supported NMR spectral analysis of biological macromolecules.
J. Biomol. NMR, 5, 1-10 (1995).
;
_Citation.Title .
_Citation.Status .
_Citation.Type .
_Citation.Journal_abbrev .
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
save_
save_ref_4
_Citation.Sf_category citations
_Citation.Sf_framecode ref_4
_Citation.Entry_ID 5275
_Citation.ID 5
_Citation.Class 'reference citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 9367762
_Citation.Full_citation
;
Guntert P, Mumenthaler C, Wuthrich K.
Torsion angle dynamics for NMR structure calculation with the new program DYANA.
J Mol Biol. 1997 Oct 17;273(1):283-98.
;
_Citation.Title 'Torsion angle dynamics for NMR structure calculation with the new program DYANA.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Mol. Biol.'
_Citation.Journal_name_full 'Journal of molecular biology'
_Citation.Journal_volume 273
_Citation.Journal_issue 1
_Citation.Journal_ASTM .
_Citation.Journal_ISSN 0022-2836
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 283
_Citation.Page_last 298
_Citation.Year 1997
_Citation.Details
;
The new program DYANA (DYnamics Algorithm for Nmr Applications) for efficient
calculation of three-dimensional protein and nucleic acid structures from
distance constraints and torsion angle constraints collected by nuclear
magnetic resonance (NMR) experiments performs simulated annealing by molecular
dynamics in torsion angle space and uses a fast recursive algorithm to
integrate the equations of motions. Torsion angle dynamics can be more
efficient than molecular dynamics in Cartesian coordinate space because of the
reduced number of degrees of freedom and the concomitant absence of
high-frequency bond and angle vibrations, which allows for the use of longer
time-steps and/or higher temperatures in the structure calculation. It also
represents a significant advance over the variable target function method in
torsion angle space with the REDAC strategy used by the predecessor program
DIANA. DYANA computation times per accepted conformer in the "bundle" used to
represent the NMR structure compare favorably with those of other presently
available structure calculation algorithms, and are of the order of 160 seconds
for a protein of 165 amino acid residues when using a DEC Alpha 8400 5/300
computer. Test calculations starting from conformers with random torsion angle
values further showed that DYANA is capable of efficient calculation of
high-quality protein structures with up to 400 amino acid residues, and of
nucleic acid structures.
;
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 P. Guntert P. . . 5275 5
2 C. Mumenthaler C. . . 5275 5
3 K. Wuthrich K. . . 5275 5
stop_
save_
save_ref_5
_Citation.Sf_category citations
_Citation.Sf_framecode ref_5
_Citation.Entry_ID 5275
_Citation.ID 6
_Citation.Class 'reference citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 10212987
_Citation.Full_citation
;
Cornilescu G, Delaglio F, Bax A.
Protein backbone angle restraints from searching a database for chemical shift and sequence
homology.
J Biomol NMR. 1999 Mar;13(3):289-302.
;
_Citation.Title 'Protein backbone angle restraints from searching a database for chemical shift and sequence homology.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Biomol. NMR'
_Citation.Journal_name_full 'Journal of biomolecular NMR'
_Citation.Journal_volume 13
_Citation.Journal_issue 3
_Citation.Journal_ASTM .
_Citation.Journal_ISSN 0925-2738
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 289
_Citation.Page_last 302
_Citation.Year 1999
_Citation.Details
;
Chemical shifts of backbone atoms in proteins are exquisitely sensitive to local
conformation, and homologous proteins show quite similar patterns of secondary
chemical shifts. The inverse of this relation is used to search a database for
triplets of adjacent residues with secondary chemical shifts and sequence
similarity which provide the best match to the query triplet of interest. The
database contains 13C alpha, 13C beta, 13C', 1H alpha and 15N chemical shifts
for 20 proteins for which a high resolution X-ray structure is available. The
computer program TALOS was developed to search this database for strings of
residues with chemical shift and residue type homology. The relative importance
of the weighting factors attached to the secondary chemical shifts of the five
types of resonances relative to that of sequence similarity was optimized
empirically. TALOS yields the 10 triplets which have the closest similarity in
secondary chemical shift and amino acid sequence to those of the query
sequence. If the central residues in these 10 triplets exhibit similar phi and
psi backbone angles, their averages can reliably be used as angular restraints
for the protein whose structure is being studied. Tests carried out for
proteins of known structure indicate that the root-mean-square difference
(rmsd) between the output of TALOS and the X-ray derived backbone angles is
about 15 degrees. Approximately 3% of the predictions made by TALOS are found
to be in error.
;
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 G. Cornilescu G. . . 5275 6
2 F. Delaglio F. . . 5275 6
3 A. Bax A. . . 5275 6
stop_
save_
save_ref_6
_Citation.Sf_category citations
_Citation.Sf_framecode ref_6
_Citation.Entry_ID 5275
_Citation.ID 7
_Citation.Class 'reference citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 9757107
_Citation.Full_citation
;
Brunger AT, Adams PD, Clore GM, DeLano WL, Gros P, Grosse-Kunstleve RW, Jiang JS,
Kuszewski J, Nilges M, Pannu NS, Read RJ, Rice LM, Simonson T, Warren GL.
Crystallography and NMR system: A new software suite for macromolecular structure
Determination.
Acta Crystallogr D Biol Crystallogr. 1998 Sep;1(54): 905-21.
;
_Citation.Title 'Crystallography & NMR system: A new software suite for macromolecular structure determination.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Acta Crystallogr. D Biol. Crystallogr.'
_Citation.Journal_name_full 'Acta crystallographica. Section D, Biological crystallography'
_Citation.Journal_volume 54
_Citation.Journal_issue 'Pt 5'
_Citation.Journal_ASTM .
_Citation.Journal_ISSN 0907-4449
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 905
_Citation.Page_last 921
_Citation.Year 1998
_Citation.Details
;
A new software suite, called Crystallography & NMR System (CNS), has been
developed for macromolecular structure determination by X-ray crystallography
or solution nuclear magnetic resonance (NMR) spectroscopy. In contrast to
existing structure-determination programs, the architecture of CNS is highly
flexible, allowing for extension to other structure-determination methods, such
as electron microscopy and solid-state NMR spectroscopy. CNS has a hierarchical
structure: a high-level hypertext markup language (HTML) user interface,
task-oriented user input files, module files, a symbolic
structure-determination language (CNS language), and low-level source code.
Each layer is accessible to the user. The novice user may just use the HTML
interface, while the more advanced user may use any of the other layers. The
source code will be distributed, thus source-code modification is possible. The
CNS language is sufficiently powerful and flexible that many new algorithms can
be easily implemented in the CNS language without changes to the source code.
The CNS language allows the user to perform operations on data structures, such
as structure factors, electron-density maps, and atomic properties. The power
of the CNS language has been demonstrated by the implementation of a
comprehensive set of crystallographic procedures for phasing, density
modification and refinement. User-friendly task-oriented input files are
available for nearly all aspects of macromolecular structure determination by
X-ray crystallography and solution NMR.
;
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 'A. T.' Brunger A. T. . 5275 7
2 'P. D.' Adams P. D. . 5275 7
3 'G. M.' Clore G. M. . 5275 7
4 'W. L.' DeLano W. L. . 5275 7
5 P. Gros P. . . 5275 7
6 'R. W.' Grosse-Kunstleve R. W. . 5275 7
7 'J. S.' Jiang J. S. . 5275 7
8 J. Kuszewski J. . . 5275 7
9 M. Nilges M. . . 5275 7
10 'N. S.' Pannu N. S. . 5275 7
11 'R. J.' Read R. J. . 5275 7
12 'L. M.' Rice L. M. . 5275 7
13 T. Simonson T. . . 5275 7
14 'G. L.' Warren G. L. . 5275 7
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_VP8_core
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_VP8_core
_Assembly.Entry_ID 5275
_Assembly.ID 1
_Assembly.Name 'sialic acid binding domain of rhesus rotavirus VP4'
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'all free'
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Assembly_type.Type
_Assembly_type.Entry_ID
_Assembly_type.Assembly_ID
monomer 5275 1
stop_
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'sialic acid binding domain of rhesus rotavirus VP4' 1 $RRV_VP4 . . . native . . . . . 5275 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
. PDB 1KRI . . . . . . 5275 1
. PDB 1KQR . . . . . 'This crystal structure of the rhesus rotavirus sialic acid binding domain is in complex with 2-O-methyl-alpha-D-N-acetyl neuraminic acid. The crystallized protein includes residues E62 to L224, while the protein studied by NMR includes residues A46 to R231. In both the NMR and crystal structures, residues L65 to L224 are found to be ordered and are reported.' 5275 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
'sialic acid binding domain of rhesus rotavirus VP4' system 5275 1
'VP8* core' abbreviation 5275 1
stop_
loop_
_Assembly_bio_function.Biological_function
_Assembly_bio_function.Entry_ID
_Assembly_bio_function.Assembly_ID
'sialic acid binding protein' 5275 1
'viral cell-attachment protein' 5275 1
lectin 5275 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_RRV_VP4
_Entity.Sf_category entity
_Entity.Sf_framecode RRV_VP4
_Entity.Entry_ID 5275
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'rotavirus VP4'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
APVNWGPGETNDSTTVEPVL
DGPYQPTTFNPPVDYWMLLA
PTAAGVVVEGTNNTDRWLAT
ILVEPNVTSETRSYTLFGTQ
EQITIANASQTQWKFIDVVK
TTQNGSYSQYGPLQSTPKLY
AVMKHNGKIYTYNGETPNVT
TKYYSTTNYDSVNMTAFCDF
YIIPREEESTCTEYINNGLP
PIQNTR
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 186
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'all free'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 20876
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details
;
The fragment studied by NMR is an E. coli-expressed fragment equivalent to a
chymotrypsin and trypsin-resistant core of full length rhesus rotavirus VP4.
;
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-01-28
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 1KQR . "Crystal Structure Of The Rhesus Rotavirus Vp4 Sialic Acid Binding Domain In Complex With 2-o-methyl-alpha-d-n-acetyl Neuraminic" . . . . . 87.63 179 100.00 100.00 1.81e-113 . . . . 5275 1
2 no PDB 1KRI . "Nmr Solution Structures Of The Rhesus Rotavirus Vp4 Sialic Acid Binding Domain Without Ligand" . . . . . 100.00 186 100.00 100.00 8.80e-132 . . . . 5275 1
3 no PDB 2P3I . "Crystal Structure Of Rhesus Rotavirus Vp8 At 295k" . . . . . 86.56 161 100.00 100.00 1.58e-112 . . . . 5275 1
4 no PDB 2P3J . "Crystal Structure Of The Arg101ala Mutant Protein Of Rhesus Rotavirus Vp8" . . . . . 86.56 161 99.38 99.38 1.83e-111 . . . . 5275 1
5 no PDB 2P3K . "Crystal Structure Of Rhesus Rotavirus Vp8* At 100k" . . . . . 86.56 161 100.00 100.00 1.58e-112 . . . . 5275 1
6 no PDB 3IYU . "Atomic Model Of An Infectious Rotavirus Particle" . . . . . 100.00 776 100.00 100.00 6.75e-129 . . . . 5275 1
7 no PDB 3TB0 . "Crystal Structure Of Rhesus Rotavirus Vp8 In Complex With N- Glycolylneuraminic Acid" . . . . . 86.56 161 100.00 100.00 1.58e-112 . . . . 5275 1
8 no GB AAA47345 . "outer capsid protein VP3 [Rhesus rotavirus]" . . . . . 100.00 776 98.92 99.46 6.11e-127 . . . . 5275 1
9 no GB AAK52093 . "VP4 [Rhesus rotavirus]" . . . . . 100.00 776 100.00 100.00 6.75e-129 . . . . 5275 1
10 no GB AAQ22730 . "VP8* subunit of VP4 [Buffalo rotavirus A 10733]" . . . . . 100.00 293 97.31 98.39 4.53e-129 . . . . 5275 1
11 no GB ACC94315 . "spike protein [Rotavirus A]" . . . . . 100.00 776 98.92 100.00 7.15e-128 . . . . 5275 1
12 no GB AEK32854 . "VP4 [Rotavirus A]" . . . . . 100.00 776 100.00 100.00 6.75e-129 . . . . 5275 1
13 no SP P12473 . "RecName: Full=Outer capsid protein VP4; AltName: Full=Hemagglutinin; Contains: RecName: Full=Outer capsid protein VP8*; Contain" . . . . . 100.00 776 99.46 100.00 2.69e-128 . . . . 5275 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'rotavirus VP4' common 5275 1
'RRV VP4' abbreviation 5275 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 46 ALA . 5275 1
2 47 PRO . 5275 1
3 48 VAL . 5275 1
4 49 ASN . 5275 1
5 50 TRP . 5275 1
6 51 GLY . 5275 1
7 52 PRO . 5275 1
8 53 GLY . 5275 1
9 54 GLU . 5275 1
10 55 THR . 5275 1
11 56 ASN . 5275 1
12 57 ASP . 5275 1
13 58 SER . 5275 1
14 59 THR . 5275 1
15 60 THR . 5275 1
16 61 VAL . 5275 1
17 62 GLU . 5275 1
18 63 PRO . 5275 1
19 64 VAL . 5275 1
20 65 LEU . 5275 1
21 66 ASP . 5275 1
22 67 GLY . 5275 1
23 68 PRO . 5275 1
24 69 TYR . 5275 1
25 70 GLN . 5275 1
26 71 PRO . 5275 1
27 72 THR . 5275 1
28 73 THR . 5275 1
29 74 PHE . 5275 1
30 75 ASN . 5275 1
31 76 PRO . 5275 1
32 77 PRO . 5275 1
33 78 VAL . 5275 1
34 79 ASP . 5275 1
35 80 TYR . 5275 1
36 81 TRP . 5275 1
37 82 MET . 5275 1
38 83 LEU . 5275 1
39 84 LEU . 5275 1
40 85 ALA . 5275 1
41 86 PRO . 5275 1
42 87 THR . 5275 1
43 88 ALA . 5275 1
44 89 ALA . 5275 1
45 90 GLY . 5275 1
46 91 VAL . 5275 1
47 92 VAL . 5275 1
48 93 VAL . 5275 1
49 94 GLU . 5275 1
50 95 GLY . 5275 1
51 96 THR . 5275 1
52 97 ASN . 5275 1
53 98 ASN . 5275 1
54 99 THR . 5275 1
55 100 ASP . 5275 1
56 101 ARG . 5275 1
57 102 TRP . 5275 1
58 103 LEU . 5275 1
59 104 ALA . 5275 1
60 105 THR . 5275 1
61 106 ILE . 5275 1
62 107 LEU . 5275 1
63 108 VAL . 5275 1
64 109 GLU . 5275 1
65 110 PRO . 5275 1
66 111 ASN . 5275 1
67 112 VAL . 5275 1
68 113 THR . 5275 1
69 114 SER . 5275 1
70 115 GLU . 5275 1
71 116 THR . 5275 1
72 117 ARG . 5275 1
73 118 SER . 5275 1
74 119 TYR . 5275 1
75 120 THR . 5275 1
76 121 LEU . 5275 1
77 122 PHE . 5275 1
78 123 GLY . 5275 1
79 124 THR . 5275 1
80 125 GLN . 5275 1
81 126 GLU . 5275 1
82 127 GLN . 5275 1
83 128 ILE . 5275 1
84 129 THR . 5275 1
85 130 ILE . 5275 1
86 131 ALA . 5275 1
87 132 ASN . 5275 1
88 133 ALA . 5275 1
89 134 SER . 5275 1
90 135 GLN . 5275 1
91 136 THR . 5275 1
92 137 GLN . 5275 1
93 138 TRP . 5275 1
94 139 LYS . 5275 1
95 140 PHE . 5275 1
96 141 ILE . 5275 1
97 142 ASP . 5275 1
98 143 VAL . 5275 1
99 144 VAL . 5275 1
100 145 LYS . 5275 1
101 146 THR . 5275 1
102 147 THR . 5275 1
103 148 GLN . 5275 1
104 149 ASN . 5275 1
105 150 GLY . 5275 1
106 151 SER . 5275 1
107 152 TYR . 5275 1
108 153 SER . 5275 1
109 154 GLN . 5275 1
110 155 TYR . 5275 1
111 156 GLY . 5275 1
112 157 PRO . 5275 1
113 158 LEU . 5275 1
114 159 GLN . 5275 1
115 160 SER . 5275 1
116 161 THR . 5275 1
117 162 PRO . 5275 1
118 163 LYS . 5275 1
119 164 LEU . 5275 1
120 165 TYR . 5275 1
121 166 ALA . 5275 1
122 167 VAL . 5275 1
123 168 MET . 5275 1
124 169 LYS . 5275 1
125 170 HIS . 5275 1
126 171 ASN . 5275 1
127 172 GLY . 5275 1
128 173 LYS . 5275 1
129 174 ILE . 5275 1
130 175 TYR . 5275 1
131 176 THR . 5275 1
132 177 TYR . 5275 1
133 178 ASN . 5275 1
134 179 GLY . 5275 1
135 180 GLU . 5275 1
136 181 THR . 5275 1
137 182 PRO . 5275 1
138 183 ASN . 5275 1
139 184 VAL . 5275 1
140 185 THR . 5275 1
141 186 THR . 5275 1
142 187 LYS . 5275 1
143 188 TYR . 5275 1
144 189 TYR . 5275 1
145 190 SER . 5275 1
146 191 THR . 5275 1
147 192 THR . 5275 1
148 193 ASN . 5275 1
149 194 TYR . 5275 1
150 195 ASP . 5275 1
151 196 SER . 5275 1
152 197 VAL . 5275 1
153 198 ASN . 5275 1
154 199 MET . 5275 1
155 200 THR . 5275 1
156 201 ALA . 5275 1
157 202 PHE . 5275 1
158 203 CYS . 5275 1
159 204 ASP . 5275 1
160 205 PHE . 5275 1
161 206 TYR . 5275 1
162 207 ILE . 5275 1
163 208 ILE . 5275 1
164 209 PRO . 5275 1
165 210 ARG . 5275 1
166 211 GLU . 5275 1
167 212 GLU . 5275 1
168 213 GLU . 5275 1
169 214 SER . 5275 1
170 215 THR . 5275 1
171 216 CYS . 5275 1
172 217 THR . 5275 1
173 218 GLU . 5275 1
174 219 TYR . 5275 1
175 220 ILE . 5275 1
176 221 ASN . 5275 1
177 222 ASN . 5275 1
178 223 GLY . 5275 1
179 224 LEU . 5275 1
180 225 PRO . 5275 1
181 226 PRO . 5275 1
182 227 ILE . 5275 1
183 228 GLN . 5275 1
184 229 ASN . 5275 1
185 230 THR . 5275 1
186 231 ARG . 5275 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. ALA 1 1 5275 1
. PRO 2 2 5275 1
. VAL 3 3 5275 1
. ASN 4 4 5275 1
. TRP 5 5 5275 1
. GLY 6 6 5275 1
. PRO 7 7 5275 1
. GLY 8 8 5275 1
. GLU 9 9 5275 1
. THR 10 10 5275 1
. ASN 11 11 5275 1
. ASP 12 12 5275 1
. SER 13 13 5275 1
. THR 14 14 5275 1
. THR 15 15 5275 1
. VAL 16 16 5275 1
. GLU 17 17 5275 1
. PRO 18 18 5275 1
. VAL 19 19 5275 1
. LEU 20 20 5275 1
. ASP 21 21 5275 1
. GLY 22 22 5275 1
. PRO 23 23 5275 1
. TYR 24 24 5275 1
. GLN 25 25 5275 1
. PRO 26 26 5275 1
. THR 27 27 5275 1
. THR 28 28 5275 1
. PHE 29 29 5275 1
. ASN 30 30 5275 1
. PRO 31 31 5275 1
. PRO 32 32 5275 1
. VAL 33 33 5275 1
. ASP 34 34 5275 1
. TYR 35 35 5275 1
. TRP 36 36 5275 1
. MET 37 37 5275 1
. LEU 38 38 5275 1
. LEU 39 39 5275 1
. ALA 40 40 5275 1
. PRO 41 41 5275 1
. THR 42 42 5275 1
. ALA 43 43 5275 1
. ALA 44 44 5275 1
. GLY 45 45 5275 1
. VAL 46 46 5275 1
. VAL 47 47 5275 1
. VAL 48 48 5275 1
. GLU 49 49 5275 1
. GLY 50 50 5275 1
. THR 51 51 5275 1
. ASN 52 52 5275 1
. ASN 53 53 5275 1
. THR 54 54 5275 1
. ASP 55 55 5275 1
. ARG 56 56 5275 1
. TRP 57 57 5275 1
. LEU 58 58 5275 1
. ALA 59 59 5275 1
. THR 60 60 5275 1
. ILE 61 61 5275 1
. LEU 62 62 5275 1
. VAL 63 63 5275 1
. GLU 64 64 5275 1
. PRO 65 65 5275 1
. ASN 66 66 5275 1
. VAL 67 67 5275 1
. THR 68 68 5275 1
. SER 69 69 5275 1
. GLU 70 70 5275 1
. THR 71 71 5275 1
. ARG 72 72 5275 1
. SER 73 73 5275 1
. TYR 74 74 5275 1
. THR 75 75 5275 1
. LEU 76 76 5275 1
. PHE 77 77 5275 1
. GLY 78 78 5275 1
. THR 79 79 5275 1
. GLN 80 80 5275 1
. GLU 81 81 5275 1
. GLN 82 82 5275 1
. ILE 83 83 5275 1
. THR 84 84 5275 1
. ILE 85 85 5275 1
. ALA 86 86 5275 1
. ASN 87 87 5275 1
. ALA 88 88 5275 1
. SER 89 89 5275 1
. GLN 90 90 5275 1
. THR 91 91 5275 1
. GLN 92 92 5275 1
. TRP 93 93 5275 1
. LYS 94 94 5275 1
. PHE 95 95 5275 1
. ILE 96 96 5275 1
. ASP 97 97 5275 1
. VAL 98 98 5275 1
. VAL 99 99 5275 1
. LYS 100 100 5275 1
. THR 101 101 5275 1
. THR 102 102 5275 1
. GLN 103 103 5275 1
. ASN 104 104 5275 1
. GLY 105 105 5275 1
. SER 106 106 5275 1
. TYR 107 107 5275 1
. SER 108 108 5275 1
. GLN 109 109 5275 1
. TYR 110 110 5275 1
. GLY 111 111 5275 1
. PRO 112 112 5275 1
. LEU 113 113 5275 1
. GLN 114 114 5275 1
. SER 115 115 5275 1
. THR 116 116 5275 1
. PRO 117 117 5275 1
. LYS 118 118 5275 1
. LEU 119 119 5275 1
. TYR 120 120 5275 1
. ALA 121 121 5275 1
. VAL 122 122 5275 1
. MET 123 123 5275 1
. LYS 124 124 5275 1
. HIS 125 125 5275 1
. ASN 126 126 5275 1
. GLY 127 127 5275 1
. LYS 128 128 5275 1
. ILE 129 129 5275 1
. TYR 130 130 5275 1
. THR 131 131 5275 1
. TYR 132 132 5275 1
. ASN 133 133 5275 1
. GLY 134 134 5275 1
. GLU 135 135 5275 1
. THR 136 136 5275 1
. PRO 137 137 5275 1
. ASN 138 138 5275 1
. VAL 139 139 5275 1
. THR 140 140 5275 1
. THR 141 141 5275 1
. LYS 142 142 5275 1
. TYR 143 143 5275 1
. TYR 144 144 5275 1
. SER 145 145 5275 1
. THR 146 146 5275 1
. THR 147 147 5275 1
. ASN 148 148 5275 1
. TYR 149 149 5275 1
. ASP 150 150 5275 1
. SER 151 151 5275 1
. VAL 152 152 5275 1
. ASN 153 153 5275 1
. MET 154 154 5275 1
. THR 155 155 5275 1
. ALA 156 156 5275 1
. PHE 157 157 5275 1
. CYS 158 158 5275 1
. ASP 159 159 5275 1
. PHE 160 160 5275 1
. TYR 161 161 5275 1
. ILE 162 162 5275 1
. ILE 163 163 5275 1
. PRO 164 164 5275 1
. ARG 165 165 5275 1
. GLU 166 166 5275 1
. GLU 167 167 5275 1
. GLU 168 168 5275 1
. SER 169 169 5275 1
. THR 170 170 5275 1
. CYS 171 171 5275 1
. THR 172 172 5275 1
. GLU 173 173 5275 1
. TYR 174 174 5275 1
. ILE 175 175 5275 1
. ASN 176 176 5275 1
. ASN 177 177 5275 1
. GLY 178 178 5275 1
. LEU 179 179 5275 1
. PRO 180 180 5275 1
. PRO 181 181 5275 1
. ILE 182 182 5275 1
. GLN 183 183 5275 1
. ASN 184 184 5275 1
. THR 185 185 5275 1
. ARG 186 186 5275 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 5275
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $RRV_VP4 . 10969 organism . 'Rhesus rotavirus' 'rhesus rotavirus' . . Viruses . Rhesus rotavirus . . . . . . . . . . . . . . . . 'gene segment 4' . . . . 5275 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source
_Entity_experimental_src_list.Entry_ID 5275
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $RRV_VP4 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL 21' . . . . . . . . . . . . plasmid . . pGEX-VP8(46-231) . . .
;
The studied molecule was expressed as a fusion protein with
glutathione-S-transferase, from which it was cleaved by digestion with
trypsin.
; . . 5275 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 5275
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'rotavirus VP4' [U-15N] . . 1 $RRV_VP4 . . 1 . . mM . . . . 5275 1
2 NaPO4 . . . . . . . 20 . . mM . . . . 5275 1
3 NaCl . . . . . . . 10 . . mM . . . . 5275 1
4 'Na azide' . . . . . . . 0.02 . . % . . . . 5275 1
5 D2O . . . . . . . 10 . . % . . . . 5275 1
6 H2O . . . . . . . 90 . . % . . . . 5275 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 5275
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'rotavirus VP4' '[U-15N; U-13C; U-2H]' . . 1 $RRV_VP4 . . 1 . . mM . . . . 5275 2
2 NaPO4 . . . . . . . 20 . . mM . . . . 5275 2
3 NaCl . . . . . . . 10 . . mM . . . . 5275 2
4 'Na azide' . . . . . . . 0.02 . . % . . . . 5275 2
5 D2O . . . . . . . 10 . . % . . . . 5275 2
6 H2O . . . . . . . 90 . . % . . . . 5275 2
stop_
save_
save_sample_3_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3_1
_Sample.Entry_ID 5275
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'rotavirus VP4' [U-15N]-Ile . . 1 $RRV_VP4 . . 0.1 . . mM . . . . 5275 3
2 NaPO4 . . . . . . . 20 . . mM . . . . 5275 3
3 NaCl . . . . . . . 10 . . mM . . . . 5275 3
4 'Na azide' . . . . . . . 0.02 . . % . . . . 5275 3
5 D2O . . . . . . . 10 . . % . . . . 5275 3
6 H2O . . . . . . . 90 . . % . . . . 5275 3
stop_
save_
save_sample_3_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3_2
_Sample.Entry_ID 5275
_Sample.ID 4
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'rotavirus VP4' [U-15N]-Leu . . 1 $RRV_VP4 . . 0.1 . . mM . . . . 5275 4
2 NaPO4 . . . . . . . 20 . . mM . . . . 5275 4
3 NaCl . . . . . . . 10 . . mM . . . . 5275 4
4 'Na azide' . . . . . . . 0.02 . . % . . . . 5275 4
5 D2O . . . . . . . 10 . . % . . . . 5275 4
6 H2O . . . . . . . 90 . . % . . . . 5275 4
stop_
save_
save_sample_3_3
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3_3
_Sample.Entry_ID 5275
_Sample.ID 5
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'rotavirus VP4' [U-15N]-Phe . . 1 $RRV_VP4 . . 0.1 . . mM . . . . 5275 5
2 NaPO4 . . . . . . . 20 . . mM . . . . 5275 5
3 NaCl . . . . . . . 10 . . mM . . . . 5275 5
4 'Na azide' . . . . . . . 0.02 . . % . . . . 5275 5
5 D2O . . . . . . . 10 . . % . . . . 5275 5
6 H2O . . . . . . . 90 . . % . . . . 5275 5
stop_
save_
save_sample_3_4
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3_4
_Sample.Entry_ID 5275
_Sample.ID 6
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'rotavirus VP4' [U-15N]-Tyr . . 1 $RRV_VP4 . . 0.1 . . mM . . . . 5275 6
2 NaPO4 . . . . . . . 20 . . mM . . . . 5275 6
3 NaCl . . . . . . . 10 . . mM . . . . 5275 6
4 'Na azide' . . . . . . . 0.02 . . % . . . . 5275 6
5 D2O . . . . . . . 10 . . % . . . . 5275 6
6 H2O . . . . . . . 90 . . % . . . . 5275 6
stop_
save_
save_sample_3_5
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3_5
_Sample.Entry_ID 5275
_Sample.ID 7
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'rotavirus VP4' [U-15N]-Val . . 1 $RRV_VP4 . . 0.1 . . mM . . . . 5275 7
2 NaPO4 . . . . . . . 20 . . mM . . . . 5275 7
3 NaCl . . . . . . . 10 . . mM . . . . 5275 7
4 'Na azide' . . . . . . . 0.02 . . % . . . . 5275 7
5 D2O . . . . . . . 10 . . % . . . . 5275 7
stop_
save_
save_sample_4
_Sample.Sf_category sample
_Sample.Sf_framecode sample_4
_Sample.Entry_ID 5275
_Sample.ID 8
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'rotavirus VP4' '[U-15N; U-13C]' . . 1 $RRV_VP4 . . 1 . . mM . . . . 5275 8
2 NaPO4 . . . . . . . 20 . . mM . . . . 5275 8
3 NaCl . . . . . . . 10 . . mM . . . . 5275 8
4 'Na azide' . . . . . . . 0.02 . . % . . . . 5275 8
5 D2O . . . . . . . 10 . . % . . . . 5275 8
6 H2O . . . . . . . 90 . . % . . . . 5275 8
stop_
save_
save_sample_5
_Sample.Sf_category sample
_Sample.Sf_framecode sample_5
_Sample.Entry_ID 5275
_Sample.ID 9
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'rotavirus VP4' [U-13C] . . 1 $RRV_VP4 . . 1 . . mM . . . . 5275 9
2 NaPO4 . . . . . . . 20 . . mM . . . . 5275 9
3 NaCl . . . . . . . 10 . . mM . . . . 5275 9
4 'Na azide' . . . . . . . 0.02 . . % . . . . 5275 9
5 D2O . . . . . . . 100 . . % . . . . 5275 9
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_cond_1
_Sample_condition_list.Entry_ID 5275
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 7.0 0.2 pH 5275 1
temperature 298 1 K 5275 1
'ionic strength' 0.030 . M 5275 1
pressure 1 . atm 5275 1
stop_
save_
############################
# Computer software used #
############################
save_PROSA
_Software.Sf_category software
_Software.Sf_framecode PROSA
_Software.Entry_ID 5275
_Software.ID 1
_Software.Name PROSA
_Software.Version 3.7
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 5275 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
3 $ref_2 5275 1
stop_
save_
save_XEASY
_Software.Sf_category software
_Software.Sf_framecode XEASY
_Software.Entry_ID 5275
_Software.ID 2
_Software.Name XEASY
_Software.Version 1.3.13
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 5275 2
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
4 $ref_3 5275 2
stop_
save_
save_DYANA
_Software.Sf_category software
_Software.Sf_framecode DYANA
_Software.Entry_ID 5275
_Software.ID 3
_Software.Name DYANA
_Software.Version 1.5
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 5275 3
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
5 $ref_4 5275 3
stop_
save_
save_TALOS
_Software.Sf_category software
_Software.Sf_framecode TALOS
_Software.Entry_ID 5275
_Software.ID 4
_Software.Name TALOS
_Software.Version .
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 5275 4
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
6 $ref_5 5275 4
stop_
save_
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 5275
_Software.ID 5
_Software.Name CNS
_Software.Version 1.0
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 5275 5
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
7 $ref_6 5275 5
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 5275
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 750
save_
save_NMR_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_2
_NMR_spectrometer.Entry_ID 5275
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AVANCE
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_3
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_3
_NMR_spectrometer.Entry_ID 5275
_NMR_spectrometer.ID 3
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model UNITY
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 5275
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 NMR_spectrometer_1 Varian INOVA . 750 . . . 5275 1
2 NMR_spectrometer_2 Bruker AVANCE . 600 . . . 5275 1
3 NMR_spectrometer_3 Varian UNITY . 500 . . . 5275 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 5275
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 HSQC . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5275 1
2 HNCA . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5275 1
3 HN(CO)CA . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5275 1
4 HNCACB . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5275 1
5 HN(CO)CACB . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5275 1
6 HNCO . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5275 1
7 HN(CA)CO . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5275 1
8 HCCCONH . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5275 1
9 HNHA . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5275 1
10 HNHB . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5275 1
11 '3D 15N-separated TOCHSQC' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5275 1
12 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5275 1
13 '13C HSQC' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5275 1
14 '2D D2O-TOCSY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5275 1
15 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5275 1
16 '3D 15N-separated NOEHSQC' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5275 1
17 '2D D2O-NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5275 1
stop_
save_
save_NMR_spec_expt__0_1
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1
_NMR_spec_expt.Entry_ID 5275
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name HSQC
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_2
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2
_NMR_spec_expt.Entry_ID 5275
_NMR_spec_expt.ID 2
_NMR_spec_expt.Name HNCA
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_3
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3
_NMR_spec_expt.Entry_ID 5275
_NMR_spec_expt.ID 3
_NMR_spec_expt.Name HN(CO)CA
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_4
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4
_NMR_spec_expt.Entry_ID 5275
_NMR_spec_expt.ID 4
_NMR_spec_expt.Name HNCACB
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_5
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5
_NMR_spec_expt.Entry_ID 5275
_NMR_spec_expt.ID 5
_NMR_spec_expt.Name HN(CO)CACB
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_6
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6
_NMR_spec_expt.Entry_ID 5275
_NMR_spec_expt.ID 6
_NMR_spec_expt.Name HNCO
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_7
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7
_NMR_spec_expt.Entry_ID 5275
_NMR_spec_expt.ID 7
_NMR_spec_expt.Name HN(CA)CO
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_8
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8
_NMR_spec_expt.Entry_ID 5275
_NMR_spec_expt.ID 8
_NMR_spec_expt.Name HCCCONH
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_10
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10
_NMR_spec_expt.Entry_ID 5275
_NMR_spec_expt.ID 9
_NMR_spec_expt.Name HNHA
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_11
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11
_NMR_spec_expt.Entry_ID 5275
_NMR_spec_expt.ID 10
_NMR_spec_expt.Name HNHB
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_12
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12
_NMR_spec_expt.Entry_ID 5275
_NMR_spec_expt.ID 11
_NMR_spec_expt.Name '3D 15N-separated TOCHSQC'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_13
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13
_NMR_spec_expt.Entry_ID 5275
_NMR_spec_expt.ID 12
_NMR_spec_expt.Name HCCH-TOCSY
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_14
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14
_NMR_spec_expt.Entry_ID 5275
_NMR_spec_expt.ID 13
_NMR_spec_expt.Name '13C HSQC'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_15
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15
_NMR_spec_expt.Entry_ID 5275
_NMR_spec_expt.ID 14
_NMR_spec_expt.Name '2D D2O-TOCSY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_16
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16
_NMR_spec_expt.Entry_ID 5275
_NMR_spec_expt.ID 15
_NMR_spec_expt.Name '3D 13C-separated NOESY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_17
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17
_NMR_spec_expt.Entry_ID 5275
_NMR_spec_expt.ID 16
_NMR_spec_expt.Name '3D 15N-separated NOEHSQC'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_18
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_18
_NMR_spec_expt.Entry_ID 5275
_NMR_spec_expt.ID 17
_NMR_spec_expt.Name '2D D2O-NOESY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference
_Chem_shift_reference.Entry_ID 5275
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 5275 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5275 1
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5275 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5275
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_1 . 5275 1
. . 2 $sample_2 . 5275 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 20 20 LEU N N 15 123.347 0.000 . 1 . . . . . . . . 5275 1
2 . 1 1 20 20 LEU H H 1 8.012 0.000 . 1 . . . . . . . . 5275 1
3 . 1 1 20 20 LEU CA C 13 54.079 0.000 . 1 . . . . . . . . 5275 1
4 . 1 1 20 20 LEU HA H 1 4.641 0.000 . 1 . . . . . . . . 5275 1
5 . 1 1 20 20 LEU CB C 13 43.133 0.000 . 1 . . . . . . . . 5275 1
6 . 1 1 20 20 LEU HB2 H 1 1.523 0.000 . 2 . . . . . . . . 5275 1
7 . 1 1 20 20 LEU HB3 H 1 1.722 0.000 . 2 . . . . . . . . 5275 1
8 . 1 1 20 20 LEU CG C 13 26.944 0.000 . 1 . . . . . . . . 5275 1
9 . 1 1 20 20 LEU HG H 1 1.476 0.000 . 1 . . . . . . . . 5275 1
10 . 1 1 20 20 LEU HD11 H 1 0.607 0.000 . 1 . . . . . . . . 5275 1
11 . 1 1 20 20 LEU HD12 H 1 0.607 0.000 . 1 . . . . . . . . 5275 1
12 . 1 1 20 20 LEU HD13 H 1 0.607 0.000 . 1 . . . . . . . . 5275 1
13 . 1 1 20 20 LEU HD21 H 1 0.522 0.000 . 1 . . . . . . . . 5275 1
14 . 1 1 20 20 LEU HD22 H 1 0.522 0.000 . 1 . . . . . . . . 5275 1
15 . 1 1 20 20 LEU HD23 H 1 0.522 0.000 . 1 . . . . . . . . 5275 1
16 . 1 1 20 20 LEU CD1 C 13 24.187 0.000 . 1 . . . . . . . . 5275 1
17 . 1 1 20 20 LEU CD2 C 13 24.531 0.000 . 1 . . . . . . . . 5275 1
18 . 1 1 20 20 LEU C C 13 175.445 0.000 . 1 . . . . . . . . 5275 1
19 . 1 1 21 21 ASP N N 15 126.414 0.000 . 1 . . . . . . . . 5275 1
20 . 1 1 21 21 ASP H H 1 8.896 0.000 . 1 . . . . . . . . 5275 1
21 . 1 1 21 21 ASP CA C 13 53.424 0.000 . 1 . . . . . . . . 5275 1
22 . 1 1 21 21 ASP HA H 1 5.007 0.000 . 1 . . . . . . . . 5275 1
23 . 1 1 21 21 ASP CB C 13 41.394 0.000 . 1 . . . . . . . . 5275 1
24 . 1 1 21 21 ASP HB2 H 1 3.685 0.000 . 2 . . . . . . . . 5275 1
25 . 1 1 21 21 ASP HB3 H 1 2.834 0.000 . 2 . . . . . . . . 5275 1
26 . 1 1 21 21 ASP C C 13 174.711 0.000 . 1 . . . . . . . . 5275 1
27 . 1 1 22 22 GLY N N 15 112.028 0.000 . 1 . . . . . . . . 5275 1
28 . 1 1 22 22 GLY H H 1 7.863 0.000 . 1 . . . . . . . . 5275 1
29 . 1 1 22 22 GLY CA C 13 44.362 0.000 . 1 . . . . . . . . 5275 1
30 . 1 1 22 22 GLY HA2 H 1 4.347 0.000 . 2 . . . . . . . . 5275 1
31 . 1 1 22 22 GLY HA3 H 1 2.632 0.000 . 2 . . . . . . . . 5275 1
32 . 1 1 23 23 PRO CA C 13 60.988 0.000 . 1 . . . . . . . . 5275 1
33 . 1 1 23 23 PRO HA H 1 3.392 0.000 . 1 . . . . . . . . 5275 1
34 . 1 1 23 23 PRO CB C 13 33.662 0.000 . 1 . . . . . . . . 5275 1
35 . 1 1 23 23 PRO HB2 H 1 1.612 0.000 . 2 . . . . . . . . 5275 1
36 . 1 1 23 23 PRO HB3 H 1 1.481 0.000 . 2 . . . . . . . . 5275 1
37 . 1 1 23 23 PRO C C 13 175.372 0.000 . 1 . . . . . . . . 5275 1
38 . 1 1 24 24 TYR N N 15 123.930 0.000 . 1 . . . . . . . . 5275 1
39 . 1 1 24 24 TYR H H 1 9.257 0.000 . 1 . . . . . . . . 5275 1
40 . 1 1 24 24 TYR CA C 13 56.651 0.000 . 1 . . . . . . . . 5275 1
41 . 1 1 24 24 TYR HA H 1 4.098 0.000 . 1 . . . . . . . . 5275 1
42 . 1 1 24 24 TYR CB C 13 38.916 0.000 . 1 . . . . . . . . 5275 1
43 . 1 1 24 24 TYR HB2 H 1 2.168 0.000 . 2 . . . . . . . . 5275 1
44 . 1 1 24 24 TYR HB3 H 1 0.466 0.000 . 2 . . . . . . . . 5275 1
45 . 1 1 24 24 TYR HE1 H 1 6.625 0.000 . 1 . . . . . . . . 5275 1
46 . 1 1 24 24 TYR HE2 H 1 6.625 0.000 . 1 . . . . . . . . 5275 1
47 . 1 1 24 24 TYR HD1 H 1 6.783 0.000 . 1 . . . . . . . . 5275 1
48 . 1 1 24 24 TYR HD2 H 1 6.783 0.000 . 1 . . . . . . . . 5275 1
49 . 1 1 24 24 TYR C C 13 174.205 0.000 . 1 . . . . . . . . 5275 1
50 . 1 1 25 25 GLN N N 15 118.252 0.000 . 1 . . . . . . . . 5275 1
51 . 1 1 25 25 GLN H H 1 7.672 0.000 . 1 . . . . . . . . 5275 1
52 . 1 1 25 25 GLN CA C 13 53.950 0.000 . 1 . . . . . . . . 5275 1
53 . 1 1 25 25 GLN HA H 1 4.610 0.000 . 1 . . . . . . . . 5275 1
54 . 1 1 25 25 GLN CB C 13 27.906 0.000 . 1 . . . . . . . . 5275 1
55 . 1 1 25 25 GLN HB2 H 1 1.884 0.000 . 2 . . . . . . . . 5275 1
56 . 1 1 25 25 GLN HB3 H 1 2.128 0.000 . 2 . . . . . . . . 5275 1
57 . 1 1 25 25 GLN CG C 13 34.176 0.000 . 1 . . . . . . . . 5275 1
58 . 1 1 25 25 GLN HG2 H 1 2.444 0.000 . 1 . . . . . . . . 5275 1
59 . 1 1 25 25 GLN HG3 H 1 2.444 0.000 . 1 . . . . . . . . 5275 1
60 . 1 1 25 25 GLN NE2 N 15 113.354 0.000 . 1 . . . . . . . . 5275 1
61 . 1 1 25 25 GLN HE21 H 1 6.761 0.000 . 2 . . . . . . . . 5275 1
62 . 1 1 25 25 GLN HE22 H 1 7.668 0.000 . 2 . . . . . . . . 5275 1
63 . 1 1 25 25 GLN C C 13 173.390 0.000 . 1 . . . . . . . . 5275 1
64 . 1 1 26 26 PRO CA C 13 64.515 0.000 . 1 . . . . . . . . 5275 1
65 . 1 1 26 26 PRO HA H 1 4.058 0.000 . 1 . . . . . . . . 5275 1
66 . 1 1 26 26 PRO CB C 13 32.113 0.000 . 1 . . . . . . . . 5275 1
67 . 1 1 26 26 PRO HB2 H 1 2.389 0.000 . 2 . . . . . . . . 5275 1
68 . 1 1 26 26 PRO HG2 H 1 2.103 0.000 . 2 . . . . . . . . 5275 1
69 . 1 1 26 26 PRO HG3 H 1 1.885 0.000 . 2 . . . . . . . . 5275 1
70 . 1 1 26 26 PRO HD2 H 1 3.586 0.000 . 2 . . . . . . . . 5275 1
71 . 1 1 26 26 PRO C C 13 176.115 0.000 . 1 . . . . . . . . 5275 1
72 . 1 1 27 27 THR N N 15 115.531 0.000 . 1 . . . . . . . . 5275 1
73 . 1 1 27 27 THR H H 1 7.424 0.000 . 1 . . . . . . . . 5275 1
74 . 1 1 27 27 THR CA C 13 60.405 0.000 . 1 . . . . . . . . 5275 1
75 . 1 1 27 27 THR HA H 1 4.634 0.000 . 1 . . . . . . . . 5275 1
76 . 1 1 27 27 THR CB C 13 67.954 0.000 . 1 . . . . . . . . 5275 1
77 . 1 1 27 27 THR HB H 1 4.430 0.000 . 1 . . . . . . . . 5275 1
78 . 1 1 27 27 THR HG21 H 1 1.055 0.000 . 1 . . . . . . . . 5275 1
79 . 1 1 27 27 THR HG22 H 1 1.055 0.000 . 1 . . . . . . . . 5275 1
80 . 1 1 27 27 THR HG23 H 1 1.055 0.000 . 1 . . . . . . . . 5275 1
81 . 1 1 27 27 THR CG2 C 13 22.123 0.000 . 1 . . . . . . . . 5275 1
82 . 1 1 27 27 THR C C 13 172.450 0.000 . 1 . . . . . . . . 5275 1
83 . 1 1 28 28 THR N N 15 119.896 0.000 . 1 . . . . . . . . 5275 1
84 . 1 1 28 28 THR H H 1 8.038 0.000 . 1 . . . . . . . . 5275 1
85 . 1 1 28 28 THR CA C 13 61.970 0.000 . 1 . . . . . . . . 5275 1
86 . 1 1 28 28 THR HA H 1 5.500 0.000 . 1 . . . . . . . . 5275 1
87 . 1 1 28 28 THR CB C 13 70.361 0.000 . 1 . . . . . . . . 5275 1
88 . 1 1 28 28 THR HB H 1 3.955 0.000 . 1 . . . . . . . . 5275 1
89 . 1 1 28 28 THR HG21 H 1 1.233 0.000 . 1 . . . . . . . . 5275 1
90 . 1 1 28 28 THR HG22 H 1 1.233 0.000 . 1 . . . . . . . . 5275 1
91 . 1 1 28 28 THR HG23 H 1 1.233 0.000 . 1 . . . . . . . . 5275 1
92 . 1 1 28 28 THR CG2 C 13 20.399 0.000 . 1 . . . . . . . . 5275 1
93 . 1 1 28 28 THR C C 13 173.482 0.000 . 1 . . . . . . . . 5275 1
94 . 1 1 29 29 PHE N N 15 127.329 0.000 . 1 . . . . . . . . 5275 1
95 . 1 1 29 29 PHE H H 1 9.624 0.000 . 1 . . . . . . . . 5275 1
96 . 1 1 29 29 PHE CA C 13 55.231 0.000 . 1 . . . . . . . . 5275 1
97 . 1 1 29 29 PHE HA H 1 4.973 0.000 . 1 . . . . . . . . 5275 1
98 . 1 1 29 29 PHE CB C 13 39.918 0.000 . 1 . . . . . . . . 5275 1
99 . 1 1 29 29 PHE HB2 H 1 3.026 0.000 . 2 . . . . . . . . 5275 1
100 . 1 1 29 29 PHE HB3 H 1 3.312 0.000 . 2 . . . . . . . . 5275 1
101 . 1 1 29 29 PHE HD1 H 1 7.073 0.000 . 1 . . . . . . . . 5275 1
102 . 1 1 29 29 PHE HD2 H 1 7.073 0.000 . 1 . . . . . . . . 5275 1
103 . 1 1 29 29 PHE HE1 H 1 6.851 0.000 . 1 . . . . . . . . 5275 1
104 . 1 1 29 29 PHE HE2 H 1 6.851 0.000 . 1 . . . . . . . . 5275 1
105 . 1 1 29 29 PHE C C 13 171.350 0.000 . 1 . . . . . . . . 5275 1
106 . 1 1 30 30 ASN N N 15 121.216 0.000 . 1 . . . . . . . . 5275 1
107 . 1 1 30 30 ASN H H 1 8.519 0.000 . 1 . . . . . . . . 5275 1
108 . 1 1 30 30 ASN CA C 13 49.161 0.000 . 1 . . . . . . . . 5275 1
109 . 1 1 30 30 ASN HA H 1 4.420 0.000 . 1 . . . . . . . . 5275 1
110 . 1 1 30 30 ASN CB C 13 37.890 0.000 . 1 . . . . . . . . 5275 1
111 . 1 1 30 30 ASN HB2 H 1 2.555 0.000 . 2 . . . . . . . . 5275 1
112 . 1 1 30 30 ASN HB3 H 1 2.976 0.000 . 2 . . . . . . . . 5275 1
113 . 1 1 30 30 ASN ND2 N 15 106.552 0.000 . 1 . . . . . . . . 5275 1
114 . 1 1 30 30 ASN HD21 H 1 6.994 0.000 . 2 . . . . . . . . 5275 1
115 . 1 1 30 30 ASN HD22 H 1 6.089 0.000 . 2 . . . . . . . . 5275 1
116 . 1 1 30 30 ASN C C 13 174.814 0.000 . 1 . . . . . . . . 5275 1
117 . 1 1 31 31 PRO HD2 H 1 3.698 0.000 . 2 . . . . . . . . 5275 1
118 . 1 1 31 31 PRO HD3 H 1 3.453 0.000 . 2 . . . . . . . . 5275 1
119 . 1 1 32 32 PRO CA C 13 61.577 0.000 . 1 . . . . . . . . 5275 1
120 . 1 1 32 32 PRO CB C 13 31.428 0.000 . 1 . . . . . . . . 5275 1
121 . 1 1 32 32 PRO HB2 H 1 2.052 0.000 . 2 . . . . . . . . 5275 1
122 . 1 1 32 32 PRO HB3 H 1 2.306 0.000 . 2 . . . . . . . . 5275 1
123 . 1 1 32 32 PRO HG2 H 1 1.710 0.000 . 1 . . . . . . . . 5275 1
124 . 1 1 32 32 PRO HG3 H 1 1.710 0.000 . 1 . . . . . . . . 5275 1
125 . 1 1 32 32 PRO C C 13 176.414 0.000 . 1 . . . . . . . . 5275 1
126 . 1 1 33 33 VAL N N 15 116.621 0.000 . 1 . . . . . . . . 5275 1
127 . 1 1 33 33 VAL H H 1 8.377 0.000 . 1 . . . . . . . . 5275 1
128 . 1 1 33 33 VAL CA C 13 61.700 0.000 . 1 . . . . . . . . 5275 1
129 . 1 1 33 33 VAL HA H 1 4.418 0.000 . 1 . . . . . . . . 5275 1
130 . 1 1 33 33 VAL CB C 13 31.731 0.000 . 1 . . . . . . . . 5275 1
131 . 1 1 33 33 VAL HB H 1 2.421 0.000 . 1 . . . . . . . . 5275 1
132 . 1 1 33 33 VAL HG11 H 1 1.066 0.000 . 1 . . . . . . . . 5275 1
133 . 1 1 33 33 VAL HG12 H 1 1.066 0.000 . 1 . . . . . . . . 5275 1
134 . 1 1 33 33 VAL HG13 H 1 1.066 0.000 . 1 . . . . . . . . 5275 1
135 . 1 1 33 33 VAL HG21 H 1 1.046 0.000 . 1 . . . . . . . . 5275 1
136 . 1 1 33 33 VAL HG22 H 1 1.046 0.000 . 1 . . . . . . . . 5275 1
137 . 1 1 33 33 VAL HG23 H 1 1.046 0.000 . 1 . . . . . . . . 5275 1
138 . 1 1 33 33 VAL CG1 C 13 21.827 0.000 . 1 . . . . . . . . 5275 1
139 . 1 1 33 33 VAL CG2 C 13 18.999 0.000 . 1 . . . . . . . . 5275 1
140 . 1 1 33 33 VAL C C 13 176.198 0.000 . 1 . . . . . . . . 5275 1
141 . 1 1 34 34 ASP N N 15 114.442 0.000 . 1 . . . . . . . . 5275 1
142 . 1 1 34 34 ASP H H 1 9.495 0.000 . 1 . . . . . . . . 5275 1
143 . 1 1 34 34 ASP CA C 13 56.653 0.000 . 1 . . . . . . . . 5275 1
144 . 1 1 34 34 ASP HA H 1 4.071 0.000 . 1 . . . . . . . . 5275 1
145 . 1 1 34 34 ASP CB C 13 37.181 0.000 . 1 . . . . . . . . 5275 1
146 . 1 1 34 34 ASP HB2 H 1 2.940 0.000 . 2 . . . . . . . . 5275 1
147 . 1 1 34 34 ASP HB3 H 1 3.379 0.000 . 2 . . . . . . . . 5275 1
148 . 1 1 34 34 ASP C C 13 174.546 0.000 . 1 . . . . . . . . 5275 1
149 . 1 1 35 35 TYR N N 15 115.259 0.000 . 1 . . . . . . . . 5275 1
150 . 1 1 35 35 TYR H H 1 7.442 0.000 . 1 . . . . . . . . 5275 1
151 . 1 1 35 35 TYR CA C 13 57.453 0.000 . 1 . . . . . . . . 5275 1
152 . 1 1 35 35 TYR HA H 1 4.854 0.000 . 1 . . . . . . . . 5275 1
153 . 1 1 35 35 TYR CB C 13 41.447 0.000 . 1 . . . . . . . . 5275 1
154 . 1 1 35 35 TYR HB2 H 1 2.763 0.000 . 2 . . . . . . . . 5275 1
155 . 1 1 35 35 TYR HB3 H 1 2.794 0.000 . 2 . . . . . . . . 5275 1
156 . 1 1 35 35 TYR HE1 H 1 6.970 0.000 . 1 . . . . . . . . 5275 1
157 . 1 1 35 35 TYR HE2 H 1 6.970 0.000 . 1 . . . . . . . . 5275 1
158 . 1 1 35 35 TYR HD1 H 1 7.093 0.000 . 1 . . . . . . . . 5275 1
159 . 1 1 35 35 TYR HD2 H 1 7.093 0.000 . 1 . . . . . . . . 5275 1
160 . 1 1 35 35 TYR C C 13 174.784 0.000 . 1 . . . . . . . . 5275 1
161 . 1 1 36 36 TRP N N 15 124.264 0.000 . 1 . . . . . . . . 5275 1
162 . 1 1 36 36 TRP H H 1 9.959 0.000 . 1 . . . . . . . . 5275 1
163 . 1 1 36 36 TRP CA C 13 57.038 0.000 . 1 . . . . . . . . 5275 1
164 . 1 1 36 36 TRP HA H 1 4.709 0.000 . 1 . . . . . . . . 5275 1
165 . 1 1 36 36 TRP CB C 13 31.490 0.000 . 1 . . . . . . . . 5275 1
166 . 1 1 36 36 TRP HB2 H 1 3.072 0.000 . 2 . . . . . . . . 5275 1
167 . 1 1 36 36 TRP HB3 H 1 3.246 0.000 . 2 . . . . . . . . 5275 1
168 . 1 1 36 36 TRP NE1 N 15 127.799 0.000 . 1 . . . . . . . . 5275 1
169 . 1 1 36 36 TRP HD1 H 1 6.594 0.000 . 1 . . . . . . . . 5275 1
170 . 1 1 36 36 TRP HE3 H 1 7.248 0.000 . 1 . . . . . . . . 5275 1
171 . 1 1 36 36 TRP HE1 H 1 10.045 0.000 . 1 . . . . . . . . 5275 1
172 . 1 1 36 36 TRP HZ3 H 1 6.648 0.000 . 1 . . . . . . . . 5275 1
173 . 1 1 36 36 TRP HZ2 H 1 6.921 0.000 . 1 . . . . . . . . 5275 1
174 . 1 1 36 36 TRP HH2 H 1 6.340 0.000 . 1 . . . . . . . . 5275 1
175 . 1 1 36 36 TRP C C 13 175.558 0.000 . 1 . . . . . . . . 5275 1
176 . 1 1 37 37 MET N N 15 124.702 0.000 . 1 . . . . . . . . 5275 1
177 . 1 1 37 37 MET H H 1 9.609 0.000 . 1 . . . . . . . . 5275 1
178 . 1 1 37 37 MET CA C 13 54.053 0.000 . 1 . . . . . . . . 5275 1
179 . 1 1 37 37 MET HA H 1 5.578 0.000 . 1 . . . . . . . . 5275 1
180 . 1 1 37 37 MET CB C 13 33.765 0.000 . 1 . . . . . . . . 5275 1
181 . 1 1 37 37 MET HB2 H 1 2.347 0.000 . 2 . . . . . . . . 5275 1
182 . 1 1 37 37 MET HB3 H 1 2.396 0.000 . 2 . . . . . . . . 5275 1
183 . 1 1 37 37 MET CG C 13 36.583 0.000 . 1 . . . . . . . . 5275 1
184 . 1 1 37 37 MET HG3 H 1 1.654 0.000 . 2 . . . . . . . . 5275 1
185 . 1 1 37 37 MET C C 13 174.381 0.000 . 1 . . . . . . . . 5275 1
186 . 1 1 38 38 LEU N N 15 130.496 0.000 . 1 . . . . . . . . 5275 1
187 . 1 1 38 38 LEU H H 1 9.678 0.000 . 1 . . . . . . . . 5275 1
188 . 1 1 38 38 LEU CA C 13 54.344 0.000 . 1 . . . . . . . . 5275 1
189 . 1 1 38 38 LEU HA H 1 5.059 0.000 . 1 . . . . . . . . 5275 1
190 . 1 1 38 38 LEU CB C 13 43.660 0.000 . 1 . . . . . . . . 5275 1
191 . 1 1 38 38 LEU HB2 H 1 2.089 0.000 . 2 . . . . . . . . 5275 1
192 . 1 1 38 38 LEU HB3 H 1 2.366 0.000 . 2 . . . . . . . . 5275 1
193 . 1 1 38 38 LEU CG C 13 26.942 0.000 . 1 . . . . . . . . 5275 1
194 . 1 1 38 38 LEU HG H 1 1.488 0.000 . 1 . . . . . . . . 5275 1
195 . 1 1 38 38 LEU HD11 H 1 0.923 0.000 . 1 . . . . . . . . 5275 1
196 . 1 1 38 38 LEU HD12 H 1 0.923 0.000 . 1 . . . . . . . . 5275 1
197 . 1 1 38 38 LEU HD13 H 1 0.923 0.000 . 1 . . . . . . . . 5275 1
198 . 1 1 38 38 LEU HD21 H 1 0.855 0.000 . 1 . . . . . . . . 5275 1
199 . 1 1 38 38 LEU HD22 H 1 0.855 0.000 . 1 . . . . . . . . 5275 1
200 . 1 1 38 38 LEU HD23 H 1 0.855 0.000 . 1 . . . . . . . . 5275 1
201 . 1 1 38 38 LEU CD1 C 13 24.877 0.000 . 1 . . . . . . . . 5275 1
202 . 1 1 38 38 LEU C C 13 174.980 0.000 . 1 . . . . . . . . 5275 1
203 . 1 1 39 39 LEU N N 15 129.407 0.000 . 1 . . . . . . . . 5275 1
204 . 1 1 39 39 LEU H H 1 9.748 0.000 . 1 . . . . . . . . 5275 1
205 . 1 1 39 39 LEU CA C 13 55.570 0.000 . 1 . . . . . . . . 5275 1
206 . 1 1 39 39 LEU HA H 1 4.887 0.000 . 1 . . . . . . . . 5275 1
207 . 1 1 39 39 LEU CB C 13 43.410 0.000 . 1 . . . . . . . . 5275 1
208 . 1 1 39 39 LEU HB2 H 1 1.352 0.000 . 2 . . . . . . . . 5275 1
209 . 1 1 39 39 LEU HB3 H 1 1.720 0.000 . 2 . . . . . . . . 5275 1
210 . 1 1 39 39 LEU CG C 13 27.633 0.000 . 1 . . . . . . . . 5275 1
211 . 1 1 39 39 LEU HG H 1 1.849 0.000 . 1 . . . . . . . . 5275 1
212 . 1 1 39 39 LEU HD11 H 1 1.092 0.000 . 1 . . . . . . . . 5275 1
213 . 1 1 39 39 LEU HD12 H 1 1.092 0.000 . 1 . . . . . . . . 5275 1
214 . 1 1 39 39 LEU HD13 H 1 1.092 0.000 . 1 . . . . . . . . 5275 1
215 . 1 1 39 39 LEU HD21 H 1 1.132 0.000 . 1 . . . . . . . . 5275 1
216 . 1 1 39 39 LEU HD22 H 1 1.132 0.000 . 1 . . . . . . . . 5275 1
217 . 1 1 39 39 LEU HD23 H 1 1.132 0.000 . 1 . . . . . . . . 5275 1
218 . 1 1 39 39 LEU CD1 C 13 25.564 0.000 . 1 . . . . . . . . 5275 1
219 . 1 1 39 39 LEU CD2 C 13 25.564 0.000 . 1 . . . . . . . . 5275 1
220 . 1 1 39 39 LEU C C 13 174.216 0.000 . 1 . . . . . . . . 5275 1
221 . 1 1 40 40 ALA N N 15 123.579 0.000 . 1 . . . . . . . . 5275 1
222 . 1 1 40 40 ALA H H 1 8.380 0.000 . 1 . . . . . . . . 5275 1
223 . 1 1 40 40 ALA CA C 13 49.432 0.000 . 1 . . . . . . . . 5275 1
224 . 1 1 40 40 ALA HA H 1 5.407 0.000 . 1 . . . . . . . . 5275 1
225 . 1 1 40 40 ALA HB1 H 1 1.315 0.000 . 1 . . . . . . . . 5275 1
226 . 1 1 40 40 ALA HB2 H 1 1.315 0.000 . 1 . . . . . . . . 5275 1
227 . 1 1 40 40 ALA HB3 H 1 1.315 0.000 . 1 . . . . . . . . 5275 1
228 . 1 1 40 40 ALA CB C 13 19.538 0.000 . 1 . . . . . . . . 5275 1
229 . 1 1 40 40 ALA C C 13 173.927 0.000 . 1 . . . . . . . . 5275 1
230 . 1 1 41 41 PRO CA C 13 62.519 0.000 . 1 . . . . . . . . 5275 1
231 . 1 1 41 41 PRO HA H 1 4.691 0.000 . 1 . . . . . . . . 5275 1
232 . 1 1 41 41 PRO CB C 13 33.171 0.000 . 1 . . . . . . . . 5275 1
233 . 1 1 41 41 PRO HB2 H 1 1.998 0.000 . 1 . . . . . . . . 5275 1
234 . 1 1 41 41 PRO HB3 H 1 1.998 0.000 . 1 . . . . . . . . 5275 1
235 . 1 1 41 41 PRO HD2 H 1 3.457 0.000 . 1 . . . . . . . . 5275 1
236 . 1 1 41 41 PRO HD3 H 1 3.457 0.000 . 1 . . . . . . . . 5275 1
237 . 1 1 41 41 PRO C C 13 176.570 0.000 . 1 . . . . . . . . 5275 1
238 . 1 1 42 42 THR N N 15 108.659 0.000 . 1 . . . . . . . . 5275 1
239 . 1 1 42 42 THR H H 1 8.872 0.000 . 1 . . . . . . . . 5275 1
240 . 1 1 42 42 THR CA C 13 61.114 0.000 . 1 . . . . . . . . 5275 1
241 . 1 1 42 42 THR HA H 1 4.392 0.000 . 1 . . . . . . . . 5275 1
242 . 1 1 42 42 THR CB C 13 69.997 0.000 . 1 . . . . . . . . 5275 1
243 . 1 1 42 42 THR HB H 1 4.315 0.000 . 1 . . . . . . . . 5275 1
244 . 1 1 42 42 THR HG21 H 1 1.243 0.000 . 1 . . . . . . . . 5275 1
245 . 1 1 42 42 THR HG22 H 1 1.243 0.000 . 1 . . . . . . . . 5275 1
246 . 1 1 42 42 THR HG23 H 1 1.243 0.000 . 1 . . . . . . . . 5275 1
247 . 1 1 42 42 THR CG2 C 13 21.434 0.000 . 1 . . . . . . . . 5275 1
248 . 1 1 42 42 THR C C 13 174.732 0.000 . 1 . . . . . . . . 5275 1
249 . 1 1 43 43 ALA N N 15 126.352 0.000 . 1 . . . . . . . . 5275 1
250 . 1 1 43 43 ALA H H 1 7.992 0.000 . 1 . . . . . . . . 5275 1
251 . 1 1 43 43 ALA CA C 13 50.637 0.000 . 1 . . . . . . . . 5275 1
252 . 1 1 43 43 ALA HA H 1 4.776 0.000 . 1 . . . . . . . . 5275 1
253 . 1 1 43 43 ALA HB1 H 1 1.547 0.000 . 1 . . . . . . . . 5275 1
254 . 1 1 43 43 ALA HB2 H 1 1.547 0.000 . 1 . . . . . . . . 5275 1
255 . 1 1 43 43 ALA HB3 H 1 1.547 0.000 . 1 . . . . . . . . 5275 1
256 . 1 1 43 43 ALA CB C 13 22.001 0.000 . 1 . . . . . . . . 5275 1
257 . 1 1 43 43 ALA C C 13 175.465 0.000 . 1 . . . . . . . . 5275 1
258 . 1 1 44 44 ALA N N 15 121.296 0.000 . 1 . . . . . . . . 5275 1
259 . 1 1 44 44 ALA H H 1 8.838 0.000 . 1 . . . . . . . . 5275 1
260 . 1 1 44 44 ALA CA C 13 52.791 0.000 . 1 . . . . . . . . 5275 1
261 . 1 1 44 44 ALA HA H 1 4.054 0.000 . 1 . . . . . . . . 5275 1
262 . 1 1 44 44 ALA HB1 H 1 1.657 0.000 . 1 . . . . . . . . 5275 1
263 . 1 1 44 44 ALA HB2 H 1 1.657 0.000 . 1 . . . . . . . . 5275 1
264 . 1 1 44 44 ALA HB3 H 1 1.657 0.000 . 1 . . . . . . . . 5275 1
265 . 1 1 44 44 ALA CB C 13 19.034 0.000 . 1 . . . . . . . . 5275 1
266 . 1 1 44 44 ALA C C 13 176.983 0.000 . 1 . . . . . . . . 5275 1
267 . 1 1 45 45 GLY N N 15 107.909 0.000 . 1 . . . . . . . . 5275 1
268 . 1 1 45 45 GLY H H 1 8.536 0.000 . 1 . . . . . . . . 5275 1
269 . 1 1 45 45 GLY CA C 13 44.188 0.000 . 1 . . . . . . . . 5275 1
270 . 1 1 45 45 GLY HA2 H 1 3.993 0.000 . 2 . . . . . . . . 5275 1
271 . 1 1 45 45 GLY HA3 H 1 4.906 0.000 . 2 . . . . . . . . 5275 1
272 . 1 1 45 45 GLY C C 13 173.472 0.000 . 1 . . . . . . . . 5275 1
273 . 1 1 46 46 VAL N N 15 123.160 0.000 . 1 . . . . . . . . 5275 1
274 . 1 1 46 46 VAL H H 1 8.824 0.000 . 1 . . . . . . . . 5275 1
275 . 1 1 46 46 VAL CA C 13 63.687 0.000 . 1 . . . . . . . . 5275 1
276 . 1 1 46 46 VAL HA H 1 4.057 0.000 . 1 . . . . . . . . 5275 1
277 . 1 1 46 46 VAL CB C 13 31.526 0.000 . 1 . . . . . . . . 5275 1
278 . 1 1 46 46 VAL HB H 1 1.549 0.000 . 1 . . . . . . . . 5275 1
279 . 1 1 46 46 VAL HG11 H 1 0.740 0.000 . 1 . . . . . . . . 5275 1
280 . 1 1 46 46 VAL HG12 H 1 0.740 0.000 . 1 . . . . . . . . 5275 1
281 . 1 1 46 46 VAL HG13 H 1 0.740 0.000 . 1 . . . . . . . . 5275 1
282 . 1 1 46 46 VAL HG21 H 1 0.925 0.000 . 1 . . . . . . . . 5275 1
283 . 1 1 46 46 VAL HG22 H 1 0.925 0.000 . 1 . . . . . . . . 5275 1
284 . 1 1 46 46 VAL HG23 H 1 0.925 0.000 . 1 . . . . . . . . 5275 1
285 . 1 1 46 46 VAL CG1 C 13 21.088 0.000 . 1 . . . . . . . . 5275 1
286 . 1 1 46 46 VAL CG2 C 13 22.120 0.000 . 1 . . . . . . . . 5275 1
287 . 1 1 46 46 VAL C C 13 175.827 0.000 . 1 . . . . . . . . 5275 1
288 . 1 1 47 47 VAL N N 15 127.049 0.000 . 1 . . . . . . . . 5275 1
289 . 1 1 47 47 VAL H H 1 9.267 0.000 . 1 . . . . . . . . 5275 1
290 . 1 1 47 47 VAL CA C 13 64.046 0.000 . 1 . . . . . . . . 5275 1
291 . 1 1 47 47 VAL HA H 1 4.269 0.000 . 1 . . . . . . . . 5275 1
292 . 1 1 47 47 VAL CB C 13 34.610 0.000 . 1 . . . . . . . . 5275 1
293 . 1 1 47 47 VAL HB H 1 2.024 0.000 . 1 . . . . . . . . 5275 1
294 . 1 1 47 47 VAL HG11 H 1 0.923 0.000 . 1 . . . . . . . . 5275 1
295 . 1 1 47 47 VAL HG12 H 1 0.923 0.000 . 1 . . . . . . . . 5275 1
296 . 1 1 47 47 VAL HG13 H 1 0.923 0.000 . 1 . . . . . . . . 5275 1
297 . 1 1 47 47 VAL HG21 H 1 1.249 0.000 . 1 . . . . . . . . 5275 1
298 . 1 1 47 47 VAL HG22 H 1 1.249 0.000 . 1 . . . . . . . . 5275 1
299 . 1 1 47 47 VAL HG23 H 1 1.249 0.000 . 1 . . . . . . . . 5275 1
300 . 1 1 47 47 VAL CG1 C 13 22.465 0.000 . 1 . . . . . . . . 5275 1
301 . 1 1 47 47 VAL CG2 C 13 21.255 0.000 . 1 . . . . . . . . 5275 1
302 . 1 1 47 47 VAL C C 13 174.807 0.000 . 1 . . . . . . . . 5275 1
303 . 1 1 48 48 VAL N N 15 116.269 0.000 . 1 . . . . . . . . 5275 1
304 . 1 1 48 48 VAL H H 1 7.507 0.000 . 1 . . . . . . . . 5275 1
305 . 1 1 48 48 VAL CA C 13 58.055 0.000 . 1 . . . . . . . . 5275 1
306 . 1 1 48 48 VAL HA H 1 5.644 0.000 . 1 . . . . . . . . 5275 1
307 . 1 1 48 48 VAL CB C 13 33.688 0.000 . 1 . . . . . . . . 5275 1
308 . 1 1 48 48 VAL HB H 1 2.411 0.000 . 1 . . . . . . . . 5275 1
309 . 1 1 48 48 VAL HG11 H 1 0.955 0.000 . 1 . . . . . . . . 5275 1
310 . 1 1 48 48 VAL HG12 H 1 0.955 0.000 . 1 . . . . . . . . 5275 1
311 . 1 1 48 48 VAL HG13 H 1 0.955 0.000 . 1 . . . . . . . . 5275 1
312 . 1 1 48 48 VAL HG21 H 1 1.040 0.000 . 1 . . . . . . . . 5275 1
313 . 1 1 48 48 VAL HG22 H 1 1.040 0.000 . 1 . . . . . . . . 5275 1
314 . 1 1 48 48 VAL HG23 H 1 1.040 0.000 . 1 . . . . . . . . 5275 1
315 . 1 1 48 48 VAL CG1 C 13 18.333 0.000 . 1 . . . . . . . . 5275 1
316 . 1 1 48 48 VAL CG2 C 13 21.431 0.000 . 1 . . . . . . . . 5275 1
317 . 1 1 48 48 VAL C C 13 171.154 0.000 . 1 . . . . . . . . 5275 1
318 . 1 1 49 49 GLU N N 15 123.181 0.000 . 1 . . . . . . . . 5275 1
319 . 1 1 49 49 GLU H H 1 8.522 0.000 . 1 . . . . . . . . 5275 1
320 . 1 1 49 49 GLU CA C 13 54.317 0.000 . 1 . . . . . . . . 5275 1
321 . 1 1 49 49 GLU HA H 1 5.692 0.000 . 1 . . . . . . . . 5275 1
322 . 1 1 49 49 GLU CB C 13 32.698 0.000 . 1 . . . . . . . . 5275 1
323 . 1 1 49 49 GLU HB2 H 1 2.117 0.000 . 2 . . . . . . . . 5275 1
324 . 1 1 49 49 GLU HB3 H 1 1.824 0.000 . 2 . . . . . . . . 5275 1
325 . 1 1 49 49 GLU CG C 13 34.176 0.000 . 1 . . . . . . . . 5275 1
326 . 1 1 49 49 GLU HG2 H 1 2.000 0.000 . 2 . . . . . . . . 5275 1
327 . 1 1 49 49 GLU HG3 H 1 1.959 0.000 . 2 . . . . . . . . 5275 1
328 . 1 1 49 49 GLU C C 13 175.176 0.000 . 1 . . . . . . . . 5275 1
329 . 1 1 50 50 GLY N N 15 108.438 0.000 . 1 . . . . . . . . 5275 1
330 . 1 1 50 50 GLY H H 1 10.068 0.000 . 1 . . . . . . . . 5275 1
331 . 1 1 50 50 GLY CA C 13 46.803 0.000 . 1 . . . . . . . . 5275 1
332 . 1 1 50 50 GLY HA2 H 1 4.077 0.000 . 2 . . . . . . . . 5275 1
333 . 1 1 50 50 GLY HA3 H 1 5.247 0.000 . 2 . . . . . . . . 5275 1
334 . 1 1 50 50 GLY C C 13 171.139 0.000 . 1 . . . . . . . . 5275 1
335 . 1 1 51 51 THR N N 15 113.908 0.000 . 1 . . . . . . . . 5275 1
336 . 1 1 51 51 THR H H 1 8.125 0.000 . 1 . . . . . . . . 5275 1
337 . 1 1 51 51 THR CA C 13 58.062 0.000 . 1 . . . . . . . . 5275 1
338 . 1 1 51 51 THR HA H 1 5.072 0.000 . 1 . . . . . . . . 5275 1
339 . 1 1 51 51 THR HB H 1 3.768 0.000 . 1 . . . . . . . . 5275 1
340 . 1 1 51 51 THR CB C 13 69.980 0.000 . 1 . . . . . . . . 5275 1
341 . 1 1 51 51 THR HG21 H 1 1.023 0.000 . 1 . . . . . . . . 5275 1
342 . 1 1 51 51 THR HG22 H 1 1.023 0.000 . 1 . . . . . . . . 5275 1
343 . 1 1 51 51 THR HG23 H 1 1.023 0.000 . 1 . . . . . . . . 5275 1
344 . 1 1 51 51 THR CG2 C 13 16.267 0.000 . 1 . . . . . . . . 5275 1
345 . 1 1 51 51 THR C C 13 171.758 0.000 . 1 . . . . . . . . 5275 1
346 . 1 1 52 52 ASN N N 15 122.325 0.000 . 1 . . . . . . . . 5275 1
347 . 1 1 52 52 ASN H H 1 7.265 0.000 . 1 . . . . . . . . 5275 1
348 . 1 1 52 52 ASN CA C 13 51.611 0.000 . 1 . . . . . . . . 5275 1
349 . 1 1 52 52 ASN HA H 1 4.801 0.000 . 1 . . . . . . . . 5275 1
350 . 1 1 52 52 ASN CB C 13 38.196 0.000 . 1 . . . . . . . . 5275 1
351 . 1 1 52 52 ASN HB2 H 1 2.280 0.000 . 2 . . . . . . . . 5275 1
352 . 1 1 52 52 ASN HB3 H 1 3.336 0.000 . 2 . . . . . . . . 5275 1
353 . 1 1 52 52 ASN C C 13 175.981 0.000 . 1 . . . . . . . . 5275 1
354 . 1 1 53 53 ASN N N 15 115.531 0.000 . 1 . . . . . . . . 5275 1
355 . 1 1 53 53 ASN H H 1 9.282 0.000 . 1 . . . . . . . . 5275 1
356 . 1 1 53 53 ASN CA C 13 55.470 0.000 . 1 . . . . . . . . 5275 1
357 . 1 1 53 53 ASN HA H 1 3.770 0.000 . 1 . . . . . . . . 5275 1
358 . 1 1 53 53 ASN CB C 13 38.274 0.000 . 1 . . . . . . . . 5275 1
359 . 1 1 53 53 ASN HB2 H 1 2.924 0.000 . 2 . . . . . . . . 5275 1
360 . 1 1 53 53 ASN HB3 H 1 2.997 0.000 . 2 . . . . . . . . 5275 1
361 . 1 1 53 53 ASN ND2 N 15 114.170 0.000 . 1 . . . . . . . . 5275 1
362 . 1 1 53 53 ASN HD21 H 1 6.830 0.000 . 2 . . . . . . . . 5275 1
363 . 1 1 53 53 ASN HD22 H 1 7.535 0.000 . 2 . . . . . . . . 5275 1
364 . 1 1 53 53 ASN C C 13 173.679 0.000 . 1 . . . . . . . . 5275 1
365 . 1 1 54 54 THR N N 15 111.469 0.000 . 1 . . . . . . . . 5275 1
366 . 1 1 54 54 THR H H 1 7.556 0.000 . 1 . . . . . . . . 5275 1
367 . 1 1 54 54 THR CA C 13 62.851 0.000 . 1 . . . . . . . . 5275 1
368 . 1 1 54 54 THR HA H 1 4.560 0.000 . 1 . . . . . . . . 5275 1
369 . 1 1 54 54 THR CB C 13 70.240 0.000 . 1 . . . . . . . . 5275 1
370 . 1 1 54 54 THR HB H 1 3.705 0.000 . 1 . . . . . . . . 5275 1
371 . 1 1 54 54 THR HG21 H 1 1.054 0.000 . 1 . . . . . . . . 5275 1
372 . 1 1 54 54 THR HG22 H 1 1.054 0.000 . 1 . . . . . . . . 5275 1
373 . 1 1 54 54 THR HG23 H 1 1.054 0.000 . 1 . . . . . . . . 5275 1
374 . 1 1 54 54 THR CG2 C 13 20.745 0.000 . 1 . . . . . . . . 5275 1
375 . 1 1 54 54 THR C C 13 173.997 0.000 . 1 . . . . . . . . 5275 1
376 . 1 1 55 55 ASP N N 15 120.667 0.000 . 1 . . . . . . . . 5275 1
377 . 1 1 55 55 ASP H H 1 8.125 0.000 . 1 . . . . . . . . 5275 1
378 . 1 1 55 55 ASP CA C 13 53.319 0.000 . 1 . . . . . . . . 5275 1
379 . 1 1 55 55 ASP HA H 1 5.081 0.000 . 1 . . . . . . . . 5275 1
380 . 1 1 55 55 ASP CB C 13 41.225 0.000 . 1 . . . . . . . . 5275 1
381 . 1 1 55 55 ASP HB2 H 1 3.303 0.000 . 1 . . . . . . . . 5275 1
382 . 1 1 55 55 ASP HB3 H 1 3.303 0.000 . 1 . . . . . . . . 5275 1
383 . 1 1 55 55 ASP C C 13 175.165 0.000 . 1 . . . . . . . . 5275 1
384 . 1 1 56 56 ARG N N 15 117.651 0.000 . 1 . . . . . . . . 5275 1
385 . 1 1 56 56 ARG H H 1 7.440 0.000 . 1 . . . . . . . . 5275 1
386 . 1 1 56 56 ARG CA C 13 56.666 0.000 . 1 . . . . . . . . 5275 1
387 . 1 1 56 56 ARG HA H 1 4.682 0.000 . 1 . . . . . . . . 5275 1
388 . 1 1 56 56 ARG CB C 13 31.233 0.000 . 1 . . . . . . . . 5275 1
389 . 1 1 56 56 ARG HB2 H 1 1.399 0.000 . 2 . . . . . . . . 5275 1
390 . 1 1 56 56 ARG HB3 H 1 2.041 0.000 . 2 . . . . . . . . 5275 1
391 . 1 1 56 56 ARG HG2 H 1 1.656 0.000 . 1 . . . . . . . . 5275 1
392 . 1 1 56 56 ARG HG3 H 1 1.656 0.000 . 1 . . . . . . . . 5275 1
393 . 1 1 56 56 ARG HD2 H 1 3.086 0.000 . 2 . . . . . . . . 5275 1
394 . 1 1 56 56 ARG HD3 H 1 2.968 0.000 . 2 . . . . . . . . 5275 1
395 . 1 1 56 56 ARG NE N 15 117.435 0.000 . 1 . . . . . . . . 5275 1
396 . 1 1 56 56 ARG HE H 1 6.753 0.000 . 1 . . . . . . . . 5275 1
397 . 1 1 56 56 ARG C C 13 173.297 0.000 . 1 . . . . . . . . 5275 1
398 . 1 1 57 57 TRP N N 15 132.876 0.000 . 1 . . . . . . . . 5275 1
399 . 1 1 57 57 TRP H H 1 8.944 0.000 . 1 . . . . . . . . 5275 1
400 . 1 1 57 57 TRP CA C 13 58.981 0.000 . 1 . . . . . . . . 5275 1
401 . 1 1 57 57 TRP HA H 1 4.560 0.000 . 1 . . . . . . . . 5275 1
402 . 1 1 57 57 TRP CB C 13 32.725 0.000 . 1 . . . . . . . . 5275 1
403 . 1 1 57 57 TRP HB2 H 1 2.779 0.000 . 2 . . . . . . . . 5275 1
404 . 1 1 57 57 TRP HB3 H 1 3.275 0.000 . 2 . . . . . . . . 5275 1
405 . 1 1 57 57 TRP NE1 N 15 131.584 0.000 . 1 . . . . . . . . 5275 1
406 . 1 1 57 57 TRP HD1 H 1 6.667 0.000 . 1 . . . . . . . . 5275 1
407 . 1 1 57 57 TRP HE3 H 1 7.078 0.000 . 1 . . . . . . . . 5275 1
408 . 1 1 57 57 TRP HE1 H 1 10.215 0.000 . 1 . . . . . . . . 5275 1
409 . 1 1 57 57 TRP HZ3 H 1 6.172 0.000 . 1 . . . . . . . . 5275 1
410 . 1 1 57 57 TRP HZ2 H 1 7.194 0.000 . 1 . . . . . . . . 5275 1
411 . 1 1 57 57 TRP HH2 H 1 6.664 0.000 . 1 . . . . . . . . 5275 1
412 . 1 1 57 57 TRP C C 13 172.956 0.000 . 1 . . . . . . . . 5275 1
413 . 1 1 58 58 LEU N N 15 124.402 0.000 . 1 . . . . . . . . 5275 1
414 . 1 1 58 58 LEU H H 1 9.328 0.000 . 1 . . . . . . . . 5275 1
415 . 1 1 58 58 LEU CA C 13 53.394 0.000 . 1 . . . . . . . . 5275 1
416 . 1 1 58 58 LEU HA H 1 5.583 0.000 . 1 . . . . . . . . 5275 1
417 . 1 1 58 58 LEU CB C 13 45.582 0.000 . 1 . . . . . . . . 5275 1
418 . 1 1 58 58 LEU HB2 H 1 1.510 0.000 . 2 . . . . . . . . 5275 1
419 . 1 1 58 58 LEU HB3 H 1 1.646 0.000 . 2 . . . . . . . . 5275 1
420 . 1 1 58 58 LEU CG C 13 26.942 0.000 . 1 . . . . . . . . 5275 1
421 . 1 1 58 58 LEU HG H 1 1.141 0.000 . 1 . . . . . . . . 5275 1
422 . 1 1 58 58 LEU HD11 H 1 0.617 0.000 . 1 . . . . . . . . 5275 1
423 . 1 1 58 58 LEU HD12 H 1 0.617 0.000 . 1 . . . . . . . . 5275 1
424 . 1 1 58 58 LEU HD13 H 1 0.617 0.000 . 1 . . . . . . . . 5275 1
425 . 1 1 58 58 LEU HD21 H 1 0.695 0.000 . 1 . . . . . . . . 5275 1
426 . 1 1 58 58 LEU HD22 H 1 0.695 0.000 . 1 . . . . . . . . 5275 1
427 . 1 1 58 58 LEU HD23 H 1 0.695 0.000 . 1 . . . . . . . . 5275 1
428 . 1 1 58 58 LEU CD1 C 13 24.534 0.000 . 1 . . . . . . . . 5275 1
429 . 1 1 58 58 LEU CD2 C 13 25.220 0.000 . 1 . . . . . . . . 5275 1
430 . 1 1 58 58 LEU C C 13 173.596 0.000 . 1 . . . . . . . . 5275 1
431 . 1 1 59 59 ALA N N 15 128.155 0.000 . 1 . . . . . . . . 5275 1
432 . 1 1 59 59 ALA H H 1 9.649 0.000 . 1 . . . . . . . . 5275 1
433 . 1 1 59 59 ALA CA C 13 50.775 0.000 . 1 . . . . . . . . 5275 1
434 . 1 1 59 59 ALA HA H 1 5.499 0.000 . 1 . . . . . . . . 5275 1
435 . 1 1 59 59 ALA HB1 H 1 1.496 0.000 . 1 . . . . . . . . 5275 1
436 . 1 1 59 59 ALA HB2 H 1 1.496 0.000 . 1 . . . . . . . . 5275 1
437 . 1 1 59 59 ALA HB3 H 1 1.496 0.000 . 1 . . . . . . . . 5275 1
438 . 1 1 59 59 ALA CB C 13 23.736 0.000 . 1 . . . . . . . . 5275 1
439 . 1 1 59 59 ALA C C 13 175.413 0.000 . 1 . . . . . . . . 5275 1
440 . 1 1 60 60 THR N N 15 117.157 0.000 . 1 . . . . . . . . 5275 1
441 . 1 1 60 60 THR H H 1 8.581 0.000 . 1 . . . . . . . . 5275 1
442 . 1 1 60 60 THR CA C 13 61.931 0.000 . 1 . . . . . . . . 5275 1
443 . 1 1 60 60 THR HA H 1 5.570 0.000 . 1 . . . . . . . . 5275 1
444 . 1 1 60 60 THR CB C 13 70.510 0.000 . 1 . . . . . . . . 5275 1
445 . 1 1 60 60 THR HB H 1 3.574 0.000 . 1 . . . . . . . . 5275 1
446 . 1 1 60 60 THR HG21 H 1 0.741 0.000 . 1 . . . . . . . . 5275 1
447 . 1 1 60 60 THR HG22 H 1 0.741 0.000 . 1 . . . . . . . . 5275 1
448 . 1 1 60 60 THR HG23 H 1 0.741 0.000 . 1 . . . . . . . . 5275 1
449 . 1 1 60 60 THR CG2 C 13 22.126 0.000 . 1 . . . . . . . . 5275 1
450 . 1 1 60 60 THR C C 13 173.741 0.000 . 1 . . . . . . . . 5275 1
451 . 1 1 61 61 ILE N N 15 126.414 0.000 . 1 . . . . . . . . 5275 1
452 . 1 1 61 61 ILE H H 1 9.386 0.000 . 1 . . . . . . . . 5275 1
453 . 1 1 61 61 ILE CA C 13 59.235 0.000 . 1 . . . . . . . . 5275 1
454 . 1 1 61 61 ILE HA H 1 4.540 0.000 . 1 . . . . . . . . 5275 1
455 . 1 1 61 61 ILE CB C 13 40.897 0.000 . 1 . . . . . . . . 5275 1
456 . 1 1 61 61 ILE HB H 1 1.417 0.000 . 1 . . . . . . . . 5275 1
457 . 1 1 61 61 ILE HG21 H 1 0.390 0.000 . 1 . . . . . . . . 5275 1
458 . 1 1 61 61 ILE HG22 H 1 0.390 0.000 . 1 . . . . . . . . 5275 1
459 . 1 1 61 61 ILE HG23 H 1 0.390 0.000 . 1 . . . . . . . . 5275 1
460 . 1 1 61 61 ILE CG2 C 13 17.644 0.000 . 1 . . . . . . . . 5275 1
461 . 1 1 61 61 ILE CG1 C 13 22.120 0.000 . 1 . . . . . . . . 5275 1
462 . 1 1 61 61 ILE HG12 H 1 1.234 0.000 . 1 . . . . . . . . 5275 1
463 . 1 1 61 61 ILE HG13 H 1 1.398 0.000 . 1 . . . . . . . . 5275 1
464 . 1 1 61 61 ILE HD11 H 1 0.132 0.000 . 1 . . . . . . . . 5275 1
465 . 1 1 61 61 ILE HD12 H 1 0.132 0.000 . 1 . . . . . . . . 5275 1
466 . 1 1 61 61 ILE HD13 H 1 0.132 0.000 . 1 . . . . . . . . 5275 1
467 . 1 1 61 61 ILE CD1 C 13 13.168 0.000 . 1 . . . . . . . . 5275 1
468 . 1 1 61 61 ILE C C 13 173.276 0.000 . 1 . . . . . . . . 5275 1
469 . 1 1 62 62 LEU N N 15 127.254 0.000 . 1 . . . . . . . . 5275 1
470 . 1 1 62 62 LEU H H 1 8.989 0.000 . 1 . . . . . . . . 5275 1
471 . 1 1 62 62 LEU CA C 13 53.340 0.000 . 1 . . . . . . . . 5275 1
472 . 1 1 62 62 LEU HA H 1 5.061 0.000 . 1 . . . . . . . . 5275 1
473 . 1 1 62 62 LEU CB C 13 43.763 0.000 . 1 . . . . . . . . 5275 1
474 . 1 1 62 62 LEU HB2 H 1 2.002 0.000 . 2 . . . . . . . . 5275 1
475 . 1 1 62 62 LEU HB3 H 1 1.983 0.000 . 2 . . . . . . . . 5275 1
476 . 1 1 62 62 LEU CG C 13 26.600 0.000 . 1 . . . . . . . . 5275 1
477 . 1 1 62 62 LEU HG H 1 1.398 0.000 . 1 . . . . . . . . 5275 1
478 . 1 1 62 62 LEU HD11 H 1 -0.089 0.000 . 1 . . . . . . . . 5275 1
479 . 1 1 62 62 LEU HD12 H 1 -0.089 0.000 . 1 . . . . . . . . 5275 1
480 . 1 1 62 62 LEU HD13 H 1 -0.089 0.000 . 1 . . . . . . . . 5275 1
481 . 1 1 62 62 LEU HD21 H 1 0.463 0.000 . 1 . . . . . . . . 5275 1
482 . 1 1 62 62 LEU HD22 H 1 0.463 0.000 . 1 . . . . . . . . 5275 1
483 . 1 1 62 62 LEU HD23 H 1 0.463 0.000 . 1 . . . . . . . . 5275 1
484 . 1 1 62 62 LEU CD1 C 13 21.422 0.000 . 1 . . . . . . . . 5275 1
485 . 1 1 62 62 LEU CD2 C 13 24.534 0.000 . 1 . . . . . . . . 5275 1
486 . 1 1 62 62 LEU C C 13 175.496 0.000 . 1 . . . . . . . . 5275 1
487 . 1 1 63 63 VAL N N 15 130.657 0.000 . 1 . . . . . . . . 5275 1
488 . 1 1 63 63 VAL H H 1 9.600 0.000 . 1 . . . . . . . . 5275 1
489 . 1 1 63 63 VAL CA C 13 61.968 0.000 . 1 . . . . . . . . 5275 1
490 . 1 1 63 63 VAL HA H 1 4.099 0.000 . 1 . . . . . . . . 5275 1
491 . 1 1 63 63 VAL CB C 13 34.526 0.000 . 1 . . . . . . . . 5275 1
492 . 1 1 63 63 VAL HB H 1 1.980 0.000 . 1 . . . . . . . . 5275 1
493 . 1 1 63 63 VAL HG11 H 1 1.193 0.000 . 1 . . . . . . . . 5275 1
494 . 1 1 63 63 VAL HG12 H 1 1.193 0.000 . 1 . . . . . . . . 5275 1
495 . 1 1 63 63 VAL HG13 H 1 1.193 0.000 . 1 . . . . . . . . 5275 1
496 . 1 1 63 63 VAL HG21 H 1 0.925 0.000 . 1 . . . . . . . . 5275 1
497 . 1 1 63 63 VAL HG22 H 1 0.925 0.000 . 1 . . . . . . . . 5275 1
498 . 1 1 63 63 VAL HG23 H 1 0.925 0.000 . 1 . . . . . . . . 5275 1
499 . 1 1 63 63 VAL CG1 C 13 22.467 0.000 . 1 . . . . . . . . 5275 1
500 . 1 1 63 63 VAL CG2 C 13 21.249 0.000 . 1 . . . . . . . . 5275 1
501 . 1 1 63 63 VAL C C 13 173.048 0.000 . 1 . . . . . . . . 5275 1
502 . 1 1 64 64 GLU N N 15 131.889 0.000 . 1 . . . . . . . . 5275 1
503 . 1 1 64 64 GLU H H 1 10.967 0.000 . 1 . . . . . . . . 5275 1
504 . 1 1 64 64 GLU CA C 13 55.223 0.000 . 1 . . . . . . . . 5275 1
505 . 1 1 64 64 GLU HA H 1 4.099 0.000 . 1 . . . . . . . . 5275 1
506 . 1 1 64 64 GLU CB C 13 25.180 0.000 . 1 . . . . . . . . 5275 1
507 . 1 1 64 64 GLU HB2 H 1 1.195 0.000 . 1 . . . . . . . . 5275 1
508 . 1 1 64 64 GLU HB3 H 1 1.195 0.000 . 1 . . . . . . . . 5275 1
509 . 1 1 65 65 PRO CA C 13 62.517 0.000 . 1 . . . . . . . . 5275 1
510 . 1 1 65 65 PRO CB C 13 31.206 0.000 . 1 . . . . . . . . 5275 1
511 . 1 1 65 65 PRO HD2 H 1 3.119 0.000 . 1 . . . . . . . . 5275 1
512 . 1 1 65 65 PRO HD3 H 1 3.119 0.000 . 1 . . . . . . . . 5275 1
513 . 1 1 65 65 PRO C C 13 176.797 0.000 . 1 . . . . . . . . 5275 1
514 . 1 1 66 66 ASN N N 15 118.155 0.000 . 1 . . . . . . . . 5275 1
515 . 1 1 66 66 ASN H H 1 8.293 0.000 . 1 . . . . . . . . 5275 1
516 . 1 1 66 66 ASN CA C 13 53.490 0.000 . 1 . . . . . . . . 5275 1
517 . 1 1 66 66 ASN HA H 1 4.055 0.000 . 1 . . . . . . . . 5275 1
518 . 1 1 66 66 ASN CB C 13 37.189 0.000 . 1 . . . . . . . . 5275 1
519 . 1 1 66 66 ASN HB2 H 1 2.214 0.000 . 2 . . . . . . . . 5275 1
520 . 1 1 66 66 ASN HB3 H 1 3.315 0.000 . 2 . . . . . . . . 5275 1
521 . 1 1 66 66 ASN ND2 N 15 111.994 0.000 . 1 . . . . . . . . 5275 1
522 . 1 1 66 66 ASN HD21 H 1 7.596 0.000 . 2 . . . . . . . . 5275 1
523 . 1 1 66 66 ASN HD22 H 1 6.731 0.000 . 2 . . . . . . . . 5275 1
524 . 1 1 66 66 ASN C C 13 173.699 0.000 . 1 . . . . . . . . 5275 1
525 . 1 1 67 67 VAL N N 15 122.027 0.000 . 1 . . . . . . . . 5275 1
526 . 1 1 67 67 VAL H H 1 8.475 0.000 . 1 . . . . . . . . 5275 1
527 . 1 1 67 67 VAL CA C 13 61.249 0.000 . 1 . . . . . . . . 5275 1
528 . 1 1 67 67 VAL HA H 1 4.248 0.000 . 1 . . . . . . . . 5275 1
529 . 1 1 67 67 VAL CB C 13 34.689 0.000 . 1 . . . . . . . . 5275 1
530 . 1 1 67 67 VAL HB H 1 1.537 0.000 . 1 . . . . . . . . 5275 1
531 . 1 1 67 67 VAL HG11 H 1 0.751 0.000 . 1 . . . . . . . . 5275 1
532 . 1 1 67 67 VAL HG12 H 1 0.751 0.000 . 1 . . . . . . . . 5275 1
533 . 1 1 67 67 VAL HG13 H 1 0.751 0.000 . 1 . . . . . . . . 5275 1
534 . 1 1 67 67 VAL HG21 H 1 0.686 0.000 . 1 . . . . . . . . 5275 1
535 . 1 1 67 67 VAL HG22 H 1 0.686 0.000 . 1 . . . . . . . . 5275 1
536 . 1 1 67 67 VAL HG23 H 1 0.686 0.000 . 1 . . . . . . . . 5275 1
537 . 1 1 67 67 VAL CG1 C 13 20.743 0.000 . 1 . . . . . . . . 5275 1
538 . 1 1 67 67 VAL CG2 C 13 21.776 0.000 . 1 . . . . . . . . 5275 1
539 . 1 1 67 67 VAL C C 13 177.385 0.000 . 1 . . . . . . . . 5275 1
540 . 1 1 68 68 THR N N 15 125.364 0.000 . 1 . . . . . . . . 5275 1
541 . 1 1 68 68 THR H H 1 8.496 0.000 . 1 . . . . . . . . 5275 1
542 . 1 1 68 68 THR CA C 13 62.631 0.000 . 1 . . . . . . . . 5275 1
543 . 1 1 68 68 THR HA H 1 4.130 0.000 . 1 . . . . . . . . 5275 1
544 . 1 1 68 68 THR CB C 13 68.913 0.000 . 1 . . . . . . . . 5275 1
545 . 1 1 68 68 THR HB H 1 4.154 0.000 . 1 . . . . . . . . 5275 1
546 . 1 1 68 68 THR HG21 H 1 1.266 0.000 . 1 . . . . . . . . 5275 1
547 . 1 1 68 68 THR HG22 H 1 1.266 0.000 . 1 . . . . . . . . 5275 1
548 . 1 1 68 68 THR HG23 H 1 1.266 0.000 . 1 . . . . . . . . 5275 1
549 . 1 1 68 68 THR CG2 C 13 21.434 0.000 . 1 . . . . . . . . 5275 1
550 . 1 1 68 68 THR C C 13 173.607 0.000 . 1 . . . . . . . . 5275 1
551 . 1 1 69 69 SER H H 1 7.930 0.000 . 1 . . . . . . . . 5275 1
552 . 1 1 69 69 SER N N 15 113.638 0.000 . 1 . . . . . . . . 5275 1
553 . 1 1 69 69 SER CA C 13 59.028 0.000 . 1 . . . . . . . . 5275 1
554 . 1 1 69 69 SER HA H 1 4.758 0.000 . 1 . . . . . . . . 5275 1
555 . 1 1 69 69 SER CB C 13 63.331 0.000 . 1 . . . . . . . . 5275 1
556 . 1 1 69 69 SER HB2 H 1 3.704 0.000 . 2 . . . . . . . . 5275 1
557 . 1 1 69 69 SER HB3 H 1 3.767 0.000 . 2 . . . . . . . . 5275 1
558 . 1 1 69 69 SER C C 13 174.959 0.000 . 1 . . . . . . . . 5275 1
559 . 1 1 70 70 GLU N N 15 125.837 0.000 . 1 . . . . . . . . 5275 1
560 . 1 1 70 70 GLU H H 1 9.055 0.000 . 1 . . . . . . . . 5275 1
561 . 1 1 70 70 GLU CA C 13 54.996 0.000 . 1 . . . . . . . . 5275 1
562 . 1 1 70 70 GLU HA H 1 4.661 0.000 . 1 . . . . . . . . 5275 1
563 . 1 1 70 70 GLU CB C 13 32.190 0.000 . 1 . . . . . . . . 5275 1
564 . 1 1 70 70 GLU HB2 H 1 1.927 0.000 . 2 . . . . . . . . 5275 1
565 . 1 1 70 70 GLU HB3 H 1 2.109 0.000 . 2 . . . . . . . . 5275 1
566 . 1 1 70 70 GLU HG3 H 1 2.272 0.000 . 2 . . . . . . . . 5275 1
567 . 1 1 70 70 GLU C C 13 174.339 0.000 . 1 . . . . . . . . 5275 1
568 . 1 1 71 71 THR H H 1 8.912 0.000 . 1 . . . . . . . . 5275 1
569 . 1 1 71 71 THR N N 15 120.993 0.000 . 1 . . . . . . . . 5275 1
570 . 1 1 71 71 THR CA C 13 62.409 0.000 . 1 . . . . . . . . 5275 1
571 . 1 1 71 71 THR HA H 1 4.728 0.000 . 1 . . . . . . . . 5275 1
572 . 1 1 71 71 THR HB H 1 3.941 0.000 . 1 . . . . . . . . 5275 1
573 . 1 1 71 71 THR CG2 C 13 22.123 0.000 . 1 . . . . . . . . 5275 1
574 . 1 1 71 71 THR HG21 H 1 1.096 0.000 . 1 . . . . . . . . 5275 1
575 . 1 1 71 71 THR HG22 H 1 1.096 0.000 . 1 . . . . . . . . 5275 1
576 . 1 1 71 71 THR HG23 H 1 1.096 0.000 . 1 . . . . . . . . 5275 1
577 . 1 1 71 71 THR CB C 13 68.719 0.000 . 1 . . . . . . . . 5275 1
578 . 1 1 71 71 THR C C 13 174.174 0.000 . 1 . . . . . . . . 5275 1
579 . 1 1 72 72 ARG N N 15 129.264 0.000 . 1 . . . . . . . . 5275 1
580 . 1 1 72 72 ARG H H 1 8.805 0.000 . 1 . . . . . . . . 5275 1
581 . 1 1 72 72 ARG CA C 13 55.121 0.000 . 1 . . . . . . . . 5275 1
582 . 1 1 72 72 ARG HA H 1 4.570 0.000 . 1 . . . . . . . . 5275 1
583 . 1 1 72 72 ARG CB C 13 33.737 0.000 . 1 . . . . . . . . 5275 1
584 . 1 1 72 72 ARG HB2 H 1 1.303 0.000 . 2 . . . . . . . . 5275 1
585 . 1 1 72 72 ARG HB3 H 1 1.744 0.000 . 2 . . . . . . . . 5275 1
586 . 1 1 72 72 ARG HG2 H 1 1.617 0.000 . 1 . . . . . . . . 5275 1
587 . 1 1 72 72 ARG HG3 H 1 1.617 0.000 . 1 . . . . . . . . 5275 1
588 . 1 1 72 72 ARG HD2 H 1 3.150 0.000 . 2 . . . . . . . . 5275 1
589 . 1 1 72 72 ARG HD3 H 1 3.005 0.000 . 2 . . . . . . . . 5275 1
590 . 1 1 72 72 ARG C C 13 173.532 0.000 . 1 . . . . . . . . 5275 1
591 . 1 1 73 73 SER N N 15 114.987 0.000 . 1 . . . . . . . . 5275 1
592 . 1 1 73 73 SER H H 1 7.974 0.000 . 1 . . . . . . . . 5275 1
593 . 1 1 73 73 SER CA C 13 56.527 0.000 . 1 . . . . . . . . 5275 1
594 . 1 1 73 73 SER HA H 1 5.262 0.000 . 1 . . . . . . . . 5275 1
595 . 1 1 73 73 SER CB C 13 64.464 0.000 . 1 . . . . . . . . 5275 1
596 . 1 1 73 73 SER HB2 H 1 3.599 0.000 . 2 . . . . . . . . 5275 1
597 . 1 1 73 73 SER HB3 H 1 3.545 0.000 . 2 . . . . . . . . 5275 1
598 . 1 1 73 73 SER C C 13 173.793 0.000 . 1 . . . . . . . . 5275 1
599 . 1 1 74 74 TYR N N 15 123.670 0.000 . 1 . . . . . . . . 5275 1
600 . 1 1 74 74 TYR H H 1 8.990 0.000 . 1 . . . . . . . . 5275 1
601 . 1 1 74 74 TYR CA C 13 56.295 0.000 . 1 . . . . . . . . 5275 1
602 . 1 1 74 74 TYR HA H 1 4.663 0.000 . 1 . . . . . . . . 5275 1
603 . 1 1 74 74 TYR CB C 13 42.437 0.000 . 1 . . . . . . . . 5275 1
604 . 1 1 74 74 TYR HB2 H 1 2.676 0.000 . 2 . . . . . . . . 5275 1
605 . 1 1 74 74 TYR HB3 H 1 2.196 0.000 . 2 . . . . . . . . 5275 1
606 . 1 1 74 74 TYR HE1 H 1 6.521 0.000 . 1 . . . . . . . . 5275 1
607 . 1 1 74 74 TYR HE2 H 1 6.521 0.000 . 1 . . . . . . . . 5275 1
608 . 1 1 74 74 TYR HD1 H 1 6.838 0.000 . 1 . . . . . . . . 5275 1
609 . 1 1 74 74 TYR HD2 H 1 6.838 0.000 . 1 . . . . . . . . 5275 1
610 . 1 1 74 74 TYR C C 13 174.732 0.000 . 1 . . . . . . . . 5275 1
611 . 1 1 75 75 THR N N 15 121.020 0.000 . 1 . . . . . . . . 5275 1
612 . 1 1 75 75 THR H H 1 8.884 0.000 . 1 . . . . . . . . 5275 1
613 . 1 1 75 75 THR CA C 13 62.149 0.000 . 1 . . . . . . . . 5275 1
614 . 1 1 75 75 THR HA H 1 4.558 0.000 . 1 . . . . . . . . 5275 1
615 . 1 1 75 75 THR CB C 13 67.704 0.000 . 1 . . . . . . . . 5275 1
616 . 1 1 75 75 THR HB H 1 3.981 0.000 . 1 . . . . . . . . 5275 1
617 . 1 1 75 75 THR HG21 H 1 0.987 0.000 . 1 . . . . . . . . 5275 1
618 . 1 1 75 75 THR HG22 H 1 0.987 0.000 . 1 . . . . . . . . 5275 1
619 . 1 1 75 75 THR HG23 H 1 0.987 0.000 . 1 . . . . . . . . 5275 1
620 . 1 1 75 75 THR CG2 C 13 21.088 0.000 . 1 . . . . . . . . 5275 1
621 . 1 1 75 75 THR C C 13 173.607 0.000 . 1 . . . . . . . . 5275 1
622 . 1 1 76 76 LEU N N 15 129.407 0.000 . 1 . . . . . . . . 5275 1
623 . 1 1 76 76 LEU H H 1 8.741 0.000 . 1 . . . . . . . . 5275 1
624 . 1 1 76 76 LEU CA C 13 52.759 0.000 . 1 . . . . . . . . 5275 1
625 . 1 1 76 76 LEU HA H 1 4.813 0.000 . 1 . . . . . . . . 5275 1
626 . 1 1 76 76 LEU CB C 13 43.534 0.000 . 1 . . . . . . . . 5275 1
627 . 1 1 76 76 LEU HB2 H 1 1.896 0.000 . 1 . . . . . . . . 5275 1
628 . 1 1 76 76 LEU HB3 H 1 1.896 0.000 . 1 . . . . . . . . 5275 1
629 . 1 1 76 76 LEU CG C 13 25.908 0.000 . 1 . . . . . . . . 5275 1
630 . 1 1 76 76 LEU HG H 1 1.299 0.000 . 1 . . . . . . . . 5275 1
631 . 1 1 76 76 LEU HD11 H 1 0.272 0.000 . 1 . . . . . . . . 5275 1
632 . 1 1 76 76 LEU HD12 H 1 0.272 0.000 . 1 . . . . . . . . 5275 1
633 . 1 1 76 76 LEU HD13 H 1 0.272 0.000 . 1 . . . . . . . . 5275 1
634 . 1 1 76 76 LEU HD21 H 1 0.567 0.000 . 1 . . . . . . . . 5275 1
635 . 1 1 76 76 LEU HD22 H 1 0.567 0.000 . 1 . . . . . . . . 5275 1
636 . 1 1 76 76 LEU HD23 H 1 0.567 0.000 . 1 . . . . . . . . 5275 1
637 . 1 1 76 76 LEU CD1 C 13 25.564 0.000 . 1 . . . . . . . . 5275 1
638 . 1 1 76 76 LEU CD2 C 13 24.531 0.000 . 1 . . . . . . . . 5275 1
639 . 1 1 76 76 LEU C C 13 176.838 0.000 . 1 . . . . . . . . 5275 1
640 . 1 1 77 77 PHE N N 15 129.264 0.000 . 1 . . . . . . . . 5275 1
641 . 1 1 77 77 PHE H H 1 10.586 0.000 . 1 . . . . . . . . 5275 1
642 . 1 1 77 77 PHE CA C 13 58.868 0.000 . 1 . . . . . . . . 5275 1
643 . 1 1 77 77 PHE HA H 1 4.266 0.000 . 1 . . . . . . . . 5275 1
644 . 1 1 77 77 PHE CB C 13 36.154 0.000 . 1 . . . . . . . . 5275 1
645 . 1 1 77 77 PHE HB2 H 1 3.273 0.000 . 2 . . . . . . . . 5275 1
646 . 1 1 77 77 PHE HB3 H 1 3.466 0.000 . 2 . . . . . . . . 5275 1
647 . 1 1 77 77 PHE HZ H 1 7.330 0.000 . 1 . . . . . . . . 5275 1
648 . 1 1 77 77 PHE HD1 H 1 7.439 0.000 . 1 . . . . . . . . 5275 1
649 . 1 1 77 77 PHE HD2 H 1 7.439 0.000 . 1 . . . . . . . . 5275 1
650 . 1 1 77 77 PHE HE1 H 1 7.786 0.000 . 1 . . . . . . . . 5275 1
651 . 1 1 77 77 PHE HE2 H 1 7.786 0.000 . 1 . . . . . . . . 5275 1
652 . 1 1 77 77 PHE C C 13 177.829 0.000 . 1 . . . . . . . . 5275 1
653 . 1 1 78 78 GLY N N 15 104.045 0.000 . 1 . . . . . . . . 5275 1
654 . 1 1 78 78 GLY H H 1 8.740 0.000 . 1 . . . . . . . . 5275 1
655 . 1 1 78 78 GLY CA C 13 45.626 0.000 . 1 . . . . . . . . 5275 1
656 . 1 1 78 78 GLY HA2 H 1 3.607 0.000 . 2 . . . . . . . . 5275 1
657 . 1 1 78 78 GLY HA3 H 1 4.314 0.000 . 2 . . . . . . . . 5275 1
658 . 1 1 78 78 GLY C C 13 174.196 0.000 . 1 . . . . . . . . 5275 1
659 . 1 1 79 79 THR H H 1 8.060 0.000 . 1 . . . . . . . . 5275 1
660 . 1 1 79 79 THR N N 15 118.515 0.000 . 1 . . . . . . . . 5275 1
661 . 1 1 79 79 THR CA C 13 60.876 0.000 . 1 . . . . . . . . 5275 1
662 . 1 1 79 79 THR HA H 1 4.673 0.000 . 1 . . . . . . . . 5275 1
663 . 1 1 79 79 THR CB C 13 71.461 0.000 . 1 . . . . . . . . 5275 1
664 . 1 1 79 79 THR HB H 1 4.144 0.000 . 1 . . . . . . . . 5275 1
665 . 1 1 79 79 THR CG2 C 13 21.431 0.000 . 1 . . . . . . . . 5275 1
666 . 1 1 79 79 THR HG21 H 1 1.314 0.000 . 1 . . . . . . . . 5275 1
667 . 1 1 79 79 THR HG22 H 1 1.314 0.000 . 1 . . . . . . . . 5275 1
668 . 1 1 79 79 THR HG23 H 1 1.314 0.000 . 1 . . . . . . . . 5275 1
669 . 1 1 79 79 THR C C 13 172.677 0.000 . 1 . . . . . . . . 5275 1
670 . 1 1 80 80 GLN N N 15 126.666 0.000 . 1 . . . . . . . . 5275 1
671 . 1 1 80 80 GLN H H 1 8.742 0.000 . 1 . . . . . . . . 5275 1
672 . 1 1 80 80 GLN CA C 13 56.767 0.000 . 1 . . . . . . . . 5275 1
673 . 1 1 80 80 GLN HA H 1 4.543 0.000 . 1 . . . . . . . . 5275 1
674 . 1 1 80 80 GLN CB C 13 28.691 0.000 . 1 . . . . . . . . 5275 1
675 . 1 1 80 80 GLN HB2 H 1 1.986 0.000 . 2 . . . . . . . . 5275 1
676 . 1 1 80 80 GLN HB3 H 1 2.048 0.000 . 2 . . . . . . . . 5275 1
677 . 1 1 80 80 GLN CG C 13 34.521 0.000 . 1 . . . . . . . . 5275 1
678 . 1 1 80 80 GLN HG2 H 1 2.273 0.000 . 2 . . . . . . . . 5275 1
679 . 1 1 80 80 GLN HG3 H 1 2.310 0.000 . 2 . . . . . . . . 5275 1
680 . 1 1 80 80 GLN C C 13 175.382 0.000 . 1 . . . . . . . . 5275 1
681 . 1 1 81 81 GLU N N 15 126.766 0.000 . 1 . . . . . . . . 5275 1
682 . 1 1 81 81 GLU H H 1 9.339 0.000 . 1 . . . . . . . . 5275 1
683 . 1 1 81 81 GLU CA C 13 53.957 0.000 . 1 . . . . . . . . 5275 1
684 . 1 1 81 81 GLU HA H 1 4.962 0.000 . 1 . . . . . . . . 5275 1
685 . 1 1 81 81 GLU CB C 13 31.984 0.000 . 1 . . . . . . . . 5275 1
686 . 1 1 81 81 GLU HB2 H 1 1.666 0.000 . 2 . . . . . . . . 5275 1
687 . 1 1 81 81 GLU HB3 H 1 2.093 0.000 . 2 . . . . . . . . 5275 1
688 . 1 1 81 81 GLU HG2 H 1 2.428 0.000 . 2 . . . . . . . . 5275 1
689 . 1 1 81 81 GLU HG3 H 1 2.607 0.000 . 2 . . . . . . . . 5275 1
690 . 1 1 81 81 GLU C C 13 175.558 0.000 . 1 . . . . . . . . 5275 1
691 . 1 1 82 82 GLN N N 15 121.247 0.000 . 1 . . . . . . . . 5275 1
692 . 1 1 82 82 GLN H H 1 8.793 0.000 . 1 . . . . . . . . 5275 1
693 . 1 1 82 82 GLN CA C 13 54.443 0.000 . 1 . . . . . . . . 5275 1
694 . 1 1 82 82 GLN HA H 1 5.191 0.000 . 1 . . . . . . . . 5275 1
695 . 1 1 82 82 GLN CB C 13 29.490 0.000 . 1 . . . . . . . . 5275 1
696 . 1 1 82 82 GLN HB2 H 1 1.745 0.000 . 2 . . . . . . . . 5275 1
697 . 1 1 82 82 GLN HB3 H 1 2.030 0.000 . 2 . . . . . . . . 5275 1
698 . 1 1 82 82 GLN CG C 13 33.828 0.000 . 1 . . . . . . . . 5275 1
699 . 1 1 82 82 GLN HG2 H 1 2.264 0.000 . 2 . . . . . . . . 5275 1
700 . 1 1 82 82 GLN HG3 H 1 2.338 0.000 . 2 . . . . . . . . 5275 1
701 . 1 1 82 82 GLN NE2 N 15 111.449 0.000 . 1 . . . . . . . . 5275 1
702 . 1 1 82 82 GLN HE21 H 1 6.751 0.000 . 2 . . . . . . . . 5275 1
703 . 1 1 82 82 GLN HE22 H 1 7.399 0.000 . 2 . . . . . . . . 5275 1
704 . 1 1 82 82 GLN C C 13 175.888 0.000 . 1 . . . . . . . . 5275 1
705 . 1 1 83 83 ILE N N 15 125.362 0.000 . 1 . . . . . . . . 5275 1
706 . 1 1 83 83 ILE H H 1 9.123 0.000 . 1 . . . . . . . . 5275 1
707 . 1 1 83 83 ILE CA C 13 59.336 0.000 . 1 . . . . . . . . 5275 1
708 . 1 1 83 83 ILE HA H 1 4.470 0.000 . 1 . . . . . . . . 5275 1
709 . 1 1 83 83 ILE CB C 13 40.386 0.000 . 1 . . . . . . . . 5275 1
710 . 1 1 83 83 ILE HB H 1 1.917 0.000 . 1 . . . . . . . . 5275 1
711 . 1 1 83 83 ILE HG21 H 1 0.780 0.000 . 1 . . . . . . . . 5275 1
712 . 1 1 83 83 ILE HG22 H 1 0.780 0.000 . 1 . . . . . . . . 5275 1
713 . 1 1 83 83 ILE HG23 H 1 0.780 0.000 . 1 . . . . . . . . 5275 1
714 . 1 1 83 83 ILE CG2 C 13 16.611 0.000 . 1 . . . . . . . . 5275 1
715 . 1 1 83 83 ILE CG1 C 13 26.597 0.000 . 1 . . . . . . . . 5275 1
716 . 1 1 83 83 ILE HG12 H 1 1.355 0.000 . 1 . . . . . . . . 5275 1
717 . 1 1 83 83 ILE HG13 H 1 1.292 0.000 . 1 . . . . . . . . 5275 1
718 . 1 1 83 83 ILE HD11 H 1 0.555 0.000 . 1 . . . . . . . . 5275 1
719 . 1 1 83 83 ILE HD12 H 1 0.555 0.000 . 1 . . . . . . . . 5275 1
720 . 1 1 83 83 ILE HD13 H 1 0.555 0.000 . 1 . . . . . . . . 5275 1
721 . 1 1 83 83 ILE CD1 C 13 11.102 0.000 . 1 . . . . . . . . 5275 1
722 . 1 1 83 83 ILE C C 13 174.866 0.000 . 1 . . . . . . . . 5275 1
723 . 1 1 84 84 THR N N 15 126.182 0.000 . 1 . . . . . . . . 5275 1
724 . 1 1 84 84 THR H H 1 8.951 0.000 . 1 . . . . . . . . 5275 1
725 . 1 1 84 84 THR CA C 13 62.977 0.000 . 1 . . . . . . . . 5275 1
726 . 1 1 84 84 THR HA H 1 4.898 0.000 . 1 . . . . . . . . 5275 1
727 . 1 1 84 84 THR CB C 13 68.536 0.000 . 1 . . . . . . . . 5275 1
728 . 1 1 84 84 THR HB H 1 3.995 0.000 . 1 . . . . . . . . 5275 1
729 . 1 1 84 84 THR HG21 H 1 1.080 0.000 . 1 . . . . . . . . 5275 1
730 . 1 1 84 84 THR HG22 H 1 1.080 0.000 . 1 . . . . . . . . 5275 1
731 . 1 1 84 84 THR HG23 H 1 1.080 0.000 . 1 . . . . . . . . 5275 1
732 . 1 1 84 84 THR CG2 C 13 21.088 0.000 . 1 . . . . . . . . 5275 1
733 . 1 1 84 84 THR C C 13 173.968 0.000 . 1 . . . . . . . . 5275 1
734 . 1 1 85 85 ILE N N 15 123.924 0.000 . 1 . . . . . . . . 5275 1
735 . 1 1 85 85 ILE H H 1 9.131 0.000 . 1 . . . . . . . . 5275 1
736 . 1 1 85 85 ILE CA C 13 57.591 0.000 . 1 . . . . . . . . 5275 1
737 . 1 1 85 85 ILE HA H 1 4.926 0.000 . 1 . . . . . . . . 5275 1
738 . 1 1 85 85 ILE CB C 13 43.290 0.000 . 1 . . . . . . . . 5275 1
739 . 1 1 85 85 ILE HB H 1 1.854 0.000 . 1 . . . . . . . . 5275 1
740 . 1 1 85 85 ILE HG21 H 1 0.925 0.000 . 1 . . . . . . . . 5275 1
741 . 1 1 85 85 ILE HG22 H 1 0.925 0.000 . 1 . . . . . . . . 5275 1
742 . 1 1 85 85 ILE HG23 H 1 0.925 0.000 . 1 . . . . . . . . 5275 1
743 . 1 1 85 85 ILE CG2 C 13 17.299 0.000 . 1 . . . . . . . . 5275 1
744 . 1 1 85 85 ILE CG1 C 13 26.942 0.000 . 1 . . . . . . . . 5275 1
745 . 1 1 85 85 ILE HG12 H 1 1.655 0.000 . 1 . . . . . . . . 5275 1
746 . 1 1 85 85 ILE HG13 H 1 1.512 0.000 . 1 . . . . . . . . 5275 1
747 . 1 1 85 85 ILE HD11 H 1 0.862 0.000 . 1 . . . . . . . . 5275 1
748 . 1 1 85 85 ILE HD12 H 1 0.862 0.000 . 1 . . . . . . . . 5275 1
749 . 1 1 85 85 ILE HD13 H 1 0.862 0.000 . 1 . . . . . . . . 5275 1
750 . 1 1 85 85 ILE CD1 C 13 13.856 0.000 . 1 . . . . . . . . 5275 1
751 . 1 1 85 85 ILE C C 13 173.803 0.000 . 1 . . . . . . . . 5275 1
752 . 1 1 86 86 ALA N N 15 117.886 0.000 . 1 . . . . . . . . 5275 1
753 . 1 1 86 86 ALA H H 1 7.391 0.000 . 1 . . . . . . . . 5275 1
754 . 1 1 86 86 ALA CA C 13 51.497 0.000 . 1 . . . . . . . . 5275 1
755 . 1 1 86 86 ALA HA H 1 4.157 0.000 . 1 . . . . . . . . 5275 1
756 . 1 1 86 86 ALA HB1 H 1 1.385 0.000 . 1 . . . . . . . . 5275 1
757 . 1 1 86 86 ALA HB2 H 1 1.385 0.000 . 1 . . . . . . . . 5275 1
758 . 1 1 86 86 ALA HB3 H 1 1.385 0.000 . 1 . . . . . . . . 5275 1
759 . 1 1 86 86 ALA CB C 13 22.496 0.000 . 1 . . . . . . . . 5275 1
760 . 1 1 86 86 ALA C C 13 176.466 0.000 . 1 . . . . . . . . 5275 1
761 . 1 1 87 87 ASN N N 15 115.802 0.000 . 1 . . . . . . . . 5275 1
762 . 1 1 87 87 ASN H H 1 9.530 0.000 . 1 . . . . . . . . 5275 1
763 . 1 1 87 87 ASN CA C 13 52.919 0.000 . 1 . . . . . . . . 5275 1
764 . 1 1 87 87 ASN HA H 1 4.806 0.000 . 1 . . . . . . . . 5275 1
765 . 1 1 87 87 ASN CB C 13 38.790 0.000 . 1 . . . . . . . . 5275 1
766 . 1 1 87 87 ASN HB2 H 1 2.456 0.000 . 2 . . . . . . . . 5275 1
767 . 1 1 87 87 ASN HB3 H 1 3.117 0.000 . 2 . . . . . . . . 5275 1
768 . 1 1 87 87 ASN HD21 H 1 6.985 0.000 . 2 . . . . . . . . 5275 1
769 . 1 1 87 87 ASN HD22 H 1 7.838 0.000 . 2 . . . . . . . . 5275 1
770 . 1 1 87 87 ASN C C 13 173.431 0.000 . 1 . . . . . . . . 5275 1
771 . 1 1 88 88 ALA N N 15 127.503 0.000 . 1 . . . . . . . . 5275 1
772 . 1 1 88 88 ALA H H 1 8.819 0.000 . 1 . . . . . . . . 5275 1
773 . 1 1 88 88 ALA CA C 13 52.430 0.000 . 1 . . . . . . . . 5275 1
774 . 1 1 88 88 ALA HA H 1 4.275 0.000 . 1 . . . . . . . . 5275 1
775 . 1 1 88 88 ALA HB1 H 1 1.457 0.000 . 1 . . . . . . . . 5275 1
776 . 1 1 88 88 ALA HB2 H 1 1.457 0.000 . 1 . . . . . . . . 5275 1
777 . 1 1 88 88 ALA HB3 H 1 1.457 0.000 . 1 . . . . . . . . 5275 1
778 . 1 1 88 88 ALA CB C 13 18.548 0.000 . 1 . . . . . . . . 5275 1
779 . 1 1 88 88 ALA C C 13 178.717 0.000 . 1 . . . . . . . . 5275 1
780 . 1 1 89 89 SER N N 15 111.994 0.000 . 1 . . . . . . . . 5275 1
781 . 1 1 89 89 SER H H 1 7.480 0.000 . 1 . . . . . . . . 5275 1
782 . 1 1 89 89 SER CA C 13 58.220 0.000 . 1 . . . . . . . . 5275 1
783 . 1 1 89 89 SER HA H 1 4.251 0.000 . 1 . . . . . . . . 5275 1
784 . 1 1 89 89 SER CB C 13 63.670 0.000 . 1 . . . . . . . . 5275 1
785 . 1 1 89 89 SER HB2 H 1 4.187 0.000 . 2 . . . . . . . . 5275 1
786 . 1 1 89 89 SER HB3 H 1 3.966 0.000 . 2 . . . . . . . . 5275 1
787 . 1 1 89 89 SER C C 13 175.991 0.000 . 1 . . . . . . . . 5275 1
788 . 1 1 90 90 GLN N N 15 123.154 0.000 . 1 . . . . . . . . 5275 1
789 . 1 1 90 90 GLN H H 1 8.941 0.000 . 1 . . . . . . . . 5275 1
790 . 1 1 90 90 GLN CA C 13 56.535 0.000 . 1 . . . . . . . . 5275 1
791 . 1 1 90 90 GLN HA H 1 4.232 0.000 . 1 . . . . . . . . 5275 1
792 . 1 1 90 90 GLN CB C 13 29.286 0.000 . 1 . . . . . . . . 5275 1
793 . 1 1 90 90 GLN HB2 H 1 2.042 0.000 . 2 . . . . . . . . 5275 1
794 . 1 1 90 90 GLN HB3 H 1 2.288 0.000 . 2 . . . . . . . . 5275 1
795 . 1 1 90 90 GLN CG C 13 34.173 0.000 . 1 . . . . . . . . 5275 1
796 . 1 1 90 90 GLN HG2 H 1 2.443 0.000 . 2 . . . . . . . . 5275 1
797 . 1 1 90 90 GLN HG3 H 1 2.495 0.000 . 2 . . . . . . . . 5275 1
798 . 1 1 90 90 GLN C C 13 177.251 0.000 . 1 . . . . . . . . 5275 1
799 . 1 1 91 91 THR N N 15 105.500 0.000 . 1 . . . . . . . . 5275 1
800 . 1 1 91 91 THR H H 1 7.914 0.000 . 1 . . . . . . . . 5275 1
801 . 1 1 91 91 THR CA C 13 61.240 0.000 . 1 . . . . . . . . 5275 1
802 . 1 1 91 91 THR HA H 1 4.543 0.000 . 1 . . . . . . . . 5275 1
803 . 1 1 91 91 THR CB C 13 70.739 0.000 . 1 . . . . . . . . 5275 1
804 . 1 1 91 91 THR HB H 1 4.261 0.000 . 1 . . . . . . . . 5275 1
805 . 1 1 91 91 THR HG21 H 1 1.174 0.000 . 1 . . . . . . . . 5275 1
806 . 1 1 91 91 THR HG22 H 1 1.174 0.000 . 1 . . . . . . . . 5275 1
807 . 1 1 91 91 THR HG23 H 1 1.174 0.000 . 1 . . . . . . . . 5275 1
808 . 1 1 91 91 THR CG2 C 13 21.434 0.000 . 1 . . . . . . . . 5275 1
809 . 1 1 91 91 THR C C 13 174.567 0.000 . 1 . . . . . . . . 5275 1
810 . 1 1 92 92 GLN N N 15 121.093 0.000 . 1 . . . . . . . . 5275 1
811 . 1 1 92 92 GLN H H 1 8.652 0.000 . 1 . . . . . . . . 5275 1
812 . 1 1 92 92 GLN CA C 13 55.715 0.000 . 1 . . . . . . . . 5275 1
813 . 1 1 92 92 GLN HA H 1 4.791 0.000 . 1 . . . . . . . . 5275 1
814 . 1 1 92 92 GLN CB C 13 31.735 0.000 . 1 . . . . . . . . 5275 1
815 . 1 1 92 92 GLN HB2 H 1 2.148 0.000 . 2 . . . . . . . . 5275 1
816 . 1 1 92 92 GLN HB3 H 1 2.399 0.000 . 2 . . . . . . . . 5275 1
817 . 1 1 92 92 GLN HG3 H 1 2.249 0.000 . 2 . . . . . . . . 5275 1
818 . 1 1 92 92 GLN NE2 N 15 112.266 0.000 . 1 . . . . . . . . 5275 1
819 . 1 1 92 92 GLN HE21 H 1 7.260 0.000 . 2 . . . . . . . . 5275 1
820 . 1 1 92 92 GLN HE22 H 1 6.609 0.000 . 2 . . . . . . . . 5275 1
821 . 1 1 92 92 GLN C C 13 175.744 0.000 . 1 . . . . . . . . 5275 1
822 . 1 1 93 93 TRP N N 15 124.533 0.000 . 1 . . . . . . . . 5275 1
823 . 1 1 93 93 TRP H H 1 8.751 0.000 . 1 . . . . . . . . 5275 1
824 . 1 1 93 93 TRP CA C 13 57.823 0.000 . 1 . . . . . . . . 5275 1
825 . 1 1 93 93 TRP HA H 1 3.962 0.000 . 1 . . . . . . . . 5275 1
826 . 1 1 93 93 TRP CB C 13 29.267 0.000 . 1 . . . . . . . . 5275 1
827 . 1 1 93 93 TRP HB2 H 1 3.269 0.000 . 2 . . . . . . . . 5275 1
828 . 1 1 93 93 TRP HB3 H 1 2.918 0.000 . 2 . . . . . . . . 5275 1
829 . 1 1 93 93 TRP NE1 N 15 132.864 0.000 . 1 . . . . . . . . 5275 1
830 . 1 1 93 93 TRP HD1 H 1 7.577 0.000 . 1 . . . . . . . . 5275 1
831 . 1 1 93 93 TRP HE3 H 1 7.122 0.000 . 1 . . . . . . . . 5275 1
832 . 1 1 93 93 TRP HE1 H 1 10.518 0.000 . 1 . . . . . . . . 5275 1
833 . 1 1 93 93 TRP HZ3 H 1 6.817 0.000 . 1 . . . . . . . . 5275 1
834 . 1 1 93 93 TRP HZ2 H 1 7.593 0.000 . 1 . . . . . . . . 5275 1
835 . 1 1 93 93 TRP HH2 H 1 7.325 0.000 . 1 . . . . . . . . 5275 1
836 . 1 1 93 93 TRP C C 13 174.794 0.000 . 1 . . . . . . . . 5275 1
837 . 1 1 94 94 LYS N N 15 124.269 0.000 . 1 . . . . . . . . 5275 1
838 . 1 1 94 94 LYS H H 1 9.418 0.000 . 1 . . . . . . . . 5275 1
839 . 1 1 94 94 LYS CA C 13 55.465 0.000 . 1 . . . . . . . . 5275 1
840 . 1 1 94 94 LYS HA H 1 5.276 0.000 . 1 . . . . . . . . 5275 1
841 . 1 1 94 94 LYS CB C 13 37.649 0.000 . 1 . . . . . . . . 5275 1
842 . 1 1 94 94 LYS HB2 H 1 1.670 0.000 . 1 . . . . . . . . 5275 1
843 . 1 1 94 94 LYS HB3 H 1 1.670 0.000 . 1 . . . . . . . . 5275 1
844 . 1 1 94 94 LYS HG2 H 1 1.194 0.000 . 1 . . . . . . . . 5275 1
845 . 1 1 94 94 LYS HG3 H 1 1.194 0.000 . 1 . . . . . . . . 5275 1
846 . 1 1 94 94 LYS C C 13 174.639 0.000 . 1 . . . . . . . . 5275 1
847 . 1 1 95 95 PHE N N 15 125.326 0.000 . 1 . . . . . . . . 5275 1
848 . 1 1 95 95 PHE H H 1 9.765 0.000 . 1 . . . . . . . . 5275 1
849 . 1 1 95 95 PHE CA C 13 56.476 0.000 . 1 . . . . . . . . 5275 1
850 . 1 1 95 95 PHE HA H 1 5.525 0.000 . 1 . . . . . . . . 5275 1
851 . 1 1 95 95 PHE CB C 13 40.549 0.000 . 1 . . . . . . . . 5275 1
852 . 1 1 95 95 PHE HB2 H 1 2.384 0.000 . 2 . . . . . . . . 5275 1
853 . 1 1 95 95 PHE HB3 H 1 3.330 0.000 . 2 . . . . . . . . 5275 1
854 . 1 1 95 95 PHE HD1 H 1 7.018 0.000 . 1 . . . . . . . . 5275 1
855 . 1 1 95 95 PHE HD2 H 1 7.018 0.000 . 1 . . . . . . . . 5275 1
856 . 1 1 95 95 PHE HE1 H 1 7.134 0.000 . 1 . . . . . . . . 5275 1
857 . 1 1 95 95 PHE HE2 H 1 7.134 0.000 . 1 . . . . . . . . 5275 1
858 . 1 1 95 95 PHE C C 13 176.528 0.000 . 1 . . . . . . . . 5275 1
859 . 1 1 96 96 ILE N N 15 126.958 0.000 . 1 . . . . . . . . 5275 1
860 . 1 1 96 96 ILE H H 1 9.717 0.000 . 1 . . . . . . . . 5275 1
861 . 1 1 96 96 ILE CA C 13 60.673 0.000 . 1 . . . . . . . . 5275 1
862 . 1 1 96 96 ILE HA H 1 4.432 0.000 . 1 . . . . . . . . 5275 1
863 . 1 1 96 96 ILE CB C 13 41.931 0.000 . 1 . . . . . . . . 5275 1
864 . 1 1 96 96 ILE HB H 1 1.627 0.000 . 1 . . . . . . . . 5275 1
865 . 1 1 96 96 ILE HG21 H 1 1.019 0.000 . 1 . . . . . . . . 5275 1
866 . 1 1 96 96 ILE HG22 H 1 1.019 0.000 . 1 . . . . . . . . 5275 1
867 . 1 1 96 96 ILE HG23 H 1 1.019 0.000 . 1 . . . . . . . . 5275 1
868 . 1 1 96 96 ILE CG2 C 13 16.956 0.000 . 1 . . . . . . . . 5275 1
869 . 1 1 96 96 ILE CG1 C 13 26.253 0.000 . 1 . . . . . . . . 5275 1
870 . 1 1 96 96 ILE HG12 H 1 0.908 0.000 . 1 . . . . . . . . 5275 1
871 . 1 1 96 96 ILE HG13 H 1 0.908 0.000 . 1 . . . . . . . . 5275 1
872 . 1 1 96 96 ILE HD11 H 1 0.934 0.000 . 1 . . . . . . . . 5275 1
873 . 1 1 96 96 ILE HD12 H 1 0.934 0.000 . 1 . . . . . . . . 5275 1
874 . 1 1 96 96 ILE HD13 H 1 0.934 0.000 . 1 . . . . . . . . 5275 1
875 . 1 1 96 96 ILE CD1 C 13 14.545 0.000 . 1 . . . . . . . . 5275 1
876 . 1 1 96 96 ILE C C 13 174.794 0.000 . 1 . . . . . . . . 5275 1
877 . 1 1 97 97 ASP N N 15 127.775 0.000 . 1 . . . . . . . . 5275 1
878 . 1 1 97 97 ASP H H 1 7.954 0.000 . 1 . . . . . . . . 5275 1
879 . 1 1 97 97 ASP CA C 13 52.904 0.000 . 1 . . . . . . . . 5275 1
880 . 1 1 97 97 ASP HA H 1 5.702 0.000 . 1 . . . . . . . . 5275 1
881 . 1 1 97 97 ASP CB C 13 41.058 0.000 . 1 . . . . . . . . 5275 1
882 . 1 1 97 97 ASP HB2 H 1 2.579 0.000 . 2 . . . . . . . . 5275 1
883 . 1 1 97 97 ASP HB3 H 1 2.810 0.000 . 2 . . . . . . . . 5275 1
884 . 1 1 97 97 ASP C C 13 175.465 0.000 . 1 . . . . . . . . 5275 1
885 . 1 1 98 98 VAL N N 15 118.995 0.000 . 1 . . . . . . . . 5275 1
886 . 1 1 98 98 VAL H H 1 9.933 0.000 . 1 . . . . . . . . 5275 1
887 . 1 1 98 98 VAL CA C 13 58.888 0.000 . 1 . . . . . . . . 5275 1
888 . 1 1 98 98 VAL HA H 1 5.618 0.000 . 1 . . . . . . . . 5275 1
889 . 1 1 98 98 VAL CB C 13 32.575 0.000 . 1 . . . . . . . . 5275 1
890 . 1 1 98 98 VAL HB H 1 2.069 0.000 . 1 . . . . . . . . 5275 1
891 . 1 1 98 98 VAL HG11 H 1 0.763 0.000 . 1 . . . . . . . . 5275 1
892 . 1 1 98 98 VAL HG12 H 1 0.763 0.000 . 1 . . . . . . . . 5275 1
893 . 1 1 98 98 VAL HG13 H 1 0.763 0.000 . 1 . . . . . . . . 5275 1
894 . 1 1 98 98 VAL HG21 H 1 0.728 0.000 . 1 . . . . . . . . 5275 1
895 . 1 1 98 98 VAL HG22 H 1 0.728 0.000 . 1 . . . . . . . . 5275 1
896 . 1 1 98 98 VAL HG23 H 1 0.728 0.000 . 1 . . . . . . . . 5275 1
897 . 1 1 98 98 VAL CG1 C 13 22.088 0.000 . 1 . . . . . . . . 5275 1
898 . 1 1 98 98 VAL CG2 C 13 19.367 0.000 . 1 . . . . . . . . 5275 1
899 . 1 1 98 98 VAL C C 13 175.299 0.000 . 1 . . . . . . . . 5275 1
900 . 1 1 99 99 VAL H H 1 9.026 0.000 . 1 . . . . . . . . 5275 1
901 . 1 1 99 99 VAL N N 15 122.630 0.000 . 1 . . . . . . . . 5275 1
902 . 1 1 99 99 VAL CA C 13 59.590 0.000 . 1 . . . . . . . . 5275 1
903 . 1 1 99 99 VAL HA H 1 5.870 0.000 . 1 . . . . . . . . 5275 1
904 . 1 1 99 99 VAL HB H 1 2.128 0.000 . 1 . . . . . . . . 5275 1
905 . 1 1 99 99 VAL CB C 13 36.993 0.000 . 1 . . . . . . . . 5275 1
906 . 1 1 99 99 VAL HG11 H 1 0.909 0.000 . 1 . . . . . . . . 5275 1
907 . 1 1 99 99 VAL HG12 H 1 0.909 0.000 . 1 . . . . . . . . 5275 1
908 . 1 1 99 99 VAL HG13 H 1 0.909 0.000 . 1 . . . . . . . . 5275 1
909 . 1 1 99 99 VAL HG21 H 1 0.838 0.000 . 1 . . . . . . . . 5275 1
910 . 1 1 99 99 VAL HG22 H 1 0.838 0.000 . 1 . . . . . . . . 5275 1
911 . 1 1 99 99 VAL HG23 H 1 0.838 0.000 . 1 . . . . . . . . 5275 1
912 . 1 1 99 99 VAL CG2 C 13 31.103 0.000 . 1 . . . . . . . . 5275 1
913 . 1 1 99 99 VAL CG1 C 13 21.088 0.000 . 1 . . . . . . . . 5275 1
914 . 1 1 99 99 VAL C C 13 176.538 0.000 . 1 . . . . . . . . 5275 1
915 . 1 1 100 100 LYS N N 15 125.364 0.000 . 1 . . . . . . . . 5275 1
916 . 1 1 100 100 LYS H H 1 9.086 0.000 . 1 . . . . . . . . 5275 1
917 . 1 1 100 100 LYS CA C 13 54.555 0.000 . 1 . . . . . . . . 5275 1
918 . 1 1 100 100 LYS HA H 1 5.186 0.000 . 1 . . . . . . . . 5275 1
919 . 1 1 100 100 LYS CB C 13 35.819 0.000 . 1 . . . . . . . . 5275 1
920 . 1 1 100 100 LYS HB2 H 1 1.372 0.000 . 2 . . . . . . . . 5275 1
921 . 1 1 100 100 LYS HB3 H 1 0.728 0.000 . 2 . . . . . . . . 5275 1
922 . 1 1 100 100 LYS HG2 H 1 0.271 0.000 . 2 . . . . . . . . 5275 1
923 . 1 1 100 100 LYS HG3 H 1 0.906 0.000 . 2 . . . . . . . . 5275 1
924 . 1 1 100 100 LYS C C 13 176.229 0.000 . 1 . . . . . . . . 5275 1
925 . 1 1 101 101 THR N N 15 109.829 0.000 . 1 . . . . . . . . 5275 1
926 . 1 1 101 101 THR H H 1 9.062 0.000 . 1 . . . . . . . . 5275 1
927 . 1 1 101 101 THR CA C 13 60.757 0.000 . 1 . . . . . . . . 5275 1
928 . 1 1 101 101 THR HA H 1 4.930 0.000 . 1 . . . . . . . . 5275 1
929 . 1 1 101 101 THR CB C 13 69.665 0.000 . 1 . . . . . . . . 5275 1
930 . 1 1 101 101 THR HB H 1 4.757 0.000 . 1 . . . . . . . . 5275 1
931 . 1 1 101 101 THR HG21 H 1 1.289 0.000 . 1 . . . . . . . . 5275 1
932 . 1 1 101 101 THR HG22 H 1 1.289 0.000 . 1 . . . . . . . . 5275 1
933 . 1 1 101 101 THR HG23 H 1 1.289 0.000 . 1 . . . . . . . . 5275 1
934 . 1 1 101 101 THR CG2 C 13 21.088 0.000 . 1 . . . . . . . . 5275 1
935 . 1 1 101 101 THR C C 13 173.844 0.000 . 1 . . . . . . . . 5275 1
936 . 1 1 102 102 THR N N 15 110.764 0.000 . 1 . . . . . . . . 5275 1
937 . 1 1 102 102 THR H H 1 7.140 0.000 . 1 . . . . . . . . 5275 1
938 . 1 1 102 102 THR CA C 13 59.466 0.000 . 1 . . . . . . . . 5275 1
939 . 1 1 102 102 THR HA H 1 4.534 0.000 . 1 . . . . . . . . 5275 1
940 . 1 1 102 102 THR CB C 13 71.736 0.000 . 1 . . . . . . . . 5275 1
941 . 1 1 102 102 THR HB H 1 4.230 0.000 . 1 . . . . . . . . 5275 1
942 . 1 1 102 102 THR HG21 H 1 1.221 0.000 . 1 . . . . . . . . 5275 1
943 . 1 1 102 102 THR HG22 H 1 1.221 0.000 . 1 . . . . . . . . 5275 1
944 . 1 1 102 102 THR HG23 H 1 1.221 0.000 . 1 . . . . . . . . 5275 1
945 . 1 1 102 102 THR CG2 C 13 21.090 0.000 . 1 . . . . . . . . 5275 1
946 . 1 1 102 102 THR C C 13 174.629 0.000 . 1 . . . . . . . . 5275 1
947 . 1 1 103 103 GLN N N 15 122.605 0.000 . 1 . . . . . . . . 5275 1
948 . 1 1 103 103 GLN H H 1 8.577 0.000 . 1 . . . . . . . . 5275 1
949 . 1 1 103 103 GLN CA C 13 58.995 0.000 . 1 . . . . . . . . 5275 1
950 . 1 1 103 103 GLN HA H 1 4.231 0.000 . 1 . . . . . . . . 5275 1
951 . 1 1 103 103 GLN CB C 13 27.934 0.000 . 1 . . . . . . . . 5275 1
952 . 1 1 103 103 GLN HB2 H 1 1.779 0.000 . 2 . . . . . . . . 5275 1
953 . 1 1 103 103 GLN HB3 H 1 2.246 0.000 . 2 . . . . . . . . 5275 1
954 . 1 1 103 103 GLN CG C 13 35.210 0.000 . 1 . . . . . . . . 5275 1
955 . 1 1 103 103 GLN HG2 H 1 1.958 0.000 . 2 . . . . . . . . 5275 1
956 . 1 1 103 103 GLN HG3 H 1 2.167 0.000 . 2 . . . . . . . . 5275 1
957 . 1 1 103 103 GLN C C 13 176.466 0.000 . 1 . . . . . . . . 5275 1
958 . 1 1 104 104 ASN N N 15 113.974 0.000 . 1 . . . . . . . . 5275 1
959 . 1 1 104 104 ASN H H 1 7.989 0.000 . 1 . . . . . . . . 5275 1
960 . 1 1 104 104 ASN CA C 13 51.380 0.000 . 1 . . . . . . . . 5275 1
961 . 1 1 104 104 ASN HA H 1 4.951 0.000 . 1 . . . . . . . . 5275 1
962 . 1 1 104 104 ASN CB C 13 37.919 0.000 . 1 . . . . . . . . 5275 1
963 . 1 1 104 104 ASN HB2 H 1 2.699 0.000 . 2 . . . . . . . . 5275 1
964 . 1 1 104 104 ASN HB3 H 1 2.839 0.000 . 2 . . . . . . . . 5275 1
965 . 1 1 104 104 ASN ND2 N 15 112.538 0.000 . 1 . . . . . . . . 5275 1
966 . 1 1 104 104 ASN HD21 H 1 7.549 0.000 . 2 . . . . . . . . 5275 1
967 . 1 1 104 104 ASN HD22 H 1 6.878 0.000 . 2 . . . . . . . . 5275 1
968 . 1 1 104 104 ASN C C 13 175.465 0.000 . 1 . . . . . . . . 5275 1
969 . 1 1 105 105 GLY N N 15 108.724 0.000 . 1 . . . . . . . . 5275 1
970 . 1 1 105 105 GLY H H 1 7.058 0.000 . 1 . . . . . . . . 5275 1
971 . 1 1 105 105 GLY CA C 13 44.634 0.000 . 1 . . . . . . . . 5275 1
972 . 1 1 105 105 GLY HA2 H 1 3.580 0.000 . 2 . . . . . . . . 5275 1
973 . 1 1 105 105 GLY HA3 H 1 3.964 0.000 . 2 . . . . . . . . 5275 1
974 . 1 1 105 105 GLY C C 13 172.089 0.000 . 1 . . . . . . . . 5275 1
975 . 1 1 106 106 SER N N 15 113.073 0.000 . 1 . . . . . . . . 5275 1
976 . 1 1 106 106 SER H H 1 8.172 0.000 . 1 . . . . . . . . 5275 1
977 . 1 1 106 106 SER CA C 13 57.136 0.000 . 1 . . . . . . . . 5275 1
978 . 1 1 106 106 SER HA H 1 4.599 0.000 . 1 . . . . . . . . 5275 1
979 . 1 1 106 106 SER CB C 13 64.773 0.000 . 1 . . . . . . . . 5275 1
980 . 1 1 106 106 SER HB2 H 1 3.872 0.000 . 2 . . . . . . . . 5275 1
981 . 1 1 106 106 SER HB3 H 1 3.947 0.000 . 2 . . . . . . . . 5275 1
982 . 1 1 106 106 SER C C 13 175.186 0.000 . 1 . . . . . . . . 5275 1
983 . 1 1 107 107 TYR N N 15 121.778 0.000 . 1 . . . . . . . . 5275 1
984 . 1 1 107 107 TYR H H 1 9.014 0.000 . 1 . . . . . . . . 5275 1
985 . 1 1 107 107 TYR CA C 13 59.117 0.000 . 1 . . . . . . . . 5275 1
986 . 1 1 107 107 TYR HA H 1 4.810 0.000 . 1 . . . . . . . . 5275 1
987 . 1 1 107 107 TYR CB C 13 39.677 0.000 . 1 . . . . . . . . 5275 1
988 . 1 1 107 107 TYR HB2 H 1 2.848 0.000 . 1 . . . . . . . . 5275 1
989 . 1 1 107 107 TYR HB3 H 1 2.848 0.000 . 1 . . . . . . . . 5275 1
990 . 1 1 107 107 TYR HE1 H 1 6.723 0.000 . 1 . . . . . . . . 5275 1
991 . 1 1 107 107 TYR HE2 H 1 6.723 0.000 . 1 . . . . . . . . 5275 1
992 . 1 1 107 107 TYR HD1 H 1 7.068 0.000 . 1 . . . . . . . . 5275 1
993 . 1 1 107 107 TYR HD2 H 1 7.068 0.000 . 1 . . . . . . . . 5275 1
994 . 1 1 107 107 TYR C C 13 177.838 0.000 . 1 . . . . . . . . 5275 1
995 . 1 1 108 108 SER N N 15 119.038 0.000 . 1 . . . . . . . . 5275 1
996 . 1 1 108 108 SER H H 1 9.142 0.000 . 1 . . . . . . . . 5275 1
997 . 1 1 108 108 SER CA C 13 57.594 0.000 . 1 . . . . . . . . 5275 1
998 . 1 1 108 108 SER HA H 1 4.907 0.000 . 1 . . . . . . . . 5275 1
999 . 1 1 108 108 SER CB C 13 66.014 0.000 . 1 . . . . . . . . 5275 1
1000 . 1 1 108 108 SER HB2 H 1 3.836 0.000 . 2 . . . . . . . . 5275 1
1001 . 1 1 108 108 SER HB3 H 1 3.871 0.000 . 2 . . . . . . . . 5275 1
1002 . 1 1 108 108 SER C C 13 172.626 0.000 . 1 . . . . . . . . 5275 1
1003 . 1 1 109 109 GLN N N 15 120.933 0.000 . 1 . . . . . . . . 5275 1
1004 . 1 1 109 109 GLN H H 1 8.509 0.000 . 1 . . . . . . . . 5275 1
1005 . 1 1 109 109 GLN CA C 13 55.264 0.000 . 1 . . . . . . . . 5275 1
1006 . 1 1 109 109 GLN HA H 1 5.399 0.000 . 1 . . . . . . . . 5275 1
1007 . 1 1 109 109 GLN CB C 13 29.431 0.000 . 1 . . . . . . . . 5275 1
1008 . 1 1 109 109 GLN HB2 H 1 2.003 0.000 . 2 . . . . . . . . 5275 1
1009 . 1 1 109 109 GLN HB3 H 1 1.835 0.000 . 2 . . . . . . . . 5275 1
1010 . 1 1 109 109 GLN HG2 H 1 2.577 0.000 . 2 . . . . . . . . 5275 1
1011 . 1 1 109 109 GLN HG3 H 1 2.108 0.000 . 2 . . . . . . . . 5275 1
1012 . 1 1 109 109 GLN NE2 N 15 109.817 0.000 . 1 . . . . . . . . 5275 1
1013 . 1 1 109 109 GLN HE21 H 1 6.942 0.000 . 2 . . . . . . . . 5275 1
1014 . 1 1 109 109 GLN HE22 H 1 6.994 0.000 . 2 . . . . . . . . 5275 1
1015 . 1 1 109 109 GLN C C 13 175.692 0.000 . 1 . . . . . . . . 5275 1
1016 . 1 1 110 110 TYR N N 15 122.675 0.000 . 1 . . . . . . . . 5275 1
1017 . 1 1 110 110 TYR H H 1 9.744 0.000 . 1 . . . . . . . . 5275 1
1018 . 1 1 110 110 TYR CA C 13 57.118 0.000 . 1 . . . . . . . . 5275 1
1019 . 1 1 110 110 TYR HA H 1 4.931 0.000 . 1 . . . . . . . . 5275 1
1020 . 1 1 110 110 TYR CB C 13 43.392 0.000 . 1 . . . . . . . . 5275 1
1021 . 1 1 110 110 TYR HB2 H 1 3.329 0.000 . 2 . . . . . . . . 5275 1
1022 . 1 1 110 110 TYR HB3 H 1 3.208 0.000 . 2 . . . . . . . . 5275 1
1023 . 1 1 110 110 TYR HE1 H 1 6.867 0.000 . 1 . . . . . . . . 5275 1
1024 . 1 1 110 110 TYR HE2 H 1 6.867 0.000 . 1 . . . . . . . . 5275 1
1025 . 1 1 110 110 TYR HD1 H 1 7.240 0.000 . 1 . . . . . . . . 5275 1
1026 . 1 1 110 110 TYR HD2 H 1 7.240 0.000 . 1 . . . . . . . . 5275 1
1027 . 1 1 110 110 TYR C C 13 176.436 0.000 . 1 . . . . . . . . 5275 1
1028 . 1 1 111 111 GLY N N 15 110.622 0.000 . 1 . . . . . . . . 5275 1
1029 . 1 1 111 111 GLY H H 1 9.155 0.000 . 1 . . . . . . . . 5275 1
1030 . 1 1 111 111 GLY CA C 13 42.612 0.000 . 1 . . . . . . . . 5275 1
1031 . 1 1 111 111 GLY HA2 H 1 4.817 0.000 . 2 . . . . . . . . 5275 1
1032 . 1 1 111 111 GLY HA3 H 1 5.013 0.000 . 2 . . . . . . . . 5275 1
1033 . 1 1 112 112 PRO CA C 13 64.031 0.000 . 1 . . . . . . . . 5275 1
1034 . 1 1 112 112 PRO HA H 1 5.432 0.000 . 1 . . . . . . . . 5275 1
1035 . 1 1 112 112 PRO CB C 13 36.434 0.000 . 1 . . . . . . . . 5275 1
1036 . 1 1 112 112 PRO HD3 H 1 3.930 0.000 . 2 . . . . . . . . 5275 1
1037 . 1 1 112 112 PRO C C 13 176.239 0.000 . 1 . . . . . . . . 5275 1
1038 . 1 1 113 113 LEU N N 15 117.993 0.000 . 1 . . . . . . . . 5275 1
1039 . 1 1 113 113 LEU H H 1 8.584 0.000 . 1 . . . . . . . . 5275 1
1040 . 1 1 113 113 LEU CA C 13 55.014 0.000 . 1 . . . . . . . . 5275 1
1041 . 1 1 113 113 LEU HA H 1 5.573 0.000 . 1 . . . . . . . . 5275 1
1042 . 1 1 113 113 LEU CB C 13 43.965 0.000 . 1 . . . . . . . . 5275 1
1043 . 1 1 113 113 LEU HB2 H 1 2.299 0.000 . 2 . . . . . . . . 5275 1
1044 . 1 1 113 113 LEU CG C 13 26.944 0.000 . 1 . . . . . . . . 5275 1
1045 . 1 1 113 113 LEU HG H 1 1.083 0.000 . 1 . . . . . . . . 5275 1
1046 . 1 1 113 113 LEU HD11 H 1 0.926 0.000 . 1 . . . . . . . . 5275 1
1047 . 1 1 113 113 LEU HD12 H 1 0.926 0.000 . 1 . . . . . . . . 5275 1
1048 . 1 1 113 113 LEU HD13 H 1 0.926 0.000 . 1 . . . . . . . . 5275 1
1049 . 1 1 113 113 LEU HD21 H 1 0.901 0.000 . 1 . . . . . . . . 5275 1
1050 . 1 1 113 113 LEU HD22 H 1 0.901 0.000 . 1 . . . . . . . . 5275 1
1051 . 1 1 113 113 LEU HD23 H 1 0.901 0.000 . 1 . . . . . . . . 5275 1
1052 . 1 1 113 113 LEU CD1 C 13 24.534 0.000 . 1 . . . . . . . . 5275 1
1053 . 1 1 113 113 LEU C C 13 176.452 0.000 . 1 . . . . . . . . 5275 1
1054 . 1 1 114 114 GLN N N 15 129.135 0.000 . 1 . . . . . . . . 5275 1
1055 . 1 1 114 114 GLN H H 1 9.723 0.000 . 1 . . . . . . . . 5275 1
1056 . 1 1 114 114 GLN CA C 13 54.777 0.000 . 1 . . . . . . . . 5275 1
1057 . 1 1 114 114 GLN HA H 1 5.435 0.000 . 1 . . . . . . . . 5275 1
1058 . 1 1 114 114 GLN CB C 13 29.244 0.000 . 1 . . . . . . . . 5275 1
1059 . 1 1 114 114 GLN HB2 H 1 2.179 0.000 . 2 . . . . . . . . 5275 1
1060 . 1 1 114 114 GLN HB3 H 1 2.248 0.000 . 2 . . . . . . . . 5275 1
1061 . 1 1 114 114 GLN CG C 13 33.828 0.000 . 1 . . . . . . . . 5275 1
1062 . 1 1 114 114 GLN HG2 H 1 2.391 0.000 . 2 . . . . . . . . 5275 1
1063 . 1 1 114 114 GLN HG3 H 1 2.608 0.000 . 2 . . . . . . . . 5275 1
1064 . 1 1 114 114 GLN C C 13 175.042 0.000 . 1 . . . . . . . . 5275 1
1065 . 1 1 115 115 SER N N 15 118.524 0.000 . 1 . . . . . . . . 5275 1
1066 . 1 1 115 115 SER H H 1 9.407 0.000 . 1 . . . . . . . . 5275 1
1067 . 1 1 115 115 SER CA C 13 56.637 0.000 . 1 . . . . . . . . 5275 1
1068 . 1 1 115 115 SER HA H 1 5.515 0.000 . 1 . . . . . . . . 5275 1
1069 . 1 1 115 115 SER CB C 13 66.973 0.000 . 1 . . . . . . . . 5275 1
1070 . 1 1 115 115 SER HB2 H 1 3.619 0.000 . 2 . . . . . . . . 5275 1
1071 . 1 1 115 115 SER HB3 H 1 3.993 0.000 . 2 . . . . . . . . 5275 1
1072 . 1 1 115 115 SER C C 13 174.814 0.000 . 1 . . . . . . . . 5275 1
1073 . 1 1 116 116 THR N N 15 126.141 0.000 . 1 . . . . . . . . 5275 1
1074 . 1 1 116 116 THR H H 1 8.390 0.000 . 1 . . . . . . . . 5275 1
1075 . 1 1 116 116 THR CA C 13 66.140 0.000 . 1 . . . . . . . . 5275 1
1076 . 1 1 116 116 THR HA H 1 5.006 0.000 . 1 . . . . . . . . 5275 1
1077 . 1 1 116 116 THR CB C 13 67.235 0.000 . 1 . . . . . . . . 5275 1
1078 . 1 1 116 116 THR HB H 1 4.547 0.000 . 1 . . . . . . . . 5275 1
1079 . 1 1 116 116 THR HG21 H 1 1.404 0.000 . 1 . . . . . . . . 5275 1
1080 . 1 1 116 116 THR HG22 H 1 1.404 0.000 . 1 . . . . . . . . 5275 1
1081 . 1 1 116 116 THR HG23 H 1 1.404 0.000 . 1 . . . . . . . . 5275 1
1082 . 1 1 116 116 THR CG2 C 13 22.123 0.000 . 1 . . . . . . . . 5275 1
1083 . 1 1 116 116 THR C C 13 175.339 0.000 . 1 . . . . . . . . 5275 1
1084 . 1 1 117 117 PRO CA C 13 64.293 0.000 . 1 . . . . . . . . 5275 1
1085 . 1 1 117 117 PRO CB C 13 31.559 0.000 . 1 . . . . . . . . 5275 1
1086 . 1 1 117 117 PRO HG3 H 1 2.124 0.000 . 2 . . . . . . . . 5275 1
1087 . 1 1 117 117 PRO C C 13 175.351 0.000 . 1 . . . . . . . . 5275 1
1088 . 1 1 118 118 LYS N N 15 110.556 0.000 . 1 . . . . . . . . 5275 1
1089 . 1 1 118 118 LYS H H 1 8.251 0.000 . 1 . . . . . . . . 5275 1
1090 . 1 1 118 118 LYS CA C 13 57.237 0.000 . 1 . . . . . . . . 5275 1
1091 . 1 1 118 118 LYS HA H 1 3.339 0.000 . 1 . . . . . . . . 5275 1
1092 . 1 1 118 118 LYS CB C 13 29.069 0.000 . 1 . . . . . . . . 5275 1
1093 . 1 1 118 118 LYS HB2 H 1 1.762 0.000 . 2 . . . . . . . . 5275 1
1094 . 1 1 118 118 LYS HB3 H 1 0.799 0.000 . 2 . . . . . . . . 5275 1
1095 . 1 1 118 118 LYS CG C 13 23.842 0.000 . 1 . . . . . . . . 5275 1
1096 . 1 1 118 118 LYS HG2 H 1 0.356 0.000 . 2 . . . . . . . . 5275 1
1097 . 1 1 118 118 LYS HG3 H 1 1.614 0.000 . 2 . . . . . . . . 5275 1
1098 . 1 1 118 118 LYS CD C 13 29.008 0.000 . 1 . . . . . . . . 5275 1
1099 . 1 1 118 118 LYS HD3 H 1 1.075 0.000 . 2 . . . . . . . . 5275 1
1100 . 1 1 118 118 LYS CE C 13 39.682 0.000 . 1 . . . . . . . . 5275 1
1101 . 1 1 118 118 LYS HE2 H 1 2.457 0.000 . 1 . . . . . . . . 5275 1
1102 . 1 1 118 118 LYS C C 13 173.947 0.000 . 1 . . . . . . . . 5275 1
1103 . 1 1 119 119 LEU N N 15 116.075 0.000 . 1 . . . . . . . . 5275 1
1104 . 1 1 119 119 LEU H H 1 7.123 0.000 . 1 . . . . . . . . 5275 1
1105 . 1 1 119 119 LEU CA C 13 53.136 0.000 . 1 . . . . . . . . 5275 1
1106 . 1 1 119 119 LEU HA H 1 5.458 0.000 . 1 . . . . . . . . 5275 1
1107 . 1 1 119 119 LEU CB C 13 45.106 0.000 . 1 . . . . . . . . 5275 1
1108 . 1 1 119 119 LEU HB2 H 1 1.263 0.000 . 2 . . . . . . . . 5275 1
1109 . 1 1 119 119 LEU HB3 H 1 1.545 0.000 . 2 . . . . . . . . 5275 1
1110 . 1 1 119 119 LEU HD11 H 1 0.813 0.000 . 1 . . . . . . . . 5275 1
1111 . 1 1 119 119 LEU HD12 H 1 0.813 0.000 . 1 . . . . . . . . 5275 1
1112 . 1 1 119 119 LEU HD13 H 1 0.813 0.000 . 1 . . . . . . . . 5275 1
1113 . 1 1 119 119 LEU HD21 H 1 0.963 0.000 . 1 . . . . . . . . 5275 1
1114 . 1 1 119 119 LEU HD22 H 1 0.963 0.000 . 1 . . . . . . . . 5275 1
1115 . 1 1 119 119 LEU HD23 H 1 0.963 0.000 . 1 . . . . . . . . 5275 1
1116 . 1 1 119 119 LEU CD1 C 13 26.253 0.000 . 1 . . . . . . . . 5275 1
1117 . 1 1 119 119 LEU C C 13 175.052 0.000 . 1 . . . . . . . . 5275 1
1118 . 1 1 120 120 TYR N N 15 121.831 0.000 . 1 . . . . . . . . 5275 1
1119 . 1 1 120 120 TYR H H 1 8.327 0.000 . 1 . . . . . . . . 5275 1
1120 . 1 1 120 120 TYR CA C 13 56.066 0.000 . 1 . . . . . . . . 5275 1
1121 . 1 1 120 120 TYR HA H 1 4.205 0.000 . 1 . . . . . . . . 5275 1
1122 . 1 1 120 120 TYR CB C 13 43.369 0.000 . 1 . . . . . . . . 5275 1
1123 . 1 1 120 120 TYR HB2 H 1 1.550 0.000 . 2 . . . . . . . . 5275 1
1124 . 1 1 120 120 TYR HB3 H 1 2.083 0.000 . 2 . . . . . . . . 5275 1
1125 . 1 1 120 120 TYR HE1 H 1 7.016 0.000 . 1 . . . . . . . . 5275 1
1126 . 1 1 120 120 TYR HE2 H 1 7.016 0.000 . 1 . . . . . . . . 5275 1
1127 . 1 1 120 120 TYR HD1 H 1 6.577 0.000 . 1 . . . . . . . . 5275 1
1128 . 1 1 120 120 TYR HD2 H 1 6.577 0.000 . 1 . . . . . . . . 5275 1
1129 . 1 1 120 120 TYR C C 13 172.398 0.000 . 1 . . . . . . . . 5275 1
1130 . 1 1 121 121 ALA N N 15 123.446 0.000 . 1 . . . . . . . . 5275 1
1131 . 1 1 121 121 ALA H H 1 6.577 0.000 . 1 . . . . . . . . 5275 1
1132 . 1 1 121 121 ALA CA C 13 51.620 0.000 . 1 . . . . . . . . 5275 1
1133 . 1 1 121 121 ALA HA H 1 6.180 0.000 . 1 . . . . . . . . 5275 1
1134 . 1 1 121 121 ALA HB1 H 1 1.364 0.000 . 1 . . . . . . . . 5275 1
1135 . 1 1 121 121 ALA HB2 H 1 1.364 0.000 . 1 . . . . . . . . 5275 1
1136 . 1 1 121 121 ALA HB3 H 1 1.364 0.000 . 1 . . . . . . . . 5275 1
1137 . 1 1 121 121 ALA CB C 13 24.002 0.000 . 1 . . . . . . . . 5275 1
1138 . 1 1 121 121 ALA C C 13 174.897 0.000 . 1 . . . . . . . . 5275 1
1139 . 1 1 122 122 VAL N N 15 116.013 0.000 . 1 . . . . . . . . 5275 1
1140 . 1 1 122 122 VAL H H 1 8.583 0.000 . 1 . . . . . . . . 5275 1
1141 . 1 1 122 122 VAL CA C 13 58.969 0.000 . 1 . . . . . . . . 5275 1
1142 . 1 1 122 122 VAL HA H 1 5.875 0.000 . 1 . . . . . . . . 5275 1
1143 . 1 1 122 122 VAL CB C 13 36.140 0.000 . 1 . . . . . . . . 5275 1
1144 . 1 1 122 122 VAL HB H 1 2.084 0.000 . 1 . . . . . . . . 5275 1
1145 . 1 1 122 122 VAL HG11 H 1 1.133 0.000 . 1 . . . . . . . . 5275 1
1146 . 1 1 122 122 VAL HG12 H 1 1.133 0.000 . 1 . . . . . . . . 5275 1
1147 . 1 1 122 122 VAL HG13 H 1 1.133 0.000 . 1 . . . . . . . . 5275 1
1148 . 1 1 122 122 VAL HG21 H 1 1.101 0.000 . 1 . . . . . . . . 5275 1
1149 . 1 1 122 122 VAL HG22 H 1 1.101 0.000 . 1 . . . . . . . . 5275 1
1150 . 1 1 122 122 VAL HG23 H 1 1.101 0.000 . 1 . . . . . . . . 5275 1
1151 . 1 1 122 122 VAL CG1 C 13 21.088 0.000 . 1 . . . . . . . . 5275 1
1152 . 1 1 122 122 VAL CG2 C 13 20.743 0.000 . 1 . . . . . . . . 5275 1
1153 . 1 1 122 122 VAL C C 13 174.071 0.000 . 1 . . . . . . . . 5275 1
1154 . 1 1 123 123 MET N N 15 125.377 0.000 . 1 . . . . . . . . 5275 1
1155 . 1 1 123 123 MET H H 1 8.673 0.000 . 1 . . . . . . . . 5275 1
1156 . 1 1 123 123 MET CA C 13 54.794 0.000 . 1 . . . . . . . . 5275 1
1157 . 1 1 123 123 MET HA H 1 4.704 0.000 . 1 . . . . . . . . 5275 1
1158 . 1 1 123 123 MET CG C 13 34.185 0.000 . 1 . . . . . . . . 5275 1
1159 . 1 1 123 123 MET HG2 H 1 1.821 0.000 . 2 . . . . . . . . 5275 1
1160 . 1 1 123 123 MET C C 13 174.845 0.000 . 1 . . . . . . . . 5275 1
1161 . 1 1 124 124 LYS N N 15 127.493 0.000 . 1 . . . . . . . . 5275 1
1162 . 1 1 124 124 LYS H H 1 9.227 0.000 . 1 . . . . . . . . 5275 1
1163 . 1 1 124 124 LYS CA C 13 54.761 0.000 . 1 . . . . . . . . 5275 1
1164 . 1 1 124 124 LYS HA H 1 5.039 0.000 . 1 . . . . . . . . 5275 1
1165 . 1 1 124 124 LYS CB C 13 32.693 0.000 . 1 . . . . . . . . 5275 1
1166 . 1 1 124 124 LYS HB2 H 1 1.820 0.000 . 1 . . . . . . . . 5275 1
1167 . 1 1 124 124 LYS HB3 H 1 1.820 0.000 . 1 . . . . . . . . 5275 1
1168 . 1 1 124 124 LYS HG3 H 1 1.055 0.000 . 2 . . . . . . . . 5275 1
1169 . 1 1 124 124 LYS HE2 H 1 3.373 0.000 . 1 . . . . . . . . 5275 1
1170 . 1 1 124 124 LYS C C 13 174.814 0.000 . 1 . . . . . . . . 5275 1
1171 . 1 1 125 125 HIS N N 15 125.103 0.000 . 1 . . . . . . . . 5275 1
1172 . 1 1 125 125 HIS H H 1 9.209 0.000 . 1 . . . . . . . . 5275 1
1173 . 1 1 125 125 HIS CA C 13 56.355 0.000 . 1 . . . . . . . . 5275 1
1174 . 1 1 125 125 HIS HA H 1 5.075 0.000 . 1 . . . . . . . . 5275 1
1175 . 1 1 125 125 HIS CB C 13 30.961 0.000 . 1 . . . . . . . . 5275 1
1176 . 1 1 125 125 HIS HB2 H 1 2.647 0.000 . 2 . . . . . . . . 5275 1
1177 . 1 1 125 125 HIS HB3 H 1 3.217 0.000 . 2 . . . . . . . . 5275 1
1178 . 1 1 125 125 HIS ND1 N 15 129.809 0.000 . 1 . . . . . . . . 5275 1
1179 . 1 1 125 125 HIS HD1 H 1 10.108 0.000 . 1 . . . . . . . . 5275 1
1180 . 1 1 125 125 HIS NE2 N 15 114.714 0.000 . 1 . . . . . . . . 5275 1
1181 . 1 1 125 125 HIS HD2 H 1 7.651 0.000 . 1 . . . . . . . . 5275 1
1182 . 1 1 125 125 HIS HE1 H 1 6.440 0.000 . 1 . . . . . . . . 5275 1
1183 . 1 1 125 125 HIS HE2 H 1 8.406 0.000 . 1 . . . . . . . . 5275 1
1184 . 1 1 125 125 HIS C C 13 173.555 0.000 . 1 . . . . . . . . 5275 1
1185 . 1 1 126 126 ASN N N 15 125.798 0.000 . 1 . . . . . . . . 5275 1
1186 . 1 1 126 126 ASN H H 1 9.290 0.000 . 1 . . . . . . . . 5275 1
1187 . 1 1 126 126 ASN CA C 13 52.653 0.000 . 1 . . . . . . . . 5275 1
1188 . 1 1 126 126 ASN HA H 1 3.834 0.000 . 1 . . . . . . . . 5275 1
1189 . 1 1 126 126 ASN CB C 13 37.065 0.000 . 1 . . . . . . . . 5275 1
1190 . 1 1 126 126 ASN HB2 H 1 2.418 0.000 . 2 . . . . . . . . 5275 1
1191 . 1 1 126 126 ASN HB3 H 1 1.057 0.000 . 2 . . . . . . . . 5275 1
1192 . 1 1 126 126 ASN ND2 N 15 110.089 0.000 . 1 . . . . . . . . 5275 1
1193 . 1 1 126 126 ASN HD21 H 1 6.619 0.000 . 2 . . . . . . . . 5275 1
1194 . 1 1 126 126 ASN HD22 H 1 7.280 0.000 . 2 . . . . . . . . 5275 1
1195 . 1 1 126 126 ASN C C 13 173.865 0.000 . 1 . . . . . . . . 5275 1
1196 . 1 1 127 127 GLY H H 1 8.173 0.000 . 1 . . . . . . . . 5275 1
1197 . 1 1 127 127 GLY CA C 13 46.475 0.000 . 1 . . . . . . . . 5275 1
1198 . 1 1 127 127 GLY HA2 H 1 3.359 0.000 . 2 . . . . . . . . 5275 1
1199 . 1 1 127 127 GLY HA3 H 1 3.865 0.000 . 2 . . . . . . . . 5275 1
1200 . 1 1 127 127 GLY C C 13 173.514 0.000 . 1 . . . . . . . . 5275 1
1201 . 1 1 128 128 LYS N N 15 119.267 0.000 . 1 . . . . . . . . 5275 1
1202 . 1 1 128 128 LYS H H 1 7.415 0.000 . 1 . . . . . . . . 5275 1
1203 . 1 1 128 128 LYS CA C 13 54.188 0.000 . 1 . . . . . . . . 5275 1
1204 . 1 1 128 128 LYS HA H 1 5.066 0.000 . 1 . . . . . . . . 5275 1
1205 . 1 1 128 128 LYS CB C 13 37.295 0.000 . 1 . . . . . . . . 5275 1
1206 . 1 1 128 128 LYS HB2 H 1 1.325 0.000 . 2 . . . . . . . . 5275 1
1207 . 1 1 128 128 LYS HB3 H 1 1.745 0.000 . 2 . . . . . . . . 5275 1
1208 . 1 1 128 128 LYS C C 13 174.970 0.000 . 1 . . . . . . . . 5275 1
1209 . 1 1 129 129 ILE N N 15 118.793 0.000 . 1 . . . . . . . . 5275 1
1210 . 1 1 129 129 ILE H H 1 8.198 0.000 . 1 . . . . . . . . 5275 1
1211 . 1 1 129 129 ILE CA C 13 59.585 0.000 . 1 . . . . . . . . 5275 1
1212 . 1 1 129 129 ILE HA H 1 5.159 0.000 . 1 . . . . . . . . 5275 1
1213 . 1 1 129 129 ILE CB C 13 39.184 0.000 . 1 . . . . . . . . 5275 1
1214 . 1 1 129 129 ILE HB H 1 1.770 0.000 . 1 . . . . . . . . 5275 1
1215 . 1 1 129 129 ILE HG21 H 1 0.699 0.000 . 1 . . . . . . . . 5275 1
1216 . 1 1 129 129 ILE HG22 H 1 0.699 0.000 . 1 . . . . . . . . 5275 1
1217 . 1 1 129 129 ILE HG23 H 1 0.699 0.000 . 1 . . . . . . . . 5275 1
1218 . 1 1 129 129 ILE CG2 C 13 17.299 0.000 . 1 . . . . . . . . 5275 1
1219 . 1 1 129 129 ILE CG1 C 13 25.908 0.000 . 1 . . . . . . . . 5275 1
1220 . 1 1 129 129 ILE HG12 H 1 0.839 0.000 . 1 . . . . . . . . 5275 1
1221 . 1 1 129 129 ILE HG13 H 1 0.875 0.000 . 1 . . . . . . . . 5275 1
1222 . 1 1 129 129 ILE C C 13 175.992 0.000 . 1 . . . . . . . . 5275 1
1223 . 1 1 130 130 TYR N N 15 128.723 0.000 . 1 . . . . . . . . 5275 1
1224 . 1 1 130 130 TYR H H 1 10.076 0.000 . 1 . . . . . . . . 5275 1
1225 . 1 1 130 130 TYR CA C 13 56.894 0.000 . 1 . . . . . . . . 5275 1
1226 . 1 1 130 130 TYR HA H 1 5.432 0.000 . 1 . . . . . . . . 5275 1
1227 . 1 1 130 130 TYR CB C 13 42.666 0.000 . 1 . . . . . . . . 5275 1
1228 . 1 1 130 130 TYR HB2 H 1 2.570 0.000 . 2 . . . . . . . . 5275 1
1229 . 1 1 130 130 TYR HB3 H 1 2.973 0.000 . 2 . . . . . . . . 5275 1
1230 . 1 1 130 130 TYR HE1 H 1 6.816 0.000 . 1 . . . . . . . . 5275 1
1231 . 1 1 130 130 TYR HE2 H 1 6.816 0.000 . 1 . . . . . . . . 5275 1
1232 . 1 1 130 130 TYR HD1 H 1 6.953 0.000 . 1 . . . . . . . . 5275 1
1233 . 1 1 130 130 TYR HD2 H 1 6.953 0.000 . 1 . . . . . . . . 5275 1
1234 . 1 1 130 130 TYR C C 13 175.820 0.000 . 1 . . . . . . . . 5275 1
1235 . 1 1 131 131 THR N N 15 109.276 0.000 . 1 . . . . . . . . 5275 1
1236 . 1 1 131 131 THR H H 1 8.942 0.000 . 1 . . . . . . . . 5275 1
1237 . 1 1 131 131 THR CA C 13 59.581 0.000 . 1 . . . . . . . . 5275 1
1238 . 1 1 131 131 THR HA H 1 5.457 0.000 . 1 . . . . . . . . 5275 1
1239 . 1 1 131 131 THR CB C 13 72.748 0.000 . 1 . . . . . . . . 5275 1
1240 . 1 1 131 131 THR HB H 1 4.693 0.000 . 1 . . . . . . . . 5275 1
1241 . 1 1 131 131 THR HG21 H 1 1.547 0.000 . 1 . . . . . . . . 5275 1
1242 . 1 1 131 131 THR HG22 H 1 1.547 0.000 . 1 . . . . . . . . 5275 1
1243 . 1 1 131 131 THR HG23 H 1 1.547 0.000 . 1 . . . . . . . . 5275 1
1244 . 1 1 131 131 THR CG2 C 13 22.120 0.000 . 1 . . . . . . . . 5275 1
1245 . 1 1 131 131 THR C C 13 173.473 0.000 . 1 . . . . . . . . 5275 1
1246 . 1 1 132 132 TYR N N 15 117.435 0.000 . 1 . . . . . . . . 5275 1
1247 . 1 1 132 132 TYR H H 1 7.470 0.000 . 1 . . . . . . . . 5275 1
1248 . 1 1 132 132 TYR CA C 13 59.190 0.000 . 1 . . . . . . . . 5275 1
1249 . 1 1 132 132 TYR HA H 1 5.007 0.000 . 1 . . . . . . . . 5275 1
1250 . 1 1 132 132 TYR CB C 13 41.404 0.000 . 1 . . . . . . . . 5275 1
1251 . 1 1 132 132 TYR HB2 H 1 2.454 0.000 . 1 . . . . . . . . 5275 1
1252 . 1 1 132 132 TYR HB3 H 1 2.454 0.000 . 1 . . . . . . . . 5275 1
1253 . 1 1 132 132 TYR HH H 1 6.145 0.000 . 1 . . . . . . . . 5275 1
1254 . 1 1 132 132 TYR HE1 H 1 5.407 0.000 . 1 . . . . . . . . 5275 1
1255 . 1 1 132 132 TYR HE2 H 1 5.407 0.000 . 1 . . . . . . . . 5275 1
1256 . 1 1 132 132 TYR HD1 H 1 6.634 0.000 . 1 . . . . . . . . 5275 1
1257 . 1 1 132 132 TYR HD2 H 1 6.634 0.000 . 1 . . . . . . . . 5275 1
1258 . 1 1 132 132 TYR C C 13 175.516 0.000 . 1 . . . . . . . . 5275 1
1259 . 1 1 133 133 ASN N N 15 118.234 0.000 . 1 . . . . . . . . 5275 1
1260 . 1 1 133 133 ASN H H 1 9.094 0.000 . 1 . . . . . . . . 5275 1
1261 . 1 1 133 133 ASN CA C 13 52.902 0.000 . 1 . . . . . . . . 5275 1
1262 . 1 1 133 133 ASN HA H 1 4.919 0.000 . 1 . . . . . . . . 5275 1
1263 . 1 1 133 133 ASN CB C 13 43.625 0.000 . 1 . . . . . . . . 5275 1
1264 . 1 1 133 133 ASN HB2 H 1 2.577 0.000 . 2 . . . . . . . . 5275 1
1265 . 1 1 133 133 ASN HB3 H 1 2.353 0.000 . 2 . . . . . . . . 5275 1
1266 . 1 1 133 133 ASN ND2 N 15 114.170 0.000 . 1 . . . . . . . . 5275 1
1267 . 1 1 133 133 ASN HD21 H 1 7.505 0.000 . 2 . . . . . . . . 5275 1
1268 . 1 1 133 133 ASN HD22 H 1 7.094 0.000 . 2 . . . . . . . . 5275 1
1269 . 1 1 133 133 ASN C C 13 172.652 0.000 . 1 . . . . . . . . 5275 1
1270 . 1 1 134 134 GLY N N 15 107.912 0.000 . 1 . . . . . . . . 5275 1
1271 . 1 1 134 134 GLY H H 1 8.052 0.000 . 1 . . . . . . . . 5275 1
1272 . 1 1 134 134 GLY CA C 13 44.882 0.000 . 1 . . . . . . . . 5275 1
1273 . 1 1 134 134 GLY HA2 H 1 3.869 0.000 . 2 . . . . . . . . 5275 1
1274 . 1 1 134 134 GLY HA3 H 1 3.831 0.000 . 2 . . . . . . . . 5275 1
1275 . 1 1 134 134 GLY C C 13 173.146 0.000 . 1 . . . . . . . . 5275 1
1276 . 1 1 135 135 GLU N N 15 125.347 0.000 . 1 . . . . . . . . 5275 1
1277 . 1 1 135 135 GLU H H 1 8.981 0.000 . 1 . . . . . . . . 5275 1
1278 . 1 1 135 135 GLU CA C 13 53.830 0.000 . 1 . . . . . . . . 5275 1
1279 . 1 1 135 135 GLU HA H 1 5.689 0.000 . 1 . . . . . . . . 5275 1
1280 . 1 1 135 135 GLU CB C 13 31.973 0.000 . 1 . . . . . . . . 5275 1
1281 . 1 1 135 135 GLU HB2 H 1 2.136 0.000 . 1 . . . . . . . . 5275 1
1282 . 1 1 135 135 GLU HB3 H 1 2.136 0.000 . 1 . . . . . . . . 5275 1
1283 . 1 1 135 135 GLU CG C 13 35.894 0.000 . 1 . . . . . . . . 5275 1
1284 . 1 1 135 135 GLU HG2 H 1 2.405 0.000 . 1 . . . . . . . . 5275 1
1285 . 1 1 135 135 GLU HG3 H 1 2.405 0.000 . 1 . . . . . . . . 5275 1
1286 . 1 1 135 135 GLU C C 13 177.086 0.000 . 1 . . . . . . . . 5275 1
1287 . 1 1 136 136 THR N N 15 119.617 0.000 . 1 . . . . . . . . 5275 1
1288 . 1 1 136 136 THR H H 1 9.040 0.000 . 1 . . . . . . . . 5275 1
1289 . 1 1 136 136 THR CA C 13 61.349 0.000 . 1 . . . . . . . . 5275 1
1290 . 1 1 136 136 THR HA H 1 4.667 0.000 . 1 . . . . . . . . 5275 1
1291 . 1 1 136 136 THR CB C 13 67.296 0.000 . 1 . . . . . . . . 5275 1
1292 . 1 1 136 136 THR HB H 1 5.101 0.000 . 1 . . . . . . . . 5275 1
1293 . 1 1 136 136 THR HG21 H 1 1.767 0.000 . 1 . . . . . . . . 5275 1
1294 . 1 1 136 136 THR HG22 H 1 1.767 0.000 . 1 . . . . . . . . 5275 1
1295 . 1 1 136 136 THR HG23 H 1 1.767 0.000 . 1 . . . . . . . . 5275 1
1296 . 1 1 136 136 THR CG2 C 13 22.812 0.000 . 1 . . . . . . . . 5275 1
1297 . 1 1 136 136 THR C C 13 172.543 0.000 . 1 . . . . . . . . 5275 1
1298 . 1 1 137 137 PRO CA C 13 63.209 0.000 . 1 . . . . . . . . 5275 1
1299 . 1 1 137 137 PRO HA H 1 4.949 0.000 . 1 . . . . . . . . 5275 1
1300 . 1 1 137 137 PRO CB C 13 30.620 0.000 . 1 . . . . . . . . 5275 1
1301 . 1 1 137 137 PRO HB3 H 1 1.708 0.000 . 2 . . . . . . . . 5275 1
1302 . 1 1 137 137 PRO HG2 H 1 2.088 0.000 . 2 . . . . . . . . 5275 1
1303 . 1 1 137 137 PRO HG3 H 1 1.668 0.000 . 2 . . . . . . . . 5275 1
1304 . 1 1 137 137 PRO HD2 H 1 3.718 0.000 . 2 . . . . . . . . 5275 1
1305 . 1 1 137 137 PRO HD3 H 1 3.423 0.000 . 2 . . . . . . . . 5275 1
1306 . 1 1 137 137 PRO C C 13 173.266 0.000 . 1 . . . . . . . . 5275 1
1307 . 1 1 138 138 ASN N N 15 122.055 0.000 . 1 . . . . . . . . 5275 1
1308 . 1 1 138 138 ASN H H 1 9.129 0.000 . 1 . . . . . . . . 5275 1
1309 . 1 1 138 138 ASN CA C 13 52.385 0.000 . 1 . . . . . . . . 5275 1
1310 . 1 1 138 138 ASN HA H 1 5.470 0.000 . 1 . . . . . . . . 5275 1
1311 . 1 1 138 138 ASN CB C 13 40.196 0.000 . 1 . . . . . . . . 5275 1
1312 . 1 1 138 138 ASN HB2 H 1 2.975 0.000 . 2 . . . . . . . . 5275 1
1313 . 1 1 138 138 ASN HB3 H 1 2.647 0.000 . 2 . . . . . . . . 5275 1
1314 . 1 1 138 138 ASN ND2 N 15 114.714 0.000 . 1 . . . . . . . . 5275 1
1315 . 1 1 138 138 ASN HD21 H 1 7.820 0.000 . 2 . . . . . . . . 5275 1
1316 . 1 1 138 138 ASN HD22 H 1 7.024 0.000 . 2 . . . . . . . . 5275 1
1317 . 1 1 138 138 ASN C C 13 176.521 0.000 . 1 . . . . . . . . 5275 1
1318 . 1 1 139 139 VAL N N 15 117.060 0.000 . 1 . . . . . . . . 5275 1
1319 . 1 1 139 139 VAL H H 1 8.750 0.000 . 1 . . . . . . . . 5275 1
1320 . 1 1 139 139 VAL CA C 13 63.515 0.000 . 1 . . . . . . . . 5275 1
1321 . 1 1 139 139 VAL HA H 1 4.493 0.000 . 1 . . . . . . . . 5275 1
1322 . 1 1 139 139 VAL CB C 13 32.998 0.000 . 1 . . . . . . . . 5275 1
1323 . 1 1 139 139 VAL HB H 1 2.922 0.000 . 1 . . . . . . . . 5275 1
1324 . 1 1 139 139 VAL HG11 H 1 1.083 0.000 . 1 . . . . . . . . 5275 1
1325 . 1 1 139 139 VAL HG12 H 1 1.083 0.000 . 1 . . . . . . . . 5275 1
1326 . 1 1 139 139 VAL HG13 H 1 1.083 0.000 . 1 . . . . . . . . 5275 1
1327 . 1 1 139 139 VAL HG21 H 1 0.965 0.000 . 1 . . . . . . . . 5275 1
1328 . 1 1 139 139 VAL HG22 H 1 0.965 0.000 . 1 . . . . . . . . 5275 1
1329 . 1 1 139 139 VAL HG23 H 1 0.965 0.000 . 1 . . . . . . . . 5275 1
1330 . 1 1 139 139 VAL CG1 C 13 23.809 0.000 . 1 . . . . . . . . 5275 1
1331 . 1 1 139 139 VAL CG2 C 13 23.497 0.000 . 1 . . . . . . . . 5275 1
1332 . 1 1 139 139 VAL C C 13 176.425 0.000 . 1 . . . . . . . . 5275 1
1333 . 1 1 140 140 THR N N 15 112.010 0.000 . 1 . . . . . . . . 5275 1
1334 . 1 1 140 140 THR H H 1 8.632 0.000 . 1 . . . . . . . . 5275 1
1335 . 1 1 140 140 THR CA C 13 59.689 0.000 . 1 . . . . . . . . 5275 1
1336 . 1 1 140 140 THR HA H 1 4.758 0.000 . 1 . . . . . . . . 5275 1
1337 . 1 1 140 140 THR CB C 13 71.383 0.000 . 1 . . . . . . . . 5275 1
1338 . 1 1 140 140 THR HB H 1 4.587 0.000 . 1 . . . . . . . . 5275 1
1339 . 1 1 140 140 THR HG21 H 1 1.327 0.000 . 1 . . . . . . . . 5275 1
1340 . 1 1 140 140 THR HG22 H 1 1.327 0.000 . 1 . . . . . . . . 5275 1
1341 . 1 1 140 140 THR HG23 H 1 1.327 0.000 . 1 . . . . . . . . 5275 1
1342 . 1 1 140 140 THR CG2 C 13 21.090 0.000 . 1 . . . . . . . . 5275 1
1343 . 1 1 140 140 THR C C 13 173.286 0.000 . 1 . . . . . . . . 5275 1
1344 . 1 1 141 141 THR N N 15 107.906 0.000 . 1 . . . . . . . . 5275 1
1345 . 1 1 141 141 THR H H 1 8.066 0.000 . 1 . . . . . . . . 5275 1
1346 . 1 1 141 141 THR CA C 13 59.714 0.000 . 1 . . . . . . . . 5275 1
1347 . 1 1 141 141 THR HA H 1 5.092 0.000 . 1 . . . . . . . . 5275 1
1348 . 1 1 141 141 THR CB C 13 72.995 0.000 . 1 . . . . . . . . 5275 1
1349 . 1 1 141 141 THR HB H 1 4.347 0.000 . 1 . . . . . . . . 5275 1
1350 . 1 1 141 141 THR HG21 H 1 0.533 0.000 . 1 . . . . . . . . 5275 1
1351 . 1 1 141 141 THR HG22 H 1 0.533 0.000 . 1 . . . . . . . . 5275 1
1352 . 1 1 141 141 THR HG23 H 1 0.533 0.000 . 1 . . . . . . . . 5275 1
1353 . 1 1 141 141 THR CG2 C 13 21.090 0.000 . 1 . . . . . . . . 5275 1
1354 . 1 1 141 141 THR C C 13 174.133 0.000 . 1 . . . . . . . . 5275 1
1355 . 1 1 142 142 LYS N N 15 119.561 0.000 . 1 . . . . . . . . 5275 1
1356 . 1 1 142 142 LYS H H 1 9.169 0.000 . 1 . . . . . . . . 5275 1
1357 . 1 1 142 142 LYS CA C 13 54.075 0.000 . 1 . . . . . . . . 5275 1
1358 . 1 1 142 142 LYS HA H 1 4.670 0.000 . 1 . . . . . . . . 5275 1
1359 . 1 1 142 142 LYS CB C 13 35.430 0.000 . 1 . . . . . . . . 5275 1
1360 . 1 1 142 142 LYS HB2 H 1 1.454 0.000 . 2 . . . . . . . . 5275 1
1361 . 1 1 142 142 LYS HB3 H 1 1.605 0.000 . 2 . . . . . . . . 5275 1
1362 . 1 1 142 142 LYS HG2 H 1 0.680 0.000 . 2 . . . . . . . . 5275 1
1363 . 1 1 142 142 LYS HG3 H 1 1.096 0.000 . 2 . . . . . . . . 5275 1
1364 . 1 1 142 142 LYS C C 13 172.925 0.000 . 1 . . . . . . . . 5275 1
1365 . 1 1 143 143 TYR N N 15 113.082 0.000 . 1 . . . . . . . . 5275 1
1366 . 1 1 143 143 TYR H H 1 7.530 0.000 . 1 . . . . . . . . 5275 1
1367 . 1 1 143 143 TYR HA H 1 5.494 0.000 . 1 . . . . . . . . 5275 1
1368 . 1 1 143 143 TYR CB C 13 40.518 0.000 . 1 . . . . . . . . 5275 1
1369 . 1 1 143 143 TYR HB2 H 1 2.575 0.000 . 2 . . . . . . . . 5275 1
1370 . 1 1 143 143 TYR HB3 H 1 1.934 0.000 . 2 . . . . . . . . 5275 1
1371 . 1 1 143 143 TYR HE1 H 1 6.724 0.000 . 1 . . . . . . . . 5275 1
1372 . 1 1 143 143 TYR HE2 H 1 6.724 0.000 . 1 . . . . . . . . 5275 1
1373 . 1 1 143 143 TYR HD1 H 1 6.548 0.000 . 1 . . . . . . . . 5275 1
1374 . 1 1 143 143 TYR HD2 H 1 6.548 0.000 . 1 . . . . . . . . 5275 1
1375 . 1 1 143 143 TYR C C 13 174.559 0.000 . 1 . . . . . . . . 5275 1
1376 . 1 1 143 143 TYR CA C 13 54.903 0.000 . 1 . . . . . . . . 5275 1
1377 . 1 1 144 144 TYR N N 15 116.775 0.000 . 1 . . . . . . . . 5275 1
1378 . 1 1 144 144 TYR H H 1 8.918 0.000 . 1 . . . . . . . . 5275 1
1379 . 1 1 144 144 TYR CA C 13 55.249 0.000 . 1 . . . . . . . . 5275 1
1380 . 1 1 144 144 TYR HA H 1 4.706 0.000 . 1 . . . . . . . . 5275 1
1381 . 1 1 144 144 TYR CB C 13 39.869 0.000 . 1 . . . . . . . . 5275 1
1382 . 1 1 144 144 TYR HB2 H 1 2.549 0.000 . 2 . . . . . . . . 5275 1
1383 . 1 1 144 144 TYR HB3 H 1 2.666 0.000 . 2 . . . . . . . . 5275 1
1384 . 1 1 144 144 TYR HE1 H 1 6.236 0.000 . 1 . . . . . . . . 5275 1
1385 . 1 1 144 144 TYR HE2 H 1 6.236 0.000 . 1 . . . . . . . . 5275 1
1386 . 1 1 144 144 TYR HD1 H 1 6.853 0.000 . 1 . . . . . . . . 5275 1
1387 . 1 1 144 144 TYR HD2 H 1 6.853 0.000 . 1 . . . . . . . . 5275 1
1388 . 1 1 144 144 TYR C C 13 178.221 0.000 . 1 . . . . . . . . 5275 1
1389 . 1 1 145 145 SER CA C 13 60.734 0.000 . 1 . . . . . . . . 5275 1
1390 . 1 1 145 145 SER HA H 1 4.365 0.000 . 1 . . . . . . . . 5275 1
1391 . 1 1 145 145 SER CB C 13 62.553 0.000 . 1 . . . . . . . . 5275 1
1392 . 1 1 145 145 SER HB2 H 1 3.961 0.000 . 1 . . . . . . . . 5275 1
1393 . 1 1 145 145 SER HB3 H 1 3.961 0.000 . 1 . . . . . . . . 5275 1
1394 . 1 1 145 145 SER C C 13 174.360 0.000 . 1 . . . . . . . . 5275 1
1395 . 1 1 146 146 THR N N 15 125.197 0.000 . 1 . . . . . . . . 5275 1
1396 . 1 1 146 146 THR CA C 13 61.456 0.000 . 1 . . . . . . . . 5275 1
1397 . 1 1 146 146 THR HA H 1 4.966 0.000 . 1 . . . . . . . . 5275 1
1398 . 1 1 146 146 THR CB C 13 72.699 0.000 . 1 . . . . . . . . 5275 1
1399 . 1 1 146 146 THR HG21 H 1 1.042 0.000 . 1 . . . . . . . . 5275 1
1400 . 1 1 146 146 THR HG22 H 1 1.042 0.000 . 1 . . . . . . . . 5275 1
1401 . 1 1 146 146 THR HG23 H 1 1.042 0.000 . 1 . . . . . . . . 5275 1
1402 . 1 1 146 146 THR HB H 1 3.652 0.000 . 1 . . . . . . . . 5275 1
1403 . 1 1 146 146 THR CG2 C 13 19.712 0.000 . 1 . . . . . . . . 5275 1
1404 . 1 1 146 146 THR C C 13 172.471 0.000 . 1 . . . . . . . . 5275 1
1405 . 1 1 146 146 THR H H 1 8.831 0.000 . 1 . . . . . . . . 5275 1
1406 . 1 1 147 147 THR N N 15 126.414 0.000 . 1 . . . . . . . . 5275 1
1407 . 1 1 147 147 THR H H 1 8.766 0.000 . 1 . . . . . . . . 5275 1
1408 . 1 1 147 147 THR CA C 13 63.158 0.000 . 1 . . . . . . . . 5275 1
1409 . 1 1 147 147 THR HA H 1 4.569 0.000 . 1 . . . . . . . . 5275 1
1410 . 1 1 147 147 THR CB C 13 67.502 0.000 . 1 . . . . . . . . 5275 1
1411 . 1 1 147 147 THR HB H 1 4.583 0.000 . 1 . . . . . . . . 5275 1
1412 . 1 1 147 147 THR HG21 H 1 1.233 0.000 . 1 . . . . . . . . 5275 1
1413 . 1 1 147 147 THR HG22 H 1 1.233 0.000 . 1 . . . . . . . . 5275 1
1414 . 1 1 147 147 THR HG23 H 1 1.233 0.000 . 1 . . . . . . . . 5275 1
1415 . 1 1 147 147 THR C C 13 174.979 0.000 . 1 . . . . . . . . 5275 1
1416 . 1 1 148 148 ASN N N 15 123.149 0.000 . 1 . . . . . . . . 5275 1
1417 . 1 1 148 148 ASN H H 1 9.431 0.000 . 1 . . . . . . . . 5275 1
1418 . 1 1 148 148 ASN CA C 13 54.116 0.000 . 1 . . . . . . . . 5275 1
1419 . 1 1 148 148 ASN HA H 1 4.009 0.000 . 1 . . . . . . . . 5275 1
1420 . 1 1 148 148 ASN CB C 13 36.458 0.000 . 1 . . . . . . . . 5275 1
1421 . 1 1 148 148 ASN HB2 H 1 3.371 0.000 . 1 . . . . . . . . 5275 1
1422 . 1 1 148 148 ASN HB3 H 1 3.371 0.000 . 1 . . . . . . . . 5275 1
1423 . 1 1 148 148 ASN C C 13 177.705 0.000 . 1 . . . . . . . . 5275 1
1424 . 1 1 149 149 TYR N N 15 117.520 0.000 . 1 . . . . . . . . 5275 1
1425 . 1 1 149 149 TYR H H 1 8.130 0.000 . 1 . . . . . . . . 5275 1
1426 . 1 1 149 149 TYR CA C 13 60.240 0.000 . 1 . . . . . . . . 5275 1
1427 . 1 1 149 149 TYR HA H 1 3.784 0.000 . 1 . . . . . . . . 5275 1
1428 . 1 1 149 149 TYR CB C 13 37.364 0.000 . 1 . . . . . . . . 5275 1
1429 . 1 1 149 149 TYR HB2 H 1 3.446 0.000 . 2 . . . . . . . . 5275 1
1430 . 1 1 149 149 TYR HB3 H 1 2.496 0.000 . 2 . . . . . . . . 5275 1
1431 . 1 1 149 149 TYR HE1 H 1 6.813 0.000 . 1 . . . . . . . . 5275 1
1432 . 1 1 149 149 TYR HE2 H 1 6.813 0.000 . 1 . . . . . . . . 5275 1
1433 . 1 1 149 149 TYR HD1 H 1 7.231 0.000 . 1 . . . . . . . . 5275 1
1434 . 1 1 149 149 TYR HD2 H 1 7.231 0.000 . 1 . . . . . . . . 5275 1
1435 . 1 1 149 149 TYR C C 13 174.357 0.000 . 1 . . . . . . . . 5275 1
1436 . 1 1 150 150 ASP N N 15 117.707 0.000 . 1 . . . . . . . . 5275 1
1437 . 1 1 150 150 ASP H H 1 8.117 0.000 . 1 . . . . . . . . 5275 1
1438 . 1 1 150 150 ASP CA C 13 54.785 0.000 . 1 . . . . . . . . 5275 1
1439 . 1 1 150 150 ASP HA H 1 3.211 0.000 . 1 . . . . . . . . 5275 1
1440 . 1 1 150 150 ASP CB C 13 38.421 0.000 . 1 . . . . . . . . 5275 1
1441 . 1 1 150 150 ASP HB2 H 1 1.733 0.000 . 2 . . . . . . . . 5275 1
1442 . 1 1 150 150 ASP HB3 H 1 2.302 0.000 . 2 . . . . . . . . 5275 1
1443 . 1 1 150 150 ASP C C 13 177.541 0.000 . 1 . . . . . . . . 5275 1
1444 . 1 1 151 151 SER N N 15 115.803 0.000 . 1 . . . . . . . . 5275 1
1445 . 1 1 151 151 SER H H 1 7.749 0.000 . 1 . . . . . . . . 5275 1
1446 . 1 1 151 151 SER CA C 13 57.769 0.000 . 1 . . . . . . . . 5275 1
1447 . 1 1 151 151 SER HA H 1 4.468 0.000 . 1 . . . . . . . . 5275 1
1448 . 1 1 151 151 SER CB C 13 64.023 0.000 . 1 . . . . . . . . 5275 1
1449 . 1 1 151 151 SER HB2 H 1 3.750 0.000 . 2 . . . . . . . . 5275 1
1450 . 1 1 151 151 SER HB3 H 1 3.988 0.000 . 2 . . . . . . . . 5275 1
1451 . 1 1 151 151 SER C C 13 174.331 0.000 . 1 . . . . . . . . 5275 1
1452 . 1 1 152 152 VAL N N 15 120.391 0.000 . 1 . . . . . . . . 5275 1
1453 . 1 1 152 152 VAL H H 1 6.723 0.000 . 1 . . . . . . . . 5275 1
1454 . 1 1 152 152 VAL CA C 13 63.685 0.000 . 1 . . . . . . . . 5275 1
1455 . 1 1 152 152 VAL HA H 1 3.619 0.000 . 1 . . . . . . . . 5275 1
1456 . 1 1 152 152 VAL CB C 13 31.712 0.000 . 1 . . . . . . . . 5275 1
1457 . 1 1 152 152 VAL HB H 1 1.808 0.000 . 1 . . . . . . . . 5275 1
1458 . 1 1 152 152 VAL HG11 H 1 0.706 0.000 . 1 . . . . . . . . 5275 1
1459 . 1 1 152 152 VAL HG12 H 1 0.706 0.000 . 1 . . . . . . . . 5275 1
1460 . 1 1 152 152 VAL HG13 H 1 0.706 0.000 . 1 . . . . . . . . 5275 1
1461 . 1 1 152 152 VAL HG21 H 1 0.892 0.000 . 1 . . . . . . . . 5275 1
1462 . 1 1 152 152 VAL HG22 H 1 0.892 0.000 . 1 . . . . . . . . 5275 1
1463 . 1 1 152 152 VAL HG23 H 1 0.892 0.000 . 1 . . . . . . . . 5275 1
1464 . 1 1 152 152 VAL CG1 C 13 20.399 0.000 . 1 . . . . . . . . 5275 1
1465 . 1 1 152 152 VAL CG2 C 13 23.498 0.000 . 1 . . . . . . . . 5275 1
1466 . 1 1 152 152 VAL C C 13 175.475 0.000 . 1 . . . . . . . . 5275 1
1467 . 1 1 153 153 ASN N N 15 128.617 0.000 . 1 . . . . . . . . 5275 1
1468 . 1 1 153 153 ASN H H 1 8.506 0.000 . 1 . . . . . . . . 5275 1
1469 . 1 1 153 153 ASN CA C 13 52.219 0.000 . 1 . . . . . . . . 5275 1
1470 . 1 1 153 153 ASN HA H 1 5.005 0.000 . 1 . . . . . . . . 5275 1
1471 . 1 1 153 153 ASN CB C 13 39.944 0.000 . 1 . . . . . . . . 5275 1
1472 . 1 1 153 153 ASN HB2 H 1 2.432 0.000 . 2 . . . . . . . . 5275 1
1473 . 1 1 153 153 ASN HB3 H 1 2.819 0.000 . 2 . . . . . . . . 5275 1
1474 . 1 1 153 153 ASN ND2 N 15 111.089 0.000 . 1 . . . . . . . . 5275 1
1475 . 1 1 153 153 ASN HD21 H 1 7.220 0.000 . 2 . . . . . . . . 5275 1
1476 . 1 1 153 153 ASN HD22 H 1 6.771 0.000 . 2 . . . . . . . . 5275 1
1477 . 1 1 153 153 ASN C C 13 174.701 0.000 . 1 . . . . . . . . 5275 1
1478 . 1 1 154 154 MET N N 15 119.288 0.000 . 1 . . . . . . . . 5275 1
1479 . 1 1 154 154 MET H H 1 8.939 0.000 . 1 . . . . . . . . 5275 1
1480 . 1 1 154 154 MET CA C 13 53.734 0.000 . 1 . . . . . . . . 5275 1
1481 . 1 1 154 154 MET HA H 1 5.599 0.000 . 1 . . . . . . . . 5275 1
1482 . 1 1 154 154 MET CB C 13 36.029 0.000 . 1 . . . . . . . . 5275 1
1483 . 1 1 154 154 MET HB2 H 1 1.498 0.000 . 2 . . . . . . . . 5275 1
1484 . 1 1 154 154 MET HB3 H 1 1.658 0.000 . 2 . . . . . . . . 5275 1
1485 . 1 1 154 154 MET CG C 13 31.880 0.000 . 1 . . . . . . . . 5275 1
1486 . 1 1 154 154 MET HG2 H 1 0.700 0.000 . 2 . . . . . . . . 5275 1
1487 . 1 1 154 154 MET HG3 H 1 2.360 0.000 . 2 . . . . . . . . 5275 1
1488 . 1 1 154 154 MET C C 13 174.690 0.000 . 1 . . . . . . . . 5275 1
1489 . 1 1 155 155 THR H H 1 9.344 0.000 . 1 . . . . . . . . 5275 1
1490 . 1 1 155 155 THR N N 15 118.892 0.000 . 1 . . . . . . . . 5275 1
1491 . 1 1 155 155 THR CA C 13 61.349 0.000 . 1 . . . . . . . . 5275 1
1492 . 1 1 155 155 THR HA H 1 4.933 0.000 . 1 . . . . . . . . 5275 1
1493 . 1 1 155 155 THR HB H 1 3.768 0.000 . 1 . . . . . . . . 5275 1
1494 . 1 1 155 155 THR CG2 C 13 21.776 0.000 . 1 . . . . . . . . 5275 1
1495 . 1 1 155 155 THR HG21 H 1 0.357 0.000 . 1 . . . . . . . . 5275 1
1496 . 1 1 155 155 THR HG22 H 1 0.357 0.000 . 1 . . . . . . . . 5275 1
1497 . 1 1 155 155 THR HG23 H 1 0.357 0.000 . 1 . . . . . . . . 5275 1
1498 . 1 1 155 155 THR CB C 13 69.969 0.000 . 1 . . . . . . . . 5275 1
1499 . 1 1 155 155 THR C C 13 172.849 0.000 . 1 . . . . . . . . 5275 1
1500 . 1 1 156 156 ALA N N 15 127.507 0.000 . 1 . . . . . . . . 5275 1
1501 . 1 1 156 156 ALA H H 1 8.352 0.000 . 1 . . . . . . . . 5275 1
1502 . 1 1 156 156 ALA CA C 13 50.449 0.000 . 1 . . . . . . . . 5275 1
1503 . 1 1 156 156 ALA HA H 1 4.692 0.000 . 1 . . . . . . . . 5275 1
1504 . 1 1 156 156 ALA HB1 H 1 1.520 0.000 . 1 . . . . . . . . 5275 1
1505 . 1 1 156 156 ALA HB2 H 1 1.520 0.000 . 1 . . . . . . . . 5275 1
1506 . 1 1 156 156 ALA HB3 H 1 1.520 0.000 . 1 . . . . . . . . 5275 1
1507 . 1 1 156 156 ALA CB C 13 21.768 0.000 . 1 . . . . . . . . 5275 1
1508 . 1 1 156 156 ALA C C 13 176.931 0.000 . 1 . . . . . . . . 5275 1
1509 . 1 1 157 157 PHE N N 15 119.935 0.000 . 1 . . . . . . . . 5275 1
1510 . 1 1 157 157 PHE H H 1 8.380 0.000 . 1 . . . . . . . . 5275 1
1511 . 1 1 157 157 PHE CA C 13 58.007 0.000 . 1 . . . . . . . . 5275 1
1512 . 1 1 157 157 PHE HA H 1 4.734 0.000 . 1 . . . . . . . . 5275 1
1513 . 1 1 157 157 PHE CB C 13 38.004 0.000 . 1 . . . . . . . . 5275 1
1514 . 1 1 157 157 PHE HB2 H 1 2.921 0.000 . 2 . . . . . . . . 5275 1
1515 . 1 1 157 157 PHE HB3 H 1 3.574 0.000 . 2 . . . . . . . . 5275 1
1516 . 1 1 157 157 PHE HD1 H 1 7.022 0.000 . 1 . . . . . . . . 5275 1
1517 . 1 1 157 157 PHE HD2 H 1 7.022 0.000 . 1 . . . . . . . . 5275 1
1518 . 1 1 157 157 PHE HE1 H 1 7.129 0.000 . 1 . . . . . . . . 5275 1
1519 . 1 1 157 157 PHE HE2 H 1 7.129 0.000 . 1 . . . . . . . . 5275 1
1520 . 1 1 157 157 PHE C C 13 173.751 0.000 . 1 . . . . . . . . 5275 1
1521 . 1 1 158 158 CYS N N 15 116.096 0.000 . 1 . . . . . . . . 5275 1
1522 . 1 1 158 158 CYS H H 1 7.986 0.000 . 1 . . . . . . . . 5275 1
1523 . 1 1 158 158 CYS CA C 13 54.197 0.000 . 1 . . . . . . . . 5275 1
1524 . 1 1 158 158 CYS HA H 1 5.027 0.000 . 1 . . . . . . . . 5275 1
1525 . 1 1 158 158 CYS CB C 13 32.169 0.000 . 1 . . . . . . . . 5275 1
1526 . 1 1 158 158 CYS HB2 H 1 3.367 0.000 . 1 . . . . . . . . 5275 1
1527 . 1 1 158 158 CYS HB3 H 1 3.367 0.000 . 1 . . . . . . . . 5275 1
1528 . 1 1 158 158 CYS C C 13 170.519 0.000 . 1 . . . . . . . . 5275 1
1529 . 1 1 159 159 ASP N N 15 118.827 0.000 . 1 . . . . . . . . 5275 1
1530 . 1 1 159 159 ASP H H 1 8.210 0.000 . 1 . . . . . . . . 5275 1
1531 . 1 1 159 159 ASP CA C 13 54.426 0.000 . 1 . . . . . . . . 5275 1
1532 . 1 1 159 159 ASP HA H 1 5.193 0.000 . 1 . . . . . . . . 5275 1
1533 . 1 1 159 159 ASP CB C 13 41.438 0.000 . 1 . . . . . . . . 5275 1
1534 . 1 1 159 159 ASP HB2 H 1 2.341 0.000 . 2 . . . . . . . . 5275 1
1535 . 1 1 159 159 ASP HB3 H 1 2.620 0.000 . 2 . . . . . . . . 5275 1
1536 . 1 1 159 159 ASP C C 13 176.188 0.000 . 1 . . . . . . . . 5275 1
1537 . 1 1 160 160 PHE N N 15 113.339 0.000 . 1 . . . . . . . . 5275 1
1538 . 1 1 160 160 PHE H H 1 8.323 0.000 . 1 . . . . . . . . 5275 1
1539 . 1 1 160 160 PHE CA C 13 55.136 0.000 . 1 . . . . . . . . 5275 1
1540 . 1 1 160 160 PHE HA H 1 6.109 0.000 . 1 . . . . . . . . 5275 1
1541 . 1 1 160 160 PHE CB C 13 43.126 0.000 . 1 . . . . . . . . 5275 1
1542 . 1 1 160 160 PHE HB2 H 1 3.070 0.000 . 2 . . . . . . . . 5275 1
1543 . 1 1 160 160 PHE HB3 H 1 3.111 0.000 . 2 . . . . . . . . 5275 1
1544 . 1 1 160 160 PHE HZ H 1 7.072 0.000 . 1 . . . . . . . . 5275 1
1545 . 1 1 160 160 PHE HD1 H 1 7.132 0.000 . 1 . . . . . . . . 5275 1
1546 . 1 1 160 160 PHE HD2 H 1 7.132 0.000 . 1 . . . . . . . . 5275 1
1547 . 1 1 160 160 PHE HE1 H 1 6.211 0.000 . 1 . . . . . . . . 5275 1
1548 . 1 1 160 160 PHE HE2 H 1 6.211 0.000 . 1 . . . . . . . . 5275 1
1549 . 1 1 160 160 PHE C C 13 172.553 0.000 . 1 . . . . . . . . 5275 1
1550 . 1 1 161 161 TYR N N 15 118.524 0.000 . 1 . . . . . . . . 5275 1
1551 . 1 1 161 161 TYR H H 1 9.847 0.000 . 1 . . . . . . . . 5275 1
1552 . 1 1 161 161 TYR CA C 13 55.477 0.000 . 1 . . . . . . . . 5275 1
1553 . 1 1 161 161 TYR HA H 1 5.556 0.000 . 1 . . . . . . . . 5275 1
1554 . 1 1 161 161 TYR CB C 13 42.592 0.000 . 1 . . . . . . . . 5275 1
1555 . 1 1 161 161 TYR HB2 H 1 2.861 0.000 . 2 . . . . . . . . 5275 1
1556 . 1 1 161 161 TYR HB3 H 1 3.050 0.000 . 2 . . . . . . . . 5275 1
1557 . 1 1 161 161 TYR HE1 H 1 6.439 0.000 . 1 . . . . . . . . 5275 1
1558 . 1 1 161 161 TYR HE2 H 1 6.439 0.000 . 1 . . . . . . . . 5275 1
1559 . 1 1 161 161 TYR HD1 H 1 6.856 0.000 . 1 . . . . . . . . 5275 1
1560 . 1 1 161 161 TYR HD2 H 1 6.856 0.000 . 1 . . . . . . . . 5275 1
1561 . 1 1 161 161 TYR C C 13 175.413 0.000 . 1 . . . . . . . . 5275 1
1562 . 1 1 162 162 ILE N N 15 120.972 0.000 . 1 . . . . . . . . 5275 1
1563 . 1 1 162 162 ILE H H 1 9.312 0.000 . 1 . . . . . . . . 5275 1
1564 . 1 1 162 162 ILE CA C 13 59.340 0.000 . 1 . . . . . . . . 5275 1
1565 . 1 1 162 162 ILE HA H 1 5.804 0.000 . 1 . . . . . . . . 5275 1
1566 . 1 1 162 162 ILE CB C 13 39.643 0.000 . 1 . . . . . . . . 5275 1
1567 . 1 1 162 162 ILE HB H 1 2.253 0.000 . 1 . . . . . . . . 5275 1
1568 . 1 1 162 162 ILE HG21 H 1 1.079 0.000 . 1 . . . . . . . . 5275 1
1569 . 1 1 162 162 ILE HG22 H 1 1.079 0.000 . 1 . . . . . . . . 5275 1
1570 . 1 1 162 162 ILE HG23 H 1 1.079 0.000 . 1 . . . . . . . . 5275 1
1571 . 1 1 162 162 ILE CG2 C 13 18.333 0.000 . 1 . . . . . . . . 5275 1
1572 . 1 1 162 162 ILE CG1 C 13 27.630 0.000 . 1 . . . . . . . . 5275 1
1573 . 1 1 162 162 ILE HG12 H 1 1.506 0.000 . 1 . . . . . . . . 5275 1
1574 . 1 1 162 162 ILE HG13 H 1 1.731 0.000 . 1 . . . . . . . . 5275 1
1575 . 1 1 162 162 ILE HD11 H 1 0.871 0.000 . 1 . . . . . . . . 5275 1
1576 . 1 1 162 162 ILE HD12 H 1 0.871 0.000 . 1 . . . . . . . . 5275 1
1577 . 1 1 162 162 ILE HD13 H 1 0.871 0.000 . 1 . . . . . . . . 5275 1
1578 . 1 1 162 162 ILE CD1 C 13 17.644 0.000 . 1 . . . . . . . . 5275 1
1579 . 1 1 162 162 ILE C C 13 176.703 0.000 . 1 . . . . . . . . 5275 1
1580 . 1 1 163 163 ILE N N 15 128.319 0.000 . 1 . . . . . . . . 5275 1
1581 . 1 1 163 163 ILE H H 1 9.576 0.000 . 1 . . . . . . . . 5275 1
1582 . 1 1 163 163 ILE CA C 13 58.222 0.000 . 1 . . . . . . . . 5275 1
1583 . 1 1 163 163 ILE HA H 1 5.300 0.000 . 1 . . . . . . . . 5275 1
1584 . 1 1 163 163 ILE CB C 13 43.858 0.000 . 1 . . . . . . . . 5275 1
1585 . 1 1 163 163 ILE HB H 1 1.927 0.000 . 1 . . . . . . . . 5275 1
1586 . 1 1 163 163 ILE HG21 H 1 1.133 0.000 . 1 . . . . . . . . 5275 1
1587 . 1 1 163 163 ILE HG22 H 1 1.133 0.000 . 1 . . . . . . . . 5275 1
1588 . 1 1 163 163 ILE HG23 H 1 1.133 0.000 . 1 . . . . . . . . 5275 1
1589 . 1 1 163 163 ILE CG2 C 13 16.267 0.000 . 1 . . . . . . . . 5275 1
1590 . 1 1 163 163 ILE CG1 C 13 27.630 0.000 . 1 . . . . . . . . 5275 1
1591 . 1 1 163 163 ILE HG12 H 1 1.432 0.000 . 1 . . . . . . . . 5275 1
1592 . 1 1 163 163 ILE HG13 H 1 1.801 0.000 . 1 . . . . . . . . 5275 1
1593 . 1 1 163 163 ILE HD11 H 1 0.917 0.000 . 1 . . . . . . . . 5275 1
1594 . 1 1 163 163 ILE HD12 H 1 0.917 0.000 . 1 . . . . . . . . 5275 1
1595 . 1 1 163 163 ILE HD13 H 1 0.917 0.000 . 1 . . . . . . . . 5275 1
1596 . 1 1 163 163 ILE CD1 C 13 14.890 0.000 . 1 . . . . . . . . 5275 1
1597 . 1 1 163 163 ILE C C 13 173.390 0.000 . 1 . . . . . . . . 5275 1
1598 . 1 1 164 164 PRO CA C 13 63.171 0.000 . 1 . . . . . . . . 5275 1
1599 . 1 1 164 164 PRO HA H 1 4.057 0.000 . 1 . . . . . . . . 5275 1
1600 . 1 1 164 164 PRO CB C 13 32.212 0.000 . 1 . . . . . . . . 5275 1
1601 . 1 1 164 164 PRO HB2 H 1 2.755 0.000 . 2 . . . . . . . . 5275 1
1602 . 1 1 164 164 PRO HB3 H 1 1.979 0.000 . 2 . . . . . . . . 5275 1
1603 . 1 1 164 164 PRO C C 13 177.808 0.000 . 1 . . . . . . . . 5275 1
1604 . 1 1 165 165 ARG N N 15 121.988 0.000 . 1 . . . . . . . . 5275 1
1605 . 1 1 165 165 ARG H H 1 8.036 0.000 . 1 . . . . . . . . 5275 1
1606 . 1 1 165 165 ARG CA C 13 59.700 0.000 . 1 . . . . . . . . 5275 1
1607 . 1 1 165 165 ARG HA H 1 3.818 0.000 . 1 . . . . . . . . 5275 1
1608 . 1 1 165 165 ARG CB C 13 29.075 0.000 . 1 . . . . . . . . 5275 1
1609 . 1 1 165 165 ARG HB2 H 1 1.454 0.000 . 2 . . . . . . . . 5275 1
1610 . 1 1 165 165 ARG HB3 H 1 1.488 0.000 . 2 . . . . . . . . 5275 1
1611 . 1 1 165 165 ARG HG2 H 1 1.335 0.000 . 1 . . . . . . . . 5275 1
1612 . 1 1 165 165 ARG HG3 H 1 1.335 0.000 . 1 . . . . . . . . 5275 1
1613 . 1 1 165 165 ARG C C 13 178.242 0.000 . 1 . . . . . . . . 5275 1
1614 . 1 1 166 166 GLU N N 15 119.569 0.000 . 1 . . . . . . . . 5275 1
1615 . 1 1 166 166 GLU H H 1 9.438 0.000 . 1 . . . . . . . . 5275 1
1616 . 1 1 166 166 GLU CA C 13 59.219 0.000 . 1 . . . . . . . . 5275 1
1617 . 1 1 166 166 GLU HA H 1 4.075 0.000 . 1 . . . . . . . . 5275 1
1618 . 1 1 166 166 GLU CB C 13 28.750 0.000 . 1 . . . . . . . . 5275 1
1619 . 1 1 166 166 GLU HB2 H 1 2.064 0.000 . 1 . . . . . . . . 5275 1
1620 . 1 1 166 166 GLU HB3 H 1 2.064 0.000 . 1 . . . . . . . . 5275 1
1621 . 1 1 166 166 GLU CG C 13 36.932 0.000 . 1 . . . . . . . . 5275 1
1622 . 1 1 166 166 GLU HG2 H 1 2.321 0.000 . 2 . . . . . . . . 5275 1
1623 . 1 1 166 166 GLU HG3 H 1 2.458 0.000 . 2 . . . . . . . . 5275 1
1624 . 1 1 166 166 GLU C C 13 177.499 0.000 . 1 . . . . . . . . 5275 1
1625 . 1 1 167 167 GLU N N 15 118.047 0.000 . 1 . . . . . . . . 5275 1
1626 . 1 1 167 167 GLU H H 1 7.951 0.000 . 1 . . . . . . . . 5275 1
1627 . 1 1 167 167 GLU CA C 13 54.146 0.000 . 1 . . . . . . . . 5275 1
1628 . 1 1 167 167 GLU HA H 1 4.859 0.000 . 1 . . . . . . . . 5275 1
1629 . 1 1 167 167 GLU CB C 13 27.756 0.000 . 1 . . . . . . . . 5275 1
1630 . 1 1 167 167 GLU HB2 H 1 2.483 0.000 . 2 . . . . . . . . 5275 1
1631 . 1 1 167 167 GLU HB3 H 1 1.777 0.000 . 2 . . . . . . . . 5275 1
1632 . 1 1 167 167 GLU CG C 13 34.862 0.000 . 1 . . . . . . . . 5275 1
1633 . 1 1 167 167 GLU HG2 H 1 2.161 0.000 . 2 . . . . . . . . 5275 1
1634 . 1 1 167 167 GLU HG3 H 1 2.297 0.000 . 2 . . . . . . . . 5275 1
1635 . 1 1 167 167 GLU C C 13 176.621 0.000 . 1 . . . . . . . . 5275 1
1636 . 1 1 168 168 GLU N N 15 122.608 0.000 . 1 . . . . . . . . 5275 1
1637 . 1 1 168 168 GLU H H 1 7.806 0.000 . 1 . . . . . . . . 5275 1
1638 . 1 1 168 168 GLU CA C 13 60.058 0.000 . 1 . . . . . . . . 5275 1
1639 . 1 1 168 168 GLU HA H 1 3.619 0.000 . 1 . . . . . . . . 5275 1
1640 . 1 1 168 168 GLU CB C 13 30.228 0.000 . 1 . . . . . . . . 5275 1
1641 . 1 1 168 168 GLU HB2 H 1 2.810 0.000 . 2 . . . . . . . . 5275 1
1642 . 1 1 168 168 GLU HB3 H 1 2.000 0.000 . 2 . . . . . . . . 5275 1
1643 . 1 1 168 168 GLU CG C 13 26.597 0.000 . 1 . . . . . . . . 5275 1
1644 . 1 1 168 168 GLU HG2 H 1 2.302 0.000 . 2 . . . . . . . . 5275 1
1645 . 1 1 168 168 GLU HG3 H 1 2.464 0.000 . 2 . . . . . . . . 5275 1
1646 . 1 1 168 168 GLU C C 13 176.838 0.000 . 1 . . . . . . . . 5275 1
1647 . 1 1 169 169 SER N N 15 113.354 0.000 . 1 . . . . . . . . 5275 1
1648 . 1 1 169 169 SER H H 1 9.006 0.000 . 1 . . . . . . . . 5275 1
1649 . 1 1 169 169 SER CA C 13 61.692 0.000 . 1 . . . . . . . . 5275 1
1650 . 1 1 169 169 SER HA H 1 3.853 0.000 . 1 . . . . . . . . 5275 1
1651 . 1 1 169 169 SER CB C 13 62.019 0.000 . 1 . . . . . . . . 5275 1
1652 . 1 1 169 169 SER HB2 H 1 3.447 0.000 . 1 . . . . . . . . 5275 1
1653 . 1 1 169 169 SER HB3 H 1 3.447 0.000 . 1 . . . . . . . . 5275 1
1654 . 1 1 169 169 SER C C 13 174.752 0.000 . 1 . . . . . . . . 5275 1
1655 . 1 1 170 170 THR N N 15 121.241 0.000 . 1 . . . . . . . . 5275 1
1656 . 1 1 170 170 THR H H 1 7.568 0.000 . 1 . . . . . . . . 5275 1
1657 . 1 1 170 170 THR CA C 13 65.560 0.000 . 1 . . . . . . . . 5275 1
1658 . 1 1 170 170 THR HA H 1 3.678 0.000 . 1 . . . . . . . . 5275 1
1659 . 1 1 170 170 THR CB C 13 67.920 0.000 . 1 . . . . . . . . 5275 1
1660 . 1 1 170 170 THR HB H 1 4.196 0.000 . 1 . . . . . . . . 5275 1
1661 . 1 1 170 170 THR HG21 H 1 0.829 0.000 . 1 . . . . . . . . 5275 1
1662 . 1 1 170 170 THR HG22 H 1 0.829 0.000 . 1 . . . . . . . . 5275 1
1663 . 1 1 170 170 THR HG23 H 1 0.829 0.000 . 1 . . . . . . . . 5275 1
1664 . 1 1 170 170 THR CG2 C 13 21.776 0.000 . 1 . . . . . . . . 5275 1
1665 . 1 1 170 170 THR C C 13 173.679 0.000 . 1 . . . . . . . . 5275 1
1666 . 1 1 171 171 CYS N N 15 121.245 0.000 . 1 . . . . . . . . 5275 1
1667 . 1 1 171 171 CYS H H 1 7.193 0.000 . 1 . . . . . . . . 5275 1
1668 . 1 1 171 171 CYS CA C 13 62.776 0.000 . 1 . . . . . . . . 5275 1
1669 . 1 1 171 171 CYS HA H 1 3.437 0.000 . 1 . . . . . . . . 5275 1
1670 . 1 1 171 171 CYS CB C 13 25.734 0.000 . 1 . . . . . . . . 5275 1
1671 . 1 1 171 171 CYS HB2 H 1 2.095 0.000 . 2 . . . . . . . . 5275 1
1672 . 1 1 171 171 CYS HB3 H 1 2.891 0.000 . 2 . . . . . . . . 5275 1
1673 . 1 1 171 171 CYS C C 13 175.392 0.000 . 1 . . . . . . . . 5275 1
1674 . 1 1 172 172 THR N N 15 115.571 0.000 . 1 . . . . . . . . 5275 1
1675 . 1 1 172 172 THR H H 1 8.837 0.000 . 1 . . . . . . . . 5275 1
1676 . 1 1 172 172 THR CA C 13 65.594 0.000 . 1 . . . . . . . . 5275 1
1677 . 1 1 172 172 THR HA H 1 3.180 0.000 . 1 . . . . . . . . 5275 1
1678 . 1 1 172 172 THR CB C 13 68.738 0.000 . 1 . . . . . . . . 5275 1
1679 . 1 1 172 172 THR HB H 1 4.104 0.000 . 1 . . . . . . . . 5275 1
1680 . 1 1 172 172 THR HG21 H 1 1.144 0.000 . 1 . . . . . . . . 5275 1
1681 . 1 1 172 172 THR HG22 H 1 1.144 0.000 . 1 . . . . . . . . 5275 1
1682 . 1 1 172 172 THR HG23 H 1 1.144 0.000 . 1 . . . . . . . . 5275 1
1683 . 1 1 172 172 THR CG2 C 13 22.467 0.000 . 1 . . . . . . . . 5275 1
1684 . 1 1 172 172 THR C C 13 174.360 0.000 . 1 . . . . . . . . 5275 1
1685 . 1 1 173 173 GLU N N 15 121.498 0.000 . 1 . . . . . . . . 5275 1
1686 . 1 1 173 173 GLU H H 1 7.287 0.000 . 1 . . . . . . . . 5275 1
1687 . 1 1 173 173 GLU CA C 13 59.047 0.000 . 1 . . . . . . . . 5275 1
1688 . 1 1 173 173 GLU HA H 1 4.071 0.000 . 1 . . . . . . . . 5275 1
1689 . 1 1 173 173 GLU CB C 13 28.008 0.000 . 1 . . . . . . . . 5275 1
1690 . 1 1 173 173 GLU HB2 H 1 1.994 0.000 . 2 . . . . . . . . 5275 1
1691 . 1 1 173 173 GLU HB3 H 1 2.133 0.000 . 2 . . . . . . . . 5275 1
1692 . 1 1 173 173 GLU CG C 13 34.173 0.000 . 1 . . . . . . . . 5275 1
1693 . 1 1 173 173 GLU HG2 H 1 2.263 0.000 . 2 . . . . . . . . 5275 1
1694 . 1 1 173 173 GLU HG3 H 1 2.489 0.000 . 2 . . . . . . . . 5275 1
1695 . 1 1 173 173 GLU C C 13 178.810 0.000 . 1 . . . . . . . . 5275 1
1696 . 1 1 174 174 TYR N N 15 120.136 0.000 . 1 . . . . . . . . 5275 1
1697 . 1 1 174 174 TYR H H 1 7.698 0.000 . 1 . . . . . . . . 5275 1
1698 . 1 1 174 174 TYR CA C 13 56.186 0.000 . 1 . . . . . . . . 5275 1
1699 . 1 1 174 174 TYR HA H 1 4.756 0.000 . 1 . . . . . . . . 5275 1
1700 . 1 1 174 174 TYR CB C 13 35.387 0.000 . 1 . . . . . . . . 5275 1
1701 . 1 1 174 174 TYR HB2 H 1 2.628 0.000 . 2 . . . . . . . . 5275 1
1702 . 1 1 174 174 TYR HB3 H 1 2.955 0.000 . 2 . . . . . . . . 5275 1
1703 . 1 1 174 174 TYR HE1 H 1 6.576 0.000 . 1 . . . . . . . . 5275 1
1704 . 1 1 174 174 TYR HE2 H 1 6.576 0.000 . 1 . . . . . . . . 5275 1
1705 . 1 1 174 174 TYR HD1 H 1 6.735 0.000 . 1 . . . . . . . . 5275 1
1706 . 1 1 174 174 TYR HD2 H 1 6.735 0.000 . 1 . . . . . . . . 5275 1
1707 . 1 1 174 174 TYR C C 13 178.936 0.000 . 1 . . . . . . . . 5275 1
1708 . 1 1 175 175 ILE N N 15 120.439 0.000 . 1 . . . . . . . . 5275 1
1709 . 1 1 175 175 ILE H H 1 8.473 0.000 . 1 . . . . . . . . 5275 1
1710 . 1 1 175 175 ILE CA C 13 62.172 0.000 . 1 . . . . . . . . 5275 1
1711 . 1 1 175 175 ILE HA H 1 3.287 0.000 . 1 . . . . . . . . 5275 1
1712 . 1 1 175 175 ILE CB C 13 33.689 0.000 . 1 . . . . . . . . 5275 1
1713 . 1 1 175 175 ILE HB H 1 1.594 0.000 . 1 . . . . . . . . 5275 1
1714 . 1 1 175 175 ILE HG21 H 1 0.428 0.000 . 1 . . . . . . . . 5275 1
1715 . 1 1 175 175 ILE HG22 H 1 0.428 0.000 . 1 . . . . . . . . 5275 1
1716 . 1 1 175 175 ILE HG23 H 1 0.428 0.000 . 1 . . . . . . . . 5275 1
1717 . 1 1 175 175 ILE CG2 C 13 17.644 0.000 . 1 . . . . . . . . 5275 1
1718 . 1 1 175 175 ILE CG1 C 13 24.876 0.000 . 1 . . . . . . . . 5275 1
1719 . 1 1 175 175 ILE HG12 H 1 -0.373 0.000 . 1 . . . . . . . . 5275 1
1720 . 1 1 175 175 ILE HG13 H 1 1.006 0.000 . 1 . . . . . . . . 5275 1
1721 . 1 1 175 175 ILE HD11 H 1 -0.179 0.000 . 1 . . . . . . . . 5275 1
1722 . 1 1 175 175 ILE HD12 H 1 -0.179 0.000 . 1 . . . . . . . . 5275 1
1723 . 1 1 175 175 ILE HD13 H 1 -0.179 0.000 . 1 . . . . . . . . 5275 1
1724 . 1 1 175 175 ILE CD1 C 13 9.036 0.000 . 1 . . . . . . . . 5275 1
1725 . 1 1 175 175 ILE C C 13 178.066 0.000 . 1 . . . . . . . . 5275 1
1726 . 1 1 176 176 ASN N N 15 113.114 0.000 . 1 . . . . . . . . 5275 1
1727 . 1 1 176 176 ASN H H 1 8.124 0.000 . 1 . . . . . . . . 5275 1
1728 . 1 1 176 176 ASN CA C 13 55.852 0.000 . 1 . . . . . . . . 5275 1
1729 . 1 1 176 176 ASN HA H 1 4.560 0.000 . 1 . . . . . . . . 5275 1
1730 . 1 1 176 176 ASN CB C 13 39.883 0.000 . 1 . . . . . . . . 5275 1
1731 . 1 1 176 176 ASN HB2 H 1 2.836 0.000 . 2 . . . . . . . . 5275 1
1732 . 1 1 176 176 ASN HB3 H 1 2.315 0.000 . 2 . . . . . . . . 5275 1
1733 . 1 1 176 176 ASN ND2 N 15 113.082 0.000 . 1 . . . . . . . . 5275 1
1734 . 1 1 176 176 ASN HD21 H 1 6.935 0.000 . 2 . . . . . . . . 5275 1
1735 . 1 1 176 176 ASN HD22 H 1 7.351 0.000 . 2 . . . . . . . . 5275 1
1736 . 1 1 176 176 ASN C C 13 177.083 0.000 . 1 . . . . . . . . 5275 1
1737 . 1 1 177 177 ASN N N 15 113.705 0.000 . 1 . . . . . . . . 5275 1
1738 . 1 1 177 177 ASN H H 1 8.387 0.000 . 1 . . . . . . . . 5275 1
1739 . 1 1 177 177 ASN CA C 13 54.078 0.000 . 1 . . . . . . . . 5275 1
1740 . 1 1 177 177 ASN HA H 1 5.007 0.000 . 1 . . . . . . . . 5275 1
1741 . 1 1 177 177 ASN CB C 13 42.132 0.000 . 1 . . . . . . . . 5275 1
1742 . 1 1 177 177 ASN HB2 H 1 2.921 0.000 . 1 . . . . . . . . 5275 1
1743 . 1 1 177 177 ASN HB3 H 1 2.921 0.000 . 1 . . . . . . . . 5275 1
1744 . 1 1 177 177 ASN ND2 N 15 116.075 0.000 . 1 . . . . . . . . 5275 1
1745 . 1 1 177 177 ASN HD21 H 1 7.019 0.000 . 2 . . . . . . . . 5275 1
1746 . 1 1 177 177 ASN HD22 H 1 7.838 0.000 . 2 . . . . . . . . 5275 1
1747 . 1 1 177 177 ASN C C 13 176.240 0.000 . 1 . . . . . . . . 5275 1
1748 . 1 1 178 178 GLY N N 15 113.349 0.000 . 1 . . . . . . . . 5275 1
1749 . 1 1 178 178 GLY H H 1 9.339 0.000 . 1 . . . . . . . . 5275 1
1750 . 1 1 178 178 GLY CA C 13 44.180 0.000 . 1 . . . . . . . . 5275 1
1751 . 1 1 178 178 GLY HA2 H 1 3.680 0.000 . 2 . . . . . . . . 5275 1
1752 . 1 1 178 178 GLY HA3 H 1 4.616 0.000 . 2 . . . . . . . . 5275 1
1753 . 1 1 178 178 GLY C C 13 172.295 0.000 . 1 . . . . . . . . 5275 1
1754 . 1 1 179 179 LEU N N 15 118.766 0.000 . 1 . . . . . . . . 5275 1
1755 . 1 1 179 179 LEU H H 1 7.928 0.000 . 1 . . . . . . . . 5275 1
1756 . 1 1 179 179 LEU CA C 13 52.793 0.000 . 1 . . . . . . . . 5275 1
1757 . 1 1 179 179 LEU HA H 1 3.716 0.000 . 1 . . . . . . . . 5275 1
1758 . 1 1 179 179 LEU CB C 13 40.165 0.000 . 1 . . . . . . . . 5275 1
1759 . 1 1 179 179 LEU HB2 H 1 1.085 0.000 . 2 . . . . . . . . 5275 1
1760 . 1 1 179 179 LEU HB3 H 1 1.343 0.000 . 2 . . . . . . . . 5275 1
1761 . 1 1 179 179 LEU CG C 13 26.597 0.000 . 1 . . . . . . . . 5275 1
1762 . 1 1 179 179 LEU HG H 1 1.388 0.000 . 1 . . . . . . . . 5275 1
1763 . 1 1 179 179 LEU HD11 H 1 0.548 0.000 . 1 . . . . . . . . 5275 1
1764 . 1 1 179 179 LEU HD12 H 1 0.548 0.000 . 1 . . . . . . . . 5275 1
1765 . 1 1 179 179 LEU HD13 H 1 0.548 0.000 . 1 . . . . . . . . 5275 1
1766 . 1 1 179 179 LEU HD21 H 1 0.028 0.000 . 1 . . . . . . . . 5275 1
1767 . 1 1 179 179 LEU HD22 H 1 0.028 0.000 . 1 . . . . . . . . 5275 1
1768 . 1 1 179 179 LEU HD23 H 1 0.028 0.000 . 1 . . . . . . . . 5275 1
1769 . 1 1 179 179 LEU CD1 C 13 24.876 0.000 . 1 . . . . . . . . 5275 1
1770 . 1 1 179 179 LEU CD2 C 13 22.465 0.000 . 1 . . . . . . . . 5275 1
1771 . 1 1 179 179 LEU C C 13 175.124 0.000 . 1 . . . . . . . . 5275 1
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