data_11040
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11040
_Entry.Title
;
Structural Basis of PxxDY motif recognition in SH3 binding
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2008-04-02
_Entry.Accession_date 2008-04-02
_Entry.Last_release_date 2008-08-28
_Entry.Original_release_date 2008-08-28
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.8.120
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_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 Olli Aitio N. . . 11040
2 Maarit Hellman . . . 11040
3 Tapio Kesti . . . 11040
4 Iivari Kleino . . . 11040
5 Olga Sumoilova . . . 11040
6 Helena Tossavainen . . . 11040
7 Kimmo Paakkonen . . . 11040
8 Kalle Saksela . . . 11040
9 Perttu Permi . . . 11040
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
CD3e . 11040
'Complex Structure' . 11040
EPS8L1 . 11040
NMR . 11040
SH3 . 11040
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 11040
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 225 11040
'15N chemical shifts' 62 11040
'1H chemical shifts' 509 11040
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 . . 2008-08-28 2008-04-02 original author . 11040
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2ROL 'BMRB Entry Tracking System' 11040
stop_
save_
###############
# Citations #
###############
save_citations
_Citation.Sf_category citations
_Citation.Sf_framecode citations
_Citation.Entry_ID 11040
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 18644376
_Citation.Full_citation .
_Citation.Title 'Structural basis of PxxDY motif recognition in SH3 binding'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Mol. Biol.'
_Citation.Journal_name_full 'Journal of Molecular Biology'
_Citation.Journal_volume 382
_Citation.Journal_issue 1
_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 167
_Citation.Page_last 178
_Citation.Year 2008
_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 Olli Aitio . . . 11040 1
2 Maarit Hellman . . . 11040 1
3 Tapio Kesti . . . 11040 1
4 Iivari Kleino . . . 11040 1
5 Olga Samuilova . . . 11040 1
6 Kimmo Paakkonen . . . 11040 1
7 Helena Tossavainen . . . 11040 1
8 Kalle Saksela . . . 11040 1
9 Perttu Permi . . . 11040 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 11040
_Assembly.ID 1
_Assembly.Name Eps8L1SH3
_Assembly.BMRB_code .
_Assembly.Number_of_components 2
_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 .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
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 Eps8L1SH3 1 $Eps8L1SH3 A . yes native yes yes . . . 11040 1
2 'CD3e peptide' 2 $CD3e_peptide B . yes native no no . . . 11040 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_Eps8L1SH3
_Entity.Sf_category entity
_Entity.Sf_framecode Eps8L1SH3
_Entity.Entry_ID 11040
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name Eps8L1SH3
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GSMGTAGKWVLCNYDFQARN
SSELSVKQRDVLEVLDDSRK
WWKVRDPAGQEGYVPYNILT
PYPG
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 64
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 7301.219
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-26
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 2ROL . "Structural Basis Of Pxxdy Motif Recognition In Sh3 Binding" . . . . . 100.00 64 100.00 100.00 6.24e-39 . . . . 11040 1
2 no DBJ BAA91041 . "unnamed protein product [Homo sapiens]" . . . . . 93.75 596 100.00 100.00 4.84e-34 . . . . 11040 1
3 no DBJ BAC11399 . "unnamed protein product [Homo sapiens]" . . . . . 93.75 723 100.00 100.00 1.09e-33 . . . . 11040 1
4 no DBJ BAG51855 . "unnamed protein product [Homo sapiens]" . . . . . 93.75 401 100.00 100.00 5.03e-34 . . . . 11040 1
5 no DBJ BAG59319 . "unnamed protein product [Homo sapiens]" . . . . . 93.75 659 100.00 100.00 7.34e-34 . . . . 11040 1
6 no DBJ BAG63100 . "unnamed protein product [Homo sapiens]" . . . . . 93.75 409 100.00 100.00 6.39e-34 . . . . 11040 1
7 no GB AAG03038 . "DRC3 [Homo sapiens]" . . . . . 93.75 437 100.00 100.00 9.80e-34 . . . . 11040 1
8 no GB AAG03039 . "DRC3 [Homo sapiens]" . . . . . 93.75 437 100.00 100.00 9.80e-34 . . . . 11040 1
9 no GB AAH15763 . "EPS8-like 1 [Homo sapiens]" . . . . . 93.75 596 100.00 100.00 4.55e-34 . . . . 11040 1
10 no GB AAL76117 . "epidermal growth factor receptor pathway substrate 8 related protein 1 [Homo sapiens]" . . . . . 93.75 723 100.00 100.00 1.04e-33 . . . . 11040 1
11 no GB AAQ15231 . "PP10566 [Homo sapiens]" . . . . . 93.75 723 100.00 100.00 1.08e-33 . . . . 11040 1
12 no REF NP_060199 . "epidermal growth factor receptor kinase substrate 8-like protein 1 isoform b [Homo sapiens]" . . . . . 93.75 596 100.00 100.00 4.55e-34 . . . . 11040 1
13 no REF NP_573441 . "epidermal growth factor receptor kinase substrate 8-like protein 1 isoform a [Homo sapiens]" . . . . . 93.75 723 100.00 100.00 1.05e-33 . . . . 11040 1
14 no REF XP_003809943 . "PREDICTED: epidermal growth factor receptor kinase substrate 8-like protein 1 isoform X6 [Pan paniscus]" . . . . . 93.75 723 98.33 100.00 2.95e-33 . . . . 11040 1
15 no REF XP_003809945 . "PREDICTED: epidermal growth factor receptor kinase substrate 8-like protein 1 isoform X10 [Pan paniscus]" . . . . . 93.75 596 98.33 100.00 1.34e-33 . . . . 11040 1
16 no REF XP_003953676 . "PREDICTED: epidermal growth factor receptor kinase substrate 8-like protein 1 isoform X1 [Pan troglodytes]" . . . . . 93.75 681 98.33 100.00 2.83e-33 . . . . 11040 1
17 no SP Q8TE68 . "RecName: Full=Epidermal growth factor receptor kinase substrate 8-like protein 1; Short=EPS8-like protein 1; AltName: Full=Epid" . . . . . 93.75 723 100.00 100.00 1.05e-33 . . . . 11040 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 0 GLY . 11040 1
2 1 SER . 11040 1
3 2 MET . 11040 1
4 3 GLY . 11040 1
5 4 THR . 11040 1
6 5 ALA . 11040 1
7 6 GLY . 11040 1
8 7 LYS . 11040 1
9 8 TRP . 11040 1
10 9 VAL . 11040 1
11 10 LEU . 11040 1
12 11 CYS . 11040 1
13 12 ASN . 11040 1
14 13 TYR . 11040 1
15 14 ASP . 11040 1
16 15 PHE . 11040 1
17 16 GLN . 11040 1
18 17 ALA . 11040 1
19 18 ARG . 11040 1
20 19 ASN . 11040 1
21 20 SER . 11040 1
22 21 SER . 11040 1
23 22 GLU . 11040 1
24 23 LEU . 11040 1
25 24 SER . 11040 1
26 25 VAL . 11040 1
27 26 LYS . 11040 1
28 27 GLN . 11040 1
29 28 ARG . 11040 1
30 29 ASP . 11040 1
31 30 VAL . 11040 1
32 31 LEU . 11040 1
33 32 GLU . 11040 1
34 33 VAL . 11040 1
35 34 LEU . 11040 1
36 35 ASP . 11040 1
37 36 ASP . 11040 1
38 37 SER . 11040 1
39 38 ARG . 11040 1
40 39 LYS . 11040 1
41 40 TRP . 11040 1
42 41 TRP . 11040 1
43 42 LYS . 11040 1
44 43 VAL . 11040 1
45 44 ARG . 11040 1
46 45 ASP . 11040 1
47 46 PRO . 11040 1
48 47 ALA . 11040 1
49 48 GLY . 11040 1
50 49 GLN . 11040 1
51 50 GLU . 11040 1
52 51 GLY . 11040 1
53 52 TYR . 11040 1
54 53 VAL . 11040 1
55 54 PRO . 11040 1
56 55 TYR . 11040 1
57 56 ASN . 11040 1
58 57 ILE . 11040 1
59 58 LEU . 11040 1
60 59 THR . 11040 1
61 60 PRO . 11040 1
62 61 TYR . 11040 1
63 62 PRO . 11040 1
64 63 GLY . 11040 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
. GLY 1 1 11040 1
. SER 2 2 11040 1
. MET 3 3 11040 1
. GLY 4 4 11040 1
. THR 5 5 11040 1
. ALA 6 6 11040 1
. GLY 7 7 11040 1
. LYS 8 8 11040 1
. TRP 9 9 11040 1
. VAL 10 10 11040 1
. LEU 11 11 11040 1
. CYS 12 12 11040 1
. ASN 13 13 11040 1
. TYR 14 14 11040 1
. ASP 15 15 11040 1
. PHE 16 16 11040 1
. GLN 17 17 11040 1
. ALA 18 18 11040 1
. ARG 19 19 11040 1
. ASN 20 20 11040 1
. SER 21 21 11040 1
. SER 22 22 11040 1
. GLU 23 23 11040 1
. LEU 24 24 11040 1
. SER 25 25 11040 1
. VAL 26 26 11040 1
. LYS 27 27 11040 1
. GLN 28 28 11040 1
. ARG 29 29 11040 1
. ASP 30 30 11040 1
. VAL 31 31 11040 1
. LEU 32 32 11040 1
. GLU 33 33 11040 1
. VAL 34 34 11040 1
. LEU 35 35 11040 1
. ASP 36 36 11040 1
. ASP 37 37 11040 1
. SER 38 38 11040 1
. ARG 39 39 11040 1
. LYS 40 40 11040 1
. TRP 41 41 11040 1
. TRP 42 42 11040 1
. LYS 43 43 11040 1
. VAL 44 44 11040 1
. ARG 45 45 11040 1
. ASP 46 46 11040 1
. PRO 47 47 11040 1
. ALA 48 48 11040 1
. GLY 49 49 11040 1
. GLN 50 50 11040 1
. GLU 51 51 11040 1
. GLY 52 52 11040 1
. TYR 53 53 11040 1
. VAL 54 54 11040 1
. PRO 55 55 11040 1
. TYR 56 56 11040 1
. ASN 57 57 11040 1
. ILE 58 58 11040 1
. LEU 59 59 11040 1
. THR 60 60 11040 1
. PRO 61 61 11040 1
. TYR 62 62 11040 1
. PRO 63 63 11040 1
. GLY 64 64 11040 1
stop_
save_
save_CD3e_peptide
_Entity.Sf_category entity
_Entity.Sf_framecode CD3e_peptide
_Entity.Entry_ID 11040
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name 'CD3e peptide'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID B
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code PPVPNPDYEPIR
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 12
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 1394.566
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
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
1 201 PRO . 11040 2
2 202 PRO . 11040 2
3 203 VAL . 11040 2
4 204 PRO . 11040 2
5 205 ASN . 11040 2
6 206 PRO . 11040 2
7 207 ASP . 11040 2
8 208 TYR . 11040 2
9 209 GLU . 11040 2
10 210 PRO . 11040 2
11 211 ILE . 11040 2
12 212 ARG . 11040 2
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
. PRO 1 1 11040 2
. PRO 2 2 11040 2
. VAL 3 3 11040 2
. PRO 4 4 11040 2
. ASN 5 5 11040 2
. PRO 6 6 11040 2
. ASP 7 7 11040 2
. TYR 8 8 11040 2
. GLU 9 9 11040 2
. PRO 10 10 11040 2
. ILE 11 11 11040 2
. ARG 12 12 11040 2
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 11040
_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 $Eps8L1SH3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11040 1
2 2 $CD3e_peptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11040 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 11040
_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 $Eps8L1SH3 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 11040 1
2 2 $CD3e_peptide . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11040 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 11040
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_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 Eps8L1SH3 '[U-98% 13C; U-98% 15N]' . . 1 $Eps8L1SH3 . . 0.8 . . mM . . . . 11040 1
2 'CD3e peptide' 'natural abundance' . . 2 $CD3e_peptide . . 2.4 . . mM . . . . 11040 1
3 Tris-HCl 'natural abundance' . . . . . . 10 . . mM . . . . 11040 1
4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 11040 1
5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 11040 1
6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 11040 1
7 D2O . . . . . . . 10 . . % . . . . 11040 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 11040
_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 7.5 . pH 11040 1
pressure 1 . atm 11040 1
temperature 298 . K 11040 1
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 11040
_Software.ID 1
_Software.Name CYANA
_Software.Version 2.0
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'P.GUNTERT ET AL.' . . 11040 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 11040 1
stop_
save_
save_AMBER
_Software.Sf_category software
_Software.Sf_framecode AMBER
_Software.Entry_ID 11040
_Software.ID 2
_Software.Name AMBER
_Software.Version 8.0
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 11040 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 11040 2
stop_
save_
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 11040
_Software.ID 3
_Software.Name SPARKY
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 11040 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 11040 3
'data analysis' 11040 3
'peak picking' 11040 3
stop_
save_
save_VNMR
_Software.Sf_category software
_Software.Sf_framecode VNMR
_Software.Entry_ID 11040
_Software.ID 4
_Software.Name VNMR
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Varian . . 11040 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 11040 4
processing 11040 4
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 11040
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 11040
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 11040
_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 spectrometer_1 Varian INOVA . 800 . . . 11040 1
2 spectrometer_2 Varian INOVA . 600 . . . 11040 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 11040
_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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11040 1
2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11040 1
3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11040 1
4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11040 1
5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11040 1
6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11040 1
7 '3D iHNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11040 1
8 '3D iHNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11040 1
9 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11040 1
10 '3D CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11040 1
11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11040 1
12 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11040 1
13 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11040 1
14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11040 1
15 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11040 1
16 '3D 13C,15N-filteded/15N-edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11040 1
17 '3D 13C,15N-filtered/13C-edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11040 1
18 '2D 13C/15N -filtered TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11040 1
19 '2D 13C/15N -filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11040 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 11040
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details
;
We have used the water signal to locate the midpoint of the 1H axis, and then
have given it a reference value where the temperature and the pH have been
taken into account. In this case the value is 4.793 ppm.
For the 13C axis, we then calculated the position of the transmitter using the
DSS indirect shift ratio and ended up with this value of 175.571 ppm, in the
carbonyl carbon region of the protein 13C spectrum. The midpoint of the
aliphatic 13C spectrum is at 118 or 128 ppms from this value, depending on the
spectrum.
For the 15N axis, we calculated the midpoint of the 15N spectrum from the 1H
midpoint using the indirect shift ratio of liquid ammonia, 0.101329118.
;
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
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11040 1
H 1 water protons . . . . ppm 4.793 internal direct 1 . . . . . . . . . 11040 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11040 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 11040
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11040 1
2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 11040 1
3 '3D HNCA' 1 $sample_1 isotropic 11040 1
4 '3D HN(CO)CA' 1 $sample_1 isotropic 11040 1
5 '3D HNCACB' 1 $sample_1 isotropic 11040 1
6 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11040 1
7 '3D iHNCACB' 1 $sample_1 isotropic 11040 1
8 '3D iHNCA' 1 $sample_1 isotropic 11040 1
9 '3D HCCH-COSY' 1 $sample_1 isotropic 11040 1
10 '3D CC(CO)NH' 1 $sample_1 isotropic 11040 1
11 '3D H(CCO)NH' 1 $sample_1 isotropic 11040 1
12 '2D (HB)CB(CGCD)HD' 1 $sample_1 isotropic 11040 1
13 '2D (HB)CB(CGCDCE)HE' 1 $sample_1 isotropic 11040 1
14 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11040 1
15 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11040 1
18 '2D 13C/15N -filtered TOCSY' 1 $sample_1 isotropic 11040 1
19 '2D 13C/15N -filtered NOESY' 1 $sample_1 isotropic 11040 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 2 2 SER CA C 13 58.546 0.400 . 1 . . . . 1 SER CA . 11040 1
2 . 1 1 2 2 SER HA H 1 4.542 0.020 . 1 . . . . 1 SER HA . 11040 1
3 . 1 1 2 2 SER CB C 13 64.107 0.400 . 1 . . . . 1 SER CB . 11040 1
4 . 1 1 2 2 SER HB2 H 1 3.900 0.020 . 2 . . . . 1 SER HB2 . 11040 1
5 . 1 1 2 2 SER HB3 H 1 3.900 0.020 . 2 . . . . 1 SER HB3 . 11040 1
6 . 1 1 3 3 MET CA C 13 55.857 0.400 . 1 . . . . 2 MET CA . 11040 1
7 . 1 1 3 3 MET HA H 1 4.474 0.020 . 1 . . . . 2 MET HA . 11040 1
8 . 1 1 3 3 MET CB C 13 32.780 0.400 . 1 . . . . 2 MET CB . 11040 1
9 . 1 1 3 3 MET HB2 H 1 2.073 0.020 . 2 . . . . 2 MET HB2 . 11040 1
10 . 1 1 3 3 MET HB3 H 1 1.981 0.020 . 2 . . . . 2 MET HB3 . 11040 1
11 . 1 1 3 3 MET CG C 13 32.130 0.400 . 1 . . . . 2 MET CG . 11040 1
12 . 1 1 3 3 MET HG2 H 1 2.550 0.020 . 2 . . . . 2 MET HG2 . 11040 1
13 . 1 1 3 3 MET HG3 H 1 2.483 0.020 . 2 . . . . 2 MET HG3 . 11040 1
14 . 1 1 3 3 MET HE1 H 1 2.052 0.020 . 1 . . . . 2 MET HE . 11040 1
15 . 1 1 3 3 MET HE2 H 1 2.052 0.020 . 1 . . . . 2 MET HE . 11040 1
16 . 1 1 3 3 MET HE3 H 1 2.052 0.020 . 1 . . . . 2 MET HE . 11040 1
17 . 1 1 3 3 MET CE C 13 16.986 0.400 . 1 . . . . 2 MET CE . 11040 1
18 . 1 1 4 4 GLY N N 15 110.060 0.400 . 1 . . . . 3 GLY N . 11040 1
19 . 1 1 4 4 GLY H H 1 8.362 0.020 . 1 . . . . 3 GLY H . 11040 1
20 . 1 1 4 4 GLY CA C 13 45.594 0.400 . 1 . . . . 3 GLY CA . 11040 1
21 . 1 1 4 4 GLY HA2 H 1 4.070 0.020 . 2 . . . . 3 GLY HA2 . 11040 1
22 . 1 1 4 4 GLY HA3 H 1 4.026 0.020 . 2 . . . . 3 GLY HA3 . 11040 1
23 . 1 1 5 5 THR CA C 13 61.971 0.400 . 1 . . . . 4 THR CA . 11040 1
24 . 1 1 5 5 THR HA H 1 4.419 0.020 . 1 . . . . 4 THR HA . 11040 1
25 . 1 1 5 5 THR CB C 13 70.020 0.400 . 1 . . . . 4 THR CB . 11040 1
26 . 1 1 5 5 THR HB H 1 4.303 0.020 . 1 . . . . 4 THR HB . 11040 1
27 . 1 1 5 5 THR HG21 H 1 1.241 0.020 . 1 . . . . 4 THR HG2 . 11040 1
28 . 1 1 5 5 THR HG22 H 1 1.241 0.020 . 1 . . . . 4 THR HG2 . 11040 1
29 . 1 1 5 5 THR HG23 H 1 1.241 0.020 . 1 . . . . 4 THR HG2 . 11040 1
30 . 1 1 5 5 THR CG2 C 13 21.703 0.400 . 1 . . . . 4 THR CG2 . 11040 1
31 . 1 1 6 6 ALA N N 15 126.090 0.400 . 1 . . . . 5 ALA N . 11040 1
32 . 1 1 6 6 ALA H H 1 8.419 0.020 . 1 . . . . 5 ALA H . 11040 1
33 . 1 1 6 6 ALA CA C 13 52.768 0.400 . 1 . . . . 5 ALA CA . 11040 1
34 . 1 1 6 6 ALA HA H 1 4.496 0.020 . 1 . . . . 5 ALA HA . 11040 1
35 . 1 1 6 6 ALA HB1 H 1 1.477 0.020 . 1 . . . . 5 ALA HB . 11040 1
36 . 1 1 6 6 ALA HB2 H 1 1.477 0.020 . 1 . . . . 5 ALA HB . 11040 1
37 . 1 1 6 6 ALA HB3 H 1 1.477 0.020 . 1 . . . . 5 ALA HB . 11040 1
38 . 1 1 6 6 ALA CB C 13 19.761 0.400 . 1 . . . . 5 ALA CB . 11040 1
39 . 1 1 7 7 GLY N N 15 108.453 0.400 . 1 . . . . 6 GLY N . 11040 1
40 . 1 1 7 7 GLY H H 1 8.372 0.020 . 1 . . . . 6 GLY H . 11040 1
41 . 1 1 7 7 GLY CA C 13 45.095 0.400 . 1 . . . . 6 GLY CA . 11040 1
42 . 1 1 7 7 GLY HA2 H 1 3.935 0.020 . 2 . . . . 6 GLY HA2 . 11040 1
43 . 1 1 7 7 GLY HA3 H 1 3.935 0.020 . 2 . . . . 6 GLY HA3 . 11040 1
44 . 1 1 8 8 LYS N N 15 121.166 0.400 . 1 . . . . 7 LYS N . 11040 1
45 . 1 1 8 8 LYS H H 1 8.107 0.020 . 1 . . . . 7 LYS H . 11040 1
46 . 1 1 8 8 LYS CA C 13 56.151 0.400 . 1 . . . . 7 LYS CA . 11040 1
47 . 1 1 8 8 LYS HA H 1 4.574 0.020 . 1 . . . . 7 LYS HA . 11040 1
48 . 1 1 8 8 LYS CB C 13 34.556 0.400 . 1 . . . . 7 LYS CB . 11040 1
49 . 1 1 8 8 LYS HB2 H 1 1.721 0.020 . 2 . . . . 7 LYS HB2 . 11040 1
50 . 1 1 8 8 LYS HB3 H 1 1.650 0.020 . 2 . . . . 7 LYS HB3 . 11040 1
51 . 1 1 8 8 LYS CG C 13 25.112 0.400 . 1 . . . . 7 LYS CG . 11040 1
52 . 1 1 8 8 LYS HG2 H 1 1.373 0.020 . 2 . . . . 7 LYS HG2 . 11040 1
53 . 1 1 8 8 LYS HG3 H 1 1.207 0.020 . 2 . . . . 7 LYS HG3 . 11040 1
54 . 1 1 8 8 LYS CD C 13 29.477 0.400 . 1 . . . . 7 LYS CD . 11040 1
55 . 1 1 8 8 LYS HD2 H 1 1.531 0.020 . 2 . . . . 7 LYS HD2 . 11040 1
56 . 1 1 8 8 LYS HD3 H 1 1.531 0.020 . 2 . . . . 7 LYS HD3 . 11040 1
57 . 1 1 8 8 LYS CE C 13 42.073 0.400 . 1 . . . . 7 LYS CE . 11040 1
58 . 1 1 8 8 LYS HE2 H 1 2.851 0.020 . 2 . . . . 7 LYS HE2 . 11040 1
59 . 1 1 8 8 LYS HE3 H 1 2.851 0.020 . 2 . . . . 7 LYS HE3 . 11040 1
60 . 1 1 9 9 TRP N N 15 122.847 0.400 . 1 . . . . 8 TRP N . 11040 1
61 . 1 1 9 9 TRP H H 1 8.694 0.020 . 1 . . . . 8 TRP H . 11040 1
62 . 1 1 9 9 TRP CA C 13 56.267 0.400 . 1 . . . . 8 TRP CA . 11040 1
63 . 1 1 9 9 TRP HA H 1 5.688 0.020 . 1 . . . . 8 TRP HA . 11040 1
64 . 1 1 9 9 TRP CB C 13 32.532 0.400 . 1 . . . . 8 TRP CB . 11040 1
65 . 1 1 9 9 TRP HB2 H 1 3.470 0.020 . 2 . . . . 8 TRP HB2 . 11040 1
66 . 1 1 9 9 TRP HB3 H 1 3.246 0.020 . 2 . . . . 8 TRP HB3 . 11040 1
67 . 1 1 9 9 TRP CD1 C 13 127.562 0.400 . 1 . . . . 8 TRP CD1 . 11040 1
68 . 1 1 9 9 TRP CE3 C 13 120.808 0.400 . 1 . . . . 8 TRP CE3 . 11040 1
69 . 1 1 9 9 TRP NE1 N 15 128.956 0.400 . 1 . . . . 8 TRP NE1 . 11040 1
70 . 1 1 9 9 TRP HD1 H 1 7.235 0.020 . 1 . . . . 8 TRP HD1 . 11040 1
71 . 1 1 9 9 TRP HE3 H 1 7.507 0.020 . 1 . . . . 8 TRP HE3 . 11040 1
72 . 1 1 9 9 TRP CZ3 C 13 122.415 0.400 . 1 . . . . 8 TRP CZ3 . 11040 1
73 . 1 1 9 9 TRP CZ2 C 13 114.622 0.400 . 1 . . . . 8 TRP CZ2 . 11040 1
74 . 1 1 9 9 TRP HE1 H 1 10.123 0.020 . 1 . . . . 8 TRP HE1 . 11040 1
75 . 1 1 9 9 TRP HZ3 H 1 7.160 0.020 . 1 . . . . 8 TRP HZ3 . 11040 1
76 . 1 1 9 9 TRP CH2 C 13 124.789 0.400 . 1 . . . . 8 TRP CH2 . 11040 1
77 . 1 1 9 9 TRP HZ2 H 1 7.453 0.020 . 1 . . . . 8 TRP HZ2 . 11040 1
78 . 1 1 9 9 TRP HH2 H 1 7.200 0.020 . 1 . . . . 8 TRP HH2 . 11040 1
79 . 1 1 10 10 VAL N N 15 114.286 0.400 . 1 . . . . 9 VAL N . 11040 1
80 . 1 1 10 10 VAL H H 1 9.459 0.020 . 1 . . . . 9 VAL H . 11040 1
81 . 1 1 10 10 VAL CA C 13 59.001 0.400 . 1 . . . . 9 VAL CA . 11040 1
82 . 1 1 10 10 VAL HA H 1 5.316 0.020 . 1 . . . . 9 VAL HA . 11040 1
83 . 1 1 10 10 VAL CB C 13 36.558 0.400 . 1 . . . . 9 VAL CB . 11040 1
84 . 1 1 10 10 VAL HB H 1 2.278 0.020 . 1 . . . . 9 VAL HB . 11040 1
85 . 1 1 10 10 VAL HG11 H 1 1.047 0.020 . 2 . . . . 9 VAL HG1 . 11040 1
86 . 1 1 10 10 VAL HG12 H 1 1.047 0.020 . 2 . . . . 9 VAL HG1 . 11040 1
87 . 1 1 10 10 VAL HG13 H 1 1.047 0.020 . 2 . . . . 9 VAL HG1 . 11040 1
88 . 1 1 10 10 VAL HG21 H 1 0.950 0.020 . 2 . . . . 9 VAL HG2 . 11040 1
89 . 1 1 10 10 VAL HG22 H 1 0.950 0.020 . 2 . . . . 9 VAL HG2 . 11040 1
90 . 1 1 10 10 VAL HG23 H 1 0.950 0.020 . 2 . . . . 9 VAL HG2 . 11040 1
91 . 1 1 10 10 VAL CG1 C 13 23.116 0.400 . 1 . . . . 9 VAL CG1 . 11040 1
92 . 1 1 10 10 VAL CG2 C 13 19.985 0.400 . 1 . . . . 9 VAL CG2 . 11040 1
93 . 1 1 11 11 LEU N N 15 122.506 0.400 . 1 . . . . 10 LEU N . 11040 1
94 . 1 1 11 11 LEU H H 1 9.423 0.020 . 1 . . . . 10 LEU H . 11040 1
95 . 1 1 11 11 LEU CA C 13 52.970 0.400 . 1 . . . . 10 LEU CA . 11040 1
96 . 1 1 11 11 LEU HA H 1 5.005 0.020 . 1 . . . . 10 LEU HA . 11040 1
97 . 1 1 11 11 LEU CB C 13 45.910 0.400 . 1 . . . . 10 LEU CB . 11040 1
98 . 1 1 11 11 LEU HB2 H 1 1.753 0.020 . 2 . . . . 10 LEU HB2 . 11040 1
99 . 1 1 11 11 LEU HB3 H 1 1.385 0.020 . 2 . . . . 10 LEU HB3 . 11040 1
100 . 1 1 11 11 LEU CG C 13 27.210 0.400 . 1 . . . . 10 LEU CG . 11040 1
101 . 1 1 11 11 LEU HG H 1 1.382 0.020 . 1 . . . . 10 LEU HG . 11040 1
102 . 1 1 11 11 LEU HD11 H 1 0.797 0.020 . 2 . . . . 10 LEU HD1 . 11040 1
103 . 1 1 11 11 LEU HD12 H 1 0.797 0.020 . 2 . . . . 10 LEU HD1 . 11040 1
104 . 1 1 11 11 LEU HD13 H 1 0.797 0.020 . 2 . . . . 10 LEU HD1 . 11040 1
105 . 1 1 11 11 LEU HD21 H 1 0.847 0.020 . 2 . . . . 10 LEU HD2 . 11040 1
106 . 1 1 11 11 LEU HD22 H 1 0.847 0.020 . 2 . . . . 10 LEU HD2 . 11040 1
107 . 1 1 11 11 LEU HD23 H 1 0.847 0.020 . 2 . . . . 10 LEU HD2 . 11040 1
108 . 1 1 11 11 LEU CD1 C 13 25.292 0.400 . 1 . . . . 10 LEU CD1 . 11040 1
109 . 1 1 11 11 LEU CD2 C 13 26.186 0.400 . 1 . . . . 10 LEU CD2 . 11040 1
110 . 1 1 12 12 CYS N N 15 122.846 0.400 . 1 . . . . 11 CYS N . 11040 1
111 . 1 1 12 12 CYS H H 1 8.802 0.020 . 1 . . . . 11 CYS H . 11040 1
112 . 1 1 12 12 CYS CA C 13 58.836 0.400 . 1 . . . . 11 CYS CA . 11040 1
113 . 1 1 12 12 CYS HA H 1 4.720 0.020 . 1 . . . . 11 CYS HA . 11040 1
114 . 1 1 12 12 CYS CB C 13 27.135 0.400 . 1 . . . . 11 CYS CB . 11040 1
115 . 1 1 12 12 CYS HB2 H 1 3.004 0.020 . 2 . . . . 11 CYS HB2 . 11040 1
116 . 1 1 12 12 CYS HB3 H 1 2.721 0.020 . 2 . . . . 11 CYS HB3 . 11040 1
117 . 1 1 13 13 ASN N N 15 127.069 0.400 . 1 . . . . 12 ASN N . 11040 1
118 . 1 1 13 13 ASN H H 1 9.505 0.020 . 1 . . . . 12 ASN H . 11040 1
119 . 1 1 13 13 ASN CA C 13 54.084 0.400 . 1 . . . . 12 ASN CA . 11040 1
120 . 1 1 13 13 ASN HA H 1 4.792 0.020 . 1 . . . . 12 ASN HA . 11040 1
121 . 1 1 13 13 ASN CB C 13 40.857 0.400 . 1 . . . . 12 ASN CB . 11040 1
122 . 1 1 13 13 ASN HB2 H 1 2.481 0.020 . 2 . . . . 12 ASN HB2 . 11040 1
123 . 1 1 13 13 ASN HB3 H 1 2.365 0.020 . 2 . . . . 12 ASN HB3 . 11040 1
124 . 1 1 13 13 ASN ND2 N 15 113.030 0.400 . 1 . . . . 12 ASN ND2 . 11040 1
125 . 1 1 13 13 ASN HD21 H 1 7.083 0.020 . 2 . . . . 12 ASN HD21 . 11040 1
126 . 1 1 13 13 ASN HD22 H 1 6.883 0.020 . 2 . . . . 12 ASN HD22 . 11040 1
127 . 1 1 14 14 TYR N N 15 116.320 0.400 . 1 . . . . 13 TYR N . 11040 1
128 . 1 1 14 14 TYR H H 1 7.583 0.020 . 1 . . . . 13 TYR H . 11040 1
129 . 1 1 14 14 TYR CA C 13 56.904 0.400 . 1 . . . . 13 TYR CA . 11040 1
130 . 1 1 14 14 TYR HA H 1 4.642 0.020 . 1 . . . . 13 TYR HA . 11040 1
131 . 1 1 14 14 TYR CB C 13 42.933 0.400 . 1 . . . . 13 TYR CB . 11040 1
132 . 1 1 14 14 TYR HB2 H 1 3.230 0.020 . 2 . . . . 13 TYR HB2 . 11040 1
133 . 1 1 14 14 TYR HB3 H 1 2.421 0.020 . 2 . . . . 13 TYR HB3 . 11040 1
134 . 1 1 14 14 TYR CD1 C 13 133.573 0.400 . 1 . . . . 13 TYR CD1 . 11040 1
135 . 1 1 14 14 TYR HD1 H 1 7.107 0.020 . 1 . . . . 13 TYR HD1 . 11040 1
136 . 1 1 14 14 TYR CE1 C 13 118.489 0.400 . 1 . . . . 13 TYR CE1 . 11040 1
137 . 1 1 14 14 TYR HE1 H 1 6.881 0.020 . 1 . . . . 13 TYR HE1 . 11040 1
138 . 1 1 14 14 TYR CE2 C 13 118.489 0.400 . 1 . . . . 13 TYR CE2 . 11040 1
139 . 1 1 14 14 TYR HE2 H 1 6.881 0.020 . 1 . . . . 13 TYR HE2 . 11040 1
140 . 1 1 14 14 TYR CD2 C 13 133.573 0.400 . 1 . . . . 13 TYR CD2 . 11040 1
141 . 1 1 14 14 TYR HD2 H 1 7.107 0.020 . 1 . . . . 13 TYR HD2 . 11040 1
142 . 1 1 15 15 ASP N N 15 118.718 0.400 . 1 . . . . 14 ASP N . 11040 1
143 . 1 1 15 15 ASP H H 1 8.410 0.020 . 1 . . . . 14 ASP H . 11040 1
144 . 1 1 15 15 ASP CA C 13 54.823 0.400 . 1 . . . . 14 ASP CA . 11040 1
145 . 1 1 15 15 ASP HA H 1 4.759 0.020 . 1 . . . . 14 ASP HA . 11040 1
146 . 1 1 15 15 ASP CB C 13 41.718 0.400 . 1 . . . . 14 ASP CB . 11040 1
147 . 1 1 15 15 ASP HB2 H 1 2.759 0.020 . 2 . . . . 14 ASP HB2 . 11040 1
148 . 1 1 15 15 ASP HB3 H 1 2.622 0.020 . 2 . . . . 14 ASP HB3 . 11040 1
149 . 1 1 16 16 PHE N N 15 122.524 0.400 . 1 . . . . 15 PHE N . 11040 1
150 . 1 1 16 16 PHE H H 1 8.732 0.020 . 1 . . . . 15 PHE H . 11040 1
151 . 1 1 16 16 PHE CA C 13 58.663 0.400 . 1 . . . . 15 PHE CA . 11040 1
152 . 1 1 16 16 PHE HA H 1 4.683 0.020 . 1 . . . . 15 PHE HA . 11040 1
153 . 1 1 16 16 PHE CB C 13 43.023 0.400 . 1 . . . . 15 PHE CB . 11040 1
154 . 1 1 16 16 PHE HB2 H 1 3.052 0.020 . 2 . . . . 15 PHE HB2 . 11040 1
155 . 1 1 16 16 PHE HB3 H 1 2.805 0.020 . 2 . . . . 15 PHE HB3 . 11040 1
156 . 1 1 16 16 PHE CD1 C 13 132.677 0.400 . 1 . . . . 15 PHE CD1 . 11040 1
157 . 1 1 16 16 PHE HD1 H 1 7.581 0.020 . 1 . . . . 15 PHE HD1 . 11040 1
158 . 1 1 16 16 PHE CE1 C 13 131.328 0.400 . 1 . . . . 15 PHE CE1 . 11040 1
159 . 1 1 16 16 PHE HE1 H 1 7.519 0.020 . 1 . . . . 15 PHE HE1 . 11040 1
160 . 1 1 16 16 PHE CZ C 13 131.391 0.400 . 1 . . . . 15 PHE CZ . 11040 1
161 . 1 1 16 16 PHE HZ H 1 7.936 0.020 . 1 . . . . 15 PHE HZ . 11040 1
162 . 1 1 16 16 PHE CE2 C 13 131.328 0.400 . 1 . . . . 15 PHE CE2 . 11040 1
163 . 1 1 16 16 PHE HE2 H 1 7.519 0.020 . 1 . . . . 15 PHE HE2 . 11040 1
164 . 1 1 16 16 PHE CD2 C 13 132.677 0.400 . 1 . . . . 15 PHE CD2 . 11040 1
165 . 1 1 16 16 PHE HD2 H 1 7.581 0.020 . 1 . . . . 15 PHE HD2 . 11040 1
166 . 1 1 17 17 GLN N N 15 127.322 0.400 . 1 . . . . 16 GLN N . 11040 1
167 . 1 1 17 17 GLN H H 1 7.453 0.020 . 1 . . . . 16 GLN H . 11040 1
168 . 1 1 17 17 GLN CA C 13 53.341 0.400 . 1 . . . . 16 GLN CA . 11040 1
169 . 1 1 17 17 GLN HA H 1 4.481 0.020 . 1 . . . . 16 GLN HA . 11040 1
170 . 1 1 17 17 GLN CB C 13 29.788 0.400 . 1 . . . . 16 GLN CB . 11040 1
171 . 1 1 17 17 GLN HB2 H 1 1.782 0.020 . 2 . . . . 16 GLN HB2 . 11040 1
172 . 1 1 17 17 GLN HB3 H 1 1.782 0.020 . 2 . . . . 16 GLN HB3 . 11040 1
173 . 1 1 17 17 GLN CG C 13 33.666 0.400 . 1 . . . . 16 GLN CG . 11040 1
174 . 1 1 17 17 GLN HG2 H 1 2.249 0.020 . 2 . . . . 16 GLN HG2 . 11040 1
175 . 1 1 17 17 GLN HG3 H 1 2.249 0.020 . 2 . . . . 16 GLN HG3 . 11040 1
176 . 1 1 18 18 ALA N N 15 127.216 0.400 . 1 . . . . 17 ALA N . 11040 1
177 . 1 1 18 18 ALA H H 1 8.568 0.020 . 1 . . . . 17 ALA H . 11040 1
178 . 1 1 18 18 ALA CA C 13 53.108 0.400 . 1 . . . . 17 ALA CA . 11040 1
179 . 1 1 18 18 ALA HA H 1 4.199 0.020 . 1 . . . . 17 ALA HA . 11040 1
180 . 1 1 18 18 ALA HB1 H 1 1.457 0.020 . 1 . . . . 17 ALA HB . 11040 1
181 . 1 1 18 18 ALA HB2 H 1 1.457 0.020 . 1 . . . . 17 ALA HB . 11040 1
182 . 1 1 18 18 ALA HB3 H 1 1.457 0.020 . 1 . . . . 17 ALA HB . 11040 1
183 . 1 1 18 18 ALA CB C 13 21.011 0.400 . 1 . . . . 17 ALA CB . 11040 1
184 . 1 1 19 19 ARG N N 15 120.380 0.400 . 1 . . . . 18 ARG N . 11040 1
185 . 1 1 19 19 ARG H H 1 9.226 0.020 . 1 . . . . 18 ARG H . 11040 1
186 . 1 1 19 19 ARG CA C 13 57.498 0.400 . 1 . . . . 18 ARG CA . 11040 1
187 . 1 1 19 19 ARG HA H 1 4.479 0.020 . 1 . . . . 18 ARG HA . 11040 1
188 . 1 1 19 19 ARG CB C 13 28.912 0.400 . 1 . . . . 18 ARG CB . 11040 1
189 . 1 1 19 19 ARG HB2 H 1 2.125 0.020 . 2 . . . . 18 ARG HB2 . 11040 1
190 . 1 1 19 19 ARG HB3 H 1 1.940 0.020 . 2 . . . . 18 ARG HB3 . 11040 1
191 . 1 1 19 19 ARG CG C 13 27.967 0.400 . 1 . . . . 18 ARG CG . 11040 1
192 . 1 1 19 19 ARG HG2 H 1 2.045 0.020 . 2 . . . . 18 ARG HG2 . 11040 1
193 . 1 1 19 19 ARG HG3 H 1 1.772 0.020 . 2 . . . . 18 ARG HG3 . 11040 1
194 . 1 1 19 19 ARG CD C 13 42.128 0.400 . 1 . . . . 18 ARG CD . 11040 1
195 . 1 1 19 19 ARG HD2 H 1 3.683 0.020 . 2 . . . . 18 ARG HD2 . 11040 1
196 . 1 1 19 19 ARG HD3 H 1 3.503 0.020 . 2 . . . . 18 ARG HD3 . 11040 1
197 . 1 1 20 20 ASN N N 15 112.216 0.400 . 1 . . . . 19 ASN N . 11040 1
198 . 1 1 20 20 ASN H H 1 7.537 0.020 . 1 . . . . 19 ASN H . 11040 1
199 . 1 1 20 20 ASN CA C 13 52.394 0.400 . 1 . . . . 19 ASN CA . 11040 1
200 . 1 1 20 20 ASN HA H 1 4.743 0.020 . 1 . . . . 19 ASN HA . 11040 1
201 . 1 1 20 20 ASN CB C 13 39.950 0.400 . 1 . . . . 19 ASN CB . 11040 1
202 . 1 1 20 20 ASN HB2 H 1 3.100 0.020 . 2 . . . . 19 ASN HB2 . 11040 1
203 . 1 1 20 20 ASN HB3 H 1 3.100 0.020 . 2 . . . . 19 ASN HB3 . 11040 1
204 . 1 1 20 20 ASN ND2 N 15 114.728 0.400 . 1 . . . . 19 ASN ND2 . 11040 1
205 . 1 1 20 20 ASN HD21 H 1 7.438 0.020 . 2 . . . . 19 ASN HD21 . 11040 1
206 . 1 1 20 20 ASN HD22 H 1 7.197 0.020 . 2 . . . . 19 ASN HD22 . 11040 1
207 . 1 1 21 21 SER CA C 13 60.834 0.400 . 1 . . . . 20 SER CA . 11040 1
208 . 1 1 21 21 SER HA H 1 4.493 0.020 . 1 . . . . 20 SER HA . 11040 1
209 . 1 1 21 21 SER CB C 13 63.608 0.400 . 1 . . . . 20 SER CB . 11040 1
210 . 1 1 21 21 SER HB2 H 1 4.169 0.020 . 2 . . . . 20 SER HB2 . 11040 1
211 . 1 1 21 21 SER HB3 H 1 4.040 0.020 . 2 . . . . 20 SER HB3 . 11040 1
212 . 1 1 22 22 SER N N 15 118.053 0.400 . 1 . . . . 21 SER N . 11040 1
213 . 1 1 22 22 SER H H 1 8.900 0.020 . 1 . . . . 21 SER H . 11040 1
214 . 1 1 22 22 SER CA C 13 61.041 0.400 . 1 . . . . 21 SER CA . 11040 1
215 . 1 1 22 22 SER HA H 1 4.636 0.020 . 1 . . . . 21 SER HA . 11040 1
216 . 1 1 22 22 SER CB C 13 64.157 0.400 . 1 . . . . 21 SER CB . 11040 1
217 . 1 1 22 22 SER HB2 H 1 3.907 0.020 . 2 . . . . 21 SER HB2 . 11040 1
218 . 1 1 22 22 SER HB3 H 1 3.569 0.020 . 2 . . . . 21 SER HB3 . 11040 1
219 . 1 1 23 23 GLU N N 15 121.856 0.400 . 1 . . . . 22 GLU N . 11040 1
220 . 1 1 23 23 GLU H H 1 7.427 0.020 . 1 . . . . 22 GLU H . 11040 1
221 . 1 1 23 23 GLU CA C 13 55.107 0.400 . 1 . . . . 22 GLU CA . 11040 1
222 . 1 1 23 23 GLU HA H 1 5.192 0.020 . 1 . . . . 22 GLU HA . 11040 1
223 . 1 1 23 23 GLU CB C 13 32.477 0.400 . 1 . . . . 22 GLU CB . 11040 1
224 . 1 1 23 23 GLU HB2 H 1 2.629 0.020 . 2 . . . . 22 GLU HB2 . 11040 1
225 . 1 1 23 23 GLU HB3 H 1 2.192 0.020 . 2 . . . . 22 GLU HB3 . 11040 1
226 . 1 1 23 23 GLU CG C 13 35.971 0.400 . 1 . . . . 22 GLU CG . 11040 1
227 . 1 1 23 23 GLU HG2 H 1 2.619 0.020 . 2 . . . . 22 GLU HG2 . 11040 1
228 . 1 1 23 23 GLU HG3 H 1 2.192 0.020 . 2 . . . . 22 GLU HG3 . 11040 1
229 . 1 1 24 24 LEU N N 15 122.349 0.400 . 1 . . . . 23 LEU N . 11040 1
230 . 1 1 24 24 LEU H H 1 8.048 0.020 . 1 . . . . 23 LEU H . 11040 1
231 . 1 1 24 24 LEU CA C 13 53.249 0.400 . 1 . . . . 23 LEU CA . 11040 1
232 . 1 1 24 24 LEU HA H 1 4.800 0.020 . 1 . . . . 23 LEU HA . 11040 1
233 . 1 1 24 24 LEU CB C 13 46.485 0.400 . 1 . . . . 23 LEU CB . 11040 1
234 . 1 1 24 24 LEU HB2 H 1 1.627 0.020 . 2 . . . . 23 LEU HB2 . 11040 1
235 . 1 1 24 24 LEU HB3 H 1 0.737 0.020 . 2 . . . . 23 LEU HB3 . 11040 1
236 . 1 1 24 24 LEU CG C 13 26.451 0.400 . 1 . . . . 23 LEU CG . 11040 1
237 . 1 1 24 24 LEU HG H 1 1.485 0.020 . 1 . . . . 23 LEU HG . 11040 1
238 . 1 1 24 24 LEU HD11 H 1 0.803 0.020 . 2 . . . . 23 LEU HD1 . 11040 1
239 . 1 1 24 24 LEU HD12 H 1 0.803 0.020 . 2 . . . . 23 LEU HD1 . 11040 1
240 . 1 1 24 24 LEU HD13 H 1 0.803 0.020 . 2 . . . . 23 LEU HD1 . 11040 1
241 . 1 1 24 24 LEU HD21 H 1 0.645 0.020 . 2 . . . . 23 LEU HD2 . 11040 1
242 . 1 1 24 24 LEU HD22 H 1 0.645 0.020 . 2 . . . . 23 LEU HD2 . 11040 1
243 . 1 1 24 24 LEU HD23 H 1 0.645 0.020 . 2 . . . . 23 LEU HD2 . 11040 1
244 . 1 1 24 24 LEU CD1 C 13 24.188 0.400 . 1 . . . . 23 LEU CD1 . 11040 1
245 . 1 1 24 24 LEU CD2 C 13 26.350 0.400 . 1 . . . . 23 LEU CD2 . 11040 1
246 . 1 1 25 25 SER N N 15 120.004 0.400 . 1 . . . . 24 SER N . 11040 1
247 . 1 1 25 25 SER H H 1 8.236 0.020 . 1 . . . . 24 SER H . 11040 1
248 . 1 1 25 25 SER CA C 13 58.925 0.400 . 1 . . . . 24 SER CA . 11040 1
249 . 1 1 25 25 SER HA H 1 5.204 0.020 . 1 . . . . 24 SER HA . 11040 1
250 . 1 1 25 25 SER CB C 13 63.409 0.400 . 1 . . . . 24 SER CB . 11040 1
251 . 1 1 25 25 SER HB2 H 1 4.074 0.020 . 2 . . . . 24 SER HB2 . 11040 1
252 . 1 1 25 25 SER HB3 H 1 3.911 0.020 . 2 . . . . 24 SER HB3 . 11040 1
253 . 1 1 26 26 VAL N N 15 117.514 0.400 . 1 . . . . 25 VAL N . 11040 1
254 . 1 1 26 26 VAL H H 1 9.065 0.020 . 1 . . . . 25 VAL H . 11040 1
255 . 1 1 26 26 VAL CA C 13 59.779 0.400 . 1 . . . . 25 VAL CA . 11040 1
256 . 1 1 26 26 VAL HA H 1 4.852 0.020 . 1 . . . . 25 VAL HA . 11040 1
257 . 1 1 26 26 VAL CB C 13 37.078 0.400 . 1 . . . . 25 VAL CB . 11040 1
258 . 1 1 26 26 VAL HB H 1 2.574 0.020 . 1 . . . . 25 VAL HB . 11040 1
259 . 1 1 26 26 VAL HG11 H 1 1.024 0.020 . 2 . . . . 25 VAL HG1 . 11040 1
260 . 1 1 26 26 VAL HG12 H 1 1.024 0.020 . 2 . . . . 25 VAL HG1 . 11040 1
261 . 1 1 26 26 VAL HG13 H 1 1.024 0.020 . 2 . . . . 25 VAL HG1 . 11040 1
262 . 1 1 26 26 VAL HG21 H 1 1.172 0.020 . 2 . . . . 25 VAL HG2 . 11040 1
263 . 1 1 26 26 VAL HG22 H 1 1.172 0.020 . 2 . . . . 25 VAL HG2 . 11040 1
264 . 1 1 26 26 VAL HG23 H 1 1.172 0.020 . 2 . . . . 25 VAL HG2 . 11040 1
265 . 1 1 26 26 VAL CG1 C 13 24.002 0.400 . 1 . . . . 25 VAL CG1 . 11040 1
266 . 1 1 26 26 VAL CG2 C 13 21.255 0.400 . 1 . . . . 25 VAL CG2 . 11040 1
267 . 1 1 27 27 LYS N N 15 122.576 0.400 . 1 . . . . 26 LYS N . 11040 1
268 . 1 1 27 27 LYS H H 1 9.040 0.020 . 1 . . . . 26 LYS H . 11040 1
269 . 1 1 27 27 LYS CA C 13 53.737 0.400 . 1 . . . . 26 LYS CA . 11040 1
270 . 1 1 27 27 LYS HA H 1 5.050 0.020 . 1 . . . . 26 LYS HA . 11040 1
271 . 1 1 27 27 LYS CB C 13 35.329 0.400 . 1 . . . . 26 LYS CB . 11040 1
272 . 1 1 27 27 LYS HB2 H 1 1.794 0.020 . 2 . . . . 26 LYS HB2 . 11040 1
273 . 1 1 27 27 LYS HB3 H 1 1.756 0.020 . 2 . . . . 26 LYS HB3 . 11040 1
274 . 1 1 27 27 LYS CG C 13 24.358 0.400 . 1 . . . . 26 LYS CG . 11040 1
275 . 1 1 27 27 LYS HG2 H 1 1.452 0.020 . 2 . . . . 26 LYS HG2 . 11040 1
276 . 1 1 27 27 LYS HG3 H 1 1.452 0.020 . 2 . . . . 26 LYS HG3 . 11040 1
277 . 1 1 27 27 LYS CD C 13 28.897 0.400 . 1 . . . . 26 LYS CD . 11040 1
278 . 1 1 27 27 LYS HD2 H 1 1.730 0.020 . 2 . . . . 26 LYS HD2 . 11040 1
279 . 1 1 27 27 LYS HD3 H 1 1.730 0.020 . 2 . . . . 26 LYS HD3 . 11040 1
280 . 1 1 27 27 LYS CE C 13 41.985 0.400 . 1 . . . . 26 LYS CE . 11040 1
281 . 1 1 27 27 LYS HE2 H 1 3.076 0.020 . 2 . . . . 26 LYS HE2 . 11040 1
282 . 1 1 27 27 LYS HE3 H 1 3.076 0.020 . 2 . . . . 26 LYS HE3 . 11040 1
283 . 1 1 28 28 GLN N N 15 120.338 0.400 . 1 . . . . 27 GLN N . 11040 1
284 . 1 1 28 28 GLN H H 1 8.823 0.020 . 1 . . . . 27 GLN H . 11040 1
285 . 1 1 28 28 GLN CA C 13 58.031 0.400 . 1 . . . . 27 GLN CA . 11040 1
286 . 1 1 28 28 GLN HA H 1 3.484 0.020 . 1 . . . . 27 GLN HA . 11040 1
287 . 1 1 28 28 GLN CB C 13 29.075 0.400 . 1 . . . . 27 GLN CB . 11040 1
288 . 1 1 28 28 GLN HB2 H 1 1.885 0.020 . 2 . . . . 27 GLN HB2 . 11040 1
289 . 1 1 28 28 GLN HB3 H 1 1.784 0.020 . 2 . . . . 27 GLN HB3 . 11040 1
290 . 1 1 28 28 GLN CG C 13 34.006 0.400 . 1 . . . . 27 GLN CG . 11040 1
291 . 1 1 28 28 GLN HG2 H 1 2.200 0.020 . 2 . . . . 27 GLN HG2 . 11040 1
292 . 1 1 28 28 GLN HG3 H 1 2.174 0.020 . 2 . . . . 27 GLN HG3 . 11040 1
293 . 1 1 28 28 GLN NE2 N 15 111.736 0.400 . 1 . . . . 27 GLN NE2 . 11040 1
294 . 1 1 28 28 GLN HE21 H 1 7.416 0.020 . 2 . . . . 27 GLN HE21 . 11040 1
295 . 1 1 28 28 GLN HE22 H 1 6.818 0.020 . 2 . . . . 27 GLN HE22 . 11040 1
296 . 1 1 29 29 ARG N N 15 116.794 0.400 . 1 . . . . 28 ARG N . 11040 1
297 . 1 1 29 29 ARG H H 1 9.081 0.020 . 1 . . . . 28 ARG H . 11040 1
298 . 1 1 29 29 ARG CA C 13 59.673 0.400 . 1 . . . . 28 ARG CA . 11040 1
299 . 1 1 29 29 ARG HA H 1 3.674 0.020 . 1 . . . . 28 ARG HA . 11040 1
300 . 1 1 29 29 ARG CB C 13 27.629 0.400 . 1 . . . . 28 ARG CB . 11040 1
301 . 1 1 29 29 ARG HB2 H 1 2.460 0.020 . 2 . . . . 28 ARG HB2 . 11040 1
302 . 1 1 29 29 ARG HB3 H 1 2.096 0.020 . 2 . . . . 28 ARG HB3 . 11040 1
303 . 1 1 29 29 ARG CG C 13 28.805 0.400 . 1 . . . . 28 ARG CG . 11040 1
304 . 1 1 29 29 ARG HG2 H 1 1.637 0.020 . 2 . . . . 28 ARG HG2 . 11040 1
305 . 1 1 29 29 ARG HG3 H 1 1.637 0.020 . 2 . . . . 28 ARG HG3 . 11040 1
306 . 1 1 29 29 ARG CD C 13 43.237 0.400 . 1 . . . . 28 ARG CD . 11040 1
307 . 1 1 29 29 ARG HD2 H 1 3.263 0.020 . 2 . . . . 28 ARG HD2 . 11040 1
308 . 1 1 29 29 ARG HD3 H 1 3.219 0.020 . 2 . . . . 28 ARG HD3 . 11040 1
309 . 1 1 30 30 ASP N N 15 121.403 0.400 . 1 . . . . 29 ASP N . 11040 1
310 . 1 1 30 30 ASP H H 1 8.284 0.020 . 1 . . . . 29 ASP H . 11040 1
311 . 1 1 30 30 ASP CA C 13 56.129 0.400 . 1 . . . . 29 ASP CA . 11040 1
312 . 1 1 30 30 ASP HA H 1 4.607 0.020 . 1 . . . . 29 ASP HA . 11040 1
313 . 1 1 30 30 ASP CB C 13 41.353 0.400 . 1 . . . . 29 ASP CB . 11040 1
314 . 1 1 30 30 ASP HB2 H 1 3.090 0.020 . 2 . . . . 29 ASP HB2 . 11040 1
315 . 1 1 30 30 ASP HB3 H 1 2.476 0.020 . 2 . . . . 29 ASP HB3 . 11040 1
316 . 1 1 31 31 VAL N N 15 121.420 0.400 . 1 . . . . 30 VAL N . 11040 1
317 . 1 1 31 31 VAL H H 1 8.051 0.020 . 1 . . . . 30 VAL H . 11040 1
318 . 1 1 31 31 VAL CA C 13 61.760 0.400 . 1 . . . . 30 VAL CA . 11040 1
319 . 1 1 31 31 VAL HA H 1 4.881 0.020 . 1 . . . . 30 VAL HA . 11040 1
320 . 1 1 31 31 VAL CB C 13 32.667 0.400 . 1 . . . . 30 VAL CB . 11040 1
321 . 1 1 31 31 VAL HB H 1 1.776 0.020 . 1 . . . . 30 VAL HB . 11040 1
322 . 1 1 31 31 VAL HG11 H 1 0.659 0.020 . 2 . . . . 30 VAL HG1 . 11040 1
323 . 1 1 31 31 VAL HG12 H 1 0.659 0.020 . 2 . . . . 30 VAL HG1 . 11040 1
324 . 1 1 31 31 VAL HG13 H 1 0.659 0.020 . 2 . . . . 30 VAL HG1 . 11040 1
325 . 1 1 31 31 VAL HG21 H 1 0.501 0.020 . 2 . . . . 30 VAL HG2 . 11040 1
326 . 1 1 31 31 VAL HG22 H 1 0.501 0.020 . 2 . . . . 30 VAL HG2 . 11040 1
327 . 1 1 31 31 VAL HG23 H 1 0.501 0.020 . 2 . . . . 30 VAL HG2 . 11040 1
328 . 1 1 31 31 VAL CG1 C 13 21.466 0.400 . 1 . . . . 30 VAL CG1 . 11040 1
329 . 1 1 31 31 VAL CG2 C 13 21.314 0.400 . 1 . . . . 30 VAL CG2 . 11040 1
330 . 1 1 32 32 LEU N N 15 125.569 0.400 . 1 . . . . 31 LEU N . 11040 1
331 . 1 1 32 32 LEU H H 1 9.184 0.020 . 1 . . . . 31 LEU H . 11040 1
332 . 1 1 32 32 LEU CA C 13 52.871 0.400 . 1 . . . . 31 LEU CA . 11040 1
333 . 1 1 32 32 LEU HA H 1 5.051 0.020 . 1 . . . . 31 LEU HA . 11040 1
334 . 1 1 32 32 LEU CB C 13 45.385 0.400 . 1 . . . . 31 LEU CB . 11040 1
335 . 1 1 32 32 LEU HB2 H 1 1.565 0.020 . 2 . . . . 31 LEU HB2 . 11040 1
336 . 1 1 32 32 LEU HB3 H 1 1.324 0.020 . 2 . . . . 31 LEU HB3 . 11040 1
337 . 1 1 32 32 LEU CG C 13 27.187 0.400 . 1 . . . . 31 LEU CG . 11040 1
338 . 1 1 32 32 LEU HG H 1 1.621 0.020 . 1 . . . . 31 LEU HG . 11040 1
339 . 1 1 32 32 LEU HD11 H 1 0.876 0.020 . 2 . . . . 31 LEU HD1 . 11040 1
340 . 1 1 32 32 LEU HD12 H 1 0.876 0.020 . 2 . . . . 31 LEU HD1 . 11040 1
341 . 1 1 32 32 LEU HD13 H 1 0.876 0.020 . 2 . . . . 31 LEU HD1 . 11040 1
342 . 1 1 32 32 LEU HD21 H 1 0.965 0.020 . 2 . . . . 31 LEU HD2 . 11040 1
343 . 1 1 32 32 LEU HD22 H 1 0.965 0.020 . 2 . . . . 31 LEU HD2 . 11040 1
344 . 1 1 32 32 LEU HD23 H 1 0.965 0.020 . 2 . . . . 31 LEU HD2 . 11040 1
345 . 1 1 32 32 LEU CD1 C 13 26.867 0.400 . 1 . . . . 31 LEU CD1 . 11040 1
346 . 1 1 32 32 LEU CD2 C 13 24.028 0.400 . 1 . . . . 31 LEU CD2 . 11040 1
347 . 1 1 33 33 GLU N N 15 122.741 0.400 . 1 . . . . 32 GLU N . 11040 1
348 . 1 1 33 33 GLU H H 1 8.457 0.020 . 1 . . . . 32 GLU H . 11040 1
349 . 1 1 33 33 GLU CA C 13 54.900 0.400 . 1 . . . . 32 GLU CA . 11040 1
350 . 1 1 33 33 GLU HA H 1 4.137 0.020 . 1 . . . . 32 GLU HA . 11040 1
351 . 1 1 33 33 GLU CB C 13 31.417 0.400 . 1 . . . . 32 GLU CB . 11040 1
352 . 1 1 33 33 GLU HB2 H 1 1.641 0.020 . 2 . . . . 32 GLU HB2 . 11040 1
353 . 1 1 33 33 GLU HB3 H 1 1.356 0.020 . 2 . . . . 32 GLU HB3 . 11040 1
354 . 1 1 33 33 GLU CG C 13 35.792 0.400 . 1 . . . . 32 GLU CG . 11040 1
355 . 1 1 33 33 GLU HG2 H 1 1.507 0.020 . 2 . . . . 32 GLU HG2 . 11040 1
356 . 1 1 33 33 GLU HG3 H 1 1.222 0.020 . 2 . . . . 32 GLU HG3 . 11040 1
357 . 1 1 34 34 VAL N N 15 125.249 0.400 . 1 . . . . 33 VAL N . 11040 1
358 . 1 1 34 34 VAL H H 1 8.760 0.020 . 1 . . . . 33 VAL H . 11040 1
359 . 1 1 34 34 VAL CA C 13 63.731 0.400 . 1 . . . . 33 VAL CA . 11040 1
360 . 1 1 34 34 VAL HA H 1 3.919 0.020 . 1 . . . . 33 VAL HA . 11040 1
361 . 1 1 34 34 VAL CB C 13 32.469 0.400 . 1 . . . . 33 VAL CB . 11040 1
362 . 1 1 34 34 VAL HB H 1 1.872 0.020 . 1 . . . . 33 VAL HB . 11040 1
363 . 1 1 34 34 VAL HG11 H 1 0.551 0.020 . 2 . . . . 33 VAL HG1 . 11040 1
364 . 1 1 34 34 VAL HG12 H 1 0.551 0.020 . 2 . . . . 33 VAL HG1 . 11040 1
365 . 1 1 34 34 VAL HG13 H 1 0.551 0.020 . 2 . . . . 33 VAL HG1 . 11040 1
366 . 1 1 34 34 VAL HG21 H 1 1.016 0.020 . 2 . . . . 33 VAL HG2 . 11040 1
367 . 1 1 34 34 VAL HG22 H 1 1.016 0.020 . 2 . . . . 33 VAL HG2 . 11040 1
368 . 1 1 34 34 VAL HG23 H 1 1.016 0.020 . 2 . . . . 33 VAL HG2 . 11040 1
369 . 1 1 34 34 VAL CG1 C 13 22.062 0.400 . 1 . . . . 33 VAL CG1 . 11040 1
370 . 1 1 34 34 VAL CG2 C 13 24.006 0.400 . 1 . . . . 33 VAL CG2 . 11040 1
371 . 1 1 35 35 LEU N N 15 127.919 0.400 . 1 . . . . 34 LEU N . 11040 1
372 . 1 1 35 35 LEU H H 1 9.151 0.020 . 1 . . . . 34 LEU H . 11040 1
373 . 1 1 35 35 LEU CA C 13 55.035 0.400 . 1 . . . . 34 LEU CA . 11040 1
374 . 1 1 35 35 LEU HA H 1 4.442 0.020 . 1 . . . . 34 LEU HA . 11040 1
375 . 1 1 35 35 LEU CB C 13 41.985 0.400 . 1 . . . . 34 LEU CB . 11040 1
376 . 1 1 35 35 LEU HB2 H 1 1.489 0.020 . 2 . . . . 34 LEU HB2 . 11040 1
377 . 1 1 35 35 LEU HB3 H 1 1.163 0.020 . 2 . . . . 34 LEU HB3 . 11040 1
378 . 1 1 35 35 LEU CG C 13 27.123 0.400 . 1 . . . . 34 LEU CG . 11040 1
379 . 1 1 35 35 LEU HG H 1 1.399 0.020 . 1 . . . . 34 LEU HG . 11040 1
380 . 1 1 35 35 LEU HD11 H 1 0.653 0.020 . 2 . . . . 34 LEU HD1 . 11040 1
381 . 1 1 35 35 LEU HD12 H 1 0.653 0.020 . 2 . . . . 34 LEU HD1 . 11040 1
382 . 1 1 35 35 LEU HD13 H 1 0.653 0.020 . 2 . . . . 34 LEU HD1 . 11040 1
383 . 1 1 35 35 LEU HD21 H 1 0.573 0.020 . 2 . . . . 34 LEU HD2 . 11040 1
384 . 1 1 35 35 LEU HD22 H 1 0.573 0.020 . 2 . . . . 34 LEU HD2 . 11040 1
385 . 1 1 35 35 LEU HD23 H 1 0.573 0.020 . 2 . . . . 34 LEU HD2 . 11040 1
386 . 1 1 35 35 LEU CD1 C 13 25.387 0.400 . 1 . . . . 34 LEU CD1 . 11040 1
387 . 1 1 35 35 LEU CD2 C 13 21.626 0.400 . 1 . . . . 34 LEU CD2 . 11040 1
388 . 1 1 36 36 ASP N N 15 116.668 0.400 . 1 . . . . 35 ASP N . 11040 1
389 . 1 1 36 36 ASP H H 1 7.584 0.020 . 1 . . . . 35 ASP H . 11040 1
390 . 1 1 36 36 ASP CA C 13 55.459 0.400 . 1 . . . . 35 ASP CA . 11040 1
391 . 1 1 36 36 ASP HA H 1 4.645 0.020 . 1 . . . . 35 ASP HA . 11040 1
392 . 1 1 36 36 ASP CB C 13 43.532 0.400 . 1 . . . . 35 ASP CB . 11040 1
393 . 1 1 36 36 ASP HB2 H 1 2.755 0.020 . 2 . . . . 35 ASP HB2 . 11040 1
394 . 1 1 36 36 ASP HB3 H 1 2.755 0.020 . 2 . . . . 35 ASP HB3 . 11040 1
395 . 1 1 37 37 ASP N N 15 127.580 0.400 . 1 . . . . 36 ASP N . 11040 1
396 . 1 1 37 37 ASP H H 1 8.022 0.020 . 1 . . . . 36 ASP H . 11040 1
397 . 1 1 37 37 ASP CA C 13 51.593 0.400 . 1 . . . . 36 ASP CA . 11040 1
398 . 1 1 37 37 ASP HA H 1 3.245 0.020 . 1 . . . . 36 ASP HA . 11040 1
399 . 1 1 37 37 ASP CB C 13 38.614 0.400 . 1 . . . . 36 ASP CB . 11040 1
400 . 1 1 37 37 ASP HB2 H 1 1.323 0.020 . 2 . . . . 36 ASP HB2 . 11040 1
401 . 1 1 37 37 ASP HB3 H 1 0.722 0.020 . 2 . . . . 36 ASP HB3 . 11040 1
402 . 1 1 38 38 SER N N 15 114.563 0.400 . 1 . . . . 37 SER N . 11040 1
403 . 1 1 38 38 SER H H 1 8.095 0.020 . 1 . . . . 37 SER H . 11040 1
404 . 1 1 38 38 SER CA C 13 61.599 0.400 . 1 . . . . 37 SER CA . 11040 1
405 . 1 1 38 38 SER HA H 1 4.151 0.020 . 1 . . . . 37 SER HA . 11040 1
406 . 1 1 38 38 SER CB C 13 64.411 0.400 . 1 . . . . 37 SER CB . 11040 1
407 . 1 1 38 38 SER HB2 H 1 3.987 0.020 . 2 . . . . 37 SER HB2 . 11040 1
408 . 1 1 38 38 SER HB3 H 1 3.987 0.020 . 2 . . . . 37 SER HB3 . 11040 1
409 . 1 1 39 39 ARG N N 15 124.784 0.400 . 1 . . . . 38 ARG N . 11040 1
410 . 1 1 39 39 ARG H H 1 8.417 0.020 . 1 . . . . 38 ARG H . 11040 1
411 . 1 1 39 39 ARG CA C 13 55.505 0.400 . 1 . . . . 38 ARG CA . 11040 1
412 . 1 1 39 39 ARG HA H 1 4.865 0.020 . 1 . . . . 38 ARG HA . 11040 1
413 . 1 1 39 39 ARG CB C 13 30.219 0.400 . 1 . . . . 38 ARG CB . 11040 1
414 . 1 1 39 39 ARG HB2 H 1 2.526 0.020 . 2 . . . . 38 ARG HB2 . 11040 1
415 . 1 1 39 39 ARG HB3 H 1 2.141 0.020 . 2 . . . . 38 ARG HB3 . 11040 1
416 . 1 1 39 39 ARG CG C 13 28.035 0.400 . 1 . . . . 38 ARG CG . 11040 1
417 . 1 1 39 39 ARG HG2 H 1 1.837 0.020 . 2 . . . . 38 ARG HG2 . 11040 1
418 . 1 1 39 39 ARG HG3 H 1 1.616 0.020 . 2 . . . . 38 ARG HG3 . 11040 1
419 . 1 1 39 39 ARG CD C 13 43.899 0.400 . 1 . . . . 38 ARG CD . 11040 1
420 . 1 1 39 39 ARG HD2 H 1 3.289 0.020 . 2 . . . . 38 ARG HD2 . 11040 1
421 . 1 1 39 39 ARG HD3 H 1 3.231 0.020 . 2 . . . . 38 ARG HD3 . 11040 1
422 . 1 1 40 40 LYS CA C 13 58.133 0.400 . 1 . . . . 39 LYS CA . 11040 1
423 . 1 1 40 40 LYS HA H 1 4.295 0.020 . 1 . . . . 39 LYS HA . 11040 1
424 . 1 1 40 40 LYS CB C 13 32.160 0.400 . 1 . . . . 39 LYS CB . 11040 1
425 . 1 1 40 40 LYS HB2 H 1 2.288 0.020 . 2 . . . . 39 LYS HB2 . 11040 1
426 . 1 1 40 40 LYS HB3 H 1 1.765 0.020 . 2 . . . . 39 LYS HB3 . 11040 1
427 . 1 1 40 40 LYS CG C 13 25.894 0.400 . 1 . . . . 39 LYS CG . 11040 1
428 . 1 1 40 40 LYS HG2 H 1 1.636 0.020 . 2 . . . . 39 LYS HG2 . 11040 1
429 . 1 1 40 40 LYS HG3 H 1 1.375 0.020 . 2 . . . . 39 LYS HG3 . 11040 1
430 . 1 1 40 40 LYS CD C 13 28.891 0.400 . 1 . . . . 39 LYS CD . 11040 1
431 . 1 1 40 40 LYS HD2 H 1 1.616 0.020 . 2 . . . . 39 LYS HD2 . 11040 1
432 . 1 1 40 40 LYS HD3 H 1 1.616 0.020 . 2 . . . . 39 LYS HD3 . 11040 1
433 . 1 1 40 40 LYS CE C 13 42.505 0.400 . 1 . . . . 39 LYS CE . 11040 1
434 . 1 1 40 40 LYS HE2 H 1 3.014 0.020 . 2 . . . . 39 LYS HE2 . 11040 1
435 . 1 1 40 40 LYS HE3 H 1 3.014 0.020 . 2 . . . . 39 LYS HE3 . 11040 1
436 . 1 1 41 41 TRP N N 15 119.580 0.400 . 1 . . . . 40 TRP N . 11040 1
437 . 1 1 41 41 TRP H H 1 8.532 0.020 . 1 . . . . 40 TRP H . 11040 1
438 . 1 1 41 41 TRP CA C 13 57.025 0.400 . 1 . . . . 40 TRP CA . 11040 1
439 . 1 1 41 41 TRP HA H 1 5.019 0.020 . 1 . . . . 40 TRP HA . 11040 1
440 . 1 1 41 41 TRP CB C 13 28.393 0.400 . 1 . . . . 40 TRP CB . 11040 1
441 . 1 1 41 41 TRP HB2 H 1 3.592 0.020 . 2 . . . . 40 TRP HB2 . 11040 1
442 . 1 1 41 41 TRP HB3 H 1 3.245 0.020 . 2 . . . . 40 TRP HB3 . 11040 1
443 . 1 1 41 41 TRP CD1 C 13 124.920 0.400 . 1 . . . . 40 TRP CD1 . 11040 1
444 . 1 1 41 41 TRP CE3 C 13 119.769 0.400 . 1 . . . . 40 TRP CE3 . 11040 1
445 . 1 1 41 41 TRP NE1 N 15 131.070 0.400 . 1 . . . . 40 TRP NE1 . 11040 1
446 . 1 1 41 41 TRP HD1 H 1 7.206 0.020 . 1 . . . . 40 TRP HD1 . 11040 1
447 . 1 1 41 41 TRP HE3 H 1 7.282 0.020 . 1 . . . . 40 TRP HE3 . 11040 1
448 . 1 1 41 41 TRP CZ3 C 13 122.483 0.400 . 1 . . . . 40 TRP CZ3 . 11040 1
449 . 1 1 41 41 TRP CZ2 C 13 114.462 0.400 . 1 . . . . 40 TRP CZ2 . 11040 1
450 . 1 1 41 41 TRP HE1 H 1 9.328 0.020 . 1 . . . . 40 TRP HE1 . 11040 1
451 . 1 1 41 41 TRP HZ3 H 1 7.166 0.020 . 1 . . . . 40 TRP HZ3 . 11040 1
452 . 1 1 41 41 TRP CH2 C 13 125.950 0.400 . 1 . . . . 40 TRP CH2 . 11040 1
453 . 1 1 41 41 TRP HZ2 H 1 7.588 0.020 . 1 . . . . 40 TRP HZ2 . 11040 1
454 . 1 1 41 41 TRP HH2 H 1 7.426 0.020 . 1 . . . . 40 TRP HH2 . 11040 1
455 . 1 1 42 42 TRP N N 15 128.948 0.400 . 1 . . . . 41 TRP N . 11040 1
456 . 1 1 42 42 TRP H H 1 9.567 0.020 . 1 . . . . 41 TRP H . 11040 1
457 . 1 1 42 42 TRP CA C 13 55.260 0.400 . 1 . . . . 41 TRP CA . 11040 1
458 . 1 1 42 42 TRP HA H 1 5.405 0.020 . 1 . . . . 41 TRP HA . 11040 1
459 . 1 1 42 42 TRP CB C 13 30.382 0.400 . 1 . . . . 41 TRP CB . 11040 1
460 . 1 1 42 42 TRP HB2 H 1 3.034 0.020 . 2 . . . . 41 TRP HB2 . 11040 1
461 . 1 1 42 42 TRP HB3 H 1 2.873 0.020 . 2 . . . . 41 TRP HB3 . 11040 1
462 . 1 1 42 42 TRP CD1 C 13 125.363 0.400 . 1 . . . . 41 TRP CD1 . 11040 1
463 . 1 1 42 42 TRP CE3 C 13 121.283 0.400 . 1 . . . . 41 TRP CE3 . 11040 1
464 . 1 1 42 42 TRP NE1 N 15 130.099 0.400 . 1 . . . . 41 TRP NE1 . 11040 1
465 . 1 1 42 42 TRP HD1 H 1 6.956 0.020 . 1 . . . . 41 TRP HD1 . 11040 1
466 . 1 1 42 42 TRP HE3 H 1 7.182 0.020 . 1 . . . . 41 TRP HE3 . 11040 1
467 . 1 1 42 42 TRP CZ3 C 13 120.892 0.400 . 1 . . . . 41 TRP CZ3 . 11040 1
468 . 1 1 42 42 TRP CZ2 C 13 115.066 0.400 . 1 . . . . 41 TRP CZ2 . 11040 1
469 . 1 1 42 42 TRP HE1 H 1 9.487 0.020 . 1 . . . . 41 TRP HE1 . 11040 1
470 . 1 1 42 42 TRP HZ3 H 1 7.003 0.020 . 1 . . . . 41 TRP HZ3 . 11040 1
471 . 1 1 42 42 TRP CH2 C 13 125.102 0.400 . 1 . . . . 41 TRP CH2 . 11040 1
472 . 1 1 42 42 TRP HZ2 H 1 7.590 0.020 . 1 . . . . 41 TRP HZ2 . 11040 1
473 . 1 1 42 42 TRP HH2 H 1 7.360 0.020 . 1 . . . . 41 TRP HH2 . 11040 1
474 . 1 1 43 43 LYS N N 15 124.585 0.400 . 1 . . . . 42 LYS N . 11040 1
475 . 1 1 43 43 LYS H H 1 8.883 0.020 . 1 . . . . 42 LYS H . 11040 1
476 . 1 1 43 43 LYS CA C 13 55.769 0.400 . 1 . . . . 42 LYS CA . 11040 1
477 . 1 1 43 43 LYS HA H 1 4.292 0.020 . 1 . . . . 42 LYS HA . 11040 1
478 . 1 1 43 43 LYS CB C 13 33.917 0.400 . 1 . . . . 42 LYS CB . 11040 1
479 . 1 1 43 43 LYS HB2 H 1 1.633 0.020 . 2 . . . . 42 LYS HB2 . 11040 1
480 . 1 1 43 43 LYS HB3 H 1 1.526 0.020 . 2 . . . . 42 LYS HB3 . 11040 1
481 . 1 1 43 43 LYS CG C 13 26.238 0.400 . 1 . . . . 42 LYS CG . 11040 1
482 . 1 1 43 43 LYS HG2 H 1 1.074 0.020 . 2 . . . . 42 LYS HG2 . 11040 1
483 . 1 1 43 43 LYS HG3 H 1 0.424 0.020 . 2 . . . . 42 LYS HG3 . 11040 1
484 . 1 1 43 43 LYS CD C 13 29.321 0.400 . 1 . . . . 42 LYS CD . 11040 1
485 . 1 1 43 43 LYS HD2 H 1 1.515 0.020 . 2 . . . . 42 LYS HD2 . 11040 1
486 . 1 1 43 43 LYS HD3 H 1 1.450 0.020 . 2 . . . . 42 LYS HD3 . 11040 1
487 . 1 1 43 43 LYS CE C 13 42.231 0.400 . 1 . . . . 42 LYS CE . 11040 1
488 . 1 1 43 43 LYS HE2 H 1 2.723 0.020 . 2 . . . . 42 LYS HE2 . 11040 1
489 . 1 1 43 43 LYS HE3 H 1 2.679 0.020 . 2 . . . . 42 LYS HE3 . 11040 1
490 . 1 1 44 44 VAL N N 15 122.552 0.400 . 1 . . . . 43 VAL N . 11040 1
491 . 1 1 44 44 VAL H H 1 9.179 0.020 . 1 . . . . 43 VAL H . 11040 1
492 . 1 1 44 44 VAL CA C 13 58.908 0.400 . 1 . . . . 43 VAL CA . 11040 1
493 . 1 1 44 44 VAL HA H 1 5.485 0.020 . 1 . . . . 43 VAL HA . 11040 1
494 . 1 1 44 44 VAL CB C 13 36.979 0.400 . 1 . . . . 43 VAL CB . 11040 1
495 . 1 1 44 44 VAL HB H 1 2.118 0.020 . 1 . . . . 43 VAL HB . 11040 1
496 . 1 1 44 44 VAL HG11 H 1 0.896 0.020 . 2 . . . . 43 VAL HG1 . 11040 1
497 . 1 1 44 44 VAL HG12 H 1 0.896 0.020 . 2 . . . . 43 VAL HG1 . 11040 1
498 . 1 1 44 44 VAL HG13 H 1 0.896 0.020 . 2 . . . . 43 VAL HG1 . 11040 1
499 . 1 1 44 44 VAL HG21 H 1 0.903 0.020 . 2 . . . . 43 VAL HG2 . 11040 1
500 . 1 1 44 44 VAL HG22 H 1 0.903 0.020 . 2 . . . . 43 VAL HG2 . 11040 1
501 . 1 1 44 44 VAL HG23 H 1 0.903 0.020 . 2 . . . . 43 VAL HG2 . 11040 1
502 . 1 1 44 44 VAL CG1 C 13 21.330 0.400 . 1 . . . . 43 VAL CG1 . 11040 1
503 . 1 1 44 44 VAL CG2 C 13 19.453 0.400 . 1 . . . . 43 VAL CG2 . 11040 1
504 . 1 1 45 45 ARG N N 15 119.041 0.400 . 1 . . . . 44 ARG N . 11040 1
505 . 1 1 45 45 ARG H H 1 8.858 0.020 . 1 . . . . 44 ARG H . 11040 1
506 . 1 1 45 45 ARG CA C 13 53.923 0.400 . 1 . . . . 44 ARG CA . 11040 1
507 . 1 1 45 45 ARG HA H 1 5.519 0.020 . 1 . . . . 44 ARG HA . 11040 1
508 . 1 1 45 45 ARG CB C 13 35.138 0.400 . 1 . . . . 44 ARG CB . 11040 1
509 . 1 1 45 45 ARG HB2 H 1 1.755 0.020 . 2 . . . . 44 ARG HB2 . 11040 1
510 . 1 1 45 45 ARG HB3 H 1 1.580 0.020 . 2 . . . . 44 ARG HB3 . 11040 1
511 . 1 1 45 45 ARG CG C 13 26.846 0.400 . 1 . . . . 44 ARG CG . 11040 1
512 . 1 1 45 45 ARG HG2 H 1 2.014 0.020 . 2 . . . . 44 ARG HG2 . 11040 1
513 . 1 1 45 45 ARG HG3 H 1 1.437 0.020 . 2 . . . . 44 ARG HG3 . 11040 1
514 . 1 1 45 45 ARG CD C 13 44.043 0.400 . 1 . . . . 44 ARG CD . 11040 1
515 . 1 1 45 45 ARG HD2 H 1 3.341 0.020 . 2 . . . . 44 ARG HD2 . 11040 1
516 . 1 1 45 45 ARG HD3 H 1 3.306 0.020 . 2 . . . . 44 ARG HD3 . 11040 1
517 . 1 1 46 46 ASP N N 15 129.650 0.400 . 1 . . . . 45 ASP N . 11040 1
518 . 1 1 46 46 ASP H H 1 9.145 0.020 . 1 . . . . 45 ASP H . 11040 1
519 . 1 1 46 46 ASP CA C 13 53.014 0.400 . 1 . . . . 45 ASP CA . 11040 1
520 . 1 1 46 46 ASP HA H 1 4.989 0.020 . 1 . . . . 45 ASP HA . 11040 1
521 . 1 1 46 46 ASP CB C 13 40.793 0.400 . 1 . . . . 45 ASP CB . 11040 1
522 . 1 1 46 46 ASP HB2 H 1 3.437 0.020 . 2 . . . . 45 ASP HB2 . 11040 1
523 . 1 1 46 46 ASP HB3 H 1 2.597 0.020 . 2 . . . . 45 ASP HB3 . 11040 1
524 . 1 1 47 47 PRO CD C 13 51.896 0.400 . 1 . . . . 46 PRO CD . 11040 1
525 . 1 1 47 47 PRO CA C 13 65.631 0.400 . 1 . . . . 46 PRO CA . 11040 1
526 . 1 1 47 47 PRO HA H 1 4.571 0.020 . 1 . . . . 46 PRO HA . 11040 1
527 . 1 1 47 47 PRO CB C 13 31.966 0.400 . 1 . . . . 46 PRO CB . 11040 1
528 . 1 1 47 47 PRO HB2 H 1 2.582 0.020 . 2 . . . . 46 PRO HB2 . 11040 1
529 . 1 1 47 47 PRO HB3 H 1 1.992 0.020 . 2 . . . . 46 PRO HB3 . 11040 1
530 . 1 1 47 47 PRO CG C 13 28.182 0.400 . 1 . . . . 46 PRO CG . 11040 1
531 . 1 1 47 47 PRO HG2 H 1 2.321 0.020 . 2 . . . . 46 PRO HG2 . 11040 1
532 . 1 1 47 47 PRO HG3 H 1 2.237 0.020 . 2 . . . . 46 PRO HG3 . 11040 1
533 . 1 1 47 47 PRO HD2 H 1 3.979 0.020 . 2 . . . . 46 PRO HD2 . 11040 1
534 . 1 1 47 47 PRO HD3 H 1 3.912 0.020 . 2 . . . . 46 PRO HD3 . 11040 1
535 . 1 1 48 48 ALA N N 15 118.756 0.400 . 1 . . . . 47 ALA N . 11040 1
536 . 1 1 48 48 ALA H H 1 7.922 0.020 . 1 . . . . 47 ALA H . 11040 1
537 . 1 1 48 48 ALA CA C 13 51.928 0.400 . 1 . . . . 47 ALA CA . 11040 1
538 . 1 1 48 48 ALA HA H 1 4.552 0.020 . 1 . . . . 47 ALA HA . 11040 1
539 . 1 1 48 48 ALA HB1 H 1 1.575 0.020 . 1 . . . . 47 ALA HB . 11040 1
540 . 1 1 48 48 ALA HB2 H 1 1.575 0.020 . 1 . . . . 47 ALA HB . 11040 1
541 . 1 1 48 48 ALA HB3 H 1 1.575 0.020 . 1 . . . . 47 ALA HB . 11040 1
542 . 1 1 48 48 ALA CB C 13 19.008 0.400 . 1 . . . . 47 ALA CB . 11040 1
543 . 1 1 49 49 GLY N N 15 108.708 0.400 . 1 . . . . 48 GLY N . 11040 1
544 . 1 1 49 49 GLY H H 1 8.559 0.020 . 1 . . . . 48 GLY H . 11040 1
545 . 1 1 49 49 GLY CA C 13 45.389 0.400 . 1 . . . . 48 GLY CA . 11040 1
546 . 1 1 49 49 GLY HA2 H 1 4.366 0.020 . 2 . . . . 48 GLY HA2 . 11040 1
547 . 1 1 49 49 GLY HA3 H 1 3.570 0.020 . 2 . . . . 48 GLY HA3 . 11040 1
548 . 1 1 50 50 GLN N N 15 122.968 0.400 . 1 . . . . 49 GLN N . 11040 1
549 . 1 1 50 50 GLN H H 1 8.794 0.020 . 1 . . . . 49 GLN H . 11040 1
550 . 1 1 50 50 GLN CA C 13 56.057 0.400 . 1 . . . . 49 GLN CA . 11040 1
551 . 1 1 50 50 GLN HA H 1 4.333 0.020 . 1 . . . . 49 GLN HA . 11040 1
552 . 1 1 50 50 GLN CB C 13 29.676 0.400 . 1 . . . . 49 GLN CB . 11040 1
553 . 1 1 50 50 GLN HB2 H 1 2.293 0.020 . 2 . . . . 49 GLN HB2 . 11040 1
554 . 1 1 50 50 GLN HB3 H 1 2.068 0.020 . 2 . . . . 49 GLN HB3 . 11040 1
555 . 1 1 50 50 GLN CG C 13 35.045 0.400 . 1 . . . . 49 GLN CG . 11040 1
556 . 1 1 50 50 GLN HG2 H 1 2.528 0.020 . 2 . . . . 49 GLN HG2 . 11040 1
557 . 1 1 50 50 GLN HG3 H 1 2.237 0.020 . 2 . . . . 49 GLN HG3 . 11040 1
558 . 1 1 50 50 GLN NE2 N 15 112.993 0.400 . 1 . . . . 49 GLN NE2 . 11040 1
559 . 1 1 50 50 GLN HE21 H 1 8.108 0.020 . 2 . . . . 49 GLN HE21 . 11040 1
560 . 1 1 50 50 GLN HE22 H 1 6.884 0.020 . 2 . . . . 49 GLN HE22 . 11040 1
561 . 1 1 51 51 GLU N N 15 118.861 0.400 . 1 . . . . 50 GLU N . 11040 1
562 . 1 1 51 51 GLU H H 1 8.386 0.020 . 1 . . . . 50 GLU H . 11040 1
563 . 1 1 51 51 GLU CA C 13 53.692 0.400 . 1 . . . . 50 GLU CA . 11040 1
564 . 1 1 51 51 GLU HA H 1 5.777 0.020 . 1 . . . . 50 GLU HA . 11040 1
565 . 1 1 51 51 GLU CB C 13 33.914 0.400 . 1 . . . . 50 GLU CB . 11040 1
566 . 1 1 51 51 GLU HB2 H 1 1.846 0.020 . 2 . . . . 50 GLU HB2 . 11040 1
567 . 1 1 51 51 GLU HB3 H 1 1.714 0.020 . 2 . . . . 50 GLU HB3 . 11040 1
568 . 1 1 51 51 GLU CG C 13 36.364 0.400 . 1 . . . . 50 GLU CG . 11040 1
569 . 1 1 51 51 GLU HG2 H 1 2.319 0.020 . 2 . . . . 50 GLU HG2 . 11040 1
570 . 1 1 51 51 GLU HG3 H 1 2.018 0.020 . 2 . . . . 50 GLU HG3 . 11040 1
571 . 1 1 52 52 GLY N N 15 106.248 0.400 . 1 . . . . 51 GLY N . 11040 1
572 . 1 1 52 52 GLY H H 1 8.350 0.020 . 1 . . . . 51 GLY H . 11040 1
573 . 1 1 52 52 GLY CA C 13 45.340 0.400 . 1 . . . . 51 GLY CA . 11040 1
574 . 1 1 52 52 GLY HA2 H 1 3.921 0.020 . 2 . . . . 51 GLY HA2 . 11040 1
575 . 1 1 52 52 GLY HA3 H 1 3.972 0.020 . 2 . . . . 51 GLY HA3 . 11040 1
576 . 1 1 53 53 TYR N N 15 118.017 0.400 . 1 . . . . 52 TYR N . 11040 1
577 . 1 1 53 53 TYR H H 1 8.708 0.020 . 1 . . . . 52 TYR H . 11040 1
578 . 1 1 53 53 TYR CA C 13 59.010 0.400 . 1 . . . . 52 TYR CA . 11040 1
579 . 1 1 53 53 TYR HA H 1 5.795 0.020 . 1 . . . . 52 TYR HA . 11040 1
580 . 1 1 53 53 TYR CB C 13 42.282 0.400 . 1 . . . . 52 TYR CB . 11040 1
581 . 1 1 53 53 TYR HB2 H 1 3.233 0.020 . 2 . . . . 52 TYR HB2 . 11040 1
582 . 1 1 53 53 TYR HB3 H 1 2.333 0.020 . 2 . . . . 52 TYR HB3 . 11040 1
583 . 1 1 53 53 TYR CD1 C 13 133.602 0.400 . 1 . . . . 52 TYR CD1 . 11040 1
584 . 1 1 53 53 TYR HD1 H 1 6.957 0.020 . 1 . . . . 52 TYR HD1 . 11040 1
585 . 1 1 53 53 TYR CE1 C 13 118.949 0.400 . 1 . . . . 52 TYR CE1 . 11040 1
586 . 1 1 53 53 TYR HE1 H 1 6.963 0.020 . 1 . . . . 52 TYR HE1 . 11040 1
587 . 1 1 53 53 TYR CE2 C 13 118.949 0.400 . 1 . . . . 52 TYR CE2 . 11040 1
588 . 1 1 53 53 TYR HE2 H 1 6.963 0.020 . 1 . . . . 52 TYR HE2 . 11040 1
589 . 1 1 53 53 TYR CD2 C 13 133.602 0.400 . 1 . . . . 52 TYR CD2 . 11040 1
590 . 1 1 53 53 TYR HD2 H 1 6.957 0.020 . 1 . . . . 52 TYR HD2 . 11040 1
591 . 1 1 54 54 VAL N N 15 113.656 0.400 . 1 . . . . 53 VAL N . 11040 1
592 . 1 1 54 54 VAL H H 1 9.091 0.020 . 1 . . . . 53 VAL H . 11040 1
593 . 1 1 54 54 VAL CA C 13 57.961 0.400 . 1 . . . . 53 VAL CA . 11040 1
594 . 1 1 54 54 VAL HA H 1 4.732 0.020 . 1 . . . . 53 VAL HA . 11040 1
595 . 1 1 54 54 VAL CB C 13 34.166 0.400 . 1 . . . . 53 VAL CB . 11040 1
596 . 1 1 54 54 VAL HB H 1 1.789 0.020 . 1 . . . . 53 VAL HB . 11040 1
597 . 1 1 54 54 VAL HG11 H 1 1.173 0.020 . 2 . . . . 53 VAL HG1 . 11040 1
598 . 1 1 54 54 VAL HG12 H 1 1.173 0.020 . 2 . . . . 53 VAL HG1 . 11040 1
599 . 1 1 54 54 VAL HG13 H 1 1.173 0.020 . 2 . . . . 53 VAL HG1 . 11040 1
600 . 1 1 54 54 VAL HG21 H 1 0.816 0.020 . 2 . . . . 53 VAL HG2 . 11040 1
601 . 1 1 54 54 VAL HG22 H 1 0.816 0.020 . 2 . . . . 53 VAL HG2 . 11040 1
602 . 1 1 54 54 VAL HG23 H 1 0.816 0.020 . 2 . . . . 53 VAL HG2 . 11040 1
603 . 1 1 54 54 VAL CG1 C 13 23.429 0.400 . 1 . . . . 53 VAL CG1 . 11040 1
604 . 1 1 54 54 VAL CG2 C 13 20.833 0.400 . 1 . . . . 53 VAL CG2 . 11040 1
605 . 1 1 55 55 PRO CD C 13 48.381 0.400 . 1 . . . . 54 PRO CD . 11040 1
606 . 1 1 55 55 PRO CA C 13 62.033 0.400 . 1 . . . . 54 PRO CA . 11040 1
607 . 1 1 55 55 PRO HA H 1 3.142 0.020 . 1 . . . . 54 PRO HA . 11040 1
608 . 1 1 55 55 PRO CB C 13 31.911 0.400 . 1 . . . . 54 PRO CB . 11040 1
609 . 1 1 55 55 PRO HB2 H 1 1.343 0.020 . 2 . . . . 54 PRO HB2 . 11040 1
610 . 1 1 55 55 PRO HB3 H 1 0.763 0.020 . 2 . . . . 54 PRO HB3 . 11040 1
611 . 1 1 55 55 PRO CG C 13 27.027 0.400 . 1 . . . . 54 PRO CG . 11040 1
612 . 1 1 55 55 PRO HG2 H 1 1.257 0.020 . 2 . . . . 54 PRO HG2 . 11040 1
613 . 1 1 55 55 PRO HG3 H 1 0.462 0.020 . 2 . . . . 54 PRO HG3 . 11040 1
614 . 1 1 55 55 PRO HD2 H 1 2.196 0.020 . 2 . . . . 54 PRO HD2 . 11040 1
615 . 1 1 55 55 PRO HD3 H 1 1.943 0.020 . 2 . . . . 54 PRO HD3 . 11040 1
616 . 1 1 56 56 TYR N N 15 117.902 0.400 . 1 . . . . 55 TYR N . 11040 1
617 . 1 1 56 56 TYR H H 1 8.291 0.020 . 1 . . . . 55 TYR H . 11040 1
618 . 1 1 56 56 TYR CA C 13 59.501 0.400 . 1 . . . . 55 TYR CA . 11040 1
619 . 1 1 56 56 TYR HA H 1 2.901 0.020 . 1 . . . . 55 TYR HA . 11040 1
620 . 1 1 56 56 TYR CB C 13 34.376 0.400 . 1 . . . . 55 TYR CB . 11040 1
621 . 1 1 56 56 TYR HB2 H 1 2.294 0.020 . 2 . . . . 55 TYR HB2 . 11040 1
622 . 1 1 56 56 TYR HB3 H 1 1.505 0.020 . 2 . . . . 55 TYR HB3 . 11040 1
623 . 1 1 56 56 TYR CD1 C 13 133.714 0.400 . 1 . . . . 55 TYR CD1 . 11040 1
624 . 1 1 56 56 TYR HD1 H 1 7.187 0.020 . 1 . . . . 55 TYR HD1 . 11040 1
625 . 1 1 56 56 TYR CE1 C 13 118.040 0.400 . 1 . . . . 55 TYR CE1 . 11040 1
626 . 1 1 56 56 TYR HE1 H 1 6.764 0.020 . 1 . . . . 55 TYR HE1 . 11040 1
627 . 1 1 56 56 TYR CE2 C 13 118.040 0.400 . 1 . . . . 55 TYR CE2 . 11040 1
628 . 1 1 56 56 TYR HE2 H 1 6.764 0.020 . 1 . . . . 55 TYR HE2 . 11040 1
629 . 1 1 56 56 TYR CD2 C 13 133.714 0.400 . 1 . . . . 55 TYR CD2 . 11040 1
630 . 1 1 56 56 TYR HD2 H 1 7.187 0.020 . 1 . . . . 55 TYR HD2 . 11040 1
631 . 1 1 57 57 ASN N N 15 113.584 0.400 . 1 . . . . 56 ASN N . 11040 1
632 . 1 1 57 57 ASN H H 1 6.355 0.020 . 1 . . . . 56 ASN H . 11040 1
633 . 1 1 57 57 ASN CA C 13 52.966 0.400 . 1 . . . . 56 ASN CA . 11040 1
634 . 1 1 57 57 ASN HA H 1 3.804 0.020 . 1 . . . . 56 ASN HA . 11040 1
635 . 1 1 57 57 ASN CB C 13 35.574 0.400 . 1 . . . . 56 ASN CB . 11040 1
636 . 1 1 57 57 ASN HB2 H 1 2.683 0.020 . 2 . . . . 56 ASN HB2 . 11040 1
637 . 1 1 57 57 ASN HB3 H 1 1.252 0.020 . 2 . . . . 56 ASN HB3 . 11040 1
638 . 1 1 57 57 ASN ND2 N 15 108.219 0.400 . 1 . . . . 56 ASN ND2 . 11040 1
639 . 1 1 57 57 ASN HD21 H 1 7.310 0.020 . 2 . . . . 56 ASN HD21 . 11040 1
640 . 1 1 57 57 ASN HD22 H 1 6.895 0.020 . 2 . . . . 56 ASN HD22 . 11040 1
641 . 1 1 58 58 ILE N N 15 109.507 0.400 . 1 . . . . 57 ILE N . 11040 1
642 . 1 1 58 58 ILE H H 1 6.513 0.020 . 1 . . . . 57 ILE H . 11040 1
643 . 1 1 58 58 ILE CA C 13 60.894 0.400 . 1 . . . . 57 ILE CA . 11040 1
644 . 1 1 58 58 ILE HA H 1 4.697 0.020 . 1 . . . . 57 ILE HA . 11040 1
645 . 1 1 58 58 ILE CB C 13 38.296 0.400 . 1 . . . . 57 ILE CB . 11040 1
646 . 1 1 58 58 ILE HB H 1 2.429 0.020 . 1 . . . . 57 ILE HB . 11040 1
647 . 1 1 58 58 ILE HG21 H 1 0.533 0.020 . 1 . . . . 57 ILE HG2 . 11040 1
648 . 1 1 58 58 ILE HG22 H 1 0.533 0.020 . 1 . . . . 57 ILE HG2 . 11040 1
649 . 1 1 58 58 ILE HG23 H 1 0.533 0.020 . 1 . . . . 57 ILE HG2 . 11040 1
650 . 1 1 58 58 ILE CG2 C 13 16.596 0.400 . 1 . . . . 57 ILE CG2 . 11040 1
651 . 1 1 58 58 ILE CG1 C 13 24.170 0.400 . 1 . . . . 57 ILE CG1 . 11040 1
652 . 1 1 58 58 ILE HG12 H 1 1.328 0.020 . 2 . . . . 57 ILE HG12 . 11040 1
653 . 1 1 58 58 ILE HG13 H 1 1.138 0.020 . 2 . . . . 57 ILE HG13 . 11040 1
654 . 1 1 58 58 ILE HD11 H 1 0.735 0.020 . 1 . . . . 57 ILE HD1 . 11040 1
655 . 1 1 58 58 ILE HD12 H 1 0.735 0.020 . 1 . . . . 57 ILE HD1 . 11040 1
656 . 1 1 58 58 ILE HD13 H 1 0.735 0.020 . 1 . . . . 57 ILE HD1 . 11040 1
657 . 1 1 58 58 ILE CD1 C 13 15.418 0.400 . 1 . . . . 57 ILE CD1 . 11040 1
658 . 1 1 59 59 LEU N N 15 120.970 0.400 . 1 . . . . 58 LEU N . 11040 1
659 . 1 1 59 59 LEU H H 1 6.969 0.020 . 1 . . . . 58 LEU H . 11040 1
660 . 1 1 59 59 LEU CA C 13 53.456 0.400 . 1 . . . . 58 LEU CA . 11040 1
661 . 1 1 59 59 LEU HA H 1 5.351 0.020 . 1 . . . . 58 LEU HA . 11040 1
662 . 1 1 59 59 LEU CB C 13 44.120 0.400 . 1 . . . . 58 LEU CB . 11040 1
663 . 1 1 59 59 LEU HB2 H 1 1.674 0.020 . 2 . . . . 58 LEU HB2 . 11040 1
664 . 1 1 59 59 LEU HB3 H 1 1.115 0.020 . 2 . . . . 58 LEU HB3 . 11040 1
665 . 1 1 59 59 LEU CG C 13 26.205 0.400 . 1 . . . . 58 LEU CG . 11040 1
666 . 1 1 59 59 LEU HG H 1 1.498 0.020 . 1 . . . . 58 LEU HG . 11040 1
667 . 1 1 59 59 LEU HD11 H 1 0.694 0.020 . 2 . . . . 58 LEU HD1 . 11040 1
668 . 1 1 59 59 LEU HD12 H 1 0.694 0.020 . 2 . . . . 58 LEU HD1 . 11040 1
669 . 1 1 59 59 LEU HD13 H 1 0.694 0.020 . 2 . . . . 58 LEU HD1 . 11040 1
670 . 1 1 59 59 LEU HD21 H 1 0.694 0.020 . 2 . . . . 58 LEU HD2 . 11040 1
671 . 1 1 59 59 LEU HD22 H 1 0.694 0.020 . 2 . . . . 58 LEU HD2 . 11040 1
672 . 1 1 59 59 LEU HD23 H 1 0.694 0.020 . 2 . . . . 58 LEU HD2 . 11040 1
673 . 1 1 59 59 LEU CD1 C 13 22.974 0.400 . 1 . . . . 58 LEU CD1 . 11040 1
674 . 1 1 59 59 LEU CD2 C 13 22.837 0.400 . 1 . . . . 58 LEU CD2 . 11040 1
675 . 1 1 60 60 THR N N 15 115.292 0.400 . 1 . . . . 59 THR N . 11040 1
676 . 1 1 60 60 THR H H 1 8.781 0.020 . 1 . . . . 59 THR H . 11040 1
677 . 1 1 60 60 THR CA C 13 59.210 0.400 . 1 . . . . 59 THR CA . 11040 1
678 . 1 1 60 60 THR HA H 1 5.077 0.020 . 1 . . . . 59 THR HA . 11040 1
679 . 1 1 60 60 THR CB C 13 71.439 0.400 . 1 . . . . 59 THR CB . 11040 1
680 . 1 1 60 60 THR HB H 1 4.241 0.020 . 1 . . . . 59 THR HB . 11040 1
681 . 1 1 60 60 THR HG21 H 1 1.297 0.020 . 1 . . . . 59 THR HG2 . 11040 1
682 . 1 1 60 60 THR HG22 H 1 1.297 0.020 . 1 . . . . 59 THR HG2 . 11040 1
683 . 1 1 60 60 THR HG23 H 1 1.297 0.020 . 1 . . . . 59 THR HG2 . 11040 1
684 . 1 1 60 60 THR CG2 C 13 22.034 0.400 . 1 . . . . 59 THR CG2 . 11040 1
685 . 1 1 61 61 PRO CD C 13 51.686 0.400 . 1 . . . . 60 PRO CD . 11040 1
686 . 1 1 61 61 PRO CA C 13 64.799 0.400 . 1 . . . . 60 PRO CA . 11040 1
687 . 1 1 61 61 PRO HA H 1 4.684 0.020 . 1 . . . . 60 PRO HA . 11040 1
688 . 1 1 61 61 PRO CB C 13 32.714 0.400 . 1 . . . . 60 PRO CB . 11040 1
689 . 1 1 61 61 PRO HB2 H 1 2.615 0.020 . 2 . . . . 60 PRO HB2 . 11040 1
690 . 1 1 61 61 PRO HB3 H 1 1.977 0.020 . 2 . . . . 60 PRO HB3 . 11040 1
691 . 1 1 61 61 PRO CG C 13 28.202 0.400 . 1 . . . . 60 PRO CG . 11040 1
692 . 1 1 61 61 PRO HG2 H 1 2.255 0.020 . 2 . . . . 60 PRO HG2 . 11040 1
693 . 1 1 61 61 PRO HG3 H 1 2.147 0.020 . 2 . . . . 60 PRO HG3 . 11040 1
694 . 1 1 61 61 PRO HD2 H 1 4.062 0.020 . 2 . . . . 60 PRO HD2 . 11040 1
695 . 1 1 61 61 PRO HD3 H 1 3.829 0.020 . 2 . . . . 60 PRO HD3 . 11040 1
696 . 1 1 62 62 TYR N N 15 123.485 0.400 . 1 . . . . 61 TYR N . 11040 1
697 . 1 1 62 62 TYR H H 1 8.203 0.020 . 1 . . . . 61 TYR H . 11040 1
698 . 1 1 62 62 TYR CA C 13 54.852 0.400 . 1 . . . . 61 TYR CA . 11040 1
699 . 1 1 62 62 TYR HA H 1 4.777 0.020 . 1 . . . . 61 TYR HA . 11040 1
700 . 1 1 62 62 TYR CB C 13 42.210 0.400 . 1 . . . . 61 TYR CB . 11040 1
701 . 1 1 62 62 TYR HB2 H 1 2.925 0.020 . 2 . . . . 61 TYR HB2 . 11040 1
702 . 1 1 62 62 TYR HB3 H 1 2.749 0.020 . 2 . . . . 61 TYR HB3 . 11040 1
703 . 1 1 62 62 TYR CD1 C 13 133.367 0.400 . 1 . . . . 61 TYR CD1 . 11040 1
704 . 1 1 62 62 TYR HD1 H 1 7.050 0.020 . 1 . . . . 61 TYR HD1 . 11040 1
705 . 1 1 62 62 TYR CE1 C 13 118.913 0.400 . 1 . . . . 61 TYR CE1 . 11040 1
706 . 1 1 62 62 TYR HE1 H 1 6.801 0.020 . 1 . . . . 61 TYR HE1 . 11040 1
707 . 1 1 62 62 TYR CE2 C 13 118.367 0.400 . 1 . . . . 61 TYR CE2 . 11040 1
708 . 1 1 62 62 TYR HE2 H 1 6.801 0.020 . 1 . . . . 61 TYR HE2 . 11040 1
709 . 1 1 62 62 TYR CD2 C 13 133.602 0.400 . 1 . . . . 61 TYR CD2 . 11040 1
710 . 1 1 62 62 TYR HD2 H 1 7.050 0.020 . 1 . . . . 61 TYR HD2 . 11040 1
711 . 1 1 63 63 PRO CD C 13 51.025 0.400 . 1 . . . . 62 PRO CD . 11040 1
712 . 1 1 63 63 PRO CA C 13 63.738 0.400 . 1 . . . . 62 PRO CA . 11040 1
713 . 1 1 63 63 PRO HA H 1 4.490 0.020 . 1 . . . . 62 PRO HA . 11040 1
714 . 1 1 63 63 PRO CB C 13 31.778 0.400 . 1 . . . . 62 PRO CB . 11040 1
715 . 1 1 63 63 PRO HB2 H 1 2.162 0.020 . 2 . . . . 62 PRO HB2 . 11040 1
716 . 1 1 63 63 PRO HB3 H 1 1.965 0.020 . 2 . . . . 62 PRO HB3 . 11040 1
717 . 1 1 63 63 PRO CG C 13 26.988 0.400 . 1 . . . . 62 PRO CG . 11040 1
718 . 1 1 63 63 PRO HG2 H 1 1.908 0.020 . 2 . . . . 62 PRO HG2 . 11040 1
719 . 1 1 63 63 PRO HG3 H 1 1.840 0.020 . 2 . . . . 62 PRO HG3 . 11040 1
720 . 1 1 63 63 PRO HD2 H 1 3.777 0.020 . 2 . . . . 62 PRO HD2 . 11040 1
721 . 1 1 63 63 PRO HD3 H 1 3.122 0.020 . 2 . . . . 62 PRO HD3 . 11040 1
722 . 1 1 64 64 GLY N N 15 113.492 0.400 . 1 . . . . 63 GLY N . 11040 1
723 . 1 1 64 64 GLY H H 1 6.658 0.020 . 1 . . . . 63 GLY H . 11040 1
724 . 1 1 64 64 GLY CA C 13 46.086 0.400 . 1 . . . . 63 GLY CA . 11040 1
725 . 1 1 64 64 GLY HA2 H 1 3.651 0.020 . 2 . . . . 63 GLY HA2 . 11040 1
726 . 1 1 64 64 GLY HA3 H 1 3.470 0.020 . 2 . . . . 63 GLY HA3 . 11040 1
727 . 2 2 1 1 PRO HA H 1 4.640 0.020 . 1 . . . . 201 PRO HA . 11040 1
728 . 2 2 1 1 PRO HB2 H 1 2.602 0.020 . 2 . . . . 201 PRO HB2 . 11040 1
729 . 2 2 1 1 PRO HB3 H 1 2.101 0.020 . 2 . . . . 201 PRO HB3 . 11040 1
730 . 2 2 1 1 PRO HG2 H 1 2.006 0.020 . 2 . . . . 201 PRO HG2 . 11040 1
731 . 2 2 1 1 PRO HG3 H 1 2.006 0.020 . 2 . . . . 201 PRO HG3 . 11040 1
732 . 2 2 1 1 PRO HD2 H 1 3.465 0.020 . 2 . . . . 201 PRO HD2 . 11040 1
733 . 2 2 1 1 PRO HD3 H 1 3.428 0.020 . 2 . . . . 201 PRO HD3 . 11040 1
734 . 2 2 2 2 PRO HA H 1 4.476 0.020 . 1 . . . . 202 PRO HA . 11040 1
735 . 2 2 2 2 PRO HB2 H 1 2.303 0.020 . 2 . . . . 202 PRO HB2 . 11040 1
736 . 2 2 2 2 PRO HB3 H 1 1.830 0.020 . 2 . . . . 202 PRO HB3 . 11040 1
737 . 2 2 2 2 PRO HD2 H 1 3.652 0.020 . 2 . . . . 202 PRO HD2 . 11040 1
738 . 2 2 2 2 PRO HD3 H 1 3.451 0.020 . 2 . . . . 202 PRO HD3 . 11040 1
739 . 2 2 3 3 VAL HA H 1 4.444 0.020 . 1 . . . . 203 VAL HA . 11040 1
740 . 2 2 3 3 VAL HB H 1 2.180 0.020 . 1 . . . . 203 VAL HB . 11040 1
741 . 2 2 3 3 VAL HG11 H 1 1.204 0.020 . 2 . . . . 203 VAL HG1 . 11040 1
742 . 2 2 3 3 VAL HG12 H 1 1.204 0.020 . 2 . . . . 203 VAL HG1 . 11040 1
743 . 2 2 3 3 VAL HG13 H 1 1.204 0.020 . 2 . . . . 203 VAL HG1 . 11040 1
744 . 2 2 3 3 VAL HG21 H 1 1.161 0.020 . 2 . . . . 203 VAL HG2 . 11040 1
745 . 2 2 3 3 VAL HG22 H 1 1.161 0.020 . 2 . . . . 203 VAL HG2 . 11040 1
746 . 2 2 3 3 VAL HG23 H 1 1.161 0.020 . 2 . . . . 203 VAL HG2 . 11040 1
747 . 2 2 4 4 PRO HA H 1 4.472 0.020 . 1 . . . . 204 PRO HA . 11040 1
748 . 2 2 4 4 PRO HB2 H 1 2.301 0.020 . 2 . . . . 204 PRO HB2 . 11040 1
749 . 2 2 4 4 PRO HB3 H 1 1.913 0.020 . 2 . . . . 204 PRO HB3 . 11040 1
750 . 2 2 4 4 PRO HG2 H 1 1.994 0.020 . 2 . . . . 204 PRO HG2 . 11040 1
751 . 2 2 4 4 PRO HG3 H 1 1.994 0.020 . 2 . . . . 204 PRO HG3 . 11040 1
752 . 2 2 4 4 PRO HD3 H 1 3.879 0.020 . 2 . . . . 204 PRO HD3 . 11040 1
753 . 2 2 5 5 ASN HA H 1 4.842 0.020 . 1 . . . . 205 ASN HA . 11040 1
754 . 2 2 5 5 ASN HB2 H 1 2.817 0.020 . 2 . . . . 205 ASN HB2 . 11040 1
755 . 2 2 5 5 ASN HB3 H 1 2.748 0.020 . 2 . . . . 205 ASN HB3 . 11040 1
756 . 2 2 6 6 PRO HD2 H 1 3.618 0.020 . 2 . . . . 206 PRO HD2 . 11040 1
757 . 2 2 7 7 ASP HA H 1 4.516 0.020 . 1 . . . . 207 ASP HA . 11040 1
758 . 2 2 7 7 ASP HB2 H 1 2.578 0.020 . 2 . . . . 207 ASP HB2 . 11040 1
759 . 2 2 7 7 ASP HB3 H 1 2.578 0.020 . 2 . . . . 207 ASP HB3 . 11040 1
760 . 2 2 8 8 TYR HB2 H 1 3.070 0.020 . 2 . . . . 208 TYR HB2 . 11040 1
761 . 2 2 8 8 TYR HB3 H 1 3.015 0.020 . 2 . . . . 208 TYR HB3 . 11040 1
762 . 2 2 8 8 TYR HD1 H 1 7.073 0.020 . 1 . . . . 208 TYR HD1 . 11040 1
763 . 2 2 8 8 TYR HE1 H 1 6.814 0.020 . 1 . . . . 208 TYR HE1 . 11040 1
764 . 2 2 8 8 TYR HE2 H 1 6.814 0.020 . 1 . . . . 208 TYR HE2 . 11040 1
765 . 2 2 8 8 TYR HD2 H 1 7.073 0.020 . 1 . . . . 208 TYR HD2 . 11040 1
766 . 2 2 9 9 GLU HA H 1 4.591 0.020 . 1 . . . . 209 GLU HA . 11040 1
767 . 2 2 9 9 GLU HB2 H 1 2.028 0.020 . 2 . . . . 209 GLU HB2 . 11040 1
768 . 2 2 9 9 GLU HB3 H 1 1.905 0.020 . 2 . . . . 209 GLU HB3 . 11040 1
769 . 2 2 9 9 GLU HG2 H 1 2.282 0.020 . 2 . . . . 209 GLU HG2 . 11040 1
770 . 2 2 9 9 GLU HG3 H 1 2.282 0.020 . 2 . . . . 209 GLU HG3 . 11040 1
771 . 2 2 10 10 PRO HA H 1 4.454 0.020 . 1 . . . . 210 PRO HA . 11040 1
772 . 2 2 10 10 PRO HB2 H 1 2.317 0.020 . 2 . . . . 210 PRO HB2 . 11040 1
773 . 2 2 10 10 PRO HB3 H 1 1.920 0.020 . 2 . . . . 210 PRO HB3 . 11040 1
774 . 2 2 10 10 PRO HG2 H 1 2.012 0.020 . 2 . . . . 210 PRO HG2 . 11040 1
775 . 2 2 10 10 PRO HG3 H 1 2.012 0.020 . 2 . . . . 210 PRO HG3 . 11040 1
776 . 2 2 10 10 PRO HD2 H 1 3.665 0.020 . 2 . . . . 210 PRO HD2 . 11040 1
777 . 2 2 10 10 PRO HD3 H 1 3.841 0.020 . 2 . . . . 210 PRO HD3 . 11040 1
778 . 2 2 11 11 ILE H H 1 8.336 0.020 . 1 . . . . 211 ILE H . 11040 1
779 . 2 2 11 11 ILE HA H 1 4.151 0.020 . 1 . . . . 211 ILE HA . 11040 1
780 . 2 2 11 11 ILE HB H 1 1.926 0.020 . 1 . . . . 211 ILE HB . 11040 1
781 . 2 2 11 11 ILE HG21 H 1 1.015 0.020 . 1 . . . . 211 ILE HG2 . 11040 1
782 . 2 2 11 11 ILE HG22 H 1 1.015 0.020 . 1 . . . . 211 ILE HG2 . 11040 1
783 . 2 2 11 11 ILE HG23 H 1 1.015 0.020 . 1 . . . . 211 ILE HG2 . 11040 1
784 . 2 2 11 11 ILE HG12 H 1 1.636 0.020 . 2 . . . . 211 ILE HG12 . 11040 1
785 . 2 2 11 11 ILE HG13 H 1 1.298 0.020 . 2 . . . . 211 ILE HG13 . 11040 1
786 . 2 2 11 11 ILE HD11 H 1 0.979 0.020 . 1 . . . . 211 ILE HD1 . 11040 1
787 . 2 2 11 11 ILE HD12 H 1 0.979 0.020 . 1 . . . . 211 ILE HD1 . 11040 1
788 . 2 2 11 11 ILE HD13 H 1 0.979 0.020 . 1 . . . . 211 ILE HD1 . 11040 1
789 . 2 2 12 12 ARG H H 1 7.946 0.020 . 1 . . . . 212 ARG H . 11040 1
790 . 2 2 12 12 ARG HA H 1 4.245 0.020 . 1 . . . . 212 ARG HA . 11040 1
791 . 2 2 12 12 ARG HB2 H 1 1.906 0.020 . 2 . . . . 212 ARG HB2 . 11040 1
792 . 2 2 12 12 ARG HB3 H 1 1.743 0.020 . 2 . . . . 212 ARG HB3 . 11040 1
793 . 2 2 12 12 ARG HG2 H 1 1.605 0.020 . 2 . . . . 212 ARG HG2 . 11040 1
794 . 2 2 12 12 ARG HG3 H 1 1.605 0.020 . 2 . . . . 212 ARG HG3 . 11040 1
795 . 2 2 12 12 ARG HD2 H 1 3.228 0.020 . 2 . . . . 212 ARG HD2 . 11040 1
796 . 2 2 12 12 ARG HD3 H 1 3.228 0.020 . 2 . . . . 212 ARG HD3 . 11040 1
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