data_6108
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 6108
_Entry.Title
;
Solution structure of GlgS protein from E. coli
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2004-02-20
_Entry.Accession_date 2004-02-23
_Entry.Last_release_date 2004-06-30
_Entry.Original_release_date 2004-06-30
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 2.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 G. Kozlov . . . 6108
2 K. Gehring . . . 6108
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 6108
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 424 6108
'13C chemical shifts' 188 6108
'15N chemical shifts' 63 6108
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 . . 2004-06-30 2004-02-20 original author . 6108
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 6108
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 15161493
_Citation.Full_citation .
_Citation.Title 'Structure of GlgS from Escherichia coli suggests a role in protein-protein interactions'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'BMC Biol.'
_Citation.Journal_name_full .
_Citation.Journal_volume 2
_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 10
_Citation.Page_last 10
_Citation.Year 2004
_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 G. Kozlov . . . 6108 1
2 D. Elias . . . 6108 1
3 M. Cygler . . . 6108 1
4 K. Gehring . . . 6108 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'all-helical domain' 6108 1
'Structural Genomics' 6108 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_glgS
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_glgS
_Assembly.Entry_ID 6108
_Assembly.ID 1
_Assembly.Name 'Glycogen synthesis protein glgS'
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'all free'
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Assembly_type.Type
_Assembly_type.Entry_ID
_Assembly_type.Assembly_ID
monomer 6108 1
stop_
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 glgS 1 $glgS . . . native . . . . . 6108 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
. PDB 1RRZ . . . . . . 6108 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
'Glycogen synthesis protein glgS' system 6108 1
glgS abbreviation 6108 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_glgS
_Entity.Sf_category entity
_Entity.Sf_framecode glgS
_Entity.Entry_ID 6108
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name glgS
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MGSSHHHHHHSSGLVPRGSH
MDHSLNSLNNFDFLARSFAR
MHAEGRPVDILAVTGNMDEE
HRTWFCARYAWYCQQMMQAR
ELELEH
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 86
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'all free'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-01-28
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 1RRZ . "Solution Structure Of Glgs Protein From E. Coli" . . . . . 100.00 86 100.00 100.00 1.97e-56 . . . . 6108 1
2 no DBJ BAA16577 . "predicted glycogen synthesis protein [Escherichia coli str. K-12 substr. W3110]" . . . . . 76.74 66 100.00 100.00 1.77e-41 . . . . 6108 1
3 no DBJ BAB37354 . "glycogen biosynthesis protein GlgS [Escherichia coli O157:H7 str. Sakai]" . . . . . 76.74 66 98.48 98.48 6.18e-41 . . . . 6108 1
4 no DBJ BAG78852 . "glycogen biosynthesis protein [Escherichia coli SE11]" . . . . . 76.74 66 100.00 100.00 1.77e-41 . . . . 6108 1
5 no DBJ BAI27331 . "predicted glycogen synthesis protein [Escherichia coli O26:H11 str. 11368]" . . . . . 76.74 66 100.00 100.00 1.77e-41 . . . . 6108 1
6 no DBJ BAI32446 . "predicted glycogen synthesis protein [Escherichia coli O103:H2 str. 12009]" . . . . . 76.74 66 100.00 100.00 1.77e-41 . . . . 6108 1
7 no EMBL CAA77940 . "GlgS [Escherichia coli K-12]" . . . . . 76.74 66 100.00 100.00 1.77e-41 . . . . 6108 1
8 no EMBL CAP77523 . "glycogen synthesis protein glgS [Escherichia coli LF82]" . . . . . 76.74 66 98.48 98.48 6.18e-41 . . . . 6108 1
9 no EMBL CAQ33386 . "predicted glycogen synthesis protein [Escherichia coli BL21(DE3)]" . . . . . 76.74 66 100.00 100.00 1.77e-41 . . . . 6108 1
10 no EMBL CAR00010 . "putative glycogen synthesis protein [Escherichia coli IAI1]" . . . . . 76.74 66 100.00 100.00 1.77e-41 . . . . 6108 1
11 no EMBL CAR04675 . "putative glycogen synthesis protein [Escherichia coli S88]" . . . . . 76.74 66 98.48 98.48 6.18e-41 . . . . 6108 1
12 no GB AAC76085 . "motility and biofilm regulator [Escherichia coli str. K-12 substr. MG1655]" . . . . . 76.74 66 100.00 100.00 1.77e-41 . . . . 6108 1
13 no GB AAG58183 . "glycogen biosynthesis, rpoS dependent [Escherichia coli O157:H7 str. EDL933]" . . . . . 76.74 68 98.48 98.48 6.51e-41 . . . . 6108 1
14 no GB AAN44566 . "glycogen biosynthesis protein GlgS [Shigella flexneri 2a str. 301]" . . . . . 76.74 66 98.48 100.00 7.76e-41 . . . . 6108 1
15 no GB AAN82242 . "Glycogen synthesis protein glgS [Escherichia coli CFT073]" . . . . . 76.74 68 98.48 98.48 6.51e-41 . . . . 6108 1
16 no GB AAP18379 . "glycogen biosynthesis protein GlgS [Shigella flexneri 2a str. 2457T]" . . . . . 76.74 66 98.48 100.00 7.76e-41 . . . . 6108 1
17 no REF NP_289624 . "glycogen synthesis protein GlgS [Escherichia coli O157:H7 str. EDL933]" . . . . . 76.74 68 98.48 98.48 6.51e-41 . . . . 6108 1
18 no REF NP_311958 . "glycogen synthesis protein GlgS [Escherichia coli O157:H7 str. Sakai]" . . . . . 76.74 66 98.48 98.48 6.18e-41 . . . . 6108 1
19 no REF NP_417521 . "motility and biofilm regulator [Escherichia coli str. K-12 substr. MG1655]" . . . . . 76.74 66 100.00 100.00 1.77e-41 . . . . 6108 1
20 no REF NP_708859 . "glycogen synthesis protein GlgS [Shigella flexneri 2a str. 301]" . . . . . 76.74 66 98.48 100.00 7.76e-41 . . . . 6108 1
21 no REF NP_755668 . "glycogen synthesis protein GlgS [Escherichia coli CFT073]" . . . . . 76.74 68 98.48 98.48 6.51e-41 . . . . 6108 1
22 no SP A7ZRT0 . "RecName: Full=Glycogen synthesis protein GlgS [Escherichia coli E24377A]" . . . . . 76.74 66 100.00 100.00 1.77e-41 . . . . 6108 1
23 no SP A8A4K4 . "RecName: Full=Glycogen synthesis protein GlgS [Escherichia coli HS]" . . . . . 76.74 66 100.00 100.00 1.77e-41 . . . . 6108 1
24 no SP B1IRR7 . "RecName: Full=Glycogen synthesis protein GlgS [Escherichia coli ATCC 8739]" . . . . . 76.74 66 100.00 100.00 1.77e-41 . . . . 6108 1
25 no SP B1LF40 . "RecName: Full=Glycogen synthesis protein GlgS [Escherichia coli SMS-3-5]" . . . . . 76.74 66 98.48 98.48 6.18e-41 . . . . 6108 1
26 no SP B1XG54 . "RecName: Full=Glycogen synthesis protein GlgS [Escherichia coli str. K-12 substr. DH10B]" . . . . . 76.74 66 100.00 100.00 1.77e-41 . . . . 6108 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
glgS common 6108 1
glgS abbreviation 6108 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 -20 MET . 6108 1
2 -19 GLY . 6108 1
3 -18 SER . 6108 1
4 -17 SER . 6108 1
5 -16 HIS . 6108 1
6 -15 HIS . 6108 1
7 -14 HIS . 6108 1
8 -13 HIS . 6108 1
9 -12 HIS . 6108 1
10 -11 HIS . 6108 1
11 -10 SER . 6108 1
12 -9 SER . 6108 1
13 -8 GLY . 6108 1
14 -7 LEU . 6108 1
15 -6 VAL . 6108 1
16 -5 PRO . 6108 1
17 -4 ARG . 6108 1
18 -3 GLY . 6108 1
19 -2 SER . 6108 1
20 -1 HIS . 6108 1
21 1 MET . 6108 1
22 2 ASP . 6108 1
23 3 HIS . 6108 1
24 4 SER . 6108 1
25 5 LEU . 6108 1
26 6 ASN . 6108 1
27 7 SER . 6108 1
28 8 LEU . 6108 1
29 9 ASN . 6108 1
30 10 ASN . 6108 1
31 11 PHE . 6108 1
32 12 ASP . 6108 1
33 13 PHE . 6108 1
34 14 LEU . 6108 1
35 15 ALA . 6108 1
36 16 ARG . 6108 1
37 17 SER . 6108 1
38 18 PHE . 6108 1
39 19 ALA . 6108 1
40 20 ARG . 6108 1
41 21 MET . 6108 1
42 22 HIS . 6108 1
43 23 ALA . 6108 1
44 24 GLU . 6108 1
45 25 GLY . 6108 1
46 26 ARG . 6108 1
47 27 PRO . 6108 1
48 28 VAL . 6108 1
49 29 ASP . 6108 1
50 30 ILE . 6108 1
51 31 LEU . 6108 1
52 32 ALA . 6108 1
53 33 VAL . 6108 1
54 34 THR . 6108 1
55 35 GLY . 6108 1
56 36 ASN . 6108 1
57 37 MET . 6108 1
58 38 ASP . 6108 1
59 39 GLU . 6108 1
60 40 GLU . 6108 1
61 41 HIS . 6108 1
62 42 ARG . 6108 1
63 43 THR . 6108 1
64 44 TRP . 6108 1
65 45 PHE . 6108 1
66 46 CYS . 6108 1
67 47 ALA . 6108 1
68 48 ARG . 6108 1
69 49 TYR . 6108 1
70 50 ALA . 6108 1
71 51 TRP . 6108 1
72 52 TYR . 6108 1
73 53 CYS . 6108 1
74 54 GLN . 6108 1
75 55 GLN . 6108 1
76 56 MET . 6108 1
77 57 MET . 6108 1
78 58 GLN . 6108 1
79 59 ALA . 6108 1
80 60 ARG . 6108 1
81 61 GLU . 6108 1
82 62 LEU . 6108 1
83 63 GLU . 6108 1
84 64 LEU . 6108 1
85 65 GLU . 6108 1
86 66 HIS . 6108 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
. MET 1 1 6108 1
. GLY 2 2 6108 1
. SER 3 3 6108 1
. SER 4 4 6108 1
. HIS 5 5 6108 1
. HIS 6 6 6108 1
. HIS 7 7 6108 1
. HIS 8 8 6108 1
. HIS 9 9 6108 1
. HIS 10 10 6108 1
. SER 11 11 6108 1
. SER 12 12 6108 1
. GLY 13 13 6108 1
. LEU 14 14 6108 1
. VAL 15 15 6108 1
. PRO 16 16 6108 1
. ARG 17 17 6108 1
. GLY 18 18 6108 1
. SER 19 19 6108 1
. HIS 20 20 6108 1
. MET 21 21 6108 1
. ASP 22 22 6108 1
. HIS 23 23 6108 1
. SER 24 24 6108 1
. LEU 25 25 6108 1
. ASN 26 26 6108 1
. SER 27 27 6108 1
. LEU 28 28 6108 1
. ASN 29 29 6108 1
. ASN 30 30 6108 1
. PHE 31 31 6108 1
. ASP 32 32 6108 1
. PHE 33 33 6108 1
. LEU 34 34 6108 1
. ALA 35 35 6108 1
. ARG 36 36 6108 1
. SER 37 37 6108 1
. PHE 38 38 6108 1
. ALA 39 39 6108 1
. ARG 40 40 6108 1
. MET 41 41 6108 1
. HIS 42 42 6108 1
. ALA 43 43 6108 1
. GLU 44 44 6108 1
. GLY 45 45 6108 1
. ARG 46 46 6108 1
. PRO 47 47 6108 1
. VAL 48 48 6108 1
. ASP 49 49 6108 1
. ILE 50 50 6108 1
. LEU 51 51 6108 1
. ALA 52 52 6108 1
. VAL 53 53 6108 1
. THR 54 54 6108 1
. GLY 55 55 6108 1
. ASN 56 56 6108 1
. MET 57 57 6108 1
. ASP 58 58 6108 1
. GLU 59 59 6108 1
. GLU 60 60 6108 1
. HIS 61 61 6108 1
. ARG 62 62 6108 1
. THR 63 63 6108 1
. TRP 64 64 6108 1
. PHE 65 65 6108 1
. CYS 66 66 6108 1
. ALA 67 67 6108 1
. ARG 68 68 6108 1
. TYR 69 69 6108 1
. ALA 70 70 6108 1
. TRP 71 71 6108 1
. TYR 72 72 6108 1
. CYS 73 73 6108 1
. GLN 74 74 6108 1
. GLN 75 75 6108 1
. MET 76 76 6108 1
. MET 77 77 6108 1
. GLN 78 78 6108 1
. ALA 79 79 6108 1
. ARG 80 80 6108 1
. GLU 81 81 6108 1
. LEU 82 82 6108 1
. GLU 83 83 6108 1
. LEU 84 84 6108 1
. GLU 85 85 6108 1
. HIS 86 86 6108 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 6108
_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 $glgS . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6108 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 6108
_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 $glgS . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6108 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 6108
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 glgS '[U-13C; U-15N]' . . 1 $glgS . . 1 . . mM . . . . 6108 1
2 'potassium phosphate' . . . . . . . 5 . . mM . . . . 6108 1
3 DTT . . . . . . . 1 . . mM . . . . 6108 1
4 'sodium azide' . . . . . . . 0.1 . . mM . . . . 6108 1
5 H2O . . . . . . . 90 . . % . . . . 6108 1
6 D2O . . . . . . . 10 . . % . . . . 6108 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 6108
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 glgS . . . 1 $glgS . . 1 . . mM . . . . 6108 2
2 'potassium phosphate' . . . . . . . 5 . . mM . . . . 6108 2
3 DTT . . . . . . . 1 . . mM . . . . 6108 2
4 'sodium azide' . . . . . . . 0.1 . . mM . . . . 6108 2
5 H2O . . . . . . . 90 . . % . . . . 6108 2
6 D2O . . . . . . . 10 . . % . . . . 6108 2
stop_
save_
save_sample_3
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3
_Sample.Entry_ID 6108
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 glgS . . . 1 $glgS . . 1 . . mM . . . . 6108 3
2 'potassium phosphate' . . . . . . . 5 . . mM . . . . 6108 3
3 DTT . . . . . . . 1 . . mM . . . . 6108 3
4 'sodium azide' . . . . . . . 0.1 . . mM . . . . 6108 3
5 D2O . . . . . . . 100 . . % . . . . 6108 3
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_cond_1
_Sample_condition_list.Entry_ID 6108
_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 6.7 0.1 n/a 6108 1
temperature 298 0.5 K 6108 1
'ionic strength' 5 . mM 6108 1
pressure 1 . atm 6108 1
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Software.Sf_category software
_Software.Sf_framecode XWINNMR
_Software.Entry_ID 6108
_Software.ID 1
_Software.Name XWINNMR
_Software.Version 2.1
_Software.Details 'Bruker Biospin'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 6108 1
processing 6108 1
stop_
save_
save_XEASY
_Software.Sf_category software
_Software.Sf_framecode XEASY
_Software.Entry_ID 6108
_Software.ID 2
_Software.Name XEASY
_Software.Version 1.3.13
_Software.Details Wuthrich
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 6108 2
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 6108
_Software.ID 3
_Software.Name CYANA
_Software.Version 1.0.6
_Software.Details Guentert
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 6108 3
stop_
save_
save_Xplor-NIH
_Software.Sf_category software
_Software.Sf_framecode Xplor-NIH
_Software.Entry_ID 6108
_Software.ID 4
_Software.Name Xplor-NIH
_Software.Version 2.9.2
_Software.Details Clore
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 6108 4
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer
_NMR_spectrometer.Entry_ID 6108
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AVANCE
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 6108
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 NMR_spectrometer Bruker AVANCE . 500 . . . 6108 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 6108
_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 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6108 1
2 '2D NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6108 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference
_Chem_shift_reference.Entry_ID 6108
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6108 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6108 1
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6108 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6108
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_1 . 6108 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 22 22 ASP CA C 13 54.1 0.20 . 1 . . . . . . . . 6108 1
2 . 1 1 22 22 ASP HA H 1 4.65 0.01 . 1 . . . . . . . . 6108 1
3 . 1 1 22 22 ASP CB C 13 41.3 0.20 . 1 . . . . . . . . 6108 1
4 . 1 1 22 22 ASP HB2 H 1 2.63 0.01 . 2 . . . . . . . . 6108 1
5 . 1 1 22 22 ASP HB3 H 1 2.77 0.01 . 2 . . . . . . . . 6108 1
6 . 1 1 22 22 ASP C C 13 175.7 0.20 . 1 . . . . . . . . 6108 1
7 . 1 1 23 23 HIS N N 15 122.5 0.25 . 1 . . . . . . . . 6108 1
8 . 1 1 23 23 HIS H H 1 8.50 0.01 . 1 . . . . . . . . 6108 1
9 . 1 1 23 23 HIS CA C 13 56.4 0.20 . 1 . . . . . . . . 6108 1
10 . 1 1 23 23 HIS HA H 1 4.63 0.01 . 1 . . . . . . . . 6108 1
11 . 1 1 23 23 HIS CB C 13 30.1 0.20 . 1 . . . . . . . . 6108 1
12 . 1 1 23 23 HIS HB2 H 1 3.04 0.01 . 2 . . . . . . . . 6108 1
13 . 1 1 23 23 HIS HB3 H 1 3.26 0.01 . 2 . . . . . . . . 6108 1
14 . 1 1 23 23 HIS HD2 H 1 8.00 0.01 . 1 . . . . . . . . 6108 1
15 . 1 1 23 23 HIS HE1 H 1 7.08 0.01 . 1 . . . . . . . . 6108 1
16 . 1 1 23 23 HIS C C 13 175.4 0.20 . 1 . . . . . . . . 6108 1
17 . 1 1 24 24 SER N N 15 117.7 0.25 . 1 . . . . . . . . 6108 1
18 . 1 1 24 24 SER H H 1 8.49 0.01 . 1 . . . . . . . . 6108 1
19 . 1 1 24 24 SER CA C 13 59.1 0.20 . 1 . . . . . . . . 6108 1
20 . 1 1 24 24 SER HA H 1 4.38 0.01 . 1 . . . . . . . . 6108 1
21 . 1 1 24 24 SER CB C 13 63.8 0.20 . 1 . . . . . . . . 6108 1
22 . 1 1 24 24 SER HB2 H 1 3.96 0.01 . 1 . . . . . . . . 6108 1
23 . 1 1 24 24 SER HB3 H 1 3.96 0.01 . 1 . . . . . . . . 6108 1
24 . 1 1 24 24 SER C C 13 174.9 0.20 . 1 . . . . . . . . 6108 1
25 . 1 1 25 25 LEU N N 15 124.3 0.25 . 1 . . . . . . . . 6108 1
26 . 1 1 25 25 LEU H H 1 8.31 0.01 . 1 . . . . . . . . 6108 1
27 . 1 1 25 25 LEU CA C 13 56.3 0.20 . 1 . . . . . . . . 6108 1
28 . 1 1 25 25 LEU HA H 1 4.20 0.01 . 1 . . . . . . . . 6108 1
29 . 1 1 25 25 LEU CB C 13 41.7 0.20 . 1 . . . . . . . . 6108 1
30 . 1 1 25 25 LEU HB2 H 1 1.59 0.01 . 1 . . . . . . . . 6108 1
31 . 1 1 25 25 LEU HB3 H 1 1.59 0.01 . 1 . . . . . . . . 6108 1
32 . 1 1 25 25 LEU HG H 1 1.59 0.01 . 1 . . . . . . . . 6108 1
33 . 1 1 25 25 LEU HD11 H 1 0.79 0.01 . 2 . . . . . . . . 6108 1
34 . 1 1 25 25 LEU HD12 H 1 0.79 0.01 . 2 . . . . . . . . 6108 1
35 . 1 1 25 25 LEU HD13 H 1 0.79 0.01 . 2 . . . . . . . . 6108 1
36 . 1 1 25 25 LEU HD21 H 1 0.87 0.01 . 2 . . . . . . . . 6108 1
37 . 1 1 25 25 LEU HD22 H 1 0.87 0.01 . 2 . . . . . . . . 6108 1
38 . 1 1 25 25 LEU HD23 H 1 0.87 0.01 . 2 . . . . . . . . 6108 1
39 . 1 1 25 25 LEU C C 13 177.6 0.20 . 1 . . . . . . . . 6108 1
40 . 1 1 26 26 ASN N N 15 118.5 0.25 . 1 . . . . . . . . 6108 1
41 . 1 1 26 26 ASN H H 1 8.35 0.01 . 1 . . . . . . . . 6108 1
42 . 1 1 26 26 ASN CA C 13 54.3 0.20 . 1 . . . . . . . . 6108 1
43 . 1 1 26 26 ASN HA H 1 4.63 0.01 . 1 . . . . . . . . 6108 1
44 . 1 1 26 26 ASN CB C 13 38.5 0.20 . 1 . . . . . . . . 6108 1
45 . 1 1 26 26 ASN HB2 H 1 2.80 0.01 . 1 . . . . . . . . 6108 1
46 . 1 1 26 26 ASN HB3 H 1 2.80 0.01 . 1 . . . . . . . . 6108 1
47 . 1 1 26 26 ASN HD21 H 1 6.97 0.01 . 2 . . . . . . . . 6108 1
48 . 1 1 26 26 ASN HD22 H 1 7.68 0.01 . 2 . . . . . . . . 6108 1
49 . 1 1 26 26 ASN C C 13 176.0 0.20 . 1 . . . . . . . . 6108 1
50 . 1 1 27 27 SER N N 15 116.1 0.25 . 1 . . . . . . . . 6108 1
51 . 1 1 27 27 SER H H 1 8.03 0.01 . 1 . . . . . . . . 6108 1
52 . 1 1 27 27 SER CA C 13 59.6 0.20 . 1 . . . . . . . . 6108 1
53 . 1 1 27 27 SER HA H 1 4.34 0.01 . 1 . . . . . . . . 6108 1
54 . 1 1 27 27 SER CB C 13 63.5 0.20 . 1 . . . . . . . . 6108 1
55 . 1 1 27 27 SER HB2 H 1 3.91 0.01 . 1 . . . . . . . . 6108 1
56 . 1 1 27 27 SER HB3 H 1 3.91 0.01 . 1 . . . . . . . . 6108 1
57 . 1 1 27 27 SER C C 13 175.6 0.20 . 1 . . . . . . . . 6108 1
58 . 1 1 28 28 LEU N N 15 123.1 0.25 . 1 . . . . . . . . 6108 1
59 . 1 1 28 28 LEU H H 1 8.25 0.01 . 1 . . . . . . . . 6108 1
60 . 1 1 28 28 LEU CA C 13 57.1 0.20 . 1 . . . . . . . . 6108 1
61 . 1 1 28 28 LEU HA H 1 4.20 0.01 . 1 . . . . . . . . 6108 1
62 . 1 1 28 28 LEU CB C 13 41.3 0.20 . 1 . . . . . . . . 6108 1
63 . 1 1 28 28 LEU HB2 H 1 1.36 0.01 . 2 . . . . . . . . 6108 1
64 . 1 1 28 28 LEU HB3 H 1 1.58 0.01 . 2 . . . . . . . . 6108 1
65 . 1 1 28 28 LEU HG H 1 1.46 0.01 . 1 . . . . . . . . 6108 1
66 . 1 1 28 28 LEU HD11 H 1 0.33 0.01 . 2 . . . . . . . . 6108 1
67 . 1 1 28 28 LEU HD12 H 1 0.33 0.01 . 2 . . . . . . . . 6108 1
68 . 1 1 28 28 LEU HD13 H 1 0.33 0.01 . 2 . . . . . . . . 6108 1
69 . 1 1 28 28 LEU HD21 H 1 0.47 0.01 . 2 . . . . . . . . 6108 1
70 . 1 1 28 28 LEU HD22 H 1 0.47 0.01 . 2 . . . . . . . . 6108 1
71 . 1 1 28 28 LEU HD23 H 1 0.47 0.01 . 2 . . . . . . . . 6108 1
72 . 1 1 28 28 LEU C C 13 178.4 0.20 . 1 . . . . . . . . 6108 1
73 . 1 1 29 29 ASN N N 15 118.7 0.25 . 1 . . . . . . . . 6108 1
74 . 1 1 29 29 ASN H H 1 8.30 0.01 . 1 . . . . . . . . 6108 1
75 . 1 1 29 29 ASN CA C 13 55.7 0.20 . 1 . . . . . . . . 6108 1
76 . 1 1 29 29 ASN HA H 1 4.36 0.01 . 1 . . . . . . . . 6108 1
77 . 1 1 29 29 ASN CB C 13 38.2 0.20 . 1 . . . . . . . . 6108 1
78 . 1 1 29 29 ASN HB2 H 1 2.87 0.01 . 1 . . . . . . . . 6108 1
79 . 1 1 29 29 ASN HB3 H 1 2.87 0.01 . 1 . . . . . . . . 6108 1
80 . 1 1 29 29 ASN HD21 H 1 6.93 0.01 . 2 . . . . . . . . 6108 1
81 . 1 1 29 29 ASN HD22 H 1 7.71 0.01 . 2 . . . . . . . . 6108 1
82 . 1 1 30 30 ASN N N 15 119.5 0.25 . 1 . . . . . . . . 6108 1
83 . 1 1 30 30 ASN H H 1 8.28 0.01 . 1 . . . . . . . . 6108 1
84 . 1 1 30 30 ASN CA C 13 55.7 0.20 . 1 . . . . . . . . 6108 1
85 . 1 1 30 30 ASN HA H 1 4.70 0.01 . 1 . . . . . . . . 6108 1
86 . 1 1 30 30 ASN CB C 13 38.1 0.20 . 1 . . . . . . . . 6108 1
87 . 1 1 30 30 ASN HB2 H 1 2.79 0.01 . 2 . . . . . . . . 6108 1
88 . 1 1 30 30 ASN HB3 H 1 2.78 0.01 . 2 . . . . . . . . 6108 1
89 . 1 1 30 30 ASN HD21 H 1 6.96 0.01 . 2 . . . . . . . . 6108 1
90 . 1 1 30 30 ASN HD22 H 1 7.67 0.01 . 2 . . . . . . . . 6108 1
91 . 1 1 30 30 ASN C C 13 178.3 0.20 . 1 . . . . . . . . 6108 1
92 . 1 1 31 31 PHE N N 15 119.8 0.25 . 1 . . . . . . . . 6108 1
93 . 1 1 31 31 PHE H H 1 8.24 0.01 . 1 . . . . . . . . 6108 1
94 . 1 1 31 31 PHE CA C 13 61.7 0.20 . 1 . . . . . . . . 6108 1
95 . 1 1 31 31 PHE HA H 1 4.67 0.01 . 1 . . . . . . . . 6108 1
96 . 1 1 31 31 PHE CB C 13 39.5 0.20 . 1 . . . . . . . . 6108 1
97 . 1 1 31 31 PHE HB2 H 1 3.51 0.01 . 2 . . . . . . . . 6108 1
98 . 1 1 31 31 PHE HB3 H 1 3.65 0.01 . 2 . . . . . . . . 6108 1
99 . 1 1 31 31 PHE HD1 H 1 7.38 0.01 . 3 . . . . . . . . 6108 1
100 . 1 1 31 31 PHE HE1 H 1 7.23 0.01 . 3 . . . . . . . . 6108 1
101 . 1 1 31 31 PHE C C 13 177.9 0.20 . 1 . . . . . . . . 6108 1
102 . 1 1 32 32 ASP N N 15 122.3 0.25 . 1 . . . . . . . . 6108 1
103 . 1 1 32 32 ASP H H 1 8.93 0.01 . 1 . . . . . . . . 6108 1
104 . 1 1 32 32 ASP CA C 13 59.1 0.20 . 1 . . . . . . . . 6108 1
105 . 1 1 32 32 ASP HA H 1 4.77 0.01 . 1 . . . . . . . . 6108 1
106 . 1 1 32 32 ASP CB C 13 43.0 0.20 . 1 . . . . . . . . 6108 1
107 . 1 1 32 32 ASP HB2 H 1 3.23 0.01 . 1 . . . . . . . . 6108 1
108 . 1 1 32 32 ASP HB3 H 1 3.23 0.01 . 1 . . . . . . . . 6108 1
109 . 1 1 32 32 ASP C C 13 177.2 0.20 . 1 . . . . . . . . 6108 1
110 . 1 1 33 33 PHE N N 15 118.8 0.25 . 1 . . . . . . . . 6108 1
111 . 1 1 33 33 PHE H H 1 8.25 0.01 . 1 . . . . . . . . 6108 1
112 . 1 1 33 33 PHE CA C 13 61.2 0.20 . 1 . . . . . . . . 6108 1
113 . 1 1 33 33 PHE HA H 1 4.28 0.01 . 1 . . . . . . . . 6108 1
114 . 1 1 33 33 PHE CB C 13 38.7 0.20 . 1 . . . . . . . . 6108 1
115 . 1 1 33 33 PHE HB2 H 1 3.30 0.01 . 2 . . . . . . . . 6108 1
116 . 1 1 33 33 PHE HB3 H 1 3.43 0.01 . 2 . . . . . . . . 6108 1
117 . 1 1 33 33 PHE HD1 H 1 7.26 0.01 . 3 . . . . . . . . 6108 1
118 . 1 1 33 33 PHE HE1 H 1 7.21 0.01 . 3 . . . . . . . . 6108 1
119 . 1 1 33 33 PHE C C 13 179.0 0.20 . 1 . . . . . . . . 6108 1
120 . 1 1 34 34 LEU N N 15 122.7 0.25 . 1 . . . . . . . . 6108 1
121 . 1 1 34 34 LEU H H 1 8.25 0.01 . 1 . . . . . . . . 6108 1
122 . 1 1 34 34 LEU CA C 13 58.1 0.20 . 1 . . . . . . . . 6108 1
123 . 1 1 34 34 LEU HA H 1 3.91 0.01 . 1 . . . . . . . . 6108 1
124 . 1 1 34 34 LEU CB C 13 42.4 0.20 . 1 . . . . . . . . 6108 1
125 . 1 1 34 34 LEU HB2 H 1 1.93 0.01 . 2 . . . . . . . . 6108 1
126 . 1 1 34 34 LEU HB3 H 1 2.10 0.01 . 2 . . . . . . . . 6108 1
127 . 1 1 34 34 LEU HG H 1 1.78 0.01 . 1 . . . . . . . . 6108 1
128 . 1 1 34 34 LEU HD11 H 1 0.73 0.01 . 2 . . . . . . . . 6108 1
129 . 1 1 34 34 LEU HD12 H 1 0.73 0.01 . 2 . . . . . . . . 6108 1
130 . 1 1 34 34 LEU HD13 H 1 0.73 0.01 . 2 . . . . . . . . 6108 1
131 . 1 1 34 34 LEU HD21 H 1 0.78 0.01 . 2 . . . . . . . . 6108 1
132 . 1 1 34 34 LEU HD22 H 1 0.78 0.01 . 2 . . . . . . . . 6108 1
133 . 1 1 34 34 LEU HD23 H 1 0.78 0.01 . 2 . . . . . . . . 6108 1
134 . 1 1 34 34 LEU C C 13 177.9 0.20 . 1 . . . . . . . . 6108 1
135 . 1 1 35 35 ALA N N 15 123.2 0.25 . 1 . . . . . . . . 6108 1
136 . 1 1 35 35 ALA H H 1 8.61 0.01 . 1 . . . . . . . . 6108 1
137 . 1 1 35 35 ALA CA C 13 56.5 0.20 . 1 . . . . . . . . 6108 1
138 . 1 1 35 35 ALA HA H 1 4.01 0.01 . 1 . . . . . . . . 6108 1
139 . 1 1 35 35 ALA HB1 H 1 1.38 0.01 . 1 . . . . . . . . 6108 1
140 . 1 1 35 35 ALA HB2 H 1 1.38 0.01 . 1 . . . . . . . . 6108 1
141 . 1 1 35 35 ALA HB3 H 1 1.38 0.01 . 1 . . . . . . . . 6108 1
142 . 1 1 35 35 ALA CB C 13 17.0 0.20 . 1 . . . . . . . . 6108 1
143 . 1 1 35 35 ALA C C 13 179.0 0.20 . 1 . . . . . . . . 6108 1
144 . 1 1 36 36 ARG N N 15 119.1 0.25 . 1 . . . . . . . . 6108 1
145 . 1 1 36 36 ARG H H 1 8.33 0.01 . 1 . . . . . . . . 6108 1
146 . 1 1 36 36 ARG CA C 13 59.8 0.20 . 1 . . . . . . . . 6108 1
147 . 1 1 36 36 ARG HA H 1 3.13 0.01 . 1 . . . . . . . . 6108 1
148 . 1 1 36 36 ARG CB C 13 30.1 0.20 . 1 . . . . . . . . 6108 1
149 . 1 1 36 36 ARG HB2 H 1 1.43 0.01 . 1 . . . . . . . . 6108 1
150 . 1 1 36 36 ARG HB3 H 1 1.43 0.01 . 1 . . . . . . . . 6108 1
151 . 1 1 36 36 ARG HG2 H 1 0.78 0.01 . 2 . . . . . . . . 6108 1
152 . 1 1 36 36 ARG HG3 H 1 1.08 0.01 . 2 . . . . . . . . 6108 1
153 . 1 1 36 36 ARG HD2 H 1 2.98 0.01 . 1 . . . . . . . . 6108 1
154 . 1 1 36 36 ARG HD3 H 1 2.98 0.01 . 1 . . . . . . . . 6108 1
155 . 1 1 36 36 ARG C C 13 178.4 0.20 . 1 . . . . . . . . 6108 1
156 . 1 1 37 37 SER N N 15 116.5 0.25 . 1 . . . . . . . . 6108 1
157 . 1 1 37 37 SER H H 1 8.05 0.01 . 1 . . . . . . . . 6108 1
158 . 1 1 37 37 SER CA C 13 62.3 0.20 . 1 . . . . . . . . 6108 1
159 . 1 1 37 37 SER HA H 1 4.06 0.01 . 1 . . . . . . . . 6108 1
160 . 1 1 37 37 SER CB C 13 62.7 0.20 . 1 . . . . . . . . 6108 1
161 . 1 1 37 37 SER HB2 H 1 3.63 0.01 . 2 . . . . . . . . 6108 1
162 . 1 1 37 37 SER HB3 H 1 3.83 0.01 . 2 . . . . . . . . 6108 1
163 . 1 1 37 37 SER C C 13 177.2 0.20 . 1 . . . . . . . . 6108 1
164 . 1 1 38 38 PHE N N 15 121.8 0.25 . 1 . . . . . . . . 6108 1
165 . 1 1 38 38 PHE H H 1 8.68 0.01 . 1 . . . . . . . . 6108 1
166 . 1 1 38 38 PHE CA C 13 60.7 0.20 . 1 . . . . . . . . 6108 1
167 . 1 1 38 38 PHE HA H 1 4.71 0.01 . 1 . . . . . . . . 6108 1
168 . 1 1 38 38 PHE CB C 13 38.1 0.20 . 1 . . . . . . . . 6108 1
169 . 1 1 38 38 PHE HB2 H 1 3.33 0.01 . 1 . . . . . . . . 6108 1
170 . 1 1 38 38 PHE HB3 H 1 3.33 0.01 . 1 . . . . . . . . 6108 1
171 . 1 1 38 38 PHE HZ H 1 7.02 0.01 . 1 . . . . . . . . 6108 1
172 . 1 1 38 38 PHE HD1 H 1 7.38 0.01 . 3 . . . . . . . . 6108 1
173 . 1 1 38 38 PHE HE1 H 1 7.31 0.01 . 3 . . . . . . . . 6108 1
174 . 1 1 38 38 PHE C C 13 178.6 0.20 . 1 . . . . . . . . 6108 1
175 . 1 1 39 39 ALA N N 15 126.0 0.25 . 1 . . . . . . . . 6108 1
176 . 1 1 39 39 ALA H H 1 8.68 0.01 . 1 . . . . . . . . 6108 1
177 . 1 1 39 39 ALA CA C 13 55.7 0.20 . 1 . . . . . . . . 6108 1
178 . 1 1 39 39 ALA HA H 1 4.40 0.01 . 1 . . . . . . . . 6108 1
179 . 1 1 39 39 ALA HB1 H 1 1.56 0.01 . 1 . . . . . . . . 6108 1
180 . 1 1 39 39 ALA HB2 H 1 1.56 0.01 . 1 . . . . . . . . 6108 1
181 . 1 1 39 39 ALA HB3 H 1 1.56 0.01 . 1 . . . . . . . . 6108 1
182 . 1 1 39 39 ALA CB C 13 19.8 0.20 . 1 . . . . . . . . 6108 1
183 . 1 1 39 39 ALA C C 13 179.1 0.20 . 1 . . . . . . . . 6108 1
184 . 1 1 40 40 ARG N N 15 120.2 0.25 . 1 . . . . . . . . 6108 1
185 . 1 1 40 40 ARG H H 1 8.16 0.01 . 1 . . . . . . . . 6108 1
186 . 1 1 40 40 ARG CA C 13 59.3 0.20 . 1 . . . . . . . . 6108 1
187 . 1 1 40 40 ARG HA H 1 4.08 0.01 . 1 . . . . . . . . 6108 1
188 . 1 1 40 40 ARG CB C 13 29.2 0.20 . 1 . . . . . . . . 6108 1
189 . 1 1 40 40 ARG HB2 H 1 1.89 0.01 . 2 . . . . . . . . 6108 1
190 . 1 1 40 40 ARG HB3 H 1 2.06 0.01 . 2 . . . . . . . . 6108 1
191 . 1 1 40 40 ARG HG2 H 1 1.58 0.01 . 2 . . . . . . . . 6108 1
192 . 1 1 40 40 ARG HG3 H 1 1.68 0.01 . 2 . . . . . . . . 6108 1
193 . 1 1 40 40 ARG HD2 H 1 3.23 0.01 . 1 . . . . . . . . 6108 1
194 . 1 1 40 40 ARG HD3 H 1 3.23 0.01 . 1 . . . . . . . . 6108 1
195 . 1 1 40 40 ARG C C 13 178.2 0.20 . 1 . . . . . . . . 6108 1
196 . 1 1 41 41 MET N N 15 118.1 0.25 . 1 . . . . . . . . 6108 1
197 . 1 1 41 41 MET H H 1 7.65 0.01 . 1 . . . . . . . . 6108 1
198 . 1 1 41 41 MET CA C 13 59.6 0.20 . 1 . . . . . . . . 6108 1
199 . 1 1 41 41 MET HA H 1 4.08 0.01 . 1 . . . . . . . . 6108 1
200 . 1 1 41 41 MET CB C 13 32.5 0.20 . 1 . . . . . . . . 6108 1
201 . 1 1 41 41 MET HB2 H 1 2.05 0.01 . 2 . . . . . . . . 6108 1
202 . 1 1 41 41 MET HB3 H 1 2.04 0.01 . 2 . . . . . . . . 6108 1
203 . 1 1 41 41 MET HG2 H 1 2.43 0.01 . 2 . . . . . . . . 6108 1
204 . 1 1 41 41 MET HG3 H 1 2.53 0.01 . 2 . . . . . . . . 6108 1
205 . 1 1 41 41 MET C C 13 177.8 0.20 . 1 . . . . . . . . 6108 1
206 . 1 1 42 42 HIS N N 15 120.3 0.25 . 1 . . . . . . . . 6108 1
207 . 1 1 42 42 HIS H H 1 8.39 0.01 . 1 . . . . . . . . 6108 1
208 . 1 1 42 42 HIS CA C 13 59.9 0.20 . 1 . . . . . . . . 6108 1
209 . 1 1 42 42 HIS HA H 1 4.40 0.01 . 1 . . . . . . . . 6108 1
210 . 1 1 42 42 HIS CB C 13 29.7 0.20 . 1 . . . . . . . . 6108 1
211 . 1 1 42 42 HIS HB2 H 1 3.63 0.01 . 2 . . . . . . . . 6108 1
212 . 1 1 42 42 HIS HB3 H 1 3.73 0.01 . 2 . . . . . . . . 6108 1
213 . 1 1 42 42 HIS HD2 H 1 8.00 0.01 . 1 . . . . . . . . 6108 1
214 . 1 1 42 42 HIS HE1 H 1 6.03 0.01 . 1 . . . . . . . . 6108 1
215 . 1 1 42 42 HIS C C 13 179.5 0.20 . 1 . . . . . . . . 6108 1
216 . 1 1 43 43 ALA N N 15 125.1 0.25 . 1 . . . . . . . . 6108 1
217 . 1 1 43 43 ALA H H 1 8.80 0.01 . 1 . . . . . . . . 6108 1
218 . 1 1 43 43 ALA CA C 13 55.1 0.20 . 1 . . . . . . . . 6108 1
219 . 1 1 43 43 ALA HA H 1 4.13 0.01 . 1 . . . . . . . . 6108 1
220 . 1 1 43 43 ALA HB1 H 1 1.58 0.01 . 1 . . . . . . . . 6108 1
221 . 1 1 43 43 ALA HB2 H 1 1.58 0.01 . 1 . . . . . . . . 6108 1
222 . 1 1 43 43 ALA HB3 H 1 1.58 0.01 . 1 . . . . . . . . 6108 1
223 . 1 1 43 43 ALA CB C 13 18.3 0.20 . 1 . . . . . . . . 6108 1
224 . 1 1 43 43 ALA C C 13 179.0 0.20 . 1 . . . . . . . . 6108 1
225 . 1 1 44 44 GLU N N 15 116.0 0.25 . 1 . . . . . . . . 6108 1
226 . 1 1 44 44 GLU H H 1 7.72 0.01 . 1 . . . . . . . . 6108 1
227 . 1 1 44 44 GLU CA C 13 56.3 0.20 . 1 . . . . . . . . 6108 1
228 . 1 1 44 44 GLU HA H 1 4.29 0.01 . 1 . . . . . . . . 6108 1
229 . 1 1 44 44 GLU CB C 13 29.8 0.20 . 1 . . . . . . . . 6108 1
230 . 1 1 44 44 GLU HB2 H 1 2.13 0.01 . 1 . . . . . . . . 6108 1
231 . 1 1 44 44 GLU HB3 H 1 2.13 0.01 . 1 . . . . . . . . 6108 1
232 . 1 1 44 44 GLU HG2 H 1 2.30 0.01 . 2 . . . . . . . . 6108 1
233 . 1 1 44 44 GLU HG3 H 1 2.56 0.01 . 2 . . . . . . . . 6108 1
234 . 1 1 44 44 GLU C C 13 176.6 0.20 . 1 . . . . . . . . 6108 1
235 . 1 1 45 45 GLY N N 15 108.2 0.25 . 1 . . . . . . . . 6108 1
236 . 1 1 45 45 GLY H H 1 7.93 0.01 . 1 . . . . . . . . 6108 1
237 . 1 1 45 45 GLY CA C 13 45.3 0.20 . 1 . . . . . . . . 6108 1
238 . 1 1 45 45 GLY HA2 H 1 4.21 0.01 . 2 . . . . . . . . 6108 1
239 . 1 1 45 45 GLY HA3 H 1 3.73 0.01 . 2 . . . . . . . . 6108 1
240 . 1 1 45 45 GLY C C 13 174.4 0.20 . 1 . . . . . . . . 6108 1
241 . 1 1 46 46 ARG N N 15 121.4 0.25 . 1 . . . . . . . . 6108 1
242 . 1 1 46 46 ARG H H 1 8.08 0.01 . 1 . . . . . . . . 6108 1
243 . 1 1 46 46 ARG CA C 13 53.2 0.20 . 1 . . . . . . . . 6108 1
244 . 1 1 46 46 ARG HA H 1 4.73 0.01 . 1 . . . . . . . . 6108 1
245 . 1 1 46 46 ARG HB2 H 1 1.53 0.01 . 2 . . . . . . . . 6108 1
246 . 1 1 46 46 ARG HB3 H 1 1.68 0.01 . 2 . . . . . . . . 6108 1
247 . 1 1 46 46 ARG HG2 H 1 1.83 0.01 . 1 . . . . . . . . 6108 1
248 . 1 1 46 46 ARG HG3 H 1 1.83 0.01 . 1 . . . . . . . . 6108 1
249 . 1 1 46 46 ARG HD2 H 1 3.20 0.01 . 1 . . . . . . . . 6108 1
250 . 1 1 46 46 ARG HD3 H 1 3.20 0.01 . 1 . . . . . . . . 6108 1
251 . 1 1 47 47 PRO CA C 13 63.1 0.20 . 1 . . . . . . . . 6108 1
252 . 1 1 47 47 PRO HA H 1 4.53 0.01 . 1 . . . . . . . . 6108 1
253 . 1 1 47 47 PRO CB C 13 31.7 0.20 . 1 . . . . . . . . 6108 1
254 . 1 1 47 47 PRO HB2 H 1 2.03 0.01 . 2 . . . . . . . . 6108 1
255 . 1 1 47 47 PRO HB3 H 1 2.23 0.01 . 2 . . . . . . . . 6108 1
256 . 1 1 47 47 PRO HG2 H 1 2.15 0.01 . 1 . . . . . . . . 6108 1
257 . 1 1 47 47 PRO HG3 H 1 2.15 0.01 . 1 . . . . . . . . 6108 1
258 . 1 1 47 47 PRO HD2 H 1 3.63 0.01 . 2 . . . . . . . . 6108 1
259 . 1 1 47 47 PRO HD3 H 1 3.75 0.01 . 2 . . . . . . . . 6108 1
260 . 1 1 47 47 PRO C C 13 176.8 0.20 . 1 . . . . . . . . 6108 1
261 . 1 1 48 48 VAL N N 15 121.4 0.25 . 1 . . . . . . . . 6108 1
262 . 1 1 48 48 VAL H H 1 8.38 0.01 . 1 . . . . . . . . 6108 1
263 . 1 1 48 48 VAL CA C 13 61.3 0.20 . 1 . . . . . . . . 6108 1
264 . 1 1 48 48 VAL HA H 1 4.16 0.01 . 1 . . . . . . . . 6108 1
265 . 1 1 48 48 VAL CB C 13 34.7 0.20 . 1 . . . . . . . . 6108 1
266 . 1 1 48 48 VAL HB H 1 1.98 0.01 . 1 . . . . . . . . 6108 1
267 . 1 1 48 48 VAL HG11 H 1 0.67 0.01 . 2 . . . . . . . . 6108 1
268 . 1 1 48 48 VAL HG12 H 1 0.67 0.01 . 2 . . . . . . . . 6108 1
269 . 1 1 48 48 VAL HG13 H 1 0.67 0.01 . 2 . . . . . . . . 6108 1
270 . 1 1 48 48 VAL HG21 H 1 0.93 0.01 . 2 . . . . . . . . 6108 1
271 . 1 1 48 48 VAL HG22 H 1 0.93 0.01 . 2 . . . . . . . . 6108 1
272 . 1 1 48 48 VAL HG23 H 1 0.93 0.01 . 2 . . . . . . . . 6108 1
273 . 1 1 48 48 VAL C C 13 174.7 0.20 . 1 . . . . . . . . 6108 1
274 . 1 1 49 49 ASP N N 15 126.1 0.25 . 1 . . . . . . . . 6108 1
275 . 1 1 49 49 ASP H H 1 8.47 0.01 . 1 . . . . . . . . 6108 1
276 . 1 1 49 49 ASP CA C 13 52.3 0.20 . 1 . . . . . . . . 6108 1
277 . 1 1 49 49 ASP HA H 1 4.78 0.01 . 1 . . . . . . . . 6108 1
278 . 1 1 49 49 ASP CB C 13 40.3 0.20 . 1 . . . . . . . . 6108 1
279 . 1 1 49 49 ASP HB2 H 1 2.50 0.01 . 2 . . . . . . . . 6108 1
280 . 1 1 49 49 ASP HB3 H 1 2.90 0.01 . 2 . . . . . . . . 6108 1
281 . 1 1 49 49 ASP C C 13 176.2 0.20 . 1 . . . . . . . . 6108 1
282 . 1 1 50 50 ILE N N 15 125.1 0.25 . 1 . . . . . . . . 6108 1
283 . 1 1 50 50 ILE H H 1 8.21 0.01 . 1 . . . . . . . . 6108 1
284 . 1 1 50 50 ILE CA C 13 61.3 0.20 . 1 . . . . . . . . 6108 1
285 . 1 1 50 50 ILE HA H 1 3.70 0.01 . 1 . . . . . . . . 6108 1
286 . 1 1 50 50 ILE CB C 13 38.1 0.20 . 1 . . . . . . . . 6108 1
287 . 1 1 50 50 ILE HB H 1 1.63 0.01 . 1 . . . . . . . . 6108 1
288 . 1 1 50 50 ILE HG21 H 1 0.78 0.01 . 1 . . . . . . . . 6108 1
289 . 1 1 50 50 ILE HG22 H 1 0.78 0.01 . 1 . . . . . . . . 6108 1
290 . 1 1 50 50 ILE HG23 H 1 0.78 0.01 . 1 . . . . . . . . 6108 1
291 . 1 1 50 50 ILE HG12 H 1 1.31 0.01 . 2 . . . . . . . . 6108 1
292 . 1 1 50 50 ILE HG13 H 1 1.13 0.01 . 2 . . . . . . . . 6108 1
293 . 1 1 50 50 ILE HD11 H 1 0.28 0.01 . 1 . . . . . . . . 6108 1
294 . 1 1 50 50 ILE HD12 H 1 0.28 0.01 . 1 . . . . . . . . 6108 1
295 . 1 1 50 50 ILE HD13 H 1 0.28 0.01 . 1 . . . . . . . . 6108 1
296 . 1 1 50 50 ILE C C 13 177.5 0.20 . 1 . . . . . . . . 6108 1
297 . 1 1 51 51 LEU N N 15 123.6 0.25 . 1 . . . . . . . . 6108 1
298 . 1 1 51 51 LEU H H 1 8.02 0.01 . 1 . . . . . . . . 6108 1
299 . 1 1 51 51 LEU CA C 13 57.3 0.20 . 1 . . . . . . . . 6108 1
300 . 1 1 51 51 LEU HA H 1 4.06 0.01 . 1 . . . . . . . . 6108 1
301 . 1 1 51 51 LEU CB C 13 40.3 0.20 . 1 . . . . . . . . 6108 1
302 . 1 1 51 51 LEU HB2 H 1 1.49 0.01 . 2 . . . . . . . . 6108 1
303 . 1 1 51 51 LEU HB3 H 1 1.86 0.01 . 2 . . . . . . . . 6108 1
304 . 1 1 51 51 LEU HG H 1 1.65 0.01 . 1 . . . . . . . . 6108 1
305 . 1 1 51 51 LEU HD11 H 1 0.83 0.01 . 2 . . . . . . . . 6108 1
306 . 1 1 51 51 LEU HD12 H 1 0.83 0.01 . 2 . . . . . . . . 6108 1
307 . 1 1 51 51 LEU HD13 H 1 0.83 0.01 . 2 . . . . . . . . 6108 1
308 . 1 1 51 51 LEU HD21 H 1 0.96 0.01 . 2 . . . . . . . . 6108 1
309 . 1 1 51 51 LEU HD22 H 1 0.96 0.01 . 2 . . . . . . . . 6108 1
310 . 1 1 51 51 LEU HD23 H 1 0.96 0.01 . 2 . . . . . . . . 6108 1
311 . 1 1 51 51 LEU C C 13 179.4 0.20 . 1 . . . . . . . . 6108 1
312 . 1 1 52 52 ALA N N 15 122.5 0.25 . 1 . . . . . . . . 6108 1
313 . 1 1 52 52 ALA H H 1 7.46 0.01 . 1 . . . . . . . . 6108 1
314 . 1 1 52 52 ALA CA C 13 54.3 0.20 . 1 . . . . . . . . 6108 1
315 . 1 1 52 52 ALA HA H 1 4.10 0.01 . 1 . . . . . . . . 6108 1
316 . 1 1 52 52 ALA HB1 H 1 1.38 0.01 . 1 . . . . . . . . 6108 1
317 . 1 1 52 52 ALA HB2 H 1 1.38 0.01 . 1 . . . . . . . . 6108 1
318 . 1 1 52 52 ALA HB3 H 1 1.38 0.01 . 1 . . . . . . . . 6108 1
319 . 1 1 52 52 ALA CB C 13 18.3 0.20 . 1 . . . . . . . . 6108 1
320 . 1 1 52 52 ALA C C 13 180.4 0.20 . 1 . . . . . . . . 6108 1
321 . 1 1 53 53 VAL N N 15 115.0 0.25 . 1 . . . . . . . . 6108 1
322 . 1 1 53 53 VAL H H 1 7.61 0.01 . 1 . . . . . . . . 6108 1
323 . 1 1 53 53 VAL CA C 13 64.2 0.20 . 1 . . . . . . . . 6108 1
324 . 1 1 53 53 VAL HA H 1 3.93 0.01 . 1 . . . . . . . . 6108 1
325 . 1 1 53 53 VAL CB C 13 32.3 0.20 . 1 . . . . . . . . 6108 1
326 . 1 1 53 53 VAL HB H 1 1.97 0.01 . 1 . . . . . . . . 6108 1
327 . 1 1 53 53 VAL HG11 H 1 0.56 0.01 . 2 . . . . . . . . 6108 1
328 . 1 1 53 53 VAL HG12 H 1 0.56 0.01 . 2 . . . . . . . . 6108 1
329 . 1 1 53 53 VAL HG13 H 1 0.56 0.01 . 2 . . . . . . . . 6108 1
330 . 1 1 53 53 VAL HG21 H 1 0.66 0.01 . 2 . . . . . . . . 6108 1
331 . 1 1 53 53 VAL HG22 H 1 0.66 0.01 . 2 . . . . . . . . 6108 1
332 . 1 1 53 53 VAL HG23 H 1 0.66 0.01 . 2 . . . . . . . . 6108 1
333 . 1 1 53 53 VAL C C 13 177.5 0.20 . 1 . . . . . . . . 6108 1
334 . 1 1 54 54 THR N N 15 107.8 0.25 . 1 . . . . . . . . 6108 1
335 . 1 1 54 54 THR H H 1 7.64 0.01 . 1 . . . . . . . . 6108 1
336 . 1 1 54 54 THR CA C 13 62.4 0.20 . 1 . . . . . . . . 6108 1
337 . 1 1 54 54 THR HA H 1 4.23 0.01 . 1 . . . . . . . . 6108 1
338 . 1 1 54 54 THR CB C 13 70.1 0.20 . 1 . . . . . . . . 6108 1
339 . 1 1 54 54 THR HB H 1 4.38 0.01 . 1 . . . . . . . . 6108 1
340 . 1 1 54 54 THR HG21 H 1 1.20 0.01 . 1 . . . . . . . . 6108 1
341 . 1 1 54 54 THR HG22 H 1 1.20 0.01 . 1 . . . . . . . . 6108 1
342 . 1 1 54 54 THR HG23 H 1 1.20 0.01 . 1 . . . . . . . . 6108 1
343 . 1 1 54 54 THR C C 13 177.1 0.20 . 1 . . . . . . . . 6108 1
344 . 1 1 55 55 GLY N N 15 110.8 0.25 . 1 . . . . . . . . 6108 1
345 . 1 1 55 55 GLY H H 1 7.80 0.01 . 1 . . . . . . . . 6108 1
346 . 1 1 55 55 GLY CA C 13 47.3 0.20 . 1 . . . . . . . . 6108 1
347 . 1 1 55 55 GLY HA2 H 1 3.91 0.01 . 1 . . . . . . . . 6108 1
348 . 1 1 55 55 GLY HA3 H 1 3.91 0.01 . 1 . . . . . . . . 6108 1
349 . 1 1 55 55 GLY C C 13 174.0 0.20 . 1 . . . . . . . . 6108 1
350 . 1 1 56 56 ASN N N 15 116.6 0.25 . 1 . . . . . . . . 6108 1
351 . 1 1 56 56 ASN H H 1 8.05 0.01 . 1 . . . . . . . . 6108 1
352 . 1 1 56 56 ASN CA C 13 52.5 0.20 . 1 . . . . . . . . 6108 1
353 . 1 1 56 56 ASN HA H 1 4.93 0.01 . 1 . . . . . . . . 6108 1
354 . 1 1 56 56 ASN CB C 13 38.8 0.20 . 1 . . . . . . . . 6108 1
355 . 1 1 56 56 ASN HB2 H 1 2.66 0.01 . 2 . . . . . . . . 6108 1
356 . 1 1 56 56 ASN HB3 H 1 2.89 0.01 . 2 . . . . . . . . 6108 1
357 . 1 1 56 56 ASN HD21 H 1 6.93 0.01 . 2 . . . . . . . . 6108 1
358 . 1 1 56 56 ASN HD22 H 1 7.54 0.01 . 2 . . . . . . . . 6108 1
359 . 1 1 56 56 ASN C C 13 175.0 0.20 . 1 . . . . . . . . 6108 1
360 . 1 1 57 57 MET N N 15 119.6 0.25 . 1 . . . . . . . . 6108 1
361 . 1 1 57 57 MET H H 1 7.42 0.01 . 1 . . . . . . . . 6108 1
362 . 1 1 57 57 MET CA C 13 55.8 0.20 . 1 . . . . . . . . 6108 1
363 . 1 1 57 57 MET HA H 1 4.53 0.01 . 1 . . . . . . . . 6108 1
364 . 1 1 57 57 MET CB C 13 35.1 0.20 . 1 . . . . . . . . 6108 1
365 . 1 1 57 57 MET HB2 H 1 2.03 0.01 . 1 . . . . . . . . 6108 1
366 . 1 1 57 57 MET HB3 H 1 2.03 0.01 . 1 . . . . . . . . 6108 1
367 . 1 1 57 57 MET HG2 H 1 2.48 0.01 . 1 . . . . . . . . 6108 1
368 . 1 1 57 57 MET HG3 H 1 2.48 0.01 . 1 . . . . . . . . 6108 1
369 . 1 1 57 57 MET C C 13 175.7 0.20 . 1 . . . . . . . . 6108 1
370 . 1 1 58 58 ASP N N 15 121.2 0.25 . 1 . . . . . . . . 6108 1
371 . 1 1 58 58 ASP H H 1 8.49 0.01 . 1 . . . . . . . . 6108 1
372 . 1 1 58 58 ASP CA C 13 53.3 0.20 . 1 . . . . . . . . 6108 1
373 . 1 1 58 58 ASP HA H 1 4.65 0.01 . 1 . . . . . . . . 6108 1
374 . 1 1 58 58 ASP CB C 13 40.6 0.20 . 1 . . . . . . . . 6108 1
375 . 1 1 58 58 ASP HB2 H 1 2.83 0.01 . 2 . . . . . . . . 6108 1
376 . 1 1 58 58 ASP HB3 H 1 3.18 0.01 . 2 . . . . . . . . 6108 1
377 . 1 1 58 58 ASP C C 13 175.8 0.20 . 1 . . . . . . . . 6108 1
378 . 1 1 59 59 GLU N N 15 121.6 0.25 . 1 . . . . . . . . 6108 1
379 . 1 1 59 59 GLU H H 1 8.77 0.01 . 1 . . . . . . . . 6108 1
380 . 1 1 59 59 GLU CA C 13 60.5 0.20 . 1 . . . . . . . . 6108 1
381 . 1 1 59 59 GLU HA H 1 3.95 0.01 . 1 . . . . . . . . 6108 1
382 . 1 1 59 59 GLU CB C 13 29.6 0.20 . 1 . . . . . . . . 6108 1
383 . 1 1 59 59 GLU HB2 H 1 2.06 0.01 . 2 . . . . . . . . 6108 1
384 . 1 1 59 59 GLU HB3 H 1 2.16 0.01 . 2 . . . . . . . . 6108 1
385 . 1 1 59 59 GLU HG2 H 1 2.36 0.01 . 1 . . . . . . . . 6108 1
386 . 1 1 59 59 GLU HG3 H 1 2.36 0.01 . 1 . . . . . . . . 6108 1
387 . 1 1 59 59 GLU C C 13 178.6 0.20 . 1 . . . . . . . . 6108 1
388 . 1 1 60 60 GLU N N 15 120.0 0.25 . 1 . . . . . . . . 6108 1
389 . 1 1 60 60 GLU H H 1 8.79 0.01 . 1 . . . . . . . . 6108 1
390 . 1 1 60 60 GLU CA C 13 59.7 0.20 . 1 . . . . . . . . 6108 1
391 . 1 1 60 60 GLU HA H 1 4.07 0.01 . 1 . . . . . . . . 6108 1
392 . 1 1 60 60 GLU CB C 13 29.3 0.20 . 1 . . . . . . . . 6108 1
393 . 1 1 60 60 GLU HB2 H 1 1.88 0.01 . 1 . . . . . . . . 6108 1
394 . 1 1 60 60 GLU HB3 H 1 1.88 0.01 . 1 . . . . . . . . 6108 1
395 . 1 1 60 60 GLU HG2 H 1 2.06 0.01 . 2 . . . . . . . . 6108 1
396 . 1 1 60 60 GLU HG3 H 1 2.23 0.01 . 2 . . . . . . . . 6108 1
397 . 1 1 60 60 GLU C C 13 179.4 0.20 . 1 . . . . . . . . 6108 1
398 . 1 1 61 61 HIS N N 15 118.3 0.25 . 1 . . . . . . . . 6108 1
399 . 1 1 61 61 HIS H H 1 8.30 0.01 . 1 . . . . . . . . 6108 1
400 . 1 1 61 61 HIS CA C 13 60.7 0.20 . 1 . . . . . . . . 6108 1
401 . 1 1 61 61 HIS HA H 1 4.35 0.01 . 1 . . . . . . . . 6108 1
402 . 1 1 61 61 HIS CB C 13 28.7 0.20 . 1 . . . . . . . . 6108 1
403 . 1 1 61 61 HIS HB2 H 1 3.09 0.01 . 1 . . . . . . . . 6108 1
404 . 1 1 61 61 HIS HB3 H 1 3.09 0.01 . 1 . . . . . . . . 6108 1
405 . 1 1 61 61 HIS HD2 H 1 8.21 0.01 . 1 . . . . . . . . 6108 1
406 . 1 1 61 61 HIS HE1 H 1 6.54 0.01 . 1 . . . . . . . . 6108 1
407 . 1 1 61 61 HIS C C 13 176.4 0.20 . 1 . . . . . . . . 6108 1
408 . 1 1 62 62 ARG N N 15 122.7 0.25 . 1 . . . . . . . . 6108 1
409 . 1 1 62 62 ARG H H 1 9.10 0.01 . 1 . . . . . . . . 6108 1
410 . 1 1 62 62 ARG CA C 13 60.7 0.20 . 1 . . . . . . . . 6108 1
411 . 1 1 62 62 ARG HA H 1 4.26 0.01 . 1 . . . . . . . . 6108 1
412 . 1 1 62 62 ARG CB C 13 30.3 0.20 . 1 . . . . . . . . 6108 1
413 . 1 1 62 62 ARG HB2 H 1 2.00 0.01 . 2 . . . . . . . . 6108 1
414 . 1 1 62 62 ARG HB3 H 1 2.06 0.01 . 2 . . . . . . . . 6108 1
415 . 1 1 62 62 ARG HG2 H 1 1.68 0.01 . 1 . . . . . . . . 6108 1
416 . 1 1 62 62 ARG HG3 H 1 1.68 0.01 . 1 . . . . . . . . 6108 1
417 . 1 1 62 62 ARG HD2 H 1 3.25 0.01 . 1 . . . . . . . . 6108 1
418 . 1 1 62 62 ARG HD3 H 1 3.25 0.01 . 1 . . . . . . . . 6108 1
419 . 1 1 62 62 ARG C C 13 178.5 0.20 . 1 . . . . . . . . 6108 1
420 . 1 1 63 63 THR N N 15 116.6 0.25 . 1 . . . . . . . . 6108 1
421 . 1 1 63 63 THR H H 1 8.61 0.01 . 1 . . . . . . . . 6108 1
422 . 1 1 63 63 THR CA C 13 66.9 0.20 . 1 . . . . . . . . 6108 1
423 . 1 1 63 63 THR HA H 1 3.97 0.01 . 1 . . . . . . . . 6108 1
424 . 1 1 63 63 THR CB C 13 68.8 0.20 . 1 . . . . . . . . 6108 1
425 . 1 1 63 63 THR HB H 1 4.33 0.01 . 1 . . . . . . . . 6108 1
426 . 1 1 63 63 THR HG21 H 1 1.33 0.01 . 1 . . . . . . . . 6108 1
427 . 1 1 63 63 THR HG22 H 1 1.33 0.01 . 1 . . . . . . . . 6108 1
428 . 1 1 63 63 THR HG23 H 1 1.33 0.01 . 1 . . . . . . . . 6108 1
429 . 1 1 63 63 THR C C 13 176.9 0.20 . 1 . . . . . . . . 6108 1
430 . 1 1 64 64 TRP N N 15 123.9 0.25 . 1 . . . . . . . . 6108 1
431 . 1 1 64 64 TRP H H 1 7.86 0.01 . 1 . . . . . . . . 6108 1
432 . 1 1 64 64 TRP CA C 13 61.9 0.20 . 1 . . . . . . . . 6108 1
433 . 1 1 64 64 TRP HA H 1 4.19 0.01 . 1 . . . . . . . . 6108 1
434 . 1 1 64 64 TRP CB C 13 29.5 0.20 . 1 . . . . . . . . 6108 1
435 . 1 1 64 64 TRP HB2 H 1 3.40 0.01 . 1 . . . . . . . . 6108 1
436 . 1 1 64 64 TRP HB3 H 1 3.40 0.01 . 1 . . . . . . . . 6108 1
437 . 1 1 64 64 TRP HD1 H 1 7.27 0.01 . 1 . . . . . . . . 6108 1
438 . 1 1 64 64 TRP HE1 H 1 10.25 0.01 . 1 . . . . . . . . 6108 1
439 . 1 1 64 64 TRP HZ3 H 1 6.53 0.01 . 1 . . . . . . . . 6108 1
440 . 1 1 64 64 TRP HZ2 H 1 7.48 0.01 . 1 . . . . . . . . 6108 1
441 . 1 1 64 64 TRP HH2 H 1 7.21 0.01 . 1 . . . . . . . . 6108 1
442 . 1 1 64 64 TRP C C 13 177.8 0.20 . 1 . . . . . . . . 6108 1
443 . 1 1 65 65 PHE N N 15 120.9 0.25 . 1 . . . . . . . . 6108 1
444 . 1 1 65 65 PHE H H 1 9.44 0.01 . 1 . . . . . . . . 6108 1
445 . 1 1 65 65 PHE CA C 13 62.7 0.20 . 1 . . . . . . . . 6108 1
446 . 1 1 65 65 PHE HA H 1 3.84 0.01 . 1 . . . . . . . . 6108 1
447 . 1 1 65 65 PHE CB C 13 40.2 0.20 . 1 . . . . . . . . 6108 1
448 . 1 1 65 65 PHE HB2 H 1 3.43 0.01 . 1 . . . . . . . . 6108 1
449 . 1 1 65 65 PHE HB3 H 1 3.43 0.01 . 1 . . . . . . . . 6108 1
450 . 1 1 65 65 PHE HZ H 1 7.27 0.01 . 1 . . . . . . . . 6108 1
451 . 1 1 65 65 PHE HD1 H 1 7.53 0.01 . 3 . . . . . . . . 6108 1
452 . 1 1 65 65 PHE HE1 H 1 7.01 0.01 . 3 . . . . . . . . 6108 1
453 . 1 1 65 65 PHE C C 13 177.2 0.20 . 1 . . . . . . . . 6108 1
454 . 1 1 66 66 CYS N N 15 117.4 0.25 . 1 . . . . . . . . 6108 1
455 . 1 1 66 66 CYS H H 1 8.91 0.01 . 1 . . . . . . . . 6108 1
456 . 1 1 66 66 CYS CA C 13 65.2 0.20 . 1 . . . . . . . . 6108 1
457 . 1 1 66 66 CYS HA H 1 4.03 0.01 . 1 . . . . . . . . 6108 1
458 . 1 1 66 66 CYS CB C 13 26.6 0.20 . 1 . . . . . . . . 6108 1
459 . 1 1 66 66 CYS HB2 H 1 2.95 0.01 . 2 . . . . . . . . 6108 1
460 . 1 1 66 66 CYS HB3 H 1 3.11 0.01 . 2 . . . . . . . . 6108 1
461 . 1 1 66 66 CYS C C 13 177.3 0.20 . 1 . . . . . . . . 6108 1
462 . 1 1 67 67 ALA N N 15 123.8 0.25 . 1 . . . . . . . . 6108 1
463 . 1 1 67 67 ALA H H 1 7.75 0.01 . 1 . . . . . . . . 6108 1
464 . 1 1 67 67 ALA CA C 13 54.9 0.20 . 1 . . . . . . . . 6108 1
465 . 1 1 67 67 ALA HA H 1 4.20 0.01 . 1 . . . . . . . . 6108 1
466 . 1 1 67 67 ALA HB1 H 1 1.38 0.01 . 1 . . . . . . . . 6108 1
467 . 1 1 67 67 ALA HB2 H 1 1.38 0.01 . 1 . . . . . . . . 6108 1
468 . 1 1 67 67 ALA HB3 H 1 1.38 0.01 . 1 . . . . . . . . 6108 1
469 . 1 1 67 67 ALA CB C 13 17.5 0.20 . 1 . . . . . . . . 6108 1
470 . 1 1 67 67 ALA C C 13 180.1 0.20 . 1 . . . . . . . . 6108 1
471 . 1 1 68 68 ARG N N 15 121.1 0.25 . 1 . . . . . . . . 6108 1
472 . 1 1 68 68 ARG H H 1 8.10 0.01 . 1 . . . . . . . . 6108 1
473 . 1 1 68 68 ARG CA C 13 56.8 0.20 . 1 . . . . . . . . 6108 1
474 . 1 1 68 68 ARG HA H 1 3.78 0.01 . 1 . . . . . . . . 6108 1
475 . 1 1 68 68 ARG CB C 13 28.4 0.20 . 1 . . . . . . . . 6108 1
476 . 1 1 68 68 ARG HB2 H 1 1.35 0.01 . 2 . . . . . . . . 6108 1
477 . 1 1 68 68 ARG HB3 H 1 1.50 0.01 . 2 . . . . . . . . 6108 1
478 . 1 1 68 68 ARG HG2 H 1 0.93 0.01 . 1 . . . . . . . . 6108 1
479 . 1 1 68 68 ARG HG3 H 1 0.93 0.01 . 1 . . . . . . . . 6108 1
480 . 1 1 68 68 ARG C C 13 177.7 0.20 . 1 . . . . . . . . 6108 1
481 . 1 1 69 69 TYR N N 15 120.2 0.25 . 1 . . . . . . . . 6108 1
482 . 1 1 69 69 TYR H H 1 8.74 0.01 . 1 . . . . . . . . 6108 1
483 . 1 1 69 69 TYR CA C 13 61.4 0.20 . 1 . . . . . . . . 6108 1
484 . 1 1 69 69 TYR HA H 1 4.22 0.01 . 1 . . . . . . . . 6108 1
485 . 1 1 69 69 TYR CB C 13 38.3 0.20 . 1 . . . . . . . . 6108 1
486 . 1 1 69 69 TYR HB2 H 1 2.63 0.01 . 2 . . . . . . . . 6108 1
487 . 1 1 69 69 TYR HB3 H 1 2.91 0.01 . 2 . . . . . . . . 6108 1
488 . 1 1 69 69 TYR HE1 H 1 6.54 0.01 . 3 . . . . . . . . 6108 1
489 . 1 1 69 69 TYR HD1 H 1 7.23 0.01 . 3 . . . . . . . . 6108 1
490 . 1 1 69 69 TYR C C 13 176.9 0.20 . 1 . . . . . . . . 6108 1
491 . 1 1 70 70 ALA N N 15 122.8 0.25 . 1 . . . . . . . . 6108 1
492 . 1 1 70 70 ALA H H 1 8.05 0.01 . 1 . . . . . . . . 6108 1
493 . 1 1 70 70 ALA CA C 13 55.8 0.20 . 1 . . . . . . . . 6108 1
494 . 1 1 70 70 ALA HA H 1 3.77 0.01 . 1 . . . . . . . . 6108 1
495 . 1 1 70 70 ALA HB1 H 1 1.53 0.01 . 1 . . . . . . . . 6108 1
496 . 1 1 70 70 ALA HB2 H 1 1.53 0.01 . 1 . . . . . . . . 6108 1
497 . 1 1 70 70 ALA HB3 H 1 1.53 0.01 . 1 . . . . . . . . 6108 1
498 . 1 1 70 70 ALA CB C 13 17.7 0.20 . 1 . . . . . . . . 6108 1
499 . 1 1 70 70 ALA C C 13 179.8 0.20 . 1 . . . . . . . . 6108 1
500 . 1 1 71 71 TRP N N 15 121.7 0.25 . 1 . . . . . . . . 6108 1
501 . 1 1 71 71 TRP H H 1 7.99 0.01 . 1 . . . . . . . . 6108 1
502 . 1 1 71 71 TRP CA C 13 61.5 0.20 . 1 . . . . . . . . 6108 1
503 . 1 1 71 71 TRP HA H 1 4.18 0.01 . 1 . . . . . . . . 6108 1
504 . 1 1 71 71 TRP CB C 13 28.1 0.20 . 1 . . . . . . . . 6108 1
505 . 1 1 71 71 TRP HB2 H 1 3.16 0.01 . 2 . . . . . . . . 6108 1
506 . 1 1 71 71 TRP HB3 H 1 3.25 0.01 . 2 . . . . . . . . 6108 1
507 . 1 1 71 71 TRP HD1 H 1 6.77 0.01 . 1 . . . . . . . . 6108 1
508 . 1 1 71 71 TRP HE1 H 1 10.02 0.01 . 1 . . . . . . . . 6108 1
509 . 1 1 71 71 TRP HZ3 H 1 6.70 0.01 . 1 . . . . . . . . 6108 1
510 . 1 1 71 71 TRP HZ2 H 1 7.35 0.01 . 1 . . . . . . . . 6108 1
511 . 1 1 71 71 TRP HH2 H 1 7.11 0.01 . 1 . . . . . . . . 6108 1
512 . 1 1 71 71 TRP C C 13 178.7 0.20 . 1 . . . . . . . . 6108 1
513 . 1 1 72 72 TYR N N 15 118.9 0.25 . 1 . . . . . . . . 6108 1
514 . 1 1 72 72 TYR H H 1 8.66 0.01 . 1 . . . . . . . . 6108 1
515 . 1 1 72 72 TYR CA C 13 62.5 0.20 . 1 . . . . . . . . 6108 1
516 . 1 1 72 72 TYR HA H 1 3.98 0.01 . 1 . . . . . . . . 6108 1
517 . 1 1 72 72 TYR CB C 13 38.5 0.20 . 1 . . . . . . . . 6108 1
518 . 1 1 72 72 TYR HB2 H 1 2.83 0.01 . 2 . . . . . . . . 6108 1
519 . 1 1 72 72 TYR HB3 H 1 2.94 0.01 . 2 . . . . . . . . 6108 1
520 . 1 1 72 72 TYR HE1 H 1 7.03 0.01 . 3 . . . . . . . . 6108 1
521 . 1 1 72 72 TYR HD1 H 1 7.08 0.01 . 3 . . . . . . . . 6108 1
522 . 1 1 72 72 TYR C C 13 178.8 0.20 . 1 . . . . . . . . 6108 1
523 . 1 1 73 73 CYS N N 15 118.3 0.25 . 1 . . . . . . . . 6108 1
524 . 1 1 73 73 CYS H H 1 8.46 0.01 . 1 . . . . . . . . 6108 1
525 . 1 1 73 73 CYS CA C 13 64.9 0.20 . 1 . . . . . . . . 6108 1
526 . 1 1 73 73 CYS HA H 1 3.97 0.01 . 1 . . . . . . . . 6108 1
527 . 1 1 73 73 CYS CB C 13 26.5 0.20 . 1 . . . . . . . . 6108 1
528 . 1 1 73 73 CYS HB2 H 1 2.38 0.01 . 2 . . . . . . . . 6108 1
529 . 1 1 73 73 CYS HB3 H 1 2.83 0.01 . 2 . . . . . . . . 6108 1
530 . 1 1 73 73 CYS C C 13 176.9 0.20 . 1 . . . . . . . . 6108 1
531 . 1 1 74 74 GLN N N 15 119.2 0.25 . 1 . . . . . . . . 6108 1
532 . 1 1 74 74 GLN H H 1 7.64 0.01 . 1 . . . . . . . . 6108 1
533 . 1 1 74 74 GLN CA C 13 58.5 0.20 . 1 . . . . . . . . 6108 1
534 . 1 1 74 74 GLN HA H 1 3.96 0.01 . 1 . . . . . . . . 6108 1
535 . 1 1 74 74 GLN CB C 13 27.9 0.20 . 1 . . . . . . . . 6108 1
536 . 1 1 74 74 GLN HB2 H 1 2.03 0.01 . 1 . . . . . . . . 6108 1
537 . 1 1 74 74 GLN HB3 H 1 2.03 0.01 . 1 . . . . . . . . 6108 1
538 . 1 1 74 74 GLN HG2 H 1 2.23 0.01 . 2 . . . . . . . . 6108 1
539 . 1 1 74 74 GLN HG3 H 1 2.36 0.01 . 2 . . . . . . . . 6108 1
540 . 1 1 74 74 GLN HE21 H 1 6.75 0.01 . 2 . . . . . . . . 6108 1
541 . 1 1 74 74 GLN HE22 H 1 7.30 0.01 . 2 . . . . . . . . 6108 1
542 . 1 1 74 74 GLN C C 13 178.1 0.20 . 1 . . . . . . . . 6108 1
543 . 1 1 75 75 GLN N N 15 118.8 0.25 . 1 . . . . . . . . 6108 1
544 . 1 1 75 75 GLN H H 1 7.82 0.01 . 1 . . . . . . . . 6108 1
545 . 1 1 75 75 GLN CA C 13 58.1 0.20 . 1 . . . . . . . . 6108 1
546 . 1 1 75 75 GLN HA H 1 3.74 0.01 . 1 . . . . . . . . 6108 1
547 . 1 1 75 75 GLN CB C 13 28.5 0.20 . 1 . . . . . . . . 6108 1
548 . 1 1 75 75 GLN HB2 H 1 1.65 0.01 . 2 . . . . . . . . 6108 1
549 . 1 1 75 75 GLN HB3 H 1 2.02 0.01 . 2 . . . . . . . . 6108 1
550 . 1 1 75 75 GLN HG2 H 1 1.92 0.01 . 1 . . . . . . . . 6108 1
551 . 1 1 75 75 GLN HG3 H 1 1.92 0.01 . 1 . . . . . . . . 6108 1
552 . 1 1 75 75 GLN HE21 H 1 6.30 0.01 . 2 . . . . . . . . 6108 1
553 . 1 1 75 75 GLN HE22 H 1 6.34 0.01 . 2 . . . . . . . . 6108 1
554 . 1 1 75 75 GLN C C 13 178.6 0.20 . 1 . . . . . . . . 6108 1
555 . 1 1 76 76 MET N N 15 118.0 0.25 . 1 . . . . . . . . 6108 1
556 . 1 1 76 76 MET H H 1 8.22 0.01 . 1 . . . . . . . . 6108 1
557 . 1 1 76 76 MET CA C 13 58.1 0.20 . 1 . . . . . . . . 6108 1
558 . 1 1 76 76 MET HA H 1 4.23 0.01 . 1 . . . . . . . . 6108 1
559 . 1 1 76 76 MET CB C 13 32.5 0.20 . 1 . . . . . . . . 6108 1
560 . 1 1 76 76 MET HB2 H 1 1.98 0.01 . 1 . . . . . . . . 6108 1
561 . 1 1 76 76 MET HB3 H 1 1.98 0.01 . 1 . . . . . . . . 6108 1
562 . 1 1 76 76 MET HG2 H 1 2.63 0.01 . 2 . . . . . . . . 6108 1
563 . 1 1 76 76 MET HG3 H 1 2.79 0.01 . 2 . . . . . . . . 6108 1
564 . 1 1 76 76 MET C C 13 177.8 0.20 . 1 . . . . . . . . 6108 1
565 . 1 1 77 77 MET N N 15 119.4 0.25 . 1 . . . . . . . . 6108 1
566 . 1 1 77 77 MET H H 1 7.82 0.01 . 1 . . . . . . . . 6108 1
567 . 1 1 77 77 MET CA C 13 57.1 0.20 . 1 . . . . . . . . 6108 1
568 . 1 1 77 77 MET HA H 1 4.38 0.01 . 1 . . . . . . . . 6108 1
569 . 1 1 77 77 MET CB C 13 32.5 0.20 . 1 . . . . . . . . 6108 1
570 . 1 1 77 77 MET HB2 H 1 2.13 0.01 . 1 . . . . . . . . 6108 1
571 . 1 1 77 77 MET HB3 H 1 2.13 0.01 . 1 . . . . . . . . 6108 1
572 . 1 1 77 77 MET HG2 H 1 2.65 0.01 . 2 . . . . . . . . 6108 1
573 . 1 1 77 77 MET HG3 H 1 2.72 0.01 . 2 . . . . . . . . 6108 1
574 . 1 1 77 77 MET C C 13 177.3 0.20 . 1 . . . . . . . . 6108 1
575 . 1 1 78 78 GLN N N 15 119.8 0.25 . 1 . . . . . . . . 6108 1
576 . 1 1 78 78 GLN H H 1 7.86 0.01 . 1 . . . . . . . . 6108 1
577 . 1 1 78 78 GLN CA C 13 57.1 0.20 . 1 . . . . . . . . 6108 1
578 . 1 1 78 78 GLN HA H 1 4.23 0.01 . 1 . . . . . . . . 6108 1
579 . 1 1 78 78 GLN CB C 13 28.8 0.20 . 1 . . . . . . . . 6108 1
580 . 1 1 78 78 GLN HB2 H 1 2.08 0.01 . 1 . . . . . . . . 6108 1
581 . 1 1 78 78 GLN HB3 H 1 2.08 0.01 . 1 . . . . . . . . 6108 1
582 . 1 1 78 78 GLN HG2 H 1 2.40 0.01 . 1 . . . . . . . . 6108 1
583 . 1 1 78 78 GLN HG3 H 1 2.40 0.01 . 1 . . . . . . . . 6108 1
584 . 1 1 78 78 GLN HE21 H 1 6.82 0.01 . 2 . . . . . . . . 6108 1
585 . 1 1 78 78 GLN HE22 H 1 7.46 0.01 . 2 . . . . . . . . 6108 1
586 . 1 1 78 78 GLN C C 13 176.4 0.20 . 1 . . . . . . . . 6108 1
587 . 1 1 79 79 ALA N N 15 123.4 0.25 . 1 . . . . . . . . 6108 1
588 . 1 1 79 79 ALA H H 1 7.96 0.01 . 1 . . . . . . . . 6108 1
589 . 1 1 79 79 ALA CA C 13 53.3 0.20 . 1 . . . . . . . . 6108 1
590 . 1 1 79 79 ALA HA H 1 4.23 0.01 . 1 . . . . . . . . 6108 1
591 . 1 1 79 79 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 6108 1
592 . 1 1 79 79 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 6108 1
593 . 1 1 79 79 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 6108 1
594 . 1 1 79 79 ALA CB C 13 18.5 0.20 . 1 . . . . . . . . 6108 1
595 . 1 1 79 79 ALA C C 13 178.1 0.20 . 1 . . . . . . . . 6108 1
596 . 1 1 80 80 ARG N N 15 119.6 0.25 . 1 . . . . . . . . 6108 1
597 . 1 1 80 80 ARG H H 1 7.99 0.01 . 1 . . . . . . . . 6108 1
598 . 1 1 80 80 ARG CA C 13 57.0 0.20 . 1 . . . . . . . . 6108 1
599 . 1 1 80 80 ARG HA H 1 4.26 0.01 . 1 . . . . . . . . 6108 1
600 . 1 1 80 80 ARG CB C 13 30.5 0.20 . 1 . . . . . . . . 6108 1
601 . 1 1 80 80 ARG HB2 H 1 1.83 0.01 . 2 . . . . . . . . 6108 1
602 . 1 1 80 80 ARG HB3 H 1 1.95 0.01 . 2 . . . . . . . . 6108 1
603 . 1 1 80 80 ARG HG2 H 1 1.68 0.01 . 1 . . . . . . . . 6108 1
604 . 1 1 80 80 ARG HG3 H 1 1.68 0.01 . 1 . . . . . . . . 6108 1
605 . 1 1 80 80 ARG HD2 H 1 3.26 0.01 . 1 . . . . . . . . 6108 1
606 . 1 1 80 80 ARG HD3 H 1 3.26 0.01 . 1 . . . . . . . . 6108 1
607 . 1 1 80 80 ARG C C 13 176.9 0.20 . 1 . . . . . . . . 6108 1
608 . 1 1 81 81 GLU N N 15 120.7 0.25 . 1 . . . . . . . . 6108 1
609 . 1 1 81 81 GLU H H 1 8.22 0.01 . 1 . . . . . . . . 6108 1
610 . 1 1 81 81 GLU CA C 13 57.3 0.20 . 1 . . . . . . . . 6108 1
611 . 1 1 81 81 GLU HA H 1 4.19 0.01 . 1 . . . . . . . . 6108 1
612 . 1 1 81 81 GLU CB C 13 29.7 0.20 . 1 . . . . . . . . 6108 1
613 . 1 1 81 81 GLU HB2 H 1 2.04 0.01 . 1 . . . . . . . . 6108 1
614 . 1 1 81 81 GLU HB3 H 1 2.04 0.01 . 1 . . . . . . . . 6108 1
615 . 1 1 81 81 GLU HG2 H 1 2.29 0.01 . 1 . . . . . . . . 6108 1
616 . 1 1 81 81 GLU HG3 H 1 2.29 0.01 . 1 . . . . . . . . 6108 1
617 . 1 1 81 81 GLU C C 13 176.9 0.20 . 1 . . . . . . . . 6108 1
618 . 1 1 82 82 LEU N N 15 121.7 0.25 . 1 . . . . . . . . 6108 1
619 . 1 1 82 82 LEU H H 1 8.02 0.01 . 1 . . . . . . . . 6108 1
620 . 1 1 82 82 LEU CA C 13 55.7 0.20 . 1 . . . . . . . . 6108 1
621 . 1 1 82 82 LEU HA H 1 4.30 0.01 . 1 . . . . . . . . 6108 1
622 . 1 1 82 82 LEU CB C 13 42.3 0.20 . 1 . . . . . . . . 6108 1
623 . 1 1 82 82 LEU HB2 H 1 1.60 0.01 . 2 . . . . . . . . 6108 1
624 . 1 1 82 82 LEU HB3 H 1 1.71 0.01 . 2 . . . . . . . . 6108 1
625 . 1 1 82 82 LEU HG H 1 1.43 0.01 . 1 . . . . . . . . 6108 1
626 . 1 1 82 82 LEU HD11 H 1 0.88 0.01 . 1 . . . . . . . . 6108 1
627 . 1 1 82 82 LEU HD12 H 1 0.88 0.01 . 1 . . . . . . . . 6108 1
628 . 1 1 82 82 LEU HD13 H 1 0.88 0.01 . 1 . . . . . . . . 6108 1
629 . 1 1 82 82 LEU HD21 H 1 0.88 0.01 . 1 . . . . . . . . 6108 1
630 . 1 1 82 82 LEU HD22 H 1 0.88 0.01 . 1 . . . . . . . . 6108 1
631 . 1 1 82 82 LEU HD23 H 1 0.88 0.01 . 1 . . . . . . . . 6108 1
632 . 1 1 82 82 LEU C C 13 177.5 0.20 . 1 . . . . . . . . 6108 1
633 . 1 1 83 83 GLU N N 15 121.3 0.25 . 1 . . . . . . . . 6108 1
634 . 1 1 83 83 GLU H H 1 8.16 0.01 . 1 . . . . . . . . 6108 1
635 . 1 1 83 83 GLU CA C 13 56.6 0.20 . 1 . . . . . . . . 6108 1
636 . 1 1 83 83 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 6108 1
637 . 1 1 83 83 GLU CB C 13 29.9 0.20 . 1 . . . . . . . . 6108 1
638 . 1 1 83 83 GLU HB2 H 1 2.05 0.01 . 1 . . . . . . . . 6108 1
639 . 1 1 83 83 GLU HB3 H 1 2.05 0.01 . 1 . . . . . . . . 6108 1
640 . 1 1 83 83 GLU HG2 H 1 2.33 0.01 . 1 . . . . . . . . 6108 1
641 . 1 1 83 83 GLU HG3 H 1 2.33 0.01 . 1 . . . . . . . . 6108 1
642 . 1 1 83 83 GLU C C 13 176.3 0.20 . 1 . . . . . . . . 6108 1
643 . 1 1 84 84 LEU N N 15 122.8 0.25 . 1 . . . . . . . . 6108 1
644 . 1 1 84 84 LEU H H 1 8.07 0.01 . 1 . . . . . . . . 6108 1
645 . 1 1 84 84 LEU CA C 13 55.1 0.20 . 1 . . . . . . . . 6108 1
646 . 1 1 84 84 LEU HA H 1 4.36 0.01 . 1 . . . . . . . . 6108 1
647 . 1 1 84 84 LEU CB C 13 42.6 0.20 . 1 . . . . . . . . 6108 1
648 . 1 1 84 84 LEU HB2 H 1 1.68 0.01 . 1 . . . . . . . . 6108 1
649 . 1 1 84 84 LEU HB3 H 1 1.68 0.01 . 1 . . . . . . . . 6108 1
650 . 1 1 84 84 LEU HG H 1 1.58 0.01 . 1 . . . . . . . . 6108 1
651 . 1 1 84 84 LEU HD11 H 1 0.88 0.01 . 2 . . . . . . . . 6108 1
652 . 1 1 84 84 LEU HD12 H 1 0.88 0.01 . 2 . . . . . . . . 6108 1
653 . 1 1 84 84 LEU HD13 H 1 0.88 0.01 . 2 . . . . . . . . 6108 1
654 . 1 1 84 84 LEU HD21 H 1 0.95 0.01 . 2 . . . . . . . . 6108 1
655 . 1 1 84 84 LEU HD22 H 1 0.95 0.01 . 2 . . . . . . . . 6108 1
656 . 1 1 84 84 LEU HD23 H 1 0.95 0.01 . 2 . . . . . . . . 6108 1
657 . 1 1 84 84 LEU C C 13 177.1 0.20 . 1 . . . . . . . . 6108 1
658 . 1 1 85 85 GLU N N 15 122.0 0.25 . 1 . . . . . . . . 6108 1
659 . 1 1 85 85 GLU H H 1 8.25 0.01 . 1 . . . . . . . . 6108 1
660 . 1 1 85 85 GLU CA C 13 56.7 0.20 . 1 . . . . . . . . 6108 1
661 . 1 1 85 85 GLU HA H 1 4.26 0.01 . 1 . . . . . . . . 6108 1
662 . 1 1 85 85 GLU CB C 13 30.1 0.20 . 1 . . . . . . . . 6108 1
663 . 1 1 85 85 GLU HB2 H 1 1.93 0.01 . 2 . . . . . . . . 6108 1
664 . 1 1 85 85 GLU HB3 H 1 2.03 0.01 . 2 . . . . . . . . 6108 1
665 . 1 1 85 85 GLU HG2 H 1 2.29 0.01 . 1 . . . . . . . . 6108 1
666 . 1 1 85 85 GLU HG3 H 1 2.29 0.01 . 1 . . . . . . . . 6108 1
667 . 1 1 85 85 GLU C C 13 175.4 0.20 . 1 . . . . . . . . 6108 1
668 . 1 1 86 86 HIS N N 15 124.9 0.25 . 1 . . . . . . . . 6108 1
669 . 1 1 86 86 HIS H H 1 8.02 0.01 . 1 . . . . . . . . 6108 1
670 . 1 1 86 86 HIS CA C 13 56.8 0.20 . 1 . . . . . . . . 6108 1
671 . 1 1 86 86 HIS HA H 1 4.50 0.01 . 1 . . . . . . . . 6108 1
672 . 1 1 86 86 HIS HB2 H 1 3.13 0.01 . 2 . . . . . . . . 6108 1
673 . 1 1 86 86 HIS HB3 H 1 3.27 0.01 . 2 . . . . . . . . 6108 1
674 . 1 1 86 86 HIS HD2 H 1 8.54 0.01 . 1 . . . . . . . . 6108 1
675 . 1 1 86 86 HIS HE1 H 1 7.27 0.01 . 1 . . . . . . . . 6108 1
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