data_5345
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 5345
_Entry.Title
;
Assignment of lac repressor headpiece complexed of its natural operator
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2002-04-19
_Entry.Accession_date 2002-04-19
_Entry.Last_release_date .
_Entry.Original_release_date .
_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 C. Kalodimos . G. . 5345
2 A. Bonvin . J.M.M. . 5345
3 R. Salinas . K. . 5345
4 R. Wechselberger . . . 5345
5 R. Boelens . . . 5345
6 R. Kaptein . . . 5345
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 4 5345
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 458 5345
'1H chemical shifts' 1207 5345
'15N chemical shifts' 138 5345
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
2 . . 2010-07-14 2002-04-19 update BMRB 'update DNA residue label to two-letter code' 5345
1 . . 2002-06-07 2002-04-19 original author 'original release' 5345
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 5345
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 12065400
_Citation.Full_citation .
_Citation.Title
;
PLASTICITY IN PROTEIN-DNA RECOGNITION: LAC REPRESSOR INTERACTS WITH ITS NATURAL
OPERATOR THROUGH ALTERNATIVE CONFORMATIONS OF ITS DNA-BINDING DOMAIN
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'EMBO J.'
_Citation.Journal_name_full .
_Citation.Journal_volume 21
_Citation.Journal_issue 12
_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 2866
_Citation.Page_last 2876
_Citation.Year 2002
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Charalampos Kalodimos . G. . 5345 1
2 A. Bonvin . J.M.M. . 5345 1
3 R. Salinas . K. . 5345 1
4 R. Wechselberger . . . 5345 1
5 R. Boelens . . . 5345 1
6 R. Kaptein . . . 5345 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'transcription regulation' 5345 1
'LAC operon' 5345 1
'LAC repressor' 5345 1
'natural LAC operator' 5345 1
'asymmetric DNA-binding' 5345 1
HTH 5345 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_lac
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_lac
_Assembly.Entry_ID 5345
_Assembly.ID 1
_Assembly.Name 'LACTOSE OPERON REPRESSOR/DNA Complex'
_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 disulfide bound'
_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
dimer 5345 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 'Lactose operon repressor, chain A' 1 $lac . . . native . . . . . 5345 1
2 'Lactose operon repressor, chain B' 1 $lac . . . native . . . . . 5345 1
3 'LAC-DNA, chain A' 2 $LAC-DNA_A . . . native . . . . . 5345 1
4 'LAC-DNA, chain B' 3 $LAC-DNA_B . . . native . . . . . 5345 1
stop_
loop_
_Bond.ID
_Bond.Type
_Bond.Value_order
_Bond.Assembly_atom_ID_1
_Bond.Entity_assembly_ID_1
_Bond.Entity_assembly_name_1
_Bond.Entity_ID_1
_Bond.Comp_ID_1
_Bond.Comp_index_ID_1
_Bond.Seq_ID_1
_Bond.Atom_ID_1
_Bond.Assembly_atom_ID_2
_Bond.Entity_assembly_ID_2
_Bond.Entity_assembly_name_2
_Bond.Entity_ID_2
_Bond.Comp_ID_2
_Bond.Comp_index_ID_2
_Bond.Seq_ID_2
_Bond.Atom_ID_2
_Bond.Auth_entity_assembly_ID_1
_Bond.Auth_entity_assembly_name_1
_Bond.Auth_seq_ID_1
_Bond.Auth_comp_ID_1
_Bond.Auth_atom_ID_1
_Bond.Auth_entity_assembly_ID_2
_Bond.Auth_entity_assembly_name_2
_Bond.Auth_seq_ID_2
_Bond.Auth_comp_ID_2
_Bond.Auth_atom_ID_2
_Bond.Entry_ID
_Bond.Assembly_ID
1 disulfide single . 1 . 1 CYS 52 52 SG . 2 . 1 CYS 52 52 SG . . . . . . . . . . 5345 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
yes PDB 1L1M . . . . . . 5345 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
'LACTOSE OPERON REPRESSOR/DNA Complex' system 5345 1
lac abbreviation 5345 1
stop_
loop_
_Assembly_bio_function.Biological_function
_Assembly_bio_function.Entry_ID
_Assembly_bio_function.Assembly_ID
'regulation of the genes located in lac operon' 5345 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_lac
_Entity.Sf_category entity
_Entity.Sf_framecode lac
_Entity.Entry_ID 5345
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'lactose repressor-operator'
_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
;
MKPVTLYDVAEYAGVSYQTV
SRVVNQASHVSAKTREKVEA
AMAELNYIPNRCAQQLAGKQ
SL
;
_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 62
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'all disulfide bound'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 7000
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-01-29
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 BMRB 1066 . "lac repressor headpiece" . . . . . 96.77 60 98.33 98.33 1.37e-33 . . . . 5345 1
2 no BMRB 127 . "lac repressor headpiece" . . . . . 82.26 51 100.00 100.00 1.54e-27 . . . . 5345 1
3 no BMRB 1494 . "lac repressor headpiece" . . . . . 90.32 56 98.21 98.21 1.86e-30 . . . . 5345 1
4 no BMRB 1552 . "lac repressor headpiece" . . . . . 82.26 51 100.00 100.00 1.54e-27 . . . . 5345 1
5 no BMRB 32 . "lac repressor headpiece" . . . . . 82.26 51 100.00 100.00 1.54e-27 . . . . 5345 1
6 no BMRB 4813 . "LAC REPRESSOR" . . . . . 100.00 62 98.39 98.39 5.60e-35 . . . . 5345 1
7 no BMRB 5791 . "Lactose operon repressor" . . . . . 100.00 62 100.00 100.00 3.47e-36 . . . . 5345 1
8 no BMRB 661 . "lac repressor headpiece" . . . . . 96.77 60 98.33 98.33 1.37e-33 . . . . 5345 1
9 no BMRB 736 . "lac repressor headpiece" . . . . . 90.32 56 98.21 98.21 1.86e-30 . . . . 5345 1
10 no BMRB 848 . "lac repressor headpiece" . . . . . 82.26 51 100.00 100.00 1.54e-27 . . . . 5345 1
11 no BMRB 849 . "lac repressor headpiece" . . . . . 82.26 51 100.00 100.00 1.54e-27 . . . . 5345 1
12 no BMRB 96 . "lac repressor headpiece" . . . . . 82.26 51 100.00 100.00 1.54e-27 . . . . 5345 1
13 no PDB 1CJG . "Nmr Structure Of Lac Repressor Hp62-Dna Complex" . . . . . 100.00 62 98.39 98.39 5.60e-35 . . . . 5345 1
14 no PDB 1EFA . "Crystal Structure Of The Lac Repressor Dimer Bound To Operator And The Anti-Inducer Onpf" . . . . . 100.00 333 98.39 98.39 1.78e-32 . . . . 5345 1
15 no PDB 1JWL . "Structure Of The Dimeric Lac RepressorOPERATOR O1ONPF Complex" . . . . . 100.00 333 98.39 98.39 1.78e-32 . . . . 5345 1
16 no PDB 1JYE . "Structure Of A Dimeric Lac Repressor With C-Terminal Deletion And K84l Substitution" . . . . . 100.00 349 98.39 98.39 1.77e-32 . . . . 5345 1
17 no PDB 1JYF . "Structure Of The Dimeric Lac Repressor With An 11-Residue C-Terminal Deletion" . . . . . 100.00 349 98.39 98.39 1.84e-32 . . . . 5345 1
18 no PDB 1L1M . "Solution Structure Of A Dimer Of Lac Repressor Dna-Binding Domain Complexed To Its Natural Operator O1" . . . . . 100.00 62 100.00 100.00 3.47e-36 . . . . 5345 1
19 no PDB 1LBG . "Lactose Operon Repressor Bound To 21-Base Pair Symmetric Operator Dna, Alpha Carbons Only" . . . . . 100.00 360 98.39 98.39 2.16e-32 . . . . 5345 1
20 no PDB 1LBH . "Intact Lactose Operon Repressor With Gratuitous Inducer Iptg" . . . . . 100.00 360 98.39 98.39 2.16e-32 . . . . 5345 1
21 no PDB 1LBI . "Lac Repressor" . . . . . 100.00 360 98.39 98.39 2.16e-32 . . . . 5345 1
22 no PDB 1LCC . "Structure Of The Complex Of Lac Repressor Headpiece And An 11 Base-pair Half-operator Determined By Nuclear Magnetic Resonance " . . . . . 82.26 51 100.00 100.00 1.54e-27 . . . . 5345 1
23 no PDB 1LCD . "Structure Of The Complex Of Lac Repressor Headpiece And An 11 Base-pair Half-operator Determined By Nuclear Magnetic Resonance " . . . . . 82.26 51 100.00 100.00 1.54e-27 . . . . 5345 1
24 no PDB 1LQC . "Lac Repressor Headpiece (Residues 1-56), Nmr, 32 Structures" . . . . . 90.32 56 98.21 98.21 1.86e-30 . . . . 5345 1
25 no PDB 1OSL . "Solution Structure Of A Dimeric Lactose Dna-Binding Domain Complexed To A Nonspecific Dna Sequence" . . . . . 100.00 62 100.00 100.00 3.47e-36 . . . . 5345 1
26 no PDB 2KEI . "Refined Solution Structure Of A Dimer Of Lac Repressor Dna- Binding Domain Complexed To Its Natural Operator O1" . . . . . 100.00 62 100.00 100.00 3.47e-36 . . . . 5345 1
27 no PDB 2KEJ . "Solution Structure Of A Dimer Of Lac Repressor Dna-Binding Domain Complexed To Its Natural Operator O2" . . . . . 100.00 62 100.00 100.00 3.47e-36 . . . . 5345 1
28 no PDB 2KEK . "Solution Structure Of A Dimer Of Lac Repressor Dna-Binding Domain Complexed To Its Natural Operator O3" . . . . . 100.00 62 100.00 100.00 3.47e-36 . . . . 5345 1
29 no PDB 3EDC . "Crystal Structure Of A 1.6-Hexanediol Bound Tetrameric Form Of Escherichia Coli Lac-Repressor Refined To 2.1 Resolution" . . . . . 100.00 360 98.39 98.39 2.14e-32 . . . . 5345 1
30 no DBJ BAB20667 . "LacI [Cloning vector pCA24N]" . . . . . 100.00 360 98.39 98.39 2.14e-32 . . . . 5345 1
31 no DBJ BAB33821 . "transcriptional repressor of the lac operon [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 360 98.39 98.39 2.20e-32 . . . . 5345 1
32 no DBJ BAD00175 . "LacI repressor protein [Cloning vector pGETS109]" . . . . . 100.00 360 98.39 98.39 2.16e-32 . . . . 5345 1
33 no DBJ BAD20286 . "lactose repressor [Expression vector pCop-H1]" . . . . . 100.00 360 98.39 98.39 2.14e-32 . . . . 5345 1
34 no DBJ BAD20288 . "lactose repressor [Expression vector pCop-H2]" . . . . . 100.00 360 98.39 98.39 2.14e-32 . . . . 5345 1
35 no EMBL CAA07594 . "lac repressor [Cloning vector pEH1]" . . . . . 100.00 360 98.39 98.39 2.14e-32 . . . . 5345 1
36 no EMBL CAA07597 . "lac repressor [Cloning vector pEH3]" . . . . . 100.00 360 98.39 98.39 2.14e-32 . . . . 5345 1
37 no EMBL CAA11118 . "lacI [synthetic construct]" . . . . . 100.00 360 98.39 98.39 2.14e-32 . . . . 5345 1
38 no EMBL CAA11119 . "lacI [synthetic construct]" . . . . . 100.00 360 98.39 98.39 2.14e-32 . . . . 5345 1
39 no EMBL CAA11120 . "lacI [synthetic construct]" . . . . . 100.00 360 98.39 98.39 2.14e-32 . . . . 5345 1
40 no GB AAA24052 . "lac repressor protein (gtg start codon) [Escherichia coli]" . . . . . 100.00 360 98.39 98.39 2.14e-32 . . . . 5345 1
41 no GB AAA56744 . "lac repressor protein [unidentified cloning vector]" . . . . . 100.00 360 98.39 98.39 2.14e-32 . . . . 5345 1
42 no GB AAA56768 . "lac operon repressor [Cloning vector pSIT]" . . . . . 100.00 360 98.39 98.39 2.14e-32 . . . . 5345 1
43 no GB AAA57088 . "lac repressor [unidentified cloning vector]" . . . . . 100.00 360 98.39 98.39 2.14e-32 . . . . 5345 1
44 no GB AAA57091 . "lac repressor [unidentified cloning vector]" . . . . . 100.00 360 98.39 98.39 2.14e-32 . . . . 5345 1
45 no REF NP_286086 . "lac repressor [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 360 98.39 98.39 2.03e-32 . . . . 5345 1
46 no REF NP_414879 . "lactose-inducible lac operon transcriptional repressor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 360 98.39 98.39 2.14e-32 . . . . 5345 1
47 no REF WP_000718174 . "hypothetical protein, partial [Salmonella enterica]" . . . . . 91.94 87 98.25 98.25 9.72e-31 . . . . 5345 1
48 no REF WP_000805876 . "lac repressor [Escherichia coli]" . . . . . 100.00 360 98.39 98.39 2.14e-32 . . . . 5345 1
49 no REF WP_000805884 . "lac repressor [Escherichia coli]" . . . . . 100.00 360 98.39 98.39 2.20e-32 . . . . 5345 1
50 no SP P03023 . "RecName: Full=Lactose operon repressor [Escherichia coli K-12]" . . . . . 100.00 360 98.39 98.39 2.14e-32 . . . . 5345 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'lactose repressor-operator' common 5345 1
V52C variant 5345 1
lac abbreviation 5345 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 . MET . 5345 1
2 . LYS . 5345 1
3 . PRO . 5345 1
4 . VAL . 5345 1
5 . THR . 5345 1
6 . LEU . 5345 1
7 . TYR . 5345 1
8 . ASP . 5345 1
9 . VAL . 5345 1
10 . ALA . 5345 1
11 . GLU . 5345 1
12 . TYR . 5345 1
13 . ALA . 5345 1
14 . GLY . 5345 1
15 . VAL . 5345 1
16 . SER . 5345 1
17 . TYR . 5345 1
18 . GLN . 5345 1
19 . THR . 5345 1
20 . VAL . 5345 1
21 . SER . 5345 1
22 . ARG . 5345 1
23 . VAL . 5345 1
24 . VAL . 5345 1
25 . ASN . 5345 1
26 . GLN . 5345 1
27 . ALA . 5345 1
28 . SER . 5345 1
29 . HIS . 5345 1
30 . VAL . 5345 1
31 . SER . 5345 1
32 . ALA . 5345 1
33 . LYS . 5345 1
34 . THR . 5345 1
35 . ARG . 5345 1
36 . GLU . 5345 1
37 . LYS . 5345 1
38 . VAL . 5345 1
39 . GLU . 5345 1
40 . ALA . 5345 1
41 . ALA . 5345 1
42 . MET . 5345 1
43 . ALA . 5345 1
44 . GLU . 5345 1
45 . LEU . 5345 1
46 . ASN . 5345 1
47 . TYR . 5345 1
48 . ILE . 5345 1
49 . PRO . 5345 1
50 . ASN . 5345 1
51 . ARG . 5345 1
52 . CYS . 5345 1
53 . ALA . 5345 1
54 . GLN . 5345 1
55 . GLN . 5345 1
56 . LEU . 5345 1
57 . ALA . 5345 1
58 . GLY . 5345 1
59 . LYS . 5345 1
60 . GLN . 5345 1
61 . SER . 5345 1
62 . LEU . 5345 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 5345 1
. LYS 2 2 5345 1
. PRO 3 3 5345 1
. VAL 4 4 5345 1
. THR 5 5 5345 1
. LEU 6 6 5345 1
. TYR 7 7 5345 1
. ASP 8 8 5345 1
. VAL 9 9 5345 1
. ALA 10 10 5345 1
. GLU 11 11 5345 1
. TYR 12 12 5345 1
. ALA 13 13 5345 1
. GLY 14 14 5345 1
. VAL 15 15 5345 1
. SER 16 16 5345 1
. TYR 17 17 5345 1
. GLN 18 18 5345 1
. THR 19 19 5345 1
. VAL 20 20 5345 1
. SER 21 21 5345 1
. ARG 22 22 5345 1
. VAL 23 23 5345 1
. VAL 24 24 5345 1
. ASN 25 25 5345 1
. GLN 26 26 5345 1
. ALA 27 27 5345 1
. SER 28 28 5345 1
. HIS 29 29 5345 1
. VAL 30 30 5345 1
. SER 31 31 5345 1
. ALA 32 32 5345 1
. LYS 33 33 5345 1
. THR 34 34 5345 1
. ARG 35 35 5345 1
. GLU 36 36 5345 1
. LYS 37 37 5345 1
. VAL 38 38 5345 1
. GLU 39 39 5345 1
. ALA 40 40 5345 1
. ALA 41 41 5345 1
. MET 42 42 5345 1
. ALA 43 43 5345 1
. GLU 44 44 5345 1
. LEU 45 45 5345 1
. ASN 46 46 5345 1
. TYR 47 47 5345 1
. ILE 48 48 5345 1
. PRO 49 49 5345 1
. ASN 50 50 5345 1
. ARG 51 51 5345 1
. CYS 52 52 5345 1
. ALA 53 53 5345 1
. GLN 54 54 5345 1
. GLN 55 55 5345 1
. LEU 56 56 5345 1
. ALA 57 57 5345 1
. GLY 58 58 5345 1
. LYS 59 59 5345 1
. GLN 60 60 5345 1
. SER 61 61 5345 1
. LEU 62 62 5345 1
stop_
save_
save_LAC-DNA_A
_Entity.Sf_category entity
_Entity.Sf_framecode LAC-DNA_A
_Entity.Entry_ID 5345
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name 'lactose repressor-operator DNA'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polydeoxyribonucleotide
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GAATTGTGAGCGGATAACAA
TTT
;
_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 23
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID 2
_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 .
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'lactose repressor-operator DNA' common 5345 2
lac-DNA abbreviation 5345 2
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 . DG . 5345 2
2 . DA . 5345 2
3 . DA . 5345 2
4 . DT . 5345 2
5 . DT . 5345 2
6 . DG . 5345 2
7 . DT . 5345 2
8 . DG . 5345 2
9 . DA . 5345 2
10 . DG . 5345 2
11 . DC . 5345 2
12 . DG . 5345 2
13 . DG . 5345 2
14 . DA . 5345 2
15 . DT . 5345 2
16 . DA . 5345 2
17 . DA . 5345 2
18 . DC . 5345 2
19 . DA . 5345 2
20 . DA . 5345 2
21 . DT . 5345 2
22 . DT . 5345 2
23 . DT . 5345 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
. DG 1 1 5345 2
. DA 2 2 5345 2
. DA 3 3 5345 2
. DT 4 4 5345 2
. DT 5 5 5345 2
. DG 6 6 5345 2
. DT 7 7 5345 2
. DG 8 8 5345 2
. DA 9 9 5345 2
. DG 10 10 5345 2
. DC 11 11 5345 2
. DG 12 12 5345 2
. DG 13 13 5345 2
. DA 14 14 5345 2
. DT 15 15 5345 2
. DA 16 16 5345 2
. DA 17 17 5345 2
. DC 18 18 5345 2
. DA 19 19 5345 2
. DA 20 20 5345 2
. DT 21 21 5345 2
. DT 22 22 5345 2
. DT 23 23 5345 2
stop_
save_
save_LAC-DNA_B
_Entity.Sf_category entity
_Entity.Sf_framecode LAC-DNA_B
_Entity.Entry_ID 5345
_Entity.ID 3
_Entity.BMRB_code .
_Entity.Name 'lactose repressor-operator DNA'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polydeoxyribonucleotide
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
AAATTGTTATCCGCTCACAA
TTC
;
_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 23
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID 3
_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 .
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'lactose repressor-operator DNA' common 5345 3
lac-DNA abbreviation 5345 3
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 . DA . 5345 3
2 . DA . 5345 3
3 . DA . 5345 3
4 . DT . 5345 3
5 . DT . 5345 3
6 . DG . 5345 3
7 . DT . 5345 3
8 . DT . 5345 3
9 . DA . 5345 3
10 . DT . 5345 3
11 . DC . 5345 3
12 . DC . 5345 3
13 . DG . 5345 3
14 . DC . 5345 3
15 . DT . 5345 3
16 . DC . 5345 3
17 . DA . 5345 3
18 . DC . 5345 3
19 . DA . 5345 3
20 . DA . 5345 3
21 . DT . 5345 3
22 . DT . 5345 3
23 . DC . 5345 3
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
. DA 1 1 5345 3
. DA 2 2 5345 3
. DA 3 3 5345 3
. DT 4 4 5345 3
. DT 5 5 5345 3
. DG 6 6 5345 3
. DT 7 7 5345 3
. DT 8 8 5345 3
. DA 9 9 5345 3
. DT 10 10 5345 3
. DC 11 11 5345 3
. DC 12 12 5345 3
. DG 13 13 5345 3
. DC 14 14 5345 3
. DT 15 15 5345 3
. DC 16 16 5345 3
. DA 17 17 5345 3
. DC 18 18 5345 3
. DA 19 19 5345 3
. DA 20 20 5345 3
. DT 21 21 5345 3
. DT 22 22 5345 3
. DC 23 23 5345 3
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 5345
_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 $lac . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5345 1
2 2 $LAC-DNA_A . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5345 1
3 3 $LAC-DNA_B . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5345 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 5345
_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 $lac . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5345 1
2 2 $LAC-DNA_A . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5345 1
3 3 $LAC-DNA_B . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5345 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 5345
_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 'lactose repressor-operator' '[U-15N; U-13C]' . . 1 $lac . . 4 . . mM . . . . 5345 1
2 'lactose repressor-operator DNA' . . . 2 $LAC-DNA_A . . 2 . . mM . . . . 5345 1
3 'lactose repressor-operator DNA' . . . 3 $LAC-DNA_B . . 2 . . mM . . . . 5345 1
4 KPi . . . . . . . 10 . . mM . . . . 5345 1
5 KCl . . . . . . . 20 . . mM . . . . 5345 1
6 D2O . . . . . . . 10 . . % . . . . 5345 1
7 H2O . . . . . . . 90 . . % . . . . 5345 1
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 5345
_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 6.0 0.1 na 5345 1
temperature 315 0.1 K 5345 1
'ionic strength' 30 . mM 5345 1
pressure 1 . atm 5345 1
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Software.Sf_category software
_Software.Sf_framecode XWINNMR
_Software.Entry_ID 5345
_Software.ID 1
_Software.Name XWINNMR
_Software.Version 3.1
_Software.Details Bruker
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 5345 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 5345
_Software.ID 2
_Software.Name NMRPipe
_Software.Version 1.0
_Software.Details Delaglio
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 5345 2
stop_
save_
save_NMRView
_Software.Sf_category software
_Software.Sf_framecode NMRView
_Software.Entry_ID 5345
_Software.ID 3
_Software.Name NMRView
_Software.Version 5.0.4
_Software.Details Johnson
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 5345 3
stop_
save_
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 5345
_Software.ID 4
_Software.Name CNS
_Software.Version 1.1
_Software.Details Brunger
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 5345 4
refinement 5345 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 5345
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DRX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 5345
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DRX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 750
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 5345
_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 Bruker DRX . 600 . . . 5345 1
2 spectrometer_2 Bruker DRX . 750 . . . 5345 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 5345
_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 13C-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5345 1
2 '3D 15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5345 1
3 '2D NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5345 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 5345
_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 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 5345 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5345 1
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5345 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 5345
_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 '3D 13C-separated NOESY' 1 $sample_1 . 5345 1
2 '3D 15N-separated NOESY' 1 $sample_1 . 5345 1
3 '2D NOESY' 1 $sample_1 . 5345 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 3 3 PRO CA C 13 63.200 0.005 . 1 . . . . . . . . 5345 1
2 . 1 1 3 3 PRO HA H 1 4.500 0.005 . 1 . . . . . . . . 5345 1
3 . 1 1 3 3 PRO CB C 13 32.600 0.005 . 1 . . . . . . . . 5345 1
4 . 1 1 3 3 PRO HB3 H 1 2.180 0.005 . 1 . . . . . . . . 5345 1
5 . 1 1 3 3 PRO HB2 H 1 2.180 0.005 . 1 . . . . . . . . 5345 1
6 . 1 1 3 3 PRO HG3 H 1 2.000 0.005 . 2 . . . . . . . . 5345 1
7 . 1 1 3 3 PRO HG2 H 1 2.120 0.005 . 2 . . . . . . . . 5345 1
8 . 1 1 3 3 PRO HD3 H 1 3.750 0.005 . 2 . . . . . . . . 5345 1
9 . 1 1 3 3 PRO HD2 H 1 3.850 0.005 . 2 . . . . . . . . 5345 1
10 . 1 1 3 3 PRO C C 13 179.408 0.005 . 1 . . . . . . . . 5345 1
11 . 1 1 4 4 VAL N N 15 121.100 0.005 . 1 . . . . . . . . 5345 1
12 . 1 1 4 4 VAL H H 1 8.158 0.005 . 1 . . . . . . . . 5345 1
13 . 1 1 4 4 VAL CA C 13 62.800 0.005 . 1 . . . . . . . . 5345 1
14 . 1 1 4 4 VAL HA H 1 4.310 0.005 . 1 . . . . . . . . 5345 1
15 . 1 1 4 4 VAL CB C 13 33.070 0.005 . 1 . . . . . . . . 5345 1
16 . 1 1 4 4 VAL HB H 1 2.180 0.005 . 1 . . . . . . . . 5345 1
17 . 1 1 4 4 VAL CG2 C 13 21.100 0.005 . 1 . . . . . . . . 5345 1
18 . 1 1 4 4 VAL HG21 H 1 1.170 0.005 . 2 . . . . . . . . 5345 1
19 . 1 1 4 4 VAL HG22 H 1 1.170 0.005 . 2 . . . . . . . . 5345 1
20 . 1 1 4 4 VAL HG23 H 1 1.170 0.005 . 2 . . . . . . . . 5345 1
21 . 1 1 4 4 VAL CG1 C 13 22.400 0.005 . 1 . . . . . . . . 5345 1
22 . 1 1 4 4 VAL HG11 H 1 1.075 0.005 . 2 . . . . . . . . 5345 1
23 . 1 1 4 4 VAL HG12 H 1 1.075 0.005 . 2 . . . . . . . . 5345 1
24 . 1 1 4 4 VAL HG13 H 1 1.075 0.005 . 2 . . . . . . . . 5345 1
25 . 1 1 4 4 VAL C C 13 175.900 0.005 . 1 . . . . . . . . 5345 1
26 . 1 1 5 5 THR N N 15 118.140 0.005 . 1 . . . . . . . . 5345 1
27 . 1 1 5 5 THR H H 1 9.633 0.005 . 1 . . . . . . . . 5345 1
28 . 1 1 5 5 THR CA C 13 60.768 0.005 . 1 . . . . . . . . 5345 1
29 . 1 1 5 5 THR HA H 1 5.230 0.005 . 1 . . . . . . . . 5345 1
30 . 1 1 5 5 THR CB C 13 74.300 0.005 . 1 . . . . . . . . 5345 1
31 . 1 1 5 5 THR HB H 1 4.770 0.005 . 1 . . . . . . . . 5345 1
32 . 1 1 5 5 THR CG2 C 13 21.230 0.005 . 1 . . . . . . . . 5345 1
33 . 1 1 5 5 THR HG21 H 1 1.570 0.005 . 1 . . . . . . . . 5345 1
34 . 1 1 5 5 THR HG22 H 1 1.570 0.005 . 1 . . . . . . . . 5345 1
35 . 1 1 5 5 THR HG23 H 1 1.570 0.005 . 1 . . . . . . . . 5345 1
36 . 1 1 5 5 THR C C 13 176.683 0.005 . 1 . . . . . . . . 5345 1
37 . 1 1 6 6 LEU N N 15 121.200 0.005 . 1 . . . . . . . . 5345 1
38 . 1 1 6 6 LEU H H 1 9.685 0.005 . 1 . . . . . . . . 5345 1
39 . 1 1 6 6 LEU CA C 13 58.700 0.005 . 1 . . . . . . . . 5345 1
40 . 1 1 6 6 LEU HA H 1 3.400 0.005 . 1 . . . . . . . . 5345 1
41 . 1 1 6 6 LEU CB C 13 39.810 0.005 . 1 . . . . . . . . 5345 1
42 . 1 1 6 6 LEU HB3 H 1 1.650 0.005 . 1 . . . . . . . . 5345 1
43 . 1 1 6 6 LEU HB2 H 1 1.650 0.005 . 1 . . . . . . . . 5345 1
44 . 1 1 6 6 LEU CG C 13 27.500 0.005 . 1 . . . . . . . . 5345 1
45 . 1 1 6 6 LEU HG H 1 1.320 0.005 . 1 . . . . . . . . 5345 1
46 . 1 1 6 6 LEU CD1 C 13 27.100 0.005 . 1 . . . . . . . . 5345 1
47 . 1 1 6 6 LEU HD11 H 1 0.710 0.005 . 2 . . . . . . . . 5345 1
48 . 1 1 6 6 LEU HD12 H 1 0.710 0.005 . 2 . . . . . . . . 5345 1
49 . 1 1 6 6 LEU HD13 H 1 0.710 0.005 . 2 . . . . . . . . 5345 1
50 . 1 1 6 6 LEU CD2 C 13 24.800 0.005 . 1 . . . . . . . . 5345 1
51 . 1 1 6 6 LEU HD21 H 1 0.650 0.005 . 2 . . . . . . . . 5345 1
52 . 1 1 6 6 LEU HD22 H 1 0.650 0.005 . 2 . . . . . . . . 5345 1
53 . 1 1 6 6 LEU HD23 H 1 0.650 0.005 . 2 . . . . . . . . 5345 1
54 . 1 1 6 6 LEU C C 13 177.861 0.005 . 1 . . . . . . . . 5345 1
55 . 1 1 7 7 TYR N N 15 118.210 0.005 . 1 . . . . . . . . 5345 1
56 . 1 1 7 7 TYR H H 1 7.740 0.005 . 1 . . . . . . . . 5345 1
57 . 1 1 7 7 TYR CA C 13 61.048 0.005 . 1 . . . . . . . . 5345 1
58 . 1 1 7 7 TYR HA H 1 4.276 0.005 . 1 . . . . . . . . 5345 1
59 . 1 1 7 7 TYR CB C 13 37.530 0.005 . 1 . . . . . . . . 5345 1
60 . 1 1 7 7 TYR HB3 H 1 2.733 0.005 . 2 . . . . . . . . 5345 1
61 . 1 1 7 7 TYR HB2 H 1 3.211 0.005 . 2 . . . . . . . . 5345 1
62 . 1 1 7 7 TYR HD1 H 1 7.300 0.005 . 1 . . . . . . . . 5345 1
63 . 1 1 7 7 TYR HE1 H 1 6.480 0.005 . 1 . . . . . . . . 5345 1
64 . 1 1 7 7 TYR HE2 H 1 6.480 0.005 . 1 . . . . . . . . 5345 1
65 . 1 1 7 7 TYR HD2 H 1 7.300 0.005 . 1 . . . . . . . . 5345 1
66 . 1 1 7 7 TYR C C 13 179.012 0.005 . 1 . . . . . . . . 5345 1
67 . 1 1 8 8 ASP N N 15 120.670 0.005 . 1 . . . . . . . . 5345 1
68 . 1 1 8 8 ASP H H 1 7.411 0.005 . 1 . . . . . . . . 5345 1
69 . 1 1 8 8 ASP CA C 13 57.719 0.005 . 1 . . . . . . . . 5345 1
70 . 1 1 8 8 ASP HA H 1 4.490 0.005 . 1 . . . . . . . . 5345 1
71 . 1 1 8 8 ASP CB C 13 41.500 0.005 . 1 . . . . . . . . 5345 1
72 . 1 1 8 8 ASP HB3 H 1 2.722 0.005 . 2 . . . . . . . . 5345 1
73 . 1 1 8 8 ASP HB2 H 1 2.980 0.005 . 2 . . . . . . . . 5345 1
74 . 1 1 8 8 ASP C C 13 179.176 0.005 . 1 . . . . . . . . 5345 1
75 . 1 1 9 9 VAL N N 15 119.200 0.005 . 1 . . . . . . . . 5345 1
76 . 1 1 9 9 VAL H H 1 7.312 0.005 . 1 . . . . . . . . 5345 1
77 . 1 1 9 9 VAL CA C 13 66.044 0.005 . 1 . . . . . . . . 5345 1
78 . 1 1 9 9 VAL HA H 1 3.215 0.005 . 1 . . . . . . . . 5345 1
79 . 1 1 9 9 VAL CB C 13 31.330 0.005 . 1 . . . . . . . . 5345 1
80 . 1 1 9 9 VAL HB H 1 1.670 0.005 . 1 . . . . . . . . 5345 1
81 . 1 1 9 9 VAL CG2 C 13 21.780 0.005 . 1 . . . . . . . . 5345 1
82 . 1 1 9 9 VAL HG21 H 1 0.280 0.005 . 2 . . . . . . . . 5345 1
83 . 1 1 9 9 VAL HG22 H 1 0.280 0.005 . 2 . . . . . . . . 5345 1
84 . 1 1 9 9 VAL HG23 H 1 0.280 0.005 . 2 . . . . . . . . 5345 1
85 . 1 1 9 9 VAL CG1 C 13 23.730 0.005 . 2 . . . . . . . . 5345 1
86 . 1 1 9 9 VAL HG11 H 1 0.690 0.005 . 2 . . . . . . . . 5345 1
87 . 1 1 9 9 VAL HG12 H 1 0.690 0.005 . 2 . . . . . . . . 5345 1
88 . 1 1 9 9 VAL HG13 H 1 0.690 0.005 . 2 . . . . . . . . 5345 1
89 . 1 1 9 9 VAL C C 13 176.651 0.005 . 1 . . . . . . . . 5345 1
90 . 1 1 10 10 ALA N N 15 122.100 0.005 . 1 . . . . . . . . 5345 1
91 . 1 1 10 10 ALA H H 1 8.123 0.005 . 1 . . . . . . . . 5345 1
92 . 1 1 10 10 ALA CA C 13 55.860 0.005 . 1 . . . . . . . . 5345 1
93 . 1 1 10 10 ALA HA H 1 3.493 0.005 . 1 . . . . . . . . 5345 1
94 . 1 1 10 10 ALA CB C 13 17.360 0.005 . 1 . . . . . . . . 5345 1
95 . 1 1 10 10 ALA HB1 H 1 1.549 0.005 . 1 . . . . . . . . 5345 1
96 . 1 1 10 10 ALA HB2 H 1 1.549 0.005 . 1 . . . . . . . . 5345 1
97 . 1 1 10 10 ALA HB3 H 1 1.549 0.005 . 1 . . . . . . . . 5345 1
98 . 1 1 10 10 ALA C C 13 179.219 0.005 . 1 . . . . . . . . 5345 1
99 . 1 1 11 11 GLU N N 15 117.100 0.005 . 1 . . . . . . . . 5345 1
100 . 1 1 11 11 GLU H H 1 7.842 0.005 . 1 . . . . . . . . 5345 1
101 . 1 1 11 11 GLU CA C 13 59.274 0.005 . 1 . . . . . . . . 5345 1
102 . 1 1 11 11 GLU HA H 1 4.106 0.005 . 1 . . . . . . . . 5345 1
103 . 1 1 11 11 GLU CB C 13 29.810 0.005 . 1 . . . . . . . . 5345 1
104 . 1 1 11 11 GLU HB3 H 1 2.170 0.005 . 2 . . . . . . . . 5345 1
105 . 1 1 11 11 GLU HB2 H 1 2.250 0.005 . 2 . . . . . . . . 5345 1
106 . 1 1 11 11 GLU CG C 13 36.000 0.005 . 1 . . . . . . . . 5345 1
107 . 1 1 11 11 GLU HG3 H 1 2.350 0.005 . 2 . . . . . . . . 5345 1
108 . 1 1 11 11 GLU HG2 H 1 2.440 0.005 . 2 . . . . . . . . 5345 1
109 . 1 1 11 11 GLU C C 13 179.144 0.005 . 1 . . . . . . . . 5345 1
110 . 1 1 12 12 TYR N N 15 120.330 0.005 . 1 . . . . . . . . 5345 1
111 . 1 1 12 12 TYR H H 1 7.790 0.005 . 1 . . . . . . . . 5345 1
112 . 1 1 12 12 TYR CA C 13 61.073 0.005 . 1 . . . . . . . . 5345 1
113 . 1 1 12 12 TYR HA H 1 4.135 0.005 . 1 . . . . . . . . 5345 1
114 . 1 1 12 12 TYR CB C 13 39.600 0.005 . 1 . . . . . . . . 5345 1
115 . 1 1 12 12 TYR HB3 H 1 3.023 0.005 . 2 . . . . . . . . 5345 1
116 . 1 1 12 12 TYR HB2 H 1 3.185 0.005 . 2 . . . . . . . . 5345 1
117 . 1 1 12 12 TYR CD1 C 13 31.060 0.005 . 1 . . . . . . . . 5345 1
118 . 1 1 12 12 TYR HD1 H 1 7.078 0.005 . 1 . . . . . . . . 5345 1
119 . 1 1 12 12 TYR HE1 H 1 6.820 0.005 . 1 . . . . . . . . 5345 1
120 . 1 1 12 12 TYR HE2 H 1 6.820 0.005 . 1 . . . . . . . . 5345 1
121 . 1 1 12 12 TYR CD2 C 13 31.060 0.005 . 1 . . . . . . . . 5345 1
122 . 1 1 12 12 TYR HD2 H 1 7.078 0.005 . 1 . . . . . . . . 5345 1
123 . 1 1 12 12 TYR C C 13 177.793 0.005 . 1 . . . . . . . . 5345 1
124 . 1 1 13 13 ALA N N 15 117.220 0.005 . 1 . . . . . . . . 5345 1
125 . 1 1 13 13 ALA H H 1 8.347 0.005 . 1 . . . . . . . . 5345 1
126 . 1 1 13 13 ALA CA C 13 52.347 0.005 . 1 . . . . . . . . 5345 1
127 . 1 1 13 13 ALA HA H 1 4.350 0.005 . 1 . . . . . . . . 5345 1
128 . 1 1 13 13 ALA CB C 13 20.150 0.005 . 1 . . . . . . . . 5345 1
129 . 1 1 13 13 ALA HB1 H 1 1.307 0.005 . 1 . . . . . . . . 5345 1
130 . 1 1 13 13 ALA HB2 H 1 1.307 0.005 . 1 . . . . . . . . 5345 1
131 . 1 1 13 13 ALA HB3 H 1 1.307 0.005 . 1 . . . . . . . . 5345 1
132 . 1 1 13 13 ALA C C 13 176.742 0.005 . 1 . . . . . . . . 5345 1
133 . 1 1 14 14 GLY N N 15 108.300 0.005 . 1 . . . . . . . . 5345 1
134 . 1 1 14 14 GLY H H 1 8.020 0.005 . 1 . . . . . . . . 5345 1
135 . 1 1 14 14 GLY CA C 13 47.042 0.005 . 1 . . . . . . . . 5345 1
136 . 1 1 14 14 GLY HA3 H 1 3.940 0.005 . 1 . . . . . . . . 5345 1
137 . 1 1 14 14 GLY HA2 H 1 3.940 0.005 . 1 . . . . . . . . 5345 1
138 . 1 1 14 14 GLY C C 13 179.295 0.005 . 1 . . . . . . . . 5345 1
139 . 1 1 15 15 VAL N N 15 110.580 0.005 . 1 . . . . . . . . 5345 1
140 . 1 1 15 15 VAL H H 1 7.886 0.005 . 1 . . . . . . . . 5345 1
141 . 1 1 15 15 VAL CA C 13 58.475 0.005 . 1 . . . . . . . . 5345 1
142 . 1 1 15 15 VAL HA H 1 4.920 0.005 . 1 . . . . . . . . 5345 1
143 . 1 1 15 15 VAL CB C 13 35.500 0.005 . 1 . . . . . . . . 5345 1
144 . 1 1 15 15 VAL HB H 1 2.270 0.005 . 1 . . . . . . . . 5345 1
145 . 1 1 15 15 VAL CG2 C 13 18.500 0.005 . 1 . . . . . . . . 5345 1
146 . 1 1 15 15 VAL HG21 H 1 0.670 0.005 . 2 . . . . . . . . 5345 1
147 . 1 1 15 15 VAL HG22 H 1 0.670 0.005 . 2 . . . . . . . . 5345 1
148 . 1 1 15 15 VAL HG23 H 1 0.670 0.005 . 2 . . . . . . . . 5345 1
149 . 1 1 15 15 VAL CG1 C 13 21.370 0.005 . 1 . . . . . . . . 5345 1
150 . 1 1 15 15 VAL HG11 H 1 0.880 0.005 . 2 . . . . . . . . 5345 1
151 . 1 1 15 15 VAL HG12 H 1 0.880 0.005 . 2 . . . . . . . . 5345 1
152 . 1 1 15 15 VAL HG13 H 1 0.880 0.005 . 2 . . . . . . . . 5345 1
153 . 1 1 15 15 VAL C C 13 173.959 0.005 . 1 . . . . . . . . 5345 1
154 . 1 1 16 16 SER N N 15 113.430 0.005 . 1 . . . . . . . . 5345 1
155 . 1 1 16 16 SER H H 1 8.696 0.005 . 1 . . . . . . . . 5345 1
156 . 1 1 16 16 SER CA C 13 58.376 0.005 . 1 . . . . . . . . 5345 1
157 . 1 1 16 16 SER HA H 1 4.930 0.005 . 1 . . . . . . . . 5345 1
158 . 1 1 16 16 SER CB C 13 67.690 0.005 . 1 . . . . . . . . 5345 1
159 . 1 1 16 16 SER HB3 H 1 3.400 0.005 . 2 . . . . . . . . 5345 1
160 . 1 1 16 16 SER C C 13 177.944 0.005 . 1 . . . . . . . . 5345 1
161 . 1 1 17 17 TYR N N 15 118.100 0.005 . 1 . . . . . . . . 5345 1
162 . 1 1 17 17 TYR H H 1 8.302 0.005 . 1 . . . . . . . . 5345 1
163 . 1 1 17 17 TYR CA C 13 60.161 0.005 . 1 . . . . . . . . 5345 1
164 . 1 1 17 17 TYR HA H 1 3.810 0.005 . 1 . . . . . . . . 5345 1
165 . 1 1 17 17 TYR CB C 13 36.670 0.005 . 1 . . . . . . . . 5345 1
166 . 1 1 17 17 TYR HB3 H 1 2.650 0.005 . 1 . . . . . . . . 5345 1
167 . 1 1 17 17 TYR HB2 H 1 2.650 0.005 . 1 . . . . . . . . 5345 1
168 . 1 1 17 17 TYR HD1 H 1 7.020 0.005 . 1 . . . . . . . . 5345 1
169 . 1 1 17 17 TYR HE1 H 1 6.990 0.005 . 1 . . . . . . . . 5345 1
170 . 1 1 17 17 TYR HE2 H 1 6.990 0.005 . 1 . . . . . . . . 5345 1
171 . 1 1 17 17 TYR HD2 H 1 7.020 0.005 . 1 . . . . . . . . 5345 1
172 . 1 1 17 17 TYR C C 13 175.920 0.005 . 1 . . . . . . . . 5345 1
173 . 1 1 18 18 GLN N N 15 121.900 0.005 . 1 . . . . . . . . 5345 1
174 . 1 1 18 18 GLN H H 1 5.600 0.005 . 1 . . . . . . . . 5345 1
175 . 1 1 18 18 GLN CA C 13 56.004 0.005 . 1 . . . . . . . . 5345 1
176 . 1 1 18 18 GLN HA H 1 4.250 0.005 . 1 . . . . . . . . 5345 1
177 . 1 1 18 18 GLN CB C 13 28.150 0.005 . 1 . . . . . . . . 5345 1
178 . 1 1 18 18 GLN HB3 H 1 2.340 0.005 . 2 . . . . . . . . 5345 1
179 . 1 1 18 18 GLN HB2 H 1 2.230 0.005 . 2 . . . . . . . . 5345 1
180 . 1 1 18 18 GLN HG3 H 1 2.450 0.005 . 1 . . . . . . . . 5345 1
181 . 1 1 18 18 GLN HG2 H 1 2.450 0.005 . 1 . . . . . . . . 5345 1
182 . 1 1 18 18 GLN NE2 N 15 110.650 0.005 . 1 . . . . . . . . 5345 1
183 . 1 1 18 18 GLN HE21 H 1 6.651 0.005 . 2 . . . . . . . . 5345 1
184 . 1 1 18 18 GLN HE22 H 1 7.244 0.005 . 2 . . . . . . . . 5345 1
185 . 1 1 18 18 GLN C C 13 177.943 0.005 . 1 . . . . . . . . 5345 1
186 . 1 1 19 19 THR N N 15 120.620 0.005 . 1 . . . . . . . . 5345 1
187 . 1 1 19 19 THR H H 1 7.252 0.005 . 1 . . . . . . . . 5345 1
188 . 1 1 19 19 THR CA C 13 66.493 0.005 . 1 . . . . . . . . 5345 1
189 . 1 1 19 19 THR HA H 1 3.920 0.005 . 1 . . . . . . . . 5345 1
190 . 1 1 19 19 THR CB C 13 66.500 0.005 . 1 . . . . . . . . 5345 1
191 . 1 1 19 19 THR HB H 1 4.275 0.005 . 1 . . . . . . . . 5345 1
192 . 1 1 19 19 THR CG2 C 13 24.100 0.005 . 1 . . . . . . . . 5345 1
193 . 1 1 19 19 THR HG21 H 1 1.111 0.005 . 1 . . . . . . . . 5345 1
194 . 1 1 19 19 THR HG22 H 1 1.111 0.005 . 1 . . . . . . . . 5345 1
195 . 1 1 19 19 THR HG23 H 1 1.111 0.005 . 1 . . . . . . . . 5345 1
196 . 1 1 19 19 THR C C 13 175.784 0.005 . 1 . . . . . . . . 5345 1
197 . 1 1 20 20 VAL N N 15 120.120 0.005 . 1 . . . . . . . . 5345 1
198 . 1 1 20 20 VAL H H 1 7.078 0.005 . 1 . . . . . . . . 5345 1
199 . 1 1 20 20 VAL CA C 13 67.920 0.005 . 1 . . . . . . . . 5345 1
200 . 1 1 20 20 VAL HA H 1 3.380 0.005 . 1 . . . . . . . . 5345 1
201 . 1 1 20 20 VAL CB C 13 30.000 0.005 . 1 . . . . . . . . 5345 1
202 . 1 1 20 20 VAL HB H 1 2.280 0.005 . 1 . . . . . . . . 5345 1
203 . 1 1 20 20 VAL CG2 C 13 21.900 0.005 . 1 . . . . . . . . 5345 1
204 . 1 1 20 20 VAL HG21 H 1 0.780 0.005 . 2 . . . . . . . . 5345 1
205 . 1 1 20 20 VAL HG22 H 1 0.780 0.005 . 2 . . . . . . . . 5345 1
206 . 1 1 20 20 VAL HG23 H 1 0.780 0.005 . 2 . . . . . . . . 5345 1
207 . 1 1 20 20 VAL CG1 C 13 21.300 0.005 . 1 . . . . . . . . 5345 1
208 . 1 1 20 20 VAL HG11 H 1 0.775 0.005 . 2 . . . . . . . . 5345 1
209 . 1 1 20 20 VAL HG12 H 1 0.775 0.005 . 2 . . . . . . . . 5345 1
210 . 1 1 20 20 VAL HG13 H 1 0.775 0.005 . 2 . . . . . . . . 5345 1
211 . 1 1 20 20 VAL C C 13 176.742 0.005 . 1 . . . . . . . . 5345 1
212 . 1 1 21 21 SER N N 15 113.180 0.005 . 1 . . . . . . . . 5345 1
213 . 1 1 21 21 SER H H 1 7.659 0.005 . 1 . . . . . . . . 5345 1
214 . 1 1 21 21 SER CA C 13 61.873 0.005 . 1 . . . . . . . . 5345 1
215 . 1 1 21 21 SER HA H 1 3.970 0.005 . 1 . . . . . . . . 5345 1
216 . 1 1 21 21 SER HB3 H 1 3.710 0.005 . 1 . . . . . . . . 5345 1
217 . 1 1 21 21 SER HB2 H 1 3.710 0.005 . 1 . . . . . . . . 5345 1
218 . 1 1 21 21 SER C C 13 178.878 0.005 . 1 . . . . . . . . 5345 1
219 . 1 1 22 22 ARG N N 15 118.300 0.005 . 1 . . . . . . . . 5345 1
220 . 1 1 22 22 ARG H H 1 8.148 0.005 . 1 . . . . . . . . 5345 1
221 . 1 1 22 22 ARG CA C 13 60.539 0.005 . 1 . . . . . . . . 5345 1
222 . 1 1 22 22 ARG HA H 1 3.970 0.005 . 1 . . . . . . . . 5345 1
223 . 1 1 22 22 ARG CB C 13 32.610 0.005 . 1 . . . . . . . . 5345 1
224 . 1 1 22 22 ARG HB3 H 1 1.910 0.005 . 2 . . . . . . . . 5345 1
225 . 1 1 22 22 ARG HB2 H 1 1.750 0.005 . 2 . . . . . . . . 5345 1
226 . 1 1 22 22 ARG HG3 H 1 1.650 0.005 . 1 . . . . . . . . 5345 1
227 . 1 1 22 22 ARG HG2 H 1 1.650 0.005 . 1 . . . . . . . . 5345 1
228 . 1 1 22 22 ARG HD3 H 1 3.540 0.005 . 1 . . . . . . . . 5345 1
229 . 1 1 22 22 ARG HD2 H 1 3.540 0.005 . 1 . . . . . . . . 5345 1
230 . 1 1 22 22 ARG NE N 15 87.800 0.005 . 1 . . . . . . . . 5345 1
231 . 1 1 22 22 ARG HE H 1 7.050 0.005 . 1 . . . . . . . . 5345 1
232 . 1 1 22 22 ARG C C 13 178.619 0.005 . 1 . . . . . . . . 5345 1
233 . 1 1 23 23 VAL N N 15 119.320 0.005 . 1 . . . . . . . . 5345 1
234 . 1 1 23 23 VAL H H 1 7.821 0.005 . 1 . . . . . . . . 5345 1
235 . 1 1 23 23 VAL CA C 13 67.187 0.005 . 1 . . . . . . . . 5345 1
236 . 1 1 23 23 VAL HA H 1 3.680 0.005 . 1 . . . . . . . . 5345 1
237 . 1 1 23 23 VAL CB C 13 31.650 0.005 . 1 . . . . . . . . 5345 1
238 . 1 1 23 23 VAL HB H 1 2.262 0.005 . 1 . . . . . . . . 5345 1
239 . 1 1 23 23 VAL CG2 C 13 21.100 0.005 . 1 . . . . . . . . 5345 1
240 . 1 1 23 23 VAL HG21 H 1 0.900 0.005 . 2 . . . . . . . . 5345 1
241 . 1 1 23 23 VAL HG22 H 1 0.900 0.005 . 2 . . . . . . . . 5345 1
242 . 1 1 23 23 VAL HG23 H 1 0.900 0.005 . 2 . . . . . . . . 5345 1
243 . 1 1 23 23 VAL CG1 C 13 24.700 0.005 . 1 . . . . . . . . 5345 1
244 . 1 1 23 23 VAL HG11 H 1 1.072 0.005 . 2 . . . . . . . . 5345 1
245 . 1 1 23 23 VAL HG12 H 1 1.072 0.005 . 2 . . . . . . . . 5345 1
246 . 1 1 23 23 VAL HG13 H 1 1.072 0.005 . 2 . . . . . . . . 5345 1
247 . 1 1 23 23 VAL C C 13 180.465 0.005 . 1 . . . . . . . . 5345 1
248 . 1 1 24 24 VAL N N 15 123.200 0.005 . 1 . . . . . . . . 5345 1
249 . 1 1 24 24 VAL H H 1 8.886 0.005 . 1 . . . . . . . . 5345 1
250 . 1 1 24 24 VAL CA C 13 66.528 0.005 . 1 . . . . . . . . 5345 1
251 . 1 1 24 24 VAL HA H 1 3.625 0.005 . 1 . . . . . . . . 5345 1
252 . 1 1 24 24 VAL CB C 13 32.060 0.005 . 1 . . . . . . . . 5345 1
253 . 1 1 24 24 VAL HB H 1 2.256 0.005 . 1 . . . . . . . . 5345 1
254 . 1 1 24 24 VAL CG2 C 13 20.300 0.005 . 1 . . . . . . . . 5345 1
255 . 1 1 24 24 VAL HG21 H 1 0.923 0.005 . 2 . . . . . . . . 5345 1
256 . 1 1 24 24 VAL HG22 H 1 0.923 0.005 . 2 . . . . . . . . 5345 1
257 . 1 1 24 24 VAL HG23 H 1 0.923 0.005 . 2 . . . . . . . . 5345 1
258 . 1 1 24 24 VAL CG1 C 13 24.160 0.005 . 1 . . . . . . . . 5345 1
259 . 1 1 24 24 VAL HG11 H 1 1.170 0.005 . 2 . . . . . . . . 5345 1
260 . 1 1 24 24 VAL HG12 H 1 1.170 0.005 . 2 . . . . . . . . 5345 1
261 . 1 1 24 24 VAL HG13 H 1 1.170 0.005 . 2 . . . . . . . . 5345 1
262 . 1 1 24 24 VAL C C 13 177.161 0.005 . 1 . . . . . . . . 5345 1
263 . 1 1 25 25 ASN N N 15 114.300 0.005 . 1 . . . . . . . . 5345 1
264 . 1 1 25 25 ASN H H 1 7.796 0.005 . 1 . . . . . . . . 5345 1
265 . 1 1 25 25 ASN CA C 13 54.863 0.005 . 1 . . . . . . . . 5345 1
266 . 1 1 25 25 ASN HA H 1 4.620 0.005 . 1 . . . . . . . . 5345 1
267 . 1 1 25 25 ASN CB C 13 39.570 0.005 . 1 . . . . . . . . 5345 1
268 . 1 1 25 25 ASN HB3 H 1 2.587 0.005 . 2 . . . . . . . . 5345 1
269 . 1 1 25 25 ASN HB2 H 1 2.800 0.005 . 2 . . . . . . . . 5345 1
270 . 1 1 25 25 ASN ND2 N 15 118.873 0.005 . 1 . . . . . . . . 5345 1
271 . 1 1 25 25 ASN HD21 H 1 7.479 0.005 . 2 . . . . . . . . 5345 1
272 . 1 1 25 25 ASN HD22 H 1 7.941 0.005 . 2 . . . . . . . . 5345 1
273 . 1 1 25 25 ASN C C 13 173.549 0.005 . 1 . . . . . . . . 5345 1
274 . 1 1 26 26 GLN N N 15 116.903 0.005 . 1 . . . . . . . . 5345 1
275 . 1 1 26 26 GLN H H 1 7.879 0.005 . 1 . . . . . . . . 5345 1
276 . 1 1 26 26 GLN CA C 13 56.687 0.005 . 1 . . . . . . . . 5345 1
277 . 1 1 26 26 GLN HA H 1 3.960 0.005 . 1 . . . . . . . . 5345 1
278 . 1 1 26 26 GLN CB C 13 25.950 0.005 . 1 . . . . . . . . 5345 1
279 . 1 1 26 26 GLN HB3 H 1 2.230 0.005 . 1 . . . . . . . . 5345 1
280 . 1 1 26 26 GLN HB2 H 1 2.230 0.005 . 1 . . . . . . . . 5345 1
281 . 1 1 26 26 GLN CG C 13 34.100 0.005 . 1 . . . . . . . . 5345 1
282 . 1 1 26 26 GLN HG3 H 1 2.266 0.005 . 1 . . . . . . . . 5345 1
283 . 1 1 26 26 GLN HG2 H 1 2.266 0.005 . 1 . . . . . . . . 5345 1
284 . 1 1 26 26 GLN NE2 N 15 111.900 0.005 . 1 . . . . . . . . 5345 1
285 . 1 1 26 26 GLN HE21 H 1 6.675 0.005 . 2 . . . . . . . . 5345 1
286 . 1 1 26 26 GLN HE22 H 1 7.373 0.005 . 2 . . . . . . . . 5345 1
287 . 1 1 26 26 GLN C C 13 175.316 0.005 . 1 . . . . . . . . 5345 1
288 . 1 1 27 27 ALA N N 15 120.705 0.005 . 1 . . . . . . . . 5345 1
289 . 1 1 27 27 ALA H H 1 8.559 0.005 . 1 . . . . . . . . 5345 1
290 . 1 1 27 27 ALA CA C 13 52.234 0.005 . 1 . . . . . . . . 5345 1
291 . 1 1 27 27 ALA HA H 1 4.248 0.005 . 1 . . . . . . . . 5345 1
292 . 1 1 27 27 ALA CB C 13 20.150 0.005 . 1 . . . . . . . . 5345 1
293 . 1 1 27 27 ALA HB1 H 1 1.382 0.005 . 1 . . . . . . . . 5345 1
294 . 1 1 27 27 ALA HB2 H 1 1.382 0.005 . 1 . . . . . . . . 5345 1
295 . 1 1 27 27 ALA HB3 H 1 1.382 0.005 . 1 . . . . . . . . 5345 1
296 . 1 1 27 27 ALA C C 13 178.100 0.005 . 1 . . . . . . . . 5345 1
297 . 1 1 28 28 SER N N 15 113.687 0.005 . 1 . . . . . . . . 5345 1
298 . 1 1 28 28 SER H H 1 8.115 0.005 . 1 . . . . . . . . 5345 1
299 . 1 1 28 28 SER CA C 13 59.210 0.005 . 1 . . . . . . . . 5345 1
300 . 1 1 28 28 SER HA H 1 4.172 0.005 . 1 . . . . . . . . 5345 1
301 . 1 1 28 28 SER CB C 13 63.820 0.005 . 1 . . . . . . . . 5345 1
302 . 1 1 28 28 SER HB3 H 1 3.440 0.005 . 1 . . . . . . . . 5345 1
303 . 1 1 28 28 SER HB2 H 1 3.440 0.005 . 1 . . . . . . . . 5345 1
304 . 1 1 28 28 SER C C 13 174.834 0.005 . 1 . . . . . . . . 5345 1
305 . 1 1 29 29 HIS N N 15 113.800 0.005 . 1 . . . . . . . . 5345 1
306 . 1 1 29 29 HIS H H 1 8.206 0.005 . 1 . . . . . . . . 5345 1
307 . 1 1 29 29 HIS CA C 13 55.589 0.005 . 1 . . . . . . . . 5345 1
308 . 1 1 29 29 HIS HA H 1 5.010 0.005 . 1 . . . . . . . . 5345 1
309 . 1 1 29 29 HIS CB C 13 26.910 0.005 . 1 . . . . . . . . 5345 1
310 . 1 1 29 29 HIS HB3 H 1 2.635 0.005 . 2 . . . . . . . . 5345 1
311 . 1 1 29 29 HIS HB2 H 1 3.296 0.005 . 2 . . . . . . . . 5345 1
312 . 1 1 29 29 HIS HD2 H 1 7.350 0.005 . 1 . . . . . . . . 5345 1
313 . 1 1 29 29 HIS HE1 H 1 8.820 0.005 . 1 . . . . . . . . 5345 1
314 . 1 1 29 29 HIS C C 13 173.817 0.005 . 1 . . . . . . . . 5345 1
315 . 1 1 30 30 VAL N N 15 118.536 0.005 . 1 . . . . . . . . 5345 1
316 . 1 1 30 30 VAL H H 1 7.571 0.005 . 1 . . . . . . . . 5345 1
317 . 1 1 30 30 VAL CA C 13 60.527 0.005 . 1 . . . . . . . . 5345 1
318 . 1 1 30 30 VAL HA H 1 4.700 0.005 . 1 . . . . . . . . 5345 1
319 . 1 1 30 30 VAL CB C 13 33.560 0.005 . 1 . . . . . . . . 5345 1
320 . 1 1 30 30 VAL HB H 1 1.780 0.005 . 1 . . . . . . . . 5345 1
321 . 1 1 30 30 VAL CG2 C 13 21.700 0.005 . 1 . . . . . . . . 5345 1
322 . 1 1 30 30 VAL HG21 H 1 0.776 0.005 . 2 . . . . . . . . 5345 1
323 . 1 1 30 30 VAL HG22 H 1 0.776 0.005 . 2 . . . . . . . . 5345 1
324 . 1 1 30 30 VAL HG23 H 1 0.776 0.005 . 2 . . . . . . . . 5345 1
325 . 1 1 30 30 VAL CG1 C 13 21.800 0.005 . 1 . . . . . . . . 5345 1
326 . 1 1 30 30 VAL HG11 H 1 0.990 0.005 . 2 . . . . . . . . 5345 1
327 . 1 1 30 30 VAL HG12 H 1 0.990 0.005 . 2 . . . . . . . . 5345 1
328 . 1 1 30 30 VAL HG13 H 1 0.990 0.005 . 2 . . . . . . . . 5345 1
329 . 1 1 30 30 VAL C C 13 177.259 0.005 . 1 . . . . . . . . 5345 1
330 . 1 1 31 31 SER N N 15 126.310 0.005 . 1 . . . . . . . . 5345 1
331 . 1 1 31 31 SER H H 1 9.719 0.005 . 1 . . . . . . . . 5345 1
332 . 1 1 31 31 SER CA C 13 58.914 0.005 . 1 . . . . . . . . 5345 1
333 . 1 1 31 31 SER HA H 1 4.485 0.005 . 1 . . . . . . . . 5345 1
334 . 1 1 31 31 SER CB C 13 64.340 0.005 . 1 . . . . . . . . 5345 1
335 . 1 1 31 31 SER HB3 H 1 4.032 0.005 . 2 . . . . . . . . 5345 1
336 . 1 1 31 31 SER HB2 H 1 4.325 0.005 . 2 . . . . . . . . 5345 1
337 . 1 1 31 31 SER C C 13 174.565 0.005 . 1 . . . . . . . . 5345 1
338 . 1 1 32 32 ALA N N 15 126.200 0.005 . 1 . . . . . . . . 5345 1
339 . 1 1 32 32 ALA H H 1 8.955 0.005 . 1 . . . . . . . . 5345 1
340 . 1 1 32 32 ALA CA C 13 56.193 0.005 . 1 . . . . . . . . 5345 1
341 . 1 1 32 32 ALA HA H 1 4.086 0.005 . 1 . . . . . . . . 5345 1
342 . 1 1 32 32 ALA CB C 13 18.110 0.005 . 1 . . . . . . . . 5345 1
343 . 1 1 32 32 ALA HB1 H 1 1.487 0.005 . 1 . . . . . . . . 5345 1
344 . 1 1 32 32 ALA HB2 H 1 1.487 0.005 . 1 . . . . . . . . 5345 1
345 . 1 1 32 32 ALA HB3 H 1 1.487 0.005 . 1 . . . . . . . . 5345 1
346 . 1 1 32 32 ALA C C 13 180.666 0.005 . 1 . . . . . . . . 5345 1
347 . 1 1 33 33 LYS N N 15 116.500 0.005 . 1 . . . . . . . . 5345 1
348 . 1 1 33 33 LYS H H 1 8.424 0.005 . 1 . . . . . . . . 5345 1
349 . 1 1 33 33 LYS CA C 13 59.051 0.005 . 1 . . . . . . . . 5345 1
350 . 1 1 33 33 LYS HA H 1 4.105 0.005 . 1 . . . . . . . . 5345 1
351 . 1 1 33 33 LYS CB C 13 31.850 0.005 . 1 . . . . . . . . 5345 1
352 . 1 1 33 33 LYS HB3 H 1 1.796 0.005 . 2 . . . . . . . . 5345 1
353 . 1 1 33 33 LYS HB2 H 1 1.890 0.005 . 2 . . . . . . . . 5345 1
354 . 1 1 33 33 LYS CG C 13 24.700 0.005 . 1 . . . . . . . . 5345 1
355 . 1 1 33 33 LYS HG3 H 1 1.433 0.005 . 1 . . . . . . . . 5345 1
356 . 1 1 33 33 LYS HG2 H 1 1.433 0.005 . 1 . . . . . . . . 5345 1
357 . 1 1 33 33 LYS CD C 13 28.900 0.005 . 1 . . . . . . . . 5345 1
358 . 1 1 33 33 LYS HD3 H 1 1.661 0.005 . 1 . . . . . . . . 5345 1
359 . 1 1 33 33 LYS HD2 H 1 1.661 0.005 . 1 . . . . . . . . 5345 1
360 . 1 1 33 33 LYS HE3 H 1 2.969 0.005 . 1 . . . . . . . . 5345 1
361 . 1 1 33 33 LYS HE2 H 1 2.969 0.005 . 1 . . . . . . . . 5345 1
362 . 1 1 33 33 LYS C C 13 179.339 0.005 . 1 . . . . . . . . 5345 1
363 . 1 1 34 34 THR N N 15 120.040 0.005 . 1 . . . . . . . . 5345 1
364 . 1 1 34 34 THR H H 1 7.571 0.005 . 1 . . . . . . . . 5345 1
365 . 1 1 34 34 THR CA C 13 66.426 0.005 . 1 . . . . . . . . 5345 1
366 . 1 1 34 34 THR HA H 1 3.759 0.005 . 1 . . . . . . . . 5345 1
367 . 1 1 34 34 THR CB C 13 67.150 0.005 . 1 . . . . . . . . 5345 1
368 . 1 1 34 34 THR HB H 1 4.281 0.005 . 1 . . . . . . . . 5345 1
369 . 1 1 34 34 THR CG2 C 13 24.600 0.005 . 1 . . . . . . . . 5345 1
370 . 1 1 34 34 THR HG21 H 1 1.051 0.005 . 1 . . . . . . . . 5345 1
371 . 1 1 34 34 THR HG22 H 1 1.051 0.005 . 1 . . . . . . . . 5345 1
372 . 1 1 34 34 THR HG23 H 1 1.051 0.005 . 1 . . . . . . . . 5345 1
373 . 1 1 34 34 THR C C 13 175.493 0.005 . 1 . . . . . . . . 5345 1
374 . 1 1 35 35 ARG N N 15 123.130 0.005 . 1 . . . . . . . . 5345 1
375 . 1 1 35 35 ARG H H 1 8.937 0.005 . 1 . . . . . . . . 5345 1
376 . 1 1 35 35 ARG CA C 13 60.948 0.005 . 1 . . . . . . . . 5345 1
377 . 1 1 35 35 ARG HA H 1 3.650 0.005 . 1 . . . . . . . . 5345 1
378 . 1 1 35 35 ARG CB C 13 29.810 0.005 . 1 . . . . . . . . 5345 1
379 . 1 1 35 35 ARG HB3 H 1 1.863 0.005 . 1 . . . . . . . . 5345 1
380 . 1 1 35 35 ARG HB2 H 1 1.863 0.005 . 1 . . . . . . . . 5345 1
381 . 1 1 35 35 ARG CG C 13 27.800 0.005 . 1 . . . . . . . . 5345 1
382 . 1 1 35 35 ARG HG3 H 1 1.525 0.005 . 1 . . . . . . . . 5345 1
383 . 1 1 35 35 ARG HG2 H 1 1.525 0.005 . 1 . . . . . . . . 5345 1
384 . 1 1 35 35 ARG CD C 13 43.500 0.005 . 1 . . . . . . . . 5345 1
385 . 1 1 35 35 ARG HD3 H 1 3.240 0.005 . 1 . . . . . . . . 5345 1
386 . 1 1 35 35 ARG HD2 H 1 3.240 0.005 . 1 . . . . . . . . 5345 1
387 . 1 1 35 35 ARG NE N 15 88.600 0.005 . 1 . . . . . . . . 5345 1
388 . 1 1 35 35 ARG HE H 1 7.504 0.005 . 1 . . . . . . . . 5345 1
389 . 1 1 35 35 ARG C C 13 178.033 0.005 . 1 . . . . . . . . 5345 1
390 . 1 1 36 36 GLU N N 15 117.223 0.005 . 1 . . . . . . . . 5345 1
391 . 1 1 36 36 GLU H H 1 8.052 0.005 . 1 . . . . . . . . 5345 1
392 . 1 1 36 36 GLU CA C 13 59.827 0.005 . 1 . . . . . . . . 5345 1
393 . 1 1 36 36 GLU HA H 1 4.065 0.005 . 1 . . . . . . . . 5345 1
394 . 1 1 36 36 GLU CB C 13 29.750 0.005 . 1 . . . . . . . . 5345 1
395 . 1 1 36 36 GLU HB3 H 1 2.135 0.005 . 1 . . . . . . . . 5345 1
396 . 1 1 36 36 GLU HB2 H 1 2.135 0.005 . 1 . . . . . . . . 5345 1
397 . 1 1 36 36 GLU CG C 13 36.200 0.005 . 1 . . . . . . . . 5345 1
398 . 1 1 36 36 GLU HG3 H 1 2.240 0.005 . 2 . . . . . . . . 5345 1
399 . 1 1 36 36 GLU HG2 H 1 2.470 0.005 . 2 . . . . . . . . 5345 1
400 . 1 1 36 36 GLU C C 13 179.583 0.005 . 1 . . . . . . . . 5345 1
401 . 1 1 37 37 LYS N N 15 119.422 0.005 . 1 . . . . . . . . 5345 1
402 . 1 1 37 37 LYS H H 1 7.652 0.005 . 1 . . . . . . . . 5345 1
403 . 1 1 37 37 LYS CA C 13 59.691 0.005 . 1 . . . . . . . . 5345 1
404 . 1 1 37 37 LYS HA H 1 4.180 0.005 . 1 . . . . . . . . 5345 1
405 . 1 1 37 37 LYS CB C 13 32.920 0.005 . 1 . . . . . . . . 5345 1
406 . 1 1 37 37 LYS HB3 H 1 1.982 0.005 . 2 . . . . . . . . 5345 1
407 . 1 1 37 37 LYS HB2 H 1 2.080 0.005 . 2 . . . . . . . . 5345 1
408 . 1 1 37 37 LYS CG C 13 24.800 0.005 . 1 . . . . . . . . 5345 1
409 . 1 1 37 37 LYS HG3 H 1 1.580 0.005 . 2 . . . . . . . . 5345 1
410 . 1 1 37 37 LYS HG2 H 1 1.670 0.005 . 2 . . . . . . . . 5345 1
411 . 1 1 37 37 LYS CD C 13 29.400 0.005 . 1 . . . . . . . . 5345 1
412 . 1 1 37 37 LYS HD3 H 1 1.792 0.005 . 1 . . . . . . . . 5345 1
413 . 1 1 37 37 LYS HD2 H 1 1.792 0.005 . 1 . . . . . . . . 5345 1
414 . 1 1 37 37 LYS CE C 13 42.050 0.005 . 1 . . . . . . . . 5345 1
415 . 1 1 37 37 LYS HE3 H 1 2.961 0.005 . 1 . . . . . . . . 5345 1
416 . 1 1 37 37 LYS HE2 H 1 2.961 0.005 . 1 . . . . . . . . 5345 1
417 . 1 1 37 37 LYS C C 13 179.941 0.005 . 1 . . . . . . . . 5345 1
418 . 1 1 38 38 VAL N N 15 120.450 0.005 . 1 . . . . . . . . 5345 1
419 . 1 1 38 38 VAL H H 1 8.325 0.005 . 1 . . . . . . . . 5345 1
420 . 1 1 38 38 VAL CA C 13 67.156 0.005 . 1 . . . . . . . . 5345 1
421 . 1 1 38 38 VAL HA H 1 3.484 0.005 . 1 . . . . . . . . 5345 1
422 . 1 1 38 38 VAL CB C 13 31.520 0.005 . 1 . . . . . . . . 5345 1
423 . 1 1 38 38 VAL HB H 1 2.175 0.005 . 1 . . . . . . . . 5345 1
424 . 1 1 38 38 VAL CG2 C 13 23.400 0.005 . 1 . . . . . . . . 5345 1
425 . 1 1 38 38 VAL HG21 H 1 0.920 0.005 . 2 . . . . . . . . 5345 1
426 . 1 1 38 38 VAL HG22 H 1 0.920 0.005 . 2 . . . . . . . . 5345 1
427 . 1 1 38 38 VAL HG23 H 1 0.920 0.005 . 2 . . . . . . . . 5345 1
428 . 1 1 38 38 VAL CG1 C 13 24.400 0.005 . 1 . . . . . . . . 5345 1
429 . 1 1 38 38 VAL HG11 H 1 0.895 0.005 . 2 . . . . . . . . 5345 1
430 . 1 1 38 38 VAL HG12 H 1 0.895 0.005 . 2 . . . . . . . . 5345 1
431 . 1 1 38 38 VAL HG13 H 1 0.895 0.005 . 2 . . . . . . . . 5345 1
432 . 1 1 38 38 VAL C C 13 177.909 0.005 . 1 . . . . . . . . 5345 1
433 . 1 1 39 39 GLU N N 15 120.848 0.005 . 1 . . . . . . . . 5345 1
434 . 1 1 39 39 GLU H H 1 9.080 0.005 . 1 . . . . . . . . 5345 1
435 . 1 1 39 39 GLU CA C 13 60.789 0.005 . 1 . . . . . . . . 5345 1
436 . 1 1 39 39 GLU HA H 1 4.065 0.005 . 1 . . . . . . . . 5345 1
437 . 1 1 39 39 GLU CB C 13 29.550 0.005 . 1 . . . . . . . . 5345 1
438 . 1 1 39 39 GLU HB3 H 1 2.140 0.005 . 1 . . . . . . . . 5345 1
439 . 1 1 39 39 GLU HB2 H 1 2.140 0.005 . 1 . . . . . . . . 5345 1
440 . 1 1 39 39 GLU CG C 13 37.600 0.005 . 1 . . . . . . . . 5345 1
441 . 1 1 39 39 GLU HG3 H 1 2.090 0.005 . 2 . . . . . . . . 5345 1
442 . 1 1 39 39 GLU HG2 H 1 2.510 0.005 . 2 . . . . . . . . 5345 1
443 . 1 1 39 39 GLU C C 13 180.245 0.005 . 1 . . . . . . . . 5345 1
444 . 1 1 40 40 ALA N N 15 122.222 0.005 . 1 . . . . . . . . 5345 1
445 . 1 1 40 40 ALA H H 1 8.066 0.005 . 1 . . . . . . . . 5345 1
446 . 1 1 40 40 ALA CA C 13 55.432 0.005 . 1 . . . . . . . . 5345 1
447 . 1 1 40 40 ALA HA H 1 4.253 0.005 . 1 . . . . . . . . 5345 1
448 . 1 1 40 40 ALA CB C 13 17.900 0.005 . 1 . . . . . . . . 5345 1
449 . 1 1 40 40 ALA HB1 H 1 1.580 0.005 . 1 . . . . . . . . 5345 1
450 . 1 1 40 40 ALA HB2 H 1 1.580 0.005 . 1 . . . . . . . . 5345 1
451 . 1 1 40 40 ALA HB3 H 1 1.580 0.005 . 1 . . . . . . . . 5345 1
452 . 1 1 40 40 ALA C C 13 180.108 0.005 . 1 . . . . . . . . 5345 1
453 . 1 1 41 41 ALA N N 15 121.641 0.005 . 1 . . . . . . . . 5345 1
454 . 1 1 41 41 ALA H H 1 7.642 0.005 . 1 . . . . . . . . 5345 1
455 . 1 1 41 41 ALA CA C 13 55.325 0.005 . 1 . . . . . . . . 5345 1
456 . 1 1 41 41 ALA HA H 1 3.963 0.005 . 1 . . . . . . . . 5345 1
457 . 1 1 41 41 ALA CB C 13 20.440 0.005 . 1 . . . . . . . . 5345 1
458 . 1 1 41 41 ALA HB1 H 1 1.610 0.005 . 1 . . . . . . . . 5345 1
459 . 1 1 41 41 ALA HB2 H 1 1.610 0.005 . 1 . . . . . . . . 5345 1
460 . 1 1 41 41 ALA HB3 H 1 1.610 0.005 . 1 . . . . . . . . 5345 1
461 . 1 1 41 41 ALA C C 13 179.173 0.005 . 1 . . . . . . . . 5345 1
462 . 1 1 42 42 MET N N 15 115.710 0.005 . 1 . . . . . . . . 5345 1
463 . 1 1 42 42 MET H H 1 8.655 0.005 . 1 . . . . . . . . 5345 1
464 . 1 1 42 42 MET CA C 13 60.746 0.005 . 1 . . . . . . . . 5345 1
465 . 1 1 42 42 MET HA H 1 3.710 0.005 . 1 . . . . . . . . 5345 1
466 . 1 1 42 42 MET CB C 13 33.880 0.005 . 1 . . . . . . . . 5345 1
467 . 1 1 42 42 MET HB3 H 1 0.000 0.005 . 2 . . . . . . . . 5345 1
468 . 1 1 42 42 MET HB2 H 1 2.305 0.005 . 2 . . . . . . . . 5345 1
469 . 1 1 42 42 MET CG C 13 32.010 0.005 . 1 . . . . . . . . 5345 1
470 . 1 1 42 42 MET HG3 H 1 2.950 0.005 . 1 . . . . . . . . 5345 1
471 . 1 1 42 42 MET HG2 H 1 2.950 0.005 . 1 . . . . . . . . 5345 1
472 . 1 1 42 42 MET CE C 13 16.200 0.005 . 1 . . . . . . . . 5345 1
473 . 1 1 42 42 MET HE1 H 1 2.083 0.005 . 1 . . . . . . . . 5345 1
474 . 1 1 42 42 MET HE2 H 1 2.083 0.005 . 1 . . . . . . . . 5345 1
475 . 1 1 42 42 MET HE3 H 1 2.083 0.005 . 1 . . . . . . . . 5345 1
476 . 1 1 42 42 MET C C 13 178.142 0.005 . 1 . . . . . . . . 5345 1
477 . 1 1 43 43 ALA N N 15 120.291 0.005 . 1 . . . . . . . . 5345 1
478 . 1 1 43 43 ALA H H 1 7.675 0.005 . 1 . . . . . . . . 5345 1
479 . 1 1 43 43 ALA CA C 13 54.870 0.005 . 1 . . . . . . . . 5345 1
480 . 1 1 43 43 ALA HA H 1 4.240 0.005 . 1 . . . . . . . . 5345 1
481 . 1 1 43 43 ALA CB C 13 18.330 0.005 . 1 . . . . . . . . 5345 1
482 . 1 1 43 43 ALA HB1 H 1 1.530 0.005 . 1 . . . . . . . . 5345 1
483 . 1 1 43 43 ALA HB2 H 1 1.530 0.005 . 1 . . . . . . . . 5345 1
484 . 1 1 43 43 ALA HB3 H 1 1.530 0.005 . 1 . . . . . . . . 5345 1
485 . 1 1 43 43 ALA C C 13 180.831 0.005 . 1 . . . . . . . . 5345 1
486 . 1 1 44 44 GLU N N 15 119.696 0.005 . 1 . . . . . . . . 5345 1
487 . 1 1 44 44 GLU H H 1 8.157 0.005 . 1 . . . . . . . . 5345 1
488 . 1 1 44 44 GLU CA C 13 59.244 0.005 . 1 . . . . . . . . 5345 1
489 . 1 1 44 44 GLU HA H 1 3.963 0.005 . 1 . . . . . . . . 5345 1
490 . 1 1 44 44 GLU CB C 13 29.700 0.005 . 1 . . . . . . . . 5345 1
491 . 1 1 44 44 GLU HB3 H 1 1.850 0.005 . 2 . . . . . . . . 5345 1
492 . 1 1 44 44 GLU HB2 H 1 2.065 0.005 . 2 . . . . . . . . 5345 1
493 . 1 1 44 44 GLU CG C 13 35.800 0.005 . 1 . . . . . . . . 5345 1
494 . 1 1 44 44 GLU HG3 H 1 2.330 0.005 . 1 . . . . . . . . 5345 1
495 . 1 1 44 44 GLU HG2 H 1 2.330 0.005 . 1 . . . . . . . . 5345 1
496 . 1 1 44 44 GLU C C 13 178.490 0.005 . 1 . . . . . . . . 5345 1
497 . 1 1 45 45 LEU N N 15 114.685 0.005 . 1 . . . . . . . . 5345 1
498 . 1 1 45 45 LEU H H 1 7.660 0.005 . 1 . . . . . . . . 5345 1
499 . 1 1 45 45 LEU CA C 13 54.642 0.005 . 1 . . . . . . . . 5345 1
500 . 1 1 45 45 LEU HA H 1 4.172 0.005 . 1 . . . . . . . . 5345 1
501 . 1 1 45 45 LEU CB C 13 42.430 0.005 . 1 . . . . . . . . 5345 1
502 . 1 1 45 45 LEU HB3 H 1 1.400 0.005 . 2 . . . . . . . . 5345 1
503 . 1 1 45 45 LEU HB2 H 1 1.550 0.005 . 2 . . . . . . . . 5345 1
504 . 1 1 45 45 LEU CG C 13 26.700 0.005 . 1 . . . . . . . . 5345 1
505 . 1 1 45 45 LEU HG H 1 1.310 0.005 . 1 . . . . . . . . 5345 1
506 . 1 1 45 45 LEU CD1 C 13 21.900 0.005 . 1 . . . . . . . . 5345 1
507 . 1 1 45 45 LEU HD11 H 1 0.550 0.005 . 2 . . . . . . . . 5345 1
508 . 1 1 45 45 LEU HD12 H 1 0.550 0.005 . 2 . . . . . . . . 5345 1
509 . 1 1 45 45 LEU HD13 H 1 0.550 0.005 . 2 . . . . . . . . 5345 1
510 . 1 1 45 45 LEU CD2 C 13 25.700 0.005 . 1 . . . . . . . . 5345 1
511 . 1 1 45 45 LEU HD21 H 1 0.400 0.005 . 2 . . . . . . . . 5345 1
512 . 1 1 45 45 LEU HD22 H 1 0.400 0.005 . 2 . . . . . . . . 5345 1
513 . 1 1 45 45 LEU HD23 H 1 0.400 0.005 . 2 . . . . . . . . 5345 1
514 . 1 1 45 45 LEU C C 13 176.209 0.005 . 1 . . . . . . . . 5345 1
515 . 1 1 46 46 ASN N N 15 117.200 0.005 . 1 . . . . . . . . 5345 1
516 . 1 1 46 46 ASN H H 1 7.668 0.005 . 1 . . . . . . . . 5345 1
517 . 1 1 46 46 ASN CA C 13 53.996 0.005 . 1 . . . . . . . . 5345 1
518 . 1 1 46 46 ASN HA H 1 4.251 0.005 . 1 . . . . . . . . 5345 1
519 . 1 1 46 46 ASN CB C 13 37.210 0.005 . 1 . . . . . . . . 5345 1
520 . 1 1 46 46 ASN HB3 H 1 2.630 0.005 . 2 . . . . . . . . 5345 1
521 . 1 1 46 46 ASN HB2 H 1 3.127 0.005 . 2 . . . . . . . . 5345 1
522 . 1 1 46 46 ASN ND2 N 15 111.300 0.005 . 1 . . . . . . . . 5345 1
523 . 1 1 46 46 ASN HD21 H 1 7.302 0.005 . 2 . . . . . . . . 5345 1
524 . 1 1 46 46 ASN HD22 H 1 6.615 0.005 . 2 . . . . . . . . 5345 1
525 . 1 1 46 46 ASN C C 13 174.245 0.005 . 1 . . . . . . . . 5345 1
526 . 1 1 47 47 TYR N N 15 116.433 0.005 . 1 . . . . . . . . 5345 1
527 . 1 1 47 47 TYR H H 1 7.991 0.005 . 1 . . . . . . . . 5345 1
528 . 1 1 47 47 TYR CA C 13 58.507 0.005 . 1 . . . . . . . . 5345 1
529 . 1 1 47 47 TYR HA H 1 4.180 0.005 . 1 . . . . . . . . 5345 1
530 . 1 1 47 47 TYR CB C 13 39.650 0.005 . 1 . . . . . . . . 5345 1
531 . 1 1 47 47 TYR HB3 H 1 2.420 0.005 . 2 . . . . . . . . 5345 1
532 . 1 1 47 47 TYR HB2 H 1 2.595 0.005 . 2 . . . . . . . . 5345 1
533 . 1 1 47 47 TYR HD1 H 1 6.720 0.005 . 1 . . . . . . . . 5345 1
534 . 1 1 47 47 TYR HE1 H 1 6.720 0.005 . 3 . . . . . . . . 5345 1
535 . 1 1 47 47 TYR HH H 1 9.525 0.005 . 1 . . . . . . . . 5345 1
536 . 1 1 47 47 TYR HD2 H 1 6.720 0.005 . 1 . . . . . . . . 5345 1
537 . 1 1 47 47 TYR C C 13 174.526 0.005 . 1 . . . . . . . . 5345 1
538 . 1 1 48 48 ILE N N 15 130.420 0.005 . 1 . . . . . . . . 5345 1
539 . 1 1 48 48 ILE H H 1 7.493 0.005 . 1 . . . . . . . . 5345 1
540 . 1 1 48 48 ILE CA C 13 57.956 0.005 . 1 . . . . . . . . 5345 1
541 . 1 1 48 48 ILE HA H 1 3.950 0.005 . 1 . . . . . . . . 5345 1
542 . 1 1 48 48 ILE CB C 13 41.100 0.005 . 1 . . . . . . . . 5345 1
543 . 1 1 48 48 ILE HB H 1 1.510 0.005 . 1 . . . . . . . . 5345 1
544 . 1 1 48 48 ILE CG1 C 13 26.800 0.005 . 2 . . . . . . . . 5345 1
545 . 1 1 48 48 ILE HG13 H 1 0.923 0.005 . 1 . . . . . . . . 5345 1
546 . 1 1 48 48 ILE HG12 H 1 1.350 0.005 . 1 . . . . . . . . 5345 1
547 . 1 1 48 48 ILE CD1 C 13 12.700 0.005 . 1 . . . . . . . . 5345 1
548 . 1 1 48 48 ILE HD11 H 1 0.750 0.005 . 1 . . . . . . . . 5345 1
549 . 1 1 48 48 ILE HD12 H 1 0.750 0.005 . 1 . . . . . . . . 5345 1
550 . 1 1 48 48 ILE HD13 H 1 0.750 0.005 . 1 . . . . . . . . 5345 1
551 . 1 1 48 48 ILE CG2 C 13 16.600 0.005 . 1 . . . . . . . . 5345 1
552 . 1 1 48 48 ILE HG21 H 1 0.743 0.005 . 1 . . . . . . . . 5345 1
553 . 1 1 48 48 ILE HG22 H 1 0.743 0.005 . 1 . . . . . . . . 5345 1
554 . 1 1 48 48 ILE HG23 H 1 0.743 0.005 . 1 . . . . . . . . 5345 1
555 . 1 1 48 48 ILE C C 13 174.526 0.005 . 1 . . . . . . . . 5345 1
556 . 1 1 49 49 PRO CA C 13 62.850 0.005 . 1 . . . . . . . . 5345 1
557 . 1 1 49 49 PRO HA H 1 4.080 0.005 . 1 . . . . . . . . 5345 1
558 . 1 1 49 49 PRO HB3 H 1 1.447 0.005 . 2 . . . . . . . . 5345 1
559 . 1 1 49 49 PRO HB2 H 1 2.082 0.005 . 2 . . . . . . . . 5345 1
560 . 1 1 49 49 PRO HG3 H 1 1.758 0.005 . 2 . . . . . . . . 5345 1
561 . 1 1 49 49 PRO HG2 H 1 1.880 0.005 . 2 . . . . . . . . 5345 1
562 . 1 1 49 49 PRO HD3 H 1 3.010 0.005 . 2 . . . . . . . . 5345 1
563 . 1 1 49 49 PRO HD2 H 1 3.350 0.005 . 2 . . . . . . . . 5345 1
564 . 1 1 49 49 PRO C C 13 176.508 0.005 . 1 . . . . . . . . 5345 1
565 . 1 1 50 50 ASN N N 15 123.950 0.005 . 1 . . . . . . . . 5345 1
566 . 1 1 50 50 ASN H H 1 9.354 0.005 . 1 . . . . . . . . 5345 1
567 . 1 1 50 50 ASN CA C 13 53.972 0.005 . 1 . . . . . . . . 5345 1
568 . 1 1 50 50 ASN HA H 1 4.370 0.005 . 1 . . . . . . . . 5345 1
569 . 1 1 50 50 ASN CB C 13 38.941 0.005 . 1 . . . . . . . . 5345 1
570 . 1 1 50 50 ASN HB3 H 1 2.700 0.005 . 2 . . . . . . . . 5345 1
571 . 1 1 50 50 ASN HB2 H 1 2.990 0.005 . 2 . . . . . . . . 5345 1
572 . 1 1 50 50 ASN ND2 N 15 113.506 0.005 . 1 . . . . . . . . 5345 1
573 . 1 1 50 50 ASN HD21 H 1 6.768 0.005 . 2 . . . . . . . . 5345 1
574 . 1 1 50 50 ASN HD22 H 1 7.934 0.005 . 2 . . . . . . . . 5345 1
575 . 1 1 50 50 ASN C C 13 175.987 0.005 . 1 . . . . . . . . 5345 1
576 . 1 1 51 51 ARG N N 15 128.586 0.005 . 1 . . . . . . . . 5345 1
577 . 1 1 51 51 ARG H H 1 8.395 0.005 . 1 . . . . . . . . 5345 1
578 . 1 1 51 51 ARG CA C 13 58.639 0.005 . 1 . . . . . . . . 5345 1
579 . 1 1 51 51 ARG HA H 1 4.385 0.005 . 1 . . . . . . . . 5345 1
580 . 1 1 51 51 ARG CB C 13 29.570 0.005 . 1 . . . . . . . . 5345 1
581 . 1 1 51 51 ARG HB3 H 1 1.850 0.005 . 1 . . . . . . . . 5345 1
582 . 1 1 51 51 ARG HB2 H 1 1.850 0.005 . 1 . . . . . . . . 5345 1
583 . 1 1 51 51 ARG CG C 13 27.000 0.005 . 1 . . . . . . . . 5345 1
584 . 1 1 51 51 ARG HG3 H 1 1.711 0.005 . 1 . . . . . . . . 5345 1
585 . 1 1 51 51 ARG HG2 H 1 1.711 0.005 . 1 . . . . . . . . 5345 1
586 . 1 1 51 51 ARG CD C 13 43.100 0.005 . 1 . . . . . . . . 5345 1
587 . 1 1 51 51 ARG HD3 H 1 3.174 0.005 . 1 . . . . . . . . 5345 1
588 . 1 1 51 51 ARG HD2 H 1 3.174 0.005 . 1 . . . . . . . . 5345 1
589 . 1 1 51 51 ARG NE N 15 88.200 0.005 . 1 . . . . . . . . 5345 1
590 . 1 1 51 51 ARG HE H 1 7.050 0.005 . 1 . . . . . . . . 5345 1
591 . 1 1 51 51 ARG C C 13 179.707 0.005 . 1 . . . . . . . . 5345 1
592 . 1 1 52 52 CYS N N 15 117.554 0.005 . 1 . . . . . . . . 5345 1
593 . 1 1 52 52 CYS H H 1 8.253 0.005 . 1 . . . . . . . . 5345 1
594 . 1 1 52 52 CYS CA C 13 55.190 0.005 . 1 . . . . . . . . 5345 1
595 . 1 1 52 52 CYS HA H 1 4.732 0.005 . 1 . . . . . . . . 5345 1
596 . 1 1 52 52 CYS CB C 13 31.654 0.005 . 1 . . . . . . . . 5345 1
597 . 1 1 52 52 CYS HB3 H 1 2.670 0.005 . 2 . . . . . . . . 5345 1
598 . 1 1 52 52 CYS HB2 H 1 3.020 0.005 . 2 . . . . . . . . 5345 1
599 . 1 1 52 52 CYS C C 13 176.760 0.005 . 1 . . . . . . . . 5345 1
600 . 1 1 53 53 ALA N N 15 124.942 0.005 . 1 . . . . . . . . 5345 1
601 . 1 1 53 53 ALA H H 1 7.935 0.005 . 1 . . . . . . . . 5345 1
602 . 1 1 53 53 ALA CA C 13 55.584 0.005 . 1 . . . . . . . . 5345 1
603 . 1 1 53 53 ALA HA H 1 3.925 0.005 . 1 . . . . . . . . 5345 1
604 . 1 1 53 53 ALA CB C 13 18.660 0.005 . 1 . . . . . . . . 5345 1
605 . 1 1 53 53 ALA HB1 H 1 1.767 0.005 . 1 . . . . . . . . 5345 1
606 . 1 1 53 53 ALA HB2 H 1 1.767 0.005 . 1 . . . . . . . . 5345 1
607 . 1 1 53 53 ALA HB3 H 1 1.767 0.005 . 1 . . . . . . . . 5345 1
608 . 1 1 53 53 ALA C C 13 180.337 0.005 . 1 . . . . . . . . 5345 1
609 . 1 1 54 54 GLN N N 15 113.506 0.005 . 1 . . . . . . . . 5345 1
610 . 1 1 54 54 GLN H H 1 7.623 0.005 . 1 . . . . . . . . 5345 1
611 . 1 1 54 54 GLN CA C 13 59.681 0.005 . 1 . . . . . . . . 5345 1
612 . 1 1 54 54 GLN HA H 1 3.960 0.005 . 1 . . . . . . . . 5345 1
613 . 1 1 54 54 GLN CB C 13 29.870 0.005 . 1 . . . . . . . . 5345 1
614 . 1 1 54 54 GLN HB3 H 1 2.052 0.005 . 2 . . . . . . . . 5345 1
615 . 1 1 54 54 GLN HB2 H 1 1.803 0.005 . 2 . . . . . . . . 5345 1
616 . 1 1 54 54 GLN CG C 13 34.000 0.005 . 1 . . . . . . . . 5345 1
617 . 1 1 54 54 GLN HG3 H 1 2.390 0.005 . 2 . . . . . . . . 5345 1
618 . 1 1 54 54 GLN HG2 H 1 2.630 0.005 . 2 . . . . . . . . 5345 1
619 . 1 1 54 54 GLN NE2 N 15 113.884 0.005 . 1 . . . . . . . . 5345 1
620 . 1 1 54 54 GLN HE21 H 1 6.548 0.005 . 2 . . . . . . . . 5345 1
621 . 1 1 54 54 GLN HE22 H 1 8.253 0.005 . 2 . . . . . . . . 5345 1
622 . 1 1 54 54 GLN C C 13 178.361 0.005 . 1 . . . . . . . . 5345 1
623 . 1 1 55 55 GLN N N 15 118.103 0.005 . 1 . . . . . . . . 5345 1
624 . 1 1 55 55 GLN H H 1 8.180 0.005 . 1 . . . . . . . . 5345 1
625 . 1 1 55 55 GLN CA C 13 58.799 0.005 . 1 . . . . . . . . 5345 1
626 . 1 1 55 55 GLN HA H 1 3.955 0.005 . 1 . . . . . . . . 5345 1
627 . 1 1 55 55 GLN CB C 13 29.740 0.005 . 1 . . . . . . . . 5345 1
628 . 1 1 55 55 GLN HB3 H 1 1.917 0.005 . 2 . . . . . . . . 5345 1
629 . 1 1 55 55 GLN HB2 H 1 2.190 0.005 . 2 . . . . . . . . 5345 1
630 . 1 1 55 55 GLN CG C 13 34.600 0.005 . 1 . . . . . . . . 5345 1
631 . 1 1 55 55 GLN HG3 H 1 2.246 0.005 . 2 . . . . . . . . 5345 1
632 . 1 1 55 55 GLN HG2 H 1 2.450 0.005 . 2 . . . . . . . . 5345 1
633 . 1 1 55 55 GLN NE2 N 15 112.300 0.005 . 1 . . . . . . . . 5345 1
634 . 1 1 55 55 GLN HE21 H 1 6.668 0.005 . 2 . . . . . . . . 5345 1
635 . 1 1 55 55 GLN HE22 H 1 7.304 0.005 . 2 . . . . . . . . 5345 1
636 . 1 1 55 55 GLN C C 13 179.408 0.005 . 1 . . . . . . . . 5345 1
637 . 1 1 56 56 LEU N N 15 120.731 0.005 . 1 . . . . . . . . 5345 1
638 . 1 1 56 56 LEU H H 1 8.162 0.005 . 1 . . . . . . . . 5345 1
639 . 1 1 56 56 LEU CA C 13 57.686 0.005 . 1 . . . . . . . . 5345 1
640 . 1 1 56 56 LEU HA H 1 3.900 0.005 . 1 . . . . . . . . 5345 1
641 . 1 1 56 56 LEU CB C 13 42.666 0.005 . 1 . . . . . . . . 5345 1
642 . 1 1 56 56 LEU HB3 H 1 1.090 0.005 . 2 . . . . . . . . 5345 1
643 . 1 1 56 56 LEU HB2 H 1 1.380 0.005 . 2 . . . . . . . . 5345 1
644 . 1 1 56 56 LEU CG C 13 26.300 0.005 . 1 . . . . . . . . 5345 1
645 . 1 1 56 56 LEU HG H 1 1.190 0.005 . 1 . . . . . . . . 5345 1
646 . 1 1 56 56 LEU CD1 C 13 23.900 0.005 . 1 . . . . . . . . 5345 1
647 . 1 1 56 56 LEU HD11 H 1 0.590 0.005 . 2 . . . . . . . . 5345 1
648 . 1 1 56 56 LEU HD12 H 1 0.590 0.005 . 2 . . . . . . . . 5345 1
649 . 1 1 56 56 LEU HD13 H 1 0.590 0.005 . 2 . . . . . . . . 5345 1
650 . 1 1 56 56 LEU CD2 C 13 24.160 0.005 . 1 . . . . . . . . 5345 1
651 . 1 1 56 56 LEU HD21 H 1 0.050 0.005 . 2 . . . . . . . . 5345 1
652 . 1 1 56 56 LEU HD22 H 1 0.050 0.005 . 2 . . . . . . . . 5345 1
653 . 1 1 56 56 LEU HD23 H 1 0.050 0.005 . 2 . . . . . . . . 5345 1
654 . 1 1 56 56 LEU C C 13 177.776 0.005 . 1 . . . . . . . . 5345 1
655 . 1 1 57 57 ALA N N 15 116.746 0.005 . 1 . . . . . . . . 5345 1
656 . 1 1 57 57 ALA H H 1 6.583 0.005 . 1 . . . . . . . . 5345 1
657 . 1 1 57 57 ALA CA C 13 53.214 0.005 . 1 . . . . . . . . 5345 1
658 . 1 1 57 57 ALA HA H 1 4.178 0.005 . 1 . . . . . . . . 5345 1
659 . 1 1 57 57 ALA CB C 13 21.450 0.005 . 1 . . . . . . . . 5345 1
660 . 1 1 57 57 ALA HB1 H 1 1.387 0.005 . 1 . . . . . . . . 5345 1
661 . 1 1 57 57 ALA HB2 H 1 1.387 0.005 . 1 . . . . . . . . 5345 1
662 . 1 1 57 57 ALA HB3 H 1 1.387 0.005 . 1 . . . . . . . . 5345 1
663 . 1 1 57 57 ALA C C 13 178.383 0.005 . 1 . . . . . . . . 5345 1
664 . 1 1 58 58 GLY N N 15 102.875 0.005 . 1 . . . . . . . . 5345 1
665 . 1 1 58 58 GLY H H 1 7.270 0.005 . 1 . . . . . . . . 5345 1
666 . 1 1 58 58 GLY CA C 13 45.389 0.005 . 1 . . . . . . . . 5345 1
667 . 1 1 58 58 GLY HA3 H 1 3.840 0.005 . 2 . . . . . . . . 5345 1
668 . 1 1 58 58 GLY HA2 H 1 4.100 0.005 . 2 . . . . . . . . 5345 1
669 . 1 1 58 58 GLY C C 13 174.579 0.005 . 1 . . . . . . . . 5345 1
670 . 1 1 59 59 LYS N N 15 120.906 0.005 . 1 . . . . . . . . 5345 1
671 . 1 1 59 59 LYS H H 1 8.225 0.005 . 1 . . . . . . . . 5345 1
672 . 1 1 59 59 LYS CA C 13 56.507 0.005 . 1 . . . . . . . . 5345 1
673 . 1 1 59 59 LYS HA H 1 4.290 0.005 . 1 . . . . . . . . 5345 1
674 . 1 1 59 59 LYS CB C 13 33.000 0.005 . 1 . . . . . . . . 5345 1
675 . 1 1 59 59 LYS HB3 H 1 1.647 0.005 . 2 . . . . . . . . 5345 1
676 . 1 1 59 59 LYS HB2 H 1 1.768 0.005 . 2 . . . . . . . . 5345 1
677 . 1 1 59 59 LYS CG C 13 24.500 0.005 . 1 . . . . . . . . 5345 1
678 . 1 1 59 59 LYS HG3 H 1 1.360 0.005 . 1 . . . . . . . . 5345 1
679 . 1 1 59 59 LYS HG2 H 1 1.360 0.005 . 1 . . . . . . . . 5345 1
680 . 1 1 59 59 LYS CD C 13 29.100 0.005 . 1 . . . . . . . . 5345 1
681 . 1 1 59 59 LYS HD3 H 1 1.630 0.005 . 1 . . . . . . . . 5345 1
682 . 1 1 59 59 LYS HD2 H 1 1.630 0.005 . 1 . . . . . . . . 5345 1
683 . 1 1 59 59 LYS CE C 13 42.100 0.005 . 1 . . . . . . . . 5345 1
684 . 1 1 59 59 LYS HE3 H 1 2.910 0.005 . 2 . . . . . . . . 5345 1
685 . 1 1 59 59 LYS HE2 H 1 2.990 0.005 . 2 . . . . . . . . 5345 1
686 . 1 1 59 59 LYS C C 13 176.798 0.005 . 1 . . . . . . . . 5345 1
687 . 1 1 60 60 GLN N N 15 122.497 0.005 . 1 . . . . . . . . 5345 1
688 . 1 1 60 60 GLN H H 1 8.393 0.005 . 1 . . . . . . . . 5345 1
689 . 1 1 60 60 GLN CA C 13 55.934 0.005 . 1 . . . . . . . . 5345 1
690 . 1 1 60 60 GLN HA H 1 4.330 0.005 . 1 . . . . . . . . 5345 1
691 . 1 1 60 60 GLN CB C 13 29.500 0.005 . 1 . . . . . . . . 5345 1
692 . 1 1 60 60 GLN HB3 H 1 1.910 0.005 . 2 . . . . . . . . 5345 1
693 . 1 1 60 60 GLN HB2 H 1 2.100 0.005 . 2 . . . . . . . . 5345 1
694 . 1 1 60 60 GLN CG C 13 33.700 0.005 . 1 . . . . . . . . 5345 1
695 . 1 1 60 60 GLN HG3 H 1 2.340 0.005 . 1 . . . . . . . . 5345 1
696 . 1 1 60 60 GLN HG2 H 1 2.340 0.005 . 1 . . . . . . . . 5345 1
697 . 1 1 60 60 GLN NE2 N 15 112.400 0.005 . 1 . . . . . . . . 5345 1
698 . 1 1 60 60 GLN HE21 H 1 6.730 0.005 . 2 . . . . . . . . 5345 1
699 . 1 1 60 60 GLN HE22 H 1 7.450 0.005 . 2 . . . . . . . . 5345 1
700 . 1 1 61 61 SER N N 15 117.756 0.005 . 1 . . . . . . . . 5345 1
701 . 1 1 61 61 SER H H 1 8.237 0.005 . 1 . . . . . . . . 5345 1
702 . 1 1 61 61 SER CA C 13 55.920 0.005 . 1 . . . . . . . . 5345 1
703 . 1 1 61 61 SER HA H 1 4.430 0.005 . 1 . . . . . . . . 5345 1
704 . 1 1 61 61 SER CB C 13 63.800 0.005 . 1 . . . . . . . . 5345 1
705 . 1 1 61 61 SER HB3 H 1 3.760 0.005 . 1 . . . . . . . . 5345 1
706 . 1 1 61 61 SER HB2 H 1 3.760 0.005 . 1 . . . . . . . . 5345 1
707 . 1 1 62 62 LEU N N 15 130.236 0.005 . 1 . . . . . . . . 5345 1
708 . 1 1 62 62 LEU H H 1 7.783 0.005 . 1 . . . . . . . . 5345 1
709 . 1 1 62 62 LEU CA C 13 56.700 0.005 . 1 . . . . . . . . 5345 1
710 . 1 1 62 62 LEU HA H 1 4.160 0.005 . 1 . . . . . . . . 5345 1
711 . 1 1 62 62 LEU CB C 13 43.100 0.005 . 1 . . . . . . . . 5345 1
712 . 1 1 62 62 LEU HB3 H 1 1.540 0.005 . 1 . . . . . . . . 5345 1
713 . 1 1 62 62 LEU HB2 H 1 1.540 0.005 . 1 . . . . . . . . 5345 1
714 . 1 1 62 62 LEU CG C 13 27.300 0.005 . 1 . . . . . . . . 5345 1
715 . 1 1 62 62 LEU HG H 1 1.490 0.005 . 1 . . . . . . . . 5345 1
716 . 1 1 62 62 LEU CD1 C 13 25.100 0.005 . 1 . . . . . . . . 5345 1
717 . 1 1 62 62 LEU HD11 H 1 0.860 0.005 . 2 . . . . . . . . 5345 1
718 . 1 1 62 62 LEU HD12 H 1 0.860 0.005 . 2 . . . . . . . . 5345 1
719 . 1 1 62 62 LEU HD13 H 1 0.860 0.005 . 2 . . . . . . . . 5345 1
720 . 1 1 62 62 LEU CD2 C 13 23.700 0.005 . 1 . . . . . . . . 5345 1
721 . 1 1 62 62 LEU HD21 H 1 0.810 0.005 . 2 . . . . . . . . 5345 1
722 . 1 1 62 62 LEU HD22 H 1 0.810 0.005 . 2 . . . . . . . . 5345 1
723 . 1 1 62 62 LEU HD23 H 1 0.810 0.005 . 2 . . . . . . . . 5345 1
stop_
save_
save_chemical_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2
_Assigned_chem_shift_list.Entry_ID 5345
_Assigned_chem_shift_list.ID 2
_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 . 5345 2
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 . 2 1 3 3 PRO CA C 13 63.400 0.005 . 1 . . . . . . . . 5345 2
2 . 2 1 3 3 PRO HA H 1 4.500 0.005 . 1 . . . . . . . . 5345 2
3 . 2 1 3 3 PRO CB C 13 32.300 0.005 . 1 . . . . . . . . 5345 2
4 . 2 1 3 3 PRO HB3 H 1 1.904 0.005 . 2 . . . . . . . . 5345 2
5 . 2 1 3 3 PRO HB2 H 1 2.378 0.005 . 2 . . . . . . . . 5345 2
6 . 2 1 3 3 PRO CG C 13 27.600 0.005 . 1 . . . . . . . . 5345 2
7 . 2 1 3 3 PRO HG3 H 1 2.008 0.005 . 2 . . . . . . . . 5345 2
8 . 2 1 3 3 PRO HG2 H 1 2.121 0.005 . 2 . . . . . . . . 5345 2
9 . 2 1 3 3 PRO HD3 H 1 3.730 0.005 . 2 . . . . . . . . 5345 2
10 . 2 1 3 3 PRO HD2 H 1 3.885 0.005 . 2 . . . . . . . . 5345 2
11 . 2 1 4 4 VAL N N 15 120.700 0.005 . 1 . . . . . . . . 5345 2
12 . 2 1 4 4 VAL H H 1 8.010 0.005 . 1 . . . . . . . . 5345 2
13 . 2 1 4 4 VAL CA C 13 62.800 0.005 . 1 . . . . . . . . 5345 2
14 . 2 1 4 4 VAL HA H 1 4.390 0.005 . 1 . . . . . . . . 5345 2
15 . 2 1 4 4 VAL CB C 13 33.350 0.005 . 1 . . . . . . . . 5345 2
16 . 2 1 4 4 VAL HB H 1 2.220 0.005 . 1 . . . . . . . . 5345 2
17 . 2 1 4 4 VAL CG2 C 13 21.100 0.005 . 1 . . . . . . . . 5345 2
18 . 2 1 4 4 VAL HG21 H 1 1.190 0.005 . 2 . . . . . . . . 5345 2
19 . 2 1 4 4 VAL HG22 H 1 1.190 0.005 . 2 . . . . . . . . 5345 2
20 . 2 1 4 4 VAL HG23 H 1 1.190 0.005 . 2 . . . . . . . . 5345 2
21 . 2 1 4 4 VAL CG1 C 13 22.400 0.005 . 1 . . . . . . . . 5345 2
22 . 2 1 4 4 VAL HG11 H 1 1.163 0.005 . 2 . . . . . . . . 5345 2
23 . 2 1 4 4 VAL HG12 H 1 1.163 0.005 . 2 . . . . . . . . 5345 2
24 . 2 1 4 4 VAL HG13 H 1 1.163 0.005 . 2 . . . . . . . . 5345 2
25 . 2 1 4 4 VAL C C 13 176.200 0.005 . 1 . . . . . . . . 5345 2
26 . 2 1 5 5 THR N N 15 118.200 0.005 . 1 . . . . . . . . 5345 2
27 . 2 1 5 5 THR H H 1 9.685 0.005 . 1 . . . . . . . . 5345 2
28 . 2 1 5 5 THR CA C 13 60.368 0.005 . 1 . . . . . . . . 5345 2
29 . 2 1 5 5 THR HA H 1 5.342 0.005 . 1 . . . . . . . . 5345 2
30 . 2 1 5 5 THR CB C 13 73.830 0.005 . 1 . . . . . . . . 5345 2
31 . 2 1 5 5 THR HB H 1 5.080 0.005 . 1 . . . . . . . . 5345 2
32 . 2 1 5 5 THR CG2 C 13 21.900 0.005 . 1 . . . . . . . . 5345 2
33 . 2 1 5 5 THR HG21 H 1 1.610 0.005 . 1 . . . . . . . . 5345 2
34 . 2 1 5 5 THR HG22 H 1 1.610 0.005 . 1 . . . . . . . . 5345 2
35 . 2 1 5 5 THR HG23 H 1 1.610 0.005 . 1 . . . . . . . . 5345 2
36 . 2 1 5 5 THR C C 13 176.962 0.005 . 1 . . . . . . . . 5345 2
37 . 2 1 6 6 LEU N N 15 121.950 0.005 . 1 . . . . . . . . 5345 2
38 . 2 1 6 6 LEU H H 1 10.716 0.005 . 1 . . . . . . . . 5345 2
39 . 2 1 6 6 LEU CA C 13 58.100 0.005 . 1 . . . . . . . . 5345 2
40 . 2 1 6 6 LEU HA H 1 3.580 0.005 . 1 . . . . . . . . 5345 2
41 . 2 1 6 6 LEU CB C 13 42.470 0.005 . 1 . . . . . . . . 5345 2
42 . 2 1 6 6 LEU HB3 H 1 1.829 0.005 . 1 . . . . . . . . 5345 2
43 . 2 1 6 6 LEU HB2 H 1 1.829 0.005 . 1 . . . . . . . . 5345 2
44 . 2 1 6 6 LEU CG C 13 26.800 0.005 . 1 . . . . . . . . 5345 2
45 . 2 1 6 6 LEU HG H 1 2.073 0.005 . 1 . . . . . . . . 5345 2
46 . 2 1 6 6 LEU CD1 C 13 21.900 0.005 . 1 . . . . . . . . 5345 2
47 . 2 1 6 6 LEU HD11 H 1 0.161 0.005 . 2 . . . . . . . . 5345 2
48 . 2 1 6 6 LEU HD12 H 1 0.161 0.005 . 2 . . . . . . . . 5345 2
49 . 2 1 6 6 LEU HD13 H 1 0.161 0.005 . 2 . . . . . . . . 5345 2
50 . 2 1 6 6 LEU CD2 C 13 26.800 0.005 . 1 . . . . . . . . 5345 2
51 . 2 1 6 6 LEU HD21 H 1 0.870 0.005 . 2 . . . . . . . . 5345 2
52 . 2 1 6 6 LEU HD22 H 1 0.870 0.005 . 2 . . . . . . . . 5345 2
53 . 2 1 6 6 LEU HD23 H 1 0.870 0.005 . 2 . . . . . . . . 5345 2
54 . 2 1 6 6 LEU C C 13 179.793 0.005 . 1 . . . . . . . . 5345 2
55 . 2 1 7 7 TYR N N 15 115.950 0.005 . 1 . . . . . . . . 5345 2
56 . 2 1 7 7 TYR H H 1 7.674 0.005 . 1 . . . . . . . . 5345 2
57 . 2 1 7 7 TYR CA C 13 62.228 0.005 . 1 . . . . . . . . 5345 2
58 . 2 1 7 7 TYR HA H 1 4.220 0.005 . 1 . . . . . . . . 5345 2
59 . 2 1 7 7 TYR CB C 13 37.640 0.005 . 1 . . . . . . . . 5345 2
60 . 2 1 7 7 TYR HB3 H 1 2.860 0.005 . 2 . . . . . . . . 5345 2
61 . 2 1 7 7 TYR HB2 H 1 3.160 0.005 . 2 . . . . . . . . 5345 2
62 . 2 1 7 7 TYR HD1 H 1 7.134 0.005 . 1 . . . . . . . . 5345 2
63 . 2 1 7 7 TYR HE1 H 1 6.310 0.005 . 1 . . . . . . . . 5345 2
64 . 2 1 7 7 TYR HE2 H 1 6.310 0.005 . 1 . . . . . . . . 5345 2
65 . 2 1 7 7 TYR HD2 H 1 7.134 0.005 . 1 . . . . . . . . 5345 2
66 . 2 1 7 7 TYR C C 13 179.069 0.005 . 1 . . . . . . . . 5345 2
67 . 2 1 8 8 ASP N N 15 121.391 0.005 . 1 . . . . . . . . 5345 2
68 . 2 1 8 8 ASP H H 1 7.572 0.005 . 1 . . . . . . . . 5345 2
69 . 2 1 8 8 ASP CA C 13 57.790 0.005 . 1 . . . . . . . . 5345 2
70 . 2 1 8 8 ASP HA H 1 4.527 0.005 . 1 . . . . . . . . 5345 2
71 . 2 1 8 8 ASP CB C 13 38.900 0.005 . 1 . . . . . . . . 5345 2
72 . 2 1 8 8 ASP HB3 H 1 2.810 0.005 . 2 . . . . . . . . 5345 2
73 . 2 1 8 8 ASP HB2 H 1 3.263 0.005 . 2 . . . . . . . . 5345 2
74 . 2 1 8 8 ASP C C 13 179.614 0.005 . 1 . . . . . . . . 5345 2
75 . 2 1 9 9 VAL N N 15 121.120 0.005 . 1 . . . . . . . . 5345 2
76 . 2 1 9 9 VAL H H 1 8.004 0.005 . 1 . . . . . . . . 5345 2
77 . 2 1 9 9 VAL CA C 13 66.746 0.005 . 1 . . . . . . . . 5345 2
78 . 2 1 9 9 VAL HA H 1 3.285 0.005 . 1 . . . . . . . . 5345 2
79 . 2 1 9 9 VAL CB C 13 31.300 0.005 . 1 . . . . . . . . 5345 2
80 . 2 1 9 9 VAL HB H 1 1.710 0.005 . 1 . . . . . . . . 5345 2
81 . 2 1 9 9 VAL CG2 C 13 22.600 0.005 . 1 . . . . . . . . 5345 2
82 . 2 1 9 9 VAL HG21 H 1 0.640 0.005 . 2 . . . . . . . . 5345 2
83 . 2 1 9 9 VAL HG22 H 1 0.640 0.005 . 2 . . . . . . . . 5345 2
84 . 2 1 9 9 VAL HG23 H 1 0.640 0.005 . 2 . . . . . . . . 5345 2
85 . 2 1 9 9 VAL CG1 C 13 22.400 0.005 . 1 . . . . . . . . 5345 2
86 . 2 1 9 9 VAL HG11 H 1 0.725 0.005 . 2 . . . . . . . . 5345 2
87 . 2 1 9 9 VAL HG12 H 1 0.725 0.005 . 2 . . . . . . . . 5345 2
88 . 2 1 9 9 VAL HG13 H 1 0.725 0.005 . 2 . . . . . . . . 5345 2
89 . 2 1 9 9 VAL C C 13 176.821 0.005 . 1 . . . . . . . . 5345 2
90 . 2 1 10 10 ALA N N 15 121.620 0.005 . 1 . . . . . . . . 5345 2
91 . 2 1 10 10 ALA H H 1 7.967 0.005 . 1 . . . . . . . . 5345 2
92 . 2 1 10 10 ALA CA C 13 56.196 0.005 . 1 . . . . . . . . 5345 2
93 . 2 1 10 10 ALA HA H 1 3.593 0.005 . 1 . . . . . . . . 5345 2
94 . 2 1 10 10 ALA CB C 13 17.040 0.005 . 1 . . . . . . . . 5345 2
95 . 2 1 10 10 ALA HB1 H 1 1.540 0.005 . 1 . . . . . . . . 5345 2
96 . 2 1 10 10 ALA HB2 H 1 1.540 0.005 . 1 . . . . . . . . 5345 2
97 . 2 1 10 10 ALA HB3 H 1 1.540 0.005 . 1 . . . . . . . . 5345 2
98 . 2 1 10 10 ALA C C 13 178.802 0.005 . 1 . . . . . . . . 5345 2
99 . 2 1 11 11 GLU N N 15 116.750 0.005 . 1 . . . . . . . . 5345 2
100 . 2 1 11 11 GLU H H 1 7.605 0.005 . 1 . . . . . . . . 5345 2
101 . 2 1 11 11 GLU CA C 13 59.481 0.005 . 1 . . . . . . . . 5345 2
102 . 2 1 11 11 GLU HA H 1 4.127 0.005 . 1 . . . . . . . . 5345 2
103 . 2 1 11 11 GLU CB C 13 29.700 0.005 . 1 . . . . . . . . 5345 2
104 . 2 1 11 11 GLU HB3 H 1 2.210 0.005 . 2 . . . . . . . . 5345 2
105 . 2 1 11 11 GLU HB2 H 1 2.256 0.005 . 2 . . . . . . . . 5345 2
106 . 2 1 11 11 GLU CG C 13 36.400 0.005 . 1 . . . . . . . . 5345 2
107 . 2 1 11 11 GLU HG3 H 1 2.330 0.005 . 2 . . . . . . . . 5345 2
108 . 2 1 11 11 GLU HG2 H 1 2.440 0.005 . 2 . . . . . . . . 5345 2
109 . 2 1 11 11 GLU C C 13 179.408 0.005 . 1 . . . . . . . . 5345 2
110 . 2 1 12 12 TYR N N 15 120.600 0.005 . 1 . . . . . . . . 5345 2
111 . 2 1 12 12 TYR H H 1 8.162 0.005 . 1 . . . . . . . . 5345 2
112 . 2 1 12 12 TYR CA C 13 61.376 0.005 . 1 . . . . . . . . 5345 2
113 . 2 1 12 12 TYR HA H 1 4.160 0.005 . 1 . . . . . . . . 5345 2
114 . 2 1 12 12 TYR CB C 13 40.000 0.005 . 1 . . . . . . . . 5345 2
115 . 2 1 12 12 TYR HB3 H 1 2.985 0.005 . 2 . . . . . . . . 5345 2
116 . 2 1 12 12 TYR HB2 H 1 3.240 0.005 . 2 . . . . . . . . 5345 2
117 . 2 1 12 12 TYR HD1 H 1 7.058 0.005 . 1 . . . . . . . . 5345 2
118 . 2 1 12 12 TYR HE1 H 1 6.830 0.005 . 1 . . . . . . . . 5345 2
119 . 2 1 12 12 TYR HE2 H 1 6.830 0.005 . 1 . . . . . . . . 5345 2
120 . 2 1 12 12 TYR HD2 H 1 7.058 0.005 . 1 . . . . . . . . 5345 2
121 . 2 1 12 12 TYR C C 13 177.768 0.005 . 1 . . . . . . . . 5345 2
122 . 2 1 13 13 ALA N N 15 118.080 0.005 . 1 . . . . . . . . 5345 2
123 . 2 1 13 13 ALA H H 1 8.564 0.005 . 1 . . . . . . . . 5345 2
124 . 2 1 13 13 ALA CA C 13 52.523 0.005 . 1 . . . . . . . . 5345 2
125 . 2 1 13 13 ALA HA H 1 4.240 0.005 . 1 . . . . . . . . 5345 2
126 . 2 1 13 13 ALA CB C 13 19.200 0.005 . 1 . . . . . . . . 5345 2
127 . 2 1 13 13 ALA HB1 H 1 1.335 0.005 . 1 . . . . . . . . 5345 2
128 . 2 1 13 13 ALA HB2 H 1 1.335 0.005 . 1 . . . . . . . . 5345 2
129 . 2 1 13 13 ALA HB3 H 1 1.335 0.005 . 1 . . . . . . . . 5345 2
130 . 2 1 13 13 ALA C C 13 177.109 0.005 . 1 . . . . . . . . 5345 2
131 . 2 1 14 14 GLY N N 15 107.700 0.005 . 1 . . . . . . . . 5345 2
132 . 2 1 14 14 GLY H H 1 7.998 0.005 . 1 . . . . . . . . 5345 2
133 . 2 1 14 14 GLY CA C 13 46.861 0.005 . 1 . . . . . . . . 5345 2
134 . 2 1 14 14 GLY HA3 H 1 3.970 0.005 . 1 . . . . . . . . 5345 2
135 . 2 1 14 14 GLY HA2 H 1 3.970 0.005 . 1 . . . . . . . . 5345 2
136 . 2 1 14 14 GLY C C 13 175.242 0.005 . 1 . . . . . . . . 5345 2
137 . 2 1 15 15 VAL N N 15 110.674 0.005 . 1 . . . . . . . . 5345 2
138 . 2 1 15 15 VAL H H 1 7.800 0.005 . 1 . . . . . . . . 5345 2
139 . 2 1 15 15 VAL CA C 13 58.270 0.005 . 1 . . . . . . . . 5345 2
140 . 2 1 15 15 VAL HA H 1 5.066 0.005 . 1 . . . . . . . . 5345 2
141 . 2 1 15 15 VAL CB C 13 34.850 0.005 . 1 . . . . . . . . 5345 2
142 . 2 1 15 15 VAL HB H 1 2.414 0.005 . 1 . . . . . . . . 5345 2
143 . 2 1 15 15 VAL CG2 C 13 19.000 0.005 . 1 . . . . . . . . 5345 2
144 . 2 1 15 15 VAL HG21 H 1 0.670 0.005 . 2 . . . . . . . . 5345 2
145 . 2 1 15 15 VAL HG22 H 1 0.670 0.005 . 2 . . . . . . . . 5345 2
146 . 2 1 15 15 VAL HG23 H 1 0.670 0.005 . 2 . . . . . . . . 5345 2
147 . 2 1 15 15 VAL CG1 C 13 21.240 0.005 . 1 . . . . . . . . 5345 2
148 . 2 1 15 15 VAL HG11 H 1 0.860 0.005 . 2 . . . . . . . . 5345 2
149 . 2 1 15 15 VAL HG12 H 1 0.860 0.005 . 2 . . . . . . . . 5345 2
150 . 2 1 15 15 VAL HG13 H 1 0.860 0.005 . 2 . . . . . . . . 5345 2
151 . 2 1 15 15 VAL C C 13 174.406 0.005 . 1 . . . . . . . . 5345 2
152 . 2 1 16 16 SER N N 15 114.500 0.005 . 1 . . . . . . . . 5345 2
153 . 2 1 16 16 SER H H 1 8.704 0.005 . 1 . . . . . . . . 5345 2
154 . 2 1 16 16 SER CA C 13 58.628 0.005 . 1 . . . . . . . . 5345 2
155 . 2 1 16 16 SER HA H 1 5.056 0.005 . 1 . . . . . . . . 5345 2
156 . 2 1 16 16 SER HB3 H 1 3.350 0.005 . 1 . . . . . . . . 5345 2
157 . 2 1 16 16 SER HB2 H 1 3.350 0.005 . 1 . . . . . . . . 5345 2
158 . 2 1 16 16 SER C C 13 176.088 0.005 . 1 . . . . . . . . 5345 2
159 . 2 1 17 17 TYR N N 15 123.200 0.005 . 1 . . . . . . . . 5345 2
160 . 2 1 17 17 TYR H H 1 9.034 0.005 . 1 . . . . . . . . 5345 2
161 . 2 1 17 17 TYR CA C 13 61.915 0.005 . 1 . . . . . . . . 5345 2
162 . 2 1 17 17 TYR HA H 1 3.750 0.005 . 1 . . . . . . . . 5345 2
163 . 2 1 17 17 TYR CB C 13 37.640 0.005 . 1 . . . . . . . . 5345 2
164 . 2 1 17 17 TYR HB3 H 1 2.990 0.005 . 1 . . . . . . . . 5345 2
165 . 2 1 17 17 TYR HB2 H 1 2.990 0.005 . 1 . . . . . . . . 5345 2
166 . 2 1 17 17 TYR HD1 H 1 7.160 0.005 . 1 . . . . . . . . 5345 2
167 . 2 1 17 17 TYR HE1 H 1 6.297 0.005 . 1 . . . . . . . . 5345 2
168 . 2 1 17 17 TYR HH H 1 9.100 0.005 . 1 . . . . . . . . 5345 2
169 . 2 1 17 17 TYR HE2 H 1 6.297 0.005 . 1 . . . . . . . . 5345 2
170 . 2 1 17 17 TYR HD2 H 1 7.160 0.005 . 1 . . . . . . . . 5345 2
171 . 2 1 17 17 TYR C C 13 176.633 0.005 . 1 . . . . . . . . 5345 2
172 . 2 1 18 18 GLN N N 15 118.790 0.005 . 1 . . . . . . . . 5345 2
173 . 2 1 18 18 GLN H H 1 8.107 0.005 . 1 . . . . . . . . 5345 2
174 . 2 1 18 18 GLN CA C 13 59.104 0.005 . 1 . . . . . . . . 5345 2
175 . 2 1 18 18 GLN HA H 1 4.265 0.005 . 1 . . . . . . . . 5345 2
176 . 2 1 18 18 GLN CB C 13 28.630 0.005 . 1 . . . . . . . . 5345 2
177 . 2 1 18 18 GLN HB3 H 1 2.340 0.005 . 2 . . . . . . . . 5345 2
178 . 2 1 18 18 GLN HB2 H 1 2.014 0.005 . 2 . . . . . . . . 5345 2
179 . 2 1 18 18 GLN HG3 H 1 2.464 0.005 . 2 . . . . . . . . 5345 2
180 . 2 1 18 18 GLN HG2 H 1 2.240 0.005 . 2 . . . . . . . . 5345 2
181 . 2 1 18 18 GLN NE2 N 15 109.600 0.005 . 1 . . . . . . . . 5345 2
182 . 2 1 18 18 GLN HE21 H 1 7.120 0.005 . 2 . . . . . . . . 5345 2
183 . 2 1 18 18 GLN HE22 H 1 7.310 0.005 . 2 . . . . . . . . 5345 2
184 . 2 1 18 18 GLN C C 13 177.675 0.005 . 1 . . . . . . . . 5345 2
185 . 2 1 19 19 THR N N 15 117.400 0.005 . 1 . . . . . . . . 5345 2
186 . 2 1 19 19 THR H H 1 7.626 0.005 . 1 . . . . . . . . 5345 2
187 . 2 1 19 19 THR CA C 13 66.167 0.005 . 1 . . . . . . . . 5345 2
188 . 2 1 19 19 THR HA H 1 3.970 0.005 . 1 . . . . . . . . 5345 2
189 . 2 1 19 19 THR CB C 13 67.040 0.005 . 1 . . . . . . . . 5345 2
190 . 2 1 19 19 THR HB H 1 4.330 0.005 . 1 . . . . . . . . 5345 2
191 . 2 1 19 19 THR CG2 C 13 23.900 0.005 . 1 . . . . . . . . 5345 2
192 . 2 1 19 19 THR HG21 H 1 1.018 0.005 . 1 . . . . . . . . 5345 2
193 . 2 1 19 19 THR HG22 H 1 1.018 0.005 . 1 . . . . . . . . 5345 2
194 . 2 1 19 19 THR HG23 H 1 1.018 0.005 . 1 . . . . . . . . 5345 2
195 . 2 1 19 19 THR C C 13 175.582 0.005 . 1 . . . . . . . . 5345 2
196 . 2 1 20 20 VAL N N 15 120.850 0.005 . 1 . . . . . . . . 5345 2
197 . 2 1 20 20 VAL H H 1 7.352 0.005 . 1 . . . . . . . . 5345 2
198 . 2 1 20 20 VAL CA C 13 67.821 0.005 . 1 . . . . . . . . 5345 2
199 . 2 1 20 20 VAL HA H 1 3.275 0.005 . 1 . . . . . . . . 5345 2
200 . 2 1 20 20 VAL CB C 13 30.000 0.005 . 1 . . . . . . . . 5345 2
201 . 2 1 20 20 VAL HB H 1 1.935 0.005 . 1 . . . . . . . . 5345 2
202 . 2 1 20 20 VAL CG2 C 13 21.000 0.005 . 1 . . . . . . . . 5345 2
203 . 2 1 20 20 VAL HG21 H 1 0.760 0.005 . 2 . . . . . . . . 5345 2
204 . 2 1 20 20 VAL HG22 H 1 0.760 0.005 . 2 . . . . . . . . 5345 2
205 . 2 1 20 20 VAL HG23 H 1 0.760 0.005 . 2 . . . . . . . . 5345 2
206 . 2 1 20 20 VAL CG1 C 13 21.000 0.005 . 1 . . . . . . . . 5345 2
207 . 2 1 20 20 VAL HG11 H 1 0.906 0.005 . 2 . . . . . . . . 5345 2
208 . 2 1 20 20 VAL HG12 H 1 0.906 0.005 . 2 . . . . . . . . 5345 2
209 . 2 1 20 20 VAL HG13 H 1 0.906 0.005 . 2 . . . . . . . . 5345 2
210 . 2 1 20 20 VAL C C 13 177.144 0.005 . 1 . . . . . . . . 5345 2
211 . 2 1 21 21 SER N N 15 113.000 0.005 . 1 . . . . . . . . 5345 2
212 . 2 1 21 21 SER H H 1 8.284 0.005 . 1 . . . . . . . . 5345 2
213 . 2 1 21 21 SER CA C 13 61.895 0.005 . 1 . . . . . . . . 5345 2
214 . 2 1 21 21 SER HA H 1 3.370 0.005 . 1 . . . . . . . . 5345 2
215 . 2 1 21 21 SER HB3 H 1 3.590 0.005 . 1 . . . . . . . . 5345 2
216 . 2 1 21 21 SER HB2 H 1 3.590 0.005 . 1 . . . . . . . . 5345 2
217 . 2 1 21 21 SER C C 13 178.490 0.005 . 1 . . . . . . . . 5345 2
218 . 2 1 22 22 ARG N N 15 119.700 0.005 . 1 . . . . . . . . 5345 2
219 . 2 1 22 22 ARG H H 1 8.373 0.005 . 1 . . . . . . . . 5345 2
220 . 2 1 22 22 ARG CA C 13 59.972 0.005 . 1 . . . . . . . . 5345 2
221 . 2 1 22 22 ARG HA H 1 3.890 0.005 . 1 . . . . . . . . 5345 2
222 . 2 1 22 22 ARG CB C 13 30.340 0.005 . 1 . . . . . . . . 5345 2
223 . 2 1 22 22 ARG HB3 H 1 1.843 0.005 . 1 . . . . . . . . 5345 2
224 . 2 1 22 22 ARG HB2 H 1 1.843 0.005 . 1 . . . . . . . . 5345 2
225 . 2 1 22 22 ARG HG3 H 1 1.473 0.005 . 1 . . . . . . . . 5345 2
226 . 2 1 22 22 ARG HG2 H 1 1.473 0.005 . 1 . . . . . . . . 5345 2
227 . 2 1 22 22 ARG HD3 H 1 3.240 0.005 . 1 . . . . . . . . 5345 2
228 . 2 1 22 22 ARG HD2 H 1 3.240 0.005 . 1 . . . . . . . . 5345 2
229 . 2 1 22 22 ARG NE N 15 88.900 0.005 . 1 . . . . . . . . 5345 2
230 . 2 1 22 22 ARG HE H 1 1.150 0.005 . 1 . . . . . . . . 5345 2
231 . 2 1 22 22 ARG C C 13 178.898 0.005 . 1 . . . . . . . . 5345 2
232 . 2 1 23 23 VAL N N 15 119.530 0.005 . 1 . . . . . . . . 5345 2
233 . 2 1 23 23 VAL H H 1 8.006 0.005 . 1 . . . . . . . . 5345 2
234 . 2 1 23 23 VAL CA C 13 67.329 0.005 . 1 . . . . . . . . 5345 2
235 . 2 1 23 23 VAL HA H 1 3.560 0.005 . 1 . . . . . . . . 5345 2
236 . 2 1 23 23 VAL CB C 13 29.810 0.005 . 1 . . . . . . . . 5345 2
237 . 2 1 23 23 VAL HB H 1 2.360 0.005 . 1 . . . . . . . . 5345 2
238 . 2 1 23 23 VAL CG2 C 13 21.100 0.005 . 1 . . . . . . . . 5345 2
239 . 2 1 23 23 VAL HG21 H 1 0.904 0.005 . 2 . . . . . . . . 5345 2
240 . 2 1 23 23 VAL HG22 H 1 0.904 0.005 . 2 . . . . . . . . 5345 2
241 . 2 1 23 23 VAL HG23 H 1 0.904 0.005 . 2 . . . . . . . . 5345 2
242 . 2 1 23 23 VAL CG1 C 13 24.700 0.005 . 1 . . . . . . . . 5345 2
243 . 2 1 23 23 VAL HG11 H 1 1.014 0.005 . 2 . . . . . . . . 5345 2
244 . 2 1 23 23 VAL HG12 H 1 1.014 0.005 . 2 . . . . . . . . 5345 2
245 . 2 1 23 23 VAL HG13 H 1 1.014 0.005 . 2 . . . . . . . . 5345 2
246 . 2 1 23 23 VAL C C 13 179.530 0.005 . 1 . . . . . . . . 5345 2
247 . 2 1 24 24 VAL N N 15 117.900 0.005 . 1 . . . . . . . . 5345 2
248 . 2 1 24 24 VAL H H 1 8.217 0.005 . 1 . . . . . . . . 5345 2
249 . 2 1 24 24 VAL CA C 13 65.871 0.005 . 1 . . . . . . . . 5345 2
250 . 2 1 24 24 VAL HA H 1 3.830 0.005 . 1 . . . . . . . . 5345 2
251 . 2 1 24 24 VAL CB C 13 31.950 0.005 . 1 . . . . . . . . 5345 2
252 . 2 1 24 24 VAL HB H 1 2.139 0.005 . 1 . . . . . . . . 5345 2
253 . 2 1 24 24 VAL CG2 C 13 21.800 0.005 . 1 . . . . . . . . 5345 2
254 . 2 1 24 24 VAL HG21 H 1 0.983 0.005 . 2 . . . . . . . . 5345 2
255 . 2 1 24 24 VAL HG22 H 1 0.983 0.005 . 2 . . . . . . . . 5345 2
256 . 2 1 24 24 VAL HG23 H 1 0.983 0.005 . 2 . . . . . . . . 5345 2
257 . 2 1 24 24 VAL CG1 C 13 21.800 0.005 . 1 . . . . . . . . 5345 2
258 . 2 1 24 24 VAL HG11 H 1 0.925 0.005 . 2 . . . . . . . . 5345 2
259 . 2 1 24 24 VAL HG12 H 1 0.925 0.005 . 2 . . . . . . . . 5345 2
260 . 2 1 24 24 VAL HG13 H 1 0.925 0.005 . 2 . . . . . . . . 5345 2
261 . 2 1 24 24 VAL C C 13 177.758 0.005 . 1 . . . . . . . . 5345 2
262 . 2 1 25 25 ASN N N 15 115.600 0.005 . 1 . . . . . . . . 5345 2
263 . 2 1 25 25 ASN H H 1 8.180 0.005 . 1 . . . . . . . . 5345 2
264 . 2 1 25 25 ASN CA C 13 55.090 0.005 . 1 . . . . . . . . 5345 2
265 . 2 1 25 25 ASN HA H 1 4.770 0.005 . 1 . . . . . . . . 5345 2
266 . 2 1 25 25 ASN CB C 13 39.700 0.005 . 1 . . . . . . . . 5345 2
267 . 2 1 25 25 ASN HB3 H 1 2.690 0.005 . 2 . . . . . . . . 5345 2
268 . 2 1 25 25 ASN HB2 H 1 2.811 0.005 . 2 . . . . . . . . 5345 2
269 . 2 1 25 25 ASN ND2 N 15 116.704 0.005 . 1 . . . . . . . . 5345 2
270 . 2 1 25 25 ASN HD21 H 1 7.385 0.005 . 2 . . . . . . . . 5345 2
271 . 2 1 25 25 ASN HD22 H 1 7.235 0.005 . 2 . . . . . . . . 5345 2
272 . 2 1 25 25 ASN C C 13 174.090 0.005 . 1 . . . . . . . . 5345 2
273 . 2 1 26 26 GLN N N 15 117.181 0.005 . 1 . . . . . . . . 5345 2
274 . 2 1 26 26 GLN H H 1 7.885 0.005 . 1 . . . . . . . . 5345 2
275 . 2 1 26 26 GLN CA C 13 56.634 0.005 . 1 . . . . . . . . 5345 2
276 . 2 1 26 26 GLN HA H 1 4.044 0.005 . 1 . . . . . . . . 5345 2
277 . 2 1 26 26 GLN CB C 13 26.370 0.005 . 1 . . . . . . . . 5345 2
278 . 2 1 26 26 GLN HB3 H 1 2.190 0.005 . 1 . . . . . . . . 5345 2
279 . 2 1 26 26 GLN HB2 H 1 2.190 0.005 . 1 . . . . . . . . 5345 2
280 . 2 1 26 26 GLN CG C 13 34.100 0.005 . 1 . . . . . . . . 5345 2
281 . 2 1 26 26 GLN HG3 H 1 2.266 0.005 . 1 . . . . . . . . 5345 2
282 . 2 1 26 26 GLN HG2 H 1 2.266 0.005 . 1 . . . . . . . . 5345 2
283 . 2 1 26 26 GLN NE2 N 15 112.100 0.005 . 1 . . . . . . . . 5345 2
284 . 2 1 26 26 GLN HE21 H 1 6.675 0.005 . 2 . . . . . . . . 5345 2
285 . 2 1 26 26 GLN HE22 H 1 7.373 0.005 . 2 . . . . . . . . 5345 2
286 . 2 1 26 26 GLN C C 13 175.356 0.005 . 1 . . . . . . . . 5345 2
287 . 2 1 27 27 ALA N N 15 121.651 0.005 . 1 . . . . . . . . 5345 2
288 . 2 1 27 27 ALA H H 1 8.452 0.005 . 1 . . . . . . . . 5345 2
289 . 2 1 27 27 ALA CA C 13 52.657 0.005 . 1 . . . . . . . . 5345 2
290 . 2 1 27 27 ALA HA H 1 4.285 0.005 . 1 . . . . . . . . 5345 2
291 . 2 1 27 27 ALA CB C 13 19.900 0.005 . 1 . . . . . . . . 5345 2
292 . 2 1 27 27 ALA HB1 H 1 1.420 0.005 . 1 . . . . . . . . 5345 2
293 . 2 1 27 27 ALA HB2 H 1 1.420 0.005 . 1 . . . . . . . . 5345 2
294 . 2 1 27 27 ALA HB3 H 1 1.420 0.005 . 1 . . . . . . . . 5345 2
295 . 2 1 27 27 ALA C C 13 178.156 0.005 . 1 . . . . . . . . 5345 2
296 . 2 1 28 28 SER N N 15 112.889 0.005 . 1 . . . . . . . . 5345 2
297 . 2 1 28 28 SER H H 1 8.068 0.005 . 1 . . . . . . . . 5345 2
298 . 2 1 28 28 SER CA C 13 59.372 0.005 . 1 . . . . . . . . 5345 2
299 . 2 1 28 28 SER HA H 1 4.200 0.005 . 1 . . . . . . . . 5345 2
300 . 2 1 28 28 SER CB C 13 63.820 0.005 . 1 . . . . . . . . 5345 2
301 . 2 1 28 28 SER HB3 H 1 3.504 0.005 . 1 . . . . . . . . 5345 2
302 . 2 1 28 28 SER HB2 H 1 3.504 0.005 . 1 . . . . . . . . 5345 2
303 . 2 1 28 28 SER C C 13 174.317 0.005 . 1 . . . . . . . . 5345 2
304 . 2 1 29 29 HIS N N 15 113.780 0.005 . 1 . . . . . . . . 5345 2
305 . 2 1 29 29 HIS H H 1 8.298 0.005 . 1 . . . . . . . . 5345 2
306 . 2 1 29 29 HIS CA C 13 55.660 0.005 . 1 . . . . . . . . 5345 2
307 . 2 1 29 29 HIS HA H 1 4.965 0.005 . 1 . . . . . . . . 5345 2
308 . 2 1 29 29 HIS HB3 H 1 2.650 0.005 . 2 . . . . . . . . 5345 2
309 . 2 1 29 29 HIS HB2 H 1 3.257 0.005 . 2 . . . . . . . . 5345 2
310 . 2 1 29 29 HIS HD2 H 1 7.430 0.005 . 1 . . . . . . . . 5345 2
311 . 2 1 29 29 HIS HE1 H 1 8.750 0.005 . 1 . . . . . . . . 5345 2
312 . 2 1 29 29 HIS C C 13 173.690 0.005 . 1 . . . . . . . . 5345 2
313 . 2 1 30 30 VAL N N 15 119.422 0.005 . 1 . . . . . . . . 5345 2
314 . 2 1 30 30 VAL H H 1 7.652 0.005 . 1 . . . . . . . . 5345 2
315 . 2 1 30 30 VAL CA C 13 60.780 0.005 . 1 . . . . . . . . 5345 2
316 . 2 1 30 30 VAL HA H 1 4.960 0.005 . 1 . . . . . . . . 5345 2
317 . 2 1 30 30 VAL CB C 13 33.600 0.005 . 1 . . . . . . . . 5345 2
318 . 2 1 30 30 VAL HB H 1 1.776 0.005 . 1 . . . . . . . . 5345 2
319 . 2 1 30 30 VAL CG2 C 13 21.500 0.005 . 1 . . . . . . . . 5345 2
320 . 2 1 30 30 VAL HG21 H 1 0.750 0.005 . 2 . . . . . . . . 5345 2
321 . 2 1 30 30 VAL HG22 H 1 0.750 0.005 . 2 . . . . . . . . 5345 2
322 . 2 1 30 30 VAL HG23 H 1 0.750 0.005 . 2 . . . . . . . . 5345 2
323 . 2 1 30 30 VAL CG1 C 13 21.900 0.005 . 1 . . . . . . . . 5345 2
324 . 2 1 30 30 VAL HG11 H 1 0.970 0.005 . 2 . . . . . . . . 5345 2
325 . 2 1 30 30 VAL HG12 H 1 0.970 0.005 . 2 . . . . . . . . 5345 2
326 . 2 1 30 30 VAL HG13 H 1 0.970 0.005 . 2 . . . . . . . . 5345 2
327 . 2 1 30 30 VAL C C 13 176.833 0.005 . 1 . . . . . . . . 5345 2
328 . 2 1 31 31 SER N N 15 126.680 0.005 . 1 . . . . . . . . 5345 2
329 . 2 1 31 31 SER H H 1 9.902 0.005 . 1 . . . . . . . . 5345 2
330 . 2 1 31 31 SER CA C 13 58.897 0.005 . 1 . . . . . . . . 5345 2
331 . 2 1 31 31 SER HA H 1 4.494 0.005 . 1 . . . . . . . . 5345 2
332 . 2 1 31 31 SER CB C 13 64.790 0.005 . 1 . . . . . . . . 5345 2
333 . 2 1 31 31 SER HB3 H 1 3.990 0.005 . 2 . . . . . . . . 5345 2
334 . 2 1 31 31 SER HB2 H 1 4.260 0.005 . 2 . . . . . . . . 5345 2
335 . 2 1 31 31 SER C C 13 174.521 0.005 . 1 . . . . . . . . 5345 2
336 . 2 1 32 32 ALA N N 15 125.300 0.005 . 1 . . . . . . . . 5345 2
337 . 2 1 32 32 ALA H H 1 8.874 0.005 . 1 . . . . . . . . 5345 2
338 . 2 1 32 32 ALA CA C 13 55.943 0.005 . 1 . . . . . . . . 5345 2
339 . 2 1 32 32 ALA HA H 1 4.045 0.005 . 1 . . . . . . . . 5345 2
340 . 2 1 32 32 ALA CB C 13 18.110 0.005 . 1 . . . . . . . . 5345 2
341 . 2 1 32 32 ALA HB1 H 1 1.482 0.005 . 1 . . . . . . . . 5345 2
342 . 2 1 32 32 ALA HB2 H 1 1.482 0.005 . 1 . . . . . . . . 5345 2
343 . 2 1 32 32 ALA HB3 H 1 1.482 0.005 . 1 . . . . . . . . 5345 2
344 . 2 1 32 32 ALA C C 13 180.510 0.005 . 1 . . . . . . . . 5345 2
345 . 2 1 33 33 LYS N N 15 116.700 0.005 . 1 . . . . . . . . 5345 2
346 . 2 1 33 33 LYS H H 1 8.308 0.005 . 1 . . . . . . . . 5345 2
347 . 2 1 33 33 LYS CA C 13 59.141 0.005 . 1 . . . . . . . . 5345 2
348 . 2 1 33 33 LYS HA H 1 4.115 0.005 . 1 . . . . . . . . 5345 2
349 . 2 1 33 33 LYS CB C 13 31.900 0.005 . 1 . . . . . . . . 5345 2
350 . 2 1 33 33 LYS HB3 H 1 1.794 0.005 . 2 . . . . . . . . 5345 2
351 . 2 1 33 33 LYS HB2 H 1 1.883 0.005 . 2 . . . . . . . . 5345 2
352 . 2 1 33 33 LYS CG C 13 24.700 0.005 . 1 . . . . . . . . 5345 2
353 . 2 1 33 33 LYS HG3 H 1 1.500 0.005 . 1 . . . . . . . . 5345 2
354 . 2 1 33 33 LYS HG2 H 1 1.500 0.005 . 1 . . . . . . . . 5345 2
355 . 2 1 33 33 LYS CD C 13 28.900 0.005 . 1 . . . . . . . . 5345 2
356 . 2 1 33 33 LYS HD3 H 1 1.695 0.005 . 1 . . . . . . . . 5345 2
357 . 2 1 33 33 LYS HD2 H 1 1.695 0.005 . 1 . . . . . . . . 5345 2
358 . 2 1 33 33 LYS HE3 H 1 2.979 0.005 . 1 . . . . . . . . 5345 2
359 . 2 1 33 33 LYS HE2 H 1 2.979 0.005 . 1 . . . . . . . . 5345 2
360 . 2 1 33 33 LYS C C 13 179.414 0.005 . 1 . . . . . . . . 5345 2
361 . 2 1 34 34 THR N N 15 121.100 0.005 . 1 . . . . . . . . 5345 2
362 . 2 1 34 34 THR H H 1 7.809 0.005 . 1 . . . . . . . . 5345 2
363 . 2 1 34 34 THR CA C 13 66.806 0.005 . 1 . . . . . . . . 5345 2
364 . 2 1 34 34 THR HA H 1 3.789 0.005 . 1 . . . . . . . . 5345 2
365 . 2 1 34 34 THR CB C 13 67.300 0.005 . 1 . . . . . . . . 5345 2
366 . 2 1 34 34 THR HB H 1 4.240 0.005 . 1 . . . . . . . . 5345 2
367 . 2 1 34 34 THR CG2 C 13 24.400 0.005 . 1 . . . . . . . . 5345 2
368 . 2 1 34 34 THR HG21 H 1 1.018 0.005 . 1 . . . . . . . . 5345 2
369 . 2 1 34 34 THR HG22 H 1 1.018 0.005 . 1 . . . . . . . . 5345 2
370 . 2 1 34 34 THR HG23 H 1 1.018 0.005 . 1 . . . . . . . . 5345 2
371 . 2 1 34 34 THR C C 13 175.709 0.005 . 1 . . . . . . . . 5345 2
372 . 2 1 35 35 ARG N N 15 123.200 0.005 . 1 . . . . . . . . 5345 2
373 . 2 1 35 35 ARG H H 1 8.679 0.005 . 1 . . . . . . . . 5345 2
374 . 2 1 35 35 ARG CA C 13 60.973 0.005 . 1 . . . . . . . . 5345 2
375 . 2 1 35 35 ARG HA H 1 3.760 0.005 . 1 . . . . . . . . 5345 2
376 . 2 1 35 35 ARG CB C 13 29.700 0.005 . 1 . . . . . . . . 5345 2
377 . 2 1 35 35 ARG HB3 H 1 1.854 0.005 . 1 . . . . . . . . 5345 2
378 . 2 1 35 35 ARG HB2 H 1 1.854 0.005 . 1 . . . . . . . . 5345 2
379 . 2 1 35 35 ARG CG C 13 27.950 0.005 . 1 . . . . . . . . 5345 2
380 . 2 1 35 35 ARG HG3 H 1 1.510 0.005 . 1 . . . . . . . . 5345 2
381 . 2 1 35 35 ARG HG2 H 1 1.510 0.005 . 1 . . . . . . . . 5345 2
382 . 2 1 35 35 ARG CD C 13 44.000 0.005 . 1 . . . . . . . . 5345 2
383 . 2 1 35 35 ARG HD3 H 1 3.240 0.005 . 1 . . . . . . . . 5345 2
384 . 2 1 35 35 ARG HD2 H 1 3.240 0.005 . 1 . . . . . . . . 5345 2
385 . 2 1 35 35 ARG NE N 15 89.000 0.005 . 1 . . . . . . . . 5345 2
386 . 2 1 35 35 ARG HE H 1 7.010 0.005 . 1 . . . . . . . . 5345 2
387 . 2 1 35 35 ARG C C 13 178.003 0.005 . 1 . . . . . . . . 5345 2
388 . 2 1 36 36 GLU N N 15 117.571 0.005 . 1 . . . . . . . . 5345 2
389 . 2 1 36 36 GLU H H 1 8.179 0.005 . 1 . . . . . . . . 5345 2
390 . 2 1 36 36 GLU CA C 13 59.829 0.005 . 1 . . . . . . . . 5345 2
391 . 2 1 36 36 GLU HA H 1 4.010 0.005 . 1 . . . . . . . . 5345 2
392 . 2 1 36 36 GLU CB C 13 29.700 0.005 . 1 . . . . . . . . 5345 2
393 . 2 1 36 36 GLU HB3 H 1 2.130 0.005 . 1 . . . . . . . . 5345 2
394 . 2 1 36 36 GLU HB2 H 1 2.130 0.005 . 1 . . . . . . . . 5345 2
395 . 2 1 36 36 GLU CG C 13 36.400 0.005 . 1 . . . . . . . . 5345 2
396 . 2 1 36 36 GLU HG3 H 1 2.250 0.005 . 2 . . . . . . . . 5345 2
397 . 2 1 36 36 GLU HG2 H 1 2.461 0.005 . 2 . . . . . . . . 5345 2
398 . 2 1 36 36 GLU C C 13 179.376 0.005 . 1 . . . . . . . . 5345 2
399 . 2 1 37 37 LYS N N 15 120.062 0.005 . 1 . . . . . . . . 5345 2
400 . 2 1 37 37 LYS H H 1 7.694 0.005 . 1 . . . . . . . . 5345 2
401 . 2 1 37 37 LYS CA C 13 59.709 0.005 . 1 . . . . . . . . 5345 2
402 . 2 1 37 37 LYS HA H 1 4.260 0.005 . 1 . . . . . . . . 5345 2
403 . 2 1 37 37 LYS CB C 13 32.800 0.005 . 1 . . . . . . . . 5345 2
404 . 2 1 37 37 LYS HB3 H 1 1.980 0.005 . 2 . . . . . . . . 5345 2
405 . 2 1 37 37 LYS HB2 H 1 2.070 0.005 . 2 . . . . . . . . 5345 2
406 . 2 1 37 37 LYS CG C 13 24.800 0.005 . 1 . . . . . . . . 5345 2
407 . 2 1 37 37 LYS HG3 H 1 1.510 0.005 . 2 . . . . . . . . 5345 2
408 . 2 1 37 37 LYS HG2 H 1 1.670 0.005 . 2 . . . . . . . . 5345 2
409 . 2 1 37 37 LYS CD C 13 29.700 0.005 . 1 . . . . . . . . 5345 2
410 . 2 1 37 37 LYS HD3 H 1 1.792 0.005 . 1 . . . . . . . . 5345 2
411 . 2 1 37 37 LYS HD2 H 1 1.792 0.005 . 1 . . . . . . . . 5345 2
412 . 2 1 37 37 LYS HE3 H 1 2.970 0.005 . 1 . . . . . . . . 5345 2
413 . 2 1 37 37 LYS HE2 H 1 2.970 0.005 . 1 . . . . . . . . 5345 2
414 . 2 1 37 37 LYS C C 13 179.752 0.005 . 1 . . . . . . . . 5345 2
415 . 2 1 38 38 VAL N N 15 120.731 0.005 . 1 . . . . . . . . 5345 2
416 . 2 1 38 38 VAL H H 1 8.162 0.005 . 1 . . . . . . . . 5345 2
417 . 2 1 38 38 VAL CA C 13 67.442 0.005 . 1 . . . . . . . . 5345 2
418 . 2 1 38 38 VAL HA H 1 3.443 0.005 . 1 . . . . . . . . 5345 2
419 . 2 1 38 38 VAL CB C 13 31.850 0.005 . 1 . . . . . . . . 5345 2
420 . 2 1 38 38 VAL HB H 1 2.170 0.005 . 1 . . . . . . . . 5345 2
421 . 2 1 38 38 VAL CG2 C 13 22.700 0.005 . 1 . . . . . . . . 5345 2
422 . 2 1 38 38 VAL HG21 H 1 0.872 0.005 . 2 . . . . . . . . 5345 2
423 . 2 1 38 38 VAL HG22 H 1 0.872 0.005 . 2 . . . . . . . . 5345 2
424 . 2 1 38 38 VAL HG23 H 1 0.872 0.005 . 2 . . . . . . . . 5345 2
425 . 2 1 38 38 VAL CG1 C 13 24.300 0.005 . 1 . . . . . . . . 5345 2
426 . 2 1 38 38 VAL HG11 H 1 0.895 0.005 . 2 . . . . . . . . 5345 2
427 . 2 1 38 38 VAL HG12 H 1 0.895 0.005 . 2 . . . . . . . . 5345 2
428 . 2 1 38 38 VAL HG13 H 1 0.895 0.005 . 2 . . . . . . . . 5345 2
429 . 2 1 38 38 VAL C C 13 177.686 0.005 . 1 . . . . . . . . 5345 2
430 . 2 1 39 39 GLU N N 15 120.326 0.005 . 1 . . . . . . . . 5345 2
431 . 2 1 39 39 GLU H H 1 8.909 0.005 . 1 . . . . . . . . 5345 2
432 . 2 1 39 39 GLU CA C 13 60.534 0.005 . 1 . . . . . . . . 5345 2
433 . 2 1 39 39 GLU HA H 1 4.014 0.005 . 1 . . . . . . . . 5345 2
434 . 2 1 39 39 GLU CB C 13 32.920 0.005 . 1 . . . . . . . . 5345 2
435 . 2 1 39 39 GLU HB3 H 1 2.099 0.005 . 2 . . . . . . . . 5345 2
436 . 2 1 39 39 GLU HB2 H 1 1.960 0.005 . 2 . . . . . . . . 5345 2
437 . 2 1 39 39 GLU CG C 13 37.300 0.005 . 1 . . . . . . . . 5345 2
438 . 2 1 39 39 GLU HG3 H 1 2.090 0.005 . 2 . . . . . . . . 5345 2
439 . 2 1 39 39 GLU HG2 H 1 2.480 0.005 . 2 . . . . . . . . 5345 2
440 . 2 1 39 39 GLU CD C 13 0.000 0.005 . 1 . . . . . . . . 5345 2
441 . 2 1 39 39 GLU C C 13 180.347 0.005 . 1 . . . . . . . . 5345 2
442 . 2 1 40 40 ALA N N 15 122.672 0.005 . 1 . . . . . . . . 5345 2
443 . 2 1 40 40 ALA H H 1 8.372 0.005 . 1 . . . . . . . . 5345 2
444 . 2 1 40 40 ALA CA C 13 55.400 0.005 . 1 . . . . . . . . 5345 2
445 . 2 1 40 40 ALA HA H 1 4.300 0.005 . 1 . . . . . . . . 5345 2
446 . 2 1 40 40 ALA CB C 13 17.900 0.005 . 1 . . . . . . . . 5345 2
447 . 2 1 40 40 ALA HB1 H 1 1.573 0.005 . 1 . . . . . . . . 5345 2
448 . 2 1 40 40 ALA HB2 H 1 1.573 0.005 . 1 . . . . . . . . 5345 2
449 . 2 1 40 40 ALA HB3 H 1 1.573 0.005 . 1 . . . . . . . . 5345 2
450 . 2 1 40 40 ALA C C 13 179.721 0.005 . 1 . . . . . . . . 5345 2
451 . 2 1 41 41 ALA N N 15 121.520 0.005 . 1 . . . . . . . . 5345 2
452 . 2 1 41 41 ALA H H 1 7.714 0.005 . 1 . . . . . . . . 5345 2
453 . 2 1 41 41 ALA CA C 13 55.431 0.005 . 1 . . . . . . . . 5345 2
454 . 2 1 41 41 ALA HA H 1 4.136 0.005 . 1 . . . . . . . . 5345 2
455 . 2 1 41 41 ALA CB C 13 20.000 0.005 . 1 . . . . . . . . 5345 2
456 . 2 1 41 41 ALA HB1 H 1 1.700 0.005 . 1 . . . . . . . . 5345 2
457 . 2 1 41 41 ALA HB2 H 1 1.700 0.005 . 1 . . . . . . . . 5345 2
458 . 2 1 41 41 ALA HB3 H 1 1.700 0.005 . 1 . . . . . . . . 5345 2
459 . 2 1 41 41 ALA C C 13 179.200 0.005 . 1 . . . . . . . . 5345 2
460 . 2 1 42 42 MET N N 15 115.799 0.005 . 1 . . . . . . . . 5345 2
461 . 2 1 42 42 MET H H 1 8.320 0.005 . 1 . . . . . . . . 5345 2
462 . 2 1 42 42 MET CA C 13 60.810 0.005 . 1 . . . . . . . . 5345 2
463 . 2 1 42 42 MET HA H 1 3.670 0.005 . 1 . . . . . . . . 5345 2
464 . 2 1 42 42 MET CB C 13 37.100 0.005 . 1 . . . . . . . . 5345 2
465 . 2 1 42 42 MET HB3 H 1 2.320 0.005 . 1 . . . . . . . . 5345 2
466 . 2 1 42 42 MET HB2 H 1 2.320 0.005 . 1 . . . . . . . . 5345 2
467 . 2 1 42 42 MET CG C 13 31.800 0.005 . 1 . . . . . . . . 5345 2
468 . 2 1 42 42 MET HG3 H 1 2.790 0.005 . 1 . . . . . . . . 5345 2
469 . 2 1 42 42 MET HG2 H 1 2.790 0.005 . 1 . . . . . . . . 5345 2
470 . 2 1 42 42 MET CE C 13 17.250 0.005 . 1 . . . . . . . . 5345 2
471 . 2 1 42 42 MET HE1 H 1 1.920 0.005 . 1 . . . . . . . . 5345 2
472 . 2 1 42 42 MET HE2 H 1 1.920 0.005 . 1 . . . . . . . . 5345 2
473 . 2 1 42 42 MET HE3 H 1 1.920 0.005 . 1 . . . . . . . . 5345 2
474 . 2 1 42 42 MET C C 13 178.044 0.005 . 1 . . . . . . . . 5345 2
475 . 2 1 43 43 ALA N N 15 120.341 0.005 . 1 . . . . . . . . 5345 2
476 . 2 1 43 43 ALA H H 1 7.644 0.005 . 1 . . . . . . . . 5345 2
477 . 2 1 43 43 ALA CA C 13 54.870 0.005 . 1 . . . . . . . . 5345 2
478 . 2 1 43 43 ALA HA H 1 4.250 0.005 . 1 . . . . . . . . 5345 2
479 . 2 1 43 43 ALA CB C 13 18.400 0.005 . 1 . . . . . . . . 5345 2
480 . 2 1 43 43 ALA HB1 H 1 1.550 0.005 . 1 . . . . . . . . 5345 2
481 . 2 1 43 43 ALA HB2 H 1 1.550 0.005 . 1 . . . . . . . . 5345 2
482 . 2 1 43 43 ALA HB3 H 1 1.550 0.005 . 1 . . . . . . . . 5345 2
483 . 2 1 43 43 ALA C C 13 181.236 0.005 . 1 . . . . . . . . 5345 2
484 . 2 1 44 44 GLU N N 15 120.376 0.005 . 1 . . . . . . . . 5345 2
485 . 2 1 44 44 GLU H H 1 8.517 0.005 . 1 . . . . . . . . 5345 2
486 . 2 1 44 44 GLU CA C 13 59.440 0.005 . 1 . . . . . . . . 5345 2
487 . 2 1 44 44 GLU HA H 1 3.963 0.005 . 1 . . . . . . . . 5345 2
488 . 2 1 44 44 GLU CB C 13 29.600 0.005 . 1 . . . . . . . . 5345 2
489 . 2 1 44 44 GLU HB3 H 1 1.948 0.005 . 2 . . . . . . . . 5345 2
490 . 2 1 44 44 GLU HB2 H 1 2.120 0.005 . 2 . . . . . . . . 5345 2
491 . 2 1 44 44 GLU CG C 13 36.200 0.005 . 1 . . . . . . . . 5345 2
492 . 2 1 44 44 GLU HG3 H 1 2.340 0.005 . 2 . . . . . . . . 5345 2
493 . 2 1 44 44 GLU HG2 H 1 2.410 0.005 . 2 . . . . . . . . 5345 2
494 . 2 1 44 44 GLU C C 13 178.692 0.005 . 1 . . . . . . . . 5345 2
495 . 2 1 45 45 LEU N N 15 114.990 0.005 . 1 . . . . . . . . 5345 2
496 . 2 1 45 45 LEU H H 1 7.728 0.005 . 1 . . . . . . . . 5345 2
497 . 2 1 45 45 LEU CA C 13 54.545 0.005 . 1 . . . . . . . . 5345 2
498 . 2 1 45 45 LEU HA H 1 4.126 0.005 . 1 . . . . . . . . 5345 2
499 . 2 1 45 45 LEU CB C 13 42.470 0.005 . 1 . . . . . . . . 5345 2
500 . 2 1 45 45 LEU HB3 H 1 1.520 0.005 . 2 . . . . . . . . 5345 2
501 . 2 1 45 45 LEU HB2 H 1 1.670 0.005 . 2 . . . . . . . . 5345 2
502 . 2 1 45 45 LEU CG C 13 26.700 0.005 . 1 . . . . . . . . 5345 2
503 . 2 1 45 45 LEU HG H 1 1.215 0.005 . 1 . . . . . . . . 5345 2
504 . 2 1 45 45 LEU CD1 C 13 21.500 0.005 . 1 . . . . . . . . 5345 2
505 . 2 1 45 45 LEU HD11 H 1 0.407 0.005 . 2 . . . . . . . . 5345 2
506 . 2 1 45 45 LEU HD12 H 1 0.407 0.005 . 2 . . . . . . . . 5345 2
507 . 2 1 45 45 LEU HD13 H 1 0.407 0.005 . 2 . . . . . . . . 5345 2
508 . 2 1 45 45 LEU CD2 C 13 25.600 0.005 . 1 . . . . . . . . 5345 2
509 . 2 1 45 45 LEU HD21 H 1 0.450 0.005 . 2 . . . . . . . . 5345 2
510 . 2 1 45 45 LEU HD22 H 1 0.450 0.005 . 2 . . . . . . . . 5345 2
511 . 2 1 45 45 LEU HD23 H 1 0.450 0.005 . 2 . . . . . . . . 5345 2
512 . 2 1 45 45 LEU C C 13 176.209 0.005 . 1 . . . . . . . . 5345 2
513 . 2 1 46 46 ASN N N 15 116.657 0.005 . 1 . . . . . . . . 5345 2
514 . 2 1 46 46 ASN H H 1 7.674 0.005 . 1 . . . . . . . . 5345 2
515 . 2 1 46 46 ASN CA C 13 53.930 0.005 . 1 . . . . . . . . 5345 2
516 . 2 1 46 46 ASN HA H 1 4.248 0.005 . 1 . . . . . . . . 5345 2
517 . 2 1 46 46 ASN CB C 13 37.210 0.005 . 1 . . . . . . . . 5345 2
518 . 2 1 46 46 ASN HB3 H 1 2.620 0.005 . 2 . . . . . . . . 5345 2
519 . 2 1 46 46 ASN HB2 H 1 3.127 0.005 . 2 . . . . . . . . 5345 2
520 . 2 1 46 46 ASN ND2 N 15 111.500 0.005 . 1 . . . . . . . . 5345 2
521 . 2 1 46 46 ASN HD21 H 1 7.302 0.005 . 2 . . . . . . . . 5345 2
522 . 2 1 46 46 ASN HD22 H 1 6.615 0.005 . 2 . . . . . . . . 5345 2
523 . 2 1 46 46 ASN C C 13 174.212 0.005 . 1 . . . . . . . . 5345 2
524 . 2 1 47 47 TYR N N 15 116.500 0.005 . 1 . . . . . . . . 5345 2
525 . 2 1 47 47 TYR H H 1 8.118 0.005 . 1 . . . . . . . . 5345 2
526 . 2 1 47 47 TYR CA C 13 60.608 0.005 . 1 . . . . . . . . 5345 2
527 . 2 1 47 47 TYR HA H 1 3.914 0.005 . 1 . . . . . . . . 5345 2
528 . 2 1 47 47 TYR CB C 13 38.820 0.005 . 1 . . . . . . . . 5345 2
529 . 2 1 47 47 TYR HB3 H 1 2.570 0.005 . 1 . . . . . . . . 5345 2
530 . 2 1 47 47 TYR HB2 H 1 2.570 0.005 . 1 . . . . . . . . 5345 2
531 . 2 1 47 47 TYR HD1 H 1 6.750 0.005 . 1 . . . . . . . . 5345 2
532 . 2 1 47 47 TYR HE1 H 1 6.720 0.005 . 1 . . . . . . . . 5345 2
533 . 2 1 47 47 TYR HH H 1 10.203 0.005 . 1 . . . . . . . . 5345 2
534 . 2 1 47 47 TYR HE2 H 1 6.720 0.005 . 1 . . . . . . . . 5345 2
535 . 2 1 47 47 TYR HD2 H 1 6.750 0.005 . 1 . . . . . . . . 5345 2
536 . 2 1 47 47 TYR C C 13 174.580 0.005 . 1 . . . . . . . . 5345 2
537 . 2 1 48 48 ILE N N 15 130.900 0.005 . 1 . . . . . . . . 5345 2
538 . 2 1 48 48 ILE H H 1 7.520 0.005 . 1 . . . . . . . . 5345 2
539 . 2 1 48 48 ILE CA C 13 57.605 0.005 . 1 . . . . . . . . 5345 2
540 . 2 1 48 48 ILE HA H 1 3.950 0.005 . 1 . . . . . . . . 5345 2
541 . 2 1 48 48 ILE CB C 13 41.100 0.005 . 1 . . . . . . . . 5345 2
542 . 2 1 48 48 ILE HB H 1 1.475 0.005 . 1 . . . . . . . . 5345 2
543 . 2 1 48 48 ILE CG1 C 13 26.800 0.005 . 2 . . . . . . . . 5345 2
544 . 2 1 48 48 ILE HG13 H 1 0.932 0.005 . 1 . . . . . . . . 5345 2
545 . 2 1 48 48 ILE HG12 H 1 1.370 0.005 . 1 . . . . . . . . 5345 2
546 . 2 1 48 48 ILE CD1 C 13 12.700 0.005 . 1 . . . . . . . . 5345 2
547 . 2 1 48 48 ILE HD11 H 1 0.750 0.005 . 1 . . . . . . . . 5345 2
548 . 2 1 48 48 ILE HD12 H 1 0.750 0.005 . 1 . . . . . . . . 5345 2
549 . 2 1 48 48 ILE HD13 H 1 0.750 0.005 . 1 . . . . . . . . 5345 2
550 . 2 1 48 48 ILE CG2 C 13 16.600 0.005 . 1 . . . . . . . . 5345 2
551 . 2 1 48 48 ILE HG21 H 1 0.764 0.005 . 1 . . . . . . . . 5345 2
552 . 2 1 48 48 ILE HG22 H 1 0.764 0.005 . 1 . . . . . . . . 5345 2
553 . 2 1 48 48 ILE HG23 H 1 0.764 0.005 . 1 . . . . . . . . 5345 2
554 . 2 1 48 48 ILE C C 13 174.526 0.005 . 1 . . . . . . . . 5345 2
555 . 2 1 49 49 PRO CA C 13 62.900 0.005 . 1 . . . . . . . . 5345 2
556 . 2 1 49 49 PRO HA H 1 4.100 0.005 . 1 . . . . . . . . 5345 2
557 . 2 1 49 49 PRO HB3 H 1 1.460 0.005 . 2 . . . . . . . . 5345 2
558 . 2 1 49 49 PRO HB2 H 1 2.040 0.005 . 2 . . . . . . . . 5345 2
559 . 2 1 49 49 PRO HG3 H 1 1.690 0.005 . 2 . . . . . . . . 5345 2
560 . 2 1 49 49 PRO HG2 H 1 1.730 0.005 . 2 . . . . . . . . 5345 2
561 . 2 1 49 49 PRO HD3 H 1 3.120 0.005 . 2 . . . . . . . . 5345 2
562 . 2 1 49 49 PRO HD2 H 1 3.240 0.005 . 2 . . . . . . . . 5345 2
563 . 2 1 49 49 PRO C C 13 176.109 0.005 . 1 . . . . . . . . 5345 2
564 . 2 1 50 50 ASN N N 15 120.900 0.005 . 1 . . . . . . . . 5345 2
565 . 2 1 50 50 ASN H H 1 8.015 0.005 . 1 . . . . . . . . 5345 2
566 . 2 1 50 50 ASN CA C 13 53.324 0.005 . 1 . . . . . . . . 5345 2
567 . 2 1 50 50 ASN HA H 1 4.160 0.005 . 1 . . . . . . . . 5345 2
568 . 2 1 50 50 ASN CB C 13 38.600 0.005 . 1 . . . . . . . . 5345 2
569 . 2 1 50 50 ASN HB3 H 1 2.665 0.005 . 2 . . . . . . . . 5345 2
570 . 2 1 50 50 ASN HB2 H 1 3.175 0.005 . 2 . . . . . . . . 5345 2
571 . 2 1 50 50 ASN ND2 N 15 114.135 0.005 . 1 . . . . . . . . 5345 2
572 . 2 1 50 50 ASN HD21 H 1 6.721 0.005 . 2 . . . . . . . . 5345 2
573 . 2 1 50 50 ASN HD22 H 1 8.110 0.005 . 2 . . . . . . . . 5345 2
574 . 2 1 50 50 ASN C C 13 175.364 0.005 . 1 . . . . . . . . 5345 2
575 . 2 1 51 51 ARG N N 15 127.655 0.005 . 1 . . . . . . . . 5345 2
576 . 2 1 51 51 ARG H H 1 8.239 0.005 . 1 . . . . . . . . 5345 2
577 . 2 1 51 51 ARG CA C 13 58.696 0.005 . 1 . . . . . . . . 5345 2
578 . 2 1 51 51 ARG HA H 1 4.308 0.005 . 1 . . . . . . . . 5345 2
579 . 2 1 51 51 ARG CB C 13 29.800 0.005 . 1 . . . . . . . . 5345 2
580 . 2 1 51 51 ARG HB3 H 1 1.850 0.005 . 1 . . . . . . . . 5345 2
581 . 2 1 51 51 ARG HB2 H 1 1.850 0.005 . 1 . . . . . . . . 5345 2
582 . 2 1 51 51 ARG CG C 13 27.000 0.005 . 1 . . . . . . . . 5345 2
583 . 2 1 51 51 ARG HG3 H 1 1.710 0.005 . 1 . . . . . . . . 5345 2
584 . 2 1 51 51 ARG HG2 H 1 1.710 0.005 . 1 . . . . . . . . 5345 2
585 . 2 1 51 51 ARG CD C 13 43.140 0.005 . 1 . . . . . . . . 5345 2
586 . 2 1 51 51 ARG HD3 H 1 3.184 0.005 . 1 . . . . . . . . 5345 2
587 . 2 1 51 51 ARG HD2 H 1 3.184 0.005 . 1 . . . . . . . . 5345 2
588 . 2 1 51 51 ARG NE N 15 87.300 0.005 . 1 . . . . . . . . 5345 2
589 . 2 1 51 51 ARG HE H 1 7.050 0.005 . 1 . . . . . . . . 5345 2
590 . 2 1 51 51 ARG C C 13 179.737 0.005 . 1 . . . . . . . . 5345 2
591 . 2 1 52 52 CYS N N 15 117.810 0.005 . 1 . . . . . . . . 5345 2
592 . 2 1 52 52 CYS H H 1 8.331 0.005 . 1 . . . . . . . . 5345 2
593 . 2 1 52 52 CYS CA C 13 55.027 0.005 . 1 . . . . . . . . 5345 2
594 . 2 1 52 52 CYS HA H 1 4.750 0.005 . 1 . . . . . . . . 5345 2
595 . 2 1 52 52 CYS CB C 13 31.406 0.005 . 1 . . . . . . . . 5345 2
596 . 2 1 52 52 CYS HB3 H 1 2.695 0.005 . 2 . . . . . . . . 5345 2
597 . 2 1 52 52 CYS HB2 H 1 3.000 0.005 . 2 . . . . . . . . 5345 2
598 . 2 1 52 52 CYS C C 13 176.839 0.005 . 1 . . . . . . . . 5345 2
599 . 2 1 53 53 ALA N N 15 124.000 0.005 . 1 . . . . . . . . 5345 2
600 . 2 1 53 53 ALA H H 1 8.115 0.005 . 1 . . . . . . . . 5345 2
601 . 2 1 53 53 ALA CA C 13 55.521 0.005 . 1 . . . . . . . . 5345 2
602 . 2 1 53 53 ALA HA H 1 3.882 0.005 . 1 . . . . . . . . 5345 2
603 . 2 1 53 53 ALA CB C 13 19.000 0.005 . 1 . . . . . . . . 5345 2
604 . 2 1 53 53 ALA HB1 H 1 1.862 0.005 . 1 . . . . . . . . 5345 2
605 . 2 1 53 53 ALA HB2 H 1 1.862 0.005 . 1 . . . . . . . . 5345 2
606 . 2 1 53 53 ALA HB3 H 1 1.862 0.005 . 1 . . . . . . . . 5345 2
607 . 2 1 53 53 ALA C C 13 180.900 0.005 . 1 . . . . . . . . 5345 2
608 . 2 1 54 54 GLN N N 15 114.647 0.005 . 1 . . . . . . . . 5345 2
609 . 2 1 54 54 GLN H H 1 7.648 0.005 . 1 . . . . . . . . 5345 2
610 . 2 1 54 54 GLN CA C 13 60.031 0.005 . 1 . . . . . . . . 5345 2
611 . 2 1 54 54 GLN HA H 1 3.882 0.005 . 1 . . . . . . . . 5345 2
612 . 2 1 54 54 GLN CB C 13 29.996 0.005 . 1 . . . . . . . . 5345 2
613 . 2 1 54 54 GLN HB3 H 1 1.965 0.005 . 2 . . . . . . . . 5345 2
614 . 2 1 54 54 GLN HB2 H 1 1.853 0.005 . 2 . . . . . . . . 5345 2
615 . 2 1 54 54 GLN CG C 13 33.700 0.005 . 1 . . . . . . . . 5345 2
616 . 2 1 54 54 GLN HG3 H 1 2.460 0.005 . 2 . . . . . . . . 5345 2
617 . 2 1 54 54 GLN HG2 H 1 2.560 0.005 . 2 . . . . . . . . 5345 2
618 . 2 1 54 54 GLN NE2 N 15 113.125 0.005 . 1 . . . . . . . . 5345 2
619 . 2 1 54 54 GLN HE21 H 1 6.384 0.005 . 2 . . . . . . . . 5345 2
620 . 2 1 54 54 GLN HE22 H 1 8.027 0.005 . 2 . . . . . . . . 5345 2
621 . 2 1 54 54 GLN C C 13 177.943 0.005 . 1 . . . . . . . . 5345 2
622 . 2 1 55 55 GLN N N 15 119.180 0.005 . 1 . . . . . . . . 5345 2
623 . 2 1 55 55 GLN H H 1 8.280 0.005 . 1 . . . . . . . . 5345 2
624 . 2 1 55 55 GLN CA C 13 59.079 0.005 . 1 . . . . . . . . 5345 2
625 . 2 1 55 55 GLN HA H 1 4.030 0.005 . 1 . . . . . . . . 5345 2
626 . 2 1 55 55 GLN CB C 13 29.100 0.005 . 1 . . . . . . . . 5345 2
627 . 2 1 55 55 GLN HB3 H 1 2.130 0.005 . 2 . . . . . . . . 5345 2
628 . 2 1 55 55 GLN HB2 H 1 2.244 0.005 . 2 . . . . . . . . 5345 2
629 . 2 1 55 55 GLN CG C 13 34.800 0.005 . 1 . . . . . . . . 5345 2
630 . 2 1 55 55 GLN HG3 H 1 2.256 0.005 . 2 . . . . . . . . 5345 2
631 . 2 1 55 55 GLN HG2 H 1 2.474 0.005 . 2 . . . . . . . . 5345 2
632 . 2 1 55 55 GLN NE2 N 15 111.800 0.005 . 1 . . . . . . . . 5345 2
633 . 2 1 55 55 GLN HE21 H 1 6.720 0.005 . 2 . . . . . . . . 5345 2
634 . 2 1 55 55 GLN HE22 H 1 7.258 0.005 . 2 . . . . . . . . 5345 2
635 . 2 1 55 55 GLN C C 13 180.263 0.005 . 1 . . . . . . . . 5345 2
636 . 2 1 56 56 LEU N N 15 122.280 0.005 . 1 . . . . . . . . 5345 2
637 . 2 1 56 56 LEU H H 1 8.185 0.005 . 1 . . . . . . . . 5345 2
638 . 2 1 56 56 LEU CA C 13 58.107 0.005 . 1 . . . . . . . . 5345 2
639 . 2 1 56 56 LEU HA H 1 3.870 0.005 . 1 . . . . . . . . 5345 2
640 . 2 1 56 56 LEU CB C 13 41.992 0.005 . 1 . . . . . . . . 5345 2
641 . 2 1 56 56 LEU HB3 H 1 1.140 0.005 . 2 . . . . . . . . 5345 2
642 . 2 1 56 56 LEU HB2 H 1 1.370 0.005 . 2 . . . . . . . . 5345 2
643 . 2 1 56 56 LEU CG C 13 27.500 0.005 . 1 . . . . . . . . 5345 2
644 . 2 1 56 56 LEU HG H 1 1.280 0.005 . 1 . . . . . . . . 5345 2
645 . 2 1 56 56 LEU CD1 C 13 24.300 0.005 . 1 . . . . . . . . 5345 2
646 . 2 1 56 56 LEU HD11 H 1 0.470 0.005 . 2 . . . . . . . . 5345 2
647 . 2 1 56 56 LEU HD12 H 1 0.470 0.005 . 2 . . . . . . . . 5345 2
648 . 2 1 56 56 LEU HD13 H 1 0.470 0.005 . 2 . . . . . . . . 5345 2
649 . 2 1 56 56 LEU CD2 C 13 23.600 0.005 . 1 . . . . . . . . 5345 2
650 . 2 1 56 56 LEU HD21 H 1 0.220 0.005 . 2 . . . . . . . . 5345 2
651 . 2 1 56 56 LEU HD22 H 1 0.220 0.005 . 2 . . . . . . . . 5345 2
652 . 2 1 56 56 LEU HD23 H 1 0.220 0.005 . 2 . . . . . . . . 5345 2
653 . 2 1 56 56 LEU C C 13 177.994 0.005 . 1 . . . . . . . . 5345 2
654 . 2 1 57 57 ALA N N 15 117.197 0.005 . 1 . . . . . . . . 5345 2
655 . 2 1 57 57 ALA H H 1 7.039 0.005 . 1 . . . . . . . . 5345 2
656 . 2 1 57 57 ALA CA C 13 52.982 0.005 . 1 . . . . . . . . 5345 2
657 . 2 1 57 57 ALA HA H 1 4.160 0.005 . 1 . . . . . . . . 5345 2
658 . 2 1 57 57 ALA CB C 13 20.000 0.005 . 1 . . . . . . . . 5345 2
659 . 2 1 57 57 ALA HB1 H 1 1.593 0.005 . 1 . . . . . . . . 5345 2
660 . 2 1 57 57 ALA HB2 H 1 1.593 0.005 . 1 . . . . . . . . 5345 2
661 . 2 1 57 57 ALA HB3 H 1 1.593 0.005 . 1 . . . . . . . . 5345 2
662 . 2 1 57 57 ALA C C 13 178.202 0.005 . 1 . . . . . . . . 5345 2
663 . 2 1 58 58 GLY N N 15 104.624 0.005 . 1 . . . . . . . . 5345 2
664 . 2 1 58 58 GLY H H 1 7.547 0.005 . 1 . . . . . . . . 5345 2
665 . 2 1 58 58 GLY CA C 13 45.698 0.005 . 1 . . . . . . . . 5345 2
666 . 2 1 58 58 GLY HA3 H 1 3.810 0.005 . 2 . . . . . . . . 5345 2
667 . 2 1 58 58 GLY HA2 H 1 4.112 0.005 . 2 . . . . . . . . 5345 2
668 . 2 1 58 58 GLY C C 13 174.735 0.005 . 1 . . . . . . . . 5345 2
669 . 2 1 59 59 LYS N N 15 121.341 0.005 . 1 . . . . . . . . 5345 2
670 . 2 1 59 59 LYS H H 1 7.969 0.005 . 1 . . . . . . . . 5345 2
671 . 2 1 59 59 LYS CA C 13 56.196 0.005 . 1 . . . . . . . . 5345 2
672 . 2 1 59 59 LYS HA H 1 4.300 0.005 . 1 . . . . . . . . 5345 2
673 . 2 1 59 59 LYS CB C 13 32.600 0.005 . 1 . . . . . . . . 5345 2
674 . 2 1 59 59 LYS HB3 H 1 1.578 0.005 . 2 . . . . . . . . 5345 2
675 . 2 1 59 59 LYS HB2 H 1 1.727 0.005 . 2 . . . . . . . . 5345 2
676 . 2 1 59 59 LYS CG C 13 24.300 0.005 . 1 . . . . . . . . 5345 2
677 . 2 1 59 59 LYS HG3 H 1 1.403 0.005 . 1 . . . . . . . . 5345 2
678 . 2 1 59 59 LYS HG2 H 1 1.403 0.005 . 1 . . . . . . . . 5345 2
679 . 2 1 59 59 LYS CD C 13 29.500 0.005 . 1 . . . . . . . . 5345 2
680 . 2 1 59 59 LYS HD3 H 1 1.590 0.005 . 1 . . . . . . . . 5345 2
681 . 2 1 59 59 LYS HD2 H 1 1.590 0.005 . 1 . . . . . . . . 5345 2
682 . 2 1 59 59 LYS CE C 13 42.200 0.005 . 1 . . . . . . . . 5345 2
683 . 2 1 59 59 LYS HE3 H 1 2.947 0.005 . 1 . . . . . . . . 5345 2
684 . 2 1 59 59 LYS HE2 H 1 2.947 0.005 . 1 . . . . . . . . 5345 2
685 . 2 1 59 59 LYS C C 13 176.326 0.005 . 1 . . . . . . . . 5345 2
686 . 2 1 60 60 GLN N N 15 122.892 0.005 . 1 . . . . . . . . 5345 2
687 . 2 1 60 60 GLN H H 1 8.365 0.005 . 1 . . . . . . . . 5345 2
688 . 2 1 60 60 GLN CA C 13 55.800 0.005 . 1 . . . . . . . . 5345 2
689 . 2 1 60 60 GLN HA H 1 4.350 0.005 . 1 . . . . . . . . 5345 2
690 . 2 1 60 60 GLN CB C 13 29.800 0.005 . 1 . . . . . . . . 5345 2
691 . 2 1 60 60 GLN HB3 H 1 1.970 0.005 . 2 . . . . . . . . 5345 2
692 . 2 1 60 60 GLN HB2 H 1 2.050 0.005 . 2 . . . . . . . . 5345 2
693 . 2 1 60 60 GLN CG C 13 33.600 0.005 . 1 . . . . . . . . 5345 2
694 . 2 1 60 60 GLN HG3 H 1 2.360 0.005 . 1 . . . . . . . . 5345 2
695 . 2 1 60 60 GLN HG2 H 1 2.360 0.005 . 1 . . . . . . . . 5345 2
696 . 2 1 60 60 GLN NE2 N 15 112.200 0.005 . 1 . . . . . . . . 5345 2
697 . 2 1 60 60 GLN HE21 H 1 6.700 0.005 . 2 . . . . . . . . 5345 2
698 . 2 1 60 60 GLN HE22 H 1 7.400 0.005 . 2 . . . . . . . . 5345 2
699 . 2 1 61 61 SER N N 15 117.700 0.005 . 1 . . . . . . . . 5345 2
700 . 2 1 61 61 SER H H 1 8.228 0.005 . 1 . . . . . . . . 5345 2
701 . 2 1 61 61 SER CA C 13 55.400 0.005 . 1 . . . . . . . . 5345 2
702 . 2 1 61 61 SER HA H 1 4.420 0.005 . 1 . . . . . . . . 5345 2
703 . 2 1 61 61 SER CB C 13 63.700 0.005 . 1 . . . . . . . . 5345 2
704 . 2 1 61 61 SER HB3 H 1 3.750 0.005 . 1 . . . . . . . . 5345 2
705 . 2 1 61 61 SER HB2 H 1 3.750 0.005 . 1 . . . . . . . . 5345 2
706 . 2 1 62 62 LEU N N 15 130.000 0.005 . 1 . . . . . . . . 5345 2
707 . 2 1 62 62 LEU H H 1 7.774 0.005 . 1 . . . . . . . . 5345 2
708 . 2 1 62 62 LEU CA C 13 56.500 0.005 . 1 . . . . . . . . 5345 2
709 . 2 1 62 62 LEU HA H 1 4.130 0.005 . 1 . . . . . . . . 5345 2
710 . 2 1 62 62 LEU CB C 13 43.500 0.005 . 1 . . . . . . . . 5345 2
711 . 2 1 62 62 LEU HB3 H 1 3.740 0.005 . 1 . . . . . . . . 5345 2
712 . 2 1 62 62 LEU HB2 H 1 3.740 0.005 . 1 . . . . . . . . 5345 2
713 . 2 1 62 62 LEU CG C 13 27.200 0.005 . 1 . . . . . . . . 5345 2
714 . 2 1 62 62 LEU HG H 1 1.400 0.005 . 1 . . . . . . . . 5345 2
715 . 2 1 62 62 LEU CD1 C 13 25.200 0.005 . 1 . . . . . . . . 5345 2
716 . 2 1 62 62 LEU HD11 H 1 0.870 0.005 . 2 . . . . . . . . 5345 2
717 . 2 1 62 62 LEU HD12 H 1 0.870 0.005 . 2 . . . . . . . . 5345 2
718 . 2 1 62 62 LEU HD13 H 1 0.870 0.005 . 2 . . . . . . . . 5345 2
719 . 2 1 62 62 LEU CD2 C 13 23.600 0.005 . 1 . . . . . . . . 5345 2
720 . 2 1 62 62 LEU HD21 H 1 0.830 0.005 . 2 . . . . . . . . 5345 2
721 . 2 1 62 62 LEU HD22 H 1 0.830 0.005 . 2 . . . . . . . . 5345 2
722 . 2 1 62 62 LEU HD23 H 1 0.830 0.005 . 2 . . . . . . . . 5345 2
stop_
save_
save_chemical_shift_set_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_3
_Assigned_chem_shift_list.Entry_ID 5345
_Assigned_chem_shift_list.ID 3
_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 . 5345 3
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 . 3 2 1 1 DG H5' H 1 3.622 0.005 . 1 . . . . . . . . 5345 3
2 . 3 2 1 1 DG H5'' H 1 3.622 0.005 . 1 . . . . . . . . 5345 3
3 . 3 2 1 1 DG H4' H 1 4.104 0.005 . 1 . . . . . . . . 5345 3
4 . 3 2 1 1 DG H3' H 1 4.755 0.005 . 1 . . . . . . . . 5345 3
5 . 3 2 1 1 DG H2' H 1 2.328 0.005 . 1 . . . . . . . . 5345 3
6 . 3 2 1 1 DG H2'' H 1 2.577 0.005 . 1 . . . . . . . . 5345 3
7 . 3 2 1 1 DG H1' H 1 5.487 0.005 . 1 . . . . . . . . 5345 3
8 . 3 2 1 1 DG H8 H 1 7.736 0.005 . 1 . . . . . . . . 5345 3
9 . 3 2 2 2 DA H4' H 1 4.400 0.005 . 1 . . . . . . . . 5345 3
10 . 3 2 2 2 DA H3' H 1 5.000 0.005 . 1 . . . . . . . . 5345 3
11 . 3 2 2 2 DA H2' H 1 2.690 0.005 . 1 . . . . . . . . 5345 3
12 . 3 2 2 2 DA H2'' H 1 2.950 0.005 . 1 . . . . . . . . 5345 3
13 . 3 2 2 2 DA H1' H 1 5.940 0.005 . 1 . . . . . . . . 5345 3
14 . 3 2 2 2 DA H8 H 1 8.123 0.005 . 1 . . . . . . . . 5345 3
15 . 3 2 2 2 DA H2 H 1 7.368 0.005 . 1 . . . . . . . . 5345 3
16 . 3 2 3 3 DA H5'' H 1 4.100 0.005 . 1 . . . . . . . . 5345 3
17 . 3 2 3 3 DA H4' H 1 4.478 0.005 . 1 . . . . . . . . 5345 3
18 . 3 2 3 3 DA H3' H 1 5.090 0.005 . 1 . . . . . . . . 5345 3
19 . 3 2 3 3 DA H2' H 1 2.290 0.005 . 1 . . . . . . . . 5345 3
20 . 3 2 3 3 DA H2'' H 1 2.660 0.005 . 1 . . . . . . . . 5345 3
21 . 3 2 3 3 DA H1' H 1 6.160 0.005 . 1 . . . . . . . . 5345 3
22 . 3 2 3 3 DA H8 H 1 8.002 0.005 . 1 . . . . . . . . 5345 3
23 . 3 2 3 3 DA H2 H 1 7.630 0.005 . 1 . . . . . . . . 5345 3
24 . 3 2 4 4 DT H3' H 1 4.920 0.005 . 1 . . . . . . . . 5345 3
25 . 3 2 4 4 DT H2' H 1 1.760 0.005 . 1 . . . . . . . . 5345 3
26 . 3 2 4 4 DT H2'' H 1 2.770 0.005 . 1 . . . . . . . . 5345 3
27 . 3 2 4 4 DT H1' H 1 5.808 0.005 . 1 . . . . . . . . 5345 3
28 . 3 2 4 4 DT H3 H 1 13.820 0.005 . 1 . . . . . . . . 5345 3
29 . 3 2 4 4 DT H71 H 1 0.663 0.005 . 1 . . . . . . . . 5345 3
30 . 3 2 4 4 DT H72 H 1 0.663 0.005 . 1 . . . . . . . . 5345 3
31 . 3 2 4 4 DT H73 H 1 0.663 0.005 . 1 . . . . . . . . 5345 3
32 . 3 2 4 4 DT H6 H 1 6.435 0.005 . 1 . . . . . . . . 5345 3
33 . 3 2 5 5 DT H4' H 1 3.920 0.005 . 1 . . . . . . . . 5345 3
34 . 3 2 5 5 DT H3' H 1 4.810 0.005 . 1 . . . . . . . . 5345 3
35 . 3 2 5 5 DT H2' H 1 2.050 0.005 . 1 . . . . . . . . 5345 3
36 . 3 2 5 5 DT H2'' H 1 2.360 0.005 . 1 . . . . . . . . 5345 3
37 . 3 2 5 5 DT H1' H 1 5.930 0.005 . 1 . . . . . . . . 5345 3
38 . 3 2 5 5 DT H3 H 1 13.610 0.005 . 1 . . . . . . . . 5345 3
39 . 3 2 5 5 DT H71 H 1 1.428 0.005 . 1 . . . . . . . . 5345 3
40 . 3 2 5 5 DT H72 H 1 1.428 0.005 . 1 . . . . . . . . 5345 3
41 . 3 2 5 5 DT H73 H 1 1.428 0.005 . 1 . . . . . . . . 5345 3
42 . 3 2 5 5 DT H6 H 1 7.350 0.005 . 1 . . . . . . . . 5345 3
43 . 3 2 6 6 DG H3' H 1 4.934 0.005 . 1 . . . . . . . . 5345 3
44 . 3 2 6 6 DG H2' H 1 2.240 0.005 . 1 . . . . . . . . 5345 3
45 . 3 2 6 6 DG H2'' H 1 2.700 0.005 . 1 . . . . . . . . 5345 3
46 . 3 2 6 6 DG H1' H 1 5.959 0.005 . 1 . . . . . . . . 5345 3
47 . 3 2 6 6 DG H8 H 1 7.540 0.005 . 1 . . . . . . . . 5345 3
48 . 3 2 6 6 DG H1 H 1 12.105 0.005 . 1 . . . . . . . . 5345 3
49 . 3 2 7 7 DT H4' H 1 4.240 0.005 . 1 . . . . . . . . 5345 3
50 . 3 2 7 7 DT H3' H 1 4.950 0.005 . 1 . . . . . . . . 5345 3
51 . 3 2 7 7 DT H2' H 1 2.090 0.005 . 1 . . . . . . . . 5345 3
52 . 3 2 7 7 DT H2'' H 1 2.410 0.005 . 1 . . . . . . . . 5345 3
53 . 3 2 7 7 DT H1' H 1 5.810 0.005 . 1 . . . . . . . . 5345 3
54 . 3 2 7 7 DT H3 H 1 12.950 0.005 . 1 . . . . . . . . 5345 3
55 . 3 2 7 7 DT H71 H 1 0.689 0.005 . 1 . . . . . . . . 5345 3
56 . 3 2 7 7 DT H72 H 1 0.689 0.005 . 1 . . . . . . . . 5345 3
57 . 3 2 7 7 DT H73 H 1 0.689 0.005 . 1 . . . . . . . . 5345 3
58 . 3 2 7 7 DT H6 H 1 6.967 0.005 . 1 . . . . . . . . 5345 3
59 . 3 2 8 8 DG H3' H 1 4.890 0.005 . 1 . . . . . . . . 5345 3
60 . 3 2 8 8 DG H2' H 1 2.670 0.005 . 1 . . . . . . . . 5345 3
61 . 3 2 8 8 DG H2'' H 1 2.950 0.005 . 1 . . . . . . . . 5345 3
62 . 3 2 8 8 DG H1' H 1 5.987 0.005 . 1 . . . . . . . . 5345 3
63 . 3 2 8 8 DG H8 H 1 7.896 0.005 . 1 . . . . . . . . 5345 3
64 . 3 2 8 8 DG H21 H 1 7.450 0.005 . 1 . . . . . . . . 5345 3
65 . 3 2 8 8 DG H22 H 1 7.450 0.005 . 1 . . . . . . . . 5345 3
66 . 3 2 8 8 DG H1 H 1 12.530 0.005 . 1 . . . . . . . . 5345 3
67 . 3 2 9 9 DA H3' H 1 4.930 0.005 . 1 . . . . . . . . 5345 3
68 . 3 2 9 9 DA H2' H 1 2.290 0.005 . 1 . . . . . . . . 5345 3
69 . 3 2 9 9 DA H2'' H 1 2.710 0.005 . 1 . . . . . . . . 5345 3
70 . 3 2 9 9 DA H1' H 1 5.840 0.005 . 1 . . . . . . . . 5345 3
71 . 3 2 9 9 DA H8 H 1 7.680 0.005 . 1 . . . . . . . . 5345 3
72 . 3 2 9 9 DA H2 H 1 7.560 0.005 . 1 . . . . . . . . 5345 3
73 . 3 2 10 10 DG H2' H 1 2.250 0.005 . 1 . . . . . . . . 5345 3
74 . 3 2 10 10 DG H2'' H 1 2.250 0.005 . 1 . . . . . . . . 5345 3
75 . 3 2 10 10 DG H1' H 1 5.540 0.005 . 1 . . . . . . . . 5345 3
76 . 3 2 10 10 DG H8 H 1 7.320 0.005 . 1 . . . . . . . . 5345 3
77 . 3 2 10 10 DG H1 H 1 13.050 0.005 . 1 . . . . . . . . 5345 3
78 . 3 2 11 11 DC H4' H 1 3.901 0.005 . 1 . . . . . . . . 5345 3
79 . 3 2 11 11 DC H3' H 1 4.810 0.005 . 1 . . . . . . . . 5345 3
80 . 3 2 11 11 DC H2' H 1 1.190 0.005 . 1 . . . . . . . . 5345 3
81 . 3 2 11 11 DC H2'' H 1 2.170 0.005 . 1 . . . . . . . . 5345 3
82 . 3 2 11 11 DC H1' H 1 6.317 0.005 . 1 . . . . . . . . 5345 3
83 . 3 2 11 11 DC H41 H 1 5.500 0.005 . 2 . . . . . . . . 5345 3
84 . 3 2 11 11 DC H42 H 1 8.060 0.005 . 2 . . . . . . . . 5345 3
85 . 3 2 11 11 DC H5 H 1 5.355 0.005 . 1 . . . . . . . . 5345 3
86 . 3 2 11 11 DC H6 H 1 6.740 0.005 . 1 . . . . . . . . 5345 3
87 . 3 2 12 12 DG H4' H 1 3.970 0.005 . 1 . . . . . . . . 5345 3
88 . 3 2 12 12 DG H3' H 1 4.960 0.005 . 1 . . . . . . . . 5345 3
89 . 3 2 12 12 DG H2' H 1 2.150 0.005 . 1 . . . . . . . . 5345 3
90 . 3 2 12 12 DG H2'' H 1 2.500 0.005 . 1 . . . . . . . . 5345 3
91 . 3 2 12 12 DG H1' H 1 6.140 0.005 . 1 . . . . . . . . 5345 3
92 . 3 2 12 12 DG H8 H 1 8.180 0.005 . 1 . . . . . . . . 5345 3
93 . 3 2 12 12 DG H21 H 1 5.350 0.005 . 2 . . . . . . . . 5345 3
94 . 3 2 12 12 DG H22 H 1 8.060 0.005 . 2 . . . . . . . . 5345 3
95 . 3 2 12 12 DG H1 H 1 13.050 0.005 . 1 . . . . . . . . 5345 3
96 . 3 2 13 13 DG H5' H 1 3.950 0.005 . 1 . . . . . . . . 5345 3
97 . 3 2 13 13 DG H5'' H 1 4.050 0.005 . 1 . . . . . . . . 5345 3
98 . 3 2 13 13 DG H4' H 1 4.040 0.005 . 1 . . . . . . . . 5345 3
99 . 3 2 13 13 DG H3' H 1 4.812 0.005 . 1 . . . . . . . . 5345 3
100 . 3 2 13 13 DG H2' H 1 2.070 0.005 . 1 . . . . . . . . 5345 3
101 . 3 2 13 13 DG H2'' H 1 2.380 0.005 . 1 . . . . . . . . 5345 3
102 . 3 2 13 13 DG H1' H 1 5.580 0.005 . 1 . . . . . . . . 5345 3
103 . 3 2 13 13 DG H8 H 1 8.050 0.005 . 1 . . . . . . . . 5345 3
104 . 3 2 13 13 DG H21 H 1 5.210 0.005 . 2 . . . . . . . . 5345 3
105 . 3 2 13 13 DG H22 H 1 8.150 0.005 . 2 . . . . . . . . 5345 3
106 . 3 2 13 13 DG H1 H 1 13.350 0.005 . 1 . . . . . . . . 5345 3
107 . 3 2 14 14 DA H5' H 1 3.750 0.005 . 1 . . . . . . . . 5345 3
108 . 3 2 14 14 DA H5'' H 1 3.566 0.005 . 1 . . . . . . . . 5345 3
109 . 3 2 14 14 DA H4' H 1 4.140 0.005 . 1 . . . . . . . . 5345 3
110 . 3 2 14 14 DA H3' H 1 4.830 0.005 . 1 . . . . . . . . 5345 3
111 . 3 2 14 14 DA H2' H 1 2.198 0.005 . 1 . . . . . . . . 5345 3
112 . 3 2 14 14 DA H2'' H 1 2.914 0.005 . 1 . . . . . . . . 5345 3
113 . 3 2 14 14 DA H1' H 1 6.170 0.005 . 1 . . . . . . . . 5345 3
114 . 3 2 14 14 DA H8 H 1 8.181 0.005 . 1 . . . . . . . . 5345 3
115 . 3 2 14 14 DA H2 H 1 7.300 0.005 . 1 . . . . . . . . 5345 3
116 . 3 2 15 15 DT H3' H 1 4.950 0.005 . 1 . . . . . . . . 5345 3
117 . 3 2 15 15 DT H2' H 1 2.036 0.005 . 1 . . . . . . . . 5345 3
118 . 3 2 15 15 DT H2'' H 1 2.362 0.005 . 1 . . . . . . . . 5345 3
119 . 3 2 15 15 DT H1' H 1 5.630 0.005 . 1 . . . . . . . . 5345 3
120 . 3 2 15 15 DT H3 H 1 4.791 0.005 . 1 . . . . . . . . 5345 3
121 . 3 2 15 15 DT H71 H 1 1.282 0.005 . 1 . . . . . . . . 5345 3
122 . 3 2 15 15 DT H72 H 1 1.282 0.005 . 1 . . . . . . . . 5345 3
123 . 3 2 15 15 DT H73 H 1 1.282 0.005 . 1 . . . . . . . . 5345 3
124 . 3 2 15 15 DT H6 H 1 6.937 0.005 . 1 . . . . . . . . 5345 3
125 . 3 2 16 16 DA H4' H 1 4.450 0.005 . 1 . . . . . . . . 5345 3
126 . 3 2 16 16 DA H3' H 1 4.880 0.005 . 1 . . . . . . . . 5345 3
127 . 3 2 16 16 DA H2' H 1 2.680 0.005 . 1 . . . . . . . . 5345 3
128 . 3 2 16 16 DA H2'' H 1 2.850 0.005 . 1 . . . . . . . . 5345 3
129 . 3 2 16 16 DA H1' H 1 6.140 0.005 . 1 . . . . . . . . 5345 3
130 . 3 2 16 16 DA H8 H 1 7.920 0.005 . 1 . . . . . . . . 5345 3
131 . 3 2 16 16 DA H2 H 1 7.580 0.005 . 1 . . . . . . . . 5345 3
132 . 3 2 17 17 DA H3' H 1 4.860 0.005 . 1 . . . . . . . . 5345 3
133 . 3 2 17 17 DA H2' H 1 2.550 0.005 . 1 . . . . . . . . 5345 3
134 . 3 2 17 17 DA H2'' H 1 2.960 0.005 . 1 . . . . . . . . 5345 3
135 . 3 2 17 17 DA H1' H 1 6.230 0.005 . 1 . . . . . . . . 5345 3
136 . 3 2 17 17 DA H8 H 1 7.950 0.005 . 1 . . . . . . . . 5345 3
137 . 3 2 17 17 DA H2 H 1 7.340 0.005 . 1 . . . . . . . . 5345 3
138 . 3 2 18 18 DC H3' H 1 4.790 0.005 . 1 . . . . . . . . 5345 3
139 . 3 2 18 18 DC H2' H 1 2.140 0.005 . 1 . . . . . . . . 5345 3
140 . 3 2 18 18 DC H2'' H 1 2.350 0.005 . 1 . . . . . . . . 5345 3
141 . 3 2 18 18 DC H1' H 1 5.950 0.005 . 1 . . . . . . . . 5345 3
142 . 3 2 18 18 DC H5 H 1 5.460 0.005 . 1 . . . . . . . . 5345 3
143 . 3 2 18 18 DC H6 H 1 7.450 0.005 . 1 . . . . . . . . 5345 3
144 . 3 2 19 19 DA H3' H 1 4.980 0.005 . 1 . . . . . . . . 5345 3
145 . 3 2 19 19 DA H2' H 1 2.340 0.005 . 1 . . . . . . . . 5345 3
146 . 3 2 19 19 DA H2'' H 1 2.880 0.005 . 1 . . . . . . . . 5345 3
147 . 3 2 19 19 DA H1' H 1 6.210 0.005 . 1 . . . . . . . . 5345 3
148 . 3 2 19 19 DA H8 H 1 7.910 0.005 . 1 . . . . . . . . 5345 3
149 . 3 2 20 20 DA H3' H 1 4.940 0.005 . 1 . . . . . . . . 5345 3
150 . 3 2 20 20 DA H2' H 1 2.555 0.005 . 1 . . . . . . . . 5345 3
151 . 3 2 20 20 DA H2'' H 1 2.883 0.005 . 1 . . . . . . . . 5345 3
152 . 3 2 20 20 DA H1' H 1 6.194 0.005 . 1 . . . . . . . . 5345 3
153 . 3 2 20 20 DA H8 H 1 8.090 0.005 . 1 . . . . . . . . 5345 3
154 . 3 2 21 21 DT H2' H 1 2.025 0.005 . 1 . . . . . . . . 5345 3
155 . 3 2 21 21 DT H2'' H 1 2.526 0.005 . 1 . . . . . . . . 5345 3
156 . 3 2 21 21 DT H1' H 1 5.850 0.005 . 1 . . . . . . . . 5345 3
157 . 3 2 21 21 DT H71 H 1 1.252 0.005 . 1 . . . . . . . . 5345 3
158 . 3 2 21 21 DT H72 H 1 1.252 0.005 . 1 . . . . . . . . 5345 3
159 . 3 2 21 21 DT H73 H 1 1.252 0.005 . 1 . . . . . . . . 5345 3
160 . 3 2 21 21 DT H6 H 1 7.140 0.005 . 1 . . . . . . . . 5345 3
161 . 3 2 22 22 DT H4' H 1 4.150 0.005 . 1 . . . . . . . . 5345 3
162 . 3 2 22 22 DT H3' H 1 4.810 0.005 . 1 . . . . . . . . 5345 3
163 . 3 2 22 22 DT H2' H 1 2.220 0.005 . 1 . . . . . . . . 5345 3
164 . 3 2 22 22 DT H2'' H 1 2.460 0.005 . 1 . . . . . . . . 5345 3
165 . 3 2 22 22 DT H1' H 1 6.190 0.005 . 1 . . . . . . . . 5345 3
166 . 3 2 22 22 DT H71 H 1 1.608 0.005 . 1 . . . . . . . . 5345 3
167 . 3 2 22 22 DT H72 H 1 1.608 0.005 . 1 . . . . . . . . 5345 3
168 . 3 2 22 22 DT H73 H 1 1.608 0.005 . 1 . . . . . . . . 5345 3
169 . 3 2 22 22 DT H6 H 1 7.432 0.005 . 1 . . . . . . . . 5345 3
170 . 3 2 23 23 DT H2' H 1 2.220 0.005 . 1 . . . . . . . . 5345 3
171 . 3 2 23 23 DT H2'' H 1 2.220 0.005 . 1 . . . . . . . . 5345 3
172 . 3 2 23 23 DT H1' H 1 6.040 0.005 . 1 . . . . . . . . 5345 3
stop_
save_
save_chemical_shift_set_4
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_4
_Assigned_chem_shift_list.Entry_ID 5345
_Assigned_chem_shift_list.ID 4
_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 . 5345 4
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 . 4 3 1 1 DA H3' H 1 4.920 0.005 . 1 . . . . . . . . 5345 4
2 . 4 3 1 1 DA H2' H 1 2.450 0.005 . 1 . . . . . . . . 5345 4
3 . 4 3 1 1 DA H2'' H 1 2.580 0.005 . 1 . . . . . . . . 5345 4
4 . 4 3 1 1 DA H1' H 1 5.790 0.005 . 1 . . . . . . . . 5345 4
5 . 4 3 1 1 DA H8 H 1 7.820 0.005 . 1 . . . . . . . . 5345 4
6 . 4 3 2 2 DA H3' H 1 6.040 0.005 . 1 . . . . . . . . 5345 4
7 . 4 3 2 2 DA H2' H 1 2.700 0.005 . 1 . . . . . . . . 5345 4
8 . 4 3 2 2 DA H2'' H 1 3.050 0.005 . 1 . . . . . . . . 5345 4
9 . 4 3 2 2 DA H1' H 1 5.820 0.005 . 1 . . . . . . . . 5345 4
10 . 4 3 2 2 DA H8 H 1 8.180 0.005 . 1 . . . . . . . . 5345 4
11 . 4 3 3 3 DA H3' H 1 4.970 0.005 . 1 . . . . . . . . 5345 4
12 . 4 3 3 3 DA H2' H 1 2.275 0.005 . 1 . . . . . . . . 5345 4
13 . 4 3 3 3 DA H2'' H 1 2.662 0.005 . 1 . . . . . . . . 5345 4
14 . 4 3 3 3 DA H1' H 1 6.167 0.005 . 1 . . . . . . . . 5345 4
15 . 4 3 3 3 DA H8 H 1 8.016 0.005 . 1 . . . . . . . . 5345 4
16 . 4 3 4 4 DT H4' H 1 4.160 0.005 . 1 . . . . . . . . 5345 4
17 . 4 3 4 4 DT H3' H 1 4.817 0.005 . 1 . . . . . . . . 5345 4
18 . 4 3 4 4 DT H2' H 1 1.820 0.005 . 1 . . . . . . . . 5345 4
19 . 4 3 4 4 DT H2'' H 1 2.650 0.005 . 1 . . . . . . . . 5345 4
20 . 4 3 4 4 DT H1' H 1 5.800 0.005 . 1 . . . . . . . . 5345 4
21 . 4 3 4 4 DT H3 H 1 13.860 0.005 . 1 . . . . . . . . 5345 4
22 . 4 3 4 4 DT H71 H 1 0.810 0.005 . 1 . . . . . . . . 5345 4
23 . 4 3 4 4 DT H72 H 1 0.810 0.005 . 1 . . . . . . . . 5345 4
24 . 4 3 4 4 DT H73 H 1 0.810 0.005 . 1 . . . . . . . . 5345 4
25 . 4 3 4 4 DT H6 H 1 6.456 0.005 . 1 . . . . . . . . 5345 4
26 . 4 3 5 5 DT H3' H 1 4.720 0.005 . 1 . . . . . . . . 5345 4
27 . 4 3 5 5 DT H2' H 1 2.110 0.005 . 1 . . . . . . . . 5345 4
28 . 4 3 5 5 DT H2'' H 1 2.420 0.005 . 1 . . . . . . . . 5345 4
29 . 4 3 5 5 DT H1' H 1 5.953 0.005 . 1 . . . . . . . . 5345 4
30 . 4 3 5 5 DT H3 H 1 13.570 0.005 . 1 . . . . . . . . 5345 4
31 . 4 3 5 5 DT H71 H 1 1.442 0.005 . 1 . . . . . . . . 5345 4
32 . 4 3 5 5 DT H72 H 1 1.442 0.005 . 1 . . . . . . . . 5345 4
33 . 4 3 5 5 DT H73 H 1 1.442 0.005 . 1 . . . . . . . . 5345 4
34 . 4 3 5 5 DT H6 H 1 7.531 0.005 . 1 . . . . . . . . 5345 4
35 . 4 3 6 6 DG H3' H 1 4.910 0.005 . 1 . . . . . . . . 5345 4
36 . 4 3 6 6 DG H2' H 1 2.324 0.005 . 1 . . . . . . . . 5345 4
37 . 4 3 6 6 DG H2'' H 1 2.813 0.005 . 1 . . . . . . . . 5345 4
38 . 4 3 6 6 DG H1' H 1 5.830 0.005 . 1 . . . . . . . . 5345 4
39 . 4 3 6 6 DG H8 H 1 7.290 0.005 . 1 . . . . . . . . 5345 4
40 . 4 3 6 6 DG H1 H 1 12.200 0.005 . 1 . . . . . . . . 5345 4
41 . 4 3 7 7 DT H3' H 1 4.890 0.005 . 1 . . . . . . . . 5345 4
42 . 4 3 7 7 DT H2' H 1 2.380 0.005 . 1 . . . . . . . . 5345 4
43 . 4 3 7 7 DT H2'' H 1 2.740 0.005 . 1 . . . . . . . . 5345 4
44 . 4 3 7 7 DT H1' H 1 5.920 0.005 . 1 . . . . . . . . 5345 4
45 . 4 3 7 7 DT H3 H 1 13.100 0.005 . 1 . . . . . . . . 5345 4
46 . 4 3 7 7 DT H71 H 1 1.075 0.005 . 1 . . . . . . . . 5345 4
47 . 4 3 7 7 DT H72 H 1 1.075 0.005 . 1 . . . . . . . . 5345 4
48 . 4 3 7 7 DT H73 H 1 1.075 0.005 . 1 . . . . . . . . 5345 4
49 . 4 3 7 7 DT H6 H 1 7.100 0.005 . 1 . . . . . . . . 5345 4
50 . 4 3 8 8 DT H3' H 1 4.980 0.005 . 1 . . . . . . . . 5345 4
51 . 4 3 8 8 DT H2' H 1 1.940 0.005 . 1 . . . . . . . . 5345 4
52 . 4 3 8 8 DT H2'' H 1 2.560 0.005 . 1 . . . . . . . . 5345 4
53 . 4 3 8 8 DT H1' H 1 5.780 0.005 . 1 . . . . . . . . 5345 4
54 . 4 3 8 8 DT H3 H 1 12.830 0.005 . 1 . . . . . . . . 5345 4
55 . 4 3 8 8 DT H71 H 1 1.694 0.005 . 1 . . . . . . . . 5345 4
56 . 4 3 8 8 DT H72 H 1 1.694 0.005 . 1 . . . . . . . . 5345 4
57 . 4 3 8 8 DT H73 H 1 1.694 0.005 . 1 . . . . . . . . 5345 4
58 . 4 3 8 8 DT H6 H 1 7.354 0.005 . 1 . . . . . . . . 5345 4
59 . 4 3 9 9 DA H3' H 1 4.870 0.005 . 1 . . . . . . . . 5345 4
60 . 4 3 9 9 DA H2' H 1 2.513 0.005 . 1 . . . . . . . . 5345 4
61 . 4 3 9 9 DA H2'' H 1 2.814 0.005 . 1 . . . . . . . . 5345 4
62 . 4 3 9 9 DA H1' H 1 6.136 0.005 . 1 . . . . . . . . 5345 4
63 . 4 3 9 9 DA H8 H 1 8.042 0.005 . 1 . . . . . . . . 5345 4
64 . 4 3 9 9 DA H2 H 1 7.530 0.005 . 1 . . . . . . . . 5345 4
65 . 4 3 10 10 DT H4' H 1 4.160 0.005 . 1 . . . . . . . . 5345 4
66 . 4 3 10 10 DT H3' H 1 4.720 0.005 . 1 . . . . . . . . 5345 4
67 . 4 3 10 10 DT H2' H 1 1.940 0.005 . 1 . . . . . . . . 5345 4
68 . 4 3 10 10 DT H2'' H 1 2.240 0.005 . 1 . . . . . . . . 5345 4
69 . 4 3 10 10 DT H1' H 1 5.960 0.005 . 1 . . . . . . . . 5345 4
70 . 4 3 10 10 DT H3 H 1 13.400 0.005 . 1 . . . . . . . . 5345 4
71 . 4 3 10 10 DT H71 H 1 1.309 0.005 . 1 . . . . . . . . 5345 4
72 . 4 3 10 10 DT H72 H 1 1.309 0.005 . 1 . . . . . . . . 5345 4
73 . 4 3 10 10 DT H73 H 1 1.309 0.005 . 1 . . . . . . . . 5345 4
74 . 4 3 10 10 DT H6 H 1 7.086 0.005 . 1 . . . . . . . . 5345 4
75 . 4 3 11 11 DC H2' H 1 1.720 0.005 . 1 . . . . . . . . 5345 4
76 . 4 3 11 11 DC H2'' H 1 1.970 0.005 . 1 . . . . . . . . 5345 4
77 . 4 3 11 11 DC H1' H 1 6.050 0.005 . 1 . . . . . . . . 5345 4
78 . 4 3 11 11 DC H41 H 1 5.430 0.005 . 2 . . . . . . . . 5345 4
79 . 4 3 11 11 DC H42 H 1 6.890 0.005 . 2 . . . . . . . . 5345 4
80 . 4 3 11 11 DC H5 H 1 5.350 0.005 . 1 . . . . . . . . 5345 4
81 . 4 3 11 11 DC H6 H 1 6.780 0.005 . 1 . . . . . . . . 5345 4
82 . 4 3 12 12 DC H5' H 1 4.180 0.005 . 1 . . . . . . . . 5345 4
83 . 4 3 12 12 DC H5'' H 1 4.180 0.005 . 1 . . . . . . . . 5345 4
84 . 4 3 12 12 DC H4' H 1 3.975 0.005 . 1 . . . . . . . . 5345 4
85 . 4 3 12 12 DC H3' H 1 4.736 0.005 . 1 . . . . . . . . 5345 4
86 . 4 3 12 12 DC H2' H 1 1.020 0.005 . 1 . . . . . . . . 5345 4
87 . 4 3 12 12 DC H2'' H 1 1.930 0.005 . 1 . . . . . . . . 5345 4
88 . 4 3 12 12 DC H1' H 1 6.200 0.005 . 1 . . . . . . . . 5345 4
89 . 4 3 12 12 DC H41 H 1 5.550 0.005 . 2 . . . . . . . . 5345 4
90 . 4 3 12 12 DC H42 H 1 7.950 0.005 . 2 . . . . . . . . 5345 4
91 . 4 3 12 12 DC H5 H 1 5.426 0.005 . 1 . . . . . . . . 5345 4
92 . 4 3 12 12 DC H6 H 1 6.735 0.005 . 1 . . . . . . . . 5345 4
93 . 4 3 13 13 DG H4' H 1 4.120 0.005 . 1 . . . . . . . . 5345 4
94 . 4 3 13 13 DG H3' H 1 4.865 0.005 . 1 . . . . . . . . 5345 4
95 . 4 3 13 13 DG H2' H 1 2.110 0.005 . 1 . . . . . . . . 5345 4
96 . 4 3 13 13 DG H2'' H 1 2.810 0.005 . 1 . . . . . . . . 5345 4
97 . 4 3 13 13 DG H1' H 1 5.850 0.005 . 1 . . . . . . . . 5345 4
98 . 4 3 13 13 DG H8 H 1 8.062 0.005 . 1 . . . . . . . . 5345 4
99 . 4 3 13 13 DG H21 H 1 5.260 0.005 . 2 . . . . . . . . 5345 4
100 . 4 3 13 13 DG H22 H 1 8.100 0.005 . 2 . . . . . . . . 5345 4
101 . 4 3 13 13 DG H1 H 1 13.270 0.005 . 1 . . . . . . . . 5345 4
102 . 4 3 14 14 DC H5' H 1 3.980 0.005 . 1 . . . . . . . . 5345 4
103 . 4 3 14 14 DC H5'' H 1 3.980 0.005 . 1 . . . . . . . . 5345 4
104 . 4 3 14 14 DC H4' H 1 3.656 0.005 . 1 . . . . . . . . 5345 4
105 . 4 3 14 14 DC H3' H 1 4.104 0.005 . 1 . . . . . . . . 5345 4
106 . 4 3 14 14 DC H2' H 1 2.000 0.005 . 1 . . . . . . . . 5345 4
107 . 4 3 14 14 DC H2'' H 1 2.120 0.005 . 1 . . . . . . . . 5345 4
108 . 4 3 14 14 DC H1' H 1 5.486 0.005 . 1 . . . . . . . . 5345 4
109 . 4 3 14 14 DC H41 H 1 6.040 0.005 . 2 . . . . . . . . 5345 4
110 . 4 3 14 14 DC H42 H 1 7.890 0.005 . 2 . . . . . . . . 5345 4
111 . 4 3 14 14 DC H5 H 1 4.860 0.005 . 1 . . . . . . . . 5345 4
112 . 4 3 14 14 DC H6 H 1 6.910 0.005 . 1 . . . . . . . . 5345 4
113 . 4 3 15 15 DT H5' H 1 4.020 0.005 . 1 . . . . . . . . 5345 4
114 . 4 3 15 15 DT H5'' H 1 4.020 0.005 . 1 . . . . . . . . 5345 4
115 . 4 3 15 15 DT H4' H 1 3.800 0.005 . 1 . . . . . . . . 5345 4
116 . 4 3 15 15 DT H3' H 1 4.790 0.005 . 1 . . . . . . . . 5345 4
117 . 4 3 15 15 DT H2' H 1 2.080 0.005 . 1 . . . . . . . . 5345 4
118 . 4 3 15 15 DT H2'' H 1 2.610 0.005 . 1 . . . . . . . . 5345 4
119 . 4 3 15 15 DT H1' H 1 5.960 0.005 . 1 . . . . . . . . 5345 4
120 . 4 3 15 15 DT H3 H 1 13.250 0.005 . 1 . . . . . . . . 5345 4
121 . 4 3 15 15 DT H71 H 1 1.553 0.005 . 1 . . . . . . . . 5345 4
122 . 4 3 15 15 DT H72 H 1 1.553 0.005 . 1 . . . . . . . . 5345 4
123 . 4 3 15 15 DT H73 H 1 1.553 0.005 . 1 . . . . . . . . 5345 4
124 . 4 3 15 15 DT H6 H 1 7.350 0.005 . 1 . . . . . . . . 5345 4
125 . 4 3 16 16 DC H4' H 1 4.050 0.005 . 1 . . . . . . . . 5345 4
126 . 4 3 16 16 DC H3' H 1 4.760 0.005 . 1 . . . . . . . . 5345 4
127 . 4 3 16 16 DC H2' H 1 1.450 0.005 . 1 . . . . . . . . 5345 4
128 . 4 3 16 16 DC H2'' H 1 2.100 0.005 . 1 . . . . . . . . 5345 4
129 . 4 3 16 16 DC H1' H 1 5.760 0.005 . 1 . . . . . . . . 5345 4
130 . 4 3 16 16 DC H41 H 1 6.540 0.005 . 2 . . . . . . . . 5345 4
131 . 4 3 16 16 DC H42 H 1 8.340 0.005 . 2 . . . . . . . . 5345 4
132 . 4 3 16 16 DC H5 H 1 5.790 0.005 . 1 . . . . . . . . 5345 4
133 . 4 3 16 16 DC H6 H 1 7.320 0.005 . 1 . . . . . . . . 5345 4
134 . 4 3 17 17 DA H4' H 1 4.290 0.005 . 1 . . . . . . . . 5345 4
135 . 4 3 17 17 DA H3' H 1 4.960 0.005 . 1 . . . . . . . . 5345 4
136 . 4 3 17 17 DA H2' H 1 2.590 0.005 . 1 . . . . . . . . 5345 4
137 . 4 3 17 17 DA H2'' H 1 2.810 0.005 . 1 . . . . . . . . 5345 4
138 . 4 3 17 17 DA H1' H 1 6.170 0.005 . 1 . . . . . . . . 5345 4
139 . 4 3 17 17 DA H8 H 1 8.140 0.005 . 1 . . . . . . . . 5345 4
140 . 4 3 17 17 DA H2 H 1 7.580 0.005 . 1 . . . . . . . . 5345 4
141 . 4 3 18 18 DC H4' H 1 4.030 0.005 . 1 . . . . . . . . 5345 4
142 . 4 3 18 18 DC H3' H 1 4.780 0.005 . 1 . . . . . . . . 5345 4
143 . 4 3 18 18 DC H2' H 1 1.980 0.005 . 1 . . . . . . . . 5345 4
144 . 4 3 18 18 DC H2'' H 1 2.310 0.005 . 1 . . . . . . . . 5345 4
145 . 4 3 18 18 DC H1' H 1 5.280 0.005 . 1 . . . . . . . . 5345 4
146 . 4 3 18 18 DC H41 H 1 6.410 0.005 . 2 . . . . . . . . 5345 4
147 . 4 3 18 18 DC H42 H 1 7.770 0.005 . 2 . . . . . . . . 5345 4
148 . 4 3 18 18 DC H5 H 1 5.350 0.005 . 1 . . . . . . . . 5345 4
149 . 4 3 18 18 DC H6 H 1 7.350 0.005 . 1 . . . . . . . . 5345 4
150 . 4 3 19 19 DA H4' H 1 4.280 0.005 . 1 . . . . . . . . 5345 4
151 . 4 3 19 19 DA H3' H 1 4.990 0.005 . 1 . . . . . . . . 5345 4
152 . 4 3 19 19 DA H2' H 1 2.620 0.005 . 1 . . . . . . . . 5345 4
153 . 4 3 19 19 DA H2'' H 1 2.980 0.005 . 1 . . . . . . . . 5345 4
154 . 4 3 19 19 DA H1' H 1 5.910 0.005 . 1 . . . . . . . . 5345 4
155 . 4 3 19 19 DA H8 H 1 8.070 0.005 . 1 . . . . . . . . 5345 4
156 . 4 3 19 19 DA H2 H 1 6.520 0.005 . 1 . . . . . . . . 5345 4
157 . 4 3 20 20 DA H4' H 1 4.240 0.005 . 1 . . . . . . . . 5345 4
158 . 4 3 20 20 DA H3' H 1 4.920 0.005 . 1 . . . . . . . . 5345 4
159 . 4 3 20 20 DA H2' H 1 2.430 0.005 . 1 . . . . . . . . 5345 4
160 . 4 3 20 20 DA H2'' H 1 2.920 0.005 . 1 . . . . . . . . 5345 4
161 . 4 3 20 20 DA H1' H 1 6.130 0.005 . 1 . . . . . . . . 5345 4
162 . 4 3 20 20 DA H8 H 1 8.008 0.005 . 1 . . . . . . . . 5345 4
163 . 4 3 20 20 DA H2 H 1 7.450 0.005 . 1 . . . . . . . . 5345 4
164 . 4 3 21 21 DT H4' H 1 4.190 0.005 . 1 . . . . . . . . 5345 4
165 . 4 3 21 21 DT H3' H 1 4.840 0.005 . 1 . . . . . . . . 5345 4
166 . 4 3 21 21 DT H2' H 1 1.940 0.005 . 1 . . . . . . . . 5345 4
167 . 4 3 21 21 DT H2'' H 1 2.470 0.005 . 1 . . . . . . . . 5345 4
168 . 4 3 21 21 DT H1' H 1 5.830 0.005 . 1 . . . . . . . . 5345 4
169 . 4 3 21 21 DT H3 H 1 13.670 0.005 . 1 . . . . . . . . 5345 4
170 . 4 3 21 21 DT H71 H 1 1.219 0.005 . 1 . . . . . . . . 5345 4
171 . 4 3 21 21 DT H72 H 1 1.219 0.005 . 1 . . . . . . . . 5345 4
172 . 4 3 21 21 DT H73 H 1 1.219 0.005 . 1 . . . . . . . . 5345 4
173 . 4 3 21 21 DT H6 H 1 7.096 0.005 . 1 . . . . . . . . 5345 4
174 . 4 3 22 22 DT H2' H 1 2.140 0.005 . 1 . . . . . . . . 5345 4
175 . 4 3 22 22 DT H2'' H 1 2.510 0.005 . 1 . . . . . . . . 5345 4
176 . 4 3 22 22 DT H1' H 1 6.130 0.005 . 1 . . . . . . . . 5345 4
177 . 4 3 22 22 DT H71 H 1 1.570 0.005 . 1 . . . . . . . . 5345 4
178 . 4 3 22 22 DT H72 H 1 1.570 0.005 . 1 . . . . . . . . 5345 4
179 . 4 3 22 22 DT H73 H 1 1.570 0.005 . 1 . . . . . . . . 5345 4
180 . 4 3 22 22 DT H6 H 1 7.350 0.005 . 1 . . . . . . . . 5345 4
181 . 4 3 23 23 DC H4' H 1 4.030 0.005 . 1 . . . . . . . . 5345 4
182 . 4 3 23 23 DC H2' H 1 2.230 0.005 . 1 . . . . . . . . 5345 4
183 . 4 3 23 23 DC H2'' H 1 2.230 0.005 . 1 . . . . . . . . 5345 4
184 . 4 3 23 23 DC H1' H 1 6.250 0.005 . 1 . . . . . . . . 5345 4
185 . 4 3 23 23 DC H5 H 1 5.780 0.005 . 1 . . . . . . . . 5345 4
186 . 4 3 23 23 DC H6 H 1 7.620 0.005 . 1 . . . . . . . . 5345 4
stop_
save_