data_16922
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16922
_Entry.Title
;
Backbone structure of the membrane domain of E. coli histidine kinase receptor KdpD
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-05-11
_Entry.Accession_date 2010-05-11
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.13
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Innokentiy Maslennikov . . . 16922
2 Christian Klammt . . . 16922
3 Georgia Kefala . . . 16922
4 Mizuki Okamura . . . 16922
5 Luis Esquivies . . . 16922
6 Witek Kwiatkowski . . . 16922
7 Senyon Choe . . . 16922
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
. 'PSI, Protein Structure Initiative' 'Center for Structures of Membrane Proteins' . 16922
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'cell-free synthesis' . 16922
'four-helical bundle' . 16922
'Histidine kinase receptor' . 16922
'membrane domain' . 16922
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 16922
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 257 16922
'15N chemical shifts' 102 16922
'1H chemical shifts' 102 16922
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 . . 2010-07-09 2010-05-11 update BMRB 'complete entry citation' 16922
1 . . 2010-06-15 2010-05-11 original author 'original release' 16922
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2KSF 'BMRB Entry Tracking System' 16922
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 16922
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 20498088
_Citation.Full_citation .
_Citation.Title 'Membrane domain structures of three classes of histidine kinase receptors by cell-free expression and rapid NMR analysis.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.'
_Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America'
_Citation.Journal_volume 107
_Citation.Journal_issue 24
_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 10902
_Citation.Page_last 10907
_Citation.Year 2010
_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 Innokentiy Maslennikov . . . 16922 1
2 Christian Klammt . . . 16922 1
3 Eunha Hwang . . . 16922 1
4 Georgia Kefala . . . 16922 1
5 Mizuki Okamura . . . 16922 1
6 Luis Esquivies . . . 16922 1
7 Karsten Mors . . . 16922 1
8 Clemens Glaubitz . . . 16922 1
9 Witek Kwiatkowski . . . 16922 1
10 'Young Ho' Jeon . . . 16922 1
11 Senyon Choe . . . 16922 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 16922
_Assembly.ID 1
_Assembly.Name 'histidine kinase receptor KdpD'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'histidine kinase receptor KdpD' 1 $entity A . yes native no no . . . 16922 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity
_Entity.Sf_category entity
_Entity.Sf_framecode entity
_Entity.Entry_ID 16922
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'histidine kinase receptor KdpD'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MVQIQGSVVAAALSAVITLI
AMQWLMAFDAANLVMLYLLG
VVVVALFYGRWPSVVATVIN
VVSFDLFFIAPRGTLAVSDV
QYLLTFAVMLTVGLVIGNLT
AGVRYQA
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 107
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment KdpD(396-502)
_Entity.Mutation
;
Cys402 Ser
Cys409 Ser
;
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 11442.749
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2KSF . "Backbone Structure Of The Membrane Domain Of E. Coli Histidine Kinase Receptor Kdpd, Center For Structures Of Membrane Proteins" . . . . . 100.00 107 100.00 100.00 1.33e-64 . . . . 16922 1
2 no DBJ BAA35352 . "fused sensory histidine kinase in two-component regulatory system with KdpE [Escherichia coli str. K12 substr. W3110]" . . . . . 99.07 894 98.11 98.11 1.59e-58 . . . . 16922 1
3 no DBJ BAB34146 . "sensor for high-affinity potassium transport system [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.07 894 98.11 98.11 1.59e-58 . . . . 16922 1
4 no DBJ BAG76279 . "two-component sensor kinase [Escherichia coli SE11]" . . . . . 99.07 894 98.11 98.11 1.19e-58 . . . . 16922 1
5 no DBJ BAI24084 . "fused sensory histidine kinase KdpD in two-component regulatory system with KdpE: signal sensing protein [Escherichia coli O26:" . . . . . 99.07 894 98.11 98.11 1.21e-58 . . . . 16922 1
6 no DBJ BAI29552 . "fused sensory histidine kinase KdpD in two-component regulatory system with KdpE: signal sensing protein [Escherichia coli O103" . . . . . 99.07 894 97.17 98.11 3.42e-58 . . . . 16922 1
7 no EMBL CAP75181 . "Sensor protein kdpD [Escherichia coli LF82]" . . . . . 99.07 894 98.11 98.11 3.52e-58 . . . . 16922 1
8 no EMBL CAQ31160 . "KdpD sensory histidine kinase [Escherichia coli BL21(DE3)]" . . . . . 99.07 894 98.11 98.11 1.21e-58 . . . . 16922 1
9 no EMBL CAQ97539 . "fused sensory histidine kinase in two-component regulatory system with KdpE: signal sensing protein ; sensory histidine kinase " . . . . . 99.07 894 98.11 98.11 1.59e-58 . . . . 16922 1
10 no EMBL CAR06880 . "fused sensory histidine kinase in two-component regulatory system with KdpE: signal sensing protein ; sensory histidine kinase " . . . . . 99.07 894 98.11 98.11 3.52e-58 . . . . 16922 1
11 no EMBL CAR11989 . "fused sensory histidine kinase in two-component regulatory system with KdpE: signal sensing protein ; sensory histidine kinase " . . . . . 99.07 894 98.11 98.11 1.67e-58 . . . . 16922 1
12 no GB AAA24041 . "transmembrane protein (kdpD) [Escherichia coli]" . . . . . 99.07 894 98.11 98.11 1.59e-58 . . . . 16922 1
13 no GB AAC73789 . "fused sensory histidine kinase in two-component regulatory system with KdpE: signal sensing protein [Escherichia coli str. K-12" . . . . . 99.07 894 98.11 98.11 1.59e-58 . . . . 16922 1
14 no GB AAG55016 . "sensor for high-affinity potassium transport system [Escherichia coli O157:H7 str. EDL933]" . . . . . 99.07 894 98.11 98.11 1.59e-58 . . . . 16922 1
15 no GB AAN79253 . "Sensor protein kdpD [Escherichia coli CFT073]" . . . . . 99.07 895 98.11 98.11 1.99e-58 . . . . 16922 1
16 no GB AAZ87404 . "sensor for high-affinity potassium transport system [Shigella sonnei Ss046]" . . . . . 99.07 894 98.11 98.11 1.19e-58 . . . . 16922 1
17 no REF NP_308750 . "sensor protein KdpD [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.07 894 98.11 98.11 1.59e-58 . . . . 16922 1
18 no REF NP_415223 . "fused sensory histidine kinase in two-component regulatory system with KdpE: signal sensing protein [Escherichia coli str. K-12" . . . . . 99.07 894 98.11 98.11 1.59e-58 . . . . 16922 1
19 no REF WP_001295875 . "MULTISPECIES: two-component system sensor histidine kinase KdpD [Enterobacteriaceae]" . . . . . 99.07 894 98.11 98.11 1.67e-58 . . . . 16922 1
20 no REF WP_001297245 . "MULTISPECIES: two-component system sensor histidine kinase KdpD [Enterobacteriaceae]" . . . . . 99.07 894 98.11 98.11 1.21e-58 . . . . 16922 1
21 no REF WP_001298625 . "two-component system sensor histidine kinase KdpD [Escherichia coli]" . . . . . 99.07 894 98.11 98.11 1.70e-58 . . . . 16922 1
22 no SP P21865 . "RecName: Full=Sensor protein KdpD" . . . . . 99.07 894 98.11 98.11 1.59e-58 . . . . 16922 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
1 396 MET . 16922 1
2 397 VAL . 16922 1
3 398 GLN . 16922 1
4 399 ILE . 16922 1
5 400 GLN . 16922 1
6 401 GLY . 16922 1
7 402 SER . 16922 1
8 403 VAL . 16922 1
9 404 VAL . 16922 1
10 405 ALA . 16922 1
11 406 ALA . 16922 1
12 407 ALA . 16922 1
13 408 LEU . 16922 1
14 409 SER . 16922 1
15 410 ALA . 16922 1
16 411 VAL . 16922 1
17 412 ILE . 16922 1
18 413 THR . 16922 1
19 414 LEU . 16922 1
20 415 ILE . 16922 1
21 416 ALA . 16922 1
22 417 MET . 16922 1
23 418 GLN . 16922 1
24 419 TRP . 16922 1
25 420 LEU . 16922 1
26 421 MET . 16922 1
27 422 ALA . 16922 1
28 423 PHE . 16922 1
29 424 ASP . 16922 1
30 425 ALA . 16922 1
31 426 ALA . 16922 1
32 427 ASN . 16922 1
33 428 LEU . 16922 1
34 429 VAL . 16922 1
35 430 MET . 16922 1
36 431 LEU . 16922 1
37 432 TYR . 16922 1
38 433 LEU . 16922 1
39 434 LEU . 16922 1
40 435 GLY . 16922 1
41 436 VAL . 16922 1
42 437 VAL . 16922 1
43 438 VAL . 16922 1
44 439 VAL . 16922 1
45 440 ALA . 16922 1
46 441 LEU . 16922 1
47 442 PHE . 16922 1
48 443 TYR . 16922 1
49 444 GLY . 16922 1
50 445 ARG . 16922 1
51 446 TRP . 16922 1
52 447 PRO . 16922 1
53 448 SER . 16922 1
54 449 VAL . 16922 1
55 450 VAL . 16922 1
56 451 ALA . 16922 1
57 452 THR . 16922 1
58 453 VAL . 16922 1
59 454 ILE . 16922 1
60 455 ASN . 16922 1
61 456 VAL . 16922 1
62 457 VAL . 16922 1
63 458 SER . 16922 1
64 459 PHE . 16922 1
65 460 ASP . 16922 1
66 461 LEU . 16922 1
67 462 PHE . 16922 1
68 463 PHE . 16922 1
69 464 ILE . 16922 1
70 465 ALA . 16922 1
71 466 PRO . 16922 1
72 467 ARG . 16922 1
73 468 GLY . 16922 1
74 469 THR . 16922 1
75 470 LEU . 16922 1
76 471 ALA . 16922 1
77 472 VAL . 16922 1
78 473 SER . 16922 1
79 474 ASP . 16922 1
80 475 VAL . 16922 1
81 476 GLN . 16922 1
82 477 TYR . 16922 1
83 478 LEU . 16922 1
84 479 LEU . 16922 1
85 480 THR . 16922 1
86 481 PHE . 16922 1
87 482 ALA . 16922 1
88 483 VAL . 16922 1
89 484 MET . 16922 1
90 485 LEU . 16922 1
91 486 THR . 16922 1
92 487 VAL . 16922 1
93 488 GLY . 16922 1
94 489 LEU . 16922 1
95 490 VAL . 16922 1
96 491 ILE . 16922 1
97 492 GLY . 16922 1
98 493 ASN . 16922 1
99 494 LEU . 16922 1
100 495 THR . 16922 1
101 496 ALA . 16922 1
102 497 GLY . 16922 1
103 498 VAL . 16922 1
104 499 ARG . 16922 1
105 500 TYR . 16922 1
106 501 GLN . 16922 1
107 502 ALA . 16922 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 16922 1
. VAL 2 2 16922 1
. GLN 3 3 16922 1
. ILE 4 4 16922 1
. GLN 5 5 16922 1
. GLY 6 6 16922 1
. SER 7 7 16922 1
. VAL 8 8 16922 1
. VAL 9 9 16922 1
. ALA 10 10 16922 1
. ALA 11 11 16922 1
. ALA 12 12 16922 1
. LEU 13 13 16922 1
. SER 14 14 16922 1
. ALA 15 15 16922 1
. VAL 16 16 16922 1
. ILE 17 17 16922 1
. THR 18 18 16922 1
. LEU 19 19 16922 1
. ILE 20 20 16922 1
. ALA 21 21 16922 1
. MET 22 22 16922 1
. GLN 23 23 16922 1
. TRP 24 24 16922 1
. LEU 25 25 16922 1
. MET 26 26 16922 1
. ALA 27 27 16922 1
. PHE 28 28 16922 1
. ASP 29 29 16922 1
. ALA 30 30 16922 1
. ALA 31 31 16922 1
. ASN 32 32 16922 1
. LEU 33 33 16922 1
. VAL 34 34 16922 1
. MET 35 35 16922 1
. LEU 36 36 16922 1
. TYR 37 37 16922 1
. LEU 38 38 16922 1
. LEU 39 39 16922 1
. GLY 40 40 16922 1
. VAL 41 41 16922 1
. VAL 42 42 16922 1
. VAL 43 43 16922 1
. VAL 44 44 16922 1
. ALA 45 45 16922 1
. LEU 46 46 16922 1
. PHE 47 47 16922 1
. TYR 48 48 16922 1
. GLY 49 49 16922 1
. ARG 50 50 16922 1
. TRP 51 51 16922 1
. PRO 52 52 16922 1
. SER 53 53 16922 1
. VAL 54 54 16922 1
. VAL 55 55 16922 1
. ALA 56 56 16922 1
. THR 57 57 16922 1
. VAL 58 58 16922 1
. ILE 59 59 16922 1
. ASN 60 60 16922 1
. VAL 61 61 16922 1
. VAL 62 62 16922 1
. SER 63 63 16922 1
. PHE 64 64 16922 1
. ASP 65 65 16922 1
. LEU 66 66 16922 1
. PHE 67 67 16922 1
. PHE 68 68 16922 1
. ILE 69 69 16922 1
. ALA 70 70 16922 1
. PRO 71 71 16922 1
. ARG 72 72 16922 1
. GLY 73 73 16922 1
. THR 74 74 16922 1
. LEU 75 75 16922 1
. ALA 76 76 16922 1
. VAL 77 77 16922 1
. SER 78 78 16922 1
. ASP 79 79 16922 1
. VAL 80 80 16922 1
. GLN 81 81 16922 1
. TYR 82 82 16922 1
. LEU 83 83 16922 1
. LEU 84 84 16922 1
. THR 85 85 16922 1
. PHE 86 86 16922 1
. ALA 87 87 16922 1
. VAL 88 88 16922 1
. MET 89 89 16922 1
. LEU 90 90 16922 1
. THR 91 91 16922 1
. VAL 92 92 16922 1
. GLY 93 93 16922 1
. LEU 94 94 16922 1
. VAL 95 95 16922 1
. ILE 96 96 16922 1
. GLY 97 97 16922 1
. ASN 98 98 16922 1
. LEU 99 99 16922 1
. THR 100 100 16922 1
. ALA 101 101 16922 1
. GLY 102 102 16922 1
. VAL 103 103 16922 1
. ARG 104 104 16922 1
. TYR 105 105 16922 1
. GLN 106 106 16922 1
. ALA 107 107 16922 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 16922
_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 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . kdpD . . . . 16922 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 16922
_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 $entity . 'cell free synthesis' 'E. coli - cell free' . . . . . . . . . . . . . . . . . . . . . pIVEX2.3 . . . . . . 16922 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 16922
_Sample.ID 1
_Sample.Type micelle
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 16922 1
2 Mes-BisTris 'natural abundance' . . . . . . 20 . . mM . . . . 16922 1
3 1-myristoyl-2-hydroxy-sn-glycero-3-[phospho-rac-(1-glycerol)] 'natural abundance' . . . . . . 100 . . mM . . . . 16922 1
4 'histidine kinase receptor KdpD' '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.3 . . mM . . . . 16922 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 16922
_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 . pH 16922 1
pressure 1 . atm 16922 1
temperature 318 . K 16922 1
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 16922
_Software.ID 1
_Software.Name CYANA
_Software.Version 1.0.6
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 16922 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 16922 1
stop_
save_
save_CARA
_Software.Sf_category software
_Software.Sf_framecode CARA
_Software.Entry_ID 16922
_Software.ID 2
_Software.Name CARA
_Software.Version 2K.2
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Keller and Wuthrich' . . 16922 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 16922 2
'peak picking' 16922 2
stop_
save_
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 16922
_Software.ID 3
_Software.Name CNS
_Software.Version 1.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16922 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 16922 3
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 16922
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 700
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 16922
_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 Avance . 700 . . . 16922 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 16922
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16922 1
2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16922 1
3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16922 1
4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16922 1
5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16922 1
6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16922 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 16922
_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
C 13 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . . . . . 16922 1
H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 16922 1
N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . . . . . 16922 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 16922
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 16922 1
2 '3D HNCO' . . . 16922 1
3 '3D HNCA' . . . 16922 1
4 '3D HNCACB' . . . 16922 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $CARA . . 16922 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 1 1 MET C C 13 171.972 0.000 . 1 . . . . 396 MET C . 16922 1
2 . 1 1 1 1 MET CA C 13 54.666 0.000 . 1 . . . . 396 MET CA . 16922 1
3 . 1 1 1 1 MET CB C 13 32.549 0.000 . 1 . . . . 396 MET CB . 16922 1
4 . 1 1 2 2 VAL H H 1 8.034 0.000 . 1 . . . . 397 VAL H . 16922 1
5 . 1 1 2 2 VAL C C 13 173.941 0.000 . 1 . . . . 397 VAL C . 16922 1
6 . 1 1 2 2 VAL CA C 13 61.946 0.000 . 1 . . . . 397 VAL CA . 16922 1
7 . 1 1 2 2 VAL CB C 13 32.043 0.000 . 1 . . . . 397 VAL CB . 16922 1
8 . 1 1 2 2 VAL N N 15 122.148 0.000 . 1 . . . . 397 VAL N . 16922 1
9 . 1 1 3 3 GLN H H 1 8.306 0.000 . 1 . . . . 398 GLN H . 16922 1
10 . 1 1 3 3 GLN C C 13 174.998 0.000 . 1 . . . . 398 GLN C . 16922 1
11 . 1 1 3 3 GLN CA C 13 55.108 0.000 . 1 . . . . 398 GLN CA . 16922 1
12 . 1 1 3 3 GLN CB C 13 28.879 0.000 . 1 . . . . 398 GLN CB . 16922 1
13 . 1 1 3 3 GLN N N 15 124.031 0.000 . 1 . . . . 398 GLN N . 16922 1
14 . 1 1 4 4 ILE H H 1 8.171 0.000 . 1 . . . . 399 ILE H . 16922 1
15 . 1 1 4 4 ILE CA C 13 60.317 0.000 . 1 . . . . 399 ILE CA . 16922 1
16 . 1 1 4 4 ILE CB C 13 38.113 0.000 . 1 . . . . 399 ILE CB . 16922 1
17 . 1 1 4 4 ILE N N 15 123.217 0.000 . 1 . . . . 399 ILE N . 16922 1
18 . 1 1 5 5 GLN H H 1 8.162 0.000 . 1 . . . . 400 GLN H . 16922 1
19 . 1 1 5 5 GLN CA C 13 55.402 0.000 . 1 . . . . 400 GLN CA . 16922 1
20 . 1 1 5 5 GLN CB C 13 28.916 0.000 . 1 . . . . 400 GLN CB . 16922 1
21 . 1 1 5 5 GLN N N 15 124.365 0.000 . 1 . . . . 400 GLN N . 16922 1
22 . 1 1 6 6 GLY H H 1 8.942 0.000 . 1 . . . . 401 GLY H . 16922 1
23 . 1 1 6 6 GLY CA C 13 47.102 0.000 . 1 . . . . 401 GLY CA . 16922 1
24 . 1 1 6 6 GLY N N 15 112.804 0.000 . 1 . . . . 401 GLY N . 16922 1
25 . 1 1 7 7 SER H H 1 8.492 0.000 . 1 . . . . 402 SER H . 16922 1
26 . 1 1 7 7 SER CA C 13 60.141 0.000 . 1 . . . . 402 SER CA . 16922 1
27 . 1 1 7 7 SER CB C 13 62.352 0.000 . 1 . . . . 402 SER CB . 16922 1
28 . 1 1 7 7 SER N N 15 115.734 0.000 . 1 . . . . 402 SER N . 16922 1
29 . 1 1 8 8 VAL H H 1 7.671 0.000 . 1 . . . . 403 VAL H . 16922 1
30 . 1 1 8 8 VAL C C 13 173.053 0.000 . 1 . . . . 403 VAL C . 16922 1
31 . 1 1 8 8 VAL CA C 13 65.144 0.000 . 1 . . . . 403 VAL CA . 16922 1
32 . 1 1 8 8 VAL CB C 13 30.841 0.000 . 1 . . . . 403 VAL CB . 16922 1
33 . 1 1 8 8 VAL N N 15 123.992 0.000 . 1 . . . . 403 VAL N . 16922 1
34 . 1 1 9 9 VAL H H 1 7.564 0.000 . 1 . . . . 404 VAL H . 16922 1
35 . 1 1 9 9 VAL C C 13 174.314 0.000 . 1 . . . . 404 VAL C . 16922 1
36 . 1 1 9 9 VAL CA C 13 66.292 0.000 . 1 . . . . 404 VAL CA . 16922 1
37 . 1 1 9 9 VAL CB C 13 30.525 0.000 . 1 . . . . 404 VAL CB . 16922 1
38 . 1 1 9 9 VAL N N 15 120.074 0.000 . 1 . . . . 404 VAL N . 16922 1
39 . 1 1 10 10 ALA H H 1 8.191 0.000 . 1 . . . . 405 ALA H . 16922 1
40 . 1 1 10 10 ALA CA C 13 55.225 0.000 . 1 . . . . 405 ALA CA . 16922 1
41 . 1 1 10 10 ALA CB C 13 17.553 0.000 . 1 . . . . 405 ALA CB . 16922 1
42 . 1 1 10 10 ALA N N 15 120.980 0.000 . 1 . . . . 405 ALA N . 16922 1
43 . 1 1 11 11 ALA H H 1 7.784 0.000 . 1 . . . . 406 ALA H . 16922 1
44 . 1 1 11 11 ALA C C 13 176.945 0.000 . 1 . . . . 406 ALA C . 16922 1
45 . 1 1 11 11 ALA CA C 13 54.762 0.000 . 1 . . . . 406 ALA CA . 16922 1
46 . 1 1 11 11 ALA CB C 13 17.663 0.000 . 1 . . . . 406 ALA CB . 16922 1
47 . 1 1 11 11 ALA N N 15 120.764 0.000 . 1 . . . . 406 ALA N . 16922 1
48 . 1 1 12 12 ALA H H 1 8.177 0.000 . 1 . . . . 407 ALA H . 16922 1
49 . 1 1 12 12 ALA CA C 13 54.784 0.000 . 1 . . . . 407 ALA CA . 16922 1
50 . 1 1 12 12 ALA N N 15 122.201 0.000 . 1 . . . . 407 ALA N . 16922 1
51 . 1 1 13 13 LEU H H 1 8.367 0.000 . 1 . . . . 408 LEU H . 16922 1
52 . 1 1 13 13 LEU CA C 13 57.677 0.000 . 1 . . . . 408 LEU CA . 16922 1
53 . 1 1 13 13 LEU CB C 13 40.741 0.000 . 1 . . . . 408 LEU CB . 16922 1
54 . 1 1 13 13 LEU N N 15 117.399 0.000 . 1 . . . . 408 LEU N . 16922 1
55 . 1 1 14 14 SER H H 1 8.160 0.000 . 1 . . . . 409 SER H . 16922 1
56 . 1 1 14 14 SER CA C 13 61.730 0.000 . 1 . . . . 409 SER CA . 16922 1
57 . 1 1 14 14 SER CB C 13 62.451 0.000 . 1 . . . . 409 SER CB . 16922 1
58 . 1 1 14 14 SER N N 15 113.434 0.000 . 1 . . . . 409 SER N . 16922 1
59 . 1 1 15 15 ALA H H 1 7.872 0.000 . 1 . . . . 410 ALA H . 16922 1
60 . 1 1 15 15 ALA C C 13 173.562 0.000 . 1 . . . . 410 ALA C . 16922 1
61 . 1 1 15 15 ALA CA C 13 54.902 0.000 . 1 . . . . 410 ALA CA . 16922 1
62 . 1 1 15 15 ALA CB C 13 17.743 0.000 . 1 . . . . 410 ALA CB . 16922 1
63 . 1 1 15 15 ALA N N 15 124.217 0.000 . 1 . . . . 410 ALA N . 16922 1
64 . 1 1 16 16 VAL H H 1 8.043 0.000 . 1 . . . . 411 VAL H . 16922 1
65 . 1 1 16 16 VAL CA C 13 66.175 0.000 . 1 . . . . 411 VAL CA . 16922 1
66 . 1 1 16 16 VAL CB C 13 31.031 0.000 . 1 . . . . 411 VAL CB . 16922 1
67 . 1 1 16 16 VAL N N 15 117.905 0.000 . 1 . . . . 411 VAL N . 16922 1
68 . 1 1 17 17 ILE H H 1 8.272 0.000 . 1 . . . . 412 ILE H . 16922 1
69 . 1 1 17 17 ILE C C 13 177.277 0.000 . 1 . . . . 412 ILE C . 16922 1
70 . 1 1 17 17 ILE CA C 13 64.965 0.000 . 1 . . . . 412 ILE CA . 16922 1
71 . 1 1 17 17 ILE CB C 13 36.409 0.000 . 1 . . . . 412 ILE CB . 16922 1
72 . 1 1 17 17 ILE N N 15 119.651 0.000 . 1 . . . . 412 ILE N . 16922 1
73 . 1 1 18 18 THR H H 1 7.906 0.000 . 1 . . . . 413 THR H . 16922 1
74 . 1 1 18 18 THR C C 13 175.667 0.000 . 1 . . . . 413 THR C . 16922 1
75 . 1 1 18 18 THR CA C 13 66.620 0.000 . 1 . . . . 413 THR CA . 16922 1
76 . 1 1 18 18 THR CB C 13 68.434 0.000 . 1 . . . . 413 THR CB . 16922 1
77 . 1 1 18 18 THR N N 15 115.404 0.000 . 1 . . . . 413 THR N . 16922 1
78 . 1 1 19 19 LEU H H 1 7.781 0.000 . 1 . . . . 414 LEU H . 16922 1
79 . 1 1 19 19 LEU C C 13 178.771 0.000 . 1 . . . . 414 LEU C . 16922 1
80 . 1 1 19 19 LEU CA C 13 57.904 0.000 . 1 . . . . 414 LEU CA . 16922 1
81 . 1 1 19 19 LEU CB C 13 41.534 0.000 . 1 . . . . 414 LEU CB . 16922 1
82 . 1 1 19 19 LEU N N 15 121.958 0.000 . 1 . . . . 414 LEU N . 16922 1
83 . 1 1 20 20 ILE H H 1 8.103 0.000 . 1 . . . . 415 ILE H . 16922 1
84 . 1 1 20 20 ILE C C 13 177.084 0.000 . 1 . . . . 415 ILE C . 16922 1
85 . 1 1 20 20 ILE CA C 13 64.291 0.000 . 1 . . . . 415 ILE CA . 16922 1
86 . 1 1 20 20 ILE CB C 13 37.295 0.000 . 1 . . . . 415 ILE CB . 16922 1
87 . 1 1 20 20 ILE N N 15 117.950 0.000 . 1 . . . . 415 ILE N . 16922 1
88 . 1 1 21 21 ALA H H 1 8.284 0.000 . 1 . . . . 416 ALA H . 16922 1
89 . 1 1 21 21 ALA CA C 13 54.460 0.000 . 1 . . . . 416 ALA CA . 16922 1
90 . 1 1 21 21 ALA CB C 13 17.947 0.000 . 1 . . . . 416 ALA CB . 16922 1
91 . 1 1 21 21 ALA N N 15 122.093 0.000 . 1 . . . . 416 ALA N . 16922 1
92 . 1 1 22 22 MET H H 1 8.108 0.000 . 1 . . . . 417 MET H . 16922 1
93 . 1 1 22 22 MET CA C 13 57.234 0.000 . 1 . . . . 417 MET CA . 16922 1
94 . 1 1 22 22 MET CB C 13 31.763 0.000 . 1 . . . . 417 MET CB . 16922 1
95 . 1 1 22 22 MET N N 15 115.347 0.000 . 1 . . . . 417 MET N . 16922 1
96 . 1 1 23 23 GLN H H 1 8.086 0.000 . 1 . . . . 418 GLN H . 16922 1
97 . 1 1 23 23 GLN CA C 13 57.234 0.000 . 1 . . . . 418 GLN CA . 16922 1
98 . 1 1 23 23 GLN CB C 13 27.551 0.000 . 1 . . . . 418 GLN CB . 16922 1
99 . 1 1 23 23 GLN N N 15 117.468 0.000 . 1 . . . . 418 GLN N . 16922 1
100 . 1 1 24 24 TRP H H 1 8.047 0.000 . 1 . . . . 419 TRP H . 16922 1
101 . 1 1 24 24 TRP CA C 13 59.235 0.000 . 1 . . . . 419 TRP CA . 16922 1
102 . 1 1 24 24 TRP CB C 13 28.816 0.000 . 1 . . . . 419 TRP CB . 16922 1
103 . 1 1 24 24 TRP N N 15 119.936 0.000 . 1 . . . . 419 TRP N . 16922 1
104 . 1 1 25 25 LEU H H 1 7.824 0.000 . 1 . . . . 420 LEU H . 16922 1
105 . 1 1 25 25 LEU CA C 13 56.947 0.000 . 1 . . . . 420 LEU CA . 16922 1
106 . 1 1 25 25 LEU CB C 13 40.902 0.000 . 1 . . . . 420 LEU CB . 16922 1
107 . 1 1 25 25 LEU N N 15 119.063 0.000 . 1 . . . . 420 LEU N . 16922 1
108 . 1 1 26 26 MET H H 1 7.795 0.000 . 1 . . . . 421 MET H . 16922 1
109 . 1 1 26 26 MET C C 13 176.784 0.000 . 1 . . . . 421 MET C . 16922 1
110 . 1 1 26 26 MET CA C 13 56.697 0.000 . 1 . . . . 421 MET CA . 16922 1
111 . 1 1 26 26 MET CB C 13 41.091 0.000 . 1 . . . . 421 MET CB . 16922 1
112 . 1 1 26 26 MET N N 15 116.364 0.000 . 1 . . . . 421 MET N . 16922 1
113 . 1 1 27 27 ALA H H 1 7.715 0.000 . 1 . . . . 422 ALA H . 16922 1
114 . 1 1 27 27 ALA CA C 13 52.750 0.000 . 1 . . . . 422 ALA CA . 16922 1
115 . 1 1 27 27 ALA CB C 13 18.312 0.000 . 1 . . . . 422 ALA CB . 16922 1
116 . 1 1 27 27 ALA N N 15 121.865 0.000 . 1 . . . . 422 ALA N . 16922 1
117 . 1 1 28 28 PHE H H 1 7.801 0.000 . 1 . . . . 423 PHE H . 16922 1
118 . 1 1 28 28 PHE CA C 13 58.116 0.000 . 1 . . . . 423 PHE CA . 16922 1
119 . 1 1 28 28 PHE CB C 13 38.750 0.000 . 1 . . . . 423 PHE CB . 16922 1
120 . 1 1 28 28 PHE N N 15 118.315 0.000 . 1 . . . . 423 PHE N . 16922 1
121 . 1 1 29 29 ASP H H 1 8.012 0.000 . 1 . . . . 424 ASP H . 16922 1
122 . 1 1 29 29 ASP C C 13 175.345 0.000 . 1 . . . . 424 ASP C . 16922 1
123 . 1 1 29 29 ASP CA C 13 53.879 0.000 . 1 . . . . 424 ASP CA . 16922 1
124 . 1 1 29 29 ASP CB C 13 40.459 0.000 . 1 . . . . 424 ASP CB . 16922 1
125 . 1 1 29 29 ASP N N 15 121.442 0.000 . 1 . . . . 424 ASP N . 16922 1
126 . 1 1 30 30 ALA H H 1 8.331 0.000 . 1 . . . . 425 ALA H . 16922 1
127 . 1 1 30 30 ALA C C 13 177.406 0.000 . 1 . . . . 425 ALA C . 16922 1
128 . 1 1 30 30 ALA CA C 13 53.960 0.000 . 1 . . . . 425 ALA CA . 16922 1
129 . 1 1 30 30 ALA CB C 13 17.996 0.000 . 1 . . . . 425 ALA CB . 16922 1
130 . 1 1 30 30 ALA N N 15 124.687 0.000 . 1 . . . . 425 ALA N . 16922 1
131 . 1 1 31 31 ALA H H 1 8.198 0.000 . 1 . . . . 426 ALA H . 16922 1
132 . 1 1 31 31 ALA CA C 13 54.048 0.000 . 1 . . . . 426 ALA CA . 16922 1
133 . 1 1 31 31 ALA CB C 13 17.869 0.000 . 1 . . . . 426 ALA CB . 16922 1
134 . 1 1 31 31 ALA N N 15 120.365 0.000 . 1 . . . . 426 ALA N . 16922 1
135 . 1 1 32 32 ASN H H 1 7.997 0.000 . 1 . . . . 427 ASN H . 16922 1
136 . 1 1 32 32 ASN CA C 13 54.515 0.000 . 1 . . . . 427 ASN CA . 16922 1
137 . 1 1 32 32 ASN CB C 13 38.434 0.000 . 1 . . . . 427 ASN CB . 16922 1
138 . 1 1 32 32 ASN N N 15 116.030 0.000 . 1 . . . . 427 ASN N . 16922 1
139 . 1 1 33 33 LEU H H 1 8.001 0.000 . 1 . . . . 428 LEU H . 16922 1
140 . 1 1 33 33 LEU C C 13 175.660 0.000 . 1 . . . . 428 LEU C . 16922 1
141 . 1 1 33 33 LEU CA C 13 57.609 0.000 . 1 . . . . 428 LEU CA . 16922 1
142 . 1 1 33 33 LEU CB C 13 40.902 0.000 . 1 . . . . 428 LEU CB . 16922 1
143 . 1 1 33 33 LEU N N 15 120.657 0.000 . 1 . . . . 428 LEU N . 16922 1
144 . 1 1 36 36 LEU H H 1 7.823 0.000 . 1 . . . . 431 LEU H . 16922 1
145 . 1 1 36 36 LEU C C 13 178.346 0.000 . 1 . . . . 431 LEU C . 16922 1
146 . 1 1 36 36 LEU CA C 13 57.726 0.000 . 1 . . . . 431 LEU CA . 16922 1
147 . 1 1 36 36 LEU CB C 13 40.812 0.000 . 1 . . . . 431 LEU CB . 16922 1
148 . 1 1 36 36 LEU N N 15 118.699 0.000 . 1 . . . . 431 LEU N . 16922 1
149 . 1 1 37 37 TYR H H 1 8.009 0.000 . 1 . . . . 432 TYR H . 16922 1
150 . 1 1 37 37 TYR C C 13 176.079 0.000 . 1 . . . . 432 TYR C . 16922 1
151 . 1 1 37 37 TYR CA C 13 61.289 0.000 . 1 . . . . 432 TYR CA . 16922 1
152 . 1 1 37 37 TYR CB C 13 37.611 0.000 . 1 . . . . 432 TYR CB . 16922 1
153 . 1 1 37 37 TYR N N 15 119.736 0.000 . 1 . . . . 432 TYR N . 16922 1
154 . 1 1 38 38 LEU H H 1 8.246 0.000 . 1 . . . . 433 LEU H . 16922 1
155 . 1 1 38 38 LEU C C 13 179.260 0.000 . 1 . . . . 433 LEU C . 16922 1
156 . 1 1 38 38 LEU CA C 13 57.694 0.000 . 1 . . . . 433 LEU CA . 16922 1
157 . 1 1 38 38 LEU CB C 13 40.712 0.000 . 1 . . . . 433 LEU CB . 16922 1
158 . 1 1 38 38 LEU N N 15 118.772 0.000 . 1 . . . . 433 LEU N . 16922 1
159 . 1 1 39 39 LEU H H 1 8.089 0.000 . 1 . . . . 434 LEU H . 16922 1
160 . 1 1 39 39 LEU C C 13 178.346 0.000 . 1 . . . . 434 LEU C . 16922 1
161 . 1 1 39 39 LEU CA C 13 57.661 0.000 . 1 . . . . 434 LEU CA . 16922 1
162 . 1 1 39 39 LEU CB C 13 40.775 0.000 . 1 . . . . 434 LEU CB . 16922 1
163 . 1 1 39 39 LEU N N 15 119.341 0.000 . 1 . . . . 434 LEU N . 16922 1
164 . 1 1 40 40 GLY H H 1 8.277 0.000 . 1 . . . . 435 GLY H . 16922 1
165 . 1 1 40 40 GLY C C 13 174.637 0.000 . 1 . . . . 435 GLY C . 16922 1
166 . 1 1 40 40 GLY CA C 13 47.486 0.000 . 1 . . . . 435 GLY CA . 16922 1
167 . 1 1 40 40 GLY N N 15 107.133 0.000 . 1 . . . . 435 GLY N . 16922 1
168 . 1 1 41 41 VAL H H 1 8.066 0.000 . 1 . . . . 436 VAL H . 16922 1
169 . 1 1 41 41 VAL C C 13 175.333 0.000 . 1 . . . . 436 VAL C . 16922 1
170 . 1 1 41 41 VAL CA C 13 66.528 0.000 . 1 . . . . 436 VAL CA . 16922 1
171 . 1 1 41 41 VAL CB C 13 30.841 0.000 . 1 . . . . 436 VAL CB . 16922 1
172 . 1 1 41 41 VAL N N 15 120.586 0.000 . 1 . . . . 436 VAL N . 16922 1
173 . 1 1 42 42 VAL H H 1 7.641 0.000 . 1 . . . . 437 VAL H . 16922 1
174 . 1 1 42 42 VAL CA C 13 66.263 0.000 . 1 . . . . 437 VAL CA . 16922 1
175 . 1 1 42 42 VAL CB C 13 30.967 0.000 . 1 . . . . 437 VAL CB . 16922 1
176 . 1 1 42 42 VAL N N 15 119.807 0.000 . 1 . . . . 437 VAL N . 16922 1
177 . 1 1 43 43 VAL H H 1 8.248 0.000 . 1 . . . . 438 VAL H . 16922 1
178 . 1 1 43 43 VAL C C 13 179.941 0.000 . 1 . . . . 438 VAL C . 16922 1
179 . 1 1 43 43 VAL CA C 13 66.910 0.000 . 1 . . . . 438 VAL CA . 16922 1
180 . 1 1 43 43 VAL CB C 13 30.904 0.000 . 1 . . . . 438 VAL CB . 16922 1
181 . 1 1 43 43 VAL N N 15 119.419 0.000 . 1 . . . . 438 VAL N . 16922 1
182 . 1 1 44 44 VAL H H 1 8.277 0.000 . 1 . . . . 439 VAL H . 16922 1
183 . 1 1 44 44 VAL CA C 13 66.982 0.000 . 1 . . . . 439 VAL CA . 16922 1
184 . 1 1 44 44 VAL CB C 13 30.800 0.000 . 1 . . . . 439 VAL CB . 16922 1
185 . 1 1 44 44 VAL N N 15 119.457 0.000 . 1 . . . . 439 VAL N . 16922 1
186 . 1 1 45 45 ALA H H 1 8.004 0.000 . 1 . . . . 440 ALA H . 16922 1
187 . 1 1 45 45 ALA CA C 13 55.007 0.000 . 1 . . . . 440 ALA CA . 16922 1
188 . 1 1 45 45 ALA CB C 13 17.616 0.000 . 1 . . . . 440 ALA CB . 16922 1
189 . 1 1 45 45 ALA N N 15 121.494 0.000 . 1 . . . . 440 ALA N . 16922 1
190 . 1 1 46 46 LEU H H 1 8.150 0.000 . 1 . . . . 441 LEU H . 16922 1
191 . 1 1 46 46 LEU C C 13 178.707 0.000 . 1 . . . . 441 LEU C . 16922 1
192 . 1 1 46 46 LEU CA C 13 57.336 0.000 . 1 . . . . 441 LEU CA . 16922 1
193 . 1 1 46 46 LEU CB C 13 41.281 0.000 . 1 . . . . 441 LEU CB . 16922 1
194 . 1 1 46 46 LEU N N 15 118.803 0.000 . 1 . . . . 441 LEU N . 16922 1
195 . 1 1 47 47 PHE H H 1 8.168 0.000 . 1 . . . . 442 PHE H . 16922 1
196 . 1 1 47 47 PHE C C 13 176.788 0.000 . 1 . . . . 442 PHE C . 16922 1
197 . 1 1 47 47 PHE CA C 13 60.128 0.000 . 1 . . . . 442 PHE CA . 16922 1
198 . 1 1 47 47 PHE CB C 13 39.067 0.000 . 1 . . . . 442 PHE CB . 16922 1
199 . 1 1 47 47 PHE N N 15 117.301 0.000 . 1 . . . . 442 PHE N . 16922 1
200 . 1 1 48 48 TYR H H 1 8.513 0.000 . 1 . . . . 443 TYR H . 16922 1
201 . 1 1 48 48 TYR C C 13 177.097 0.000 . 1 . . . . 443 TYR C . 16922 1
202 . 1 1 48 48 TYR CA C 13 60.501 0.000 . 1 . . . . 443 TYR CA . 16922 1
203 . 1 1 48 48 TYR CB C 13 37.864 0.000 . 1 . . . . 443 TYR CB . 16922 1
204 . 1 1 48 48 TYR N N 15 119.591 0.000 . 1 . . . . 443 TYR N . 16922 1
205 . 1 1 49 49 GLY H H 1 8.077 0.000 . 1 . . . . 444 GLY H . 16922 1
206 . 1 1 49 49 GLY CA C 13 45.865 0.000 . 1 . . . . 444 GLY CA . 16922 1
207 . 1 1 49 49 GLY N N 15 106.612 0.000 . 1 . . . . 444 GLY N . 16922 1
208 . 1 1 50 50 ARG H H 1 7.714 0.000 . 1 . . . . 445 ARG H . 16922 1
209 . 1 1 50 50 ARG C C 13 176.970 0.000 . 1 . . . . 445 ARG C . 16922 1
210 . 1 1 50 50 ARG CA C 13 55.490 0.000 . 1 . . . . 445 ARG CA . 16922 1
211 . 1 1 50 50 ARG CB C 13 29.765 0.000 . 1 . . . . 445 ARG CB . 16922 1
212 . 1 1 50 50 ARG N N 15 118.669 0.000 . 1 . . . . 445 ARG N . 16922 1
213 . 1 1 51 51 TRP H H 1 8.014 0.000 . 1 . . . . 446 TRP H . 16922 1
214 . 1 1 51 51 TRP CA C 13 58.333 0.000 . 1 . . . . 446 TRP CA . 16922 1
215 . 1 1 51 51 TRP CB C 13 27.677 0.000 . 1 . . . . 446 TRP CB . 16922 1
216 . 1 1 51 51 TRP N N 15 120.580 0.000 . 1 . . . . 446 TRP N . 16922 1
217 . 1 1 53 53 SER H H 1 8.025 0.000 . 1 . . . . 448 SER H . 16922 1
218 . 1 1 53 53 SER CA C 13 60.875 0.000 . 1 . . . . 448 SER CA . 16922 1
219 . 1 1 53 53 SER CB C 13 62.267 0.000 . 1 . . . . 448 SER CB . 16922 1
220 . 1 1 53 53 SER N N 15 113.877 0.000 . 1 . . . . 448 SER N . 16922 1
221 . 1 1 54 54 VAL H H 1 7.828 0.000 . 1 . . . . 449 VAL H . 16922 1
222 . 1 1 54 54 VAL CA C 13 65.799 0.000 . 1 . . . . 449 VAL CA . 16922 1
223 . 1 1 54 54 VAL CB C 13 30.942 0.000 . 1 . . . . 449 VAL CB . 16922 1
224 . 1 1 54 54 VAL N N 15 123.976 0.000 . 1 . . . . 449 VAL N . 16922 1
225 . 1 1 55 55 VAL H H 1 7.898 0.000 . 1 . . . . 450 VAL H . 16922 1
226 . 1 1 55 55 VAL C C 13 173.938 0.000 . 1 . . . . 450 VAL C . 16922 1
227 . 1 1 55 55 VAL CA C 13 66.940 0.000 . 1 . . . . 450 VAL CA . 16922 1
228 . 1 1 55 55 VAL CB C 13 30.841 0.000 . 1 . . . . 450 VAL CB . 16922 1
229 . 1 1 55 55 VAL N N 15 119.374 0.000 . 1 . . . . 450 VAL N . 16922 1
230 . 1 1 56 56 ALA H H 1 7.882 0.000 . 1 . . . . 451 ALA H . 16922 1
231 . 1 1 56 56 ALA C C 13 179.801 0.000 . 1 . . . . 451 ALA C . 16922 1
232 . 1 1 56 56 ALA CA C 13 55.097 0.000 . 1 . . . . 451 ALA CA . 16922 1
233 . 1 1 56 56 ALA CB C 13 17.806 0.000 . 1 . . . . 451 ALA CB . 16922 1
234 . 1 1 56 56 ALA N N 15 120.028 0.000 . 1 . . . . 451 ALA N . 16922 1
235 . 1 1 57 57 THR H H 1 7.738 0.000 . 1 . . . . 452 THR H . 16922 1
236 . 1 1 57 57 THR CA C 13 66.783 0.000 . 1 . . . . 452 THR CA . 16922 1
237 . 1 1 57 57 THR CB C 13 68.363 0.000 . 1 . . . . 452 THR CB . 16922 1
238 . 1 1 57 57 THR N N 15 114.718 0.000 . 1 . . . . 452 THR N . 16922 1
239 . 1 1 58 58 VAL H H 1 8.085 0.000 . 1 . . . . 453 VAL H . 16922 1
240 . 1 1 58 58 VAL CA C 13 66.822 0.000 . 1 . . . . 453 VAL CA . 16922 1
241 . 1 1 58 58 VAL CB C 13 30.651 0.000 . 1 . . . . 453 VAL CB . 16922 1
242 . 1 1 58 58 VAL N N 15 120.880 0.000 . 1 . . . . 453 VAL N . 16922 1
243 . 1 1 59 59 ILE H H 1 8.278 0.000 . 1 . . . . 454 ILE H . 16922 1
244 . 1 1 59 59 ILE CA C 13 64.762 0.000 . 1 . . . . 454 ILE CA . 16922 1
245 . 1 1 59 59 ILE CB C 13 36.979 0.000 . 1 . . . . 454 ILE CB . 16922 1
246 . 1 1 59 59 ILE N N 15 118.052 0.000 . 1 . . . . 454 ILE N . 16922 1
247 . 1 1 60 60 ASN H H 1 7.933 0.000 . 1 . . . . 455 ASN H . 16922 1
248 . 1 1 60 60 ASN C C 13 177.007 0.000 . 1 . . . . 455 ASN C . 16922 1
249 . 1 1 60 60 ASN CA C 13 55.941 0.000 . 1 . . . . 455 ASN CA . 16922 1
250 . 1 1 60 60 ASN CB C 13 38.624 0.000 . 1 . . . . 455 ASN CB . 16922 1
251 . 1 1 60 60 ASN N N 15 118.984 0.000 . 1 . . . . 455 ASN N . 16922 1
252 . 1 1 61 61 VAL H H 1 8.120 0.000 . 1 . . . . 456 VAL H . 16922 1
253 . 1 1 61 61 VAL C C 13 177.123 0.000 . 1 . . . . 456 VAL C . 16922 1
254 . 1 1 61 61 VAL CA C 13 65.115 0.000 . 1 . . . . 456 VAL CA . 16922 1
255 . 1 1 61 61 VAL CB C 13 31.368 0.000 . 1 . . . . 456 VAL CB . 16922 1
256 . 1 1 61 61 VAL N N 15 118.817 0.000 . 1 . . . . 456 VAL N . 16922 1
257 . 1 1 62 62 VAL H H 1 8.144 0.000 . 1 . . . . 457 VAL H . 16922 1
258 . 1 1 62 62 VAL CA C 13 64.880 0.000 . 1 . . . . 457 VAL CA . 16922 1
259 . 1 1 62 62 VAL CB C 13 30.904 0.000 . 1 . . . . 457 VAL CB . 16922 1
260 . 1 1 62 62 VAL N N 15 118.112 0.000 . 1 . . . . 457 VAL N . 16922 1
261 . 1 1 63 63 SER H H 1 7.977 0.000 . 1 . . . . 458 SER H . 16922 1
262 . 1 1 63 63 SER CA C 13 60.141 0.000 . 1 . . . . 458 SER CA . 16922 1
263 . 1 1 63 63 SER CB C 13 63.175 0.000 . 1 . . . . 458 SER CB . 16922 1
264 . 1 1 63 63 SER N N 15 115.018 0.000 . 1 . . . . 458 SER N . 16922 1
265 . 1 1 64 64 PHE H H 1 7.985 0.000 . 1 . . . . 459 PHE H . 16922 1
266 . 1 1 64 64 PHE C C 13 176.376 0.000 . 1 . . . . 459 PHE C . 16922 1
267 . 1 1 64 64 PHE CA C 13 59.493 0.000 . 1 . . . . 459 PHE CA . 16922 1
268 . 1 1 64 64 PHE CB C 13 38.814 0.000 . 1 . . . . 459 PHE CB . 16922 1
269 . 1 1 64 64 PHE N N 15 120.886 0.000 . 1 . . . . 459 PHE N . 16922 1
270 . 1 1 65 65 ASP H H 1 8.307 0.000 . 1 . . . . 460 ASP H . 16922 1
271 . 1 1 65 65 ASP C C 13 176.479 0.000 . 1 . . . . 460 ASP C . 16922 1
272 . 1 1 65 65 ASP CA C 13 54.931 0.000 . 1 . . . . 460 ASP CA . 16922 1
273 . 1 1 65 65 ASP CB C 13 38.497 0.000 . 1 . . . . 460 ASP CB . 16922 1
274 . 1 1 65 65 ASP N N 15 118.253 0.000 . 1 . . . . 460 ASP N . 16922 1
275 . 1 1 66 66 LEU H H 1 8.019 0.000 . 1 . . . . 461 LEU H . 16922 1
276 . 1 1 66 66 LEU C C 13 177.071 0.000 . 1 . . . . 461 LEU C . 16922 1
277 . 1 1 66 66 LEU CA C 13 56.655 0.000 . 1 . . . . 461 LEU CA . 16922 1
278 . 1 1 66 66 LEU CB C 13 41.091 0.000 . 1 . . . . 461 LEU CB . 16922 1
279 . 1 1 66 66 LEU N N 15 120.290 0.000 . 1 . . . . 461 LEU N . 16922 1
280 . 1 1 67 67 PHE H H 1 7.693 0.000 . 1 . . . . 462 PHE H . 16922 1
281 . 1 1 67 67 PHE CA C 13 59.052 0.000 . 1 . . . . 462 PHE CA . 16922 1
282 . 1 1 67 67 PHE CB C 13 38.118 0.000 . 1 . . . . 462 PHE CB . 16922 1
283 . 1 1 67 67 PHE N N 15 116.091 0.000 . 1 . . . . 462 PHE N . 16922 1
284 . 1 1 68 68 PHE H H 1 7.560 0.000 . 1 . . . . 463 PHE H . 16922 1
285 . 1 1 68 68 PHE CA C 13 58.610 0.000 . 1 . . . . 463 PHE CA . 16922 1
286 . 1 1 68 68 PHE CB C 13 38.624 0.000 . 1 . . . . 463 PHE CB . 16922 1
287 . 1 1 68 68 PHE N N 15 117.062 0.000 . 1 . . . . 463 PHE N . 16922 1
288 . 1 1 69 69 ILE H H 1 7.438 0.000 . 1 . . . . 464 ILE H . 16922 1
289 . 1 1 69 69 ILE C C 13 174.791 0.000 . 1 . . . . 464 ILE C . 16922 1
290 . 1 1 69 69 ILE CA C 13 61.081 0.000 . 1 . . . . 464 ILE CA . 16922 1
291 . 1 1 69 69 ILE CB C 13 38.244 0.000 . 1 . . . . 464 ILE CB . 16922 1
292 . 1 1 69 69 ILE N N 15 116.947 0.000 . 1 . . . . 464 ILE N . 16922 1
293 . 1 1 70 70 ALA H H 1 7.791 0.000 . 1 . . . . 465 ALA H . 16922 1
294 . 1 1 70 70 ALA CA C 13 50.957 0.000 . 1 . . . . 465 ALA CA . 16922 1
295 . 1 1 70 70 ALA CB C 13 17.490 0.000 . 1 . . . . 465 ALA CB . 16922 1
296 . 1 1 70 70 ALA N N 15 124.649 0.000 . 1 . . . . 465 ALA N . 16922 1
297 . 1 1 72 72 ARG H H 1 8.217 0.000 . 1 . . . . 467 ARG H . 16922 1
298 . 1 1 72 72 ARG C C 13 176.698 0.000 . 1 . . . . 467 ARG C . 16922 1
299 . 1 1 72 72 ARG CA C 13 56.077 0.000 . 1 . . . . 467 ARG CA . 16922 1
300 . 1 1 72 72 ARG CB C 13 29.765 0.000 . 1 . . . . 467 ARG CB . 16922 1
301 . 1 1 72 72 ARG N N 15 119.724 0.000 . 1 . . . . 467 ARG N . 16922 1
302 . 1 1 73 73 GLY H H 1 8.286 0.000 . 1 . . . . 468 GLY H . 16922 1
303 . 1 1 73 73 GLY C C 13 173.748 0.000 . 1 . . . . 468 GLY C . 16922 1
304 . 1 1 73 73 GLY CA C 13 45.461 0.000 . 1 . . . . 468 GLY CA . 16922 1
305 . 1 1 73 73 GLY N N 15 109.340 0.000 . 1 . . . . 468 GLY N . 16922 1
306 . 1 1 74 74 THR H H 1 7.864 0.000 . 1 . . . . 469 THR H . 16922 1
307 . 1 1 74 74 THR C C 13 174.423 0.000 . 1 . . . . 469 THR C . 16922 1
308 . 1 1 74 74 THR CA C 13 62.238 0.000 . 1 . . . . 469 THR CA . 16922 1
309 . 1 1 74 74 THR CB C 13 69.502 0.000 . 1 . . . . 469 THR CB . 16922 1
310 . 1 1 74 74 THR N N 15 113.543 0.000 . 1 . . . . 469 THR N . 16922 1
311 . 1 1 75 75 LEU H H 1 7.988 0.000 . 1 . . . . 470 LEU H . 16922 1
312 . 1 1 75 75 LEU C C 13 175.915 0.000 . 1 . . . . 470 LEU C . 16922 1
313 . 1 1 75 75 LEU CA C 13 54.804 0.000 . 1 . . . . 470 LEU CA . 16922 1
314 . 1 1 75 75 LEU CB C 13 42.420 0.000 . 1 . . . . 470 LEU CB . 16922 1
315 . 1 1 75 75 LEU N N 15 123.822 0.000 . 1 . . . . 470 LEU N . 16922 1
316 . 1 1 76 76 ALA H H 1 8.409 0.000 . 1 . . . . 471 ALA H . 16922 1
317 . 1 1 76 76 ALA C C 13 178.179 0.000 . 1 . . . . 471 ALA C . 16922 1
318 . 1 1 76 76 ALA CA C 13 51.252 0.000 . 1 . . . . 471 ALA CA . 16922 1
319 . 1 1 76 76 ALA CB C 13 19.578 0.000 . 1 . . . . 471 ALA CB . 16922 1
320 . 1 1 76 76 ALA N N 15 125.300 0.000 . 1 . . . . 471 ALA N . 16922 1
321 . 1 1 77 77 VAL H H 1 8.459 0.000 . 1 . . . . 472 VAL H . 16922 1
322 . 1 1 77 77 VAL CA C 13 65.439 0.000 . 1 . . . . 472 VAL CA . 16922 1
323 . 1 1 77 77 VAL CB C 13 30.967 0.000 . 1 . . . . 472 VAL CB . 16922 1
324 . 1 1 77 77 VAL N N 15 120.745 0.000 . 1 . . . . 472 VAL N . 16922 1
325 . 1 1 78 78 SER H H 1 8.219 0.000 . 1 . . . . 473 SER H . 16922 1
326 . 1 1 78 78 SER CA C 13 60.376 0.000 . 1 . . . . 473 SER CA . 16922 1
327 . 1 1 78 78 SER CB C 13 62.162 0.000 . 1 . . . . 473 SER CB . 16922 1
328 . 1 1 78 78 SER N N 15 114.751 0.000 . 1 . . . . 473 SER N . 16922 1
329 . 1 1 79 79 ASP H H 1 7.777 0.000 . 1 . . . . 474 ASP H . 16922 1
330 . 1 1 79 79 ASP CA C 13 56.006 0.000 . 1 . . . . 474 ASP CA . 16922 1
331 . 1 1 79 79 ASP CB C 13 39.826 0.000 . 1 . . . . 474 ASP CB . 16922 1
332 . 1 1 79 79 ASP N N 15 121.536 0.000 . 1 . . . . 474 ASP N . 16922 1
333 . 1 1 80 80 VAL H H 1 7.890 0.000 . 1 . . . . 475 VAL H . 16922 1
334 . 1 1 80 80 VAL CA C 13 65.851 0.000 . 1 . . . . 475 VAL CA . 16922 1
335 . 1 1 80 80 VAL CB C 13 30.942 0.000 . 1 . . . . 475 VAL CB . 16922 1
336 . 1 1 80 80 VAL N N 15 119.318 0.000 . 1 . . . . 475 VAL N . 16922 1
337 . 1 1 81 81 GLN H H 1 8.361 0.000 . 1 . . . . 476 GLN H . 16922 1
338 . 1 1 81 81 GLN C C 13 178.127 0.000 . 1 . . . . 476 GLN C . 16922 1
339 . 1 1 81 81 GLN CA C 13 59.611 0.000 . 1 . . . . 476 GLN CA . 16922 1
340 . 1 1 81 81 GLN CB C 13 27.551 0.000 . 1 . . . . 476 GLN CB . 16922 1
341 . 1 1 81 81 GLN N N 15 119.415 0.000 . 1 . . . . 476 GLN N . 16922 1
342 . 1 1 82 82 TYR H H 1 7.952 0.000 . 1 . . . . 477 TYR H . 16922 1
343 . 1 1 82 82 TYR CA C 13 60.850 0.000 . 1 . . . . 477 TYR CA . 16922 1
344 . 1 1 82 82 TYR CB C 13 37.422 0.000 . 1 . . . . 477 TYR CB . 16922 1
345 . 1 1 82 82 TYR N N 15 120.512 0.000 . 1 . . . . 477 TYR N . 16922 1
346 . 1 1 83 83 LEU H H 1 7.922 0.000 . 1 . . . . 478 LEU H . 16922 1
347 . 1 1 83 83 LEU CA C 13 57.668 0.000 . 1 . . . . 478 LEU CA . 16922 1
348 . 1 1 83 83 LEU CB C 13 41.281 0.000 . 1 . . . . 478 LEU CB . 16922 1
349 . 1 1 83 83 LEU N N 15 120.045 0.000 . 1 . . . . 478 LEU N . 16922 1
350 . 1 1 84 84 LEU H H 1 8.245 0.000 . 1 . . . . 479 LEU H . 16922 1
351 . 1 1 84 84 LEU C C 13 174.860 0.000 . 1 . . . . 479 LEU C . 16922 1
352 . 1 1 84 84 LEU CA C 13 57.581 0.000 . 1 . . . . 479 LEU CA . 16922 1
353 . 1 1 84 84 LEU CB C 13 40.965 0.000 . 1 . . . . 479 LEU CB . 16922 1
354 . 1 1 84 84 LEU N N 15 117.967 0.000 . 1 . . . . 479 LEU N . 16922 1
355 . 1 1 85 85 THR H H 1 7.939 0.000 . 1 . . . . 480 THR H . 16922 1
356 . 1 1 85 85 THR CA C 13 66.458 0.000 . 1 . . . . 480 THR CA . 16922 1
357 . 1 1 85 85 THR CB C 13 68.300 0.000 . 1 . . . . 480 THR CB . 16922 1
358 . 1 1 85 85 THR N N 15 114.231 0.000 . 1 . . . . 480 THR N . 16922 1
359 . 1 1 86 86 PHE H H 1 8.113 0.000 . 1 . . . . 481 PHE H . 16922 1
360 . 1 1 86 86 PHE C C 13 177.032 0.000 . 1 . . . . 481 PHE C . 16922 1
361 . 1 1 86 86 PHE CA C 13 60.671 0.000 . 1 . . . . 481 PHE CA . 16922 1
362 . 1 1 86 86 PHE CB C 13 38.371 0.000 . 1 . . . . 481 PHE CB . 16922 1
363 . 1 1 86 86 PHE N N 15 122.401 0.000 . 1 . . . . 481 PHE N . 16922 1
364 . 1 1 87 87 ALA H H 1 8.396 0.000 . 1 . . . . 482 ALA H . 16922 1
365 . 1 1 87 87 ALA C C 13 179.982 0.000 . 1 . . . . 482 ALA C . 16922 1
366 . 1 1 87 87 ALA CA C 13 55.196 0.000 . 1 . . . . 482 ALA CA . 16922 1
367 . 1 1 87 87 ALA CB C 13 17.553 0.000 . 1 . . . . 482 ALA CB . 16922 1
368 . 1 1 87 87 ALA N N 15 121.058 0.000 . 1 . . . . 482 ALA N . 16922 1
369 . 1 1 88 88 VAL H H 1 8.287 0.000 . 1 . . . . 483 VAL H . 16922 1
370 . 1 1 88 88 VAL CA C 13 66.763 0.000 . 1 . . . . 483 VAL CA . 16922 1
371 . 1 1 88 88 VAL CB C 13 30.651 0.000 . 1 . . . . 483 VAL CB . 16922 1
372 . 1 1 88 88 VAL N N 15 119.071 0.000 . 1 . . . . 483 VAL N . 16922 1
373 . 1 1 89 89 MET H H 1 8.131 0.000 . 1 . . . . 484 MET H . 16922 1
374 . 1 1 89 89 MET C C 13 177.831 0.000 . 1 . . . . 484 MET C . 16922 1
375 . 1 1 89 89 MET CA C 13 58.316 0.000 . 1 . . . . 484 MET CA . 16922 1
376 . 1 1 89 89 MET CB C 13 30.841 0.000 . 1 . . . . 484 MET CB . 16922 1
377 . 1 1 89 89 MET N N 15 118.956 0.000 . 1 . . . . 484 MET N . 16922 1
378 . 1 1 90 90 LEU H H 1 8.220 0.000 . 1 . . . . 485 LEU H . 16922 1
379 . 1 1 90 90 LEU C C 13 177.455 0.000 . 1 . . . . 485 LEU C . 16922 1
380 . 1 1 90 90 LEU CA C 13 57.462 0.000 . 1 . . . . 485 LEU CA . 16922 1
381 . 1 1 90 90 LEU CB C 13 41.534 0.000 . 1 . . . . 485 LEU CB . 16922 1
382 . 1 1 90 90 LEU N N 15 120.663 0.000 . 1 . . . . 485 LEU N . 16922 1
383 . 1 1 91 91 THR H H 1 7.750 0.000 . 1 . . . . 486 THR H . 16922 1
384 . 1 1 91 91 THR C C 13 176.092 0.000 . 1 . . . . 486 THR C . 16922 1
385 . 1 1 91 91 THR CA C 13 66.910 0.000 . 1 . . . . 486 THR CA . 16922 1
386 . 1 1 91 91 THR CB C 13 68.110 0.000 . 1 . . . . 486 THR CB . 16922 1
387 . 1 1 91 91 THR N N 15 115.074 0.000 . 1 . . . . 486 THR N . 16922 1
388 . 1 1 92 92 VAL H H 1 8.504 0.000 . 1 . . . . 487 VAL H . 16922 1
389 . 1 1 92 92 VAL C C 13 177.599 0.000 . 1 . . . . 487 VAL C . 16922 1
390 . 1 1 92 92 VAL CA C 13 66.718 0.000 . 1 . . . . 487 VAL CA . 16922 1
391 . 1 1 92 92 VAL CB C 13 30.778 0.000 . 1 . . . . 487 VAL CB . 16922 1
392 . 1 1 92 92 VAL N N 15 121.058 0.000 . 1 . . . . 487 VAL N . 16922 1
393 . 1 1 93 93 GLY H H 1 8.060 0.000 . 1 . . . . 488 GLY H . 16922 1
394 . 1 1 93 93 GLY CA C 13 46.994 0.000 . 1 . . . . 488 GLY CA . 16922 1
395 . 1 1 93 93 GLY N N 15 106.382 0.000 . 1 . . . . 488 GLY N . 16922 1
396 . 1 1 94 94 LEU H H 1 7.924 0.000 . 1 . . . . 489 LEU H . 16922 1
397 . 1 1 94 94 LEU C C 13 178.732 0.000 . 1 . . . . 489 LEU C . 16922 1
398 . 1 1 94 94 LEU CA C 13 57.207 0.000 . 1 . . . . 489 LEU CA . 16922 1
399 . 1 1 94 94 LEU CB C 13 41.598 0.000 . 1 . . . . 489 LEU CB . 16922 1
400 . 1 1 94 94 LEU N N 15 122.341 0.000 . 1 . . . . 489 LEU N . 16922 1
401 . 1 1 95 95 VAL H H 1 8.041 0.000 . 1 . . . . 490 VAL H . 16922 1
402 . 1 1 95 95 VAL C C 13 177.470 0.000 . 1 . . . . 490 VAL C . 16922 1
403 . 1 1 95 95 VAL CA C 13 65.851 0.000 . 1 . . . . 490 VAL CA . 16922 1
404 . 1 1 95 95 VAL CB C 13 31.474 0.000 . 1 . . . . 490 VAL CB . 16922 1
405 . 1 1 95 95 VAL N N 15 118.940 0.000 . 1 . . . . 490 VAL N . 16922 1
406 . 1 1 96 96 ILE H H 1 8.451 0.000 . 1 . . . . 491 ILE H . 16922 1
407 . 1 1 96 96 ILE C C 13 178.359 0.000 . 1 . . . . 491 ILE C . 16922 1
408 . 1 1 96 96 ILE CA C 13 63.849 0.000 . 1 . . . . 491 ILE CA . 16922 1
409 . 1 1 96 96 ILE CB C 13 36.725 0.000 . 1 . . . . 491 ILE CB . 16922 1
410 . 1 1 96 96 ILE N N 15 118.702 0.000 . 1 . . . . 491 ILE N . 16922 1
411 . 1 1 97 97 GLY H H 1 8.224 0.000 . 1 . . . . 492 GLY H . 16922 1
412 . 1 1 97 97 GLY CA C 13 46.407 0.000 . 1 . . . . 492 GLY CA . 16922 1
413 . 1 1 97 97 GLY N N 15 108.749 0.000 . 1 . . . . 492 GLY N . 16922 1
414 . 1 1 98 98 ASN H H 1 7.846 0.000 . 1 . . . . 493 ASN H . 16922 1
415 . 1 1 98 98 ASN C C 13 176.234 0.000 . 1 . . . . 493 ASN C . 16922 1
416 . 1 1 98 98 ASN CA C 13 54.934 0.000 . 1 . . . . 493 ASN CA . 16922 1
417 . 1 1 98 98 ASN CB C 13 39.383 0.000 . 1 . . . . 493 ASN CB . 16922 1
418 . 1 1 98 98 ASN N N 15 118.488 0.000 . 1 . . . . 493 ASN N . 16922 1
419 . 1 1 99 99 LEU H H 1 8.103 0.000 . 1 . . . . 494 LEU H . 16922 1
420 . 1 1 99 99 LEU CA C 13 56.557 0.000 . 1 . . . . 494 LEU CA . 16922 1
421 . 1 1 99 99 LEU CB C 13 41.724 0.000 . 1 . . . . 494 LEU CB . 16922 1
422 . 1 1 99 99 LEU N N 15 120.278 0.000 . 1 . . . . 494 LEU N . 16922 1
423 . 1 1 100 100 THR H H 1 7.881 0.000 . 1 . . . . 495 THR H . 16922 1
424 . 1 1 100 100 THR C C 13 174.779 0.000 . 1 . . . . 495 THR C . 16922 1
425 . 1 1 100 100 THR CA C 13 62.412 0.000 . 1 . . . . 495 THR CA . 16922 1
426 . 1 1 100 100 THR CB C 13 69.249 0.000 . 1 . . . . 495 THR CB . 16922 1
427 . 1 1 100 100 THR N N 15 110.124 0.000 . 1 . . . . 495 THR N . 16922 1
428 . 1 1 101 101 ALA H H 1 7.812 0.000 . 1 . . . . 496 ALA H . 16922 1
429 . 1 1 101 101 ALA C C 13 178.217 0.000 . 1 . . . . 496 ALA C . 16922 1
430 . 1 1 101 101 ALA CA C 13 53.240 0.000 . 1 . . . . 496 ALA CA . 16922 1
431 . 1 1 101 101 ALA CB C 13 18.376 0.000 . 1 . . . . 496 ALA CB . 16922 1
432 . 1 1 101 101 ALA N N 15 124.945 0.000 . 1 . . . . 496 ALA N . 16922 1
433 . 1 1 102 102 GLY H H 1 8.159 0.000 . 1 . . . . 497 GLY H . 16922 1
434 . 1 1 102 102 GLY C C 13 174.070 0.000 . 1 . . . . 497 GLY C . 16922 1
435 . 1 1 102 102 GLY CA C 13 45.453 0.000 . 1 . . . . 497 GLY CA . 16922 1
436 . 1 1 102 102 GLY N N 15 106.755 0.000 . 1 . . . . 497 GLY N . 16922 1
437 . 1 1 103 103 VAL H H 1 7.752 0.000 . 1 . . . . 498 VAL H . 16922 1
438 . 1 1 103 103 VAL C C 13 175.641 0.000 . 1 . . . . 498 VAL C . 16922 1
439 . 1 1 103 103 VAL CA C 13 62.407 0.000 . 1 . . . . 498 VAL CA . 16922 1
440 . 1 1 103 103 VAL CB C 13 31.727 0.000 . 1 . . . . 498 VAL CB . 16922 1
441 . 1 1 103 103 VAL N N 15 118.863 0.000 . 1 . . . . 498 VAL N . 16922 1
442 . 1 1 104 104 ARG H H 1 8.068 0.000 . 1 . . . . 499 ARG H . 16922 1
443 . 1 1 104 104 ARG C C 13 175.448 0.000 . 1 . . . . 499 ARG C . 16922 1
444 . 1 1 104 104 ARG CA C 13 55.701 0.000 . 1 . . . . 499 ARG CA . 16922 1
445 . 1 1 104 104 ARG CB C 13 30.208 0.000 . 1 . . . . 499 ARG CB . 16922 1
446 . 1 1 104 104 ARG N N 15 123.255 0.000 . 1 . . . . 499 ARG N . 16922 1
447 . 1 1 105 105 TYR H H 1 8.001 0.000 . 1 . . . . 500 TYR H . 16922 1
448 . 1 1 105 105 TYR C C 13 174.946 0.000 . 1 . . . . 500 TYR C . 16922 1
449 . 1 1 105 105 TYR CA C 13 57.697 0.000 . 1 . . . . 500 TYR CA . 16922 1
450 . 1 1 105 105 TYR CB C 13 38.371 0.000 . 1 . . . . 500 TYR CB . 16922 1
451 . 1 1 105 105 TYR N N 15 121.362 0.000 . 1 . . . . 500 TYR N . 16922 1
452 . 1 1 106 106 GLN H H 1 7.993 0.000 . 1 . . . . 501 GLN H . 16922 1
453 . 1 1 106 106 GLN C C 13 173.877 0.000 . 1 . . . . 501 GLN C . 16922 1
454 . 1 1 106 106 GLN CA C 13 55.209 0.000 . 1 . . . . 501 GLN CA . 16922 1
455 . 1 1 106 106 GLN CB C 13 29.259 0.000 . 1 . . . . 501 GLN CB . 16922 1
456 . 1 1 106 106 GLN N N 15 123.166 0.000 . 1 . . . . 501 GLN N . 16922 1
457 . 1 1 107 107 ALA H H 1 7.868 0.000 . 1 . . . . 502 ALA H . 16922 1
458 . 1 1 107 107 ALA C C 13 182.427 0.000 . 1 . . . . 502 ALA C . 16922 1
459 . 1 1 107 107 ALA CA C 13 53.457 0.000 . 1 . . . . 502 ALA CA . 16922 1
460 . 1 1 107 107 ALA CB C 13 19.388 0.000 . 1 . . . . 502 ALA CB . 16922 1
461 . 1 1 107 107 ALA N N 15 131.646 0.000 . 1 . . . . 502 ALA N . 16922 1
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