data_18650
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 18650
_Entry.Title
;
NMR structure of RelA-TAD/CBP-TAZ1 complex
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2012-08-07
_Entry.Accession_date 2012-08-07
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.1
_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 Peter Wright . E. . 18650
2 Sulakshana Mukherjee . P. . 18650
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
1 'not applicable' 'not applicable' . 18650
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'Creb Binding Protein' . 18650
NF-kappaB . 18650
p65 . 18650
Transcription . 18650
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 18650
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 531 18650
'15N chemical shifts' 175 18650
'1H chemical shifts' 1116 18650
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 . . 2014-02-19 2012-08-07 update BMRB 'update entry citation' 18650
1 . . 2013-09-10 2012-08-07 original author 'original release' 18650
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2LWW 'BMRB Entry Tracking System' 18650
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 18650
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 24019758
_Citation.Full_citation .
_Citation.Title 'Analysis of the RelA:CBP/p300 interaction reveals its involvement in NF-B-driven transcription.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'PLoS Biol.'
_Citation.Journal_name_full 'PLoS biology'
_Citation.Journal_volume 11
_Citation.Journal_issue 9
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year 2013
_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 Sulakshana Mukherjee . P. . 18650 1
2 Marcelo Behar . . . 18650 1
3 Harry Birnbaum . A. . 18650 1
4 Alexander Hoffmann . . . 18650 1
5 Peter Wright . E. . 18650 1
6 Gourisankar Ghosh . . . 18650 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 18650
_Assembly.ID 1
_Assembly.Name 'RelA-TAD/CBP-TAZ1 complex'
_Assembly.BMRB_code .
_Assembly.Number_of_components 5
_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 TAZ1 1 $TAZ1 A . yes native no no . . . 18650 1
2 RelA-TA2 2 $RelA-TA2 B . yes native no no . . . 18650 1
3 'ZINC ION_1' 3 $entity_ZN C . no native no no . . . 18650 1
4 'ZINC ION_2' 3 $entity_ZN D . no native no no . . . 18650 1
5 'ZINC ION_3' 3 $entity_ZN E . no native no no . . . 18650 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 sulfide single . 1 TAZ1 1 CYS 27 27 SG . 3 'ZINC ION_1' 3 ZN 1 1 ZN 1 TAZ1 366 CYS SG 3 'ZINC ION' 1 ZN ZN 18650 1
2 sulfide single . 1 TAZ1 1 CYS 40 40 SG . 3 'ZINC ION_1' 3 ZN 1 1 ZN 1 TAZ1 379 CYS SG 3 'ZINC ION' 1 ZN ZN 18650 1
3 sulfide single . 1 TAZ1 1 CYS 58 58 SG . 4 'ZINC ION_2' 3 ZN 1 1 ZN 1 TAZ1 397 CYS SG 3 'ZINC ION' 1 ZN ZN 18650 1
4 sulfide single . 1 TAZ1 1 CYS 64 64 SG . 4 'ZINC ION_2' 3 ZN 1 1 ZN 1 TAZ1 403 CYS SG 3 'ZINC ION' 1 ZN ZN 18650 1
5 sulfide single . 1 TAZ1 1 CYS 69 69 SG . 4 'ZINC ION_2' 3 ZN 1 1 ZN 1 TAZ1 408 CYS SG 3 'ZINC ION' 1 ZN ZN 18650 1
6 sulfide single . 1 TAZ1 1 CYS 82 82 SG . 5 'ZINC ION_3' 3 ZN 1 1 ZN 1 TAZ1 421 CYS SG 3 'ZINC ION' 1 ZN ZN 18650 1
7 sulfide single . 1 TAZ1 1 CYS 87 87 SG . 5 'ZINC ION_3' 3 ZN 1 1 ZN 1 TAZ1 426 CYS SG 3 'ZINC ION' 1 ZN ZN 18650 1
8 sulfide single . 1 TAZ1 1 CYS 90 90 SG . 5 'ZINC ION_3' 3 ZN 1 1 ZN 1 TAZ1 429 CYS SG 3 'ZINC ION' 1 ZN ZN 18650 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_TAZ1
_Entity.Sf_category entity
_Entity.Sf_framecode TAZ1
_Entity.Entry_ID 18650
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name TAZ1
_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
;
ATGPTADPEKRKLIQQQLVL
LLHAHKCQRREQANGEVRAC
SLPHCRTMKNVLNHMTHCQA
GKACQVAHCASSRQIISHWK
NCTRHDCPVCLPLKNASDKR
;
_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 100
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all other bound'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment TAZ1
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 11281.236
_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 BMRB 16014 . TAZ1 . . . . . 100.00 100 100.00 100.00 2.74e-65 . . . . 18650 1
2 no PDB 1L8C . "Structural Basis For Hif-1alphaCBP RECOGNITION IN THE Cellular Hypoxic Response" . . . . . 95.00 95 100.00 100.00 4.91e-61 . . . . 18650 1
3 no PDB 1R8U . "Nmr Structure Of Cbp Taz1CITED2 COMPLEX" . . . . . 100.00 100 100.00 100.00 2.74e-65 . . . . 18650 1
4 no PDB 1U2N . "Structure Cbp Taz1 Domain" . . . . . 100.00 100 99.00 99.00 5.81e-64 . . . . 18650 1
5 no PDB 2KA4 . "Nmr Structure Of The Cbp-Taz1STAT2-Tad Complex" . . . . . 100.00 100 100.00 100.00 2.74e-65 . . . . 18650 1
6 no PDB 2LWW . "Nmr Structure Of Rela-tad/cbp-taz1 Complex" . . . . . 100.00 100 100.00 100.00 2.74e-65 . . . . 18650 1
7 no DBJ BAE06125 . "CREBBP variant protein [Homo sapiens]" . . . . . 66.00 2404 98.48 98.48 2.81e-35 . . . . 18650 1
8 no DBJ BAG65526 . "unnamed protein product [Homo sapiens]" . . . . . 53.00 1198 100.00 100.00 2.03e-28 . . . . 18650 1
9 no DBJ BAI45616 . "CREB binding protein [synthetic construct]" . . . . . 100.00 2442 100.00 100.00 4.18e-62 . . . . 18650 1
10 no EMBL CDQ85159 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 97.00 538 96.91 97.94 1.06e-52 . . . . 18650 1
11 no GB AAB28651 . "CREB-binding protein [Mus sp.]" . . . . . 100.00 2441 99.00 99.00 7.18e-61 . . . . 18650 1
12 no GB AAC08447 . "CBP [Homo sapiens]" . . . . . 100.00 555 100.00 100.00 3.60e-65 . . . . 18650 1
13 no GB AAC51331 . "CREB-binding protein [Homo sapiens]" . . . . . 100.00 2442 100.00 100.00 4.18e-62 . . . . 18650 1
14 no GB AAC51770 . "CREB-binding protein [Homo sapiens]" . . . . . 100.00 2442 100.00 100.00 3.99e-62 . . . . 18650 1
15 no GB AAH44677 . "Crebbp-A protein [Xenopus laevis]" . . . . . 100.00 1047 97.00 98.00 1.31e-62 . . . . 18650 1
16 no PRF 1923401A . "protein CBP" . . . . . 100.00 2441 99.00 99.00 7.18e-61 . . . . 18650 1
17 no REF NP_001020603 . "CREB-binding protein [Mus musculus]" . . . . . 100.00 2441 100.00 100.00 4.56e-62 . . . . 18650 1
18 no REF NP_001073315 . "CREB-binding protein isoform b [Homo sapiens]" . . . . . 66.00 2404 98.48 98.48 2.81e-35 . . . . 18650 1
19 no REF NP_001088637 . "CREB binding protein [Xenopus laevis]" . . . . . 100.00 2428 97.00 98.00 3.46e-60 . . . . 18650 1
20 no REF NP_001157494 . "CREB-binding protein [Bos taurus]" . . . . . 100.00 2435 99.00 100.00 1.17e-61 . . . . 18650 1
21 no REF NP_001247644 . "CREB-binding protein [Macaca mulatta]" . . . . . 100.00 2442 100.00 100.00 4.39e-62 . . . . 18650 1
22 no SP P45481 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2441 100.00 100.00 4.22e-62 . . . . 18650 1
23 no SP Q6JHU9 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2442 100.00 100.00 4.43e-62 . . . . 18650 1
24 no SP Q92793 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2442 100.00 100.00 4.18e-62 . . . . 18650 1
25 no TPG DAA15549 . "TPA: CREB binding protein [Bos taurus]" . . . . . 100.00 2435 99.00 100.00 1.17e-61 . . . . 18650 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
1 340 ALA . 18650 1
2 341 THR . 18650 1
3 342 GLY . 18650 1
4 343 PRO . 18650 1
5 344 THR . 18650 1
6 345 ALA . 18650 1
7 346 ASP . 18650 1
8 347 PRO . 18650 1
9 348 GLU . 18650 1
10 349 LYS . 18650 1
11 350 ARG . 18650 1
12 351 LYS . 18650 1
13 352 LEU . 18650 1
14 353 ILE . 18650 1
15 354 GLN . 18650 1
16 355 GLN . 18650 1
17 356 GLN . 18650 1
18 357 LEU . 18650 1
19 358 VAL . 18650 1
20 359 LEU . 18650 1
21 360 LEU . 18650 1
22 361 LEU . 18650 1
23 362 HIS . 18650 1
24 363 ALA . 18650 1
25 364 HIS . 18650 1
26 365 LYS . 18650 1
27 366 CYS . 18650 1
28 367 GLN . 18650 1
29 368 ARG . 18650 1
30 369 ARG . 18650 1
31 370 GLU . 18650 1
32 371 GLN . 18650 1
33 372 ALA . 18650 1
34 373 ASN . 18650 1
35 374 GLY . 18650 1
36 375 GLU . 18650 1
37 376 VAL . 18650 1
38 377 ARG . 18650 1
39 378 ALA . 18650 1
40 379 CYS . 18650 1
41 380 SER . 18650 1
42 381 LEU . 18650 1
43 382 PRO . 18650 1
44 383 HIS . 18650 1
45 384 CYS . 18650 1
46 385 ARG . 18650 1
47 386 THR . 18650 1
48 387 MET . 18650 1
49 388 LYS . 18650 1
50 389 ASN . 18650 1
51 390 VAL . 18650 1
52 391 LEU . 18650 1
53 392 ASN . 18650 1
54 393 HIS . 18650 1
55 394 MET . 18650 1
56 395 THR . 18650 1
57 396 HIS . 18650 1
58 397 CYS . 18650 1
59 398 GLN . 18650 1
60 399 ALA . 18650 1
61 400 GLY . 18650 1
62 401 LYS . 18650 1
63 402 ALA . 18650 1
64 403 CYS . 18650 1
65 404 GLN . 18650 1
66 405 VAL . 18650 1
67 406 ALA . 18650 1
68 407 HIS . 18650 1
69 408 CYS . 18650 1
70 409 ALA . 18650 1
71 410 SER . 18650 1
72 411 SER . 18650 1
73 412 ARG . 18650 1
74 413 GLN . 18650 1
75 414 ILE . 18650 1
76 415 ILE . 18650 1
77 416 SER . 18650 1
78 417 HIS . 18650 1
79 418 TRP . 18650 1
80 419 LYS . 18650 1
81 420 ASN . 18650 1
82 421 CYS . 18650 1
83 422 THR . 18650 1
84 423 ARG . 18650 1
85 424 HIS . 18650 1
86 425 ASP . 18650 1
87 426 CYS . 18650 1
88 427 PRO . 18650 1
89 428 VAL . 18650 1
90 429 CYS . 18650 1
91 430 LEU . 18650 1
92 431 PRO . 18650 1
93 432 LEU . 18650 1
94 433 LYS . 18650 1
95 434 ASN . 18650 1
96 435 ALA . 18650 1
97 436 SER . 18650 1
98 437 ASP . 18650 1
99 438 LYS . 18650 1
100 439 ARG . 18650 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. ALA 1 1 18650 1
. THR 2 2 18650 1
. GLY 3 3 18650 1
. PRO 4 4 18650 1
. THR 5 5 18650 1
. ALA 6 6 18650 1
. ASP 7 7 18650 1
. PRO 8 8 18650 1
. GLU 9 9 18650 1
. LYS 10 10 18650 1
. ARG 11 11 18650 1
. LYS 12 12 18650 1
. LEU 13 13 18650 1
. ILE 14 14 18650 1
. GLN 15 15 18650 1
. GLN 16 16 18650 1
. GLN 17 17 18650 1
. LEU 18 18 18650 1
. VAL 19 19 18650 1
. LEU 20 20 18650 1
. LEU 21 21 18650 1
. LEU 22 22 18650 1
. HIS 23 23 18650 1
. ALA 24 24 18650 1
. HIS 25 25 18650 1
. LYS 26 26 18650 1
. CYS 27 27 18650 1
. GLN 28 28 18650 1
. ARG 29 29 18650 1
. ARG 30 30 18650 1
. GLU 31 31 18650 1
. GLN 32 32 18650 1
. ALA 33 33 18650 1
. ASN 34 34 18650 1
. GLY 35 35 18650 1
. GLU 36 36 18650 1
. VAL 37 37 18650 1
. ARG 38 38 18650 1
. ALA 39 39 18650 1
. CYS 40 40 18650 1
. SER 41 41 18650 1
. LEU 42 42 18650 1
. PRO 43 43 18650 1
. HIS 44 44 18650 1
. CYS 45 45 18650 1
. ARG 46 46 18650 1
. THR 47 47 18650 1
. MET 48 48 18650 1
. LYS 49 49 18650 1
. ASN 50 50 18650 1
. VAL 51 51 18650 1
. LEU 52 52 18650 1
. ASN 53 53 18650 1
. HIS 54 54 18650 1
. MET 55 55 18650 1
. THR 56 56 18650 1
. HIS 57 57 18650 1
. CYS 58 58 18650 1
. GLN 59 59 18650 1
. ALA 60 60 18650 1
. GLY 61 61 18650 1
. LYS 62 62 18650 1
. ALA 63 63 18650 1
. CYS 64 64 18650 1
. GLN 65 65 18650 1
. VAL 66 66 18650 1
. ALA 67 67 18650 1
. HIS 68 68 18650 1
. CYS 69 69 18650 1
. ALA 70 70 18650 1
. SER 71 71 18650 1
. SER 72 72 18650 1
. ARG 73 73 18650 1
. GLN 74 74 18650 1
. ILE 75 75 18650 1
. ILE 76 76 18650 1
. SER 77 77 18650 1
. HIS 78 78 18650 1
. TRP 79 79 18650 1
. LYS 80 80 18650 1
. ASN 81 81 18650 1
. CYS 82 82 18650 1
. THR 83 83 18650 1
. ARG 84 84 18650 1
. HIS 85 85 18650 1
. ASP 86 86 18650 1
. CYS 87 87 18650 1
. PRO 88 88 18650 1
. VAL 89 89 18650 1
. CYS 90 90 18650 1
. LEU 91 91 18650 1
. PRO 92 92 18650 1
. LEU 93 93 18650 1
. LYS 94 94 18650 1
. ASN 95 95 18650 1
. ALA 96 96 18650 1
. SER 97 97 18650 1
. ASP 98 98 18650 1
. LYS 99 99 18650 1
. ARG 100 100 18650 1
stop_
save_
save_RelA-TA2
_Entity.Sf_category entity
_Entity.Sf_framecode RelA-TA2
_Entity.Entry_ID 18650
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name RelA-TA2
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID B
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GSHMKSTQAGEGTLSEALLH
LQFDADEDLGALLGNSTDPG
VFTDLASVDNSEFQQLLNQG
VSMSHSTAEP
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq 425,K
_Entity.Polymer_author_seq_details 'RelA sequence starts from Lys-425. The first four N-terminal residues are due to thrombin cleavage site.'
_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 70
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment RelA-TA2
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 7322.905
_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 PDB 2LWW . "Nmr Structure Of Rela-tad/cbp-taz1 Complex" . . . . . 100.00 70 100.00 100.00 1.47e-40 . . . . 18650 2
2 no DBJ BAC40904 . "unnamed protein product [Mus musculus]" . . . . . 94.29 549 98.48 98.48 1.94e-34 . . . . 18650 2
3 no DBJ BAE32727 . "unnamed protein product [Mus musculus]" . . . . . 94.29 549 100.00 100.00 3.48e-35 . . . . 18650 2
4 no DBJ BAE33485 . "unnamed protein product [Mus musculus]" . . . . . 94.29 549 100.00 100.00 3.48e-35 . . . . 18650 2
5 no DBJ BAE33954 . "unnamed protein product [Mus musculus]" . . . . . 94.29 549 100.00 100.00 3.48e-35 . . . . 18650 2
6 no DBJ BAE34348 . "unnamed protein product [Mus musculus]" . . . . . 94.29 549 100.00 100.00 3.48e-35 . . . . 18650 2
7 no GB AAA39811 . "transcription factor p65 [Mus musculus]" . . . . . 94.29 549 100.00 100.00 3.48e-35 . . . . 18650 2
8 no GB AAF82405 . "nuclear transcription factor RelA [Mus musculus]" . . . . . 94.29 549 100.00 100.00 3.48e-35 . . . . 18650 2
9 no GB AAH03818 . "V-rel reticuloendotheliosis viral oncogene homolog A (avian) [Mus musculus]" . . . . . 94.29 549 100.00 100.00 3.48e-35 . . . . 18650 2
10 no GB AAH79457 . "V-rel reticuloendotheliosis viral oncogene homolog A (avian) [Rattus norvegicus]" . . . . . 94.29 550 96.97 100.00 1.95e-34 . . . . 18650 2
11 no GB AAH94053 . "V-rel reticuloendotheliosis viral oncogene homolog A (avian) [Mus musculus]" . . . . . 94.29 549 100.00 100.00 3.48e-35 . . . . 18650 2
12 no REF NP_033071 . "transcription factor p65 [Mus musculus]" . . . . . 94.29 549 100.00 100.00 3.48e-35 . . . . 18650 2
13 no REF NP_954888 . "transcription factor p65 [Rattus norvegicus]" . . . . . 94.29 550 96.97 100.00 1.95e-34 . . . . 18650 2
14 no REF XP_005351804 . "PREDICTED: transcription factor p65 [Microtus ochrogaster]" . . . . . 94.29 547 96.97 98.48 3.07e-34 . . . . 18650 2
15 no REF XP_006531757 . "PREDICTED: transcription factor p65 isoform X1 [Mus musculus]" . . . . . 94.29 556 100.00 100.00 2.92e-35 . . . . 18650 2
16 no REF XP_006531758 . "PREDICTED: transcription factor p65 isoform X2 [Mus musculus]" . . . . . 94.29 518 100.00 100.00 2.83e-35 . . . . 18650 2
17 no SP Q04207 . "RecName: Full=Transcription factor p65; AltName: Full=Nuclear factor NF-kappa-B p65 subunit; AltName: Full=Nuclear factor of ka" . . . . . 94.29 549 100.00 100.00 3.48e-35 . . . . 18650 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
1 421 GLY . 18650 2
2 422 SER . 18650 2
3 423 HIS . 18650 2
4 424 MET . 18650 2
5 425 LYS . 18650 2
6 426 SER . 18650 2
7 427 THR . 18650 2
8 428 GLN . 18650 2
9 429 ALA . 18650 2
10 430 GLY . 18650 2
11 431 GLU . 18650 2
12 432 GLY . 18650 2
13 433 THR . 18650 2
14 434 LEU . 18650 2
15 435 SER . 18650 2
16 436 GLU . 18650 2
17 437 ALA . 18650 2
18 438 LEU . 18650 2
19 439 LEU . 18650 2
20 440 HIS . 18650 2
21 441 LEU . 18650 2
22 442 GLN . 18650 2
23 443 PHE . 18650 2
24 444 ASP . 18650 2
25 445 ALA . 18650 2
26 446 ASP . 18650 2
27 447 GLU . 18650 2
28 448 ASP . 18650 2
29 449 LEU . 18650 2
30 450 GLY . 18650 2
31 451 ALA . 18650 2
32 452 LEU . 18650 2
33 453 LEU . 18650 2
34 454 GLY . 18650 2
35 455 ASN . 18650 2
36 456 SER . 18650 2
37 457 THR . 18650 2
38 458 ASP . 18650 2
39 459 PRO . 18650 2
40 460 GLY . 18650 2
41 461 VAL . 18650 2
42 462 PHE . 18650 2
43 463 THR . 18650 2
44 464 ASP . 18650 2
45 465 LEU . 18650 2
46 466 ALA . 18650 2
47 467 SER . 18650 2
48 468 VAL . 18650 2
49 469 ASP . 18650 2
50 470 ASN . 18650 2
51 471 SER . 18650 2
52 472 GLU . 18650 2
53 473 PHE . 18650 2
54 474 GLN . 18650 2
55 475 GLN . 18650 2
56 476 LEU . 18650 2
57 477 LEU . 18650 2
58 478 ASN . 18650 2
59 479 GLN . 18650 2
60 480 GLY . 18650 2
61 481 VAL . 18650 2
62 482 SER . 18650 2
63 483 MET . 18650 2
64 484 SER . 18650 2
65 485 HIS . 18650 2
66 486 SER . 18650 2
67 487 THR . 18650 2
68 488 ALA . 18650 2
69 489 GLU . 18650 2
70 490 PRO . 18650 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
. GLY 1 1 18650 2
. SER 2 2 18650 2
. HIS 3 3 18650 2
. MET 4 4 18650 2
. LYS 5 5 18650 2
. SER 6 6 18650 2
. THR 7 7 18650 2
. GLN 8 8 18650 2
. ALA 9 9 18650 2
. GLY 10 10 18650 2
. GLU 11 11 18650 2
. GLY 12 12 18650 2
. THR 13 13 18650 2
. LEU 14 14 18650 2
. SER 15 15 18650 2
. GLU 16 16 18650 2
. ALA 17 17 18650 2
. LEU 18 18 18650 2
. LEU 19 19 18650 2
. HIS 20 20 18650 2
. LEU 21 21 18650 2
. GLN 22 22 18650 2
. PHE 23 23 18650 2
. ASP 24 24 18650 2
. ALA 25 25 18650 2
. ASP 26 26 18650 2
. GLU 27 27 18650 2
. ASP 28 28 18650 2
. LEU 29 29 18650 2
. GLY 30 30 18650 2
. ALA 31 31 18650 2
. LEU 32 32 18650 2
. LEU 33 33 18650 2
. GLY 34 34 18650 2
. ASN 35 35 18650 2
. SER 36 36 18650 2
. THR 37 37 18650 2
. ASP 38 38 18650 2
. PRO 39 39 18650 2
. GLY 40 40 18650 2
. VAL 41 41 18650 2
. PHE 42 42 18650 2
. THR 43 43 18650 2
. ASP 44 44 18650 2
. LEU 45 45 18650 2
. ALA 46 46 18650 2
. SER 47 47 18650 2
. VAL 48 48 18650 2
. ASP 49 49 18650 2
. ASN 50 50 18650 2
. SER 51 51 18650 2
. GLU 52 52 18650 2
. PHE 53 53 18650 2
. GLN 54 54 18650 2
. GLN 55 55 18650 2
. LEU 56 56 18650 2
. LEU 57 57 18650 2
. ASN 58 58 18650 2
. GLN 59 59 18650 2
. GLY 60 60 18650 2
. VAL 61 61 18650 2
. SER 62 62 18650 2
. MET 63 63 18650 2
. SER 64 64 18650 2
. HIS 65 65 18650 2
. SER 66 66 18650 2
. THR 67 67 18650 2
. ALA 68 68 18650 2
. GLU 69 69 18650 2
. PRO 70 70 18650 2
stop_
save_
save_entity_ZN
_Entity.Sf_category entity
_Entity.Sf_framecode entity_ZN
_Entity.Entry_ID 18650
_Entity.ID 3
_Entity.BMRB_code ZN
_Entity.Name 'ZINC ION'
_Entity.Type non-polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type .
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code .
_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 ZN
_Entity.Nonpolymer_comp_label $chem_comp_ZN
_Entity.Number_of_monomers .
_Entity.Number_of_nonpolymer_components 1
_Entity.Paramagnetic .
_Entity.Thiol_state .
_Entity.Src_method .
_Entity.Parent_entity_ID 3
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 65.409
_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
'ZINC ION' BMRB 18650 3
stop_
loop_
_Entity_systematic_name.Name
_Entity_systematic_name.Naming_system
_Entity_systematic_name.Entry_ID
_Entity_systematic_name.Entity_ID
'ZINC ION' BMRB 18650 3
ZN 'Three letter code' 18650 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 1 ZN $chem_comp_ZN 18650 3
stop_
loop_
_Entity_atom_list.ID
_Entity_atom_list.Comp_index_ID
_Entity_atom_list.Comp_ID
_Entity_atom_list.Atom_ID
_Entity_atom_list.Entry_ID
_Entity_atom_list.Entity_ID
1 1 ZN ZN 18650 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 18650
_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 $TAZ1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 18650 1
2 2 $RelA-TA2 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 18650 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 18650
_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 $TAZ1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . PET . . . . . . 18650 1
2 2 $RelA-TA2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . PET . . . . . . 18650 1
stop_
save_
#################################
# Polymer residues and ligands #
#################################
save_chem_comp_ZN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ZN
_Chem_comp.Entry_ID 18650
_Chem_comp.ID ZN
_Chem_comp.Provenance PDB
_Chem_comp.Name 'ZINC ION'
_Chem_comp.Type NON-POLYMER
_Chem_comp.BMRB_code ZN
_Chem_comp.PDB_code ZN
_Chem_comp.Ambiguous_flag no
_Chem_comp.Initial_date 2012-04-05
_Chem_comp.Modified_date 2012-04-05
_Chem_comp.Release_status REL
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code ZN
_Chem_comp.Number_atoms_all 1
_Chem_comp.Number_atoms_nh 1
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code InChI=1S/Zn/q+2
_Chem_comp.Mon_nstd_flag .
_Chem_comp.Mon_nstd_class .
_Chem_comp.Mon_nstd_details .
_Chem_comp.Mon_nstd_parent .
_Chem_comp.Mon_nstd_parent_comp_ID .
_Chem_comp.Std_deriv_one_letter_code .
_Chem_comp.Std_deriv_three_letter_code .
_Chem_comp.Std_deriv_BMRB_code .
_Chem_comp.Std_deriv_PDB_code .
_Chem_comp.Std_deriv_chem_comp_name .
_Chem_comp.Synonyms .
_Chem_comp.Formal_charge 2
_Chem_comp.Paramagnetic .
_Chem_comp.Aromatic no
_Chem_comp.Formula Zn
_Chem_comp.Formula_weight 65.409
_Chem_comp.Formula_mono_iso_wt_nat .
_Chem_comp.Formula_mono_iso_wt_13C .
_Chem_comp.Formula_mono_iso_wt_15N .
_Chem_comp.Formula_mono_iso_wt_13C_15N .
_Chem_comp.Image_file_name .
_Chem_comp.Image_file_format .
_Chem_comp.Topo_file_name .
_Chem_comp.Topo_file_format .
_Chem_comp.Struct_file_name .
_Chem_comp.Struct_file_format .
_Chem_comp.Stereochem_param_file_name .
_Chem_comp.Stereochem_param_file_format .
_Chem_comp.Model_details .
_Chem_comp.Model_erf .
_Chem_comp.Model_source .
_Chem_comp.Model_coordinates_details .
_Chem_comp.Model_coordinates_missing_flag no
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag no
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site RCSB
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details .
_Chem_comp.DB_query_date .
_Chem_comp.DB_last_query_revised_last_date .
loop_
_Chem_comp_descriptor.Descriptor
_Chem_comp_descriptor.Type
_Chem_comp_descriptor.Program
_Chem_comp_descriptor.Program_version
_Chem_comp_descriptor.Entry_ID
_Chem_comp_descriptor.Comp_ID
InChI=1S/Zn/q+2 InChI InChI 1.03 18650 ZN
PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18650 ZN
[Zn++] SMILES CACTVS 3.341 18650 ZN
[Zn++] SMILES_CANONICAL CACTVS 3.341 18650 ZN
[Zn+2] SMILES ACDLabs 10.04 18650 ZN
[Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18650 ZN
[Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18650 ZN
stop_
loop_
_Chem_comp_identifier.Identifier
_Chem_comp_identifier.Type
_Chem_comp_identifier.Program
_Chem_comp_identifier.Program_version
_Chem_comp_identifier.Entry_ID
_Chem_comp_identifier.Comp_ID
zinc 'SYSTEMATIC NAME' ACDLabs 10.04 18650 ZN
'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18650 ZN
stop_
loop_
_Chem_comp_atom.Atom_ID
_Chem_comp_atom.BMRB_code
_Chem_comp_atom.PDB_atom_ID
_Chem_comp_atom.Alt_atom_ID
_Chem_comp_atom.Auth_atom_ID
_Chem_comp_atom.Type_symbol
_Chem_comp_atom.Isotope_number
_Chem_comp_atom.Chirality
_Chem_comp_atom.Stereo_config
_Chem_comp_atom.Charge
_Chem_comp_atom.Partial_charge
_Chem_comp_atom.Oxidation_number
_Chem_comp_atom.Unpaired_electron_number
_Chem_comp_atom.Align
_Chem_comp_atom.Aromatic_flag
_Chem_comp_atom.Leaving_atom_flag
_Chem_comp_atom.Substruct_code
_Chem_comp_atom.Ionizable
_Chem_comp_atom.Drawing_2D_coord_x
_Chem_comp_atom.Drawing_2D_coord_y
_Chem_comp_atom.Model_Cartn_x
_Chem_comp_atom.Model_Cartn_x_esd
_Chem_comp_atom.Model_Cartn_y
_Chem_comp_atom.Model_Cartn_y_esd
_Chem_comp_atom.Model_Cartn_z
_Chem_comp_atom.Model_Cartn_z_esd
_Chem_comp_atom.Model_Cartn_x_ideal
_Chem_comp_atom.Model_Cartn_y_ideal
_Chem_comp_atom.Model_Cartn_z_ideal
_Chem_comp_atom.PDBX_ordinal
_Chem_comp_atom.Details
_Chem_comp_atom.Entry_ID
_Chem_comp_atom.Comp_ID
ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18650 ZN
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 18650
_Sample.ID 1
_Sample.Type solution
_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 TAZ1 '[U-13C; U-15N]' . . 1 $TAZ1 . . . 0.8 1.1 mM . . . . 18650 1
2 RelA-TA2 'natural abundance' . . 2 $RelA-TA2 . . . 1.2 1.5 mM . . . . 18650 1
3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18650 1
4 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18650 1
5 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 18650 1
6 D2O [U-2H] . . . . . . 5 . . % . . . . 18650 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 18650
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '100% 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 TAZ1 [U-13C] . . 1 $TAZ1 . . . 0.8 1.1 mM . . . . 18650 2
2 RelA-TA2 'natural abundance' . . 2 $RelA-TA2 . . . 1.2 1.5 mM . . . . 18650 2
3 DTT [U-2H] . . . . . . 2 . . mM . . . . 18650 2
4 TRIS [U-2H] . . . . . . 20 . . mM . . . . 18650 2
5 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 18650 2
6 D2O [U-2H] . . . . . . 99.8 . . % . . . . 18650 2
stop_
save_
save_sample_3
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3
_Sample.Entry_ID 18650
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '100% 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 RelA-TA2 [U-13C] . . 2 $RelA-TA2 . . . 0.7 0.9 mM . . . . 18650 3
2 TAZ1 'natural abundance' . . 1 $TAZ1 . . . 1.5 1.8 mM . . . . 18650 3
3 DTT [U-2H] . . . . . . 2 . . mM . . . . 18650 3
4 TRIS [U-2H] . . . . . . 20 . . mM . . . . 18650 3
5 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 18650 3
6 D2O [U-2H] . . . . . . 99.8 . . % . . . . 18650 3
stop_
save_
save_sample_4
_Sample.Sf_category sample
_Sample.Sf_framecode sample_4
_Sample.Entry_ID 18650
_Sample.ID 4
_Sample.Type solution
_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 RelA-TA2 '[U-13C; U-15N]' . . 2 $RelA-TA2 . . . 0.7 0.9 mM . . . . 18650 4
2 TAZ1 'natural abundance' . . 1 $TAZ1 . . . 1.5 1.8 mM . . . . 18650 4
3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18650 4
4 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18650 4
5 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 18650 4
6 D2O [U-2H] . . . . . . 5 . . % . . . . 18650 4
7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18650 4
stop_
save_
save_sample_5
_Sample.Sf_category sample
_Sample.Sf_framecode sample_5
_Sample.Entry_ID 18650
_Sample.ID 5
_Sample.Type solution
_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 TAZ1 [U-15N] . . 1 $TAZ1 . . . 0.8 1.1 mM . . . . 18650 5
2 RelA-TA2 'natural abundance' . . 2 $RelA-TA2 . . . 1.2 1.5 mM . . . . 18650 5
3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18650 5
4 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18650 5
5 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 18650 5
6 D2O [U-2H] . . . . . . 5 . . % . . . . 18650 5
7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18650 5
stop_
save_
save_sample_6
_Sample.Sf_category sample
_Sample.Sf_framecode sample_6
_Sample.Entry_ID 18650
_Sample.ID 6
_Sample.Type solution
_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 RelA-TA2 [U-15N] . . 2 $RelA-TA2 . . . 0.7 0.9 mM . . . . 18650 6
2 TAZ1 'natural abundance' . . 1 $TAZ1 . . . 1.5 1.8 mM . . . . 18650 6
3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18650 6
4 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18650 6
5 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 18650 6
6 D2O [U-2H] . . . . . . 5 . . % . . . . 18650 6
7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18650 6
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 18650
_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
'ionic strength' 40 . mM 18650 1
pH 6.5 . pH 18650 1
pressure 1 . atm 18650 1
temperature 298 . K 18650 1
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 18650
_Software.ID 1
_Software.Name CYANA
_Software.Version 2.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 18650 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 18650 1
stop_
save_
save_AMBER
_Software.Sf_category software
_Software.Sf_framecode AMBER
_Software.Entry_ID 18650
_Software.ID 2
_Software.Name AMBER
_Software.Version 10
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 18650 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 18650 2
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 18650
_Software.ID 3
_Software.Name NMRPipe
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18650 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 18650 3
stop_
save_
save_CARA
_Software.Sf_category software
_Software.Sf_framecode CARA
_Software.Entry_ID 18650
_Software.ID 4
_Software.Name CARA
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Keller and Wuthrich' . . 18650 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 18650 4
'data analysis' 18650 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 18650
_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 18650
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 900
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 18650
_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 . . . 18650 1
2 spectrometer_2 Bruker Avance . 900 . . . 18650 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 18650
_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 HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
4 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
5 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
6 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
7 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
8 '3D 1H-15N TOCSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
9 '3D 1H-15N NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
10 '12C-filtered-13C-edited NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18650 1
11 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
12 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
13 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
14 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
15 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
16 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
17 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
18 '3D HCCH-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
19 '3D 1H-15N NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
20 '3D 1H-15N TOCSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
21 '12C-filtered-13C-edited NOESY-HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18650 1
22 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
23 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 1
24 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18650 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 18650
_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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18650 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18650 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18650 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 18650
_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 '3D HNCO' . . . 18650 1
2 '3D HNCA' . . . 18650 1
3 '3D HNCACB' . . . 18650 1
4 '3D HCCH-COSY' . . . 18650 1
5 '3D 1H-13C NOESY' . . . 18650 1
8 '3D 1H-15N TOCSY' . . . 18650 1
9 '3D 1H-15N NOESY' . . . 18650 1
10 '12C-filtered-13C-edited NOESY-HSQC' . . . 18650 1
11 '2D 1H-13C HSQC aromatic' . . . 18650 1
12 '3D HNCO' . . . 18650 1
13 '3D HNCA' . . . 18650 1
14 '3D HNCACB' . . . 18650 1
15 '3D CBCA(CO)NH' . . . 18650 1
16 '3D CBCA(CO)NH' . . . 18650 1
17 '3D 1H-13C NOESY' . . . 18650 1
18 '3D HCCH-COSY' . . . 18650 1
19 '3D 1H-15N NOESY' . . . 18650 1
20 '3D 1H-15N TOCSY' . . . 18650 1
23 '2D 1H-15N HSQC' . . . 18650 1
24 '2D 1H-13C HSQC aromatic' . . . 18650 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 ALA HA H 1 4.156 0.01 . . . . . A 340 ALA HA . 18650 1
2 . 1 1 1 1 ALA HB1 H 1 1.538 0.01 . . . . . A 340 ALA HB1 . 18650 1
3 . 1 1 1 1 ALA HB2 H 1 1.538 0.01 . . . . . A 340 ALA HB2 . 18650 1
4 . 1 1 1 1 ALA HB3 H 1 1.538 0.01 . . . . . A 340 ALA HB3 . 18650 1
5 . 1 1 1 1 ALA CA C 13 51.700 0.25 . . . . . A 340 ALA CA . 18650 1
6 . 1 1 1 1 ALA CB C 13 19.577 0.25 . . . . . A 340 ALA CB . 18650 1
7 . 1 1 2 2 THR H H 1 8.314 0.01 . . . . . A 341 THR H . 18650 1
8 . 1 1 2 2 THR HA H 1 4.437 0.01 . . . . . A 341 THR HA . 18650 1
9 . 1 1 2 2 THR HB H 1 4.229 0.01 . . . . . A 341 THR HB . 18650 1
10 . 1 1 2 2 THR HG21 H 1 1.241 0.01 . . . . . A 341 THR HG21 . 18650 1
11 . 1 1 2 2 THR HG22 H 1 1.241 0.01 . . . . . A 341 THR HG22 . 18650 1
12 . 1 1 2 2 THR HG23 H 1 1.241 0.01 . . . . . A 341 THR HG23 . 18650 1
13 . 1 1 2 2 THR CA C 13 61.605 0.25 . . . . . A 341 THR CA . 18650 1
14 . 1 1 2 2 THR CB C 13 69.735 0.25 . . . . . A 341 THR CB . 18650 1
15 . 1 1 2 2 THR CG2 C 13 21.328 0.25 . . . . . A 341 THR CG2 . 18650 1
16 . 1 1 2 2 THR N N 15 117.751 0.25 . . . . . A 341 THR N . 18650 1
17 . 1 1 3 3 GLY H H 1 8.431 0.01 . . . . . A 342 GLY H . 18650 1
18 . 1 1 3 3 GLY HA2 H 1 4.129 0.01 . . . . . A 342 GLY HA2 . 18650 2
19 . 1 1 3 3 GLY HA3 H 1 4.201 0.01 . . . . . A 342 GLY HA3 . 18650 2
20 . 1 1 3 3 GLY CA C 13 44.456 0.25 . . . . . A 342 GLY CA . 18650 1
21 . 1 1 3 3 GLY N N 15 111.551 0.25 . . . . . A 342 GLY N . 18650 1
22 . 1 1 4 4 PRO HA H 1 4.508 0.01 . . . . . A 343 PRO HA . 18650 1
23 . 1 1 4 4 PRO HB2 H 1 1.913 0.01 . . . . . A 343 PRO HB2 . 18650 1
24 . 1 1 4 4 PRO HB3 H 1 2.286 0.01 . . . . . A 343 PRO HB3 . 18650 1
25 . 1 1 4 4 PRO HG2 H 1 1.939 0.01 . . . . . A 343 PRO HG2 . 18650 1
26 . 1 1 4 4 PRO HG3 H 1 2.027 0.01 . . . . . A 343 PRO HG3 . 18650 1
27 . 1 1 4 4 PRO HD2 H 1 3.642 0.01 . . . . . A 343 PRO HD2 . 18650 1
28 . 1 1 4 4 PRO HD3 H 1 3.684 0.01 . . . . . A 343 PRO HD3 . 18650 1
29 . 1 1 4 4 PRO CA C 13 63.269 0.25 . . . . . A 343 PRO CA . 18650 1
30 . 1 1 4 4 PRO CB C 13 32.188 0.25 . . . . . A 343 PRO CB . 18650 1
31 . 1 1 4 4 PRO CG C 13 32.154 0.25 . . . . . A 343 PRO CG . 18650 1
32 . 1 1 4 4 PRO CD C 13 49.801 0.25 . . . . . A 343 PRO CD . 18650 1
33 . 1 1 5 5 THR H H 1 8.314 0.01 . . . . . A 344 THR H . 18650 1
34 . 1 1 5 5 THR HA H 1 4.307 0.01 . . . . . A 344 THR HA . 18650 1
35 . 1 1 5 5 THR HB H 1 4.199 0.01 . . . . . A 344 THR HB . 18650 1
36 . 1 1 5 5 THR HG21 H 1 1.219 0.01 . . . . . A 344 THR HG21 . 18650 1
37 . 1 1 5 5 THR HG22 H 1 1.219 0.01 . . . . . A 344 THR HG22 . 18650 1
38 . 1 1 5 5 THR HG23 H 1 1.219 0.01 . . . . . A 344 THR HG23 . 18650 1
39 . 1 1 5 5 THR CA C 13 61.581 0.25 . . . . . A 344 THR CA . 18650 1
40 . 1 1 5 5 THR CB C 13 69.585 0.25 . . . . . A 344 THR CB . 18650 1
41 . 1 1 5 5 THR CG2 C 13 21.507 0.25 . . . . . A 344 THR CG2 . 18650 1
42 . 1 1 5 5 THR N N 15 113.817 0.25 . . . . . A 344 THR N . 18650 1
43 . 1 1 6 6 ALA H H 1 8.358 0.01 . . . . . A 345 ALA H . 18650 1
44 . 1 1 6 6 ALA HA H 1 4.373 0.01 . . . . . A 345 ALA HA . 18650 1
45 . 1 1 6 6 ALA HB1 H 1 1.343 0.01 . . . . . A 345 ALA HB1 . 18650 1
46 . 1 1 6 6 ALA HB2 H 1 1.343 0.01 . . . . . A 345 ALA HB2 . 18650 1
47 . 1 1 6 6 ALA HB3 H 1 1.343 0.01 . . . . . A 345 ALA HB3 . 18650 1
48 . 1 1 6 6 ALA CA C 13 51.845 0.25 . . . . . A 345 ALA CA . 18650 1
49 . 1 1 6 6 ALA CB C 13 19.249 0.25 . . . . . A 345 ALA CB . 18650 1
50 . 1 1 6 6 ALA N N 15 126.160 0.25 . . . . . A 345 ALA N . 18650 1
51 . 1 1 7 7 ASP H H 1 8.406 0.01 . . . . . A 346 ASP H . 18650 1
52 . 1 1 7 7 ASP HA H 1 4.812 0.01 . . . . . A 346 ASP HA . 18650 1
53 . 1 1 7 7 ASP HB2 H 1 2.767 0.01 . . . . . A 346 ASP HB2 . 18650 2
54 . 1 1 7 7 ASP HB3 H 1 2.767 0.01 . . . . . A 346 ASP HB3 . 18650 2
55 . 1 1 7 7 ASP CA C 13 53.101 0.25 . . . . . A 346 ASP CA . 18650 1
56 . 1 1 7 7 ASP CB C 13 40.763 0.25 . . . . . A 346 ASP CB . 18650 1
57 . 1 1 7 7 ASP N N 15 121.643 0.25 . . . . . A 346 ASP N . 18650 1
58 . 1 1 8 8 PRO HA H 1 4.197 0.01 . . . . . A 347 PRO HA . 18650 1
59 . 1 1 8 8 PRO HB2 H 1 2.377 0.01 . . . . . A 347 PRO HB2 . 18650 1
60 . 1 1 8 8 PRO HB3 H 1 2.018 0.01 . . . . . A 347 PRO HB3 . 18650 1
61 . 1 1 8 8 PRO HG2 H 1 2.052 0.01 . . . . . A 347 PRO HG2 . 18650 1
62 . 1 1 8 8 PRO HG3 H 1 2.181 0.01 . . . . . A 347 PRO HG3 . 18650 1
63 . 1 1 8 8 PRO HD2 H 1 3.892 0.01 . . . . . A 347 PRO HD2 . 18650 1
64 . 1 1 8 8 PRO HD3 H 1 3.928 0.01 . . . . . A 347 PRO HD3 . 18650 1
65 . 1 1 8 8 PRO CA C 13 65.248 0.25 . . . . . A 347 PRO CA . 18650 1
66 . 1 1 8 8 PRO CB C 13 31.905 0.25 . . . . . A 347 PRO CB . 18650 1
67 . 1 1 8 8 PRO CG C 13 27.635 0.25 . . . . . A 347 PRO CG . 18650 1
68 . 1 1 8 8 PRO CD C 13 50.749 0.25 . . . . . A 347 PRO CD . 18650 1
69 . 1 1 9 9 GLU H H 1 8.310 0.01 . . . . . A 348 GLU H . 18650 1
70 . 1 1 9 9 GLU HA H 1 4.135 0.01 . . . . . A 348 GLU HA . 18650 1
71 . 1 1 9 9 GLU HB2 H 1 2.127 0.01 . . . . . A 348 GLU HB2 . 18650 2
72 . 1 1 9 9 GLU HB3 H 1 2.097 0.01 . . . . . A 348 GLU HB3 . 18650 2
73 . 1 1 9 9 GLU HG2 H 1 2.352 0.01 . . . . . A 348 GLU HG2 . 18650 2
74 . 1 1 9 9 GLU HG3 H 1 2.298 0.01 . . . . . A 348 GLU HG3 . 18650 2
75 . 1 1 9 9 GLU CA C 13 58.663 0.25 . . . . . A 348 GLU CA . 18650 1
76 . 1 1 9 9 GLU CB C 13 28.841 0.25 . . . . . A 348 GLU CB . 18650 1
77 . 1 1 9 9 GLU CG C 13 36.326 0.25 . . . . . A 348 GLU CG . 18650 1
78 . 1 1 9 9 GLU N N 15 118.382 0.25 . . . . . A 348 GLU N . 18650 1
79 . 1 1 10 10 LYS H H 1 8.007 0.01 . . . . . A 349 LYS H . 18650 1
80 . 1 1 10 10 LYS HA H 1 4.096 0.01 . . . . . A 349 LYS HA . 18650 1
81 . 1 1 10 10 LYS HB2 H 1 1.726 0.01 . . . . . A 349 LYS HB2 . 18650 2
82 . 1 1 10 10 LYS HB3 H 1 1.864 0.01 . . . . . A 349 LYS HB3 . 18650 2
83 . 1 1 10 10 LYS HG2 H 1 1.420 0.01 . . . . . A 349 LYS HG2 . 18650 2
84 . 1 1 10 10 LYS HG3 H 1 1.557 0.01 . . . . . A 349 LYS HG3 . 18650 2
85 . 1 1 10 10 LYS HD2 H 1 1.557 0.01 . . . . . A 349 LYS HD2 . 18650 2
86 . 1 1 10 10 LYS HD3 H 1 1.557 0.01 . . . . . A 349 LYS HD3 . 18650 2
87 . 1 1 10 10 LYS HE2 H 1 3.009 0.01 . . . . . A 349 LYS HE2 . 18650 2
88 . 1 1 10 10 LYS HE3 H 1 3.090 0.01 . . . . . A 349 LYS HE3 . 18650 2
89 . 1 1 10 10 LYS CA C 13 58.863 0.25 . . . . . A 349 LYS CA . 18650 1
90 . 1 1 10 10 LYS CB C 13 31.226 0.25 . . . . . A 349 LYS CB . 18650 1
91 . 1 1 10 10 LYS CG C 13 25.290 0.25 . . . . . A 349 LYS CG . 18650 1
92 . 1 1 10 10 LYS CD C 13 27.581 0.25 . . . . . A 349 LYS CD . 18650 1
93 . 1 1 10 10 LYS CE C 13 42.005 0.25 . . . . . A 349 LYS CE . 18650 1
94 . 1 1 10 10 LYS N N 15 121.460 0.25 . . . . . A 349 LYS N . 18650 1
95 . 1 1 11 11 ARG H H 1 8.187 0.01 . . . . . A 350 ARG H . 18650 1
96 . 1 1 11 11 ARG HA H 1 3.720 0.01 . . . . . A 350 ARG HA . 18650 1
97 . 1 1 11 11 ARG HB2 H 1 1.888 0.01 . . . . . A 350 ARG HB2 . 18650 2
98 . 1 1 11 11 ARG HB3 H 1 1.888 0.01 . . . . . A 350 ARG HB3 . 18650 2
99 . 1 1 11 11 ARG HG2 H 1 1.403 0.01 . . . . . A 350 ARG HG2 . 18650 2
100 . 1 1 11 11 ARG HG3 H 1 1.670 0.01 . . . . . A 350 ARG HG3 . 18650 2
101 . 1 1 11 11 ARG HD2 H 1 3.028 0.01 . . . . . A 350 ARG HD2 . 18650 2
102 . 1 1 11 11 ARG HD3 H 1 3.195 0.01 . . . . . A 350 ARG HD3 . 18650 2
103 . 1 1 11 11 ARG CA C 13 59.342 0.25 . . . . . A 350 ARG CA . 18650 1
104 . 1 1 11 11 ARG CB C 13 30.045 0.25 . . . . . A 350 ARG CB . 18650 1
105 . 1 1 11 11 ARG CG C 13 27.601 0.25 . . . . . A 350 ARG CG . 18650 1
106 . 1 1 11 11 ARG CD C 13 43.570 0.25 . . . . . A 350 ARG CD . 18650 1
107 . 1 1 11 11 ARG N N 15 117.575 0.25 . . . . . A 350 ARG N . 18650 1
108 . 1 1 12 12 LYS H H 1 7.744 0.01 . . . . . A 351 LYS H . 18650 1
109 . 1 1 12 12 LYS HA H 1 4.152 0.01 . . . . . A 351 LYS HA . 18650 1
110 . 1 1 12 12 LYS HB2 H 1 1.921 0.01 . . . . . A 351 LYS HB2 . 18650 2
111 . 1 1 12 12 LYS HB3 H 1 1.921 0.01 . . . . . A 351 LYS HB3 . 18650 2
112 . 1 1 12 12 LYS HG2 H 1 1.417 0.01 . . . . . A 351 LYS HG2 . 18650 2
113 . 1 1 12 12 LYS HG3 H 1 1.577 0.01 . . . . . A 351 LYS HG3 . 18650 2
114 . 1 1 12 12 LYS HD2 H 1 1.717 0.01 . . . . . A 351 LYS HD2 . 18650 2
115 . 1 1 12 12 LYS HD3 H 1 1.717 0.01 . . . . . A 351 LYS HD3 . 18650 2
116 . 1 1 12 12 LYS HE2 H 1 2.941 0.01 . . . . . A 351 LYS HE2 . 18650 2
117 . 1 1 12 12 LYS HE3 H 1 2.941 0.01 . . . . . A 351 LYS HE3 . 18650 2
118 . 1 1 12 12 LYS CA C 13 58.979 0.25 . . . . . A 351 LYS CA . 18650 1
119 . 1 1 12 12 LYS CB C 13 32.147 0.25 . . . . . A 351 LYS CB . 18650 1
120 . 1 1 12 12 LYS CG C 13 24.900 0.25 . . . . . A 351 LYS CG . 18650 1
121 . 1 1 12 12 LYS CD C 13 29.110 0.25 . . . . . A 351 LYS CD . 18650 1
122 . 1 1 12 12 LYS CE C 13 41.941 0.25 . . . . . A 351 LYS CE . 18650 1
123 . 1 1 12 12 LYS N N 15 118.644 0.25 . . . . . A 351 LYS N . 18650 1
124 . 1 1 13 13 LEU H H 1 8.065 0.01 . . . . . A 352 LEU H . 18650 1
125 . 1 1 13 13 LEU HA H 1 3.895 0.01 . . . . . A 352 LEU HA . 18650 1
126 . 1 1 13 13 LEU HB2 H 1 1.130 0.01 . . . . . A 352 LEU HB2 . 18650 2
127 . 1 1 13 13 LEU HB3 H 1 2.085 0.01 . . . . . A 352 LEU HB3 . 18650 2
128 . 1 1 13 13 LEU HG H 1 1.813 0.01 . . . . . A 352 LEU HG . 18650 1
129 . 1 1 13 13 LEU HD11 H 1 0.910 0.01 . . . . . A 352 LEU HD11 . 18650 1
130 . 1 1 13 13 LEU HD12 H 1 0.910 0.01 . . . . . A 352 LEU HD12 . 18650 1
131 . 1 1 13 13 LEU HD13 H 1 0.910 0.01 . . . . . A 352 LEU HD13 . 18650 1
132 . 1 1 13 13 LEU HD21 H 1 0.995 0.01 . . . . . A 352 LEU HD21 . 18650 1
133 . 1 1 13 13 LEU HD22 H 1 0.995 0.01 . . . . . A 352 LEU HD22 . 18650 1
134 . 1 1 13 13 LEU HD23 H 1 0.995 0.01 . . . . . A 352 LEU HD23 . 18650 1
135 . 1 1 13 13 LEU CA C 13 58.800 0.25 . . . . . A 352 LEU CA . 18650 1
136 . 1 1 13 13 LEU CB C 13 42.730 0.25 . . . . . A 352 LEU CB . 18650 1
137 . 1 1 13 13 LEU CG C 13 26.889 0.25 . . . . . A 352 LEU CG . 18650 1
138 . 1 1 13 13 LEU CD1 C 13 25.905 0.25 . . . . . A 352 LEU CD1 . 18650 2
139 . 1 1 13 13 LEU CD2 C 13 24.984 0.25 . . . . . A 352 LEU CD2 . 18650 2
140 . 1 1 13 13 LEU N N 15 126.625 0.25 . . . . . A 352 LEU N . 18650 1
141 . 1 1 14 14 ILE H H 1 8.182 0.01 . . . . . A 353 ILE H . 18650 1
142 . 1 1 14 14 ILE HA H 1 3.494 0.01 . . . . . A 353 ILE HA . 18650 1
143 . 1 1 14 14 ILE HB H 1 1.927 0.01 . . . . . A 353 ILE HB . 18650 1
144 . 1 1 14 14 ILE HG12 H 1 0.776 0.01 . . . . . A 353 ILE HG12 . 18650 1
145 . 1 1 14 14 ILE HG13 H 1 1.848 0.01 . . . . . A 353 ILE HG13 . 18650 1
146 . 1 1 14 14 ILE HG21 H 1 0.747 0.01 . . . . . A 353 ILE HG21 . 18650 1
147 . 1 1 14 14 ILE HG22 H 1 0.747 0.01 . . . . . A 353 ILE HG22 . 18650 1
148 . 1 1 14 14 ILE HG23 H 1 0.747 0.01 . . . . . A 353 ILE HG23 . 18650 1
149 . 1 1 14 14 ILE HD11 H 1 0.722 0.01 . . . . . A 353 ILE HD11 . 18650 1
150 . 1 1 14 14 ILE HD12 H 1 0.722 0.01 . . . . . A 353 ILE HD12 . 18650 1
151 . 1 1 14 14 ILE HD13 H 1 0.722 0.01 . . . . . A 353 ILE HD13 . 18650 1
152 . 1 1 14 14 ILE CA C 13 65.043 0.25 . . . . . A 353 ILE CA . 18650 1
153 . 1 1 14 14 ILE CB C 13 37.303 0.25 . . . . . A 353 ILE CB . 18650 1
154 . 1 1 14 14 ILE CG1 C 13 29.368 0.25 . . . . . A 353 ILE CG1 . 18650 1
155 . 1 1 14 14 ILE CG2 C 13 17.527 0.25 . . . . . A 353 ILE CG2 . 18650 1
156 . 1 1 14 14 ILE CD1 C 13 13.969 0.25 . . . . . A 353 ILE CD1 . 18650 1
157 . 1 1 14 14 ILE N N 15 119.888 0.25 . . . . . A 353 ILE N . 18650 1
158 . 1 1 15 15 GLN H H 1 8.238 0.01 . . . . . A 354 GLN H . 18650 1
159 . 1 1 15 15 GLN HA H 1 3.687 0.01 . . . . . A 354 GLN HA . 18650 1
160 . 1 1 15 15 GLN HB2 H 1 2.116 0.01 . . . . . A 354 GLN HB2 . 18650 2
161 . 1 1 15 15 GLN HB3 H 1 1.936 0.01 . . . . . A 354 GLN HB3 . 18650 2
162 . 1 1 15 15 GLN HG2 H 1 2.352 0.01 . . . . . A 354 GLN HG2 . 18650 2
163 . 1 1 15 15 GLN HG3 H 1 2.581 0.01 . . . . . A 354 GLN HG3 . 18650 2
164 . 1 1 15 15 GLN HE21 H 1 7.271 0.01 . . . . . A 354 GLN HE21 . 18650 2
165 . 1 1 15 15 GLN HE22 H 1 6.781 0.01 . . . . . A 354 GLN HE22 . 18650 2
166 . 1 1 15 15 GLN CA C 13 59.532 0.25 . . . . . A 354 GLN CA . 18650 1
167 . 1 1 15 15 GLN CB C 13 29.782 0.25 . . . . . A 354 GLN CB . 18650 1
168 . 1 1 15 15 GLN CG C 13 34.619 0.25 . . . . . A 354 GLN CG . 18650 1
169 . 1 1 15 15 GLN N N 15 117.890 0.25 . . . . . A 354 GLN N . 18650 1
170 . 1 1 15 15 GLN NE2 N 15 109.664 0.25 . . . . . A 354 GLN NE2 . 18650 1
171 . 1 1 16 16 GLN H H 1 8.524 0.01 . . . . . A 355 GLN H . 18650 1
172 . 1 1 16 16 GLN HA H 1 3.892 0.01 . . . . . A 355 GLN HA . 18650 1
173 . 1 1 16 16 GLN HB2 H 1 2.409 0.01 . . . . . A 355 GLN HB2 . 18650 2
174 . 1 1 16 16 GLN HB3 H 1 2.086 0.01 . . . . . A 355 GLN HB3 . 18650 2
175 . 1 1 16 16 GLN HG2 H 1 2.305 0.01 . . . . . A 355 GLN HG2 . 18650 2
176 . 1 1 16 16 GLN HG3 H 1 2.697 0.01 . . . . . A 355 GLN HG3 . 18650 2
177 . 1 1 16 16 GLN HE21 H 1 6.706 0.01 . . . . . A 355 GLN HE21 . 18650 2
178 . 1 1 16 16 GLN HE22 H 1 7.124 0.01 . . . . . A 355 GLN HE22 . 18650 2
179 . 1 1 16 16 GLN CA C 13 59.379 0.25 . . . . . A 355 GLN CA . 18650 1
180 . 1 1 16 16 GLN CB C 13 29.287 0.25 . . . . . A 355 GLN CB . 18650 1
181 . 1 1 16 16 GLN CG C 13 34.883 0.25 . . . . . A 355 GLN CG . 18650 1
182 . 1 1 16 16 GLN N N 15 116.823 0.25 . . . . . A 355 GLN N . 18650 1
183 . 1 1 16 16 GLN NE2 N 15 108.407 0.25 . . . . . A 355 GLN NE2 . 18650 1
184 . 1 1 17 17 GLN H H 1 7.775 0.01 . . . . . A 356 GLN H . 18650 1
185 . 1 1 17 17 GLN HA H 1 4.099 0.01 . . . . . A 356 GLN HA . 18650 1
186 . 1 1 17 17 GLN HB3 H 1 1.716 0.01 . . . . . A 356 GLN HB3 . 18650 2
187 . 1 1 17 17 GLN HG3 H 1 1.907 0.01 . . . . . A 356 GLN HG3 . 18650 2
188 . 1 1 17 17 GLN HE21 H 1 6.784 0.01 . . . . . A 356 GLN HE21 . 18650 2
189 . 1 1 17 17 GLN HE22 H 1 7.264 0.01 . . . . . A 356 GLN HE22 . 18650 2
190 . 1 1 17 17 GLN CA C 13 59.067 0.25 . . . . . A 356 GLN CA . 18650 1
191 . 1 1 17 17 GLN CB C 13 29.241 0.25 . . . . . A 356 GLN CB . 18650 1
192 . 1 1 17 17 GLN CG C 13 32.272 0.25 . . . . . A 356 GLN CG . 18650 1
193 . 1 1 17 17 GLN N N 15 120.253 0.25 . . . . . A 356 GLN N . 18650 1
194 . 1 1 17 17 GLN NE2 N 15 109.713 0.25 . . . . . A 356 GLN NE2 . 18650 1
195 . 1 1 18 18 LEU H H 1 8.432 0.01 . . . . . A 357 LEU H . 18650 1
196 . 1 1 18 18 LEU HA H 1 3.882 0.01 . . . . . A 357 LEU HA . 18650 1
197 . 1 1 18 18 LEU HB2 H 1 1.287 0.01 . . . . . A 357 LEU HB2 . 18650 2
198 . 1 1 18 18 LEU HB3 H 1 1.706 0.01 . . . . . A 357 LEU HB3 . 18650 2
199 . 1 1 18 18 LEU HG H 1 1.337 0.01 . . . . . A 357 LEU HG . 18650 1
200 . 1 1 18 18 LEU HD11 H 1 0.557 0.01 . . . . . A 357 LEU HD11 . 18650 1
201 . 1 1 18 18 LEU HD12 H 1 0.557 0.01 . . . . . A 357 LEU HD12 . 18650 1
202 . 1 1 18 18 LEU HD13 H 1 0.557 0.01 . . . . . A 357 LEU HD13 . 18650 1
203 . 1 1 18 18 LEU HD21 H 1 0.052 0.01 . . . . . A 357 LEU HD21 . 18650 1
204 . 1 1 18 18 LEU HD22 H 1 0.052 0.01 . . . . . A 357 LEU HD22 . 18650 1
205 . 1 1 18 18 LEU HD23 H 1 0.052 0.01 . . . . . A 357 LEU HD23 . 18650 1
206 . 1 1 18 18 LEU CA C 13 57.968 0.25 . . . . . A 357 LEU CA . 18650 1
207 . 1 1 18 18 LEU CB C 13 41.309 0.25 . . . . . A 357 LEU CB . 18650 1
208 . 1 1 18 18 LEU CG C 13 26.516 0.25 . . . . . A 357 LEU CG . 18650 1
209 . 1 1 18 18 LEU CD1 C 13 22.660 0.25 . . . . . A 357 LEU CD1 . 18650 2
210 . 1 1 18 18 LEU CD2 C 13 25.319 0.25 . . . . . A 357 LEU CD2 . 18650 2
211 . 1 1 18 18 LEU N N 15 118.303 0.25 . . . . . A 357 LEU N . 18650 1
212 . 1 1 19 19 VAL H H 1 8.468 0.01 . . . . . A 358 VAL H . 18650 1
213 . 1 1 19 19 VAL HA H 1 3.204 0.01 . . . . . A 358 VAL HA . 18650 1
214 . 1 1 19 19 VAL HB H 1 1.954 0.01 . . . . . A 358 VAL HB . 18650 1
215 . 1 1 19 19 VAL HG11 H 1 0.843 0.01 . . . . . A 358 VAL HG11 . 18650 1
216 . 1 1 19 19 VAL HG12 H 1 0.843 0.01 . . . . . A 358 VAL HG12 . 18650 1
217 . 1 1 19 19 VAL HG13 H 1 0.843 0.01 . . . . . A 358 VAL HG13 . 18650 1
218 . 1 1 19 19 VAL HG21 H 1 0.821 0.01 . . . . . A 358 VAL HG21 . 18650 1
219 . 1 1 19 19 VAL HG22 H 1 0.821 0.01 . . . . . A 358 VAL HG22 . 18650 1
220 . 1 1 19 19 VAL HG23 H 1 0.821 0.01 . . . . . A 358 VAL HG23 . 18650 1
221 . 1 1 19 19 VAL CA C 13 66.610 0.25 . . . . . A 358 VAL CA . 18650 1
222 . 1 1 19 19 VAL CB C 13 30.463 0.25 . . . . . A 358 VAL CB . 18650 1
223 . 1 1 19 19 VAL CG1 C 13 23.550 0.25 . . . . . A 358 VAL CG1 . 18650 2
224 . 1 1 19 19 VAL CG2 C 13 21.503 0.25 . . . . . A 358 VAL CG2 . 18650 2
225 . 1 1 19 19 VAL N N 15 117.076 0.25 . . . . . A 358 VAL N . 18650 1
226 . 1 1 20 20 LEU H H 1 7.748 0.01 . . . . . A 359 LEU H . 18650 1
227 . 1 1 20 20 LEU HA H 1 3.246 0.01 . . . . . A 359 LEU HA . 18650 1
228 . 1 1 20 20 LEU HB2 H 1 1.679 0.01 . . . . . A 359 LEU HB2 . 18650 2
229 . 1 1 20 20 LEU HB3 H 1 1.679 0.01 . . . . . A 359 LEU HB3 . 18650 2
230 . 1 1 20 20 LEU HG H 1 1.859 0.01 . . . . . A 359 LEU HG . 18650 1
231 . 1 1 20 20 LEU HD11 H 1 1.005 0.01 . . . . . A 359 LEU HD11 . 18650 1
232 . 1 1 20 20 LEU HD12 H 1 1.005 0.01 . . . . . A 359 LEU HD12 . 18650 1
233 . 1 1 20 20 LEU HD13 H 1 1.005 0.01 . . . . . A 359 LEU HD13 . 18650 1
234 . 1 1 20 20 LEU HD21 H 1 0.998 0.01 . . . . . A 359 LEU HD21 . 18650 1
235 . 1 1 20 20 LEU HD22 H 1 0.998 0.01 . . . . . A 359 LEU HD22 . 18650 1
236 . 1 1 20 20 LEU HD23 H 1 0.998 0.01 . . . . . A 359 LEU HD23 . 18650 1
237 . 1 1 20 20 LEU CA C 13 59.477 0.25 . . . . . A 359 LEU CA . 18650 1
238 . 1 1 20 20 LEU CB C 13 41.426 0.25 . . . . . A 359 LEU CB . 18650 1
239 . 1 1 20 20 LEU CG C 13 27.129 0.25 . . . . . A 359 LEU CG . 18650 1
240 . 1 1 20 20 LEU CD1 C 13 23.790 0.25 . . . . . A 359 LEU CD1 . 18650 2
241 . 1 1 20 20 LEU CD2 C 13 25.142 0.25 . . . . . A 359 LEU CD2 . 18650 2
242 . 1 1 20 20 LEU N N 15 120.262 0.25 . . . . . A 359 LEU N . 18650 1
243 . 1 1 21 21 LEU H H 1 8.468 0.01 . . . . . A 360 LEU H . 18650 1
244 . 1 1 21 21 LEU HA H 1 3.885 0.01 . . . . . A 360 LEU HA . 18650 1
245 . 1 1 21 21 LEU HB2 H 1 1.665 0.01 . . . . . A 360 LEU HB2 . 18650 2
246 . 1 1 21 21 LEU HG H 1 1.821 0.01 . . . . . A 360 LEU HG . 18650 1
247 . 1 1 21 21 LEU HD11 H 1 0.919 0.01 . . . . . A 360 LEU HD11 . 18650 1
248 . 1 1 21 21 LEU HD12 H 1 0.919 0.01 . . . . . A 360 LEU HD12 . 18650 1
249 . 1 1 21 21 LEU HD13 H 1 0.919 0.01 . . . . . A 360 LEU HD13 . 18650 1
250 . 1 1 21 21 LEU HD21 H 1 0.809 0.01 . . . . . A 360 LEU HD21 . 18650 1
251 . 1 1 21 21 LEU HD22 H 1 0.809 0.01 . . . . . A 360 LEU HD22 . 18650 1
252 . 1 1 21 21 LEU HD23 H 1 0.809 0.01 . . . . . A 360 LEU HD23 . 18650 1
253 . 1 1 21 21 LEU CA C 13 58.583 0.25 . . . . . A 360 LEU CA . 18650 1
254 . 1 1 21 21 LEU CB C 13 41.401 0.25 . . . . . A 360 LEU CB . 18650 1
255 . 1 1 21 21 LEU CG C 13 29.627 0.25 . . . . . A 360 LEU CG . 18650 1
256 . 1 1 21 21 LEU CD1 C 13 23.656 0.25 . . . . . A 360 LEU CD1 . 18650 2
257 . 1 1 21 21 LEU CD2 C 13 25.606 0.25 . . . . . A 360 LEU CD2 . 18650 2
258 . 1 1 21 21 LEU N N 15 120.867 0.25 . . . . . A 360 LEU N . 18650 1
259 . 1 1 22 22 LEU H H 1 8.243 0.01 . . . . . A 361 LEU H . 18650 1
260 . 1 1 22 22 LEU HA H 1 3.757 0.01 . . . . . A 361 LEU HA . 18650 1
261 . 1 1 22 22 LEU HB2 H 1 1.211 0.01 . . . . . A 361 LEU HB2 . 18650 2
262 . 1 1 22 22 LEU HB3 H 1 1.784 0.01 . . . . . A 361 LEU HB3 . 18650 2
263 . 1 1 22 22 LEU HG H 1 1.809 0.01 . . . . . A 361 LEU HG . 18650 1
264 . 1 1 22 22 LEU HD11 H 1 0.578 0.01 . . . . . A 361 LEU HD11 . 18650 1
265 . 1 1 22 22 LEU HD12 H 1 0.578 0.01 . . . . . A 361 LEU HD12 . 18650 1
266 . 1 1 22 22 LEU HD13 H 1 0.578 0.01 . . . . . A 361 LEU HD13 . 18650 1
267 . 1 1 22 22 LEU HD21 H 1 0.325 0.01 . . . . . A 361 LEU HD21 . 18650 1
268 . 1 1 22 22 LEU HD22 H 1 0.325 0.01 . . . . . A 361 LEU HD22 . 18650 1
269 . 1 1 22 22 LEU HD23 H 1 0.325 0.01 . . . . . A 361 LEU HD23 . 18650 1
270 . 1 1 22 22 LEU CA C 13 58.085 0.25 . . . . . A 361 LEU CA . 18650 1
271 . 1 1 22 22 LEU CB C 13 41.130 0.25 . . . . . A 361 LEU CB . 18650 1
272 . 1 1 22 22 LEU CG C 13 29.877 0.25 . . . . . A 361 LEU CG . 18650 1
273 . 1 1 22 22 LEU CD1 C 13 26.080 0.25 . . . . . A 361 LEU CD1 . 18650 2
274 . 1 1 22 22 LEU CD2 C 13 20.654 0.25 . . . . . A 361 LEU CD2 . 18650 2
275 . 1 1 22 22 LEU N N 15 119.654 0.25 . . . . . A 361 LEU N . 18650 1
276 . 1 1 23 23 HIS H H 1 8.437 0.01 . . . . . A 362 HIS H . 18650 1
277 . 1 1 23 23 HIS HA H 1 4.216 0.01 . . . . . A 362 HIS HA . 18650 1
278 . 1 1 23 23 HIS HB2 H 1 3.453 0.01 . . . . . A 362 HIS HB2 . 18650 1
279 . 1 1 23 23 HIS HB3 H 1 3.196 0.01 . . . . . A 362 HIS HB3 . 18650 1
280 . 1 1 23 23 HIS HD2 H 1 7.255 0.01 . . . . . A 362 HIS HD2 . 18650 1
281 . 1 1 23 23 HIS HE1 H 1 8.039 0.01 . . . . . A 362 HIS HE1 . 18650 1
282 . 1 1 23 23 HIS CA C 13 60.350 0.25 . . . . . A 362 HIS CA . 18650 1
283 . 1 1 23 23 HIS CB C 13 27.793 0.25 . . . . . A 362 HIS CB . 18650 1
284 . 1 1 23 23 HIS CD2 C 13 128.820 0.25 . . . . . A 362 HIS CD2 . 18650 1
285 . 1 1 23 23 HIS CE1 C 13 139.235 0.25 . . . . . A 362 HIS CE1 . 18650 1
286 . 1 1 23 23 HIS N N 15 118.160 0.25 . . . . . A 362 HIS N . 18650 1
287 . 1 1 24 24 ALA H H 1 9.299 0.01 . . . . . A 363 ALA H . 18650 1
288 . 1 1 24 24 ALA HA H 1 4.033 0.01 . . . . . A 363 ALA HA . 18650 1
289 . 1 1 24 24 ALA HB1 H 1 1.548 0.01 . . . . . A 363 ALA HB1 . 18650 1
290 . 1 1 24 24 ALA HB2 H 1 1.548 0.01 . . . . . A 363 ALA HB2 . 18650 1
291 . 1 1 24 24 ALA HB3 H 1 1.548 0.01 . . . . . A 363 ALA HB3 . 18650 1
292 . 1 1 24 24 ALA CA C 13 55.066 0.25 . . . . . A 363 ALA CA . 18650 1
293 . 1 1 24 24 ALA CB C 13 18.813 0.25 . . . . . A 363 ALA CB . 18650 1
294 . 1 1 24 24 ALA N N 15 122.101 0.25 . . . . . A 363 ALA N . 18650 1
295 . 1 1 25 25 HIS H H 1 8.304 0.01 . . . . . A 364 HIS H . 18650 1
296 . 1 1 25 25 HIS HA H 1 4.128 0.01 . . . . . A 364 HIS HA . 18650 1
297 . 1 1 25 25 HIS HB2 H 1 3.136 0.01 . . . . . A 364 HIS HB2 . 18650 1
298 . 1 1 25 25 HIS HB3 H 1 3.078 0.01 . . . . . A 364 HIS HB3 . 18650 1
299 . 1 1 25 25 HIS HD2 H 1 6.963 0.01 . . . . . A 364 HIS HD2 . 18650 1
300 . 1 1 25 25 HIS CA C 13 59.985 0.25 . . . . . A 364 HIS CA . 18650 1
301 . 1 1 25 25 HIS CB C 13 30.813 0.25 . . . . . A 364 HIS CB . 18650 1
302 . 1 1 25 25 HIS CD2 C 13 119.857 0.25 . . . . . A 364 HIS CD2 . 18650 1
303 . 1 1 25 25 HIS N N 15 116.628 0.25 . . . . . A 364 HIS N . 18650 1
304 . 1 1 26 26 LYS H H 1 7.232 0.01 . . . . . A 365 LYS H . 18650 1
305 . 1 1 26 26 LYS HA H 1 3.924 0.01 . . . . . A 365 LYS HA . 18650 1
306 . 1 1 26 26 LYS HB2 H 1 1.862 0.01 . . . . . A 365 LYS HB2 . 18650 2
307 . 1 1 26 26 LYS HB3 H 1 1.862 0.01 . . . . . A 365 LYS HB3 . 18650 2
308 . 1 1 26 26 LYS HG2 H 1 1.387 0.01 . . . . . A 365 LYS HG2 . 18650 2
309 . 1 1 26 26 LYS HG3 H 1 1.528 0.01 . . . . . A 365 LYS HG3 . 18650 2
310 . 1 1 26 26 LYS HD2 H 1 1.666 0.01 . . . . . A 365 LYS HD2 . 18650 2
311 . 1 1 26 26 LYS HD3 H 1 1.666 0.01 . . . . . A 365 LYS HD3 . 18650 2
312 . 1 1 26 26 LYS HE2 H 1 2.965 0.01 . . . . . A 365 LYS HE2 . 18650 2
313 . 1 1 26 26 LYS HE3 H 1 2.965 0.01 . . . . . A 365 LYS HE3 . 18650 2
314 . 1 1 26 26 LYS CA C 13 58.266 0.25 . . . . . A 365 LYS CA . 18650 1
315 . 1 1 26 26 LYS CB C 13 32.944 0.25 . . . . . A 365 LYS CB . 18650 1
316 . 1 1 26 26 LYS CG C 13 25.089 0.25 . . . . . A 365 LYS CG . 18650 1
317 . 1 1 26 26 LYS CD C 13 29.105 0.25 . . . . . A 365 LYS CD . 18650 1
318 . 1 1 26 26 LYS CE C 13 41.603 0.25 . . . . . A 365 LYS CE . 18650 1
319 . 1 1 26 26 LYS N N 15 118.763 0.25 . . . . . A 365 LYS N . 18650 1
320 . 1 1 27 27 CYS H H 1 8.823 0.01 . . . . . A 366 CYS H . 18650 1
321 . 1 1 27 27 CYS HA H 1 3.693 0.01 . . . . . A 366 CYS HA . 18650 1
322 . 1 1 27 27 CYS HB2 H 1 2.573 0.01 . . . . . A 366 CYS HB2 . 18650 1
323 . 1 1 27 27 CYS HB3 H 1 2.117 0.01 . . . . . A 366 CYS HB3 . 18650 1
324 . 1 1 27 27 CYS CA C 13 62.693 0.25 . . . . . A 366 CYS CA . 18650 1
325 . 1 1 27 27 CYS CB C 13 29.402 0.25 . . . . . A 366 CYS CB . 18650 1
326 . 1 1 27 27 CYS N N 15 123.596 0.25 . . . . . A 366 CYS N . 18650 1
327 . 1 1 28 28 GLN H H 1 8.344 0.01 . . . . . A 367 GLN H . 18650 1
328 . 1 1 28 28 GLN HA H 1 4.171 0.01 . . . . . A 367 GLN HA . 18650 1
329 . 1 1 28 28 GLN HB2 H 1 2.014 0.01 . . . . . A 367 GLN HB2 . 18650 2
330 . 1 1 28 28 GLN HB3 H 1 2.099 0.01 . . . . . A 367 GLN HB3 . 18650 2
331 . 1 1 28 28 GLN HG2 H 1 2.383 0.01 . . . . . A 367 GLN HG2 . 18650 2
332 . 1 1 28 28 GLN HG3 H 1 2.405 0.01 . . . . . A 367 GLN HG3 . 18650 2
333 . 1 1 28 28 GLN HE21 H 1 7.530 0.01 . . . . . A 367 GLN HE21 . 18650 2
334 . 1 1 28 28 GLN HE22 H 1 6.787 0.01 . . . . . A 367 GLN HE22 . 18650 2
335 . 1 1 28 28 GLN CA C 13 58.235 0.25 . . . . . A 367 GLN CA . 18650 1
336 . 1 1 28 28 GLN CB C 13 28.996 0.25 . . . . . A 367 GLN CB . 18650 1
337 . 1 1 28 28 GLN CG C 13 33.987 0.25 . . . . . A 367 GLN CG . 18650 1
338 . 1 1 28 28 GLN N N 15 118.099 0.25 . . . . . A 367 GLN N . 18650 1
339 . 1 1 28 28 GLN NE2 N 15 110.679 0.25 . . . . . A 367 GLN NE2 . 18650 1
340 . 1 1 29 29 ARG H H 1 7.603 0.01 . . . . . A 368 ARG H . 18650 1
341 . 1 1 29 29 ARG HA H 1 4.102 0.01 . . . . . A 368 ARG HA . 18650 1
342 . 1 1 29 29 ARG HB2 H 1 1.832 0.01 . . . . . A 368 ARG HB2 . 18650 2
343 . 1 1 29 29 ARG HB3 H 1 1.832 0.01 . . . . . A 368 ARG HB3 . 18650 2
344 . 1 1 29 29 ARG HG2 H 1 1.549 0.01 . . . . . A 368 ARG HG2 . 18650 2
345 . 1 1 29 29 ARG HG3 H 1 1.621 0.01 . . . . . A 368 ARG HG3 . 18650 2
346 . 1 1 29 29 ARG HD2 H 1 3.112 0.01 . . . . . A 368 ARG HD2 . 18650 2
347 . 1 1 29 29 ARG HD3 H 1 3.078 0.01 . . . . . A 368 ARG HD3 . 18650 2
348 . 1 1 29 29 ARG CA C 13 57.723 0.25 . . . . . A 368 ARG CA . 18650 1
349 . 1 1 29 29 ARG CB C 13 29.755 0.25 . . . . . A 368 ARG CB . 18650 1
350 . 1 1 29 29 ARG CG C 13 27.401 0.25 . . . . . A 368 ARG CG . 18650 1
351 . 1 1 29 29 ARG CD C 13 43.043 0.25 . . . . . A 368 ARG CD . 18650 1
352 . 1 1 29 29 ARG N N 15 119.295 0.25 . . . . . A 368 ARG N . 18650 1
353 . 1 1 30 30 ARG H H 1 8.101 0.01 . . . . . A 369 ARG H . 18650 1
354 . 1 1 30 30 ARG HA H 1 4.169 0.01 . . . . . A 369 ARG HA . 18650 1
355 . 1 1 30 30 ARG HB2 H 1 1.908 0.01 . . . . . A 369 ARG HB2 . 18650 2
356 . 1 1 30 30 ARG HB3 H 1 1.908 0.01 . . . . . A 369 ARG HB3 . 18650 2
357 . 1 1 30 30 ARG HG2 H 1 1.598 0.01 . . . . . A 369 ARG HG2 . 18650 2
358 . 1 1 30 30 ARG HG3 H 1 1.727 0.01 . . . . . A 369 ARG HG3 . 18650 2
359 . 1 1 30 30 ARG HD2 H 1 3.207 0.01 . . . . . A 369 ARG HD2 . 18650 2
360 . 1 1 30 30 ARG HD3 H 1 3.207 0.01 . . . . . A 369 ARG HD3 . 18650 2
361 . 1 1 30 30 ARG CA C 13 57.537 0.25 . . . . . A 369 ARG CA . 18650 1
362 . 1 1 30 30 ARG CB C 13 30.040 0.25 . . . . . A 369 ARG CB . 18650 1
363 . 1 1 30 30 ARG CG C 13 27.091 0.25 . . . . . A 369 ARG CG . 18650 1
364 . 1 1 30 30 ARG CD C 13 43.362 0.25 . . . . . A 369 ARG CD . 18650 1
365 . 1 1 30 30 ARG N N 15 120.072 0.25 . . . . . A 369 ARG N . 18650 1
366 . 1 1 31 31 GLU H H 1 7.745 0.01 . . . . . A 370 GLU H . 18650 1
367 . 1 1 31 31 GLU HA H 1 4.185 0.01 . . . . . A 370 GLU HA . 18650 1
368 . 1 1 31 31 GLU HB2 H 1 2.114 0.01 . . . . . A 370 GLU HB2 . 18650 2
369 . 1 1 31 31 GLU HG2 H 1 2.316 0.01 . . . . . A 370 GLU HG2 . 18650 2
370 . 1 1 31 31 GLU HG3 H 1 2.434 0.01 . . . . . A 370 GLU HG3 . 18650 2
371 . 1 1 31 31 GLU CA C 13 58.053 0.25 . . . . . A 370 GLU CA . 18650 1
372 . 1 1 31 31 GLU CB C 13 28.967 0.25 . . . . . A 370 GLU CB . 18650 1
373 . 1 1 31 31 GLU CG C 13 36.411 0.25 . . . . . A 370 GLU CG . 18650 1
374 . 1 1 31 31 GLU N N 15 120.182 0.25 . . . . . A 370 GLU N . 18650 1
375 . 1 1 32 32 GLN H H 1 8.174 0.01 . . . . . A 371 GLN H . 18650 1
376 . 1 1 32 32 GLN HA H 1 4.241 0.01 . . . . . A 371 GLN HA . 18650 1
377 . 1 1 32 32 GLN HB2 H 1 2.138 0.01 . . . . . A 371 GLN HB2 . 18650 2
378 . 1 1 32 32 GLN HB3 H 1 2.087 0.01 . . . . . A 371 GLN HB3 . 18650 2
379 . 1 1 32 32 GLN HG2 H 1 2.485 0.01 . . . . . A 371 GLN HG2 . 18650 2
380 . 1 1 32 32 GLN HG3 H 1 2.395 0.01 . . . . . A 371 GLN HG3 . 18650 2
381 . 1 1 32 32 GLN HE21 H 1 7.541 0.01 . . . . . A 371 GLN HE21 . 18650 2
382 . 1 1 32 32 GLN HE22 H 1 6.892 0.01 . . . . . A 371 GLN HE22 . 18650 2
383 . 1 1 32 32 GLN CA C 13 56.604 0.25 . . . . . A 371 GLN CA . 18650 1
384 . 1 1 32 32 GLN CB C 13 28.984 0.25 . . . . . A 371 GLN CB . 18650 1
385 . 1 1 32 32 GLN CG C 13 33.926 0.25 . . . . . A 371 GLN CG . 18650 1
386 . 1 1 32 32 GLN N N 15 118.594 0.25 . . . . . A 371 GLN N . 18650 1
387 . 1 1 32 32 GLN NE2 N 15 111.622 0.25 . . . . . A 371 GLN NE2 . 18650 1
388 . 1 1 33 33 ALA H H 1 8.013 0.01 . . . . . A 372 ALA H . 18650 1
389 . 1 1 33 33 ALA HA H 1 4.305 0.01 . . . . . A 372 ALA HA . 18650 1
390 . 1 1 33 33 ALA HB1 H 1 1.442 0.01 . . . . . A 372 ALA HB1 . 18650 1
391 . 1 1 33 33 ALA HB2 H 1 1.442 0.01 . . . . . A 372 ALA HB2 . 18650 1
392 . 1 1 33 33 ALA HB3 H 1 1.442 0.01 . . . . . A 372 ALA HB3 . 18650 1
393 . 1 1 33 33 ALA CA C 13 53.085 0.25 . . . . . A 372 ALA CA . 18650 1
394 . 1 1 33 33 ALA CB C 13 18.955 0.25 . . . . . A 372 ALA CB . 18650 1
395 . 1 1 33 33 ALA N N 15 122.336 0.25 . . . . . A 372 ALA N . 18650 1
396 . 1 1 34 34 ASN H H 1 8.169 0.01 . . . . . A 373 ASN H . 18650 1
397 . 1 1 34 34 ASN HA H 1 4.712 0.01 . . . . . A 373 ASN HA . 18650 1
398 . 1 1 34 34 ASN HB2 H 1 2.761 0.01 . . . . . A 373 ASN HB2 . 18650 2
399 . 1 1 34 34 ASN HB3 H 1 2.876 0.01 . . . . . A 373 ASN HB3 . 18650 2
400 . 1 1 34 34 ASN HD21 H 1 6.971 0.01 . . . . . A 373 ASN HD21 . 18650 2
401 . 1 1 34 34 ASN HD22 H 1 7.670 0.01 . . . . . A 373 ASN HD22 . 18650 2
402 . 1 1 34 34 ASN CA C 13 53.034 0.25 . . . . . A 373 ASN CA . 18650 1
403 . 1 1 34 34 ASN CB C 13 38.730 0.25 . . . . . A 373 ASN CB . 18650 1
404 . 1 1 34 34 ASN N N 15 115.431 0.25 . . . . . A 373 ASN N . 18650 1
405 . 1 1 34 34 ASN ND2 N 15 112.217 0.25 . . . . . A 373 ASN ND2 . 18650 1
406 . 1 1 35 35 GLY H H 1 8.317 0.01 . . . . . A 374 GLY H . 18650 1
407 . 1 1 35 35 GLY HA2 H 1 3.967 0.01 . . . . . A 374 GLY HA2 . 18650 2
408 . 1 1 35 35 GLY HA3 H 1 3.967 0.01 . . . . . A 374 GLY HA3 . 18650 2
409 . 1 1 35 35 GLY CA C 13 45.505 0.25 . . . . . A 374 GLY CA . 18650 1
410 . 1 1 35 35 GLY N N 15 108.917 0.25 . . . . . A 374 GLY N . 18650 1
411 . 1 1 36 36 GLU H H 1 8.196 0.01 . . . . . A 375 GLU H . 18650 1
412 . 1 1 36 36 GLU HA H 1 4.343 0.01 . . . . . A 375 GLU HA . 18650 1
413 . 1 1 36 36 GLU HB2 H 1 2.039 0.01 . . . . . A 375 GLU HB2 . 18650 2
414 . 1 1 36 36 GLU HB3 H 1 1.926 0.01 . . . . . A 375 GLU HB3 . 18650 2
415 . 1 1 36 36 GLU HG2 H 1 2.217 0.01 . . . . . A 375 GLU HG2 . 18650 2
416 . 1 1 36 36 GLU HG3 H 1 2.178 0.01 . . . . . A 375 GLU HG3 . 18650 2
417 . 1 1 36 36 GLU CA C 13 55.937 0.25 . . . . . A 375 GLU CA . 18650 1
418 . 1 1 36 36 GLU CB C 13 30.294 0.25 . . . . . A 375 GLU CB . 18650 1
419 . 1 1 36 36 GLU CG C 13 36.096 0.25 . . . . . A 375 GLU CG . 18650 1
420 . 1 1 36 36 GLU N N 15 120.003 0.25 . . . . . A 375 GLU N . 18650 1
421 . 1 1 37 37 VAL H H 1 8.145 0.01 . . . . . A 376 VAL H . 18650 1
422 . 1 1 37 37 VAL HA H 1 4.104 0.01 . . . . . A 376 VAL HA . 18650 1
423 . 1 1 37 37 VAL HB H 1 2.063 0.01 . . . . . A 376 VAL HB . 18650 1
424 . 1 1 37 37 VAL HG11 H 1 0.932 0.01 . . . . . A 376 VAL HG11 . 18650 1
425 . 1 1 37 37 VAL HG12 H 1 0.932 0.01 . . . . . A 376 VAL HG12 . 18650 1
426 . 1 1 37 37 VAL HG13 H 1 0.932 0.01 . . . . . A 376 VAL HG13 . 18650 1
427 . 1 1 37 37 VAL HG21 H 1 0.908 0.01 . . . . . A 376 VAL HG21 . 18650 1
428 . 1 1 37 37 VAL HG22 H 1 0.908 0.01 . . . . . A 376 VAL HG22 . 18650 1
429 . 1 1 37 37 VAL HG23 H 1 0.908 0.01 . . . . . A 376 VAL HG23 . 18650 1
430 . 1 1 37 37 VAL CA C 13 62.175 0.25 . . . . . A 376 VAL CA . 18650 1
431 . 1 1 37 37 VAL CB C 13 32.591 0.25 . . . . . A 376 VAL CB . 18650 1
432 . 1 1 37 37 VAL CG1 C 13 20.624 0.25 . . . . . A 376 VAL CG1 . 18650 2
433 . 1 1 37 37 VAL CG2 C 13 21.045 0.25 . . . . . A 376 VAL CG2 . 18650 2
434 . 1 1 37 37 VAL N N 15 121.198 0.25 . . . . . A 376 VAL N . 18650 1
435 . 1 1 38 38 ARG H H 1 8.533 0.01 . . . . . A 377 ARG H . 18650 1
436 . 1 1 38 38 ARG HA H 1 4.352 0.01 . . . . . A 377 ARG HA . 18650 1
437 . 1 1 38 38 ARG HB2 H 1 1.736 0.01 . . . . . A 377 ARG HB2 . 18650 2
438 . 1 1 38 38 ARG HB3 H 1 1.815 0.01 . . . . . A 377 ARG HB3 . 18650 2
439 . 1 1 38 38 ARG HG2 H 1 1.633 0.01 . . . . . A 377 ARG HG2 . 18650 2
440 . 1 1 38 38 ARG HG3 H 1 1.633 0.01 . . . . . A 377 ARG HG3 . 18650 2
441 . 1 1 38 38 ARG HD2 H 1 3.197 0.01 . . . . . A 377 ARG HD2 . 18650 2
442 . 1 1 38 38 ARG HD3 H 1 3.197 0.01 . . . . . A 377 ARG HD3 . 18650 2
443 . 1 1 38 38 ARG CA C 13 55.280 0.25 . . . . . A 377 ARG CA . 18650 1
444 . 1 1 38 38 ARG CB C 13 30.716 0.25 . . . . . A 377 ARG CB . 18650 1
445 . 1 1 38 38 ARG CG C 13 27.178 0.25 . . . . . A 377 ARG CG . 18650 1
446 . 1 1 38 38 ARG CD C 13 43.398 0.25 . . . . . A 377 ARG CD . 18650 1
447 . 1 1 38 38 ARG N N 15 125.214 0.25 . . . . . A 377 ARG N . 18650 1
448 . 1 1 39 39 ALA H H 1 8.442 0.01 . . . . . A 378 ALA H . 18650 1
449 . 1 1 39 39 ALA HA H 1 4.251 0.01 . . . . . A 378 ALA HA . 18650 1
450 . 1 1 39 39 ALA HB1 H 1 1.334 0.01 . . . . . A 378 ALA HB1 . 18650 1
451 . 1 1 39 39 ALA HB2 H 1 1.334 0.01 . . . . . A 378 ALA HB2 . 18650 1
452 . 1 1 39 39 ALA HB3 H 1 1.334 0.01 . . . . . A 378 ALA HB3 . 18650 1
453 . 1 1 39 39 ALA CA C 13 52.153 0.25 . . . . . A 378 ALA CA . 18650 1
454 . 1 1 39 39 ALA CB C 13 19.077 0.25 . . . . . A 378 ALA CB . 18650 1
455 . 1 1 39 39 ALA N N 15 126.297 0.25 . . . . . A 378 ALA N . 18650 1
456 . 1 1 40 40 CYS H H 1 8.546 0.01 . . . . . A 379 CYS H . 18650 1
457 . 1 1 40 40 CYS HA H 1 4.333 0.01 . . . . . A 379 CYS HA . 18650 1
458 . 1 1 40 40 CYS HB2 H 1 2.850 0.01 . . . . . A 379 CYS HB2 . 18650 1
459 . 1 1 40 40 CYS HB3 H 1 2.816 0.01 . . . . . A 379 CYS HB3 . 18650 1
460 . 1 1 40 40 CYS CA C 13 59.780 0.25 . . . . . A 379 CYS CA . 18650 1
461 . 1 1 40 40 CYS CB C 13 30.092 0.25 . . . . . A 379 CYS CB . 18650 1
462 . 1 1 40 40 CYS N N 15 124.170 0.25 . . . . . A 379 CYS N . 18650 1
463 . 1 1 41 41 SER H H 1 8.889 0.01 . . . . . A 380 SER H . 18650 1
464 . 1 1 41 41 SER HA H 1 4.589 0.01 . . . . . A 380 SER HA . 18650 1
465 . 1 1 41 41 SER HB2 H 1 4.037 0.01 . . . . . A 380 SER HB2 . 18650 2
466 . 1 1 41 41 SER HB3 H 1 3.827 0.01 . . . . . A 380 SER HB3 . 18650 2
467 . 1 1 41 41 SER CA C 13 57.428 0.25 . . . . . A 380 SER CA . 18650 1
468 . 1 1 41 41 SER CB C 13 63.754 0.25 . . . . . A 380 SER CB . 18650 1
469 . 1 1 41 41 SER N N 15 123.961 0.25 . . . . . A 380 SER N . 18650 1
470 . 1 1 42 42 LEU HA H 1 4.447 0.01 . . . . . A 381 LEU HA . 18650 1
471 . 1 1 42 42 LEU HB2 H 1 1.434 0.01 . . . . . A 381 LEU HB2 . 18650 2
472 . 1 1 42 42 LEU HB3 H 1 1.434 0.01 . . . . . A 381 LEU HB3 . 18650 2
473 . 1 1 42 42 LEU HG H 1 1.658 0.01 . . . . . A 381 LEU HG . 18650 1
474 . 1 1 42 42 LEU HD11 H 1 0.624 0.01 . . . . . A 381 LEU HD11 . 18650 1
475 . 1 1 42 42 LEU HD12 H 1 0.624 0.01 . . . . . A 381 LEU HD12 . 18650 1
476 . 1 1 42 42 LEU HD13 H 1 0.624 0.01 . . . . . A 381 LEU HD13 . 18650 1
477 . 1 1 42 42 LEU HD21 H 1 0.625 0.01 . . . . . A 381 LEU HD21 . 18650 1
478 . 1 1 42 42 LEU HD22 H 1 0.625 0.01 . . . . . A 381 LEU HD22 . 18650 1
479 . 1 1 42 42 LEU HD23 H 1 0.625 0.01 . . . . . A 381 LEU HD23 . 18650 1
480 . 1 1 42 42 LEU CA C 13 53.902 0.25 . . . . . A 381 LEU CA . 18650 1
481 . 1 1 42 42 LEU CB C 13 41.639 0.25 . . . . . A 381 LEU CB . 18650 1
482 . 1 1 42 42 LEU CD1 C 13 24.276 0.25 . . . . . A 381 LEU CD1 . 18650 2
483 . 1 1 42 42 LEU CD2 C 13 24.389 0.25 . . . . . A 381 LEU CD2 . 18650 2
484 . 1 1 43 43 PRO HA H 1 4.704 0.01 . . . . . A 382 PRO HA . 18650 1
485 . 1 1 43 43 PRO HB2 H 1 2.122 0.01 . . . . . A 382 PRO HB2 . 18650 1
486 . 1 1 43 43 PRO HB3 H 1 2.415 0.01 . . . . . A 382 PRO HB3 . 18650 1
487 . 1 1 43 43 PRO HG2 H 1 1.851 0.01 . . . . . A 382 PRO HG2 . 18650 1
488 . 1 1 43 43 PRO HG3 H 1 1.941 0.01 . . . . . A 382 PRO HG3 . 18650 1
489 . 1 1 43 43 PRO HD2 H 1 3.597 0.01 . . . . . A 382 PRO HD2 . 18650 1
490 . 1 1 43 43 PRO HD3 H 1 3.572 0.01 . . . . . A 382 PRO HD3 . 18650 1
491 . 1 1 43 43 PRO CA C 13 62.370 0.25 . . . . . A 382 PRO CA . 18650 1
492 . 1 1 43 43 PRO CB C 13 34.687 0.25 . . . . . A 382 PRO CB . 18650 1
493 . 1 1 43 43 PRO CG C 13 24.639 0.25 . . . . . A 382 PRO CG . 18650 1
494 . 1 1 43 43 PRO CD C 13 50.107 0.25 . . . . . A 382 PRO CD . 18650 1
495 . 1 1 44 44 HIS HA H 1 4.359 0.01 . . . . . A 383 HIS HA . 18650 1
496 . 1 1 44 44 HIS HB2 H 1 3.161 0.01 . . . . . A 383 HIS HB2 . 18650 1
497 . 1 1 44 44 HIS HB3 H 1 3.174 0.01 . . . . . A 383 HIS HB3 . 18650 1
498 . 1 1 44 44 HIS HD2 H 1 7.080 0.01 . . . . . A 383 HIS HD2 . 18650 1
499 . 1 1 44 44 HIS HE1 H 1 7.803 0.01 . . . . . A 383 HIS HE1 . 18650 1
500 . 1 1 44 44 HIS CA C 13 58.198 0.25 . . . . . A 383 HIS CA . 18650 1
501 . 1 1 44 44 HIS CB C 13 29.781 0.25 . . . . . A 383 HIS CB . 18650 1
502 . 1 1 44 44 HIS CD2 C 13 119.259 0.25 . . . . . A 383 HIS CD2 . 18650 1
503 . 1 1 44 44 HIS CE1 C 13 137.641 0.25 . . . . . A 383 HIS CE1 . 18650 1
504 . 1 1 45 45 CYS HA H 1 4.015 0.01 . . . . . A 384 CYS HA . 18650 1
505 . 1 1 45 45 CYS HB2 H 1 3.148 0.01 . . . . . A 384 CYS HB2 . 18650 1
506 . 1 1 45 45 CYS HB3 H 1 2.740 0.01 . . . . . A 384 CYS HB3 . 18650 1
507 . 1 1 45 45 CYS CA C 13 64.103 0.25 . . . . . A 384 CYS CA . 18650 1
508 . 1 1 45 45 CYS CB C 13 28.774 0.25 . . . . . A 384 CYS CB . 18650 1
509 . 1 1 46 46 ARG H H 1 7.964 0.01 . . . . . A 385 ARG H . 18650 1
510 . 1 1 46 46 ARG HA H 1 4.344 0.01 . . . . . A 385 ARG HA . 18650 1
511 . 1 1 46 46 ARG HB2 H 1 1.723 0.01 . . . . . A 385 ARG HB2 . 18650 2
512 . 1 1 46 46 ARG HB3 H 1 1.723 0.01 . . . . . A 385 ARG HB3 . 18650 2
513 . 1 1 46 46 ARG HG2 H 1 1.610 0.01 . . . . . A 385 ARG HG2 . 18650 2
514 . 1 1 46 46 ARG HG3 H 1 1.610 0.01 . . . . . A 385 ARG HG3 . 18650 2
515 . 1 1 46 46 ARG HD2 H 1 2.573 0.01 . . . . . A 385 ARG HD2 . 18650 2
516 . 1 1 46 46 ARG HD3 H 1 2.995 0.01 . . . . . A 385 ARG HD3 . 18650 2
517 . 1 1 46 46 ARG CA C 13 55.141 0.25 . . . . . A 385 ARG CA . 18650 1
518 . 1 1 46 46 ARG CB C 13 31.042 0.25 . . . . . A 385 ARG CB . 18650 1
519 . 1 1 46 46 ARG CG C 13 27.094 0.25 . . . . . A 385 ARG CG . 18650 1
520 . 1 1 46 46 ARG CD C 13 40.909 0.25 . . . . . A 385 ARG CD . 18650 1
521 . 1 1 46 46 ARG N N 15 122.076 0.25 . . . . . A 385 ARG N . 18650 1
522 . 1 1 47 47 THR H H 1 8.301 0.01 . . . . . A 386 THR H . 18650 1
523 . 1 1 47 47 THR HA H 1 3.981 0.01 . . . . . A 386 THR HA . 18650 1
524 . 1 1 47 47 THR HB H 1 4.283 0.01 . . . . . A 386 THR HB . 18650 1
525 . 1 1 47 47 THR HG21 H 1 1.275 0.01 . . . . . A 386 THR HG21 . 18650 1
526 . 1 1 47 47 THR HG22 H 1 1.275 0.01 . . . . . A 386 THR HG22 . 18650 1
527 . 1 1 47 47 THR HG23 H 1 1.275 0.01 . . . . . A 386 THR HG23 . 18650 1
528 . 1 1 47 47 THR CA C 13 66.303 0.25 . . . . . A 386 THR CA . 18650 1
529 . 1 1 47 47 THR CB C 13 68.386 0.25 . . . . . A 386 THR CB . 18650 1
530 . 1 1 47 47 THR CG2 C 13 21.871 0.25 . . . . . A 386 THR CG2 . 18650 1
531 . 1 1 47 47 THR N N 15 113.486 0.25 . . . . . A 386 THR N . 18650 1
532 . 1 1 48 48 MET H H 1 8.097 0.01 . . . . . A 387 MET H . 18650 1
533 . 1 1 48 48 MET HA H 1 4.631 0.01 . . . . . A 387 MET HA . 18650 1
534 . 1 1 48 48 MET HB2 H 1 2.248 0.01 . . . . . A 387 MET HB2 . 18650 2
535 . 1 1 48 48 MET HB3 H 1 1.904 0.01 . . . . . A 387 MET HB3 . 18650 2
536 . 1 1 48 48 MET HG2 H 1 2.619 0.01 . . . . . A 387 MET HG2 . 18650 2
537 . 1 1 48 48 MET HG3 H 1 2.776 0.01 . . . . . A 387 MET HG3 . 18650 2
538 . 1 1 48 48 MET HE1 H 1 1.753 0.01 . . . . . A 387 MET HE1 . 18650 1
539 . 1 1 48 48 MET HE2 H 1 1.753 0.01 . . . . . A 387 MET HE2 . 18650 1
540 . 1 1 48 48 MET HE3 H 1 1.753 0.01 . . . . . A 387 MET HE3 . 18650 1
541 . 1 1 48 48 MET CA C 13 56.459 0.25 . . . . . A 387 MET CA . 18650 1
542 . 1 1 48 48 MET CB C 13 30.675 0.25 . . . . . A 387 MET CB . 18650 1
543 . 1 1 48 48 MET CG C 13 33.776 0.25 . . . . . A 387 MET CG . 18650 1
544 . 1 1 48 48 MET CE C 13 17.497 0.25 . . . . . A 387 MET CE . 18650 1
545 . 1 1 48 48 MET N N 15 119.862 0.25 . . . . . A 387 MET N . 18650 1
546 . 1 1 49 49 LYS H H 1 9.336 0.01 . . . . . A 388 LYS H . 18650 1
547 . 1 1 49 49 LYS HA H 1 3.913 0.01 . . . . . A 388 LYS HA . 18650 1
548 . 1 1 49 49 LYS HB2 H 1 2.062 0.01 . . . . . A 388 LYS HB2 . 18650 2
549 . 1 1 49 49 LYS HB3 H 1 1.884 0.01 . . . . . A 388 LYS HB3 . 18650 2
550 . 1 1 49 49 LYS HG2 H 1 1.657 0.01 . . . . . A 388 LYS HG2 . 18650 2
551 . 1 1 49 49 LYS HG3 H 1 1.529 0.01 . . . . . A 388 LYS HG3 . 18650 2
552 . 1 1 49 49 LYS HD2 H 1 1.258 0.01 . . . . . A 388 LYS HD2 . 18650 2
553 . 1 1 49 49 LYS HD3 H 1 1.258 0.01 . . . . . A 388 LYS HD3 . 18650 2
554 . 1 1 49 49 LYS HE2 H 1 3.305 0.01 . . . . . A 388 LYS HE2 . 18650 2
555 . 1 1 49 49 LYS HE3 H 1 3.332 0.01 . . . . . A 388 LYS HE3 . 18650 2
556 . 1 1 49 49 LYS CA C 13 60.901 0.25 . . . . . A 388 LYS CA . 18650 1
557 . 1 1 49 49 LYS CB C 13 32.685 0.25 . . . . . A 388 LYS CB . 18650 1
558 . 1 1 49 49 LYS CG C 13 25.475 0.25 . . . . . A 388 LYS CG . 18650 1
559 . 1 1 49 49 LYS CD C 13 27.474 0.25 . . . . . A 388 LYS CD . 18650 1
560 . 1 1 49 49 LYS CE C 13 43.420 0.25 . . . . . A 388 LYS CE . 18650 1
561 . 1 1 49 49 LYS N N 15 122.484 0.25 . . . . . A 388 LYS N . 18650 1
562 . 1 1 50 50 ASN H H 1 7.969 0.01 . . . . . A 389 ASN H . 18650 1
563 . 1 1 50 50 ASN HA H 1 4.601 0.01 . . . . . A 389 ASN HA . 18650 1
564 . 1 1 50 50 ASN HB2 H 1 2.966 0.01 . . . . . A 389 ASN HB2 . 18650 2
565 . 1 1 50 50 ASN HB3 H 1 3.226 0.01 . . . . . A 389 ASN HB3 . 18650 2
566 . 1 1 50 50 ASN HD21 H 1 7.835 0.01 . . . . . A 389 ASN HD21 . 18650 2
567 . 1 1 50 50 ASN HD22 H 1 7.054 0.01 . . . . . A 389 ASN HD22 . 18650 2
568 . 1 1 50 50 ASN CA C 13 56.054 0.25 . . . . . A 389 ASN CA . 18650 1
569 . 1 1 50 50 ASN CB C 13 37.275 0.25 . . . . . A 389 ASN CB . 18650 1
570 . 1 1 50 50 ASN N N 15 117.218 0.25 . . . . . A 389 ASN N . 18650 1
571 . 1 1 50 50 ASN ND2 N 15 112.378 0.25 . . . . . A 389 ASN ND2 . 18650 1
572 . 1 1 51 51 VAL H H 1 7.982 0.01 . . . . . A 390 VAL H . 18650 1
573 . 1 1 51 51 VAL HA H 1 3.790 0.01 . . . . . A 390 VAL HA . 18650 1
574 . 1 1 51 51 VAL HB H 1 2.523 0.01 . . . . . A 390 VAL HB . 18650 1
575 . 1 1 51 51 VAL HG11 H 1 1.313 0.01 . . . . . A 390 VAL HG11 . 18650 1
576 . 1 1 51 51 VAL HG12 H 1 1.313 0.01 . . . . . A 390 VAL HG12 . 18650 1
577 . 1 1 51 51 VAL HG13 H 1 1.313 0.01 . . . . . A 390 VAL HG13 . 18650 1
578 . 1 1 51 51 VAL HG21 H 1 1.020 0.01 . . . . . A 390 VAL HG21 . 18650 1
579 . 1 1 51 51 VAL HG22 H 1 1.020 0.01 . . . . . A 390 VAL HG22 . 18650 1
580 . 1 1 51 51 VAL HG23 H 1 1.020 0.01 . . . . . A 390 VAL HG23 . 18650 1
581 . 1 1 51 51 VAL CA C 13 67.025 0.25 . . . . . A 390 VAL CA . 18650 1
582 . 1 1 51 51 VAL CB C 13 31.631 0.25 . . . . . A 390 VAL CB . 18650 1
583 . 1 1 51 51 VAL CG1 C 13 23.157 0.25 . . . . . A 390 VAL CG1 . 18650 2
584 . 1 1 51 51 VAL CG2 C 13 20.942 0.25 . . . . . A 390 VAL CG2 . 18650 2
585 . 1 1 51 51 VAL N N 15 123.815 0.25 . . . . . A 390 VAL N . 18650 1
586 . 1 1 52 52 LEU H H 1 8.688 0.01 . . . . . A 391 LEU H . 18650 1
587 . 1 1 52 52 LEU HA H 1 4.077 0.01 . . . . . A 391 LEU HA . 18650 1
588 . 1 1 52 52 LEU HB2 H 1 1.561 0.01 . . . . . A 391 LEU HB2 . 18650 2
589 . 1 1 52 52 LEU HB3 H 1 2.095 0.01 . . . . . A 391 LEU HB3 . 18650 2
590 . 1 1 52 52 LEU HG H 1 1.929 0.01 . . . . . A 391 LEU HG . 18650 1
591 . 1 1 52 52 LEU HD11 H 1 0.965 0.01 . . . . . A 391 LEU HD11 . 18650 1
592 . 1 1 52 52 LEU HD12 H 1 0.965 0.01 . . . . . A 391 LEU HD12 . 18650 1
593 . 1 1 52 52 LEU HD13 H 1 0.965 0.01 . . . . . A 391 LEU HD13 . 18650 1
594 . 1 1 52 52 LEU HD21 H 1 0.933 0.01 . . . . . A 391 LEU HD21 . 18650 1
595 . 1 1 52 52 LEU HD22 H 1 0.933 0.01 . . . . . A 391 LEU HD22 . 18650 1
596 . 1 1 52 52 LEU HD23 H 1 0.933 0.01 . . . . . A 391 LEU HD23 . 18650 1
597 . 1 1 52 52 LEU CA C 13 58.501 0.25 . . . . . A 391 LEU CA . 18650 1
598 . 1 1 52 52 LEU CB C 13 41.359 0.25 . . . . . A 391 LEU CB . 18650 1
599 . 1 1 52 52 LEU CG C 13 26.816 0.25 . . . . . A 391 LEU CG . 18650 1
600 . 1 1 52 52 LEU CD1 C 13 25.955 0.25 . . . . . A 391 LEU CD1 . 18650 2
601 . 1 1 52 52 LEU CD2 C 13 23.036 0.25 . . . . . A 391 LEU CD2 . 18650 2
602 . 1 1 52 52 LEU N N 15 120.932 0.25 . . . . . A 391 LEU N . 18650 1
603 . 1 1 53 53 ASN H H 1 8.310 0.01 . . . . . A 392 ASN H . 18650 1
604 . 1 1 53 53 ASN HA H 1 4.497 0.01 . . . . . A 392 ASN HA . 18650 1
605 . 1 1 53 53 ASN HB2 H 1 2.966 0.01 . . . . . A 392 ASN HB2 . 18650 2
606 . 1 1 53 53 ASN HB3 H 1 2.966 0.01 . . . . . A 392 ASN HB3 . 18650 2
607 . 1 1 53 53 ASN HD21 H 1 7.229 0.01 . . . . . A 392 ASN HD21 . 18650 2
608 . 1 1 53 53 ASN HD22 H 1 7.826 0.01 . . . . . A 392 ASN HD22 . 18650 2
609 . 1 1 53 53 ASN CA C 13 55.847 0.25 . . . . . A 392 ASN CA . 18650 1
610 . 1 1 53 53 ASN CB C 13 38.075 0.25 . . . . . A 392 ASN CB . 18650 1
611 . 1 1 53 53 ASN N N 15 116.694 0.25 . . . . . A 392 ASN N . 18650 1
612 . 1 1 53 53 ASN ND2 N 15 112.436 0.25 . . . . . A 392 ASN ND2 . 18650 1
613 . 1 1 54 54 HIS H H 1 7.969 0.01 . . . . . A 393 HIS H . 18650 1
614 . 1 1 54 54 HIS HA H 1 4.389 0.01 . . . . . A 393 HIS HA . 18650 1
615 . 1 1 54 54 HIS HB2 H 1 3.398 0.01 . . . . . A 393 HIS HB2 . 18650 1
616 . 1 1 54 54 HIS HB3 H 1 3.641 0.01 . . . . . A 393 HIS HB3 . 18650 1
617 . 1 1 54 54 HIS HD2 H 1 7.213 0.01 . . . . . A 393 HIS HD2 . 18650 1
618 . 1 1 54 54 HIS HE1 H 1 7.996 0.01 . . . . . A 393 HIS HE1 . 18650 1
619 . 1 1 54 54 HIS CA C 13 59.250 0.25 . . . . . A 393 HIS CA . 18650 1
620 . 1 1 54 54 HIS CB C 13 27.257 0.25 . . . . . A 393 HIS CB . 18650 1
621 . 1 1 54 54 HIS CE1 C 13 139.350 0.25 . . . . . A 393 HIS CE1 . 18650 1
622 . 1 1 54 54 HIS N N 15 119.678 0.25 . . . . . A 393 HIS N . 18650 1
623 . 1 1 55 55 MET H H 1 9.135 0.01 . . . . . A 394 MET H . 18650 1
624 . 1 1 55 55 MET HA H 1 3.712 0.01 . . . . . A 394 MET HA . 18650 1
625 . 1 1 55 55 MET HB2 H 1 2.412 0.01 . . . . . A 394 MET HB2 . 18650 2
626 . 1 1 55 55 MET HB3 H 1 2.288 0.01 . . . . . A 394 MET HB3 . 18650 2
627 . 1 1 55 55 MET HG2 H 1 2.971 0.01 . . . . . A 394 MET HG2 . 18650 2
628 . 1 1 55 55 MET HG3 H 1 2.994 0.01 . . . . . A 394 MET HG3 . 18650 2
629 . 1 1 55 55 MET HE1 H 1 1.971 0.01 . . . . . A 394 MET HE1 . 18650 1
630 . 1 1 55 55 MET HE2 H 1 1.971 0.01 . . . . . A 394 MET HE2 . 18650 1
631 . 1 1 55 55 MET HE3 H 1 1.971 0.01 . . . . . A 394 MET HE3 . 18650 1
632 . 1 1 55 55 MET CA C 13 59.428 0.25 . . . . . A 394 MET CA . 18650 1
633 . 1 1 55 55 MET CB C 13 34.400 0.25 . . . . . A 394 MET CB . 18650 1
634 . 1 1 55 55 MET CG C 13 31.619 0.25 . . . . . A 394 MET CG . 18650 1
635 . 1 1 55 55 MET CE C 13 16.836 0.25 . . . . . A 394 MET CE . 18650 1
636 . 1 1 55 55 MET N N 15 119.628 0.25 . . . . . A 394 MET N . 18650 1
637 . 1 1 56 56 THR H H 1 7.673 0.01 . . . . . A 395 THR H . 18650 1
638 . 1 1 56 56 THR HA H 1 3.905 0.01 . . . . . A 395 THR HA . 18650 1
639 . 1 1 56 56 THR HB H 1 4.015 0.01 . . . . . A 395 THR HB . 18650 1
640 . 1 1 56 56 THR HG21 H 1 1.067 0.01 . . . . . A 395 THR HG21 . 18650 1
641 . 1 1 56 56 THR HG22 H 1 1.067 0.01 . . . . . A 395 THR HG22 . 18650 1
642 . 1 1 56 56 THR HG23 H 1 1.067 0.01 . . . . . A 395 THR HG23 . 18650 1
643 . 1 1 56 56 THR CA C 13 65.277 0.25 . . . . . A 395 THR CA . 18650 1
644 . 1 1 56 56 THR CB C 13 69.181 0.25 . . . . . A 395 THR CB . 18650 1
645 . 1 1 56 56 THR CG2 C 13 21.142 0.25 . . . . . A 395 THR CG2 . 18650 1
646 . 1 1 56 56 THR N N 15 110.193 0.25 . . . . . A 395 THR N . 18650 1
647 . 1 1 57 57 HIS H H 1 7.054 0.01 . . . . . A 396 HIS H . 18650 1
648 . 1 1 57 57 HIS HA H 1 4.840 0.01 . . . . . A 396 HIS HA . 18650 1
649 . 1 1 57 57 HIS HB2 H 1 3.348 0.01 . . . . . A 396 HIS HB2 . 18650 1
650 . 1 1 57 57 HIS HB3 H 1 2.999 0.01 . . . . . A 396 HIS HB3 . 18650 1
651 . 1 1 57 57 HIS HD2 H 1 7.206 0.01 . . . . . A 396 HIS HD2 . 18650 1
652 . 1 1 57 57 HIS HE1 H 1 8.116 0.01 . . . . . A 396 HIS HE1 . 18650 1
653 . 1 1 57 57 HIS CA C 13 54.765 0.25 . . . . . A 396 HIS CA . 18650 1
654 . 1 1 57 57 HIS CB C 13 30.415 0.25 . . . . . A 396 HIS CB . 18650 1
655 . 1 1 57 57 HIS CD2 C 13 120.546 0.25 . . . . . A 396 HIS CD2 . 18650 1
656 . 1 1 57 57 HIS CE1 C 13 136.849 0.25 . . . . . A 396 HIS CE1 . 18650 1
657 . 1 1 57 57 HIS N N 15 115.391 0.25 . . . . . A 396 HIS N . 18650 1
658 . 1 1 58 58 CYS H H 1 7.213 0.01 . . . . . A 397 CYS H . 18650 1
659 . 1 1 58 58 CYS HA H 1 4.051 0.01 . . . . . A 397 CYS HA . 18650 1
660 . 1 1 58 58 CYS HB2 H 1 1.924 0.01 . . . . . A 397 CYS HB2 . 18650 1
661 . 1 1 58 58 CYS HB3 H 1 2.529 0.01 . . . . . A 397 CYS HB3 . 18650 1
662 . 1 1 58 58 CYS CA C 13 60.560 0.25 . . . . . A 397 CYS CA . 18650 1
663 . 1 1 58 58 CYS CB C 13 29.611 0.25 . . . . . A 397 CYS CB . 18650 1
664 . 1 1 58 58 CYS N N 15 123.805 0.25 . . . . . A 397 CYS N . 18650 1
665 . 1 1 59 59 GLN H H 1 9.180 0.01 . . . . . A 398 GLN H . 18650 1
666 . 1 1 59 59 GLN HA H 1 4.743 0.01 . . . . . A 398 GLN HA . 18650 1
667 . 1 1 59 59 GLN HB2 H 1 1.858 0.01 . . . . . A 398 GLN HB2 . 18650 2
668 . 1 1 59 59 GLN HB3 H 1 2.406 0.01 . . . . . A 398 GLN HB3 . 18650 2
669 . 1 1 59 59 GLN HG2 H 1 2.383 0.01 . . . . . A 398 GLN HG2 . 18650 2
670 . 1 1 59 59 GLN HG3 H 1 2.423 0.01 . . . . . A 398 GLN HG3 . 18650 2
671 . 1 1 59 59 GLN HE21 H 1 6.891 0.01 . . . . . A 398 GLN HE21 . 18650 2
672 . 1 1 59 59 GLN HE22 H 1 7.484 0.01 . . . . . A 398 GLN HE22 . 18650 2
673 . 1 1 59 59 GLN CA C 13 54.869 0.25 . . . . . A 398 GLN CA . 18650 1
674 . 1 1 59 59 GLN CB C 13 29.443 0.25 . . . . . A 398 GLN CB . 18650 1
675 . 1 1 59 59 GLN CG C 13 33.691 0.25 . . . . . A 398 GLN CG . 18650 1
676 . 1 1 59 59 GLN N N 15 129.030 0.25 . . . . . A 398 GLN N . 18650 1
677 . 1 1 59 59 GLN NE2 N 15 112.427 0.25 . . . . . A 398 GLN NE2 . 18650 1
678 . 1 1 60 60 ALA H H 1 8.779 0.01 . . . . . A 399 ALA H . 18650 1
679 . 1 1 60 60 ALA HA H 1 4.362 0.01 . . . . . A 399 ALA HA . 18650 1
680 . 1 1 60 60 ALA HB1 H 1 1.454 0.01 . . . . . A 399 ALA HB1 . 18650 1
681 . 1 1 60 60 ALA HB2 H 1 1.454 0.01 . . . . . A 399 ALA HB2 . 18650 1
682 . 1 1 60 60 ALA HB3 H 1 1.454 0.01 . . . . . A 399 ALA HB3 . 18650 1
683 . 1 1 60 60 ALA CA C 13 53.119 0.25 . . . . . A 399 ALA CA . 18650 1
684 . 1 1 60 60 ALA CB C 13 19.635 0.25 . . . . . A 399 ALA CB . 18650 1
685 . 1 1 60 60 ALA N N 15 125.172 0.25 . . . . . A 399 ALA N . 18650 1
686 . 1 1 61 61 GLY H H 1 8.249 0.01 . . . . . A 400 GLY H . 18650 1
687 . 1 1 61 61 GLY HA2 H 1 3.619 0.01 . . . . . A 400 GLY HA2 . 18650 2
688 . 1 1 61 61 GLY HA3 H 1 3.942 0.01 . . . . . A 400 GLY HA3 . 18650 2
689 . 1 1 61 61 GLY CA C 13 45.851 0.25 . . . . . A 400 GLY CA . 18650 1
690 . 1 1 61 61 GLY N N 15 108.038 0.25 . . . . . A 400 GLY N . 18650 1
691 . 1 1 62 62 LYS H H 1 9.030 0.01 . . . . . A 401 LYS H . 18650 1
692 . 1 1 62 62 LYS HA H 1 4.079 0.01 . . . . . A 401 LYS HA . 18650 1
693 . 1 1 62 62 LYS HB2 H 1 1.859 0.01 . . . . . A 401 LYS HB2 . 18650 2
694 . 1 1 62 62 LYS HB3 H 1 1.859 0.01 . . . . . A 401 LYS HB3 . 18650 2
695 . 1 1 62 62 LYS HG2 H 1 1.503 0.01 . . . . . A 401 LYS HG2 . 18650 2
696 . 1 1 62 62 LYS HG3 H 1 1.503 0.01 . . . . . A 401 LYS HG3 . 18650 2
697 . 1 1 62 62 LYS HD2 H 1 1.667 0.01 . . . . . A 401 LYS HD2 . 18650 2
698 . 1 1 62 62 LYS HD3 H 1 1.667 0.01 . . . . . A 401 LYS HD3 . 18650 2
699 . 1 1 62 62 LYS HE2 H 1 2.987 0.01 . . . . . A 401 LYS HE2 . 18650 2
700 . 1 1 62 62 LYS HE3 H 1 2.987 0.01 . . . . . A 401 LYS HE3 . 18650 2
701 . 1 1 62 62 LYS CA C 13 58.173 0.25 . . . . . A 401 LYS CA . 18650 1
702 . 1 1 62 62 LYS CB C 13 32.142 0.25 . . . . . A 401 LYS CB . 18650 1
703 . 1 1 62 62 LYS CG C 13 24.771 0.25 . . . . . A 401 LYS CG . 18650 1
704 . 1 1 62 62 LYS CD C 13 28.896 0.25 . . . . . A 401 LYS CD . 18650 1
705 . 1 1 62 62 LYS CE C 13 41.773 0.25 . . . . . A 401 LYS CE . 18650 1
706 . 1 1 62 62 LYS N N 15 125.690 0.25 . . . . . A 401 LYS N . 18650 1
707 . 1 1 63 63 ALA H H 1 7.704 0.01 . . . . . A 402 ALA H . 18650 1
708 . 1 1 63 63 ALA HA H 1 4.408 0.01 . . . . . A 402 ALA HA . 18650 1
709 . 1 1 63 63 ALA HB1 H 1 1.471 0.01 . . . . . A 402 ALA HB1 . 18650 1
710 . 1 1 63 63 ALA HB2 H 1 1.471 0.01 . . . . . A 402 ALA HB2 . 18650 1
711 . 1 1 63 63 ALA HB3 H 1 1.471 0.01 . . . . . A 402 ALA HB3 . 18650 1
712 . 1 1 63 63 ALA CA C 13 51.366 0.25 . . . . . A 402 ALA CA . 18650 1
713 . 1 1 63 63 ALA CB C 13 18.726 0.25 . . . . . A 402 ALA CB . 18650 1
714 . 1 1 63 63 ALA N N 15 119.331 0.25 . . . . . A 402 ALA N . 18650 1
715 . 1 1 64 64 CYS H H 1 7.572 0.01 . . . . . A 403 CYS H . 18650 1
716 . 1 1 64 64 CYS HA H 1 3.830 0.01 . . . . . A 403 CYS HA . 18650 1
717 . 1 1 64 64 CYS HB2 H 1 2.849 0.01 . . . . . A 403 CYS HB2 . 18650 1
718 . 1 1 64 64 CYS HB3 H 1 2.810 0.01 . . . . . A 403 CYS HB3 . 18650 1
719 . 1 1 64 64 CYS CA C 13 62.140 0.25 . . . . . A 403 CYS CA . 18650 1
720 . 1 1 64 64 CYS CB C 13 29.640 0.25 . . . . . A 403 CYS CB . 18650 1
721 . 1 1 64 64 CYS N N 15 122.035 0.25 . . . . . A 403 CYS N . 18650 1
722 . 1 1 65 65 GLN H H 1 9.043 0.01 . . . . . A 404 GLN H . 18650 1
723 . 1 1 65 65 GLN HA H 1 4.458 0.01 . . . . . A 404 GLN HA . 18650 1
724 . 1 1 65 65 GLN HB2 H 1 1.875 0.01 . . . . . A 404 GLN HB2 . 18650 2
725 . 1 1 65 65 GLN HB3 H 1 2.400 0.01 . . . . . A 404 GLN HB3 . 18650 2
726 . 1 1 65 65 GLN HG2 H 1 2.394 0.01 . . . . . A 404 GLN HG2 . 18650 2
727 . 1 1 65 65 GLN HG3 H 1 2.468 0.01 . . . . . A 404 GLN HG3 . 18650 2
728 . 1 1 65 65 GLN HE21 H 1 7.518 0.01 . . . . . A 404 GLN HE21 . 18650 2
729 . 1 1 65 65 GLN HE22 H 1 6.890 0.01 . . . . . A 404 GLN HE22 . 18650 2
730 . 1 1 65 65 GLN CA C 13 55.450 0.25 . . . . . A 404 GLN CA . 18650 1
731 . 1 1 65 65 GLN CB C 13 29.291 0.25 . . . . . A 404 GLN CB . 18650 1
732 . 1 1 65 65 GLN CG C 13 34.015 0.25 . . . . . A 404 GLN CG . 18650 1
733 . 1 1 65 65 GLN N N 15 128.958 0.25 . . . . . A 404 GLN N . 18650 1
734 . 1 1 65 65 GLN NE2 N 15 113.041 0.25 . . . . . A 404 GLN NE2 . 18650 1
735 . 1 1 66 66 VAL H H 1 9.307 0.01 . . . . . A 405 VAL H . 18650 1
736 . 1 1 66 66 VAL HA H 1 3.601 0.01 . . . . . A 405 VAL HA . 18650 1
737 . 1 1 66 66 VAL HB H 1 1.811 0.01 . . . . . A 405 VAL HB . 18650 1
738 . 1 1 66 66 VAL HG11 H 1 0.611 0.01 . . . . . A 405 VAL HG11 . 18650 1
739 . 1 1 66 66 VAL HG12 H 1 0.611 0.01 . . . . . A 405 VAL HG12 . 18650 1
740 . 1 1 66 66 VAL HG13 H 1 0.611 0.01 . . . . . A 405 VAL HG13 . 18650 1
741 . 1 1 66 66 VAL HG21 H 1 0.392 0.01 . . . . . A 405 VAL HG21 . 18650 1
742 . 1 1 66 66 VAL HG22 H 1 0.392 0.01 . . . . . A 405 VAL HG22 . 18650 1
743 . 1 1 66 66 VAL HG23 H 1 0.392 0.01 . . . . . A 405 VAL HG23 . 18650 1
744 . 1 1 66 66 VAL CA C 13 64.097 0.25 . . . . . A 405 VAL CA . 18650 1
745 . 1 1 66 66 VAL CB C 13 30.651 0.25 . . . . . A 405 VAL CB . 18650 1
746 . 1 1 66 66 VAL CG1 C 13 22.665 0.25 . . . . . A 405 VAL CG1 . 18650 2
747 . 1 1 66 66 VAL CG2 C 13 20.081 0.25 . . . . . A 405 VAL CG2 . 18650 2
748 . 1 1 66 66 VAL N N 15 127.696 0.25 . . . . . A 405 VAL N . 18650 1
749 . 1 1 67 67 ALA H H 1 8.536 0.01 . . . . . A 406 ALA H . 18650 1
750 . 1 1 67 67 ALA HA H 1 3.811 0.01 . . . . . A 406 ALA HA . 18650 1
751 . 1 1 67 67 ALA HB1 H 1 0.787 0.01 . . . . . A 406 ALA HB1 . 18650 1
752 . 1 1 67 67 ALA HB2 H 1 0.787 0.01 . . . . . A 406 ALA HB2 . 18650 1
753 . 1 1 67 67 ALA HB3 H 1 0.787 0.01 . . . . . A 406 ALA HB3 . 18650 1
754 . 1 1 67 67 ALA CA C 13 53.841 0.25 . . . . . A 406 ALA CA . 18650 1
755 . 1 1 67 67 ALA CB C 13 17.305 0.25 . . . . . A 406 ALA CB . 18650 1
756 . 1 1 67 67 ALA N N 15 133.846 0.25 . . . . . A 406 ALA N . 18650 1
757 . 1 1 68 68 HIS H H 1 8.103 0.01 . . . . . A 407 HIS H . 18650 1
758 . 1 1 68 68 HIS HA H 1 4.504 0.01 . . . . . A 407 HIS HA . 18650 1
759 . 1 1 68 68 HIS HB2 H 1 3.629 0.01 . . . . . A 407 HIS HB2 . 18650 1
760 . 1 1 68 68 HIS HB3 H 1 2.930 0.01 . . . . . A 407 HIS HB3 . 18650 1
761 . 1 1 68 68 HIS HD2 H 1 6.583 0.01 . . . . . A 407 HIS HD2 . 18650 1
762 . 1 1 68 68 HIS HE1 H 1 7.227 0.01 . . . . . A 407 HIS HE1 . 18650 1
763 . 1 1 68 68 HIS CA C 13 56.402 0.25 . . . . . A 407 HIS CA . 18650 1
764 . 1 1 68 68 HIS CB C 13 29.432 0.25 . . . . . A 407 HIS CB . 18650 1
765 . 1 1 68 68 HIS CD2 C 13 118.610 0.25 . . . . . A 407 HIS CD2 . 18650 1
766 . 1 1 68 68 HIS CE1 C 13 136.956 0.25 . . . . . A 407 HIS CE1 . 18650 1
767 . 1 1 68 68 HIS N N 15 111.325 0.25 . . . . . A 407 HIS N . 18650 1
768 . 1 1 69 69 CYS H H 1 8.055 0.01 . . . . . A 408 CYS H . 18650 1
769 . 1 1 69 69 CYS HA H 1 4.129 0.01 . . . . . A 408 CYS HA . 18650 1
770 . 1 1 69 69 CYS HB2 H 1 2.535 0.01 . . . . . A 408 CYS HB2 . 18650 1
771 . 1 1 69 69 CYS HB3 H 1 3.294 0.01 . . . . . A 408 CYS HB3 . 18650 1
772 . 1 1 69 69 CYS CA C 13 63.769 0.25 . . . . . A 408 CYS CA . 18650 1
773 . 1 1 69 69 CYS CB C 13 29.841 0.25 . . . . . A 408 CYS CB . 18650 1
774 . 1 1 69 69 CYS N N 15 126.655 0.25 . . . . . A 408 CYS N . 18650 1
775 . 1 1 70 70 ALA H H 1 8.828 0.01 . . . . . A 409 ALA H . 18650 1
776 . 1 1 70 70 ALA HA H 1 4.267 0.01 . . . . . A 409 ALA HA . 18650 1
777 . 1 1 70 70 ALA HB1 H 1 1.492 0.01 . . . . . A 409 ALA HB1 . 18650 1
778 . 1 1 70 70 ALA HB2 H 1 1.492 0.01 . . . . . A 409 ALA HB2 . 18650 1
779 . 1 1 70 70 ALA HB3 H 1 1.492 0.01 . . . . . A 409 ALA HB3 . 18650 1
780 . 1 1 70 70 ALA CA C 13 55.279 0.25 . . . . . A 409 ALA CA . 18650 1
781 . 1 1 70 70 ALA CB C 13 17.492 0.25 . . . . . A 409 ALA CB . 18650 1
782 . 1 1 70 70 ALA N N 15 118.600 0.25 . . . . . A 409 ALA N . 18650 1
783 . 1 1 71 71 SER H H 1 8.978 0.01 . . . . . A 410 SER H . 18650 1
784 . 1 1 71 71 SER HA H 1 4.129 0.01 . . . . . A 410 SER HA . 18650 1
785 . 1 1 71 71 SER HB2 H 1 3.720 0.01 . . . . . A 410 SER HB2 . 18650 2
786 . 1 1 71 71 SER HB3 H 1 3.720 0.01 . . . . . A 410 SER HB3 . 18650 2
787 . 1 1 71 71 SER CA C 13 60.622 0.25 . . . . . A 410 SER CA . 18650 1
788 . 1 1 71 71 SER CB C 13 60.969 0.25 . . . . . A 410 SER CB . 18650 1
789 . 1 1 71 71 SER N N 15 114.670 0.25 . . . . . A 410 SER N . 18650 1
790 . 1 1 72 72 SER H H 1 7.804 0.01 . . . . . A 411 SER H . 18650 1
791 . 1 1 72 72 SER HA H 1 3.940 0.01 . . . . . A 411 SER HA . 18650 1
792 . 1 1 72 72 SER HB2 H 1 4.388 0.01 . . . . . A 411 SER HB2 . 18650 2
793 . 1 1 72 72 SER HB3 H 1 4.423 0.01 . . . . . A 411 SER HB3 . 18650 2
794 . 1 1 72 72 SER CA C 13 62.377 0.25 . . . . . A 411 SER CA . 18650 1
795 . 1 1 72 72 SER CB C 13 63.551 0.25 . . . . . A 411 SER CB . 18650 1
796 . 1 1 72 72 SER N N 15 120.197 0.25 . . . . . A 411 SER N . 18650 1
797 . 1 1 73 73 ARG H H 1 8.816 0.01 . . . . . A 412 ARG H . 18650 1
798 . 1 1 73 73 ARG HA H 1 3.725 0.01 . . . . . A 412 ARG HA . 18650 1
799 . 1 1 73 73 ARG HB2 H 1 1.995 0.01 . . . . . A 412 ARG HB2 . 18650 2
800 . 1 1 73 73 ARG HB3 H 1 1.864 0.01 . . . . . A 412 ARG HB3 . 18650 2
801 . 1 1 73 73 ARG HG2 H 1 1.470 0.01 . . . . . A 412 ARG HG2 . 18650 2
802 . 1 1 73 73 ARG HG3 H 1 1.470 0.01 . . . . . A 412 ARG HG3 . 18650 2
803 . 1 1 73 73 ARG HD2 H 1 3.209 0.01 . . . . . A 412 ARG HD2 . 18650 2
804 . 1 1 73 73 ARG HD3 H 1 3.257 0.01 . . . . . A 412 ARG HD3 . 18650 2
805 . 1 1 73 73 ARG CA C 13 60.485 0.25 . . . . . A 412 ARG CA . 18650 1
806 . 1 1 73 73 ARG CB C 13 30.174 0.25 . . . . . A 412 ARG CB . 18650 1
807 . 1 1 73 73 ARG CG C 13 28.208 0.25 . . . . . A 412 ARG CG . 18650 1
808 . 1 1 73 73 ARG CD C 13 43.280 0.25 . . . . . A 412 ARG CD . 18650 1
809 . 1 1 73 73 ARG N N 15 122.444 0.25 . . . . . A 412 ARG N . 18650 1
810 . 1 1 74 74 GLN H H 1 8.051 0.01 . . . . . A 413 GLN H . 18650 1
811 . 1 1 74 74 GLN HA H 1 3.842 0.01 . . . . . A 413 GLN HA . 18650 1
812 . 1 1 74 74 GLN HB2 H 1 2.274 0.01 . . . . . A 413 GLN HB2 . 18650 2
813 . 1 1 74 74 GLN HB3 H 1 2.470 0.01 . . . . . A 413 GLN HB3 . 18650 2
814 . 1 1 74 74 GLN HG2 H 1 2.112 0.01 . . . . . A 413 GLN HG2 . 18650 2
815 . 1 1 74 74 GLN HG3 H 1 2.555 0.01 . . . . . A 413 GLN HG3 . 18650 2
816 . 1 1 74 74 GLN HE21 H 1 7.974 0.01 . . . . . A 413 GLN HE21 . 18650 2
817 . 1 1 74 74 GLN HE22 H 1 6.622 0.01 . . . . . A 413 GLN HE22 . 18650 2
818 . 1 1 74 74 GLN CA C 13 59.265 0.25 . . . . . A 413 GLN CA . 18650 1
819 . 1 1 74 74 GLN CB C 13 29.153 0.25 . . . . . A 413 GLN CB . 18650 1
820 . 1 1 74 74 GLN CG C 13 34.071 0.25 . . . . . A 413 GLN CG . 18650 1
821 . 1 1 74 74 GLN N N 15 119.054 0.25 . . . . . A 413 GLN N . 18650 1
822 . 1 1 74 74 GLN NE2 N 15 110.390 0.25 . . . . . A 413 GLN NE2 . 18650 1
823 . 1 1 75 75 ILE H H 1 8.254 0.01 . . . . . A 414 ILE H . 18650 1
824 . 1 1 75 75 ILE HA H 1 3.511 0.01 . . . . . A 414 ILE HA . 18650 1
825 . 1 1 75 75 ILE HB H 1 1.735 0.01 . . . . . A 414 ILE HB . 18650 1
826 . 1 1 75 75 ILE HG12 H 1 0.743 0.01 . . . . . A 414 ILE HG12 . 18650 1
827 . 1 1 75 75 ILE HG13 H 1 1.922 0.01 . . . . . A 414 ILE HG13 . 18650 1
828 . 1 1 75 75 ILE HG21 H 1 0.740 0.01 . . . . . A 414 ILE HG21 . 18650 1
829 . 1 1 75 75 ILE HG22 H 1 0.740 0.01 . . . . . A 414 ILE HG22 . 18650 1
830 . 1 1 75 75 ILE HG23 H 1 0.740 0.01 . . . . . A 414 ILE HG23 . 18650 1
831 . 1 1 75 75 ILE HD11 H 1 0.610 0.01 . . . . . A 414 ILE HD11 . 18650 1
832 . 1 1 75 75 ILE HD12 H 1 0.610 0.01 . . . . . A 414 ILE HD12 . 18650 1
833 . 1 1 75 75 ILE HD13 H 1 0.610 0.01 . . . . . A 414 ILE HD13 . 18650 1
834 . 1 1 75 75 ILE CA C 13 66.207 0.25 . . . . . A 414 ILE CA . 18650 1
835 . 1 1 75 75 ILE CB C 13 38.357 0.25 . . . . . A 414 ILE CB . 18650 1
836 . 1 1 75 75 ILE CG1 C 13 30.136 0.25 . . . . . A 414 ILE CG1 . 18650 1
837 . 1 1 75 75 ILE CG2 C 13 18.328 0.25 . . . . . A 414 ILE CG2 . 18650 1
838 . 1 1 75 75 ILE CD1 C 13 13.960 0.25 . . . . . A 414 ILE CD1 . 18650 1
839 . 1 1 75 75 ILE N N 15 120.354 0.25 . . . . . A 414 ILE N . 18650 1
840 . 1 1 76 76 ILE H H 1 8.912 0.01 . . . . . A 415 ILE H . 18650 1
841 . 1 1 76 76 ILE HA H 1 3.665 0.01 . . . . . A 415 ILE HA . 18650 1
842 . 1 1 76 76 ILE HB H 1 1.818 0.01 . . . . . A 415 ILE HB . 18650 1
843 . 1 1 76 76 ILE HG12 H 1 0.878 0.01 . . . . . A 415 ILE HG12 . 18650 1
844 . 1 1 76 76 ILE HG13 H 1 1.822 0.01 . . . . . A 415 ILE HG13 . 18650 1
845 . 1 1 76 76 ILE HG21 H 1 0.867 0.01 . . . . . A 415 ILE HG21 . 18650 1
846 . 1 1 76 76 ILE HG22 H 1 0.867 0.01 . . . . . A 415 ILE HG22 . 18650 1
847 . 1 1 76 76 ILE HG23 H 1 0.867 0.01 . . . . . A 415 ILE HG23 . 18650 1
848 . 1 1 76 76 ILE HD11 H 1 0.714 0.01 . . . . . A 415 ILE HD11 . 18650 1
849 . 1 1 76 76 ILE HD12 H 1 0.714 0.01 . . . . . A 415 ILE HD12 . 18650 1
850 . 1 1 76 76 ILE HD13 H 1 0.714 0.01 . . . . . A 415 ILE HD13 . 18650 1
851 . 1 1 76 76 ILE CA C 13 65.422 0.25 . . . . . A 415 ILE CA . 18650 1
852 . 1 1 76 76 ILE CB C 13 37.426 0.25 . . . . . A 415 ILE CB . 18650 1
853 . 1 1 76 76 ILE CG1 C 13 29.249 0.25 . . . . . A 415 ILE CG1 . 18650 1
854 . 1 1 76 76 ILE CG2 C 13 18.099 0.25 . . . . . A 415 ILE CG2 . 18650 1
855 . 1 1 76 76 ILE CD1 C 13 13.648 0.25 . . . . . A 415 ILE CD1 . 18650 1
856 . 1 1 76 76 ILE N N 15 120.297 0.25 . . . . . A 415 ILE N . 18650 1
857 . 1 1 77 77 SER H H 1 8.296 0.01 . . . . . A 416 SER H . 18650 1
858 . 1 1 77 77 SER HA H 1 4.045 0.01 . . . . . A 416 SER HA . 18650 1
859 . 1 1 77 77 SER HB2 H 1 3.844 0.01 . . . . . A 416 SER HB2 . 18650 2
860 . 1 1 77 77 SER HB3 H 1 3.857 0.01 . . . . . A 416 SER HB3 . 18650 2
861 . 1 1 77 77 SER CA C 13 62.491 0.25 . . . . . A 416 SER CA . 18650 1
862 . 1 1 77 77 SER CB C 13 63.649 0.25 . . . . . A 416 SER CB . 18650 1
863 . 1 1 77 77 SER N N 15 114.679 0.25 . . . . . A 416 SER N . 18650 1
864 . 1 1 78 78 HIS H H 1 8.154 0.01 . . . . . A 417 HIS H . 18650 1
865 . 1 1 78 78 HIS HA H 1 4.098 0.01 . . . . . A 417 HIS HA . 18650 1
866 . 1 1 78 78 HIS HB2 H 1 3.524 0.01 . . . . . A 417 HIS HB2 . 18650 1
867 . 1 1 78 78 HIS HB3 H 1 3.141 0.01 . . . . . A 417 HIS HB3 . 18650 1
868 . 1 1 78 78 HIS HD2 H 1 7.266 0.01 . . . . . A 417 HIS HD2 . 18650 1
869 . 1 1 78 78 HIS HE1 H 1 8.206 0.01 . . . . . A 417 HIS HE1 . 18650 1
870 . 1 1 78 78 HIS CA C 13 60.692 0.25 . . . . . A 417 HIS CA . 18650 1
871 . 1 1 78 78 HIS CB C 13 27.590 0.25 . . . . . A 417 HIS CB . 18650 1
872 . 1 1 78 78 HIS CD2 C 13 131.367 0.25 . . . . . A 417 HIS CD2 . 18650 1
873 . 1 1 78 78 HIS CE1 C 13 140.084 0.25 . . . . . A 417 HIS CE1 . 18650 1
874 . 1 1 78 78 HIS N N 15 118.759 0.25 . . . . . A 417 HIS N . 18650 1
875 . 1 1 79 79 TRP H H 1 8.579 0.01 . . . . . A 418 TRP H . 18650 1
876 . 1 1 79 79 TRP HA H 1 4.545 0.01 . . . . . A 418 TRP HA . 18650 1
877 . 1 1 79 79 TRP HB2 H 1 3.444 0.01 . . . . . A 418 TRP HB2 . 18650 1
878 . 1 1 79 79 TRP HB3 H 1 3.403 0.01 . . . . . A 418 TRP HB3 . 18650 1
879 . 1 1 79 79 TRP HD1 H 1 6.964 0.01 . . . . . A 418 TRP HD1 . 18650 1
880 . 1 1 79 79 TRP HE1 H 1 10.448 0.01 . . . . . A 418 TRP HE1 . 18650 1
881 . 1 1 79 79 TRP HE3 H 1 7.234 0.01 . . . . . A 418 TRP HE3 . 18650 1
882 . 1 1 79 79 TRP HZ2 H 1 7.604 0.01 . . . . . A 418 TRP HZ2 . 18650 1
883 . 1 1 79 79 TRP HZ3 H 1 6.684 0.01 . . . . . A 418 TRP HZ3 . 18650 1
884 . 1 1 79 79 TRP HH2 H 1 6.991 0.01 . . . . . A 418 TRP HH2 . 18650 1
885 . 1 1 79 79 TRP CA C 13 59.574 0.25 . . . . . A 418 TRP CA . 18650 1
886 . 1 1 79 79 TRP CB C 13 30.370 0.25 . . . . . A 418 TRP CB . 18650 1
887 . 1 1 79 79 TRP CD1 C 13 126.041 0.25 . . . . . A 418 TRP CD1 . 18650 1
888 . 1 1 79 79 TRP CE3 C 13 121.293 0.25 . . . . . A 418 TRP CE3 . 18650 1
889 . 1 1 79 79 TRP CZ2 C 13 114.500 0.25 . . . . . A 418 TRP CZ2 . 18650 1
890 . 1 1 79 79 TRP CZ3 C 13 128.032 0.25 . . . . . A 418 TRP CZ3 . 18650 1
891 . 1 1 79 79 TRP CH2 C 13 123.984 0.25 . . . . . A 418 TRP CH2 . 18650 1
892 . 1 1 79 79 TRP N N 15 119.670 0.25 . . . . . A 418 TRP N . 18650 1
893 . 1 1 79 79 TRP NE1 N 15 129.419 0.25 . . . . . A 418 TRP NE1 . 18650 1
894 . 1 1 80 80 LYS H H 1 8.715 0.01 . . . . . A 419 LYS H . 18650 1
895 . 1 1 80 80 LYS HA H 1 3.755 0.01 . . . . . A 419 LYS HA . 18650 1
896 . 1 1 80 80 LYS HB2 H 1 1.757 0.01 . . . . . A 419 LYS HB2 . 18650 2
897 . 1 1 80 80 LYS HB3 H 1 1.887 0.01 . . . . . A 419 LYS HB3 . 18650 2
898 . 1 1 80 80 LYS HG2 H 1 1.445 0.01 . . . . . A 419 LYS HG2 . 18650 2
899 . 1 1 80 80 LYS HG3 H 1 1.461 0.01 . . . . . A 419 LYS HG3 . 18650 2
900 . 1 1 80 80 LYS HD2 H 1 1.600 0.01 . . . . . A 419 LYS HD2 . 18650 2
901 . 1 1 80 80 LYS HD3 H 1 1.600 0.01 . . . . . A 419 LYS HD3 . 18650 2
902 . 1 1 80 80 LYS HE2 H 1 2.958 0.01 . . . . . A 419 LYS HE2 . 18650 2
903 . 1 1 80 80 LYS HE3 H 1 2.958 0.01 . . . . . A 419 LYS HE3 . 18650 2
904 . 1 1 80 80 LYS CA C 13 57.746 0.25 . . . . . A 419 LYS CA . 18650 1
905 . 1 1 80 80 LYS CB C 13 32.513 0.25 . . . . . A 419 LYS CB . 18650 1
906 . 1 1 80 80 LYS CG C 13 24.496 0.25 . . . . . A 419 LYS CG . 18650 1
907 . 1 1 80 80 LYS CD C 13 28.699 0.25 . . . . . A 419 LYS CD . 18650 1
908 . 1 1 80 80 LYS CE C 13 41.470 0.25 . . . . . A 419 LYS CE . 18650 1
909 . 1 1 80 80 LYS N N 15 115.605 0.25 . . . . . A 419 LYS N . 18650 1
910 . 1 1 81 81 ASN H H 1 7.306 0.01 . . . . . A 420 ASN H . 18650 1
911 . 1 1 81 81 ASN HA H 1 4.716 0.01 . . . . . A 420 ASN HA . 18650 1
912 . 1 1 81 81 ASN HB2 H 1 2.677 0.01 . . . . . A 420 ASN HB2 . 18650 2
913 . 1 1 81 81 ASN HB3 H 1 2.535 0.01 . . . . . A 420 ASN HB3 . 18650 2
914 . 1 1 81 81 ASN HD21 H 1 7.707 0.01 . . . . . A 420 ASN HD21 . 18650 2
915 . 1 1 81 81 ASN HD22 H 1 7.213 0.01 . . . . . A 420 ASN HD22 . 18650 2
916 . 1 1 81 81 ASN CA C 13 53.191 0.25 . . . . . A 420 ASN CA . 18650 1
917 . 1 1 81 81 ASN CB C 13 40.904 0.25 . . . . . A 420 ASN CB . 18650 1
918 . 1 1 81 81 ASN N N 15 113.382 0.25 . . . . . A 420 ASN N . 18650 1
919 . 1 1 81 81 ASN ND2 N 15 115.338 0.25 . . . . . A 420 ASN ND2 . 18650 1
920 . 1 1 82 82 CYS H H 1 7.705 0.01 . . . . . A 421 CYS H . 18650 1
921 . 1 1 82 82 CYS HA H 1 3.959 0.01 . . . . . A 421 CYS HA . 18650 1
922 . 1 1 82 82 CYS HB2 H 1 2.050 0.01 . . . . . A 421 CYS HB2 . 18650 1
923 . 1 1 82 82 CYS HB3 H 1 2.792 0.01 . . . . . A 421 CYS HB3 . 18650 1
924 . 1 1 82 82 CYS CA C 13 61.082 0.25 . . . . . A 421 CYS CA . 18650 1
925 . 1 1 82 82 CYS CB C 13 28.503 0.25 . . . . . A 421 CYS CB . 18650 1
926 . 1 1 82 82 CYS N N 15 124.562 0.25 . . . . . A 421 CYS N . 18650 1
927 . 1 1 83 83 THR H H 1 8.439 0.01 . . . . . A 422 THR H . 18650 1
928 . 1 1 83 83 THR HA H 1 4.474 0.01 . . . . . A 422 THR HA . 18650 1
929 . 1 1 83 83 THR HB H 1 4.506 0.01 . . . . . A 422 THR HB . 18650 1
930 . 1 1 83 83 THR HG21 H 1 1.126 0.01 . . . . . A 422 THR HG21 . 18650 1
931 . 1 1 83 83 THR HG22 H 1 1.126 0.01 . . . . . A 422 THR HG22 . 18650 1
932 . 1 1 83 83 THR HG23 H 1 1.126 0.01 . . . . . A 422 THR HG23 . 18650 1
933 . 1 1 83 83 THR CA C 13 60.577 0.25 . . . . . A 422 THR CA . 18650 1
934 . 1 1 83 83 THR CB C 13 69.190 0.25 . . . . . A 422 THR CB . 18650 1
935 . 1 1 83 83 THR CG2 C 13 21.303 0.25 . . . . . A 422 THR CG2 . 18650 1
936 . 1 1 83 83 THR N N 15 118.459 0.25 . . . . . A 422 THR N . 18650 1
937 . 1 1 84 84 ARG HA H 1 3.944 0.01 . . . . . A 423 ARG HA . 18650 1
938 . 1 1 84 84 ARG HB2 H 1 2.068 0.01 . . . . . A 423 ARG HB2 . 18650 2
939 . 1 1 84 84 ARG HB3 H 1 2.068 0.01 . . . . . A 423 ARG HB3 . 18650 2
940 . 1 1 84 84 ARG HG2 H 1 1.806 0.01 . . . . . A 423 ARG HG2 . 18650 2
941 . 1 1 84 84 ARG HG3 H 1 1.717 0.01 . . . . . A 423 ARG HG3 . 18650 2
942 . 1 1 84 84 ARG HD2 H 1 3.263 0.01 . . . . . A 423 ARG HD2 . 18650 2
943 . 1 1 84 84 ARG HD3 H 1 3.320 0.01 . . . . . A 423 ARG HD3 . 18650 2
944 . 1 1 84 84 ARG CA C 13 59.203 0.25 . . . . . A 423 ARG CA . 18650 1
945 . 1 1 84 84 ARG CB C 13 28.562 0.25 . . . . . A 423 ARG CB . 18650 1
946 . 1 1 84 84 ARG CG C 13 26.082 0.25 . . . . . A 423 ARG CG . 18650 1
947 . 1 1 84 84 ARG CD C 13 42.431 0.25 . . . . . A 423 ARG CD . 18650 1
948 . 1 1 85 85 HIS HA H 1 4.117 0.01 . . . . . A 424 HIS HA . 18650 1
949 . 1 1 85 85 HIS HB2 H 1 3.180 0.01 . . . . . A 424 HIS HB2 . 18650 1
950 . 1 1 85 85 HIS HB3 H 1 3.180 0.01 . . . . . A 424 HIS HB3 . 18650 1
951 . 1 1 85 85 HIS HD2 H 1 7.208 0.01 . . . . . A 424 HIS HD2 . 18650 1
952 . 1 1 85 85 HIS CA C 13 60.267 0.25 . . . . . A 424 HIS CA . 18650 1
953 . 1 1 85 85 HIS CB C 13 27.061 0.25 . . . . . A 424 HIS CB . 18650 1
954 . 1 1 85 85 HIS CD2 C 13 131.696 0.25 . . . . . A 424 HIS CD2 . 18650 1
955 . 1 1 86 86 ASP H H 1 8.045 0.01 . . . . . A 425 ASP H . 18650 1
956 . 1 1 86 86 ASP HA H 1 4.510 0.01 . . . . . A 425 ASP HA . 18650 1
957 . 1 1 86 86 ASP HB2 H 1 2.814 0.01 . . . . . A 425 ASP HB2 . 18650 2
958 . 1 1 86 86 ASP HB3 H 1 2.195 0.01 . . . . . A 425 ASP HB3 . 18650 2
959 . 1 1 86 86 ASP CA C 13 51.432 0.25 . . . . . A 425 ASP CA . 18650 1
960 . 1 1 86 86 ASP CB C 13 39.446 0.25 . . . . . A 425 ASP CB . 18650 1
961 . 1 1 86 86 ASP N N 15 116.294 0.25 . . . . . A 425 ASP N . 18650 1
962 . 1 1 87 87 CYS H H 1 7.067 0.01 . . . . . A 426 CYS H . 18650 1
963 . 1 1 87 87 CYS HA H 1 4.348 0.01 . . . . . A 426 CYS HA . 18650 1
964 . 1 1 87 87 CYS HB2 H 1 2.993 0.01 . . . . . A 426 CYS HB2 . 18650 1
965 . 1 1 87 87 CYS HB3 H 1 2.993 0.01 . . . . . A 426 CYS HB3 . 18650 1
966 . 1 1 87 87 CYS CA C 13 57.479 0.25 . . . . . A 426 CYS CA . 18650 1
967 . 1 1 87 87 CYS CB C 13 30.888 0.25 . . . . . A 426 CYS CB . 18650 1
968 . 1 1 87 87 CYS N N 15 122.718 0.25 . . . . . A 426 CYS N . 18650 1
969 . 1 1 88 88 PRO HA H 1 4.455 0.01 . . . . . A 427 PRO HA . 18650 1
970 . 1 1 88 88 PRO HB2 H 1 2.342 0.01 . . . . . A 427 PRO HB2 . 18650 1
971 . 1 1 88 88 PRO HG2 H 1 1.856 0.01 . . . . . A 427 PRO HG2 . 18650 1
972 . 1 1 88 88 PRO HD2 H 1 4.006 0.01 . . . . . A 427 PRO HD2 . 18650 1
973 . 1 1 88 88 PRO HD3 H 1 4.039 0.01 . . . . . A 427 PRO HD3 . 18650 1
974 . 1 1 88 88 PRO CA C 13 63.941 0.25 . . . . . A 427 PRO CA . 18650 1
975 . 1 1 88 88 PRO CB C 13 32.322 0.25 . . . . . A 427 PRO CB . 18650 1
976 . 1 1 88 88 PRO CG C 13 32.346 0.25 . . . . . A 427 PRO CG . 18650 1
977 . 1 1 88 88 PRO CD C 13 50.844 0.25 . . . . . A 427 PRO CD . 18650 1
978 . 1 1 89 89 VAL H H 1 8.345 0.01 . . . . . A 428 VAL H . 18650 1
979 . 1 1 89 89 VAL HA H 1 3.825 0.01 . . . . . A 428 VAL HA . 18650 1
980 . 1 1 89 89 VAL HB H 1 2.118 0.01 . . . . . A 428 VAL HB . 18650 1
981 . 1 1 89 89 VAL HG11 H 1 0.873 0.01 . . . . . A 428 VAL HG11 . 18650 1
982 . 1 1 89 89 VAL HG12 H 1 0.873 0.01 . . . . . A 428 VAL HG12 . 18650 1
983 . 1 1 89 89 VAL HG13 H 1 0.873 0.01 . . . . . A 428 VAL HG13 . 18650 1
984 . 1 1 89 89 VAL HG21 H 1 0.899 0.01 . . . . . A 428 VAL HG21 . 18650 1
985 . 1 1 89 89 VAL HG22 H 1 0.899 0.01 . . . . . A 428 VAL HG22 . 18650 1
986 . 1 1 89 89 VAL HG23 H 1 0.899 0.01 . . . . . A 428 VAL HG23 . 18650 1
987 . 1 1 89 89 VAL CA C 13 65.560 0.25 . . . . . A 428 VAL CA . 18650 1
988 . 1 1 89 89 VAL CB C 13 32.913 0.25 . . . . . A 428 VAL CB . 18650 1
989 . 1 1 89 89 VAL CG1 C 13 21.255 0.25 . . . . . A 428 VAL CG1 . 18650 2
990 . 1 1 89 89 VAL CG2 C 13 23.496 0.25 . . . . . A 428 VAL CG2 . 18650 2
991 . 1 1 89 89 VAL N N 15 120.185 0.25 . . . . . A 428 VAL N . 18650 1
992 . 1 1 90 90 CYS H H 1 8.626 0.01 . . . . . A 429 CYS H . 18650 1
993 . 1 1 90 90 CYS HA H 1 4.258 0.01 . . . . . A 429 CYS HA . 18650 1
994 . 1 1 90 90 CYS HB2 H 1 3.103 0.01 . . . . . A 429 CYS HB2 . 18650 1
995 . 1 1 90 90 CYS HB3 H 1 2.987 0.01 . . . . . A 429 CYS HB3 . 18650 1
996 . 1 1 90 90 CYS CA C 13 63.655 0.25 . . . . . A 429 CYS CA . 18650 1
997 . 1 1 90 90 CYS CB C 13 30.920 0.25 . . . . . A 429 CYS CB . 18650 1
998 . 1 1 90 90 CYS N N 15 119.297 0.25 . . . . . A 429 CYS N . 18650 1
999 . 1 1 91 91 LEU H H 1 7.954 0.01 . . . . . A 430 LEU H . 18650 1
1000 . 1 1 91 91 LEU HA H 1 4.218 0.01 . . . . . A 430 LEU HA . 18650 1
1001 . 1 1 91 91 LEU HB2 H 1 1.807 0.01 . . . . . A 430 LEU HB2 . 18650 2
1002 . 1 1 91 91 LEU HB3 H 1 1.844 0.01 . . . . . A 430 LEU HB3 . 18650 2
1003 . 1 1 91 91 LEU HG H 1 1.627 0.01 . . . . . A 430 LEU HG . 18650 1
1004 . 1 1 91 91 LEU HD11 H 1 0.888 0.01 . . . . . A 430 LEU HD11 . 18650 1
1005 . 1 1 91 91 LEU HD12 H 1 0.888 0.01 . . . . . A 430 LEU HD12 . 18650 1
1006 . 1 1 91 91 LEU HD13 H 1 0.888 0.01 . . . . . A 430 LEU HD13 . 18650 1
1007 . 1 1 91 91 LEU HD21 H 1 0.915 0.01 . . . . . A 430 LEU HD21 . 18650 1
1008 . 1 1 91 91 LEU HD22 H 1 0.915 0.01 . . . . . A 430 LEU HD22 . 18650 1
1009 . 1 1 91 91 LEU HD23 H 1 0.915 0.01 . . . . . A 430 LEU HD23 . 18650 1
1010 . 1 1 91 91 LEU CA C 13 59.754 0.25 . . . . . A 430 LEU CA . 18650 1
1011 . 1 1 91 91 LEU CB C 13 38.786 0.25 . . . . . A 430 LEU CB . 18650 1
1012 . 1 1 91 91 LEU CG C 13 27.573 0.25 . . . . . A 430 LEU CG . 18650 1
1013 . 1 1 91 91 LEU CD1 C 13 24.904 0.25 . . . . . A 430 LEU CD1 . 18650 2
1014 . 1 1 91 91 LEU CD2 C 13 23.765 0.25 . . . . . A 430 LEU CD2 . 18650 2
1015 . 1 1 91 91 LEU N N 15 118.856 0.25 . . . . . A 430 LEU N . 18650 1
1016 . 1 1 92 92 PRO HA H 1 4.416 0.01 . . . . . A 431 PRO HA . 18650 1
1017 . 1 1 92 92 PRO HB2 H 1 2.393 0.01 . . . . . A 431 PRO HB2 . 18650 1
1018 . 1 1 92 92 PRO HB3 H 1 1.626 0.01 . . . . . A 431 PRO HB3 . 18650 1
1019 . 1 1 92 92 PRO HG2 H 1 1.636 0.01 . . . . . A 431 PRO HG2 . 18650 1
1020 . 1 1 92 92 PRO HG3 H 1 1.930 0.01 . . . . . A 431 PRO HG3 . 18650 1
1021 . 1 1 92 92 PRO HD2 H 1 3.420 0.01 . . . . . A 431 PRO HD2 . 18650 1
1022 . 1 1 92 92 PRO HD3 H 1 3.653 0.01 . . . . . A 431 PRO HD3 . 18650 1
1023 . 1 1 92 92 PRO CA C 13 65.095 0.25 . . . . . A 431 PRO CA . 18650 1
1024 . 1 1 92 92 PRO CB C 13 31.222 0.25 . . . . . A 431 PRO CB . 18650 1
1025 . 1 1 92 92 PRO CG C 13 27.050 0.25 . . . . . A 431 PRO CG . 18650 1
1026 . 1 1 92 92 PRO CD C 13 49.868 0.25 . . . . . A 431 PRO CD . 18650 1
1027 . 1 1 93 93 LEU H H 1 7.349 0.01 . . . . . A 432 LEU H . 18650 1
1028 . 1 1 93 93 LEU HA H 1 4.372 0.01 . . . . . A 432 LEU HA . 18650 1
1029 . 1 1 93 93 LEU HB2 H 1 2.191 0.01 . . . . . A 432 LEU HB2 . 18650 2
1030 . 1 1 93 93 LEU HB3 H 1 1.711 0.01 . . . . . A 432 LEU HB3 . 18650 2
1031 . 1 1 93 93 LEU HG H 1 1.715 0.01 . . . . . A 432 LEU HG . 18650 1
1032 . 1 1 93 93 LEU HD11 H 1 0.600 0.01 . . . . . A 432 LEU HD11 . 18650 1
1033 . 1 1 93 93 LEU HD12 H 1 0.600 0.01 . . . . . A 432 LEU HD12 . 18650 1
1034 . 1 1 93 93 LEU HD13 H 1 0.600 0.01 . . . . . A 432 LEU HD13 . 18650 1
1035 . 1 1 93 93 LEU HD21 H 1 0.768 0.01 . . . . . A 432 LEU HD21 . 18650 1
1036 . 1 1 93 93 LEU HD22 H 1 0.768 0.01 . . . . . A 432 LEU HD22 . 18650 1
1037 . 1 1 93 93 LEU HD23 H 1 0.768 0.01 . . . . . A 432 LEU HD23 . 18650 1
1038 . 1 1 93 93 LEU CA C 13 56.160 0.25 . . . . . A 432 LEU CA . 18650 1
1039 . 1 1 93 93 LEU CB C 13 42.085 0.25 . . . . . A 432 LEU CB . 18650 1
1040 . 1 1 93 93 LEU CG C 13 27.995 0.25 . . . . . A 432 LEU CG . 18650 1
1041 . 1 1 93 93 LEU CD1 C 13 23.714 0.25 . . . . . A 432 LEU CD1 . 18650 2
1042 . 1 1 93 93 LEU CD2 C 13 25.624 0.25 . . . . . A 432 LEU CD2 . 18650 2
1043 . 1 1 93 93 LEU N N 15 115.437 0.25 . . . . . A 432 LEU N . 18650 1
1044 . 1 1 94 94 LYS H H 1 8.060 0.01 . . . . . A 433 LYS H . 18650 1
1045 . 1 1 94 94 LYS HA H 1 4.338 0.01 . . . . . A 433 LYS HA . 18650 1
1046 . 1 1 94 94 LYS HB2 H 1 1.897 0.01 . . . . . A 433 LYS HB2 . 18650 2
1047 . 1 1 94 94 LYS HB3 H 1 1.481 0.01 . . . . . A 433 LYS HB3 . 18650 2
1048 . 1 1 94 94 LYS HG2 H 1 1.670 0.01 . . . . . A 433 LYS HG2 . 18650 2
1049 . 1 1 94 94 LYS HG3 H 1 1.479 0.01 . . . . . A 433 LYS HG3 . 18650 2
1050 . 1 1 94 94 LYS HD2 H 1 1.566 0.01 . . . . . A 433 LYS HD2 . 18650 2
1051 . 1 1 94 94 LYS HD3 H 1 1.533 0.01 . . . . . A 433 LYS HD3 . 18650 2
1052 . 1 1 94 94 LYS HE2 H 1 2.654 0.01 . . . . . A 433 LYS HE2 . 18650 2
1053 . 1 1 94 94 LYS HE3 H 1 2.518 0.01 . . . . . A 433 LYS HE3 . 18650 2
1054 . 1 1 94 94 LYS CA C 13 57.718 0.25 . . . . . A 433 LYS CA . 18650 1
1055 . 1 1 94 94 LYS CB C 13 32.342 0.25 . . . . . A 433 LYS CB . 18650 1
1056 . 1 1 94 94 LYS CG C 13 25.753 0.25 . . . . . A 433 LYS CG . 18650 1
1057 . 1 1 94 94 LYS CD C 13 28.970 0.25 . . . . . A 433 LYS CD . 18650 1
1058 . 1 1 94 94 LYS CE C 13 41.901 0.25 . . . . . A 433 LYS CE . 18650 1
1059 . 1 1 94 94 LYS N N 15 119.003 0.25 . . . . . A 433 LYS N . 18650 1
1060 . 1 1 95 95 ASN H H 1 8.352 0.01 . . . . . A 434 ASN H . 18650 1
1061 . 1 1 95 95 ASN HA H 1 4.712 0.01 . . . . . A 434 ASN HA . 18650 1
1062 . 1 1 95 95 ASN HB2 H 1 2.871 0.01 . . . . . A 434 ASN HB2 . 18650 2
1063 . 1 1 95 95 ASN HB3 H 1 2.764 0.01 . . . . . A 434 ASN HB3 . 18650 2
1064 . 1 1 95 95 ASN HD21 H 1 7.656 0.01 . . . . . A 434 ASN HD21 . 18650 2
1065 . 1 1 95 95 ASN HD22 H 1 6.942 0.01 . . . . . A 434 ASN HD22 . 18650 2
1066 . 1 1 95 95 ASN CA C 13 53.299 0.25 . . . . . A 434 ASN CA . 18650 1
1067 . 1 1 95 95 ASN CB C 13 38.634 0.25 . . . . . A 434 ASN CB . 18650 1
1068 . 1 1 95 95 ASN N N 15 117.799 0.25 . . . . . A 434 ASN N . 18650 1
1069 . 1 1 95 95 ASN ND2 N 15 112.087 0.25 . . . . . A 434 ASN ND2 . 18650 1
1070 . 1 1 96 96 ALA H H 1 8.066 0.01 . . . . . A 435 ALA H . 18650 1
1071 . 1 1 96 96 ALA HA H 1 4.359 0.01 . . . . . A 435 ALA HA . 18650 1
1072 . 1 1 96 96 ALA HB1 H 1 1.483 0.01 . . . . . A 435 ALA HB1 . 18650 1
1073 . 1 1 96 96 ALA HB2 H 1 1.483 0.01 . . . . . A 435 ALA HB2 . 18650 1
1074 . 1 1 96 96 ALA HB3 H 1 1.483 0.01 . . . . . A 435 ALA HB3 . 18650 1
1075 . 1 1 96 96 ALA CA C 13 52.858 0.25 . . . . . A 435 ALA CA . 18650 1
1076 . 1 1 96 96 ALA CB C 13 18.974 0.25 . . . . . A 435 ALA CB . 18650 1
1077 . 1 1 96 96 ALA N N 15 123.756 0.25 . . . . . A 435 ALA N . 18650 1
1078 . 1 1 97 97 SER H H 1 8.168 0.01 . . . . . A 436 SER H . 18650 1
1079 . 1 1 97 97 SER HA H 1 4.390 0.01 . . . . . A 436 SER HA . 18650 1
1080 . 1 1 97 97 SER HB2 H 1 3.935 0.01 . . . . . A 436 SER HB2 . 18650 2
1081 . 1 1 97 97 SER HB3 H 1 3.873 0.01 . . . . . A 436 SER HB3 . 18650 2
1082 . 1 1 97 97 SER CA C 13 58.446 0.25 . . . . . A 436 SER CA . 18650 1
1083 . 1 1 97 97 SER CB C 13 63.668 0.25 . . . . . A 436 SER CB . 18650 1
1084 . 1 1 97 97 SER N N 15 113.963 0.25 . . . . . A 436 SER N . 18650 1
1085 . 1 1 98 98 ASP H H 1 8.343 0.01 . . . . . A 437 ASP H . 18650 1
1086 . 1 1 98 98 ASP HA H 1 4.622 0.01 . . . . . A 437 ASP HA . 18650 1
1087 . 1 1 98 98 ASP HB2 H 1 2.707 0.01 . . . . . A 437 ASP HB2 . 18650 2
1088 . 1 1 98 98 ASP HB3 H 1 2.693 0.01 . . . . . A 437 ASP HB3 . 18650 2
1089 . 1 1 98 98 ASP CA C 13 54.138 0.25 . . . . . A 437 ASP CA . 18650 1
1090 . 1 1 98 98 ASP CB C 13 40.988 0.25 . . . . . A 437 ASP CB . 18650 1
1091 . 1 1 98 98 ASP N N 15 122.139 0.25 . . . . . A 437 ASP N . 18650 1
1092 . 1 1 99 99 LYS H H 1 8.147 0.01 . . . . . A 438 LYS H . 18650 1
1093 . 1 1 99 99 LYS HA H 1 4.342 0.01 . . . . . A 438 LYS HA . 18650 1
1094 . 1 1 99 99 LYS HB2 H 1 1.893 0.01 . . . . . A 438 LYS HB2 . 18650 2
1095 . 1 1 99 99 LYS HB3 H 1 1.893 0.01 . . . . . A 438 LYS HB3 . 18650 2
1096 . 1 1 99 99 LYS HG2 H 1 1.465 0.01 . . . . . A 438 LYS HG2 . 18650 2
1097 . 1 1 99 99 LYS HG3 H 1 1.427 0.01 . . . . . A 438 LYS HG3 . 18650 2
1098 . 1 1 99 99 LYS HD2 H 1 1.752 0.01 . . . . . A 438 LYS HD2 . 18650 2
1099 . 1 1 99 99 LYS HD3 H 1 1.696 0.01 . . . . . A 438 LYS HD3 . 18650 2
1100 . 1 1 99 99 LYS HE2 H 1 3.002 0.01 . . . . . A 438 LYS HE2 . 18650 2
1101 . 1 1 99 99 LYS HE3 H 1 2.979 0.01 . . . . . A 438 LYS HE3 . 18650 2
1102 . 1 1 99 99 LYS CA C 13 55.989 0.25 . . . . . A 438 LYS CA . 18650 1
1103 . 1 1 99 99 LYS CB C 13 32.871 0.25 . . . . . A 438 LYS CB . 18650 1
1104 . 1 1 99 99 LYS CG C 13 24.575 0.25 . . . . . A 438 LYS CG . 18650 1
1105 . 1 1 99 99 LYS CE C 13 41.894 0.25 . . . . . A 438 LYS CE . 18650 1
1106 . 1 1 99 99 LYS N N 15 121.516 0.25 . . . . . A 438 LYS N . 18650 1
1107 . 1 1 100 100 ARG H H 1 7.996 0.01 . . . . . A 439 ARG H . 18650 1
1108 . 1 1 100 100 ARG HA H 1 4.174 0.01 . . . . . A 439 ARG HA . 18650 1
1109 . 1 1 100 100 ARG HB2 H 1 1.856 0.01 . . . . . A 439 ARG HB2 . 18650 2
1110 . 1 1 100 100 ARG HB3 H 1 1.728 0.01 . . . . . A 439 ARG HB3 . 18650 2
1111 . 1 1 100 100 ARG HG2 H 1 1.616 0.01 . . . . . A 439 ARG HG2 . 18650 2
1112 . 1 1 100 100 ARG HG3 H 1 1.616 0.01 . . . . . A 439 ARG HG3 . 18650 2
1113 . 1 1 100 100 ARG HD2 H 1 3.196 0.01 . . . . . A 439 ARG HD2 . 18650 2
1114 . 1 1 100 100 ARG CA C 13 57.262 0.25 . . . . . A 439 ARG CA . 18650 1
1115 . 1 1 100 100 ARG CB C 13 31.373 0.25 . . . . . A 439 ARG CB . 18650 1
1116 . 1 1 100 100 ARG CG C 13 27.235 0.25 . . . . . A 439 ARG CG . 18650 1
1117 . 1 1 100 100 ARG CD C 13 43.318 0.25 . . . . . A 439 ARG CD . 18650 1
1118 . 1 1 100 100 ARG N N 15 127.707 0.25 . . . . . A 439 ARG N . 18650 1
1119 . 2 2 1 1 GLY HA2 H 1 3.574 0.01 . . . . . B 421 GLY HA2 . 18650 2
1120 . 2 2 1 1 GLY HA3 H 1 3.447 0.01 . . . . . B 421 GLY HA3 . 18650 2
1121 . 2 2 1 1 GLY H H 1 8.348 0.01 . . . . . B 421 GLY H1 . 18650 1
1122 . 2 2 1 1 GLY N N 15 107.193 0.25 . . . . . B 421 GLY N . 18650 1
1123 . 2 2 2 2 SER H H 1 8.549 0.01 . . . . . B 422 SER H . 18650 1
1124 . 2 2 2 2 SER HA H 1 4.808 0.01 . . . . . B 422 SER HA . 18650 1
1125 . 2 2 2 2 SER HB2 H 1 3.904 0.01 . . . . . B 422 SER HB2 . 18650 2
1126 . 2 2 2 2 SER HB3 H 1 3.904 0.01 . . . . . B 422 SER HB3 . 18650 2
1127 . 2 2 2 2 SER CA C 13 59.694 0.25 . . . . . B 422 SER CA . 18650 1
1128 . 2 2 2 2 SER N N 15 111.016 0.25 . . . . . B 422 SER N . 18650 1
1129 . 2 2 3 3 HIS HA H 1 4.620 0.01 . . . . . B 423 HIS HA . 18650 1
1130 . 2 2 3 3 HIS HB2 H 1 3.249 0.01 . . . . . B 423 HIS HB2 . 18650 1
1131 . 2 2 3 3 HIS HB3 H 1 3.038 0.01 . . . . . B 423 HIS HB3 . 18650 1
1132 . 2 2 3 3 HIS HD2 H 1 7.058 0.01 . . . . . B 423 HIS HD2 . 18650 1
1133 . 2 2 3 3 HIS CA C 13 57.467 0.25 . . . . . B 423 HIS CA . 18650 1
1134 . 2 2 3 3 HIS CB C 13 29.877 0.25 . . . . . B 423 HIS CB . 18650 1
1135 . 2 2 3 3 HIS CD2 C 13 119.663 0.25 . . . . . B 423 HIS CD2 . 18650 1
1136 . 2 2 4 4 MET H H 1 8.372 0.01 . . . . . B 424 MET H . 18650 1
1137 . 2 2 4 4 MET HA H 1 4.419 0.01 . . . . . B 424 MET HA . 18650 1
1138 . 2 2 4 4 MET HB2 H 1 1.934 0.01 . . . . . B 424 MET HB2 . 18650 2
1139 . 2 2 4 4 MET HB3 H 1 2.026 0.01 . . . . . B 424 MET HB3 . 18650 2
1140 . 2 2 4 4 MET HG2 H 1 2.413 0.01 . . . . . B 424 MET HG2 . 18650 2
1141 . 2 2 4 4 MET HG3 H 1 2.480 0.01 . . . . . B 424 MET HG3 . 18650 2
1142 . 2 2 4 4 MET CA C 13 55.130 0.25 . . . . . B 424 MET CA . 18650 1
1143 . 2 2 4 4 MET CB C 13 32.650 0.25 . . . . . B 424 MET CB . 18650 1
1144 . 2 2 4 4 MET CG C 13 31.590 0.25 . . . . . B 424 MET CG . 18650 1
1145 . 2 2 4 4 MET N N 15 121.859 0.25 . . . . . B 424 MET N . 18650 1
1146 . 2 2 5 5 LYS H H 1 8.475 0.01 . . . . . B 425 LYS H . 18650 1
1147 . 2 2 5 5 LYS HA H 1 4.325 0.01 . . . . . B 425 LYS HA . 18650 1
1148 . 2 2 5 5 LYS HB2 H 1 1.840 0.01 . . . . . B 425 LYS HB2 . 18650 2
1149 . 2 2 5 5 LYS HB3 H 1 1.762 0.01 . . . . . B 425 LYS HB3 . 18650 2
1150 . 2 2 5 5 LYS HG2 H 1 1.452 0.01 . . . . . B 425 LYS HG2 . 18650 2
1151 . 2 2 5 5 LYS HG3 H 1 1.427 0.01 . . . . . B 425 LYS HG3 . 18650 2
1152 . 2 2 5 5 LYS HD2 H 1 1.680 0.01 . . . . . B 425 LYS HD2 . 18650 2
1153 . 2 2 5 5 LYS HD3 H 1 1.668 0.01 . . . . . B 425 LYS HD3 . 18650 2
1154 . 2 2 5 5 LYS HE2 H 1 2.968 0.01 . . . . . B 425 LYS HE2 . 18650 2
1155 . 2 2 5 5 LYS HE3 H 1 2.968 0.01 . . . . . B 425 LYS HE3 . 18650 2
1156 . 2 2 5 5 LYS CA C 13 55.932 0.25 . . . . . B 425 LYS CA . 18650 1
1157 . 2 2 5 5 LYS CB C 13 32.832 0.25 . . . . . B 425 LYS CB . 18650 1
1158 . 2 2 5 5 LYS CG C 13 24.614 0.25 . . . . . B 425 LYS CG . 18650 1
1159 . 2 2 5 5 LYS CD C 13 28.725 0.25 . . . . . B 425 LYS CD . 18650 1
1160 . 2 2 5 5 LYS CE C 13 41.609 0.25 . . . . . B 425 LYS CE . 18650 1
1161 . 2 2 5 5 LYS N N 15 123.061 0.25 . . . . . B 425 LYS N . 18650 1
1162 . 2 2 6 6 SER H H 1 8.379 0.01 . . . . . B 426 SER H . 18650 1
1163 . 2 2 6 6 SER HA H 1 4.500 0.01 . . . . . B 426 SER HA . 18650 1
1164 . 2 2 6 6 SER HB2 H 1 3.857 0.01 . . . . . B 426 SER HB2 . 18650 2
1165 . 2 2 6 6 SER HB3 H 1 3.857 0.01 . . . . . B 426 SER HB3 . 18650 2
1166 . 2 2 6 6 SER CA C 13 57.926 0.25 . . . . . B 426 SER CA . 18650 1
1167 . 2 2 6 6 SER CB C 13 63.414 0.25 . . . . . B 426 SER CB . 18650 1
1168 . 2 2 6 6 SER N N 15 117.180 0.25 . . . . . B 426 SER N . 18650 1
1169 . 2 2 7 7 THR H H 1 8.255 0.01 . . . . . B 427 THR H . 18650 1
1170 . 2 2 7 7 THR HA H 1 4.504 0.01 . . . . . B 427 THR HA . 18650 1
1171 . 2 2 7 7 THR CA C 13 63.414 0.25 . . . . . B 427 THR CA . 18650 1
1172 . 2 2 7 7 THR CB C 13 69.416 0.25 . . . . . B 427 THR CB . 18650 1
1173 . 2 2 7 7 THR N N 15 115.500 0.25 . . . . . B 427 THR N . 18650 1
1174 . 2 2 8 8 GLN H H 1 8.420 0.01 . . . . . B 428 GLN H . 18650 1
1175 . 2 2 8 8 GLN HA H 1 4.332 0.01 . . . . . B 428 GLN HA . 18650 1
1176 . 2 2 8 8 GLN HB2 H 1 2.096 0.01 . . . . . B 428 GLN HB2 . 18650 2
1177 . 2 2 8 8 GLN HB3 H 1 1.964 0.01 . . . . . B 428 GLN HB3 . 18650 2
1178 . 2 2 8 8 GLN HG2 H 1 2.342 0.01 . . . . . B 428 GLN HG2 . 18650 2
1179 . 2 2 8 8 GLN HG3 H 1 2.333 0.01 . . . . . B 428 GLN HG3 . 18650 2
1180 . 2 2 8 8 GLN CA C 13 55.422 0.25 . . . . . B 428 GLN CA . 18650 1
1181 . 2 2 8 8 GLN CB C 13 29.231 0.25 . . . . . B 428 GLN CB . 18650 1
1182 . 2 2 8 8 GLN CG C 13 33.517 0.25 . . . . . B 428 GLN CG . 18650 1
1183 . 2 2 8 8 GLN N N 15 122.482 0.25 . . . . . B 428 GLN N . 18650 1
1184 . 2 2 9 9 ALA H H 1 8.424 0.01 . . . . . B 429 ALA H . 18650 1
1185 . 2 2 9 9 ALA HA H 1 4.302 0.01 . . . . . B 429 ALA HA . 18650 1
1186 . 2 2 9 9 ALA HB1 H 1 1.373 0.01 . . . . . B 429 ALA HB1 . 18650 1
1187 . 2 2 9 9 ALA HB2 H 1 1.373 0.01 . . . . . B 429 ALA HB2 . 18650 1
1188 . 2 2 9 9 ALA HB3 H 1 1.373 0.01 . . . . . B 429 ALA HB3 . 18650 1
1189 . 2 2 9 9 ALA CA C 13 52.294 0.25 . . . . . B 429 ALA CA . 18650 1
1190 . 2 2 9 9 ALA CB C 13 18.856 0.25 . . . . . B 429 ALA CB . 18650 1
1191 . 2 2 9 9 ALA N N 15 125.454 0.25 . . . . . B 429 ALA N . 18650 1
1192 . 2 2 10 10 GLY H H 1 8.416 0.01 . . . . . B 430 GLY H . 18650 1
1193 . 2 2 10 10 GLY HA2 H 1 3.949 0.01 . . . . . B 430 GLY HA2 . 18650 2
1194 . 2 2 10 10 GLY HA3 H 1 3.949 0.01 . . . . . B 430 GLY HA3 . 18650 2
1195 . 2 2 10 10 GLY CA C 13 44.900 0.25 . . . . . B 430 GLY CA . 18650 1
1196 . 2 2 10 10 GLY N N 15 108.355 0.25 . . . . . B 430 GLY N . 18650 1
1197 . 2 2 11 11 GLU H H 1 8.411 0.01 . . . . . B 431 GLU H . 18650 1
1198 . 2 2 11 11 GLU HA H 1 4.298 0.01 . . . . . B 431 GLU HA . 18650 1
1199 . 2 2 11 11 GLU HB2 H 1 2.070 0.01 . . . . . B 431 GLU HB2 . 18650 2
1200 . 2 2 11 11 GLU HB3 H 1 1.959 0.01 . . . . . B 431 GLU HB3 . 18650 2
1201 . 2 2 11 11 GLU HG2 H 1 2.255 0.01 . . . . . B 431 GLU HG2 . 18650 2
1202 . 2 2 11 11 GLU HG3 H 1 2.279 0.01 . . . . . B 431 GLU HG3 . 18650 2
1203 . 2 2 11 11 GLU CA C 13 56.397 0.25 . . . . . B 431 GLU CA . 18650 1
1204 . 2 2 11 11 GLU CB C 13 30.105 0.25 . . . . . B 431 GLU CB . 18650 1
1205 . 2 2 11 11 GLU CG C 13 36.098 0.25 . . . . . B 431 GLU CG . 18650 1
1206 . 2 2 11 11 GLU N N 15 120.858 0.25 . . . . . B 431 GLU N . 18650 1
1207 . 2 2 12 12 GLY H H 1 8.624 0.01 . . . . . B 432 GLY H . 18650 1
1208 . 2 2 12 12 GLY HA2 H 1 4.002 0.01 . . . . . B 432 GLY HA2 . 18650 2
1209 . 2 2 12 12 GLY HA3 H 1 3.953 0.01 . . . . . B 432 GLY HA3 . 18650 2
1210 . 2 2 12 12 GLY CA C 13 45.039 0.25 . . . . . B 432 GLY CA . 18650 1
1211 . 2 2 12 12 GLY N N 15 109.908 0.25 . . . . . B 432 GLY N . 18650 1
1212 . 2 2 13 13 THR H H 1 8.043 0.01 . . . . . B 433 THR H . 18650 1
1213 . 2 2 13 13 THR HA H 1 4.380 0.01 . . . . . B 433 THR HA . 18650 1
1214 . 2 2 13 13 THR HB H 1 4.295 0.01 . . . . . B 433 THR HB . 18650 1
1215 . 2 2 13 13 THR HG21 H 1 1.190 0.01 . . . . . B 433 THR HG21 . 18650 1
1216 . 2 2 13 13 THR HG22 H 1 1.190 0.01 . . . . . B 433 THR HG22 . 18650 1
1217 . 2 2 13 13 THR HG23 H 1 1.190 0.01 . . . . . B 433 THR HG23 . 18650 1
1218 . 2 2 13 13 THR CA C 13 61.463 0.25 . . . . . B 433 THR CA . 18650 1
1219 . 2 2 13 13 THR CB C 13 69.949 0.25 . . . . . B 433 THR CB . 18650 1
1220 . 2 2 13 13 THR CG2 C 13 21.271 0.25 . . . . . B 433 THR CG2 . 18650 1
1221 . 2 2 13 13 THR N N 15 112.786 0.25 . . . . . B 433 THR N . 18650 1
1222 . 2 2 14 14 LEU H H 1 8.562 0.01 . . . . . B 434 LEU H . 18650 1
1223 . 2 2 14 14 LEU HA H 1 4.259 0.01 . . . . . B 434 LEU HA . 18650 1
1224 . 2 2 14 14 LEU HB2 H 1 1.622 0.01 . . . . . B 434 LEU HB2 . 18650 2
1225 . 2 2 14 14 LEU HB3 H 1 1.622 0.01 . . . . . B 434 LEU HB3 . 18650 2
1226 . 2 2 14 14 LEU HG H 1 1.595 0.01 . . . . . B 434 LEU HG . 18650 1
1227 . 2 2 14 14 LEU HD11 H 1 0.810 0.01 . . . . . B 434 LEU HD11 . 18650 1
1228 . 2 2 14 14 LEU HD12 H 1 0.810 0.01 . . . . . B 434 LEU HD12 . 18650 1
1229 . 2 2 14 14 LEU HD13 H 1 0.810 0.01 . . . . . B 434 LEU HD13 . 18650 1
1230 . 2 2 14 14 LEU HD21 H 1 0.800 0.01 . . . . . B 434 LEU HD21 . 18650 1
1231 . 2 2 14 14 LEU HD22 H 1 0.800 0.01 . . . . . B 434 LEU HD22 . 18650 1
1232 . 2 2 14 14 LEU HD23 H 1 0.800 0.01 . . . . . B 434 LEU HD23 . 18650 1
1233 . 2 2 14 14 LEU CA C 13 55.895 0.25 . . . . . B 434 LEU CA . 18650 1
1234 . 2 2 14 14 LEU CB C 13 41.598 0.25 . . . . . B 434 LEU CB . 18650 1
1235 . 2 2 14 14 LEU CG C 13 26.867 0.25 . . . . . B 434 LEU CG . 18650 1
1236 . 2 2 14 14 LEU CD1 C 13 24.050 0.25 . . . . . B 434 LEU CD1 . 18650 2
1237 . 2 2 14 14 LEU CD2 C 13 23.261 0.25 . . . . . B 434 LEU CD2 . 18650 2
1238 . 2 2 14 14 LEU N N 15 124.221 0.25 . . . . . B 434 LEU N . 18650 1
1239 . 2 2 15 15 SER H H 1 8.288 0.01 . . . . . B 435 SER H . 18650 1
1240 . 2 2 15 15 SER HA H 1 4.193 0.01 . . . . . B 435 SER HA . 18650 1
1241 . 2 2 15 15 SER HB2 H 1 3.834 0.01 . . . . . B 435 SER HB2 . 18650 2
1242 . 2 2 15 15 SER HB3 H 1 3.907 0.01 . . . . . B 435 SER HB3 . 18650 2
1243 . 2 2 15 15 SER CA C 13 59.526 0.25 . . . . . B 435 SER CA . 18650 1
1244 . 2 2 15 15 SER CB C 13 63.040 0.25 . . . . . B 435 SER CB . 18650 1
1245 . 2 2 15 15 SER N N 15 114.838 0.25 . . . . . B 435 SER N . 18650 1
1246 . 2 2 16 16 GLU H H 1 8.198 0.01 . . . . . B 436 GLU H . 18650 1
1247 . 2 2 16 16 GLU HA H 1 4.092 0.01 . . . . . B 436 GLU HA . 18650 1
1248 . 2 2 16 16 GLU HB2 H 1 2.070 0.01 . . . . . B 436 GLU HB2 . 18650 2
1249 . 2 2 16 16 GLU HB3 H 1 2.015 0.01 . . . . . B 436 GLU HB3 . 18650 2
1250 . 2 2 16 16 GLU HG2 H 1 2.284 0.01 . . . . . B 436 GLU HG2 . 18650 2
1251 . 2 2 16 16 GLU HG3 H 1 2.252 0.01 . . . . . B 436 GLU HG3 . 18650 2
1252 . 2 2 16 16 GLU CA C 13 57.792 0.25 . . . . . B 436 GLU CA . 18650 1
1253 . 2 2 16 16 GLU CB C 13 29.324 0.25 . . . . . B 436 GLU CB . 18650 1
1254 . 2 2 16 16 GLU CG C 13 36.300 0.25 . . . . . B 436 GLU CG . 18650 1
1255 . 2 2 16 16 GLU N N 15 122.039 0.25 . . . . . B 436 GLU N . 18650 1
1256 . 2 2 17 17 ALA H H 1 8.078 0.01 . . . . . B 437 ALA H . 18650 1
1257 . 2 2 17 17 ALA HA H 1 4.169 0.01 . . . . . B 437 ALA HA . 18650 1
1258 . 2 2 17 17 ALA HB1 H 1 1.403 0.01 . . . . . B 437 ALA HB1 . 18650 1
1259 . 2 2 17 17 ALA HB2 H 1 1.403 0.01 . . . . . B 437 ALA HB2 . 18650 1
1260 . 2 2 17 17 ALA HB3 H 1 1.403 0.01 . . . . . B 437 ALA HB3 . 18650 1
1261 . 2 2 17 17 ALA CA C 13 53.585 0.25 . . . . . B 437 ALA CA . 18650 1
1262 . 2 2 17 17 ALA CB C 13 18.310 0.25 . . . . . B 437 ALA CB . 18650 1
1263 . 2 2 17 17 ALA N N 15 122.212 0.25 . . . . . B 437 ALA N . 18650 1
1264 . 2 2 18 18 LEU H H 1 8.019 0.01 . . . . . B 438 LEU H . 18650 1
1265 . 2 2 18 18 LEU HA H 1 4.158 0.01 . . . . . B 438 LEU HA . 18650 1
1266 . 2 2 18 18 LEU HB2 H 1 1.732 0.01 . . . . . B 438 LEU HB2 . 18650 2
1267 . 2 2 18 18 LEU HB3 H 1 1.732 0.01 . . . . . B 438 LEU HB3 . 18650 2
1268 . 2 2 18 18 LEU HG H 1 1.567 0.01 . . . . . B 438 LEU HG . 18650 1
1269 . 2 2 18 18 LEU HD11 H 1 0.796 0.01 . . . . . B 438 LEU HD11 . 18650 1
1270 . 2 2 18 18 LEU HD12 H 1 0.796 0.01 . . . . . B 438 LEU HD12 . 18650 1
1271 . 2 2 18 18 LEU HD13 H 1 0.796 0.01 . . . . . B 438 LEU HD13 . 18650 1
1272 . 2 2 18 18 LEU HD21 H 1 0.863 0.01 . . . . . B 438 LEU HD21 . 18650 1
1273 . 2 2 18 18 LEU HD22 H 1 0.863 0.01 . . . . . B 438 LEU HD22 . 18650 1
1274 . 2 2 18 18 LEU HD23 H 1 0.863 0.01 . . . . . B 438 LEU HD23 . 18650 1
1275 . 2 2 18 18 LEU CA C 13 55.799 0.25 . . . . . B 438 LEU CA . 18650 1
1276 . 2 2 18 18 LEU CB C 13 41.598 0.25 . . . . . B 438 LEU CB . 18650 1
1277 . 2 2 18 18 LEU CG C 13 26.536 0.25 . . . . . B 438 LEU CG . 18650 1
1278 . 2 2 18 18 LEU CD1 C 13 23.423 0.25 . . . . . B 438 LEU CD1 . 18650 2
1279 . 2 2 18 18 LEU CD2 C 13 24.661 0.25 . . . . . B 438 LEU CD2 . 18650 2
1280 . 2 2 18 18 LEU N N 15 117.404 0.25 . . . . . B 438 LEU N . 18650 1
1281 . 2 2 19 19 LEU H H 1 7.715 0.01 . . . . . B 439 LEU H . 18650 1
1282 . 2 2 19 19 LEU HA H 1 4.116 0.01 . . . . . B 439 LEU HA . 18650 1
1283 . 2 2 19 19 LEU HB2 H 1 1.595 0.01 . . . . . B 439 LEU HB2 . 18650 2
1284 . 2 2 19 19 LEU HB3 H 1 1.595 0.01 . . . . . B 439 LEU HB3 . 18650 2
1285 . 2 2 19 19 LEU HG H 1 1.389 0.01 . . . . . B 439 LEU HG . 18650 1
1286 . 2 2 19 19 LEU HD11 H 1 0.867 0.01 . . . . . B 439 LEU HD11 . 18650 1
1287 . 2 2 19 19 LEU HD12 H 1 0.867 0.01 . . . . . B 439 LEU HD12 . 18650 1
1288 . 2 2 19 19 LEU HD13 H 1 0.867 0.01 . . . . . B 439 LEU HD13 . 18650 1
1289 . 2 2 19 19 LEU HD21 H 1 0.815 0.01 . . . . . B 439 LEU HD21 . 18650 1
1290 . 2 2 19 19 LEU HD22 H 1 0.815 0.01 . . . . . B 439 LEU HD22 . 18650 1
1291 . 2 2 19 19 LEU HD23 H 1 0.815 0.01 . . . . . B 439 LEU HD23 . 18650 1
1292 . 2 2 19 19 LEU CA C 13 55.899 0.25 . . . . . B 439 LEU CA . 18650 1
1293 . 2 2 19 19 LEU CB C 13 41.808 0.25 . . . . . B 439 LEU CB . 18650 1
1294 . 2 2 19 19 LEU CG C 13 26.489 0.25 . . . . . B 439 LEU CG . 18650 1
1295 . 2 2 19 19 LEU CD1 C 13 24.731 0.25 . . . . . B 439 LEU CD1 . 18650 2
1296 . 2 2 19 19 LEU CD2 C 13 23.890 0.25 . . . . . B 439 LEU CD2 . 18650 2
1297 . 2 2 19 19 LEU N N 15 118.826 0.25 . . . . . B 439 LEU N . 18650 1
1298 . 2 2 20 20 HIS H H 1 7.925 0.01 . . . . . B 440 HIS H . 18650 1
1299 . 2 2 20 20 HIS HA H 1 4.667 0.01 . . . . . B 440 HIS HA . 18650 1
1300 . 2 2 20 20 HIS HB2 H 1 3.304 0.01 . . . . . B 440 HIS HB2 . 18650 1
1301 . 2 2 20 20 HIS HB3 H 1 3.058 0.01 . . . . . B 440 HIS HB3 . 18650 1
1302 . 2 2 20 20 HIS HD2 H 1 7.031 0.01 . . . . . B 440 HIS HD2 . 18650 1
1303 . 2 2 20 20 HIS CA C 13 55.843 0.25 . . . . . B 440 HIS CA . 18650 1
1304 . 2 2 20 20 HIS CB C 13 30.443 0.25 . . . . . B 440 HIS CB . 18650 1
1305 . 2 2 20 20 HIS CD2 C 13 119.486 0.25 . . . . . B 440 HIS CD2 . 18650 1
1306 . 2 2 20 20 HIS N N 15 115.932 0.25 . . . . . B 440 HIS N . 18650 1
1307 . 2 2 21 21 LEU H H 1 7.670 0.01 . . . . . B 441 LEU H . 18650 1
1308 . 2 2 21 21 LEU HA H 1 4.238 0.01 . . . . . B 441 LEU HA . 18650 1
1309 . 2 2 21 21 LEU HB2 H 1 1.452 0.01 . . . . . B 441 LEU HB2 . 18650 2
1310 . 2 2 21 21 LEU HB3 H 1 1.608 0.01 . . . . . B 441 LEU HB3 . 18650 2
1311 . 2 2 21 21 LEU HG H 1 1.626 0.01 . . . . . B 441 LEU HG . 18650 1
1312 . 2 2 21 21 LEU HD11 H 1 0.786 0.01 . . . . . B 441 LEU HD11 . 18650 1
1313 . 2 2 21 21 LEU HD12 H 1 0.786 0.01 . . . . . B 441 LEU HD12 . 18650 1
1314 . 2 2 21 21 LEU HD13 H 1 0.786 0.01 . . . . . B 441 LEU HD13 . 18650 1
1315 . 2 2 21 21 LEU HD21 H 1 0.795 0.01 . . . . . B 441 LEU HD21 . 18650 1
1316 . 2 2 21 21 LEU HD22 H 1 0.795 0.01 . . . . . B 441 LEU HD22 . 18650 1
1317 . 2 2 21 21 LEU HD23 H 1 0.795 0.01 . . . . . B 441 LEU HD23 . 18650 1
1318 . 2 2 21 21 LEU CA C 13 54.686 0.25 . . . . . B 441 LEU CA . 18650 1
1319 . 2 2 21 21 LEU CB C 13 42.330 0.25 . . . . . B 441 LEU CB . 18650 1
1320 . 2 2 21 21 LEU CG C 13 26.728 0.25 . . . . . B 441 LEU CG . 18650 1
1321 . 2 2 21 21 LEU CD1 C 13 25.069 0.25 . . . . . B 441 LEU CD1 . 18650 2
1322 . 2 2 21 21 LEU CD2 C 13 23.869 0.25 . . . . . B 441 LEU CD2 . 18650 2
1323 . 2 2 21 21 LEU N N 15 121.842 0.25 . . . . . B 441 LEU N . 18650 1
1324 . 2 2 22 22 GLN H H 1 8.346 0.01 . . . . . B 442 GLN H . 18650 1
1325 . 2 2 22 22 GLN HA H 1 4.367 0.01 . . . . . B 442 GLN HA . 18650 1
1326 . 2 2 22 22 GLN HB2 H 1 1.972 0.01 . . . . . B 442 GLN HB2 . 18650 2
1327 . 2 2 22 22 GLN HB3 H 1 1.972 0.01 . . . . . B 442 GLN HB3 . 18650 2
1328 . 2 2 22 22 GLN HG2 H 1 2.299 0.01 . . . . . B 442 GLN HG2 . 18650 2
1329 . 2 2 22 22 GLN HG3 H 1 2.299 0.01 . . . . . B 442 GLN HG3 . 18650 2
1330 . 2 2 22 22 GLN CA C 13 55.409 0.25 . . . . . B 442 GLN CA . 18650 1
1331 . 2 2 22 22 GLN CB C 13 29.090 0.25 . . . . . B 442 GLN CB . 18650 1
1332 . 2 2 22 22 GLN CG C 13 33.525 0.25 . . . . . B 442 GLN CG . 18650 1
1333 . 2 2 22 22 GLN N N 15 121.022 0.25 . . . . . B 442 GLN N . 18650 1
1334 . 2 2 23 23 PHE H H 1 8.248 0.01 . . . . . B 443 PHE H . 18650 1
1335 . 2 2 23 23 PHE HA H 1 4.692 0.01 . . . . . B 443 PHE HA . 18650 1
1336 . 2 2 23 23 PHE HB2 H 1 3.100 0.01 . . . . . B 443 PHE HB2 . 18650 2
1337 . 2 2 23 23 PHE HB3 H 1 2.906 0.01 . . . . . B 443 PHE HB3 . 18650 2
1338 . 2 2 23 23 PHE HD1 H 1 7.136 0.01 . . . . . B 443 PHE HD1 . 18650 1
1339 . 2 2 23 23 PHE HD2 H 1 7.231 0.01 . . . . . B 443 PHE HD2 . 18650 1
1340 . 2 2 23 23 PHE HZ H 1 7.206 0.01 . . . . . B 443 PHE HZ . 18650 1
1341 . 2 2 23 23 PHE CA C 13 56.909 0.25 . . . . . B 443 PHE CA . 18650 1
1342 . 2 2 23 23 PHE CB C 13 40.154 0.25 . . . . . B 443 PHE CB . 18650 1
1343 . 2 2 23 23 PHE CD1 C 13 132.018 0.25 . . . . . B 443 PHE CD1 . 18650 1
1344 . 2 2 23 23 PHE CD2 C 13 131.035 0.25 . . . . . B 443 PHE CD2 . 18650 1
1345 . 2 2 23 23 PHE CZ C 13 129.460 0.25 . . . . . B 443 PHE CZ . 18650 1
1346 . 2 2 23 23 PHE N N 15 120.656 0.25 . . . . . B 443 PHE N . 18650 1
1347 . 2 2 24 24 ASP H H 1 8.681 0.01 . . . . . B 444 ASP H . 18650 1
1348 . 2 2 24 24 ASP HA H 1 4.209 0.01 . . . . . B 444 ASP HA . 18650 1
1349 . 2 2 24 24 ASP HB2 H 1 2.688 0.01 . . . . . B 444 ASP HB2 . 18650 2
1350 . 2 2 24 24 ASP HB3 H 1 2.858 0.01 . . . . . B 444 ASP HB3 . 18650 2
1351 . 2 2 24 24 ASP CA C 13 56.786 0.25 . . . . . B 444 ASP CA . 18650 1
1352 . 2 2 24 24 ASP CB C 13 41.699 0.25 . . . . . B 444 ASP CB . 18650 1
1353 . 2 2 24 24 ASP N N 15 124.426 0.25 . . . . . B 444 ASP N . 18650 1
1354 . 2 2 25 25 ALA H H 1 8.643 0.01 . . . . . B 445 ALA H . 18650 1
1355 . 2 2 25 25 ALA HA H 1 4.331 0.01 . . . . . B 445 ALA HA . 18650 1
1356 . 2 2 25 25 ALA HB1 H 1 1.532 0.01 . . . . . B 445 ALA HB1 . 18650 1
1357 . 2 2 25 25 ALA HB2 H 1 1.532 0.01 . . . . . B 445 ALA HB2 . 18650 1
1358 . 2 2 25 25 ALA HB3 H 1 1.532 0.01 . . . . . B 445 ALA HB3 . 18650 1
1359 . 2 2 25 25 ALA CA C 13 53.217 0.25 . . . . . B 445 ALA CA . 18650 1
1360 . 2 2 25 25 ALA CB C 13 18.776 0.25 . . . . . B 445 ALA CB . 18650 1
1361 . 2 2 25 25 ALA N N 15 125.132 0.25 . . . . . B 445 ALA N . 18650 1
1362 . 2 2 26 26 ASP H H 1 8.502 0.01 . . . . . B 446 ASP H . 18650 1
1363 . 2 2 26 26 ASP HA H 1 4.681 0.01 . . . . . B 446 ASP HA . 18650 1
1364 . 2 2 26 26 ASP HB2 H 1 2.717 0.01 . . . . . B 446 ASP HB2 . 18650 2
1365 . 2 2 26 26 ASP HB3 H 1 2.819 0.01 . . . . . B 446 ASP HB3 . 18650 2
1366 . 2 2 26 26 ASP CA C 13 53.860 0.25 . . . . . B 446 ASP CA . 18650 1
1367 . 2 2 26 26 ASP CB C 13 40.840 0.25 . . . . . B 446 ASP CB . 18650 1
1368 . 2 2 26 26 ASP N N 15 117.395 0.25 . . . . . B 446 ASP N . 18650 1
1369 . 2 2 27 27 GLU H H 1 7.840 0.01 . . . . . B 447 GLU H . 18650 1
1370 . 2 2 27 27 GLU HA H 1 4.211 0.01 . . . . . B 447 GLU HA . 18650 1
1371 . 2 2 27 27 GLU HB2 H 1 2.154 0.01 . . . . . B 447 GLU HB2 . 18650 2
1372 . 2 2 27 27 GLU HB3 H 1 2.071 0.01 . . . . . B 447 GLU HB3 . 18650 2
1373 . 2 2 27 27 GLU HG2 H 1 2.253 0.01 . . . . . B 447 GLU HG2 . 18650 2
1374 . 2 2 27 27 GLU HG3 H 1 2.380 0.01 . . . . . B 447 GLU HG3 . 18650 2
1375 . 2 2 27 27 GLU CA C 13 56.475 0.25 . . . . . B 447 GLU CA . 18650 1
1376 . 2 2 27 27 GLU CB C 13 30.056 0.25 . . . . . B 447 GLU CB . 18650 1
1377 . 2 2 27 27 GLU CG C 13 35.596 0.25 . . . . . B 447 GLU CG . 18650 1
1378 . 2 2 27 27 GLU N N 15 121.142 0.25 . . . . . B 447 GLU N . 18650 1
1379 . 2 2 28 28 ASP H H 1 8.695 0.01 . . . . . B 448 ASP H . 18650 1
1380 . 2 2 28 28 ASP HA H 1 4.711 0.01 . . . . . B 448 ASP HA . 18650 1
1381 . 2 2 28 28 ASP HB2 H 1 2.817 0.01 . . . . . B 448 ASP HB2 . 18650 2
1382 . 2 2 28 28 ASP HB3 H 1 2.585 0.01 . . . . . B 448 ASP HB3 . 18650 2
1383 . 2 2 28 28 ASP CA C 13 53.260 0.25 . . . . . B 448 ASP CA . 18650 1
1384 . 2 2 28 28 ASP CB C 13 41.680 0.25 . . . . . B 448 ASP CB . 18650 1
1385 . 2 2 28 28 ASP N N 15 122.330 0.25 . . . . . B 448 ASP N . 18650 1
1386 . 2 2 29 29 LEU H H 1 8.625 0.01 . . . . . B 449 LEU H . 18650 1
1387 . 2 2 29 29 LEU HA H 1 3.841 0.01 . . . . . B 449 LEU HA . 18650 1
1388 . 2 2 29 29 LEU HB2 H 1 1.553 0.01 . . . . . B 449 LEU HB2 . 18650 2
1389 . 2 2 29 29 LEU HB3 H 1 1.519 0.01 . . . . . B 449 LEU HB3 . 18650 2
1390 . 2 2 29 29 LEU HG H 1 1.503 0.01 . . . . . B 449 LEU HG . 18650 1
1391 . 2 2 29 29 LEU HD11 H 1 0.442 0.01 . . . . . B 449 LEU HD11 . 18650 1
1392 . 2 2 29 29 LEU HD12 H 1 0.442 0.01 . . . . . B 449 LEU HD12 . 18650 1
1393 . 2 2 29 29 LEU HD13 H 1 0.442 0.01 . . . . . B 449 LEU HD13 . 18650 1
1394 . 2 2 29 29 LEU HD21 H 1 0.682 0.01 . . . . . B 449 LEU HD21 . 18650 1
1395 . 2 2 29 29 LEU HD22 H 1 0.682 0.01 . . . . . B 449 LEU HD22 . 18650 1
1396 . 2 2 29 29 LEU HD23 H 1 0.682 0.01 . . . . . B 449 LEU HD23 . 18650 1
1397 . 2 2 29 29 LEU CA C 13 55.547 0.25 . . . . . B 449 LEU CA . 18650 1
1398 . 2 2 29 29 LEU CB C 13 41.723 0.25 . . . . . B 449 LEU CB . 18650 1
1399 . 2 2 29 29 LEU CG C 13 26.670 0.25 . . . . . B 449 LEU CG . 18650 1
1400 . 2 2 29 29 LEU CD1 C 13 23.211 0.25 . . . . . B 449 LEU CD1 . 18650 2
1401 . 2 2 29 29 LEU CD2 C 13 25.269 0.25 . . . . . B 449 LEU CD2 . 18650 2
1402 . 2 2 29 29 LEU N N 15 125.187 0.25 . . . . . B 449 LEU N . 18650 1
1403 . 2 2 30 30 GLY H H 1 8.737 0.01 . . . . . B 450 GLY H . 18650 1
1404 . 2 2 30 30 GLY HA2 H 1 3.920 0.01 . . . . . B 450 GLY HA2 . 18650 2
1405 . 2 2 30 30 GLY HA3 H 1 3.589 0.01 . . . . . B 450 GLY HA3 . 18650 2
1406 . 2 2 30 30 GLY CA C 13 46.658 0.25 . . . . . B 450 GLY CA . 18650 1
1407 . 2 2 30 30 GLY N N 15 105.712 0.25 . . . . . B 450 GLY N . 18650 1
1408 . 2 2 31 31 ALA H H 1 8.207 0.01 . . . . . B 451 ALA H . 18650 1
1409 . 2 2 31 31 ALA HA H 1 4.209 0.01 . . . . . B 451 ALA HA . 18650 1
1410 . 2 2 31 31 ALA HB1 H 1 1.449 0.01 . . . . . B 451 ALA HB1 . 18650 1
1411 . 2 2 31 31 ALA HB2 H 1 1.449 0.01 . . . . . B 451 ALA HB2 . 18650 1
1412 . 2 2 31 31 ALA HB3 H 1 1.449 0.01 . . . . . B 451 ALA HB3 . 18650 1
1413 . 2 2 31 31 ALA CA C 13 53.479 0.25 . . . . . B 451 ALA CA . 18650 1
1414 . 2 2 31 31 ALA CB C 13 18.030 0.25 . . . . . B 451 ALA CB . 18650 1
1415 . 2 2 31 31 ALA N N 15 123.147 0.25 . . . . . B 451 ALA N . 18650 1
1416 . 2 2 32 32 LEU H H 1 7.732 0.01 . . . . . B 452 LEU H . 18650 1
1417 . 2 2 32 32 LEU HA H 1 4.115 0.01 . . . . . B 452 LEU HA . 18650 1
1418 . 2 2 32 32 LEU HB2 H 1 1.411 0.01 . . . . . B 452 LEU HB2 . 18650 2
1419 . 2 2 32 32 LEU HB3 H 1 1.615 0.01 . . . . . B 452 LEU HB3 . 18650 2
1420 . 2 2 32 32 LEU HG H 1 1.615 0.01 . . . . . B 452 LEU HG . 18650 1
1421 . 2 2 32 32 LEU HD11 H 1 0.861 0.01 . . . . . B 452 LEU HD11 . 18650 1
1422 . 2 2 32 32 LEU HD12 H 1 0.861 0.01 . . . . . B 452 LEU HD12 . 18650 1
1423 . 2 2 32 32 LEU HD13 H 1 0.861 0.01 . . . . . B 452 LEU HD13 . 18650 1
1424 . 2 2 32 32 LEU HD21 H 1 0.847 0.01 . . . . . B 452 LEU HD21 . 18650 1
1425 . 2 2 32 32 LEU HD22 H 1 0.847 0.01 . . . . . B 452 LEU HD22 . 18650 1
1426 . 2 2 32 32 LEU HD23 H 1 0.847 0.01 . . . . . B 452 LEU HD23 . 18650 1
1427 . 2 2 32 32 LEU CA C 13 55.696 0.25 . . . . . B 452 LEU CA . 18650 1
1428 . 2 2 32 32 LEU CB C 13 41.677 0.25 . . . . . B 452 LEU CB . 18650 1
1429 . 2 2 32 32 LEU CG C 13 26.828 0.25 . . . . . B 452 LEU CG . 18650 1
1430 . 2 2 32 32 LEU CD1 C 13 25.522 0.25 . . . . . B 452 LEU CD1 . 18650 2
1431 . 2 2 32 32 LEU CD2 C 13 23.457 0.25 . . . . . B 452 LEU CD2 . 18650 2
1432 . 2 2 32 32 LEU N N 15 117.046 0.25 . . . . . B 452 LEU N . 18650 1
1433 . 2 2 33 33 LEU H H 1 7.543 0.01 . . . . . B 453 LEU H . 18650 1
1434 . 2 2 33 33 LEU HA H 1 4.166 0.01 . . . . . B 453 LEU HA . 18650 1
1435 . 2 2 33 33 LEU HB2 H 1 1.746 0.01 . . . . . B 453 LEU HB2 . 18650 2
1436 . 2 2 33 33 LEU HB3 H 1 1.600 0.01 . . . . . B 453 LEU HB3 . 18650 2
1437 . 2 2 33 33 LEU HG H 1 1.690 0.01 . . . . . B 453 LEU HG . 18650 1
1438 . 2 2 33 33 LEU HD11 H 1 0.874 0.01 . . . . . B 453 LEU HD11 . 18650 1
1439 . 2 2 33 33 LEU HD12 H 1 0.874 0.01 . . . . . B 453 LEU HD12 . 18650 1
1440 . 2 2 33 33 LEU HD13 H 1 0.874 0.01 . . . . . B 453 LEU HD13 . 18650 1
1441 . 2 2 33 33 LEU HD21 H 1 0.816 0.01 . . . . . B 453 LEU HD21 . 18650 1
1442 . 2 2 33 33 LEU HD22 H 1 0.816 0.01 . . . . . B 453 LEU HD22 . 18650 1
1443 . 2 2 33 33 LEU HD23 H 1 0.816 0.01 . . . . . B 453 LEU HD23 . 18650 1
1444 . 2 2 33 33 LEU CA C 13 54.972 0.25 . . . . . B 453 LEU CA . 18650 1
1445 . 2 2 33 33 LEU CB C 13 41.748 0.25 . . . . . B 453 LEU CB . 18650 1
1446 . 2 2 33 33 LEU CG C 13 26.730 0.25 . . . . . B 453 LEU CG . 18650 1
1447 . 2 2 33 33 LEU CD1 C 13 25.471 0.25 . . . . . B 453 LEU CD1 . 18650 2
1448 . 2 2 33 33 LEU CD2 C 13 22.892 0.25 . . . . . B 453 LEU CD2 . 18650 2
1449 . 2 2 33 33 LEU N N 15 116.188 0.25 . . . . . B 453 LEU N . 18650 1
1450 . 2 2 34 34 GLY H H 1 7.894 0.01 . . . . . B 454 GLY H . 18650 1
1451 . 2 2 34 34 GLY HA2 H 1 4.003 0.01 . . . . . B 454 GLY HA2 . 18650 2
1452 . 2 2 34 34 GLY HA3 H 1 3.837 0.01 . . . . . B 454 GLY HA3 . 18650 2
1453 . 2 2 34 34 GLY CA C 13 45.167 0.25 . . . . . B 454 GLY CA . 18650 1
1454 . 2 2 34 34 GLY N N 15 107.290 0.25 . . . . . B 454 GLY N . 18650 1
1455 . 2 2 35 35 ASN H H 1 8.508 0.01 . . . . . B 455 ASN H . 18650 1
1456 . 2 2 35 35 ASN HA H 1 4.753 0.01 . . . . . B 455 ASN HA . 18650 1
1457 . 2 2 35 35 ASN HB2 H 1 2.781 0.01 . . . . . B 455 ASN HB2 . 18650 2
1458 . 2 2 35 35 ASN HB3 H 1 2.834 0.01 . . . . . B 455 ASN HB3 . 18650 2
1459 . 2 2 35 35 ASN HD21 H 1 6.967 0.01 . . . . . B 455 ASN HD21 . 18650 2
1460 . 2 2 35 35 ASN HD22 H 1 7.631 0.01 . . . . . B 455 ASN HD22 . 18650 2
1461 . 2 2 35 35 ASN CA C 13 52.917 0.25 . . . . . B 455 ASN CA . 18650 1
1462 . 2 2 35 35 ASN CB C 13 38.430 0.25 . . . . . B 455 ASN CB . 18650 1
1463 . 2 2 35 35 ASN N N 15 118.767 0.25 . . . . . B 455 ASN N . 18650 1
1464 . 2 2 35 35 ASN ND2 N 15 112.369 0.25 . . . . . B 455 ASN ND2 . 18650 1
1465 . 2 2 36 36 SER H H 1 8.263 0.01 . . . . . B 456 SER H . 18650 1
1466 . 2 2 36 36 SER HA H 1 4.517 0.01 . . . . . B 456 SER HA . 18650 1
1467 . 2 2 36 36 SER HB2 H 1 3.893 0.01 . . . . . B 456 SER HB2 . 18650 2
1468 . 2 2 36 36 SER HB3 H 1 3.893 0.01 . . . . . B 456 SER HB3 . 18650 2
1469 . 2 2 36 36 SER CA C 13 58.373 0.25 . . . . . B 456 SER CA . 18650 1
1470 . 2 2 36 36 SER N N 15 115.559 0.25 . . . . . B 456 SER N . 18650 1
1471 . 2 2 37 37 THR H H 1 8.158 0.01 . . . . . B 457 THR H . 18650 1
1472 . 2 2 37 37 THR HA H 1 4.308 0.01 . . . . . B 457 THR HA . 18650 1
1473 . 2 2 37 37 THR HB H 1 4.199 0.01 . . . . . B 457 THR HB . 18650 1
1474 . 2 2 37 37 THR HG21 H 1 1.153 0.01 . . . . . B 457 THR HG21 . 18650 1
1475 . 2 2 37 37 THR HG22 H 1 1.153 0.01 . . . . . B 457 THR HG22 . 18650 1
1476 . 2 2 37 37 THR HG23 H 1 1.153 0.01 . . . . . B 457 THR HG23 . 18650 1
1477 . 2 2 37 37 THR CA C 13 61.440 0.25 . . . . . B 457 THR CA . 18650 1
1478 . 2 2 37 37 THR CB C 13 69.293 0.25 . . . . . B 457 THR CB . 18650 1
1479 . 2 2 37 37 THR CG2 C 13 21.375 0.25 . . . . . B 457 THR CG2 . 18650 1
1480 . 2 2 37 37 THR N N 15 115.417 0.25 . . . . . B 457 THR N . 18650 1
1481 . 2 2 38 38 ASP H H 1 8.300 0.01 . . . . . B 458 ASP H . 18650 1
1482 . 2 2 38 38 ASP HA H 1 4.855 0.01 . . . . . B 458 ASP HA . 18650 1
1483 . 2 2 38 38 ASP HB2 H 1 2.735 0.01 . . . . . B 458 ASP HB2 . 18650 2
1484 . 2 2 38 38 ASP HB3 H 1 2.543 0.01 . . . . . B 458 ASP HB3 . 18650 2
1485 . 2 2 38 38 ASP CA C 13 51.925 0.25 . . . . . B 458 ASP CA . 18650 1
1486 . 2 2 38 38 ASP CB C 13 41.232 0.25 . . . . . B 458 ASP CB . 18650 1
1487 . 2 2 38 38 ASP N N 15 124.344 0.25 . . . . . B 458 ASP N . 18650 1
1488 . 2 2 39 39 PRO HA H 1 4.339 0.01 . . . . . B 459 PRO HA . 18650 1
1489 . 2 2 39 39 PRO HB2 H 1 2.239 0.01 . . . . . B 459 PRO HB2 . 18650 1
1490 . 2 2 39 39 PRO HB3 H 1 1.961 0.01 . . . . . B 459 PRO HB3 . 18650 1
1491 . 2 2 39 39 PRO HG2 H 1 1.958 0.01 . . . . . B 459 PRO HG2 . 18650 1
1492 . 2 2 39 39 PRO HG3 H 1 1.993 0.01 . . . . . B 459 PRO HG3 . 18650 1
1493 . 2 2 39 39 PRO HD2 H 1 3.854 0.01 . . . . . B 459 PRO HD2 . 18650 1
1494 . 2 2 39 39 PRO HD3 H 1 3.796 0.01 . . . . . B 459 PRO HD3 . 18650 1
1495 . 2 2 39 39 PRO CA C 13 63.523 0.25 . . . . . B 459 PRO CA . 18650 1
1496 . 2 2 39 39 PRO CB C 13 31.754 0.25 . . . . . B 459 PRO CB . 18650 1
1497 . 2 2 39 39 PRO CG C 13 32.060 0.25 . . . . . B 459 PRO CG . 18650 1
1498 . 2 2 39 39 PRO CD C 13 50.482 0.25 . . . . . B 459 PRO CD . 18650 1
1499 . 2 2 40 40 GLY H H 1 8.587 0.01 . . . . . B 460 GLY H . 18650 1
1500 . 2 2 40 40 GLY HA2 H 1 3.897 0.01 . . . . . B 460 GLY HA2 . 18650 2
1501 . 2 2 40 40 GLY HA3 H 1 3.789 0.01 . . . . . B 460 GLY HA3 . 18650 2
1502 . 2 2 40 40 GLY CA C 13 45.087 0.25 . . . . . B 460 GLY CA . 18650 1
1503 . 2 2 40 40 GLY N N 15 108.136 0.25 . . . . . B 460 GLY N . 18650 1
1504 . 2 2 41 41 VAL H H 1 7.604 0.01 . . . . . B 461 VAL H . 18650 1
1505 . 2 2 41 41 VAL HA H 1 4.062 0.01 . . . . . B 461 VAL HA . 18650 1
1506 . 2 2 41 41 VAL HB H 1 1.995 0.01 . . . . . B 461 VAL HB . 18650 1
1507 . 2 2 41 41 VAL HG11 H 1 0.832 0.01 . . . . . B 461 VAL HG11 . 18650 1
1508 . 2 2 41 41 VAL HG12 H 1 0.832 0.01 . . . . . B 461 VAL HG12 . 18650 1
1509 . 2 2 41 41 VAL HG13 H 1 0.832 0.01 . . . . . B 461 VAL HG13 . 18650 1
1510 . 2 2 41 41 VAL HG21 H 1 0.802 0.01 . . . . . B 461 VAL HG21 . 18650 1
1511 . 2 2 41 41 VAL HG22 H 1 0.802 0.01 . . . . . B 461 VAL HG22 . 18650 1
1512 . 2 2 41 41 VAL HG23 H 1 0.802 0.01 . . . . . B 461 VAL HG23 . 18650 1
1513 . 2 2 41 41 VAL CA C 13 61.906 0.25 . . . . . B 461 VAL CA . 18650 1
1514 . 2 2 41 41 VAL CB C 13 32.336 0.25 . . . . . B 461 VAL CB . 18650 1
1515 . 2 2 41 41 VAL CG1 C 13 20.302 0.25 . . . . . B 461 VAL CG1 . 18650 2
1516 . 2 2 41 41 VAL CG2 C 13 20.839 0.25 . . . . . B 461 VAL CG2 . 18650 2
1517 . 2 2 41 41 VAL N N 15 118.324 0.25 . . . . . B 461 VAL N . 18650 1
1518 . 2 2 42 42 PHE H H 1 8.414 0.01 . . . . . B 462 PHE H . 18650 1
1519 . 2 2 42 42 PHE HA H 1 4.576 0.01 . . . . . B 462 PHE HA . 18650 1
1520 . 2 2 42 42 PHE HB2 H 1 3.120 0.01 . . . . . B 462 PHE HB2 . 18650 2
1521 . 2 2 42 42 PHE HB3 H 1 3.036 0.01 . . . . . B 462 PHE HB3 . 18650 2
1522 . 2 2 42 42 PHE HD1 H 1 7.275 0.01 . . . . . B 462 PHE HD1 . 18650 1
1523 . 2 2 42 42 PHE HD2 H 1 7.183 0.01 . . . . . B 462 PHE HD2 . 18650 1
1524 . 2 2 42 42 PHE HZ H 1 7.307 0.01 . . . . . B 462 PHE HZ . 18650 1
1525 . 2 2 42 42 PHE CA C 13 57.559 0.25 . . . . . B 462 PHE CA . 18650 1
1526 . 2 2 42 42 PHE CB C 13 38.962 0.25 . . . . . B 462 PHE CB . 18650 1
1527 . 2 2 42 42 PHE CD1 C 13 131.285 0.25 . . . . . B 462 PHE CD1 . 18650 1
1528 . 2 2 42 42 PHE CD2 C 13 131.174 0.25 . . . . . B 462 PHE CD2 . 18650 1
1529 . 2 2 42 42 PHE CZ C 13 129.621 0.25 . . . . . B 462 PHE CZ . 18650 1
1530 . 2 2 42 42 PHE N N 15 123.349 0.25 . . . . . B 462 PHE N . 18650 1
1531 . 2 2 43 43 THR H H 1 7.707 0.01 . . . . . B 463 THR H . 18650 1
1532 . 2 2 43 43 THR HA H 1 4.192 0.01 . . . . . B 463 THR HA . 18650 1
1533 . 2 2 43 43 THR HB H 1 4.062 0.01 . . . . . B 463 THR HB . 18650 1
1534 . 2 2 43 43 THR HG21 H 1 1.112 0.01 . . . . . B 463 THR HG21 . 18650 1
1535 . 2 2 43 43 THR HG22 H 1 1.112 0.01 . . . . . B 463 THR HG22 . 18650 1
1536 . 2 2 43 43 THR HG23 H 1 1.112 0.01 . . . . . B 463 THR HG23 . 18650 1
1537 . 2 2 43 43 THR CA C 13 62.025 0.25 . . . . . B 463 THR CA . 18650 1
1538 . 2 2 43 43 THR CB C 13 69.407 0.25 . . . . . B 463 THR CB . 18650 1
1539 . 2 2 43 43 THR CG2 C 13 21.472 0.25 . . . . . B 463 THR CG2 . 18650 1
1540 . 2 2 43 43 THR N N 15 116.065 0.25 . . . . . B 463 THR N . 18650 1
1541 . 2 2 44 44 ASP H H 1 8.346 0.01 . . . . . B 464 ASP H . 18650 1
1542 . 2 2 44 44 ASP HA H 1 4.601 0.01 . . . . . B 464 ASP HA . 18650 1
1543 . 2 2 44 44 ASP HB2 H 1 2.547 0.01 . . . . . B 464 ASP HB2 . 18650 2
1544 . 2 2 44 44 ASP HB3 H 1 2.738 0.01 . . . . . B 464 ASP HB3 . 18650 2
1545 . 2 2 44 44 ASP CA C 13 53.651 0.25 . . . . . B 464 ASP CA . 18650 1
1546 . 2 2 44 44 ASP CB C 13 41.275 0.25 . . . . . B 464 ASP CB . 18650 1
1547 . 2 2 44 44 ASP N N 15 123.643 0.25 . . . . . B 464 ASP N . 18650 1
1548 . 2 2 45 45 LEU H H 1 8.677 0.01 . . . . . B 465 LEU H . 18650 1
1549 . 2 2 45 45 LEU HA H 1 3.932 0.01 . . . . . B 465 LEU HA . 18650 1
1550 . 2 2 45 45 LEU HB2 H 1 1.663 0.01 . . . . . B 465 LEU HB2 . 18650 2
1551 . 2 2 45 45 LEU HB3 H 1 1.300 0.01 . . . . . B 465 LEU HB3 . 18650 2
1552 . 2 2 45 45 LEU HG H 1 1.408 0.01 . . . . . B 465 LEU HG . 18650 1
1553 . 2 2 45 45 LEU HD11 H 1 0.614 0.01 . . . . . B 465 LEU HD11 . 18650 1
1554 . 2 2 45 45 LEU HD12 H 1 0.614 0.01 . . . . . B 465 LEU HD12 . 18650 1
1555 . 2 2 45 45 LEU HD13 H 1 0.614 0.01 . . . . . B 465 LEU HD13 . 18650 1
1556 . 2 2 45 45 LEU HD21 H 1 0.455 0.01 . . . . . B 465 LEU HD21 . 18650 1
1557 . 2 2 45 45 LEU HD22 H 1 0.455 0.01 . . . . . B 465 LEU HD22 . 18650 1
1558 . 2 2 45 45 LEU HD23 H 1 0.455 0.01 . . . . . B 465 LEU HD23 . 18650 1
1559 . 2 2 45 45 LEU CA C 13 56.185 0.25 . . . . . B 465 LEU CA . 18650 1
1560 . 2 2 45 45 LEU CB C 13 41.344 0.25 . . . . . B 465 LEU CB . 18650 1
1561 . 2 2 45 45 LEU CG C 13 26.470 0.25 . . . . . B 465 LEU CG . 18650 1
1562 . 2 2 45 45 LEU CD1 C 13 25.269 0.25 . . . . . B 465 LEU CD1 . 18650 2
1563 . 2 2 45 45 LEU CD2 C 13 22.400 0.25 . . . . . B 465 LEU CD2 . 18650 2
1564 . 2 2 45 45 LEU N N 15 123.077 0.25 . . . . . B 465 LEU N . 18650 1
1565 . 2 2 46 46 ALA H H 1 8.362 0.01 . . . . . B 466 ALA H . 18650 1
1566 . 2 2 46 46 ALA HA H 1 3.984 0.01 . . . . . B 466 ALA HA . 18650 1
1567 . 2 2 46 46 ALA HB1 H 1 1.398 0.01 . . . . . B 466 ALA HB1 . 18650 1
1568 . 2 2 46 46 ALA HB2 H 1 1.398 0.01 . . . . . B 466 ALA HB2 . 18650 1
1569 . 2 2 46 46 ALA HB3 H 1 1.398 0.01 . . . . . B 466 ALA HB3 . 18650 1
1570 . 2 2 46 46 ALA CA C 13 54.225 0.25 . . . . . B 466 ALA CA . 18650 1
1571 . 2 2 46 46 ALA CB C 13 18.097 0.25 . . . . . B 466 ALA CB . 18650 1
1572 . 2 2 46 46 ALA N N 15 120.062 0.25 . . . . . B 466 ALA N . 18650 1
1573 . 2 2 47 47 SER H H 1 7.835 0.01 . . . . . B 467 SER H . 18650 1
1574 . 2 2 47 47 SER HA H 1 4.385 0.01 . . . . . B 467 SER HA . 18650 1
1575 . 2 2 47 47 SER HB2 H 1 3.848 0.01 . . . . . B 467 SER HB2 . 18650 2
1576 . 2 2 47 47 SER HB3 H 1 3.898 0.01 . . . . . B 467 SER HB3 . 18650 2
1577 . 2 2 47 47 SER CA C 13 58.032 0.25 . . . . . B 467 SER CA . 18650 1
1578 . 2 2 47 47 SER CB C 13 63.361 0.25 . . . . . B 467 SER CB . 18650 1
1579 . 2 2 47 47 SER N N 15 110.565 0.25 . . . . . B 467 SER N . 18650 1
1580 . 2 2 48 48 VAL H H 1 7.341 0.01 . . . . . B 468 VAL H . 18650 1
1581 . 2 2 48 48 VAL HA H 1 3.762 0.01 . . . . . B 468 VAL HA . 18650 1
1582 . 2 2 48 48 VAL HB H 1 1.997 0.01 . . . . . B 468 VAL HB . 18650 1
1583 . 2 2 48 48 VAL HG11 H 1 0.821 0.01 . . . . . B 468 VAL HG11 . 18650 1
1584 . 2 2 48 48 VAL HG12 H 1 0.821 0.01 . . . . . B 468 VAL HG12 . 18650 1
1585 . 2 2 48 48 VAL HG13 H 1 0.821 0.01 . . . . . B 468 VAL HG13 . 18650 1
1586 . 2 2 48 48 VAL HG21 H 1 0.713 0.01 . . . . . B 468 VAL HG21 . 18650 1
1587 . 2 2 48 48 VAL HG22 H 1 0.713 0.01 . . . . . B 468 VAL HG22 . 18650 1
1588 . 2 2 48 48 VAL HG23 H 1 0.713 0.01 . . . . . B 468 VAL HG23 . 18650 1
1589 . 2 2 48 48 VAL CA C 13 62.264 0.25 . . . . . B 468 VAL CA . 18650 1
1590 . 2 2 48 48 VAL CB C 13 32.029 0.25 . . . . . B 468 VAL CB . 18650 1
1591 . 2 2 48 48 VAL CG1 C 13 22.194 0.25 . . . . . B 468 VAL CG1 . 18650 2
1592 . 2 2 48 48 VAL CG2 C 13 20.739 0.25 . . . . . B 468 VAL CG2 . 18650 2
1593 . 2 2 48 48 VAL N N 15 122.990 0.25 . . . . . B 468 VAL N . 18650 1
1594 . 2 2 49 49 ASP H H 1 9.020 0.01 . . . . . B 469 ASP H . 18650 1
1595 . 2 2 49 49 ASP HA H 1 4.948 0.01 . . . . . B 469 ASP HA . 18650 1
1596 . 2 2 49 49 ASP HB2 H 1 2.946 0.01 . . . . . B 469 ASP HB2 . 18650 2
1597 . 2 2 49 49 ASP HB3 H 1 2.588 0.01 . . . . . B 469 ASP HB3 . 18650 2
1598 . 2 2 49 49 ASP CA C 13 52.316 0.25 . . . . . B 469 ASP CA . 18650 1
1599 . 2 2 49 49 ASP CB C 13 40.499 0.25 . . . . . B 469 ASP CB . 18650 1
1600 . 2 2 49 49 ASP N N 15 127.463 0.25 . . . . . B 469 ASP N . 18650 1
1601 . 2 2 50 50 ASN H H 1 8.427 0.01 . . . . . B 470 ASN H . 18650 1
1602 . 2 2 50 50 ASN HA H 1 5.229 0.01 . . . . . B 470 ASN HA . 18650 1
1603 . 2 2 50 50 ASN HB2 H 1 3.585 0.01 . . . . . B 470 ASN HB2 . 18650 2
1604 . 2 2 50 50 ASN HB3 H 1 2.184 0.01 . . . . . B 470 ASN HB3 . 18650 2
1605 . 2 2 50 50 ASN CA C 13 50.821 0.25 . . . . . B 470 ASN CA . 18650 1
1606 . 2 2 50 50 ASN CB C 13 37.561 0.25 . . . . . B 470 ASN CB . 18650 1
1607 . 2 2 50 50 ASN N N 15 124.105 0.25 . . . . . B 470 ASN N . 18650 1
1608 . 2 2 51 51 SER H H 1 8.494 0.01 . . . . . B 471 SER H . 18650 1
1609 . 2 2 51 51 SER HA H 1 4.113 0.01 . . . . . B 471 SER HA . 18650 1
1610 . 2 2 51 51 SER HB2 H 1 3.926 0.01 . . . . . B 471 SER HB2 . 18650 2
1611 . 2 2 51 51 SER HB3 H 1 4.021 0.01 . . . . . B 471 SER HB3 . 18650 2
1612 . 2 2 51 51 SER CA C 13 62.146 0.25 . . . . . B 471 SER CA . 18650 1
1613 . 2 2 51 51 SER CB C 13 62.084 0.25 . . . . . B 471 SER CB . 18650 1
1614 . 2 2 51 51 SER N N 15 117.462 0.25 . . . . . B 471 SER N . 18650 1
1615 . 2 2 52 52 GLU H H 1 9.063 0.01 . . . . . B 472 GLU H . 18650 1
1616 . 2 2 52 52 GLU HA H 1 4.176 0.01 . . . . . B 472 GLU HA . 18650 1
1617 . 2 2 52 52 GLU HB2 H 1 1.980 0.01 . . . . . B 472 GLU HB2 . 18650 2
1618 . 2 2 52 52 GLU HB3 H 1 1.941 0.01 . . . . . B 472 GLU HB3 . 18650 2
1619 . 2 2 52 52 GLU HG2 H 1 2.175 0.01 . . . . . B 472 GLU HG2 . 18650 2
1620 . 2 2 52 52 GLU HG3 H 1 2.297 0.01 . . . . . B 472 GLU HG3 . 18650 2
1621 . 2 2 52 52 GLU CA C 13 58.743 0.25 . . . . . B 472 GLU CA . 18650 1
1622 . 2 2 52 52 GLU CB C 13 28.900 0.25 . . . . . B 472 GLU CB . 18650 1
1623 . 2 2 52 52 GLU CG C 13 36.472 0.25 . . . . . B 472 GLU CG . 18650 1
1624 . 2 2 52 52 GLU N N 15 121.408 0.25 . . . . . B 472 GLU N . 18650 1
1625 . 2 2 53 53 PHE H H 1 8.261 0.01 . . . . . B 473 PHE H . 18650 1
1626 . 2 2 53 53 PHE HA H 1 4.074 0.01 . . . . . B 473 PHE HA . 18650 1
1627 . 2 2 53 53 PHE HB2 H 1 3.050 0.01 . . . . . B 473 PHE HB2 . 18650 2
1628 . 2 2 53 53 PHE HB3 H 1 3.340 0.01 . . . . . B 473 PHE HB3 . 18650 2
1629 . 2 2 53 53 PHE HD1 H 1 6.729 0.01 . . . . . B 473 PHE HD1 . 18650 1
1630 . 2 2 53 53 PHE HD2 H 1 6.977 0.01 . . . . . B 473 PHE HD2 . 18650 1
1631 . 2 2 53 53 PHE HZ H 1 6.845 0.01 . . . . . B 473 PHE HZ . 18650 1
1632 . 2 2 53 53 PHE CA C 13 61.487 0.25 . . . . . B 473 PHE CA . 18650 1
1633 . 2 2 53 53 PHE CB C 13 39.172 0.25 . . . . . B 473 PHE CB . 18650 1
1634 . 2 2 53 53 PHE CD1 C 13 131.037 0.25 . . . . . B 473 PHE CD1 . 18650 1
1635 . 2 2 53 53 PHE CD2 C 13 130.379 0.25 . . . . . B 473 PHE CD2 . 18650 1
1636 . 2 2 53 53 PHE CZ C 13 127.829 0.25 . . . . . B 473 PHE CZ . 18650 1
1637 . 2 2 53 53 PHE N N 15 124.028 0.25 . . . . . B 473 PHE N . 18650 1
1638 . 2 2 54 54 GLN H H 1 7.876 0.01 . . . . . B 474 GLN H . 18650 1
1639 . 2 2 54 54 GLN HA H 1 3.704 0.01 . . . . . B 474 GLN HA . 18650 1
1640 . 2 2 54 54 GLN HB2 H 1 2.105 0.01 . . . . . B 474 GLN HB2 . 18650 2
1641 . 2 2 54 54 GLN HB3 H 1 2.272 0.01 . . . . . B 474 GLN HB3 . 18650 2
1642 . 2 2 54 54 GLN HG2 H 1 2.322 0.01 . . . . . B 474 GLN HG2 . 18650 2
1643 . 2 2 54 54 GLN HG3 H 1 2.322 0.01 . . . . . B 474 GLN HG3 . 18650 2
1644 . 2 2 54 54 GLN HE21 H 1 6.968 0.01 . . . . . B 474 GLN HE21 . 18650 2
1645 . 2 2 54 54 GLN HE22 H 1 7.448 0.01 . . . . . B 474 GLN HE22 . 18650 2
1646 . 2 2 54 54 GLN CA C 13 58.745 0.25 . . . . . B 474 GLN CA . 18650 1
1647 . 2 2 54 54 GLN CB C 13 28.112 0.25 . . . . . B 474 GLN CB . 18650 1
1648 . 2 2 54 54 GLN CG C 13 33.409 0.25 . . . . . B 474 GLN CG . 18650 1
1649 . 2 2 54 54 GLN N N 15 117.392 0.25 . . . . . B 474 GLN N . 18650 1
1650 . 2 2 54 54 GLN NE2 N 15 112.267 0.25 . . . . . B 474 GLN NE2 . 18650 1
1651 . 2 2 55 55 GLN H H 1 7.713 0.01 . . . . . B 475 GLN H . 18650 1
1652 . 2 2 55 55 GLN HA H 1 4.005 0.01 . . . . . B 475 GLN HA . 18650 1
1653 . 2 2 55 55 GLN HB2 H 1 2.115 0.01 . . . . . B 475 GLN HB2 . 18650 2
1654 . 2 2 55 55 GLN HB3 H 1 2.281 0.01 . . . . . B 475 GLN HB3 . 18650 2
1655 . 2 2 55 55 GLN HG2 H 1 2.455 0.01 . . . . . B 475 GLN HG2 . 18650 2
1656 . 2 2 55 55 GLN HG3 H 1 2.417 0.01 . . . . . B 475 GLN HG3 . 18650 2
1657 . 2 2 55 55 GLN HE21 H 1 6.907 0.01 . . . . . B 475 GLN HE21 . 18650 2
1658 . 2 2 55 55 GLN HE22 H 1 7.524 0.01 . . . . . B 475 GLN HE22 . 18650 2
1659 . 2 2 55 55 GLN CA C 13 58.003 0.25 . . . . . B 475 GLN CA . 18650 1
1660 . 2 2 55 55 GLN CB C 13 27.949 0.25 . . . . . B 475 GLN CB . 18650 1
1661 . 2 2 55 55 GLN CG C 13 33.563 0.25 . . . . . B 475 GLN CG . 18650 1
1662 . 2 2 55 55 GLN N N 15 116.259 0.25 . . . . . B 475 GLN N . 18650 1
1663 . 2 2 55 55 GLN NE2 N 15 111.641 0.25 . . . . . B 475 GLN NE2 . 18650 1
1664 . 2 2 56 56 LEU H H 1 7.389 0.01 . . . . . B 476 LEU H . 18650 1
1665 . 2 2 56 56 LEU HA H 1 3.939 0.01 . . . . . B 476 LEU HA . 18650 1
1666 . 2 2 56 56 LEU HB2 H 1 1.306 0.01 . . . . . B 476 LEU HB2 . 18650 2
1667 . 2 2 56 56 LEU HB3 H 1 1.306 0.01 . . . . . B 476 LEU HB3 . 18650 2
1668 . 2 2 56 56 LEU HG H 1 1.492 0.01 . . . . . B 476 LEU HG . 18650 1
1669 . 2 2 56 56 LEU HD11 H 1 0.679 0.01 . . . . . B 476 LEU HD11 . 18650 1
1670 . 2 2 56 56 LEU HD12 H 1 0.679 0.01 . . . . . B 476 LEU HD12 . 18650 1
1671 . 2 2 56 56 LEU HD13 H 1 0.679 0.01 . . . . . B 476 LEU HD13 . 18650 1
1672 . 2 2 56 56 LEU HD21 H 1 0.355 0.01 . . . . . B 476 LEU HD21 . 18650 1
1673 . 2 2 56 56 LEU HD22 H 1 0.355 0.01 . . . . . B 476 LEU HD22 . 18650 1
1674 . 2 2 56 56 LEU HD23 H 1 0.355 0.01 . . . . . B 476 LEU HD23 . 18650 1
1675 . 2 2 56 56 LEU CA C 13 57.137 0.25 . . . . . B 476 LEU CA . 18650 1
1676 . 2 2 56 56 LEU CB C 13 41.040 0.25 . . . . . B 476 LEU CB . 18650 1
1677 . 2 2 56 56 LEU CG C 13 26.570 0.25 . . . . . B 476 LEU CG . 18650 1
1678 . 2 2 56 56 LEU CD1 C 13 23.958 0.25 . . . . . B 476 LEU CD1 . 18650 2
1679 . 2 2 56 56 LEU CD2 C 13 24.395 0.25 . . . . . B 476 LEU CD2 . 18650 2
1680 . 2 2 56 56 LEU N N 15 121.000 0.25 . . . . . B 476 LEU N . 18650 1
1681 . 2 2 57 57 LEU H H 1 7.244 0.01 . . . . . B 477 LEU H . 18650 1
1682 . 2 2 57 57 LEU HA H 1 3.754 0.01 . . . . . B 477 LEU HA . 18650 1
1683 . 2 2 57 57 LEU HB2 H 1 1.327 0.01 . . . . . B 477 LEU HB2 . 18650 2
1684 . 2 2 57 57 LEU HB3 H 1 1.461 0.01 . . . . . B 477 LEU HB3 . 18650 2
1685 . 2 2 57 57 LEU HG H 1 1.082 0.01 . . . . . B 477 LEU HG . 18650 1
1686 . 2 2 57 57 LEU HD11 H 1 0.573 0.01 . . . . . B 477 LEU HD11 . 18650 1
1687 . 2 2 57 57 LEU HD12 H 1 0.573 0.01 . . . . . B 477 LEU HD12 . 18650 1
1688 . 2 2 57 57 LEU HD13 H 1 0.573 0.01 . . . . . B 477 LEU HD13 . 18650 1
1689 . 2 2 57 57 LEU HD21 H 1 0.415 0.01 . . . . . B 477 LEU HD21 . 18650 1
1690 . 2 2 57 57 LEU HD22 H 1 0.415 0.01 . . . . . B 477 LEU HD22 . 18650 1
1691 . 2 2 57 57 LEU HD23 H 1 0.415 0.01 . . . . . B 477 LEU HD23 . 18650 1
1692 . 2 2 57 57 LEU CA C 13 56.143 0.25 . . . . . B 477 LEU CA . 18650 1
1693 . 2 2 57 57 LEU CB C 13 41.090 0.25 . . . . . B 477 LEU CB . 18650 1
1694 . 2 2 57 57 LEU CG C 13 26.024 0.25 . . . . . B 477 LEU CG . 18650 1
1695 . 2 2 57 57 LEU CD1 C 13 25.376 0.25 . . . . . B 477 LEU CD1 . 18650 2
1696 . 2 2 57 57 LEU CD2 C 13 22.195 0.25 . . . . . B 477 LEU CD2 . 18650 2
1697 . 2 2 57 57 LEU N N 15 116.212 0.25 . . . . . B 477 LEU N . 18650 1
1698 . 2 2 58 58 ASN H H 1 7.767 0.01 . . . . . B 478 ASN H . 18650 1
1699 . 2 2 58 58 ASN HA H 1 4.618 0.01 . . . . . B 478 ASN HA . 18650 1
1700 . 2 2 58 58 ASN HB2 H 1 2.894 0.01 . . . . . B 478 ASN HB2 . 18650 2
1701 . 2 2 58 58 ASN HB3 H 1 2.756 0.01 . . . . . B 478 ASN HB3 . 18650 2
1702 . 2 2 58 58 ASN HD21 H 1 6.963 0.01 . . . . . B 478 ASN HD21 . 18650 2
1703 . 2 2 58 58 ASN HD22 H 1 7.575 0.01 . . . . . B 478 ASN HD22 . 18650 2
1704 . 2 2 58 58 ASN CA C 13 53.475 0.25 . . . . . B 478 ASN CA . 18650 1
1705 . 2 2 58 58 ASN CB C 13 38.284 0.25 . . . . . B 478 ASN CB . 18650 1
1706 . 2 2 58 58 ASN N N 15 116.460 0.25 . . . . . B 478 ASN N . 18650 1
1707 . 2 2 58 58 ASN ND2 N 15 111.257 0.25 . . . . . B 478 ASN ND2 . 18650 1
1708 . 2 2 59 59 GLN H H 1 7.925 0.01 . . . . . B 479 GLN H . 18650 1
1709 . 2 2 59 59 GLN HA H 1 4.255 0.01 . . . . . B 479 GLN HA . 18650 1
1710 . 2 2 59 59 GLN HB2 H 1 2.168 0.01 . . . . . B 479 GLN HB2 . 18650 2
1711 . 2 2 59 59 GLN HB3 H 1 2.168 0.01 . . . . . B 479 GLN HB3 . 18650 2
1712 . 2 2 59 59 GLN HG2 H 1 2.490 0.01 . . . . . B 479 GLN HG2 . 18650 2
1713 . 2 2 59 59 GLN HG3 H 1 2.432 0.01 . . . . . B 479 GLN HG3 . 18650 2
1714 . 2 2 59 59 GLN HE21 H 1 7.553 0.01 . . . . . B 479 GLN HE21 . 18650 2
1715 . 2 2 59 59 GLN HE22 H 1 6.961 0.01 . . . . . B 479 GLN HE22 . 18650 2
1716 . 2 2 59 59 GLN CA C 13 56.339 0.25 . . . . . B 479 GLN CA . 18650 1
1717 . 2 2 59 59 GLN CB C 13 28.746 0.25 . . . . . B 479 GLN CB . 18650 1
1718 . 2 2 59 59 GLN CG C 13 33.720 0.25 . . . . . B 479 GLN CG . 18650 1
1719 . 2 2 59 59 GLN N N 15 119.455 0.25 . . . . . B 479 GLN N . 18650 1
1720 . 2 2 59 59 GLN NE2 N 15 111.487 0.25 . . . . . B 479 GLN NE2 . 18650 1
1721 . 2 2 60 60 GLY H H 1 8.348 0.01 . . . . . B 480 GLY H . 18650 1
1722 . 2 2 60 60 GLY HA2 H 1 3.989 0.01 . . . . . B 480 GLY HA2 . 18650 2
1723 . 2 2 60 60 GLY HA3 H 1 3.989 0.01 . . . . . B 480 GLY HA3 . 18650 2
1724 . 2 2 60 60 GLY CA C 13 45.082 0.25 . . . . . B 480 GLY CA . 18650 1
1725 . 2 2 60 60 GLY N N 15 109.147 0.25 . . . . . B 480 GLY N . 18650 1
1726 . 2 2 61 61 VAL H H 1 7.971 0.01 . . . . . B 481 VAL H . 18650 1
1727 . 2 2 61 61 VAL HA H 1 4.149 0.01 . . . . . B 481 VAL HA . 18650 1
1728 . 2 2 61 61 VAL HB H 1 2.087 0.01 . . . . . B 481 VAL HB . 18650 1
1729 . 2 2 61 61 VAL HG11 H 1 0.894 0.01 . . . . . B 481 VAL HG11 . 18650 1
1730 . 2 2 61 61 VAL HG12 H 1 0.894 0.01 . . . . . B 481 VAL HG12 . 18650 1
1731 . 2 2 61 61 VAL HG13 H 1 0.894 0.01 . . . . . B 481 VAL HG13 . 18650 1
1732 . 2 2 61 61 VAL HG21 H 1 0.891 0.01 . . . . . B 481 VAL HG21 . 18650 1
1733 . 2 2 61 61 VAL HG22 H 1 0.891 0.01 . . . . . B 481 VAL HG22 . 18650 1
1734 . 2 2 61 61 VAL HG23 H 1 0.891 0.01 . . . . . B 481 VAL HG23 . 18650 1
1735 . 2 2 61 61 VAL CA C 13 61.864 0.25 . . . . . B 481 VAL CA . 18650 1
1736 . 2 2 61 61 VAL CB C 13 32.538 0.25 . . . . . B 481 VAL CB . 18650 1
1737 . 2 2 61 61 VAL CG1 C 13 20.887 0.25 . . . . . B 481 VAL CG1 . 18650 2
1738 . 2 2 61 61 VAL CG2 C 13 20.012 0.25 . . . . . B 481 VAL CG2 . 18650 2
1739 . 2 2 61 61 VAL N N 15 118.669 0.25 . . . . . B 481 VAL N . 18650 1
1740 . 2 2 62 62 SER H H 1 8.421 0.01 . . . . . B 482 SER H . 18650 1
1741 . 2 2 62 62 SER HA H 1 4.448 0.01 . . . . . B 482 SER HA . 18650 1
1742 . 2 2 62 62 SER HB2 H 1 3.841 0.01 . . . . . B 482 SER HB2 . 18650 2
1743 . 2 2 62 62 SER HB3 H 1 3.841 0.01 . . . . . B 482 SER HB3 . 18650 2
1744 . 2 2 62 62 SER CA C 13 57.931 0.25 . . . . . B 482 SER CA . 18650 1
1745 . 2 2 62 62 SER CB C 13 63.310 0.25 . . . . . B 482 SER CB . 18650 1
1746 . 2 2 62 62 SER N N 15 118.973 0.25 . . . . . B 482 SER N . 18650 1
1747 . 2 2 63 63 MET H H 1 8.472 0.01 . . . . . B 483 MET H . 18650 1
1748 . 2 2 63 63 MET HA H 1 4.513 0.01 . . . . . B 483 MET HA . 18650 1
1749 . 2 2 63 63 MET HB2 H 1 2.085 0.01 . . . . . B 483 MET HB2 . 18650 2
1750 . 2 2 63 63 MET HB3 H 1 1.968 0.01 . . . . . B 483 MET HB3 . 18650 2
1751 . 2 2 63 63 MET HG2 H 1 2.564 0.01 . . . . . B 483 MET HG2 . 18650 2
1752 . 2 2 63 63 MET HG3 H 1 2.509 0.01 . . . . . B 483 MET HG3 . 18650 2
1753 . 2 2 63 63 MET HE1 H 1 2.054 0.01 . . . . . B 483 MET HE1 . 18650 1
1754 . 2 2 63 63 MET HE2 H 1 2.054 0.01 . . . . . B 483 MET HE2 . 18650 1
1755 . 2 2 63 63 MET HE3 H 1 2.054 0.01 . . . . . B 483 MET HE3 . 18650 1
1756 . 2 2 63 63 MET CA C 13 55.130 0.25 . . . . . B 483 MET CA . 18650 1
1757 . 2 2 63 63 MET CB C 13 32.618 0.25 . . . . . B 483 MET CB . 18650 1
1758 . 2 2 63 63 MET CG C 13 31.733 0.25 . . . . . B 483 MET CG . 18650 1
1759 . 2 2 63 63 MET CE C 13 16.653 0.25 . . . . . B 483 MET CE . 18650 1
1760 . 2 2 63 63 MET N N 15 122.653 0.25 . . . . . B 483 MET N . 18650 1
1761 . 2 2 64 64 SER H H 1 8.312 0.01 . . . . . B 484 SER H . 18650 1
1762 . 2 2 64 64 SER HA H 1 4.397 0.01 . . . . . B 484 SER HA . 18650 1
1763 . 2 2 64 64 SER HB2 H 1 3.797 0.01 . . . . . B 484 SER HB2 . 18650 2
1764 . 2 2 64 64 SER HB3 H 1 3.797 0.01 . . . . . B 484 SER HB3 . 18650 2
1765 . 2 2 64 64 SER CA C 13 58.001 0.25 . . . . . B 484 SER CA . 18650 1
1766 . 2 2 64 64 SER CB C 13 63.388 0.25 . . . . . B 484 SER CB . 18650 1
1767 . 2 2 64 64 SER N N 15 116.533 0.25 . . . . . B 484 SER N . 18650 1
1768 . 2 2 65 65 HIS H H 1 8.472 0.01 . . . . . B 485 HIS H . 18650 1
1769 . 2 2 65 65 HIS HA H 1 4.620 0.01 . . . . . B 485 HIS HA . 18650 1
1770 . 2 2 65 65 HIS HB2 H 1 3.075 0.01 . . . . . B 485 HIS HB2 . 18650 1
1771 . 2 2 65 65 HIS HB3 H 1 3.104 0.01 . . . . . B 485 HIS HB3 . 18650 1
1772 . 2 2 65 65 HIS HD2 H 1 6.971 0.01 . . . . . B 485 HIS HD2 . 18650 1
1773 . 2 2 65 65 HIS CA C 13 56.205 0.25 . . . . . B 485 HIS CA . 18650 1
1774 . 2 2 65 65 HIS CB C 13 30.559 0.25 . . . . . B 485 HIS CB . 18650 1
1775 . 2 2 65 65 HIS CD2 C 13 119.278 0.25 . . . . . B 485 HIS CD2 . 18650 1
1776 . 2 2 65 65 HIS N N 15 123.016 0.25 . . . . . B 485 HIS N . 18650 1
1777 . 2 2 66 66 SER H H 1 8.457 0.01 . . . . . B 486 SER H . 18650 1
1778 . 2 2 66 66 SER HA H 1 4.504 0.01 . . . . . B 486 SER HA . 18650 1
1779 . 2 2 66 66 SER HB2 H 1 3.875 0.01 . . . . . B 486 SER HB2 . 18650 2
1780 . 2 2 66 66 SER HB3 H 1 3.875 0.01 . . . . . B 486 SER HB3 . 18650 2
1781 . 2 2 66 66 SER CA C 13 58.098 0.25 . . . . . B 486 SER CA . 18650 1
1782 . 2 2 66 66 SER CB C 13 63.470 0.25 . . . . . B 486 SER CB . 18650 1
1783 . 2 2 66 66 SER N N 15 117.328 0.25 . . . . . B 486 SER N . 18650 1
1784 . 2 2 67 67 THR H H 1 8.288 0.01 . . . . . B 487 THR H . 18650 1
1785 . 2 2 67 67 THR HA H 1 4.352 0.01 . . . . . B 487 THR HA . 18650 1
1786 . 2 2 67 67 THR HB H 1 4.254 0.01 . . . . . B 487 THR HB . 18650 1
1787 . 2 2 67 67 THR HG21 H 1 1.192 0.01 . . . . . B 487 THR HG21 . 18650 1
1788 . 2 2 67 67 THR HG22 H 1 1.192 0.01 . . . . . B 487 THR HG22 . 18650 1
1789 . 2 2 67 67 THR HG23 H 1 1.192 0.01 . . . . . B 487 THR HG23 . 18650 1
1790 . 2 2 67 67 THR CA C 13 61.428 0.25 . . . . . B 487 THR CA . 18650 1
1791 . 2 2 67 67 THR CB C 13 69.314 0.25 . . . . . B 487 THR CB . 18650 1
1792 . 2 2 67 67 THR CG2 C 13 21.343 0.25 . . . . . B 487 THR CG2 . 18650 1
1793 . 2 2 67 67 THR N N 15 115.911 0.25 . . . . . B 487 THR N . 18650 1
1794 . 2 2 68 68 ALA H H 1 8.297 0.01 . . . . . B 488 ALA H . 18650 1
1795 . 2 2 68 68 ALA HA H 1 4.330 0.01 . . . . . B 488 ALA HA . 18650 1
1796 . 2 2 68 68 ALA HB1 H 1 1.346 0.01 . . . . . B 488 ALA HB1 . 18650 1
1797 . 2 2 68 68 ALA HB2 H 1 1.346 0.01 . . . . . B 488 ALA HB2 . 18650 1
1798 . 2 2 68 68 ALA HB3 H 1 1.346 0.01 . . . . . B 488 ALA HB3 . 18650 1
1799 . 2 2 68 68 ALA CA C 13 51.936 0.25 . . . . . B 488 ALA CA . 18650 1
1800 . 2 2 68 68 ALA CB C 13 19.095 0.25 . . . . . B 488 ALA CB . 18650 1
1801 . 2 2 68 68 ALA N N 15 126.132 0.25 . . . . . B 488 ALA N . 18650 1
1802 . 2 2 69 69 GLU H H 1 8.275 0.01 . . . . . B 489 GLU H . 18650 1
1803 . 2 2 69 69 GLU HA H 1 4.548 0.01 . . . . . B 489 GLU HA . 18650 1
1804 . 2 2 69 69 GLU HB2 H 1 2.057 0.01 . . . . . B 489 GLU HB2 . 18650 2
1805 . 2 2 69 69 GLU HB3 H 1 1.871 0.01 . . . . . B 489 GLU HB3 . 18650 2
1806 . 2 2 69 69 GLU HG2 H 1 2.054 0.01 . . . . . B 489 GLU HG2 . 18650 2
1807 . 2 2 69 69 GLU HG3 H 1 2.285 0.01 . . . . . B 489 GLU HG3 . 18650 2
1808 . 2 2 69 69 GLU CA C 13 53.817 0.25 . . . . . B 489 GLU CA . 18650 1
1809 . 2 2 69 69 GLU CB C 13 29.449 0.25 . . . . . B 489 GLU CB . 18650 1
1810 . 2 2 69 69 GLU CG C 13 35.858 0.25 . . . . . B 489 GLU CG . 18650 1
1811 . 2 2 69 69 GLU N N 15 121.978 0.25 . . . . . B 489 GLU N . 18650 1
1812 . 2 2 70 70 PRO HA H 1 4.201 0.01 . . . . . B 490 PRO HA . 18650 1
1813 . 2 2 70 70 PRO HB2 H 1 2.190 0.01 . . . . . B 490 PRO HB2 . 18650 1
1814 . 2 2 70 70 PRO HB3 H 1 1.879 0.01 . . . . . B 490 PRO HB3 . 18650 1
1815 . 2 2 70 70 PRO HG2 H 1 1.985 0.01 . . . . . B 490 PRO HG2 . 18650 1
1816 . 2 2 70 70 PRO HG3 H 1 1.937 0.01 . . . . . B 490 PRO HG3 . 18650 1
1817 . 2 2 70 70 PRO HD2 H 1 3.722 0.01 . . . . . B 490 PRO HD2 . 18650 1
1818 . 2 2 70 70 PRO HD3 H 1 3.664 0.01 . . . . . B 490 PRO HD3 . 18650 1
1819 . 2 2 70 70 PRO CA C 13 64.557 0.25 . . . . . B 490 PRO CA . 18650 1
1820 . 2 2 70 70 PRO CB C 13 31.825 0.25 . . . . . B 490 PRO CB . 18650 1
1821 . 2 2 70 70 PRO CG C 13 26.929 0.25 . . . . . B 490 PRO CG . 18650 1
1822 . 2 2 70 70 PRO CD C 13 49.984 0.25 . . . . . B 490 PRO CD . 18650 1
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