data_25149
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 25149
_Entry.Title
;
Isolated Ring domain
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2014-08-13
_Entry.Accession_date 2014-08-13
_Entry.Last_release_date 2014-10-27
_Entry.Original_release_date 2014-10-27
_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 'NMR, 20 STRUCTURES'
_Entry.Details 'RING domain repurposing mechanism for 2-step polyubiquitination by the human APC'
_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 Nicholas Brown . G. . 25149
2 Edmond Watson . R. . 25149
3 Florian Weissman . . . 25149
4 Grace Royappa . . . 25149
5 Brenda Schulman . . . 25149
6 Marc Jarvis . . . 25149
7 Ryan Vanderlinden . . . 25149
8 Jeremiah Frye . J. . 25149
9 Renping Qiao . . . 25149
10 Georg Petzold . . . 25149
11 Jan-Michael Peters . . . 25149
12 Holger Stark . . . 25149
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' . 25149
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'Ring domain' . 25149
'zinc binding domain' . 25149
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 25149
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 469 25149
'13C chemical shifts' 292 25149
'15N chemical shifts' 76 25149
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2014-10-27 2014-08-13 original author . 25149
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2MT5 'BMRB Entry Tracking System' 25149
stop_
save_
###############
# Citations #
###############
save_citations
_Citation.Sf_category citations
_Citation.Sf_framecode citations
_Citation.Entry_ID 25149
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 25306923
_Citation.Full_citation .
_Citation.Title 'Mechanism of Polyubiquitination by Human Anaphase-Promoting Complex: RING Repurposing for Ubiquitin Chain Assembly'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Mol. Cell'
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_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 2014
_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 Nicholas Brown . G. . 25149 1
2 Edmond Watson . R. . 25149 1
3 Florian Weissman . . . 25149 1
4 Grace Royappa . . . 25149 1
5 Marc Jarvis . . . 25149 1
6 Ryan Vanderlinden . . . 25149 1
7 Jeremiah Frye . J. . 25149 1
8 Renping Qiao . . . 25149 1
9 Georg Petzold . . . 25149 1
10 Jan-Michael Peters . . . 25149 1
11 Holger Stark . . . 25149 1
12 Brenda Schulman . . . 25149 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 25149
_Assembly.ID 1
_Assembly.Name 'Isolated Ring domain'
_Assembly.BMRB_code .
_Assembly.Number_of_components 4
_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 entity_1 1 $entity_1 A . yes native no no . . . 25149 1
2 'Zinc Ion 1' 2 $entity_ZN B . no native no no . . . 25149 1
3 'Zinc Ion 2' 2 $entity_ZN C . no native no no . . . 25149 1
4 'Zinc Ion 3' 2 $entity_ZN D . no native no no . . . 25149 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 25149
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity_1
_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
;
GSVANDENCGICRMAFNGCC
PDCKVPGDDCPLVWGQCSHC
FHMHCILKWLHAQQVQQHCP
MCRQEWKFKE
;
_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 70
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 8191.060
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2MT5 . "Isolated Ring Domain" . . . . . 100.00 70 100.00 100.00 3.88e-43 . . . . 25149 1
2 no PDB 4R2Y . "Crystal Structure Of Apc11 Ring Domain" . . . . . 97.14 68 100.00 100.00 1.55e-41 . . . . 25149 1
3 no PDB 4UI9 . "Atomic Structure Of The Human Anaphase-promoting Complex" . . . . . 97.14 84 100.00 100.00 1.57e-41 . . . . 25149 1
4 no DBJ BAB22663 . "unnamed protein product [Mus musculus]" . . . . . 97.14 84 98.53 100.00 7.75e-41 . . . . 25149 1
5 no DBJ BAB22890 . "unnamed protein product [Mus musculus]" . . . . . 97.14 84 98.53 100.00 7.75e-41 . . . . 25149 1
6 no DBJ BAB22937 . "unnamed protein product [Mus musculus]" . . . . . 60.00 42 97.62 100.00 2.54e-20 . . . . 25149 1
7 no DBJ BAC32348 . "unnamed protein product [Mus musculus]" . . . . . 97.14 84 98.53 100.00 7.75e-41 . . . . 25149 1
8 no DBJ BAE22944 . "unnamed protein product [Mus musculus]" . . . . . 97.14 84 98.53 100.00 7.75e-41 . . . . 25149 1
9 no EMBL CAH92008 . "hypothetical protein [Pongo abelii]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1
10 no GB AAF65816 . "anaphase promoting complex subunit 11 [Homo sapiens]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1
11 no GB AAH23039 . "Anaphase promoting complex subunit 11 [Mus musculus]" . . . . . 97.14 84 98.53 100.00 7.75e-41 . . . . 25149 1
12 no GB AAH66308 . "Anaphase promoting complex subunit 11 [Homo sapiens]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1
13 no GB AAH95454 . "Anaphase promoting complex subunit 11 [Homo sapiens]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1
14 no GB AAI02427 . "ANAPC11 protein [Bos taurus]" . . . . . 97.14 84 98.53 100.00 8.01e-41 . . . . 25149 1
15 no REF NP_001002245 . "anaphase-promoting complex subunit 11 isoform 2 [Homo sapiens]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1
16 no REF NP_001002246 . "anaphase-promoting complex subunit 11 isoform 2 [Homo sapiens]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1
17 no REF NP_001002247 . "anaphase-promoting complex subunit 11 isoform 2 [Homo sapiens]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1
18 no REF NP_001002248 . "anaphase-promoting complex subunit 11 isoform 2 [Homo sapiens]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1
19 no REF NP_001002249 . "anaphase-promoting complex subunit 11 isoform 2 [Homo sapiens]" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1
20 no SP Q3ZCF6 . "RecName: Full=Anaphase-promoting complex subunit 11; Short=APC11; AltName: Full=Cyclosome subunit 11" . . . . . 97.14 84 98.53 100.00 8.01e-41 . . . . 25149 1
21 no SP Q5R8A2 . "RecName: Full=Anaphase-promoting complex subunit 11; Short=APC11; AltName: Full=Cyclosome subunit 11" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1
22 no SP Q9CPX9 . "RecName: Full=Anaphase-promoting complex subunit 11; Short=APC11; AltName: Full=Cyclosome subunit 11" . . . . . 97.14 84 98.53 100.00 7.75e-41 . . . . 25149 1
23 no SP Q9NYG5 . "RecName: Full=Anaphase-promoting complex subunit 11; Short=APC11; AltName: Full=Cyclosome subunit 11; AltName: Full=Hepatocellu" . . . . . 97.14 84 100.00 100.00 1.30e-41 . . . . 25149 1
24 no TPG DAA14168 . "TPA: anaphase promoting complex subunit 11-like [Bos taurus]" . . . . . 97.14 79 97.06 98.53 1.01e-39 . . . . 25149 1
25 no TPG DAA18262 . "TPA: anaphase-promoting complex subunit 11 [Bos taurus]" . . . . . 97.14 84 98.53 100.00 8.01e-41 . . . . 25149 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 1 GLY . 25149 1
2 2 SER . 25149 1
3 3 VAL . 25149 1
4 4 ALA . 25149 1
5 5 ASN . 25149 1
6 6 ASP . 25149 1
7 7 GLU . 25149 1
8 8 ASN . 25149 1
9 9 CYS . 25149 1
10 10 GLY . 25149 1
11 11 ILE . 25149 1
12 12 CYS . 25149 1
13 13 ARG . 25149 1
14 14 MET . 25149 1
15 15 ALA . 25149 1
16 16 PHE . 25149 1
17 17 ASN . 25149 1
18 18 GLY . 25149 1
19 19 CYS . 25149 1
20 20 CYS . 25149 1
21 21 PRO . 25149 1
22 22 ASP . 25149 1
23 23 CYS . 25149 1
24 24 LYS . 25149 1
25 25 VAL . 25149 1
26 26 PRO . 25149 1
27 27 GLY . 25149 1
28 28 ASP . 25149 1
29 29 ASP . 25149 1
30 30 CYS . 25149 1
31 31 PRO . 25149 1
32 32 LEU . 25149 1
33 33 VAL . 25149 1
34 34 TRP . 25149 1
35 35 GLY . 25149 1
36 36 GLN . 25149 1
37 37 CYS . 25149 1
38 38 SER . 25149 1
39 39 HIS . 25149 1
40 40 CYS . 25149 1
41 41 PHE . 25149 1
42 42 HIS . 25149 1
43 43 MET . 25149 1
44 44 HIS . 25149 1
45 45 CYS . 25149 1
46 46 ILE . 25149 1
47 47 LEU . 25149 1
48 48 LYS . 25149 1
49 49 TRP . 25149 1
50 50 LEU . 25149 1
51 51 HIS . 25149 1
52 52 ALA . 25149 1
53 53 GLN . 25149 1
54 54 GLN . 25149 1
55 55 VAL . 25149 1
56 56 GLN . 25149 1
57 57 GLN . 25149 1
58 58 HIS . 25149 1
59 59 CYS . 25149 1
60 60 PRO . 25149 1
61 61 MET . 25149 1
62 62 CYS . 25149 1
63 63 ARG . 25149 1
64 64 GLN . 25149 1
65 65 GLU . 25149 1
66 66 TRP . 25149 1
67 67 LYS . 25149 1
68 68 PHE . 25149 1
69 69 LYS . 25149 1
70 70 GLU . 25149 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 25149 1
. SER 2 2 25149 1
. VAL 3 3 25149 1
. ALA 4 4 25149 1
. ASN 5 5 25149 1
. ASP 6 6 25149 1
. GLU 7 7 25149 1
. ASN 8 8 25149 1
. CYS 9 9 25149 1
. GLY 10 10 25149 1
. ILE 11 11 25149 1
. CYS 12 12 25149 1
. ARG 13 13 25149 1
. MET 14 14 25149 1
. ALA 15 15 25149 1
. PHE 16 16 25149 1
. ASN 17 17 25149 1
. GLY 18 18 25149 1
. CYS 19 19 25149 1
. CYS 20 20 25149 1
. PRO 21 21 25149 1
. ASP 22 22 25149 1
. CYS 23 23 25149 1
. LYS 24 24 25149 1
. VAL 25 25 25149 1
. PRO 26 26 25149 1
. GLY 27 27 25149 1
. ASP 28 28 25149 1
. ASP 29 29 25149 1
. CYS 30 30 25149 1
. PRO 31 31 25149 1
. LEU 32 32 25149 1
. VAL 33 33 25149 1
. TRP 34 34 25149 1
. GLY 35 35 25149 1
. GLN 36 36 25149 1
. CYS 37 37 25149 1
. SER 38 38 25149 1
. HIS 39 39 25149 1
. CYS 40 40 25149 1
. PHE 41 41 25149 1
. HIS 42 42 25149 1
. MET 43 43 25149 1
. HIS 44 44 25149 1
. CYS 45 45 25149 1
. ILE 46 46 25149 1
. LEU 47 47 25149 1
. LYS 48 48 25149 1
. TRP 49 49 25149 1
. LEU 50 50 25149 1
. HIS 51 51 25149 1
. ALA 52 52 25149 1
. GLN 53 53 25149 1
. GLN 54 54 25149 1
. VAL 55 55 25149 1
. GLN 56 56 25149 1
. GLN 57 57 25149 1
. HIS 58 58 25149 1
. CYS 59 59 25149 1
. PRO 60 60 25149 1
. MET 61 61 25149 1
. CYS 62 62 25149 1
. ARG 63 63 25149 1
. GLN 64 64 25149 1
. GLU 65 65 25149 1
. TRP 66 66 25149 1
. LYS 67 67 25149 1
. PHE 68 68 25149 1
. LYS 69 69 25149 1
. GLU 70 70 25149 1
stop_
save_
save_entity_ZN
_Entity.Sf_category entity
_Entity.Sf_framecode entity_ZN
_Entity.Entry_ID 25149
_Entity.ID 2
_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 2
_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 25149 2
stop_
loop_
_Entity_systematic_name.Name
_Entity_systematic_name.Naming_system
_Entity_systematic_name.Entry_ID
_Entity_systematic_name.Entity_ID
'ZINC ION' BMRB 25149 2
ZN 'Three letter code' 25149 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 1 ZN $chem_comp_ZN 25149 2
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 25149
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25149 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 25149
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'GST-Fusion with C-terminal Cys-His6tag' . . . . . . 25149 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 25149
_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 2012-11-20
_Chem_comp.Modified_date 2012-11-20
_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 25149 ZN
PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25149 ZN
[Zn++] SMILES CACTVS 3.341 25149 ZN
[Zn++] SMILES_CANONICAL CACTVS 3.341 25149 ZN
[Zn+2] SMILES ACDLabs 10.04 25149 ZN
[Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25149 ZN
[Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25149 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 25149 ZN
'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25149 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 . 25149 ZN
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 25149
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 25149 1
2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25149 1
3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25149 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 25149
_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
temperature 298 . K 25149 1
pH 7.0 . pH 25149 1
pressure 1 . atm 25149 1
'ionic strength' 100 . mM 25149 1
stop_
save_
############################
# Computer software used #
############################
save_cyana
_Software.Sf_category software
_Software.Sf_framecode cyana
_Software.Entry_ID 25149
_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' . . 25149 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 25149 1
'data analysis' 25149 1
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 25149
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_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 25149
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
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 25149
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker Avance . 600 . . . 25149 1
2 spectrometer_2 Bruker Avance . 800 . . . 25149 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 25149
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25149 1
2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25149 1
3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25149 1
4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25149 1
5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25149 1
6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25149 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 25149
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25149 1
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25149 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25149 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 25149
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 25149 1
3 '3D HNCACB' . . . 25149 1
stop_
loop_
_Systematic_chem_shift_offset.Type
_Systematic_chem_shift_offset.Atom_type
_Systematic_chem_shift_offset.Atom_isotope_number
_Systematic_chem_shift_offset.Val
_Systematic_chem_shift_offset.Val_err
_Systematic_chem_shift_offset.Entry_ID
_Systematic_chem_shift_offset.Assigned_chem_shift_list_ID
'TROSY offset' 'amide nitrogens' 15 . . 25149 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 GLY HA2 H 1 4.119 0.02 . 2 . . . A 1 GLY HA2 . 25149 1
2 . 1 1 1 1 GLY HA3 H 1 3.598 0.02 . 2 . . . A 1 GLY HA3 . 25149 1
3 . 1 1 1 1 GLY CA C 13 46.957 0.4 . 1 . . . A 1 GLY CA . 25149 1
4 . 1 1 2 2 SER HA H 1 4.417 0.02 . 1 . . . A 2 SER HA . 25149 1
5 . 1 1 2 2 SER HB2 H 1 4.411 0.02 . 2 . . . A 2 SER HB2 . 25149 1
6 . 1 1 2 2 SER HB3 H 1 4.411 0.02 . 2 . . . A 2 SER HB3 . 25149 1
7 . 1 1 2 2 SER CA C 13 58.322 0.4 . 1 . . . A 2 SER CA . 25149 1
8 . 1 1 2 2 SER CB C 13 64.169 0.4 . 1 . . . A 2 SER CB . 25149 1
9 . 1 1 3 3 VAL H H 1 8.17 0.02 . 1 . . . A 3 VAL H . 25149 1
10 . 1 1 3 3 VAL HA H 1 4.046 0.02 . 1 . . . A 3 VAL HA . 25149 1
11 . 1 1 3 3 VAL HB H 1 1.949 0.02 . 1 . . . A 3 VAL HB . 25149 1
12 . 1 1 3 3 VAL HG11 H 1 0.768 0.02 . 2 . . . A 3 VAL HG11 . 25149 1
13 . 1 1 3 3 VAL HG12 H 1 0.768 0.02 . 2 . . . A 3 VAL HG11 . 25149 1
14 . 1 1 3 3 VAL HG13 H 1 0.768 0.02 . 2 . . . A 3 VAL HG11 . 25149 1
15 . 1 1 3 3 VAL HG21 H 1 0.768 0.02 . 2 . . . A 3 VAL HG22 . 25149 1
16 . 1 1 3 3 VAL HG22 H 1 0.768 0.02 . 2 . . . A 3 VAL HG22 . 25149 1
17 . 1 1 3 3 VAL HG23 H 1 0.768 0.02 . 2 . . . A 3 VAL HG22 . 25149 1
18 . 1 1 3 3 VAL C C 13 175.879 0.4 . 1 . . . A 3 VAL C . 25149 1
19 . 1 1 3 3 VAL CA C 13 62.138 0.4 . 1 . . . A 3 VAL CA . 25149 1
20 . 1 1 3 3 VAL CB C 13 32.958 0.4 . 1 . . . A 3 VAL CB . 25149 1
21 . 1 1 3 3 VAL CG1 C 13 21.134 0.4 . 1 . . . A 3 VAL CG1 . 25149 1
22 . 1 1 3 3 VAL N N 15 121.214 0.4 . 1 . . . A 3 VAL N . 25149 1
23 . 1 1 4 4 ALA H H 1 8.294 0.02 . 1 . . . A 4 ALA H . 25149 1
24 . 1 1 4 4 ALA HA H 1 4.197 0.02 . 1 . . . A 4 ALA HA . 25149 1
25 . 1 1 4 4 ALA HB1 H 1 1.243 0.02 . 1 . . . A 4 ALA HB1 . 25149 1
26 . 1 1 4 4 ALA HB2 H 1 1.243 0.02 . 1 . . . A 4 ALA HB2 . 25149 1
27 . 1 1 4 4 ALA HB3 H 1 1.243 0.02 . 1 . . . A 4 ALA HB3 . 25149 1
28 . 1 1 4 4 ALA C C 13 177.497 0.4 . 1 . . . A 4 ALA C . 25149 1
29 . 1 1 4 4 ALA CA C 13 52.439 0.4 . 1 . . . A 4 ALA CA . 25149 1
30 . 1 1 4 4 ALA CB C 13 19.424 0.4 . 1 . . . A 4 ALA CB . 25149 1
31 . 1 1 4 4 ALA N N 15 127.312 0.4 . 1 . . . A 4 ALA N . 25149 1
32 . 1 1 5 5 ASN H H 1 8.252 0.02 . 1 . . . A 5 ASN H . 25149 1
33 . 1 1 5 5 ASN HA H 1 4.565 0.02 . 1 . . . A 5 ASN HA . 25149 1
34 . 1 1 5 5 ASN HB2 H 1 2.694 0.02 . 2 . . . A 5 ASN HB2 . 25149 1
35 . 1 1 5 5 ASN HB3 H 1 2.622 0.02 . 2 . . . A 5 ASN HB3 . 25149 1
36 . 1 1 5 5 ASN HD21 H 1 7.478 0.02 . 2 . . . A 5 ASN HD21 . 25149 1
37 . 1 1 5 5 ASN HD22 H 1 6.78 0.02 . 2 . . . A 5 ASN HD21 . 25149 1
38 . 1 1 5 5 ASN C C 13 175.048 0.4 . 1 . . . A 5 ASN C . 25149 1
39 . 1 1 5 5 ASN CA C 13 53.725 0.4 . 1 . . . A 5 ASN CA . 25149 1
40 . 1 1 5 5 ASN CB C 13 39.197 0.4 . 1 . . . A 5 ASN CB . 25149 1
41 . 1 1 5 5 ASN N N 15 117.674 0.4 . 1 . . . A 5 ASN N . 25149 1
42 . 1 1 5 5 ASN ND2 N 15 112.513 0.4 . 1 . . . A 5 ASN ND2 . 25149 1
43 . 1 1 6 6 ASP H H 1 8.215 0.02 . 1 . . . A 6 ASP H . 25149 1
44 . 1 1 6 6 ASP HA H 1 4.52 0.02 . 1 . . . A 6 ASP HA . 25149 1
45 . 1 1 6 6 ASP HB2 H 1 2.597 0.02 . 2 . . . A 6 ASP HB2 . 25149 1
46 . 1 1 6 6 ASP HB3 H 1 2.597 0.02 . 2 . . . A 6 ASP HB3 . 25149 1
47 . 1 1 6 6 ASP C C 13 176.269 0.4 . 1 . . . A 6 ASP C . 25149 1
48 . 1 1 6 6 ASP CA C 13 54.497 0.4 . 1 . . . A 6 ASP CA . 25149 1
49 . 1 1 6 6 ASP CB C 13 41.104 0.4 . 1 . . . A 6 ASP CB . 25149 1
50 . 1 1 6 6 ASP N N 15 119.896 0.4 . 1 . . . A 6 ASP N . 25149 1
51 . 1 1 7 7 GLU H H 1 8.065 0.02 . 1 . . . A 7 GLU H . 25149 1
52 . 1 1 7 7 GLU HA H 1 4.243 0.02 . 1 . . . A 7 GLU HA . 25149 1
53 . 1 1 7 7 GLU HB2 H 1 1.983 0.02 . 2 . . . A 7 GLU HB2 . 25149 1
54 . 1 1 7 7 GLU HB3 H 1 1.76 0.02 . 2 . . . A 7 GLU HB3 . 25149 1
55 . 1 1 7 7 GLU HG2 H 1 2.139 0.02 . 2 . . . A 7 GLU HG2 . 25149 1
56 . 1 1 7 7 GLU HG3 H 1 2.139 0.02 . 2 . . . A 7 GLU HG3 . 25149 1
57 . 1 1 7 7 GLU C C 13 175.006 0.4 . 1 . . . A 7 GLU C . 25149 1
58 . 1 1 7 7 GLU CA C 13 56.689 0.4 . 1 . . . A 7 GLU CA . 25149 1
59 . 1 1 7 7 GLU CB C 13 30.379 0.4 . 1 . . . A 7 GLU CB . 25149 1
60 . 1 1 7 7 GLU CG C 13 36.271 0.4 . 1 . . . A 7 GLU CG . 25149 1
61 . 1 1 7 7 GLU N N 15 119.101 0.4 . 1 . . . A 7 GLU N . 25149 1
62 . 1 1 8 8 ASN H H 1 7.505 0.02 . 1 . . . A 8 ASN H . 25149 1
63 . 1 1 8 8 ASN HA H 1 4.158 0.02 . 1 . . . A 8 ASN HA . 25149 1
64 . 1 1 8 8 ASN HB2 H 1 2.036 0.02 . 2 . . . A 8 ASN HB2 . 25149 1
65 . 1 1 8 8 ASN HB3 H 1 1.67 0.02 . 2 . . . A 8 ASN HB3 . 25149 1
66 . 1 1 8 8 ASN HD21 H 1 6.913 0.02 . 2 . . . A 8 ASN HD21 . 25149 1
67 . 1 1 8 8 ASN HD22 H 1 6.379 0.02 . 2 . . . A 8 ASN HD21 . 25149 1
68 . 1 1 8 8 ASN C C 13 172.706 0.4 . 1 . . . A 8 ASN C . 25149 1
69 . 1 1 8 8 ASN CA C 13 51.165 0.4 . 1 . . . A 8 ASN CA . 25149 1
70 . 1 1 8 8 ASN CB C 13 40.702 0.4 . 1 . . . A 8 ASN CB . 25149 1
71 . 1 1 8 8 ASN N N 15 116.852 0.4 . 1 . . . A 8 ASN N . 25149 1
72 . 1 1 8 8 ASN ND2 N 15 111.387 0.4 . 1 . . . A 8 ASN ND2 . 25149 1
73 . 1 1 9 9 CYS H H 1 7.614 0.02 . 1 . . . A 9 CYS H . 25149 1
74 . 1 1 9 9 CYS HA H 1 3.794 0.02 . 1 . . . A 9 CYS HA . 25149 1
75 . 1 1 9 9 CYS HB2 H 1 3.392 0.02 . 2 . . . A 9 CYS HB2 . 25149 1
76 . 1 1 9 9 CYS HB3 H 1 2.11 0.02 . 2 . . . A 9 CYS HB3 . 25149 1
77 . 1 1 9 9 CYS C C 13 178.37 0.4 . 1 . . . A 9 CYS C . 25149 1
78 . 1 1 9 9 CYS CA C 13 59.552 0.4 . 1 . . . A 9 CYS CA . 25149 1
79 . 1 1 9 9 CYS CB C 13 31.526 0.4 . 1 . . . A 9 CYS CB . 25149 1
80 . 1 1 9 9 CYS N N 15 122.855 0.4 . 1 . . . A 9 CYS N . 25149 1
81 . 1 1 10 10 GLY H H 1 9.235 0.02 . 1 . . . A 10 GLY H . 25149 1
82 . 1 1 10 10 GLY HA2 H 1 3.91 0.02 . 2 . . . A 10 GLY HA2 . 25149 1
83 . 1 1 10 10 GLY HA3 H 1 3.795 0.02 . 2 . . . A 10 GLY HA3 . 25149 1
84 . 1 1 10 10 GLY C C 13 174.111 0.4 . 1 . . . A 10 GLY C . 25149 1
85 . 1 1 10 10 GLY CA C 13 46.967 0.4 . 1 . . . A 10 GLY CA . 25149 1
86 . 1 1 10 10 GLY N N 15 117.295 0.4 . 1 . . . A 10 GLY N . 25149 1
87 . 1 1 11 11 ILE H H 1 8.285 0.02 . 1 . . . A 11 ILE H . 25149 1
88 . 1 1 11 11 ILE HA H 1 3.809 0.02 . 1 . . . A 11 ILE HA . 25149 1
89 . 1 1 11 11 ILE HB H 1 1.491 0.02 . 1 . . . A 11 ILE HB . 25149 1
90 . 1 1 11 11 ILE HG12 H 1 1.067 0.02 . 2 . . . A 11 ILE HG12 . 25149 1
91 . 1 1 11 11 ILE HG13 H 1 0.146 0.02 . 2 . . . A 11 ILE HG13 . 25149 1
92 . 1 1 11 11 ILE HG21 H 1 0.789 0.02 . 1 . . . A 11 ILE HG22 . 25149 1
93 . 1 1 11 11 ILE HG22 H 1 0.789 0.02 . 1 . . . A 11 ILE HG22 . 25149 1
94 . 1 1 11 11 ILE HG23 H 1 0.789 0.02 . 1 . . . A 11 ILE HG22 . 25149 1
95 . 1 1 11 11 ILE HD11 H 1 -0.137 0.02 . 1 . . . A 11 ILE HD11 . 25149 1
96 . 1 1 11 11 ILE HD12 H 1 -0.137 0.02 . 1 . . . A 11 ILE HD11 . 25149 1
97 . 1 1 11 11 ILE HD13 H 1 -0.137 0.02 . 1 . . . A 11 ILE HD11 . 25149 1
98 . 1 1 11 11 ILE C C 13 176.121 0.4 . 1 . . . A 11 ILE C . 25149 1
99 . 1 1 11 11 ILE CA C 13 64.041 0.4 . 1 . . . A 11 ILE CA . 25149 1
100 . 1 1 11 11 ILE CB C 13 39.411 0.4 . 1 . . . A 11 ILE CB . 25149 1
101 . 1 1 11 11 ILE CG1 C 13 28.154 0.4 . 1 . . . A 11 ILE CG1 . 25149 1
102 . 1 1 11 11 ILE CG2 C 13 16.803 0.4 . 1 . . . A 11 ILE CG2 . 25149 1
103 . 1 1 11 11 ILE CD1 C 13 13.344 0.4 . 1 . . . A 11 ILE CD1 . 25149 1
104 . 1 1 11 11 ILE N N 15 119.811 0.4 . 1 . . . A 11 ILE N . 25149 1
105 . 1 1 12 12 CYS H H 1 7.607 0.02 . 1 . . . A 12 CYS H . 25149 1
106 . 1 1 12 12 CYS HA H 1 4.576 0.02 . 1 . . . A 12 CYS HA . 25149 1
107 . 1 1 12 12 CYS HB2 H 1 3.021 0.02 . 2 . . . A 12 CYS HB2 . 25149 1
108 . 1 1 12 12 CYS HB3 H 1 2.971 0.02 . 2 . . . A 12 CYS HB3 . 25149 1
109 . 1 1 12 12 CYS C C 13 175.975 0.4 . 1 . . . A 12 CYS C . 25149 1
110 . 1 1 12 12 CYS CA C 13 59.225 0.4 . 1 . . . A 12 CYS CA . 25149 1
111 . 1 1 12 12 CYS CB C 13 32.246 0.4 . 1 . . . A 12 CYS CB . 25149 1
112 . 1 1 12 12 CYS N N 15 116.728 0.4 . 1 . . . A 12 CYS N . 25149 1
113 . 1 1 13 13 ARG H H 1 7.987 0.02 . 1 . . . A 13 ARG H . 25149 1
114 . 1 1 13 13 ARG HA H 1 3.742 0.02 . 1 . . . A 13 ARG HA . 25149 1
115 . 1 1 13 13 ARG HB2 H 1 2.004 0.02 . 2 . . . A 13 ARG HB2 . 25149 1
116 . 1 1 13 13 ARG HB3 H 1 1.827 0.02 . 2 . . . A 13 ARG HB3 . 25149 1
117 . 1 1 13 13 ARG HG2 H 1 1.338 0.02 . 2 . . . A 13 ARG HG2 . 25149 1
118 . 1 1 13 13 ARG HG3 H 1 1.281 0.02 . 2 . . . A 13 ARG HG3 . 25149 1
119 . 1 1 13 13 ARG HD2 H 1 2.982 0.02 . 2 . . . A 13 ARG HD2 . 25149 1
120 . 1 1 13 13 ARG HD3 H 1 2.982 0.02 . 2 . . . A 13 ARG HD3 . 25149 1
121 . 1 1 13 13 ARG C C 13 174.979 0.4 . 1 . . . A 13 ARG C . 25149 1
122 . 1 1 13 13 ARG CA C 13 57.636 0.4 . 1 . . . A 13 ARG CA . 25149 1
123 . 1 1 13 13 ARG CB C 13 26.326 0.4 . 1 . . . A 13 ARG CB . 25149 1
124 . 1 1 13 13 ARG CG C 13 27.591 0.4 . 1 . . . A 13 ARG CG . 25149 1
125 . 1 1 13 13 ARG CD C 13 42.941 0.4 . 1 . . . A 13 ARG CD . 25149 1
126 . 1 1 13 13 ARG N N 15 116.073 0.4 . 1 . . . A 13 ARG N . 25149 1
127 . 1 1 14 14 MET H H 1 8.624 0.02 . 1 . . . A 14 MET H . 25149 1
128 . 1 1 14 14 MET HA H 1 4.547 0.02 . 1 . . . A 14 MET HA . 25149 1
129 . 1 1 14 14 MET HB2 H 1 2.35 0.02 . 2 . . . A 14 MET HB2 . 25149 1
130 . 1 1 14 14 MET HB3 H 1 2.192 0.02 . 2 . . . A 14 MET HB3 . 25149 1
131 . 1 1 14 14 MET HG2 H 1 2.467 0.02 . 2 . . . A 14 MET HG2 . 25149 1
132 . 1 1 14 14 MET HG3 H 1 2.316 0.02 . 2 . . . A 14 MET HG3 . 25149 1
133 . 1 1 14 14 MET HE1 H 1 1.916 0.02 . 1 . . . A 14 MET HE1 . 25149 1
134 . 1 1 14 14 MET HE2 H 1 1.916 0.02 . 1 . . . A 14 MET HE2 . 25149 1
135 . 1 1 14 14 MET HE3 H 1 1.916 0.02 . 1 . . . A 14 MET HE3 . 25149 1
136 . 1 1 14 14 MET C C 13 176.143 0.4 . 1 . . . A 14 MET C . 25149 1
137 . 1 1 14 14 MET CA C 13 54.208 0.4 . 1 . . . A 14 MET CA . 25149 1
138 . 1 1 14 14 MET CB C 13 33.951 0.4 . 1 . . . A 14 MET CB . 25149 1
139 . 1 1 14 14 MET CG C 13 32.566 0.4 . 1 . . . A 14 MET CG . 25149 1
140 . 1 1 14 14 MET CE C 13 17.076 0.4 . 1 . . . A 14 MET CE . 25149 1
141 . 1 1 14 14 MET N N 15 119.313 0.4 . 1 . . . A 14 MET N . 25149 1
142 . 1 1 15 15 ALA H H 1 7.965 0.02 . 1 . . . A 15 ALA H . 25149 1
143 . 1 1 15 15 ALA HA H 1 4.272 0.02 . 1 . . . A 15 ALA HA . 25149 1
144 . 1 1 15 15 ALA HB1 H 1 1.286 0.02 . 1 . . . A 15 ALA HB1 . 25149 1
145 . 1 1 15 15 ALA HB2 H 1 1.286 0.02 . 1 . . . A 15 ALA HB2 . 25149 1
146 . 1 1 15 15 ALA HB3 H 1 1.286 0.02 . 1 . . . A 15 ALA HB3 . 25149 1
147 . 1 1 15 15 ALA C C 13 180.117 0.4 . 1 . . . A 15 ALA C . 25149 1
148 . 1 1 15 15 ALA CA C 13 52.346 0.4 . 1 . . . A 15 ALA CA . 25149 1
149 . 1 1 15 15 ALA CB C 13 19.487 0.4 . 1 . . . A 15 ALA CB . 25149 1
150 . 1 1 15 15 ALA N N 15 122.683 0.4 . 1 . . . A 15 ALA N . 25149 1
151 . 1 1 16 16 PHE H H 1 8.095 0.02 . 1 . . . A 16 PHE H . 25149 1
152 . 1 1 16 16 PHE HA H 1 4.041 0.02 . 1 . . . A 16 PHE HA . 25149 1
153 . 1 1 16 16 PHE HB2 H 1 2.945 0.02 . 2 . . . A 16 PHE HB2 . 25149 1
154 . 1 1 16 16 PHE HB3 H 1 2.665 0.02 . 2 . . . A 16 PHE HB3 . 25149 1
155 . 1 1 16 16 PHE HD1 H 1 6.589 0.02 . 1 . . . A 16 PHE HD1 . 25149 1
156 . 1 1 16 16 PHE HD2 H 1 6.589 0.02 . 1 . . . A 16 PHE HD2 . 25149 1
157 . 1 1 16 16 PHE HE1 H 1 6.821 0.02 . 1 . . . A 16 PHE HE1 . 25149 1
158 . 1 1 16 16 PHE HE2 H 1 6.821 0.02 . 1 . . . A 16 PHE HE2 . 25149 1
159 . 1 1 16 16 PHE HZ H 1 6.706 0.02 . 1 . . . A 16 PHE HZ . 25149 1
160 . 1 1 16 16 PHE C C 13 176.423 0.4 . 1 . . . A 16 PHE C . 25149 1
161 . 1 1 16 16 PHE CA C 13 59.13 0.4 . 1 . . . A 16 PHE CA . 25149 1
162 . 1 1 16 16 PHE CB C 13 38.39 0.4 . 1 . . . A 16 PHE CB . 25149 1
163 . 1 1 16 16 PHE CD1 C 13 130.342 0.4 . 1 . . . A 16 PHE CD1 . 25149 1
164 . 1 1 16 16 PHE CE1 C 13 130.257 0.4 . 1 . . . A 16 PHE CE1 . 25149 1
165 . 1 1 16 16 PHE CZ C 13 129.917 0.4 . 1 . . . A 16 PHE CZ . 25149 1
166 . 1 1 16 16 PHE N N 15 119.313 0.4 . 1 . . . A 16 PHE N . 25149 1
167 . 1 1 17 17 ASN H H 1 7.823 0.02 . 1 . . . A 17 ASN H . 25149 1
168 . 1 1 17 17 ASN HA H 1 4.636 0.02 . 1 . . . A 17 ASN HA . 25149 1
169 . 1 1 17 17 ASN HB2 H 1 2.843 0.02 . 2 . . . A 17 ASN HB2 . 25149 1
170 . 1 1 17 17 ASN HB3 H 1 2.715 0.02 . 2 . . . A 17 ASN HB3 . 25149 1
171 . 1 1 17 17 ASN HD21 H 1 7.427 0.02 . 2 . . . A 17 ASN HD21 . 25149 1
172 . 1 1 17 17 ASN HD22 H 1 6.654 0.02 . 2 . . . A 17 ASN HD21 . 25149 1
173 . 1 1 17 17 ASN C C 13 175.337 0.4 . 1 . . . A 17 ASN C . 25149 1
174 . 1 1 17 17 ASN CA C 13 52.961 0.4 . 1 . . . A 17 ASN CA . 25149 1
175 . 1 1 17 17 ASN CB C 13 37.174 0.4 . 1 . . . A 17 ASN CB . 25149 1
176 . 1 1 17 17 ASN N N 15 112.313 0.4 . 1 . . . A 17 ASN N . 25149 1
177 . 1 1 17 17 ASN ND2 N 15 110.405 0.4 . 1 . . . A 17 ASN ND2 . 25149 1
178 . 1 1 18 18 GLY H H 1 7.579 0.02 . 1 . . . A 18 GLY H . 25149 1
179 . 1 1 18 18 GLY HA2 H 1 4.344 0.02 . 2 . . . A 18 GLY HA2 . 25149 1
180 . 1 1 18 18 GLY HA3 H 1 3.835 0.02 . 2 . . . A 18 GLY HA3 . 25149 1
181 . 1 1 18 18 GLY C C 13 173.759 0.4 . 1 . . . A 18 GLY C . 25149 1
182 . 1 1 18 18 GLY CA C 13 44.464 0.4 . 1 . . . A 18 GLY CA . 25149 1
183 . 1 1 18 18 GLY N N 15 107.742 0.4 . 1 . . . A 18 GLY N . 25149 1
184 . 1 1 19 19 CYS H H 1 8.198 0.02 . 1 . . . A 19 CYS H . 25149 1
185 . 1 1 19 19 CYS HA H 1 4.571 0.02 . 1 . . . A 19 CYS HA . 25149 1
186 . 1 1 19 19 CYS HB2 H 1 2.788 0.02 . 2 . . . A 19 CYS HB2 . 25149 1
187 . 1 1 19 19 CYS HB3 H 1 2.788 0.02 . 2 . . . A 19 CYS HB3 . 25149 1
188 . 1 1 19 19 CYS C C 13 174.039 0.4 . 1 . . . A 19 CYS C . 25149 1
189 . 1 1 19 19 CYS CA C 13 58.433 0.4 . 1 . . . A 19 CYS CA . 25149 1
190 . 1 1 19 19 CYS CB C 13 30.681 0.4 . 1 . . . A 19 CYS CB . 25149 1
191 . 1 1 19 19 CYS N N 15 117.05 0.4 . 1 . . . A 19 CYS N . 25149 1
192 . 1 1 20 20 CYS H H 1 8.466 0.02 . 1 . . . A 20 CYS H . 25149 1
193 . 1 1 20 20 CYS HA H 1 4.011 0.02 . 1 . . . A 20 CYS HA . 25149 1
194 . 1 1 20 20 CYS HB2 H 1 3.332 0.02 . 2 . . . A 20 CYS HB2 . 25149 1
195 . 1 1 20 20 CYS HB3 H 1 1.825 0.02 . 2 . . . A 20 CYS HB3 . 25149 1
196 . 1 1 20 20 CYS C C 13 173.736 0.4 . 1 . . . A 20 CYS C . 25149 1
197 . 1 1 20 20 CYS CA C 13 57.999 0.4 . 1 . . . A 20 CYS CA . 25149 1
198 . 1 1 20 20 CYS CB C 13 28.205 0.4 . 1 . . . A 20 CYS CB . 25149 1
199 . 1 1 20 20 CYS N N 15 123.923 0.4 . 1 . . . A 20 CYS N . 25149 1
200 . 1 1 21 21 PRO HA H 1 4.029 0.02 . 1 . . . A 21 PRO HA . 25149 1
201 . 1 1 21 21 PRO HB2 H 1 2.266 0.02 . 2 . . . A 21 PRO HB2 . 25149 1
202 . 1 1 21 21 PRO HB3 H 1 2.266 0.02 . 2 . . . A 21 PRO HB3 . 25149 1
203 . 1 1 21 21 PRO HG2 H 1 1.835 0.02 . 2 . . . A 21 PRO HG2 . 25149 1
204 . 1 1 21 21 PRO HG3 H 1 1.835 0.02 . 2 . . . A 21 PRO HG3 . 25149 1
205 . 1 1 21 21 PRO HD2 H 1 3.867 0.02 . 2 . . . A 21 PRO HD2 . 25149 1
206 . 1 1 21 21 PRO HD3 H 1 3.268 0.02 . 2 . . . A 21 PRO HD3 . 25149 1
207 . 1 1 21 21 PRO CA C 13 65.426 0.4 . 1 . . . A 21 PRO CA . 25149 1
208 . 1 1 21 21 PRO CB C 13 32.801 0.4 . 1 . . . A 21 PRO CB . 25149 1
209 . 1 1 21 21 PRO CG C 13 28.821 0.4 . 1 . . . A 21 PRO CG . 25149 1
210 . 1 1 21 21 PRO CD C 13 50.384 0.4 . 1 . . . A 21 PRO CD . 25149 1
211 . 1 1 22 22 ASP H H 1 8.395 0.02 . 1 . . . A 22 ASP H . 25149 1
212 . 1 1 22 22 ASP HA H 1 4.505 0.02 . 1 . . . A 22 ASP HA . 25149 1
213 . 1 1 22 22 ASP HB2 H 1 2.586 0.02 . 2 . . . A 22 ASP HB2 . 25149 1
214 . 1 1 22 22 ASP HB3 H 1 2.275 0.02 . 2 . . . A 22 ASP HB3 . 25149 1
215 . 1 1 22 22 ASP C C 13 176.501 0.4 . 1 . . . A 22 ASP C . 25149 1
216 . 1 1 22 22 ASP CA C 13 55.017 0.4 . 1 . . . A 22 ASP CA . 25149 1
217 . 1 1 22 22 ASP CB C 13 42.522 0.4 . 1 . . . A 22 ASP CB . 25149 1
218 . 1 1 22 22 ASP N N 15 117.053 0.4 . 1 . . . A 22 ASP N . 25149 1
219 . 1 1 23 23 CYS H H 1 7.246 0.02 . 1 . . . A 23 CYS H . 25149 1
220 . 1 1 23 23 CYS HA H 1 4.293 0.02 . 1 . . . A 23 CYS HA . 25149 1
221 . 1 1 23 23 CYS HB2 H 1 3.018 0.02 . 2 . . . A 23 CYS HB2 . 25149 1
222 . 1 1 23 23 CYS HB3 H 1 2.553 0.02 . 2 . . . A 23 CYS HB3 . 25149 1
223 . 1 1 23 23 CYS C C 13 175.214 0.4 . 1 . . . A 23 CYS C . 25149 1
224 . 1 1 23 23 CYS CA C 13 61.633 0.4 . 1 . . . A 23 CYS CA . 25149 1
225 . 1 1 23 23 CYS CB C 13 31.542 0.4 . 1 . . . A 23 CYS CB . 25149 1
226 . 1 1 23 23 CYS N N 15 123.353 0.4 . 1 . . . A 23 CYS N . 25149 1
227 . 1 1 24 24 LYS H H 1 8.173 0.02 . 1 . . . A 24 LYS H . 25149 1
228 . 1 1 24 24 LYS HA H 1 4.23 0.02 . 1 . . . A 24 LYS HA . 25149 1
229 . 1 1 24 24 LYS HB2 H 1 1.773 0.02 . 2 . . . A 24 LYS HB2 . 25149 1
230 . 1 1 24 24 LYS HB3 H 1 1.603 0.02 . 2 . . . A 24 LYS HB3 . 25149 1
231 . 1 1 24 24 LYS HG2 H 1 1.239 0.02 . 2 . . . A 24 LYS HG2 . 25149 1
232 . 1 1 24 24 LYS HG3 H 1 1.239 0.02 . 2 . . . A 24 LYS HG3 . 25149 1
233 . 1 1 24 24 LYS HD2 H 1 1.505 0.02 . 2 . . . A 24 LYS HD2 . 25149 1
234 . 1 1 24 24 LYS HD3 H 1 1.505 0.02 . 2 . . . A 24 LYS HD3 . 25149 1
235 . 1 1 24 24 LYS HE2 H 1 2.848 0.02 . 2 . . . A 24 LYS HE2 . 25149 1
236 . 1 1 24 24 LYS HE3 H 1 2.848 0.02 . 2 . . . A 24 LYS HE3 . 25149 1
237 . 1 1 24 24 LYS C C 13 177.106 0.4 . 1 . . . A 24 LYS C . 25149 1
238 . 1 1 24 24 LYS CA C 13 56.921 0.4 . 1 . . . A 24 LYS CA . 25149 1
239 . 1 1 24 24 LYS CB C 13 34.615 0.4 . 1 . . . A 24 LYS CB . 25149 1
240 . 1 1 24 24 LYS CG C 13 24.806 0.4 . 1 . . . A 24 LYS CG . 25149 1
241 . 1 1 24 24 LYS CD C 13 28.892 0.4 . 1 . . . A 24 LYS CD . 25149 1
242 . 1 1 24 24 LYS CE C 13 41.813 0.4 . 1 . . . A 24 LYS CE . 25149 1
243 . 1 1 24 24 LYS N N 15 117.539 0.4 . 1 . . . A 24 LYS N . 25149 1
244 . 1 1 25 25 VAL H H 1 7.787 0.02 . 1 . . . A 25 VAL H . 25149 1
245 . 1 1 25 25 VAL HA H 1 4.429 0.02 . 1 . . . A 25 VAL HA . 25149 1
246 . 1 1 25 25 VAL HB H 1 2.014 0.02 . 1 . . . A 25 VAL HB . 25149 1
247 . 1 1 25 25 VAL HG11 H 1 0.844 0.02 . 2 . . . A 25 VAL HG11 . 25149 1
248 . 1 1 25 25 VAL HG12 H 1 0.844 0.02 . 2 . . . A 25 VAL HG11 . 25149 1
249 . 1 1 25 25 VAL HG13 H 1 0.844 0.02 . 2 . . . A 25 VAL HG11 . 25149 1
250 . 1 1 25 25 VAL HG21 H 1 0.769 0.02 . 2 . . . A 25 VAL HG22 . 25149 1
251 . 1 1 25 25 VAL HG22 H 1 0.769 0.02 . 2 . . . A 25 VAL HG22 . 25149 1
252 . 1 1 25 25 VAL HG23 H 1 0.769 0.02 . 2 . . . A 25 VAL HG22 . 25149 1
253 . 1 1 25 25 VAL C C 13 174.027 0.4 . 1 . . . A 25 VAL C . 25149 1
254 . 1 1 25 25 VAL CA C 13 59.934 0.4 . 1 . . . A 25 VAL CA . 25149 1
255 . 1 1 25 25 VAL CB C 13 33.507 0.4 . 1 . . . A 25 VAL CB . 25149 1
256 . 1 1 25 25 VAL CG1 C 13 21.04 0.4 . 1 . . . A 25 VAL CG1 . 25149 1
257 . 1 1 25 25 VAL CG2 C 13 20.595 0.4 . 1 . . . A 25 VAL CG2 . 25149 1
258 . 1 1 25 25 VAL N N 15 120.661 0.4 . 1 . . . A 25 VAL N . 25149 1
259 . 1 1 26 26 PRO HA H 1 4.336 0.02 . 1 . . . A 26 PRO HA . 25149 1
260 . 1 1 26 26 PRO HB2 H 1 1.835 0.02 . 2 . . . A 26 PRO HB2 . 25149 1
261 . 1 1 26 26 PRO HB3 H 1 2.114 0.02 . 2 . . . A 26 PRO HB3 . 25149 1
262 . 1 1 26 26 PRO HG2 H 1 1.935 0.02 . 2 . . . A 26 PRO HG2 . 25149 1
263 . 1 1 26 26 PRO HG3 H 1 1.935 0.02 . 2 . . . A 26 PRO HG3 . 25149 1
264 . 1 1 26 26 PRO HD2 H 1 3.681 0.02 . 2 . . . A 26 PRO HD2 . 25149 1
265 . 1 1 26 26 PRO HD3 H 1 3.611 0.02 . 2 . . . A 26 PRO HD3 . 25149 1
266 . 1 1 26 26 PRO CA C 13 63.279 0.4 . 1 . . . A 26 PRO CA . 25149 1
267 . 1 1 26 26 PRO CB C 13 32.077 0.4 . 1 . . . A 26 PRO CB . 25149 1
268 . 1 1 26 26 PRO CG C 13 27.141 0.4 . 1 . . . A 26 PRO CG . 25149 1
269 . 1 1 26 26 PRO CD C 13 51.044 0.4 . 1 . . . A 26 PRO CD . 25149 1
270 . 1 1 27 27 GLY H H 1 8.569 0.02 . 1 . . . A 27 GLY H . 25149 1
271 . 1 1 27 27 GLY HA2 H 1 4.244 0.02 . 2 . . . A 27 GLY HA2 . 25149 1
272 . 1 1 27 27 GLY HA3 H 1 3.542 0.02 . 2 . . . A 27 GLY HA3 . 25149 1
273 . 1 1 27 27 GLY C C 13 175.169 0.4 . 1 . . . A 27 GLY C . 25149 1
274 . 1 1 27 27 GLY CA C 13 45.042 0.4 . 1 . . . A 27 GLY CA . 25149 1
275 . 1 1 27 27 GLY N N 15 109.926 0.4 . 1 . . . A 27 GLY N . 25149 1
276 . 1 1 28 28 ASP H H 1 8.214 0.02 . 1 . . . A 28 ASP H . 25149 1
277 . 1 1 28 28 ASP HA H 1 4.231 0.02 . 1 . . . A 28 ASP HA . 25149 1
278 . 1 1 28 28 ASP HB2 H 1 2.631 0.02 . 2 . . . A 28 ASP HB2 . 25149 1
279 . 1 1 28 28 ASP HB3 H 1 2.498 0.02 . 2 . . . A 28 ASP HB3 . 25149 1
280 . 1 1 28 28 ASP C C 13 176.602 0.4 . 1 . . . A 28 ASP C . 25149 1
281 . 1 1 28 28 ASP CA C 13 56.402 0.4 . 1 . . . A 28 ASP CA . 25149 1
282 . 1 1 28 28 ASP CB C 13 40.912 0.4 . 1 . . . A 28 ASP CB . 25149 1
283 . 1 1 28 28 ASP N N 15 122.592 0.4 . 1 . . . A 28 ASP N . 25149 1
284 . 1 1 29 29 ASP H H 1 8.271 0.02 . 1 . . . A 29 ASP H . 25149 1
285 . 1 1 29 29 ASP HA H 1 4.447 0.02 . 1 . . . A 29 ASP HA . 25149 1
286 . 1 1 29 29 ASP HB2 H 1 2.721 0.02 . 2 . . . A 29 ASP HB2 . 25149 1
287 . 1 1 29 29 ASP HB3 H 1 2.497 0.02 . 2 . . . A 29 ASP HB3 . 25149 1
288 . 1 1 29 29 ASP C C 13 175.505 0.4 . 1 . . . A 29 ASP C . 25149 1
289 . 1 1 29 29 ASP CA C 13 55.266 0.4 . 1 . . . A 29 ASP CA . 25149 1
290 . 1 1 29 29 ASP CB C 13 41.225 0.4 . 1 . . . A 29 ASP CB . 25149 1
291 . 1 1 29 29 ASP N N 15 117.5 0.4 . 1 . . . A 29 ASP N . 25149 1
292 . 1 1 30 30 CYS H H 1 7.912 0.02 . 1 . . . A 30 CYS H . 25149 1
293 . 1 1 30 30 CYS HA H 1 4.39 0.02 . 1 . . . A 30 CYS HA . 25149 1
294 . 1 1 30 30 CYS HB2 H 1 2.993 0.02 . 2 . . . A 30 CYS HB2 . 25149 1
295 . 1 1 30 30 CYS HB3 H 1 2.934 0.02 . 2 . . . A 30 CYS HB3 . 25149 1
296 . 1 1 30 30 CYS C C 13 171.755 0.4 . 1 . . . A 30 CYS C . 25149 1
297 . 1 1 30 30 CYS CA C 13 57.676 0.4 . 1 . . . A 30 CYS CA . 25149 1
298 . 1 1 30 30 CYS CB C 13 29.154 0.4 . 1 . . . A 30 CYS CB . 25149 1
299 . 1 1 30 30 CYS N N 15 124.47 0.4 . 1 . . . A 30 CYS N . 25149 1
300 . 1 1 31 31 PRO HA H 1 4.687 0.02 . 1 . . . A 31 PRO HA . 25149 1
301 . 1 1 31 31 PRO HB2 H 1 1.992 0.02 . 2 . . . A 31 PRO HB2 . 25149 1
302 . 1 1 31 31 PRO HB3 H 1 2.255 0.02 . 2 . . . A 31 PRO HB3 . 25149 1
303 . 1 1 31 31 PRO HG2 H 1 1.93 0.02 . 2 . . . A 31 PRO HG2 . 25149 1
304 . 1 1 31 31 PRO HG3 H 1 1.65 0.02 . 2 . . . A 31 PRO HG3 . 25149 1
305 . 1 1 31 31 PRO HD2 H 1 3.248 0.02 . 2 . . . A 31 PRO HD2 . 25149 1
306 . 1 1 31 31 PRO HD3 H 1 3.159 0.02 . 2 . . . A 31 PRO HD3 . 25149 1
307 . 1 1 31 31 PRO CA C 13 62.875 0.4 . 1 . . . A 31 PRO CA . 25149 1
308 . 1 1 31 31 PRO CB C 13 33.984 0.4 . 1 . . . A 31 PRO CB . 25149 1
309 . 1 1 31 31 PRO CG C 13 26.639 0.4 . 1 . . . A 31 PRO CG . 25149 1
310 . 1 1 31 31 PRO CD C 13 49.586 0.4 . 1 . . . A 31 PRO CD . 25149 1
311 . 1 1 32 32 LEU H H 1 8.58 0.02 . 1 . . . A 32 LEU H . 25149 1
312 . 1 1 32 32 LEU HA H 1 4.716 0.02 . 1 . . . A 32 LEU HA . 25149 1
313 . 1 1 32 32 LEU HB2 H 1 1.378 0.02 . 2 . . . A 32 LEU HB2 . 25149 1
314 . 1 1 32 32 LEU HB3 H 1 0.421 0.02 . 2 . . . A 32 LEU HB3 . 25149 1
315 . 1 1 32 32 LEU HG H 1 1.621 0.02 . 1 . . . A 32 LEU HG . 25149 1
316 . 1 1 32 32 LEU HD11 H 1 0.449 0.02 . 2 . . . A 32 LEU HD11 . 25149 1
317 . 1 1 32 32 LEU HD12 H 1 0.449 0.02 . 2 . . . A 32 LEU HD11 . 25149 1
318 . 1 1 32 32 LEU HD13 H 1 0.449 0.02 . 2 . . . A 32 LEU HD11 . 25149 1
319 . 1 1 32 32 LEU HD21 H 1 0.566 0.02 . 2 . . . A 32 LEU HD22 . 25149 1
320 . 1 1 32 32 LEU HD22 H 1 0.566 0.02 . 2 . . . A 32 LEU HD22 . 25149 1
321 . 1 1 32 32 LEU HD23 H 1 0.566 0.02 . 2 . . . A 32 LEU HD22 . 25149 1
322 . 1 1 32 32 LEU C C 13 176.3 0.4 . 1 . . . A 32 LEU C . 25149 1
323 . 1 1 32 32 LEU CA C 13 53.921 0.4 . 1 . . . A 32 LEU CA . 25149 1
324 . 1 1 32 32 LEU CB C 13 43.336 0.4 . 1 . . . A 32 LEU CB . 25149 1
325 . 1 1 32 32 LEU CG C 13 26.956 0.4 . 1 . . . A 32 LEU CG . 25149 1
326 . 1 1 32 32 LEU CD1 C 13 24.935 0.4 . 1 . . . A 32 LEU CD1 . 25149 1
327 . 1 1 32 32 LEU CD2 C 13 22.606 0.4 . 1 . . . A 32 LEU CD2 . 25149 1
328 . 1 1 32 32 LEU N N 15 120.023 0.4 . 1 . . . A 32 LEU N . 25149 1
329 . 1 1 33 33 VAL H H 1 8.594 0.02 . 1 . . . A 33 VAL H . 25149 1
330 . 1 1 33 33 VAL HA H 1 4.663 0.02 . 1 . . . A 33 VAL HA . 25149 1
331 . 1 1 33 33 VAL HB H 1 2.201 0.02 . 1 . . . A 33 VAL HB . 25149 1
332 . 1 1 33 33 VAL HG11 H 1 1.272 0.02 . 2 . . . A 33 VAL HG11 . 25149 1
333 . 1 1 33 33 VAL HG12 H 1 1.272 0.02 . 2 . . . A 33 VAL HG11 . 25149 1
334 . 1 1 33 33 VAL HG13 H 1 1.272 0.02 . 2 . . . A 33 VAL HG11 . 25149 1
335 . 1 1 33 33 VAL HG21 H 1 1.039 0.02 . 2 . . . A 33 VAL HG22 . 25149 1
336 . 1 1 33 33 VAL HG22 H 1 1.039 0.02 . 2 . . . A 33 VAL HG22 . 25149 1
337 . 1 1 33 33 VAL HG23 H 1 1.039 0.02 . 2 . . . A 33 VAL HG22 . 25149 1
338 . 1 1 33 33 VAL C C 13 171.374 0.4 . 1 . . . A 33 VAL C . 25149 1
339 . 1 1 33 33 VAL CA C 13 60.449 0.4 . 1 . . . A 33 VAL CA . 25149 1
340 . 1 1 33 33 VAL CB C 13 36.448 0.4 . 1 . . . A 33 VAL CB . 25149 1
341 . 1 1 33 33 VAL CG1 C 13 21.919 0.4 . 1 . . . A 33 VAL CG1 . 25149 1
342 . 1 1 33 33 VAL CG2 C 13 21.745 0.4 . 1 . . . A 33 VAL CG2 . 25149 1
343 . 1 1 33 33 VAL N N 15 116.217 0.4 . 1 . . . A 33 VAL N . 25149 1
344 . 1 1 34 34 TRP H H 1 8.756 0.02 . 1 . . . A 34 TRP H . 25149 1
345 . 1 1 34 34 TRP HA H 1 5.339 0.02 . 1 . . . A 34 TRP HA . 25149 1
346 . 1 1 34 34 TRP HB2 H 1 2.959 0.02 . 2 . . . A 34 TRP HB2 . 25149 1
347 . 1 1 34 34 TRP HB3 H 1 2.9 0.02 . 2 . . . A 34 TRP HB3 . 25149 1
348 . 1 1 34 34 TRP HD1 H 1 6.89 0.02 . 1 . . . A 34 TRP HD1 . 25149 1
349 . 1 1 34 34 TRP HE1 H 1 9.929 0.02 . 1 . . . A 34 TRP HE1 . 25149 1
350 . 1 1 34 34 TRP HE3 H 1 7.175 0.02 . 1 . . . A 34 TRP HE3 . 25149 1
351 . 1 1 34 34 TRP HZ2 H 1 7.084 0.02 . 1 . . . A 34 TRP HZ2 . 25149 1
352 . 1 1 34 34 TRP HZ3 H 1 7.441 0.02 . 1 . . . A 34 TRP HZ3 . 25149 1
353 . 1 1 34 34 TRP HH2 H 1 6.893 0.02 . 1 . . . A 34 TRP HH2 . 25149 1
354 . 1 1 34 34 TRP C C 13 176.77 0.4 . 1 . . . A 34 TRP C . 25149 1
355 . 1 1 34 34 TRP CA C 13 57.267 0.4 . 1 . . . A 34 TRP CA . 25149 1
356 . 1 1 34 34 TRP CB C 13 33.78 0.4 . 1 . . . A 34 TRP CB . 25149 1
357 . 1 1 34 34 TRP CD1 C 13 126.649 0.4 . 1 . . . A 34 TRP CD1 . 25149 1
358 . 1 1 34 34 TRP CE3 C 13 119.436 0.4 . 1 . . . A 34 TRP CE3 . 25149 1
359 . 1 1 34 34 TRP CZ2 C 13 115.258 0.4 . 1 . . . A 34 TRP CZ2 . 25149 1
360 . 1 1 34 34 TRP CZ3 C 13 121.117 0.4 . 1 . . . A 34 TRP CZ3 . 25149 1
361 . 1 1 34 34 TRP CH2 C 13 124.704 0.4 . 1 . . . A 34 TRP CH2 . 25149 1
362 . 1 1 34 34 TRP N N 15 122.711 0.4 . 1 . . . A 34 TRP N . 25149 1
363 . 1 1 34 34 TRP NE1 N 15 129.149 0.4 . 1 . . . A 34 TRP NE1 . 25149 1
364 . 1 1 35 35 GLY H H 1 8.857 0.02 . 1 . . . A 35 GLY H . 25149 1
365 . 1 1 35 35 GLY HA2 H 1 4.008 0.02 . 2 . . . A 35 GLY HA2 . 25149 1
366 . 1 1 35 35 GLY HA3 H 1 2.905 0.02 . 2 . . . A 35 GLY HA3 . 25149 1
367 . 1 1 35 35 GLY C C 13 177.397 0.4 . 1 . . . A 35 GLY C . 25149 1
368 . 1 1 35 35 GLY CA C 13 44.07 0.4 . 1 . . . A 35 GLY CA . 25149 1
369 . 1 1 35 35 GLY N N 15 107.569 0.4 . 1 . . . A 35 GLY N . 25149 1
370 . 1 1 36 36 GLN H H 1 8.338 0.02 . 1 . . . A 36 GLN H . 25149 1
371 . 1 1 36 36 GLN HA H 1 3.746 0.02 . 1 . . . A 36 GLN HA . 25149 1
372 . 1 1 36 36 GLN HB2 H 1 1.865 0.02 . 2 . . . A 36 GLN HB2 . 25149 1
373 . 1 1 36 36 GLN HB3 H 1 1.621 0.02 . 2 . . . A 36 GLN HB3 . 25149 1
374 . 1 1 36 36 GLN HG2 H 1 2.119 0.02 . 2 . . . A 36 GLN HG2 . 25149 1
375 . 1 1 36 36 GLN HG3 H 1 2.071 0.02 . 2 . . . A 36 GLN HG3 . 25149 1
376 . 1 1 36 36 GLN HE21 H 1 7.132 0.02 . 2 . . . A 36 GLN HE21 . 25149 1
377 . 1 1 36 36 GLN HE22 H 1 6.805 0.02 . 2 . . . A 36 GLN HE21 . 25149 1
378 . 1 1 36 36 GLN C C 13 176.445 0.4 . 1 . . . A 36 GLN C . 25149 1
379 . 1 1 36 36 GLN CA C 13 58.429 0.4 . 1 . . . A 36 GLN CA . 25149 1
380 . 1 1 36 36 GLN CB C 13 27.631 0.4 . 1 . . . A 36 GLN CB . 25149 1
381 . 1 1 36 36 GLN CG C 13 33.912 0.4 . 1 . . . A 36 GLN CG . 25149 1
382 . 1 1 36 36 GLN N N 15 122.723 0.4 . 1 . . . A 36 GLN N . 25149 1
383 . 1 1 36 36 GLN NE2 N 15 110.613 0.4 . 1 . . . A 36 GLN NE2 . 25149 1
384 . 1 1 37 37 CYS H H 1 7.622 0.02 . 1 . . . A 37 CYS H . 25149 1
385 . 1 1 37 37 CYS HA H 1 4.284 0.02 . 1 . . . A 37 CYS HA . 25149 1
386 . 1 1 37 37 CYS HB2 H 1 3.192 0.02 . 2 . . . A 37 CYS HB2 . 25149 1
387 . 1 1 37 37 CYS HB3 H 1 2.502 0.02 . 2 . . . A 37 CYS HB3 . 25149 1
388 . 1 1 37 37 CYS C C 13 175.281 0.4 . 1 . . . A 37 CYS C . 25149 1
389 . 1 1 37 37 CYS CA C 13 58.395 0.4 . 1 . . . A 37 CYS CA . 25149 1
390 . 1 1 37 37 CYS CB C 13 31.143 0.4 . 1 . . . A 37 CYS CB . 25149 1
391 . 1 1 37 37 CYS N N 15 115.763 0.4 . 1 . . . A 37 CYS N . 25149 1
392 . 1 1 38 38 SER H H 1 7.716 0.02 . 1 . . . A 38 SER H . 25149 1
393 . 1 1 38 38 SER HA H 1 4.004 0.02 . 1 . . . A 38 SER HA . 25149 1
394 . 1 1 38 38 SER HB2 H 1 3.834 0.02 . 2 . . . A 38 SER HB2 . 25149 1
395 . 1 1 38 38 SER HB3 H 1 3.834 0.02 . 2 . . . A 38 SER HB3 . 25149 1
396 . 1 1 38 38 SER C C 13 173.389 0.4 . 1 . . . A 38 SER C . 25149 1
397 . 1 1 38 38 SER CA C 13 62.285 0.4 . 1 . . . A 38 SER CA . 25149 1
398 . 1 1 38 38 SER N N 15 114.54 0.4 . 1 . . . A 38 SER N . 25149 1
399 . 1 1 39 39 HIS H H 1 7.829 0.02 . 1 . . . A 39 HIS H . 25149 1
400 . 1 1 39 39 HIS HA H 1 4.444 0.02 . 1 . . . A 39 HIS HA . 25149 1
401 . 1 1 39 39 HIS HB2 H 1 3.216 0.02 . 2 . . . A 39 HIS HB2 . 25149 1
402 . 1 1 39 39 HIS HB3 H 1 2.735 0.02 . 2 . . . A 39 HIS HB3 . 25149 1
403 . 1 1 39 39 HIS HD2 H 1 7.18 0.02 . 1 . . . A 39 HIS HD2 . 25149 1
404 . 1 1 39 39 HIS HE1 H 1 7.688 0.02 . 1 . . . A 39 HIS HE1 . 25149 1
405 . 1 1 39 39 HIS C C 13 172.326 0.4 . 1 . . . A 39 HIS C . 25149 1
406 . 1 1 39 39 HIS CA C 13 61.32 0.4 . 1 . . . A 39 HIS CA . 25149 1
407 . 1 1 39 39 HIS CB C 13 31.523 0.4 . 1 . . . A 39 HIS CB . 25149 1
408 . 1 1 39 39 HIS CD2 C 13 119.367 0.4 . 1 . . . A 39 HIS CD2 . 25149 1
409 . 1 1 39 39 HIS CE1 C 13 138.078 0.4 . 1 . . . A 39 HIS CE1 . 25149 1
410 . 1 1 39 39 HIS N N 15 121.947 0.4 . 1 . . . A 39 HIS N . 25149 1
411 . 1 1 40 40 CYS H H 1 8.049 0.02 . 1 . . . A 40 CYS H . 25149 1
412 . 1 1 40 40 CYS HA H 1 4.609 0.02 . 1 . . . A 40 CYS HA . 25149 1
413 . 1 1 40 40 CYS HB2 H 1 1.478 0.02 . 2 . . . A 40 CYS HB2 . 25149 1
414 . 1 1 40 40 CYS HB3 H 1 1.309 0.02 . 2 . . . A 40 CYS HB3 . 25149 1
415 . 1 1 40 40 CYS C C 13 171.9 0.4 . 1 . . . A 40 CYS C . 25149 1
416 . 1 1 40 40 CYS CA C 13 55.791 0.4 . 1 . . . A 40 CYS CA . 25149 1
417 . 1 1 40 40 CYS CB C 13 28.964 0.4 . 1 . . . A 40 CYS CB . 25149 1
418 . 1 1 40 40 CYS N N 15 121.859 0.4 . 1 . . . A 40 CYS N . 25149 1
419 . 1 1 41 41 PHE H H 1 8.368 0.02 . 1 . . . A 41 PHE H . 25149 1
420 . 1 1 41 41 PHE HA H 1 5.177 0.02 . 1 . . . A 41 PHE HA . 25149 1
421 . 1 1 41 41 PHE HB2 H 1 3.272 0.02 . 2 . . . A 41 PHE HB2 . 25149 1
422 . 1 1 41 41 PHE HB3 H 1 1.933 0.02 . 2 . . . A 41 PHE HB3 . 25149 1
423 . 1 1 41 41 PHE HD1 H 1 7.158 0.02 . 1 . . . A 41 PHE HD1 . 25149 1
424 . 1 1 41 41 PHE HD2 H 1 7.158 0.02 . 1 . . . A 41 PHE HD2 . 25149 1
425 . 1 1 41 41 PHE HE1 H 1 7.115 0.02 . 1 . . . A 41 PHE HE1 . 25149 1
426 . 1 1 41 41 PHE HE2 H 1 7.115 0.02 . 1 . . . A 41 PHE HE2 . 25149 1
427 . 1 1 41 41 PHE HZ H 1 6.911 0.02 . 1 . . . A 41 PHE HZ . 25149 1
428 . 1 1 41 41 PHE C C 13 176.613 0.4 . 1 . . . A 41 PHE C . 25149 1
429 . 1 1 41 41 PHE CA C 13 56.033 0.4 . 1 . . . A 41 PHE CA . 25149 1
430 . 1 1 41 41 PHE CB C 13 45.76 0.4 . 1 . . . A 41 PHE CB . 25149 1
431 . 1 1 41 41 PHE CD1 C 13 133.004 0.4 . 1 . . . A 41 PHE CD1 . 25149 1
432 . 1 1 41 41 PHE CE1 C 13 133.147 0.4 . 1 . . . A 41 PHE CE1 . 25149 1
433 . 1 1 41 41 PHE CZ C 13 129.172 0.4 . 1 . . . A 41 PHE CZ . 25149 1
434 . 1 1 41 41 PHE N N 15 120.69 0.4 . 1 . . . A 41 PHE N . 25149 1
435 . 1 1 42 42 HIS H H 1 8.384 0.02 . 1 . . . A 42 HIS H . 25149 1
436 . 1 1 42 42 HIS HA H 1 4.669 0.02 . 1 . . . A 42 HIS HA . 25149 1
437 . 1 1 42 42 HIS HB2 H 1 4.11 0.02 . 2 . . . A 42 HIS HB2 . 25149 1
438 . 1 1 42 42 HIS HB3 H 1 3.611 0.02 . 2 . . . A 42 HIS HB3 . 25149 1
439 . 1 1 42 42 HIS HD2 H 1 7.302 0.02 . 1 . . . A 42 HIS HD2 . 25149 1
440 . 1 1 42 42 HIS HE1 H 1 6.908 0.02 . 1 . . . A 42 HIS HE1 . 25149 1
441 . 1 1 42 42 HIS C C 13 177.464 0.4 . 1 . . . A 42 HIS C . 25149 1
442 . 1 1 42 42 HIS CA C 13 60.425 0.4 . 1 . . . A 42 HIS CA . 25149 1
443 . 1 1 42 42 HIS CB C 13 29.74 0.4 . 1 . . . A 42 HIS CB . 25149 1
444 . 1 1 42 42 HIS CD2 C 13 120.581 0.4 . 1 . . . A 42 HIS CD2 . 25149 1
445 . 1 1 42 42 HIS CE1 C 13 138.302 0.4 . 1 . . . A 42 HIS CE1 . 25149 1
446 . 1 1 42 42 HIS N N 15 117.057 0.4 . 1 . . . A 42 HIS N . 25149 1
447 . 1 1 43 43 MET H H 1 9.439 0.02 . 1 . . . A 43 MET H . 25149 1
448 . 1 1 43 43 MET HA H 1 3.965 0.02 . 1 . . . A 43 MET HA . 25149 1
449 . 1 1 43 43 MET HB2 H 1 1.801 0.02 . 2 . . . A 43 MET HB2 . 25149 1
450 . 1 1 43 43 MET HB3 H 1 1.674 0.02 . 2 . . . A 43 MET HB3 . 25149 1
451 . 1 1 43 43 MET HG2 H 1 2.398 0.02 . 2 . . . A 43 MET HG2 . 25149 1
452 . 1 1 43 43 MET HG3 H 1 2.297 0.02 . 2 . . . A 43 MET HG3 . 25149 1
453 . 1 1 43 43 MET HE1 H 1 1.926 0.02 . 1 . . . A 43 MET HE1 . 25149 1
454 . 1 1 43 43 MET HE2 H 1 1.926 0.02 . 1 . . . A 43 MET HE2 . 25149 1
455 . 1 1 43 43 MET HE3 H 1 1.926 0.02 . 1 . . . A 43 MET HE3 . 25149 1
456 . 1 1 43 43 MET C C 13 177.845 0.4 . 1 . . . A 43 MET C . 25149 1
457 . 1 1 43 43 MET CA C 13 59.209 0.4 . 1 . . . A 43 MET CA . 25149 1
458 . 1 1 43 43 MET CB C 13 33.009 0.4 . 1 . . . A 43 MET CB . 25149 1
459 . 1 1 43 43 MET CG C 13 31.839 0.4 . 1 . . . A 43 MET CG . 25149 1
460 . 1 1 43 43 MET CE C 13 17.94 0.4 . 1 . . . A 43 MET CE . 25149 1
461 . 1 1 43 43 MET N N 15 128.543 0.4 . 1 . . . A 43 MET N . 25149 1
462 . 1 1 44 44 HIS H H 1 9.747 0.02 . 1 . . . A 44 HIS H . 25149 1
463 . 1 1 44 44 HIS HA H 1 4.256 0.02 . 1 . . . A 44 HIS HA . 25149 1
464 . 1 1 44 44 HIS HB2 H 1 3.434 0.02 . 2 . . . A 44 HIS HB2 . 25149 1
465 . 1 1 44 44 HIS HB3 H 1 3.265 0.02 . 2 . . . A 44 HIS HB3 . 25149 1
466 . 1 1 44 44 HIS HD2 H 1 6.774 0.02 . 1 . . . A 44 HIS HD2 . 25149 1
467 . 1 1 44 44 HIS HE1 H 1 8.246 0.02 . 1 . . . A 44 HIS HE1 . 25149 1
468 . 1 1 44 44 HIS C C 13 178.405 0.4 . 1 . . . A 44 HIS C . 25149 1
469 . 1 1 44 44 HIS CA C 13 58.793 0.4 . 1 . . . A 44 HIS CA . 25149 1
470 . 1 1 44 44 HIS CB C 13 32.747 0.4 . 1 . . . A 44 HIS CB . 25149 1
471 . 1 1 44 44 HIS CD2 C 13 116.134 0.4 . 1 . . . A 44 HIS CD2 . 25149 1
472 . 1 1 44 44 HIS CE1 C 13 140.435 0.4 . 1 . . . A 44 HIS CE1 . 25149 1
473 . 1 1 44 44 HIS N N 15 116.5 0.4 . 1 . . . A 44 HIS N . 25149 1
474 . 1 1 45 45 CYS H H 1 6.845 0.02 . 1 . . . A 45 CYS H . 25149 1
475 . 1 1 45 45 CYS HA H 1 4 0.02 . 1 . . . A 45 CYS HA . 25149 1
476 . 1 1 45 45 CYS HB2 H 1 3.117 0.02 . 2 . . . A 45 CYS HB2 . 25149 1
477 . 1 1 45 45 CYS HB3 H 1 2.808 0.02 . 2 . . . A 45 CYS HB3 . 25149 1
478 . 1 1 45 45 CYS C C 13 177.957 0.4 . 1 . . . A 45 CYS C . 25149 1
479 . 1 1 45 45 CYS CA C 13 62.923 0.4 . 1 . . . A 45 CYS CA . 25149 1
480 . 1 1 45 45 CYS CB C 13 29.102 0.4 . 1 . . . A 45 CYS CB . 25149 1
481 . 1 1 45 45 CYS N N 15 115.95 0.4 . 1 . . . A 45 CYS N . 25149 1
482 . 1 1 46 46 ILE H H 1 7.816 0.02 . 1 . . . A 46 ILE H . 25149 1
483 . 1 1 46 46 ILE HA H 1 3.665 0.02 . 1 . . . A 46 ILE HA . 25149 1
484 . 1 1 46 46 ILE HB H 1 1.027 0.02 . 1 . . . A 46 ILE HB . 25149 1
485 . 1 1 46 46 ILE HG12 H 1 0.26 0.02 . 2 . . . A 46 ILE HG12 . 25149 1
486 . 1 1 46 46 ILE HG13 H 1 -0.178 0.02 . 2 . . . A 46 ILE HG13 . 25149 1
487 . 1 1 46 46 ILE HG21 H 1 0.895 0.02 . 1 . . . A 46 ILE HG22 . 25149 1
488 . 1 1 46 46 ILE HG22 H 1 0.895 0.02 . 1 . . . A 46 ILE HG22 . 25149 1
489 . 1 1 46 46 ILE HG23 H 1 0.895 0.02 . 1 . . . A 46 ILE HG22 . 25149 1
490 . 1 1 46 46 ILE HD11 H 1 -0.813 0.02 . 1 . . . A 46 ILE HD11 . 25149 1
491 . 1 1 46 46 ILE HD12 H 1 -0.813 0.02 . 1 . . . A 46 ILE HD11 . 25149 1
492 . 1 1 46 46 ILE HD13 H 1 -0.813 0.02 . 1 . . . A 46 ILE HD11 . 25149 1
493 . 1 1 46 46 ILE C C 13 176.613 0.4 . 1 . . . A 46 ILE C . 25149 1
494 . 1 1 46 46 ILE CA C 13 60.242 0.4 . 1 . . . A 46 ILE CA . 25149 1
495 . 1 1 46 46 ILE CB C 13 37.319 0.4 . 1 . . . A 46 ILE CB . 25149 1
496 . 1 1 46 46 ILE CG1 C 13 29.057 0.4 . 1 . . . A 46 ILE CG1 . 25149 1
497 . 1 1 46 46 ILE CG2 C 13 19.82 0.4 . 1 . . . A 46 ILE CG2 . 25149 1
498 . 1 1 46 46 ILE CD1 C 13 12.194 0.4 . 1 . . . A 46 ILE CD1 . 25149 1
499 . 1 1 46 46 ILE N N 15 119.362 0.4 . 1 . . . A 46 ILE N . 25149 1
500 . 1 1 47 47 LEU H H 1 8.266 0.02 . 1 . . . A 47 LEU H . 25149 1
501 . 1 1 47 47 LEU HA H 1 3.873 0.02 . 1 . . . A 47 LEU HA . 25149 1
502 . 1 1 47 47 LEU HB2 H 1 1.785 0.02 . 2 . . . A 47 LEU HB2 . 25149 1
503 . 1 1 47 47 LEU HB3 H 1 1.274 0.02 . 2 . . . A 47 LEU HB3 . 25149 1
504 . 1 1 47 47 LEU HG H 1 1.534 0.02 . 1 . . . A 47 LEU HG . 25149 1
505 . 1 1 47 47 LEU HD11 H 1 0.878 0.02 . 2 . . . A 47 LEU HD11 . 25149 1
506 . 1 1 47 47 LEU HD12 H 1 0.878 0.02 . 2 . . . A 47 LEU HD11 . 25149 1
507 . 1 1 47 47 LEU HD13 H 1 0.878 0.02 . 2 . . . A 47 LEU HD11 . 25149 1
508 . 1 1 47 47 LEU HD21 H 1 0.881 0.02 . 2 . . . A 47 LEU HD22 . 25149 1
509 . 1 1 47 47 LEU HD22 H 1 0.881 0.02 . 2 . . . A 47 LEU HD22 . 25149 1
510 . 1 1 47 47 LEU HD23 H 1 0.881 0.02 . 2 . . . A 47 LEU HD22 . 25149 1
511 . 1 1 47 47 LEU C C 13 179.726 0.4 . 1 . . . A 47 LEU C . 25149 1
512 . 1 1 47 47 LEU CA C 13 58.633 0.4 . 1 . . . A 47 LEU CA . 25149 1
513 . 1 1 47 47 LEU CB C 13 41.123 0.4 . 1 . . . A 47 LEU CB . 25149 1
514 . 1 1 47 47 LEU CG C 13 25.76 0.4 . 1 . . . A 47 LEU CG . 25149 1
515 . 1 1 47 47 LEU CD1 C 13 22.42 0.4 . 1 . . . A 47 LEU CD1 . 25149 1
516 . 1 1 47 47 LEU CD2 C 13 25.888 0.4 . 1 . . . A 47 LEU CD2 . 25149 1
517 . 1 1 47 47 LEU N N 15 122.18 0.4 . 1 . . . A 47 LEU N . 25149 1
518 . 1 1 48 48 LYS H H 1 7.147 0.02 . 1 . . . A 48 LYS H . 25149 1
519 . 1 1 48 48 LYS HA H 1 3.864 0.02 . 1 . . . A 48 LYS HA . 25149 1
520 . 1 1 48 48 LYS HB2 H 1 1.882 0.02 . 2 . . . A 48 LYS HB2 . 25149 1
521 . 1 1 48 48 LYS HB3 H 1 1.847 0.02 . 2 . . . A 48 LYS HB3 . 25149 1
522 . 1 1 48 48 LYS HG2 H 1 1.306 0.02 . 2 . . . A 48 LYS HG2 . 25149 1
523 . 1 1 48 48 LYS HG3 H 1 1.306 0.02 . 2 . . . A 48 LYS HG3 . 25149 1
524 . 1 1 48 48 LYS HD2 H 1 1.573 0.02 . 2 . . . A 48 LYS HD2 . 25149 1
525 . 1 1 48 48 LYS HD3 H 1 1.573 0.02 . 2 . . . A 48 LYS HD3 . 25149 1
526 . 1 1 48 48 LYS HE2 H 1 2.826 0.02 . 2 . . . A 48 LYS HE2 . 25149 1
527 . 1 1 48 48 LYS HE3 H 1 2.826 0.02 . 2 . . . A 48 LYS HE3 . 25149 1
528 . 1 1 48 48 LYS C C 13 179.423 0.4 . 1 . . . A 48 LYS C . 25149 1
529 . 1 1 48 48 LYS CA C 13 59.987 0.4 . 1 . . . A 48 LYS CA . 25149 1
530 . 1 1 48 48 LYS CB C 13 32.765 0.4 . 1 . . . A 48 LYS CB . 25149 1
531 . 1 1 48 48 LYS CG C 13 25.816 0.4 . 1 . . . A 48 LYS CG . 25149 1
532 . 1 1 48 48 LYS CD C 13 29.744 0.4 . 1 . . . A 48 LYS CD . 25149 1
533 . 1 1 48 48 LYS CE C 13 41.829 0.4 . 1 . . . A 48 LYS CE . 25149 1
534 . 1 1 48 48 LYS N N 15 118.251 0.4 . 1 . . . A 48 LYS N . 25149 1
535 . 1 1 49 49 TRP H H 1 7.709 0.02 . 1 . . . A 49 TRP H . 25149 1
536 . 1 1 49 49 TRP HA H 1 4.08 0.02 . 1 . . . A 49 TRP HA . 25149 1
537 . 1 1 49 49 TRP HB2 H 1 3.026 0.02 . 2 . . . A 49 TRP HB2 . 25149 1
538 . 1 1 49 49 TRP HB3 H 1 3.026 0.02 . 2 . . . A 49 TRP HB3 . 25149 1
539 . 1 1 49 49 TRP HD1 H 1 6.41 0.02 . 1 . . . A 49 TRP HD1 . 25149 1
540 . 1 1 49 49 TRP HE1 H 1 9.761 0.02 . 1 . . . A 49 TRP HE1 . 25149 1
541 . 1 1 49 49 TRP HE3 H 1 7.337 0.02 . 1 . . . A 49 TRP HE3 . 25149 1
542 . 1 1 49 49 TRP HZ2 H 1 7.083 0.02 . 1 . . . A 49 TRP HZ2 . 25149 1
543 . 1 1 49 49 TRP HZ3 H 1 6.956 0.02 . 1 . . . A 49 TRP HZ3 . 25149 1
544 . 1 1 49 49 TRP HH2 H 1 7.003 0.02 . 1 . . . A 49 TRP HH2 . 25149 1
545 . 1 1 49 49 TRP C C 13 178.147 0.4 . 1 . . . A 49 TRP C . 25149 1
546 . 1 1 49 49 TRP CA C 13 60.545 0.4 . 1 . . . A 49 TRP CA . 25149 1
547 . 1 1 49 49 TRP CB C 13 29.415 0.4 . 1 . . . A 49 TRP CB . 25149 1
548 . 1 1 49 49 TRP CD1 C 13 126.092 0.4 . 1 . . . A 49 TRP CD1 . 25149 1
549 . 1 1 49 49 TRP CE3 C 13 123.186 0.4 . 1 . . . A 49 TRP CE3 . 25149 1
550 . 1 1 49 49 TRP CZ2 C 13 114.267 0.4 . 1 . . . A 49 TRP CZ2 . 25149 1
551 . 1 1 49 49 TRP CZ3 C 13 122.625 0.4 . 1 . . . A 49 TRP CZ3 . 25149 1
552 . 1 1 49 49 TRP CH2 C 13 124.77 0.4 . 1 . . . A 49 TRP CH2 . 25149 1
553 . 1 1 49 49 TRP N N 15 120.745 0.4 . 1 . . . A 49 TRP N . 25149 1
554 . 1 1 49 49 TRP NE1 N 15 128.685 0.4 . 1 . . . A 49 TRP NE1 . 25149 1
555 . 1 1 50 50 LEU H H 1 8.512 0.02 . 1 . . . A 50 LEU H . 25149 1
556 . 1 1 50 50 LEU HA H 1 3.605 0.02 . 1 . . . A 50 LEU HA . 25149 1
557 . 1 1 50 50 LEU HB2 H 1 1.55 0.02 . 2 . . . A 50 LEU HB2 . 25149 1
558 . 1 1 50 50 LEU HB3 H 1 1.263 0.02 . 2 . . . A 50 LEU HB3 . 25149 1
559 . 1 1 50 50 LEU HG H 1 1.531 0.02 . 1 . . . A 50 LEU HG . 25149 1
560 . 1 1 50 50 LEU HD11 H 1 0.422 0.02 . 2 . . . A 50 LEU HD11 . 25149 1
561 . 1 1 50 50 LEU HD12 H 1 0.422 0.02 . 2 . . . A 50 LEU HD11 . 25149 1
562 . 1 1 50 50 LEU HD13 H 1 0.422 0.02 . 2 . . . A 50 LEU HD11 . 25149 1
563 . 1 1 50 50 LEU HD21 H 1 0.328 0.02 . 2 . . . A 50 LEU HD22 . 25149 1
564 . 1 1 50 50 LEU HD22 H 1 0.328 0.02 . 2 . . . A 50 LEU HD22 . 25149 1
565 . 1 1 50 50 LEU HD23 H 1 0.328 0.02 . 2 . . . A 50 LEU HD22 . 25149 1
566 . 1 1 50 50 LEU C C 13 179.658 0.4 . 1 . . . A 50 LEU C . 25149 1
567 . 1 1 50 50 LEU CA C 13 57.33 0.4 . 1 . . . A 50 LEU CA . 25149 1
568 . 1 1 50 50 LEU CB C 13 41.416 0.4 . 1 . . . A 50 LEU CB . 25149 1
569 . 1 1 50 50 LEU CG C 13 26.101 0.4 . 1 . . . A 50 LEU CG . 25149 1
570 . 1 1 50 50 LEU CD1 C 13 21.569 0.4 . 1 . . . A 50 LEU CD1 . 25149 1
571 . 1 1 50 50 LEU CD2 C 13 26.101 0.4 . 1 . . . A 50 LEU CD2 . 25149 1
572 . 1 1 50 50 LEU N N 15 117.236 0.4 . 1 . . . A 50 LEU N . 25149 1
573 . 1 1 51 51 HIS H H 1 7.713 0.02 . 1 . . . A 51 HIS H . 25149 1
574 . 1 1 51 51 HIS HA H 1 4.274 0.02 . 1 . . . A 51 HIS HA . 25149 1
575 . 1 1 51 51 HIS HB2 H 1 3.056 0.02 . 2 . . . A 51 HIS HB2 . 25149 1
576 . 1 1 51 51 HIS HB3 H 1 3.056 0.02 . 2 . . . A 51 HIS HB3 . 25149 1
577 . 1 1 51 51 HIS HD2 H 1 7.298 0.02 . 1 . . . A 51 HIS HD2 . 25149 1
578 . 1 1 51 51 HIS HE1 H 1 7.96 0.02 . 1 . . . A 51 HIS HE1 . 25149 1
579 . 1 1 51 51 HIS C C 13 175.942 0.4 . 1 . . . A 51 HIS C . 25149 1
580 . 1 1 51 51 HIS CA C 13 57.32 0.4 . 1 . . . A 51 HIS CA . 25149 1
581 . 1 1 51 51 HIS CB C 13 29.487 0.4 . 1 . . . A 51 HIS CB . 25149 1
582 . 1 1 51 51 HIS CD2 C 13 120.258 0.4 . 1 . . . A 51 HIS CD2 . 25149 1
583 . 1 1 51 51 HIS CE1 C 13 137.361 0.4 . 1 . . . A 51 HIS CE1 . 25149 1
584 . 1 1 51 51 HIS N N 15 115.65 0.4 . 1 . . . A 51 HIS N . 25149 1
585 . 1 1 52 52 ALA H H 1 7.191 0.02 . 1 . . . A 52 ALA H . 25149 1
586 . 1 1 52 52 ALA HA H 1 4.023 0.02 . 1 . . . A 52 ALA HA . 25149 1
587 . 1 1 52 52 ALA HB1 H 1 1.168 0.02 . 1 . . . A 52 ALA HB1 . 25149 1
588 . 1 1 52 52 ALA HB2 H 1 1.168 0.02 . 1 . . . A 52 ALA HB2 . 25149 1
589 . 1 1 52 52 ALA HB3 H 1 1.168 0.02 . 1 . . . A 52 ALA HB3 . 25149 1
590 . 1 1 52 52 ALA C C 13 177.834 0.4 . 1 . . . A 52 ALA C . 25149 1
591 . 1 1 52 52 ALA CA C 13 52.865 0.4 . 1 . . . A 52 ALA CA . 25149 1
592 . 1 1 52 52 ALA CB C 13 18.951 0.4 . 1 . . . A 52 ALA CB . 25149 1
593 . 1 1 52 52 ALA N N 15 119.779 0.4 . 1 . . . A 52 ALA N . 25149 1
594 . 1 1 53 53 GLN H H 1 7.317 0.02 . 1 . . . A 53 GLN H . 25149 1
595 . 1 1 53 53 GLN HA H 1 3.933 0.02 . 1 . . . A 53 GLN HA . 25149 1
596 . 1 1 53 53 GLN HB2 H 1 1.563 0.02 . 2 . . . A 53 GLN HB2 . 25149 1
597 . 1 1 53 53 GLN HB3 H 1 1.563 0.02 . 2 . . . A 53 GLN HB3 . 25149 1
598 . 1 1 53 53 GLN HG2 H 1 1.714 0.02 . 2 . . . A 53 GLN HG2 . 25149 1
599 . 1 1 53 53 GLN HG3 H 1 1.57 0.02 . 2 . . . A 53 GLN HG3 . 25149 1
600 . 1 1 53 53 GLN HE21 H 1 6.423 0.02 . 2 . . . A 53 GLN HE21 . 25149 1
601 . 1 1 53 53 GLN HE22 H 1 5.681 0.02 . 2 . . . A 53 GLN HE21 . 25149 1
602 . 1 1 53 53 GLN C C 13 175.998 0.4 . 1 . . . A 53 GLN C . 25149 1
603 . 1 1 53 53 GLN CA C 13 55.482 0.4 . 1 . . . A 53 GLN CA . 25149 1
604 . 1 1 53 53 GLN CB C 13 28.887 0.4 . 1 . . . A 53 GLN CB . 25149 1
605 . 1 1 53 53 GLN CG C 13 32.998 0.4 . 1 . . . A 53 GLN CG . 25149 1
606 . 1 1 53 53 GLN N N 15 117.047 0.4 . 1 . . . A 53 GLN N . 25149 1
607 . 1 1 53 53 GLN NE2 N 15 110.677 0.4 . 1 . . . A 53 GLN NE2 . 25149 1
608 . 1 1 54 54 GLN H H 1 7.949 0.02 . 1 . . . A 54 GLN H . 25149 1
609 . 1 1 54 54 GLN HA H 1 3.989 0.02 . 1 . . . A 54 GLN HA . 25149 1
610 . 1 1 54 54 GLN HB2 H 1 1.951 0.02 . 2 . . . A 54 GLN HB2 . 25149 1
611 . 1 1 54 54 GLN HB3 H 1 1.813 0.02 . 2 . . . A 54 GLN HB3 . 25149 1
612 . 1 1 54 54 GLN HG2 H 1 2.135 0.02 . 2 . . . A 54 GLN HG2 . 25149 1
613 . 1 1 54 54 GLN HG3 H 1 2.135 0.02 . 2 . . . A 54 GLN HG3 . 25149 1
614 . 1 1 54 54 GLN HE21 H 1 7.248 0.02 . 2 . . . A 54 GLN HE21 . 25149 1
615 . 1 1 54 54 GLN HE22 H 1 6.579 0.02 . 2 . . . A 54 GLN HE21 . 25149 1
616 . 1 1 54 54 GLN C C 13 176.3 0.4 . 1 . . . A 54 GLN C . 25149 1
617 . 1 1 54 54 GLN CA C 13 57.314 0.4 . 1 . . . A 54 GLN CA . 25149 1
618 . 1 1 54 54 GLN CB C 13 28.823 0.4 . 1 . . . A 54 GLN CB . 25149 1
619 . 1 1 54 54 GLN CG C 13 34.12 0.4 . 1 . . . A 54 GLN CG . 25149 1
620 . 1 1 54 54 GLN N N 15 118.463 0.4 . 1 . . . A 54 GLN N . 25149 1
621 . 1 1 54 54 GLN NE2 N 15 111.975 0.4 . 1 . . . A 54 GLN NE2 . 25149 1
622 . 1 1 55 55 VAL H H 1 7.801 0.02 . 1 . . . A 55 VAL H . 25149 1
623 . 1 1 55 55 VAL HA H 1 3.884 0.02 . 1 . . . A 55 VAL HA . 25149 1
624 . 1 1 55 55 VAL HB H 1 1.997 0.02 . 1 . . . A 55 VAL HB . 25149 1
625 . 1 1 55 55 VAL HG11 H 1 0.739 0.02 . 2 . . . A 55 VAL HG11 . 25149 1
626 . 1 1 55 55 VAL HG12 H 1 0.739 0.02 . 2 . . . A 55 VAL HG11 . 25149 1
627 . 1 1 55 55 VAL HG13 H 1 0.739 0.02 . 2 . . . A 55 VAL HG11 . 25149 1
628 . 1 1 55 55 VAL HG21 H 1 0.739 0.02 . 2 . . . A 55 VAL HG22 . 25149 1
629 . 1 1 55 55 VAL HG22 H 1 0.739 0.02 . 2 . . . A 55 VAL HG22 . 25149 1
630 . 1 1 55 55 VAL HG23 H 1 0.739 0.02 . 2 . . . A 55 VAL HG22 . 25149 1
631 . 1 1 55 55 VAL C C 13 175.774 0.4 . 1 . . . A 55 VAL C . 25149 1
632 . 1 1 55 55 VAL CA C 13 63.21 0.4 . 1 . . . A 55 VAL CA . 25149 1
633 . 1 1 55 55 VAL CB C 13 32.87 0.4 . 1 . . . A 55 VAL CB . 25149 1
634 . 1 1 55 55 VAL CG1 C 13 20.375 0.4 . 1 . . . A 55 VAL CG1 . 25149 1
635 . 1 1 55 55 VAL N N 15 116.755 0.4 . 1 . . . A 55 VAL N . 25149 1
636 . 1 1 56 56 GLN H H 1 8.018 0.02 . 1 . . . A 56 GLN H . 25149 1
637 . 1 1 56 56 GLN HA H 1 4.117 0.02 . 1 . . . A 56 GLN HA . 25149 1
638 . 1 1 56 56 GLN HB2 H 1 1.674 0.02 . 2 . . . A 56 GLN HB2 . 25149 1
639 . 1 1 56 56 GLN HB3 H 1 1.674 0.02 . 2 . . . A 56 GLN HB3 . 25149 1
640 . 1 1 56 56 GLN HG2 H 1 2.036 0.02 . 2 . . . A 56 GLN HG2 . 25149 1
641 . 1 1 56 56 GLN HG3 H 1 2.036 0.02 . 2 . . . A 56 GLN HG3 . 25149 1
642 . 1 1 56 56 GLN HE21 H 1 7.335 0.02 . 2 . . . A 56 GLN HE21 . 25149 1
643 . 1 1 56 56 GLN HE22 H 1 6.592 0.02 . 2 . . . A 56 GLN HE21 . 25149 1
644 . 1 1 56 56 GLN C C 13 175.236 0.4 . 1 . . . A 56 GLN C . 25149 1
645 . 1 1 56 56 GLN CA C 13 55.697 0.4 . 1 . . . A 56 GLN CA . 25149 1
646 . 1 1 56 56 GLN CB C 13 29.319 0.4 . 1 . . . A 56 GLN CB . 25149 1
647 . 1 1 56 56 GLN CG C 13 34.051 0.4 . 1 . . . A 56 GLN CG . 25149 1
648 . 1 1 56 56 GLN N N 15 120.192 0.4 . 1 . . . A 56 GLN N . 25149 1
649 . 1 1 56 56 GLN NE2 N 15 111.493 0.4 . 1 . . . A 56 GLN NE2 . 25149 1
650 . 1 1 57 57 GLN H H 1 8.471 0.02 . 1 . . . A 57 GLN H . 25149 1
651 . 1 1 57 57 GLN HA H 1 4.204 0.02 . 1 . . . A 57 GLN HA . 25149 1
652 . 1 1 57 57 GLN HB2 H 1 2.011 0.02 . 2 . . . A 57 GLN HB2 . 25149 1
653 . 1 1 57 57 GLN HB3 H 1 1.837 0.02 . 2 . . . A 57 GLN HB3 . 25149 1
654 . 1 1 57 57 GLN HG2 H 1 2.23 0.02 . 2 . . . A 57 GLN HG2 . 25149 1
655 . 1 1 57 57 GLN HG3 H 1 2.148 0.02 . 2 . . . A 57 GLN HG3 . 25149 1
656 . 1 1 57 57 GLN HE21 H 1 7.221 0.02 . 2 . . . A 57 GLN HE21 . 25149 1
657 . 1 1 57 57 GLN HE22 H 1 6.701 0.02 . 2 . . . A 57 GLN HE21 . 25149 1
658 . 1 1 57 57 GLN C C 13 175.819 0.4 . 1 . . . A 57 GLN C . 25149 1
659 . 1 1 57 57 GLN CA C 13 55.617 0.4 . 1 . . . A 57 GLN CA . 25149 1
660 . 1 1 57 57 GLN CB C 13 29.094 0.4 . 1 . . . A 57 GLN CB . 25149 1
661 . 1 1 57 57 GLN CG C 13 33.956 0.4 . 1 . . . A 57 GLN CG . 25149 1
662 . 1 1 57 57 GLN N N 15 121.276 0.4 . 1 . . . A 57 GLN N . 25149 1
663 . 1 1 57 57 GLN NE2 N 15 111.982 0.4 . 1 . . . A 57 GLN NE2 . 25149 1
664 . 1 1 58 58 HIS H H 1 8.366 0.02 . 1 . . . A 58 HIS H . 25149 1
665 . 1 1 58 58 HIS HA H 1 5.174 0.02 . 1 . . . A 58 HIS HA . 25149 1
666 . 1 1 58 58 HIS HB2 H 1 2.776 0.02 . 2 . . . A 58 HIS HB2 . 25149 1
667 . 1 1 58 58 HIS HB3 H 1 2.776 0.02 . 2 . . . A 58 HIS HB3 . 25149 1
668 . 1 1 58 58 HIS HD2 H 1 7.174 0.02 . 1 . . . A 58 HIS HD2 . 25149 1
669 . 1 1 58 58 HIS HE1 H 1 7.71 0.02 . 1 . . . A 58 HIS HE1 . 25149 1
670 . 1 1 58 58 HIS C C 13 173.636 0.4 . 1 . . . A 58 HIS C . 25149 1
671 . 1 1 58 58 HIS CA C 13 54.353 0.4 . 1 . . . A 58 HIS CA . 25149 1
672 . 1 1 58 58 HIS CB C 13 33.057 0.4 . 1 . . . A 58 HIS CB . 25149 1
673 . 1 1 58 58 HIS CD2 C 13 119.084 0.4 . 1 . . . A 58 HIS CD2 . 25149 1
674 . 1 1 58 58 HIS CE1 C 13 138.302 0.4 . 1 . . . A 58 HIS CE1 . 25149 1
675 . 1 1 58 58 HIS N N 15 120.001 0.4 . 1 . . . A 58 HIS N . 25149 1
676 . 1 1 59 59 CYS H H 1 9.035 0.02 . 1 . . . A 59 CYS H . 25149 1
677 . 1 1 59 59 CYS HA H 1 4.442 0.02 . 1 . . . A 59 CYS HA . 25149 1
678 . 1 1 59 59 CYS HB2 H 1 3.349 0.02 . 2 . . . A 59 CYS HB2 . 25149 1
679 . 1 1 59 59 CYS HB3 H 1 3.349 0.02 . 2 . . . A 59 CYS HB3 . 25149 1
680 . 1 1 59 59 CYS C C 13 176.334 0.4 . 1 . . . A 59 CYS C . 25149 1
681 . 1 1 59 59 CYS CA C 13 56.772 0.4 . 1 . . . A 59 CYS CA . 25149 1
682 . 1 1 59 59 CYS CB C 13 32.642 0.4 . 1 . . . A 59 CYS CB . 25149 1
683 . 1 1 59 59 CYS N N 15 121.924 0.4 . 1 . . . A 59 CYS N . 25149 1
684 . 1 1 60 60 PRO HA H 1 3.813 0.02 . 1 . . . A 60 PRO HA . 25149 1
685 . 1 1 60 60 PRO HB2 H 1 0.237 0.02 . 2 . . . A 60 PRO HB2 . 25149 1
686 . 1 1 60 60 PRO HB3 H 1 0.93 0.02 . 2 . . . A 60 PRO HB3 . 25149 1
687 . 1 1 60 60 PRO HG2 H 1 0.531 0.02 . 2 . . . A 60 PRO HG2 . 25149 1
688 . 1 1 60 60 PRO HG3 H 1 -0.366 0.02 . 2 . . . A 60 PRO HG3 . 25149 1
689 . 1 1 60 60 PRO HD2 H 1 3.332 0.02 . 2 . . . A 60 PRO HD2 . 25149 1
690 . 1 1 60 60 PRO HD3 H 1 2.539 0.02 . 2 . . . A 60 PRO HD3 . 25149 1
691 . 1 1 60 60 PRO CA C 13 64.661 0.4 . 1 . . . A 60 PRO CA . 25149 1
692 . 1 1 60 60 PRO CB C 13 30.659 0.4 . 1 . . . A 60 PRO CB . 25149 1
693 . 1 1 60 60 PRO CG C 13 25.793 0.4 . 1 . . . A 60 PRO CG . 25149 1
694 . 1 1 60 60 PRO CD C 13 50.062 0.4 . 1 . . . A 60 PRO CD . 25149 1
695 . 1 1 61 61 MET H H 1 9.135 0.02 . 1 . . . A 61 MET H . 25149 1
696 . 1 1 61 61 MET HA H 1 4.317 0.02 . 1 . . . A 61 MET HA . 25149 1
697 . 1 1 61 61 MET HB2 H 1 1.348 0.02 . 2 . . . A 61 MET HB2 . 25149 1
698 . 1 1 61 61 MET HB3 H 1 1.09 0.02 . 2 . . . A 61 MET HB3 . 25149 1
699 . 1 1 61 61 MET HG2 H 1 2.271 0.02 . 2 . . . A 61 MET HG2 . 25149 1
700 . 1 1 61 61 MET HG3 H 1 2.143 0.02 . 2 . . . A 61 MET HG3 . 25149 1
701 . 1 1 61 61 MET HE1 H 1 1.808 0.02 . 1 . . . A 61 MET HE1 . 25149 1
702 . 1 1 61 61 MET HE2 H 1 1.808 0.02 . 1 . . . A 61 MET HE2 . 25149 1
703 . 1 1 61 61 MET HE3 H 1 1.808 0.02 . 1 . . . A 61 MET HE3 . 25149 1
704 . 1 1 61 61 MET C C 13 177.117 0.4 . 1 . . . A 61 MET C . 25149 1
705 . 1 1 61 61 MET CA C 13 56.408 0.4 . 1 . . . A 61 MET CA . 25149 1
706 . 1 1 61 61 MET CB C 13 32.551 0.4 . 1 . . . A 61 MET CB . 25149 1
707 . 1 1 61 61 MET CG C 13 32.314 0.4 . 1 . . . A 61 MET CG . 25149 1
708 . 1 1 61 61 MET CE C 13 17.018 0.4 . 1 . . . A 61 MET CE . 25149 1
709 . 1 1 61 61 MET N N 15 117.676 0.4 . 1 . . . A 61 MET N . 25149 1
710 . 1 1 62 62 CYS H H 1 8.011 0.02 . 1 . . . A 62 CYS H . 25149 1
711 . 1 1 62 62 CYS HA H 1 4.874 0.02 . 1 . . . A 62 CYS HA . 25149 1
712 . 1 1 62 62 CYS HB2 H 1 3.368 0.02 . 2 . . . A 62 CYS HB2 . 25149 1
713 . 1 1 62 62 CYS HB3 H 1 2.777 0.02 . 2 . . . A 62 CYS HB3 . 25149 1
714 . 1 1 62 62 CYS C C 13 175.74 0.4 . 1 . . . A 62 CYS C . 25149 1
715 . 1 1 62 62 CYS CA C 13 58.273 0.4 . 1 . . . A 62 CYS CA . 25149 1
716 . 1 1 62 62 CYS CB C 13 32.776 0.4 . 1 . . . A 62 CYS CB . 25149 1
717 . 1 1 62 62 CYS N N 15 117.214 0.4 . 1 . . . A 62 CYS N . 25149 1
718 . 1 1 63 63 ARG H H 1 8.086 0.02 . 1 . . . A 63 ARG H . 25149 1
719 . 1 1 63 63 ARG HA H 1 3.925 0.02 . 1 . . . A 63 ARG HA . 25149 1
720 . 1 1 63 63 ARG HB2 H 1 1.943 0.02 . 2 . . . A 63 ARG HB2 . 25149 1
721 . 1 1 63 63 ARG HB3 H 1 1.801 0.02 . 2 . . . A 63 ARG HB3 . 25149 1
722 . 1 1 63 63 ARG HG2 H 1 1.296 0.02 . 2 . . . A 63 ARG HG2 . 25149 1
723 . 1 1 63 63 ARG HG3 H 1 1.296 0.02 . 2 . . . A 63 ARG HG3 . 25149 1
724 . 1 1 63 63 ARG HD2 H 1 2.957 0.02 . 2 . . . A 63 ARG HD2 . 25149 1
725 . 1 1 63 63 ARG HD3 H 1 2.957 0.02 . 2 . . . A 63 ARG HD3 . 25149 1
726 . 1 1 63 63 ARG C C 13 175.326 0.4 . 1 . . . A 63 ARG C . 25149 1
727 . 1 1 63 63 ARG CA C 13 58.073 0.4 . 1 . . . A 63 ARG CA . 25149 1
728 . 1 1 63 63 ARG CB C 13 27.136 0.4 . 1 . . . A 63 ARG CB . 25149 1
729 . 1 1 63 63 ARG CG C 13 27.897 0.4 . 1 . . . A 63 ARG CG . 25149 1
730 . 1 1 63 63 ARG CD C 13 43.035 0.4 . 1 . . . A 63 ARG CD . 25149 1
731 . 1 1 63 63 ARG N N 15 116.555 0.4 . 1 . . . A 63 ARG N . 25149 1
732 . 1 1 64 64 GLN H H 1 8.003 0.02 . 1 . . . A 64 GLN H . 25149 1
733 . 1 1 64 64 GLN HA H 1 4.259 0.02 . 1 . . . A 64 GLN HA . 25149 1
734 . 1 1 64 64 GLN HB2 H 1 2.056 0.02 . 2 . . . A 64 GLN HB2 . 25149 1
735 . 1 1 64 64 GLN HB3 H 1 1.953 0.02 . 2 . . . A 64 GLN HB3 . 25149 1
736 . 1 1 64 64 GLN HG2 H 1 2.533 0.02 . 2 . . . A 64 GLN HG2 . 25149 1
737 . 1 1 64 64 GLN HG3 H 1 2.341 0.02 . 2 . . . A 64 GLN HG3 . 25149 1
738 . 1 1 64 64 GLN HE21 H 1 7.611 0.02 . 2 . . . A 64 GLN HE21 . 25149 1
739 . 1 1 64 64 GLN HE22 H 1 6.839 0.02 . 2 . . . A 64 GLN HE21 . 25149 1
740 . 1 1 64 64 GLN C C 13 176.054 0.4 . 1 . . . A 64 GLN C . 25149 1
741 . 1 1 64 64 GLN CA C 13 56.316 0.4 . 1 . . . A 64 GLN CA . 25149 1
742 . 1 1 64 64 GLN CB C 13 30.083 0.4 . 1 . . . A 64 GLN CB . 25149 1
743 . 1 1 64 64 GLN CG C 13 35.392 0.4 . 1 . . . A 64 GLN CG . 25149 1
744 . 1 1 64 64 GLN N N 15 118.932 0.4 . 1 . . . A 64 GLN N . 25149 1
745 . 1 1 64 64 GLN NE2 N 15 112.76 0.4 . 1 . . . A 64 GLN NE2 . 25149 1
746 . 1 1 65 65 GLU H H 1 8.657 0.02 . 1 . . . A 65 GLU H . 25149 1
747 . 1 1 65 65 GLU HA H 1 4.003 0.02 . 1 . . . A 65 GLU HA . 25149 1
748 . 1 1 65 65 GLU HB2 H 1 1.881 0.02 . 2 . . . A 65 GLU HB2 . 25149 1
749 . 1 1 65 65 GLU HB3 H 1 1.81 0.02 . 2 . . . A 65 GLU HB3 . 25149 1
750 . 1 1 65 65 GLU HG2 H 1 2.263 0.02 . 2 . . . A 65 GLU HG2 . 25149 1
751 . 1 1 65 65 GLU HG3 H 1 2.263 0.02 . 2 . . . A 65 GLU HG3 . 25149 1
752 . 1 1 65 65 GLU C C 13 176.781 0.4 . 1 . . . A 65 GLU C . 25149 1
753 . 1 1 65 65 GLU CA C 13 57.682 0.4 . 1 . . . A 65 GLU CA . 25149 1
754 . 1 1 65 65 GLU CB C 13 29.9 0.4 . 1 . . . A 65 GLU CB . 25149 1
755 . 1 1 65 65 GLU CG C 13 36.401 0.4 . 1 . . . A 65 GLU CG . 25149 1
756 . 1 1 65 65 GLU N N 15 122.038 0.4 . 1 . . . A 65 GLU N . 25149 1
757 . 1 1 66 66 TRP H H 1 8.499 0.02 . 1 . . . A 66 TRP H . 25149 1
758 . 1 1 66 66 TRP HA H 1 4.404 0.02 . 1 . . . A 66 TRP HA . 25149 1
759 . 1 1 66 66 TRP HB2 H 1 2.681 0.02 . 2 . . . A 66 TRP HB2 . 25149 1
760 . 1 1 66 66 TRP HB3 H 1 2.548 0.02 . 2 . . . A 66 TRP HB3 . 25149 1
761 . 1 1 66 66 TRP HD1 H 1 6.441 0.02 . 1 . . . A 66 TRP HD1 . 25149 1
762 . 1 1 66 66 TRP HE1 H 1 5.827 0.02 . 1 . . . A 66 TRP HE1 . 25149 1
763 . 1 1 66 66 TRP HE3 H 1 7.206 0.02 . 1 . . . A 66 TRP HE3 . 25149 1
764 . 1 1 66 66 TRP HZ2 H 1 6.695 0.02 . 1 . . . A 66 TRP HZ2 . 25149 1
765 . 1 1 66 66 TRP HZ3 H 1 6.95 0.02 . 1 . . . A 66 TRP HZ3 . 25149 1
766 . 1 1 66 66 TRP HH2 H 1 7.08 0.02 . 1 . . . A 66 TRP HH2 . 25149 1
767 . 1 1 66 66 TRP C C 13 175.46 0.4 . 1 . . . A 66 TRP C . 25149 1
768 . 1 1 66 66 TRP CA C 13 57.625 0.4 . 1 . . . A 66 TRP CA . 25149 1
769 . 1 1 66 66 TRP CB C 13 29.358 0.4 . 1 . . . A 66 TRP CB . 25149 1
770 . 1 1 66 66 TRP CD1 C 13 126.493 0.4 . 1 . . . A 66 TRP CD1 . 25149 1
771 . 1 1 66 66 TRP CE3 C 13 119.966 0.4 . 1 . . . A 66 TRP CE3 . 25149 1
772 . 1 1 66 66 TRP CZ2 C 13 112.825 0.4 . 1 . . . A 66 TRP CZ2 . 25149 1
773 . 1 1 66 66 TRP CZ3 C 13 119.921 0.4 . 1 . . . A 66 TRP CZ3 . 25149 1
774 . 1 1 66 66 TRP CH2 C 13 124.707 0.4 . 1 . . . A 66 TRP CH2 . 25149 1
775 . 1 1 66 66 TRP N N 15 125.73 0.4 . 1 . . . A 66 TRP N . 25149 1
776 . 1 1 66 66 TRP NE1 N 15 122.571 0.4 . 1 . . . A 66 TRP NE1 . 25149 1
777 . 1 1 67 67 LYS H H 1 6.93 0.02 . 1 . . . A 67 LYS H . 25149 1
778 . 1 1 67 67 LYS HA H 1 4.018 0.02 . 1 . . . A 67 LYS HA . 25149 1
779 . 1 1 67 67 LYS HB2 H 1 1.402 0.02 . 2 . . . A 67 LYS HB2 . 25149 1
780 . 1 1 67 67 LYS HB3 H 1 1.104 0.02 . 2 . . . A 67 LYS HB3 . 25149 1
781 . 1 1 67 67 LYS HG2 H 1 1.128 0.02 . 2 . . . A 67 LYS HG2 . 25149 1
782 . 1 1 67 67 LYS HG3 H 1 1.128 0.02 . 2 . . . A 67 LYS HG3 . 25149 1
783 . 1 1 67 67 LYS HD2 H 1 1.445 0.02 . 2 . . . A 67 LYS HD2 . 25149 1
784 . 1 1 67 67 LYS HD3 H 1 1.445 0.02 . 2 . . . A 67 LYS HD3 . 25149 1
785 . 1 1 67 67 LYS HE2 H 1 2.76 0.02 . 2 . . . A 67 LYS HE2 . 25149 1
786 . 1 1 67 67 LYS HE3 H 1 2.76 0.02 . 2 . . . A 67 LYS HE3 . 25149 1
787 . 1 1 67 67 LYS C C 13 175.18 0.4 . 1 . . . A 67 LYS C . 25149 1
788 . 1 1 67 67 LYS CA C 13 54.514 0.4 . 1 . . . A 67 LYS CA . 25149 1
789 . 1 1 67 67 LYS CB C 13 36.231 0.4 . 1 . . . A 67 LYS CB . 25149 1
790 . 1 1 67 67 LYS CG C 13 25.134 0.4 . 1 . . . A 67 LYS CG . 25149 1
791 . 1 1 67 67 LYS CD C 13 29.302 0.4 . 1 . . . A 67 LYS CD . 25149 1
792 . 1 1 67 67 LYS CE C 13 42.499 0.4 . 1 . . . A 67 LYS CE . 25149 1
793 . 1 1 67 67 LYS N N 15 127.396 0.4 . 1 . . . A 67 LYS N . 25149 1
794 . 1 1 68 68 PHE H H 1 8.43 0.02 . 1 . . . A 68 PHE H . 25149 1
795 . 1 1 68 68 PHE HA H 1 4.108 0.02 . 1 . . . A 68 PHE HA . 25149 1
796 . 1 1 68 68 PHE HB2 H 1 3.184 0.02 . 2 . . . A 68 PHE HB2 . 25149 1
797 . 1 1 68 68 PHE HB3 H 1 2.798 0.02 . 2 . . . A 68 PHE HB3 . 25149 1
798 . 1 1 68 68 PHE HD1 H 1 7.618 0.02 . 1 . . . A 68 PHE HD1 . 25149 1
799 . 1 1 68 68 PHE HD2 H 1 7.618 0.02 . 1 . . . A 68 PHE HD2 . 25149 1
800 . 1 1 68 68 PHE HE1 H 1 7.489 0.02 . 1 . . . A 68 PHE HE1 . 25149 1
801 . 1 1 68 68 PHE HE2 H 1 7.489 0.02 . 1 . . . A 68 PHE HE2 . 25149 1
802 . 1 1 68 68 PHE HZ H 1 7.148 0.02 . 1 . . . A 68 PHE HZ . 25149 1
803 . 1 1 68 68 PHE C C 13 176.613 0.4 . 1 . . . A 68 PHE C . 25149 1
804 . 1 1 68 68 PHE CA C 13 59.961 0.4 . 1 . . . A 68 PHE CA . 25149 1
805 . 1 1 68 68 PHE CB C 13 39.262 0.4 . 1 . . . A 68 PHE CB . 25149 1
806 . 1 1 68 68 PHE CD1 C 13 133.212 0.4 . 1 . . . A 68 PHE CD1 . 25149 1
807 . 1 1 68 68 PHE CE1 C 13 131.54 0.4 . 1 . . . A 68 PHE CE1 . 25149 1
808 . 1 1 68 68 PHE CZ C 13 130.044 0.4 . 1 . . . A 68 PHE CZ . 25149 1
809 . 1 1 68 68 PHE N N 15 121.511 0.4 . 1 . . . A 68 PHE N . 25149 1
810 . 1 1 69 69 LYS H H 1 8.738 0.02 . 1 . . . A 69 LYS H . 25149 1
811 . 1 1 69 69 LYS HA H 1 3.995 0.02 . 1 . . . A 69 LYS HA . 25149 1
812 . 1 1 69 69 LYS HB2 H 1 1.645 0.02 . 2 . . . A 69 LYS HB2 . 25149 1
813 . 1 1 69 69 LYS HB3 H 1 1.239 0.02 . 2 . . . A 69 LYS HB3 . 25149 1
814 . 1 1 69 69 LYS HG2 H 1 1.287 0.02 . 2 . . . A 69 LYS HG2 . 25149 1
815 . 1 1 69 69 LYS HG3 H 1 1.224 0.02 . 2 . . . A 69 LYS HG3 . 25149 1
816 . 1 1 69 69 LYS HD2 H 1 1.438 0.02 . 2 . . . A 69 LYS HD2 . 25149 1
817 . 1 1 69 69 LYS HD3 H 1 1.438 0.02 . 2 . . . A 69 LYS HD3 . 25149 1
818 . 1 1 69 69 LYS HE2 H 1 2.688 0.02 . 2 . . . A 69 LYS HE2 . 25149 1
819 . 1 1 69 69 LYS HE3 H 1 2.688 0.02 . 2 . . . A 69 LYS HE3 . 25149 1
820 . 1 1 69 69 LYS C C 13 175.651 0.4 . 1 . . . A 69 LYS C . 25149 1
821 . 1 1 69 69 LYS CA C 13 57.32 0.4 . 1 . . . A 69 LYS CA . 25149 1
822 . 1 1 69 69 LYS CB C 13 33.361 0.4 . 1 . . . A 69 LYS CB . 25149 1
823 . 1 1 69 69 LYS CG C 13 25.113 0.4 . 1 . . . A 69 LYS CG . 25149 1
824 . 1 1 69 69 LYS CD C 13 29.314 0.4 . 1 . . . A 69 LYS CD . 25149 1
825 . 1 1 69 69 LYS CE C 13 41.978 0.4 . 1 . . . A 69 LYS CE . 25149 1
826 . 1 1 69 69 LYS N N 15 124.21 0.4 . 1 . . . A 69 LYS N . 25149 1
827 . 1 1 70 70 GLU H H 1 8.124 0.02 . 1 . . . A 70 GLU H . 25149 1
828 . 1 1 70 70 GLU HA H 1 4.031 0.02 . 1 . . . A 70 GLU HA . 25149 1
829 . 1 1 70 70 GLU HB2 H 1 1.916 0.02 . 2 . . . A 70 GLU HB2 . 25149 1
830 . 1 1 70 70 GLU HB3 H 1 1.737 0.02 . 2 . . . A 70 GLU HB3 . 25149 1
831 . 1 1 70 70 GLU HG2 H 1 2.067 0.02 . 2 . . . A 70 GLU HG2 . 25149 1
832 . 1 1 70 70 GLU HG3 H 1 2.067 0.02 . 2 . . . A 70 GLU HG3 . 25149 1
833 . 1 1 70 70 GLU C C 13 181.125 0.4 . 1 . . . A 70 GLU C . 25149 1
834 . 1 1 70 70 GLU CA C 13 58.093 0.4 . 1 . . . A 70 GLU CA . 25149 1
835 . 1 1 70 70 GLU CB C 13 31.183 0.4 . 1 . . . A 70 GLU CB . 25149 1
836 . 1 1 70 70 GLU CG C 13 36.828 0.4 . 1 . . . A 70 GLU CG . 25149 1
837 . 1 1 70 70 GLU N N 15 130.135 0.4 . 1 . . . A 70 GLU N . 25149 1
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