data_19165
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 19165
_Entry.Title
;
Backbone and side chain chemical shift assignments of bacterial acid-stress chaperone HdeA at pH 6
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2013-04-15
_Entry.Accession_date 2013-04-15
_Entry.Last_release_date 2013-12-12
_Entry.Original_release_date 2013-12-12
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Karin Crowhurst . A. . 19165
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
1 . 'California State University Northridge' . 19165
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 19165
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 358 19165
'15N chemical shifts' 91 19165
'1H chemical shifts' 493 19165
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 . . 2013-12-12 2013-04-15 original author . 19165
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 19165
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title '13C, 15N and 1H backbone and side chain chemical shift assignment of acid-stress bacterial chaperone HdeA at pH 6'
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'Biomol. NMR Assignments'
_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 .
_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 Karin Crowhurst . A. . 19165 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
chaperone 19165 1
'chemical shift assignment' 19165 1
'E. coli' 19165 1
HdeA 19165 1
NMR 19165 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 19165
_Assembly.ID 1
_Assembly.Name 'HdeA homodimer'
_Assembly.BMRB_code .
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass 19482
_Assembly.Enzyme_commission_number .
_Assembly.Details 'Symmetric homodimer of HdeA at pH 6'
_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 'monomer 1' 1 $HdeA A . yes native no no . . . 19165 1
2 'monomer 2' 1 $HdeA B . no native no no . . . 19165 1
stop_
loop_
_Bond.ID
_Bond.Type
_Bond.Value_order
_Bond.Assembly_atom_ID_1
_Bond.Entity_assembly_ID_1
_Bond.Entity_assembly_name_1
_Bond.Entity_ID_1
_Bond.Comp_ID_1
_Bond.Comp_index_ID_1
_Bond.Seq_ID_1
_Bond.Atom_ID_1
_Bond.Assembly_atom_ID_2
_Bond.Entity_assembly_ID_2
_Bond.Entity_assembly_name_2
_Bond.Entity_ID_2
_Bond.Comp_ID_2
_Bond.Comp_index_ID_2
_Bond.Seq_ID_2
_Bond.Atom_ID_2
_Bond.Auth_entity_assembly_ID_1
_Bond.Auth_entity_assembly_name_1
_Bond.Auth_seq_ID_1
_Bond.Auth_comp_ID_1
_Bond.Auth_atom_ID_1
_Bond.Auth_entity_assembly_ID_2
_Bond.Auth_entity_assembly_name_2
_Bond.Auth_seq_ID_2
_Bond.Auth_comp_ID_2
_Bond.Auth_atom_ID_2
_Bond.Entry_ID
_Bond.Assembly_ID
1 disulfide single . 1 . 1 CYS 18 18 SG . 1 . 1 CYS 66 66 SG . . . . . . . . . . 19165 1
2 disulfide single . 2 . 1 CYS 18 18 SG . 2 . 1 CYS 66 66 SG . . . . . . . . . . 19165 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
yes PDB 1DJ8 . . X-ray 2.0 none . 19165 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_HdeA
_Entity.Sf_category entity
_Entity.Sf_framecode HdeA
_Entity.Entry_ID 19165
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name HdeA
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
ADAQKAADNKKPVNSWTCED
FLAVDESFQPTAVGFAEALN
NKDKPEDAVLDVQGIATVTP
AIVQACTQDKQANFKDKVKG
EWDKIKKDM
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states yes
_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 89
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all disulfide bound'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 9741
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2013-12-19
loop_
_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
no PDB 1BG8 . "Hdea From Escherichia Coli" . . . . . 100.00 89 100.00 100.00 3.77e-55 . . . . 19165 1
no PDB 1DJ8 . "Crystal Structure Of E. Coli Periplasmic Protein Hdea" . . . . . 100.00 89 100.00 100.00 3.77e-55 . . . . 19165 1
no DBJ BAA01883 . "10K-L protein [Escherichia coli]" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no DBJ BAB37813 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no DBJ BAE77784 . "stress response protein acid-resistance protein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no DBJ BAG79302 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no DBJ BAI27765 . "stress response protein acid-resistance protein HdeD [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no EMBL CAP77965 . "Protein hdeA [Escherichia coli LF82]" . . . . . 100.00 110 97.75 100.00 5.76e-54 . . . . 19165 1
no EMBL CAQ33828 . "acid-resistance protein, possible chaperone, subunit of HdeA dimer, inactive form of acid-resistance protein [Escherichia coli " . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no EMBL CAR00456 . "stress response protein acid-resistance protein [Escherichia coli IAI1]" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no EMBL CAR05133 . "stress response protein acid-resistance protein [Escherichia coli S88]" . . . . . 100.00 110 97.75 100.00 5.76e-54 . . . . 19165 1
no EMBL CAR10321 . "stress response protein acid-resistance protein [Escherichia coli ED1a]" . . . . . 100.00 110 97.75 100.00 5.76e-54 . . . . 19165 1
no GB AAB18486 . "alternate name 10K-L of D11109 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no GB AAC76535 . "stress response protein acid-resistance protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no GB AAG58651 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no GB AAN44999 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no GB AAN82757 . "Protein hdeA precursor [Escherichia coli CFT073]" . . . . . 100.00 110 97.75 100.00 5.76e-54 . . . . 19165 1
no PRF 1912293A . "10K-L protein" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no REF NP_290090 . "acid-resistance protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no REF NP_312417 . "acid-resistance protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no REF NP_417967 . "stress response protein acid-resistance protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no REF NP_709292 . "acid-resistance protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no REF NP_756183 . "acid-resistance protein [Escherichia coli CFT073]" . . . . . 100.00 110 97.75 100.00 5.76e-54 . . . . 19165 1
no SP P0AES9 . "RecName: Full=Acid stress chaperone HdeA; AltName: Full=10K-S protein; Flags: Precursor" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no SP P0AET0 . "RecName: Full=Acid stress chaperone HdeA; Flags: Precursor" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
no SP P0AET1 . "RecName: Full=Acid stress chaperone HdeA; Flags: Precursor" . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1
stop_
loop_
_Entity_biological_function.Biological_function
_Entity_biological_function.Entry_ID
_Entity_biological_function.Entity_ID
'acid-stress bacterial chaperone' 19165 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 . ALA . 19165 1
2 . ASP . 19165 1
3 . ALA . 19165 1
4 . GLN . 19165 1
5 . LYS . 19165 1
6 . ALA . 19165 1
7 . ALA . 19165 1
8 . ASP . 19165 1
9 . ASN . 19165 1
10 . LYS . 19165 1
11 . LYS . 19165 1
12 . PRO . 19165 1
13 . VAL . 19165 1
14 . ASN . 19165 1
15 . SER . 19165 1
16 . TRP . 19165 1
17 . THR . 19165 1
18 . CYS . 19165 1
19 . GLU . 19165 1
20 . ASP . 19165 1
21 . PHE . 19165 1
22 . LEU . 19165 1
23 . ALA . 19165 1
24 . VAL . 19165 1
25 . ASP . 19165 1
26 . GLU . 19165 1
27 . SER . 19165 1
28 . PHE . 19165 1
29 . GLN . 19165 1
30 . PRO . 19165 1
31 . THR . 19165 1
32 . ALA . 19165 1
33 . VAL . 19165 1
34 . GLY . 19165 1
35 . PHE . 19165 1
36 . ALA . 19165 1
37 . GLU . 19165 1
38 . ALA . 19165 1
39 . LEU . 19165 1
40 . ASN . 19165 1
41 . ASN . 19165 1
42 . LYS . 19165 1
43 . ASP . 19165 1
44 . LYS . 19165 1
45 . PRO . 19165 1
46 . GLU . 19165 1
47 . ASP . 19165 1
48 . ALA . 19165 1
49 . VAL . 19165 1
50 . LEU . 19165 1
51 . ASP . 19165 1
52 . VAL . 19165 1
53 . GLN . 19165 1
54 . GLY . 19165 1
55 . ILE . 19165 1
56 . ALA . 19165 1
57 . THR . 19165 1
58 . VAL . 19165 1
59 . THR . 19165 1
60 . PRO . 19165 1
61 . ALA . 19165 1
62 . ILE . 19165 1
63 . VAL . 19165 1
64 . GLN . 19165 1
65 . ALA . 19165 1
66 . CYS . 19165 1
67 . THR . 19165 1
68 . GLN . 19165 1
69 . ASP . 19165 1
70 . LYS . 19165 1
71 . GLN . 19165 1
72 . ALA . 19165 1
73 . ASN . 19165 1
74 . PHE . 19165 1
75 . LYS . 19165 1
76 . ASP . 19165 1
77 . LYS . 19165 1
78 . VAL . 19165 1
79 . LYS . 19165 1
80 . GLY . 19165 1
81 . GLU . 19165 1
82 . TRP . 19165 1
83 . ASP . 19165 1
84 . LYS . 19165 1
85 . ILE . 19165 1
86 . LYS . 19165 1
87 . LYS . 19165 1
88 . ASP . 19165 1
89 . MET . 19165 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. ALA 1 1 19165 1
. ASP 2 2 19165 1
. ALA 3 3 19165 1
. GLN 4 4 19165 1
. LYS 5 5 19165 1
. ALA 6 6 19165 1
. ALA 7 7 19165 1
. ASP 8 8 19165 1
. ASN 9 9 19165 1
. LYS 10 10 19165 1
. LYS 11 11 19165 1
. PRO 12 12 19165 1
. VAL 13 13 19165 1
. ASN 14 14 19165 1
. SER 15 15 19165 1
. TRP 16 16 19165 1
. THR 17 17 19165 1
. CYS 18 18 19165 1
. GLU 19 19 19165 1
. ASP 20 20 19165 1
. PHE 21 21 19165 1
. LEU 22 22 19165 1
. ALA 23 23 19165 1
. VAL 24 24 19165 1
. ASP 25 25 19165 1
. GLU 26 26 19165 1
. SER 27 27 19165 1
. PHE 28 28 19165 1
. GLN 29 29 19165 1
. PRO 30 30 19165 1
. THR 31 31 19165 1
. ALA 32 32 19165 1
. VAL 33 33 19165 1
. GLY 34 34 19165 1
. PHE 35 35 19165 1
. ALA 36 36 19165 1
. GLU 37 37 19165 1
. ALA 38 38 19165 1
. LEU 39 39 19165 1
. ASN 40 40 19165 1
. ASN 41 41 19165 1
. LYS 42 42 19165 1
. ASP 43 43 19165 1
. LYS 44 44 19165 1
. PRO 45 45 19165 1
. GLU 46 46 19165 1
. ASP 47 47 19165 1
. ALA 48 48 19165 1
. VAL 49 49 19165 1
. LEU 50 50 19165 1
. ASP 51 51 19165 1
. VAL 52 52 19165 1
. GLN 53 53 19165 1
. GLY 54 54 19165 1
. ILE 55 55 19165 1
. ALA 56 56 19165 1
. THR 57 57 19165 1
. VAL 58 58 19165 1
. THR 59 59 19165 1
. PRO 60 60 19165 1
. ALA 61 61 19165 1
. ILE 62 62 19165 1
. VAL 63 63 19165 1
. GLN 64 64 19165 1
. ALA 65 65 19165 1
. CYS 66 66 19165 1
. THR 67 67 19165 1
. GLN 68 68 19165 1
. ASP 69 69 19165 1
. LYS 70 70 19165 1
. GLN 71 71 19165 1
. ALA 72 72 19165 1
. ASN 73 73 19165 1
. PHE 74 74 19165 1
. LYS 75 75 19165 1
. ASP 76 76 19165 1
. LYS 77 77 19165 1
. VAL 78 78 19165 1
. LYS 79 79 19165 1
. GLY 80 80 19165 1
. GLU 81 81 19165 1
. TRP 82 82 19165 1
. ASP 83 83 19165 1
. LYS 84 84 19165 1
. ILE 85 85 19165 1
. LYS 86 86 19165 1
. LYS 87 87 19165 1
. ASP 88 88 19165 1
. MET 89 89 19165 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 19165
_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 $HdeA . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 19165 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 19165
_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 $HdeA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET21a . . . . . . 19165 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 19165
_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 HdeA '[U-99% 13C; U-99% 15N]' . . 1 $HdeA . . 1.4 . . mM . . . . 19165 1
2 bis-tris 'natural abundance' . . . . . . 5 . . mM . . . . 19165 1
3 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 19165 1
4 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 19165 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 19165
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.05 . M 19165 1
pH 6.0 . pH 19165 1
pressure 1 . atm 19165 1
temperature 273 . K 19165 1
stop_
save_
############################
# Computer software used #
############################
save_VNMRJ
_Software.Sf_category software
_Software.Sf_framecode VNMRJ
_Software.Entry_ID 19165
_Software.ID 1
_Software.Name VNMRJ
_Software.Version 3.2
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Varian . . 19165 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 19165 1
stop_
save_
save_NMRDraw
_Software.Sf_category software
_Software.Sf_framecode NMRDraw
_Software.Entry_ID 19165
_Software.ID 2
_Software.Name NMRDraw
_Software.Version 7.5
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/NMRPipe/ 19165 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 19165 2
stop_
save_
save_NMRView
_Software.Sf_category software
_Software.Sf_framecode NMRView
_Software.Entry_ID 19165
_Software.ID 3
_Software.Name NMRView
_Software.Version 8.2.29
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Johnson, One Moon Scientific' . http://www.onemoonscientific.com/nmrviewj 19165 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 19165 3
'peak picking' 19165 3
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 19165
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Agilent
_NMR_spectrometer.Model DD2
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
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 19165
_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 Agilent DD2 . 600 . . . 19165 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 19165
_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' yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1
2 '2D 1H-13C HSQC aliphatic' yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1
3 '2D 1H-13C HSQC aromatic' yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1
4 '3D CBCA(CO)NH' yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1
5 '3D HNCACB' yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1
6 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1
7 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1
8 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1
9 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1
10 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1
11 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1
12 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1
13 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1
14 '3D CCC-TOCSY (aromatic)' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1
15 '2D HbCbCgCdHd' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1
16 '2D HbCbCgCdCeHe' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1
stop_
save_
save_NMR_spectrometer_expt
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt
_NMR_spec_expt.Entry_ID 19165
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name .
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_1
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
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 19165
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19165 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19165 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19165 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 19165
_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' . . . 19165 1
2 '2D 1H-13C HSQC aliphatic' . . . 19165 1
3 '2D 1H-13C HSQC aromatic' . . . 19165 1
4 '3D CBCA(CO)NH' . . . 19165 1
5 '3D HNCACB' . . . 19165 1
6 '3D C(CO)NH' . . . 19165 1
7 '3D H(CCO)NH' . . . 19165 1
8 '3D HCCH-TOCSY' . . . 19165 1
9 '3D HNCO' . . . 19165 1
10 '3D HNHA' . . . 19165 1
11 '3D 1H-15N NOESY' . . . 19165 1
12 '3D 1H-13C NOESY aliphatic' . . . 19165 1
13 '3D 1H-13C NOESY aromatic' . . . 19165 1
14 '3D CCC-TOCSY (aromatic)' . . . 19165 1
15 '2D HbCbCgCdHd' . . . 19165 1
16 '2D HbCbCgCdCeHe' . . . 19165 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 ALA HB1 H 1 1.5037 0.03 . 1 . . . . 1 ALA HB3 . 19165 1
2 . 1 1 1 1 ALA HB2 H 1 1.5037 0.03 . 1 . . . . 1 ALA HB3 . 19165 1
3 . 1 1 1 1 ALA HB3 H 1 1.5037 0.03 . 1 . . . . 1 ALA HB3 . 19165 1
4 . 1 1 1 1 ALA C C 13 173.5473 0.3 . 1 . . . . 1 ALA C . 19165 1
5 . 1 1 1 1 ALA CA C 13 51.7949 0.3 . 1 . . . . 1 ALA CA . 19165 1
6 . 1 1 1 1 ALA CB C 13 19.3296 0.3 . 1 . . . . 1 ALA CB . 19165 1
7 . 1 1 2 2 ASP H H 1 8.6570 0.03 . 1 . . . . 2 ASP HN . 19165 1
8 . 1 1 2 2 ASP HA H 1 4.6145 0.03 . 1 . . . . 2 ASP HA . 19165 1
9 . 1 1 2 2 ASP HB2 H 1 2.7204 0.03 . 2 . . . . 2 ASP HB2 . 19165 1
10 . 1 1 2 2 ASP HB3 H 1 2.5501 0.03 . 2 . . . . 2 ASP HB3 . 19165 1
11 . 1 1 2 2 ASP C C 13 175.8470 0.3 . 1 . . . . 2 ASP C . 19165 1
12 . 1 1 2 2 ASP CA C 13 54.3818 0.3 . 1 . . . . 2 ASP CA . 19165 1
13 . 1 1 2 2 ASP CB C 13 41.4009 0.3 . 1 . . . . 2 ASP CB . 19165 1
14 . 1 1 2 2 ASP N N 15 120.9254 0.2 . 1 . . . . 2 ASP N . 19165 1
15 . 1 1 3 3 ALA H H 1 8.4704 0.03 . 1 . . . . 3 ALA HN . 19165 1
16 . 1 1 3 3 ALA HA H 1 4.2608 0.03 . 1 . . . . 3 ALA HA . 19165 1
17 . 1 1 3 3 ALA HB1 H 1 1.3723 0.03 . 1 . . . . 3 ALA HB3 . 19165 1
18 . 1 1 3 3 ALA HB2 H 1 1.3723 0.03 . 1 . . . . 3 ALA HB3 . 19165 1
19 . 1 1 3 3 ALA HB3 H 1 1.3723 0.03 . 1 . . . . 3 ALA HB3 . 19165 1
20 . 1 1 3 3 ALA C C 13 177.7396 0.3 . 1 . . . . 3 ALA C . 19165 1
21 . 1 1 3 3 ALA CA C 13 52.7309 0.3 . 1 . . . . 3 ALA CA . 19165 1
22 . 1 1 3 3 ALA CB C 13 19.1490 0.3 . 1 . . . . 3 ALA CB . 19165 1
23 . 1 1 3 3 ALA N N 15 124.9513 0.2 . 1 . . . . 3 ALA N . 19165 1
24 . 1 1 4 4 GLN H H 1 8.3873 0.03 . 1 . . . . 4 GLN HN . 19165 1
25 . 1 1 4 4 GLN HA H 1 4.2546 0.03 . 1 . . . . 4 GLN HA . 19165 1
26 . 1 1 4 4 GLN HB3 H 1 2.3437 0.03 . 2 . . . . 4 GLN HB3 . 19165 1
27 . 1 1 4 4 GLN HG2 H 1 2.0208 0.03 . 2 . . . . 4 GLN HG2 . 19165 1
28 . 1 1 4 4 GLN HE21 H 1 6.8412 0.03 . 2 . . . . 4 GLN HE21 . 19165 1
29 . 1 1 4 4 GLN HE22 H 1 7.5679 0.03 . 2 . . . . 4 GLN HE22 . 19165 1
30 . 1 1 4 4 GLN C C 13 176.0130 0.3 . 1 . . . . 4 GLN C . 19165 1
31 . 1 1 4 4 GLN CA C 13 55.9877 0.3 . 1 . . . . 4 GLN CA . 19165 1
32 . 1 1 4 4 GLN CB C 13 29.4025 0.3 . 1 . . . . 4 GLN CB . 19165 1
33 . 1 1 4 4 GLN CG C 13 33.9161 0.3 . 1 . . . . 4 GLN CG . 19165 1
34 . 1 1 4 4 GLN CD C 13 180.5178 0.3 . 1 . . . . 4 GLN CD . 19165 1
35 . 1 1 4 4 GLN N N 15 119.4570 0.2 . 1 . . . . 4 GLN N . 19165 1
36 . 1 1 4 4 GLN NE2 N 15 112.6736 0.2 . 1 . . . . 4 GLN NE2 . 19165 1
37 . 1 1 5 5 LYS H H 1 8.2766 0.03 . 1 . . . . 5 LYS HN . 19165 1
38 . 1 1 5 5 LYS HA H 1 4.2701 0.03 . 1 . . . . 5 LYS HA . 19165 1
39 . 1 1 5 5 LYS HB3 H 1 1.8055 0.03 . 2 . . . . 5 LYS HB3 . 19165 1
40 . 1 1 5 5 LYS HG2 H 1 1.4095 0.03 . 2 . . . . 5 LYS HG1 . 19165 1
41 . 1 1 5 5 LYS HD2 H 1 1.6813 0.03 . 2 . . . . 5 LYS HD2 . 19165 1
42 . 1 1 5 5 LYS HE2 H 1 2.9774 0.03 . 2 . . . . 5 LYS HE1 . 19165 1
43 . 1 1 5 5 LYS C C 13 176.2546 0.3 . 1 . . . . 5 LYS C . 19165 1
44 . 1 1 5 5 LYS CA C 13 56.1916 0.3 . 1 . . . . 5 LYS CA . 19165 1
45 . 1 1 5 5 LYS CB C 13 33.1062 0.3 . 1 . . . . 5 LYS CB . 19165 1
46 . 1 1 5 5 LYS CG C 13 24.5081 0.3 . 1 . . . . 5 LYS CG . 19165 1
47 . 1 1 5 5 LYS CD C 13 28.9850 0.3 . 1 . . . . 5 LYS CD . 19165 1
48 . 1 1 5 5 LYS CE C 13 42.2091 0.3 . 1 . . . . 5 LYS CE . 19165 1
49 . 1 1 5 5 LYS N N 15 122.8539 0.2 . 1 . . . . 5 LYS N . 19165 1
50 . 1 1 6 6 ALA H H 1 8.3228 0.03 . 1 . . . . 6 ALA HN . 19165 1
51 . 1 1 6 6 ALA HA H 1 4.2460 0.03 . 1 . . . . 6 ALA HA . 19165 1
52 . 1 1 6 6 ALA HB1 H 1 1.3486 0.03 . 1 . . . . 6 ALA HB3 . 19165 1
53 . 1 1 6 6 ALA HB2 H 1 1.3486 0.03 . 1 . . . . 6 ALA HB3 . 19165 1
54 . 1 1 6 6 ALA HB3 H 1 1.3486 0.03 . 1 . . . . 6 ALA HB3 . 19165 1
55 . 1 1 6 6 ALA C C 13 177.4873 0.3 . 1 . . . . 6 ALA C . 19165 1
56 . 1 1 6 6 ALA CA C 13 52.4657 0.3 . 1 . . . . 6 ALA CA . 19165 1
57 . 1 1 6 6 ALA CB C 13 19.3021 0.3 . 1 . . . . 6 ALA CB . 19165 1
58 . 1 1 6 6 ALA N N 15 125.7029 0.2 . 1 . . . . 6 ALA N . 19165 1
59 . 1 1 7 7 ALA H H 1 8.2610 0.03 . 1 . . . . 7 ALA HN . 19165 1
60 . 1 1 7 7 ALA HA H 1 4.2084 0.03 . 1 . . . . 7 ALA HA . 19165 1
61 . 1 1 7 7 ALA HB1 H 1 1.3254 0.03 . 1 . . . . 7 ALA HB3 . 19165 1
62 . 1 1 7 7 ALA HB2 H 1 1.3254 0.03 . 1 . . . . 7 ALA HB3 . 19165 1
63 . 1 1 7 7 ALA HB3 H 1 1.3254 0.03 . 1 . . . . 7 ALA HB3 . 19165 1
64 . 1 1 7 7 ALA C C 13 177.4178 0.3 . 1 . . . . 7 ALA C . 19165 1
65 . 1 1 7 7 ALA CA C 13 52.4340 0.3 . 1 . . . . 7 ALA CA . 19165 1
66 . 1 1 7 7 ALA CB C 13 19.2576 0.3 . 1 . . . . 7 ALA CB . 19165 1
67 . 1 1 7 7 ALA N N 15 123.1871 0.2 . 1 . . . . 7 ALA N . 19165 1
68 . 1 1 8 8 ASP H H 1 8.2230 0.03 . 1 . . . . 8 ASP HN . 19165 1
69 . 1 1 8 8 ASP HA H 1 4.5477 0.03 . 1 . . . . 8 ASP HA . 19165 1
70 . 1 1 8 8 ASP HB3 H 1 2.6270 0.03 . 2 . . . . 8 ASP HB3 . 19165 1
71 . 1 1 8 8 ASP C C 13 175.8388 0.3 . 1 . . . . 8 ASP C . 19165 1
72 . 1 1 8 8 ASP CA C 13 54.1728 0.3 . 1 . . . . 8 ASP CA . 19165 1
73 . 1 1 8 8 ASP CB C 13 41.2657 0.3 . 1 . . . . 8 ASP CB . 19165 1
74 . 1 1 8 8 ASP N N 15 119.7815 0.2 . 1 . . . . 8 ASP N . 19165 1
75 . 1 1 9 9 ASN H H 1 8.2985 0.03 . 1 . . . . 9 ASN HN . 19165 1
76 . 1 1 9 9 ASN HA H 1 4.6310 0.03 . 1 . . . . 9 ASN HA . 19165 1
77 . 1 1 9 9 ASN HB2 H 1 2.8346 0.03 . 2 . . . . 9 ASN HB2 . 19165 1
78 . 1 1 9 9 ASN HB3 H 1 2.7825 0.03 . 2 . . . . 9 ASN HB3 . 19165 1
79 . 1 1 9 9 ASN HD21 H 1 6.3475 0.03 . 2 . . . . 9 ASN HD21 . 19165 1
80 . 1 1 9 9 ASN HD22 H 1 7.2885 0.03 . 2 . . . . 9 ASN HD22 . 19165 1
81 . 1 1 9 9 ASN C C 13 175.3615 0.3 . 1 . . . . 9 ASN C . 19165 1
82 . 1 1 9 9 ASN CA C 13 53.3774 0.3 . 1 . . . . 9 ASN CA . 19165 1
83 . 1 1 9 9 ASN CB C 13 38.5193 0.3 . 1 . . . . 9 ASN CB . 19165 1
84 . 1 1 9 9 ASN CG C 13 176.8274 0.3 . 1 . . . . 9 ASN CG . 19165 1
85 . 1 1 9 9 ASN N N 15 119.5327 0.2 . 1 . . . . 9 ASN N . 19165 1
86 . 1 1 9 9 ASN ND2 N 15 110.7380 0.2 . 1 . . . . 9 ASN ND2 . 19165 1
87 . 1 1 10 10 LYS H H 1 8.4405 0.03 . 1 . . . . 10 LYS HN . 19165 1
88 . 1 1 10 10 LYS HA H 1 4.3797 0.03 . 1 . . . . 10 LYS HA . 19165 1
89 . 1 1 10 10 LYS HB3 H 1 1.9185 0.03 . 2 . . . . 10 LYS HB3 . 19165 1
90 . 1 1 10 10 LYS HG2 H 1 1.6985 0.03 . 2 . . . . 10 LYS HG1 . 19165 1
91 . 1 1 10 10 LYS HD2 H 1 1.5054 0.03 . 2 . . . . 10 LYS HD2 . 19165 1
92 . 1 1 10 10 LYS HE2 H 1 2.9990 0.03 . 2 . . . . 10 LYS HE1 . 19165 1
93 . 1 1 10 10 LYS C C 13 175.6432 0.3 . 1 . . . . 10 LYS C . 19165 1
94 . 1 1 10 10 LYS CA C 13 55.7761 0.3 . 1 . . . . 10 LYS CA . 19165 1
95 . 1 1 10 10 LYS CB C 13 32.5364 0.3 . 1 . . . . 10 LYS CB . 19165 1
96 . 1 1 10 10 LYS CG C 13 24.8249 0.3 . 1 . . . . 10 LYS CG . 19165 1
97 . 1 1 10 10 LYS CD C 13 28.8627 0.3 . 1 . . . . 10 LYS CD . 19165 1
98 . 1 1 10 10 LYS CE C 13 42.2999 0.3 . 1 . . . . 10 LYS CE . 19165 1
99 . 1 1 10 10 LYS N N 15 122.0470 0.2 . 1 . . . . 10 LYS N . 19165 1
100 . 1 1 11 11 LYS H H 1 8.2320 0.03 . 1 . . . . 11 LYS HN . 19165 1
101 . 1 1 11 11 LYS HA H 1 4.6601 0.03 . 1 . . . . 11 LYS HA . 19165 1
102 . 1 1 11 11 LYS HB3 H 1 1.8730 0.03 . 2 . . . . 11 LYS HB3 . 19165 1
103 . 1 1 11 11 LYS HE2 H 1 2.9384 0.03 . 2 . . . . 11 LYS HE1 . 19165 1
104 . 1 1 11 11 LYS CA C 13 54.5130 0.3 . 1 . . . . 11 LYS CA . 19165 1
105 . 1 1 11 11 LYS CB C 13 33.8084 0.3 . 1 . . . . 11 LYS CB . 19165 1
106 . 1 1 11 11 LYS N N 15 123.0251 0.2 . 1 . . . . 11 LYS N . 19165 1
107 . 1 1 12 12 PRO HA H 1 4.2873 0.03 . 1 . . . . 12 PRO HA . 19165 1
108 . 1 1 12 12 PRO HB3 H 1 2.2089 0.03 . 2 . . . . 12 PRO HB3 . 19165 1
109 . 1 1 12 12 PRO HG2 H 1 1.9244 0.03 . 2 . . . . 12 PRO HG1 . 19165 1
110 . 1 1 12 12 PRO HD2 H 1 4.0586 0.03 . 2 . . . . 12 PRO HD2 . 19165 1
111 . 1 1 12 12 PRO HD3 H 1 3.6773 0.03 . 2 . . . . 12 PRO HD3 . 19165 1
112 . 1 1 12 12 PRO C C 13 177.9578 0.3 . 1 . . . . 12 PRO C . 19165 1
113 . 1 1 12 12 PRO CA C 13 63.7318 0.3 . 1 . . . . 12 PRO CA . 19165 1
114 . 1 1 12 12 PRO CB C 13 32.9579 0.3 . 1 . . . . 12 PRO CB . 19165 1
115 . 1 1 12 12 PRO CG C 13 28.0479 0.3 . 1 . . . . 12 PRO CG . 19165 1
116 . 1 1 12 12 PRO CD C 13 51.3496 0.3 . 1 . . . . 12 PRO CD . 19165 1
117 . 1 1 13 13 VAL H H 1 7.5368 0.03 . 1 . . . . 13 VAL HN . 19165 1
118 . 1 1 13 13 VAL HA H 1 2.0864 0.03 . 1 . . . . 13 VAL HA . 19165 1
119 . 1 1 13 13 VAL HB H 1 1.5306 0.03 . 1 . . . . 13 VAL HB . 19165 1
120 . 1 1 13 13 VAL HG11 H 1 0.5770 0.03 . 2 . . . . 13 VAL HG11 . 19165 1
121 . 1 1 13 13 VAL HG12 H 1 0.5770 0.03 . 2 . . . . 13 VAL HG11 . 19165 1
122 . 1 1 13 13 VAL HG13 H 1 0.5770 0.03 . 2 . . . . 13 VAL HG11 . 19165 1
123 . 1 1 13 13 VAL HG21 H 1 0.1705 0.03 . 2 . . . . 13 VAL HG21 . 19165 1
124 . 1 1 13 13 VAL HG22 H 1 0.1705 0.03 . 2 . . . . 13 VAL HG21 . 19165 1
125 . 1 1 13 13 VAL HG23 H 1 0.1705 0.03 . 2 . . . . 13 VAL HG21 . 19165 1
126 . 1 1 13 13 VAL C C 13 178.1517 0.3 . 1 . . . . 13 VAL C . 19165 1
127 . 1 1 13 13 VAL CA C 13 65.2985 0.3 . 1 . . . . 13 VAL CA . 19165 1
128 . 1 1 13 13 VAL CB C 13 31.1648 0.3 . 1 . . . . 13 VAL CB . 19165 1
129 . 1 1 13 13 VAL CG1 C 13 20.3596 0.3 . 2 . . . . 13 VAL CG1 . 19165 1
130 . 1 1 13 13 VAL CG2 C 13 23.7380 0.3 . 2 . . . . 13 VAL CG2 . 19165 1
131 . 1 1 13 13 VAL N N 15 125.5822 0.2 . 1 . . . . 13 VAL N . 19165 1
132 . 1 1 14 14 ASN H H 1 10.1644 0.03 . 1 . . . . 14 ASN HN . 19165 1
133 . 1 1 14 14 ASN HA H 1 4.5120 0.03 . 1 . . . . 14 ASN HA . 19165 1
134 . 1 1 14 14 ASN HB2 H 1 2.8537 0.03 . 2 . . . . 14 ASN HB2 . 19165 1
135 . 1 1 14 14 ASN HB3 H 1 2.8148 0.03 . 2 . . . . 14 ASN HB3 . 19165 1
136 . 1 1 14 14 ASN HD21 H 1 7.1512 0.03 . 2 . . . . 14 ASN HD21 . 19165 1
137 . 1 1 14 14 ASN HD22 H 1 7.3133 0.03 . 2 . . . . 14 ASN HD22 . 19165 1
138 . 1 1 14 14 ASN C C 13 176.3708 0.3 . 1 . . . . 14 ASN C . 19165 1
139 . 1 1 14 14 ASN CA C 13 55.3000 0.3 . 1 . . . . 14 ASN CA . 19165 1
140 . 1 1 14 14 ASN CB C 13 37.7357 0.3 . 1 . . . . 14 ASN CB . 19165 1
141 . 1 1 14 14 ASN CG C 13 175.5500 0.3 . 1 . . . . 14 ASN CG . 19165 1
142 . 1 1 14 14 ASN N N 15 121.7144 0.2 . 1 . . . . 14 ASN N . 19165 1
143 . 1 1 14 14 ASN ND2 N 15 108.1201 0.2 . 1 . . . . 14 ASN ND2 . 19165 1
144 . 1 1 15 15 SER H H 1 8.3838 0.03 . 1 . . . . 15 SER HN . 19165 1
145 . 1 1 15 15 SER HA H 1 4.7898 0.03 . 1 . . . . 15 SER HA . 19165 1
146 . 1 1 15 15 SER HB2 H 1 4.1588 0.03 . 2 . . . . 15 SER HB2 . 19165 1
147 . 1 1 15 15 SER HB3 H 1 4.1206 0.03 . 2 . . . . 15 SER HB3 . 19165 1
148 . 1 1 15 15 SER C C 13 174.6575 0.3 . 1 . . . . 15 SER C . 19165 1
149 . 1 1 15 15 SER CA C 13 58.4316 0.3 . 1 . . . . 15 SER CA . 19165 1
150 . 1 1 15 15 SER CB C 13 64.8447 0.3 . 1 . . . . 15 SER CB . 19165 1
151 . 1 1 15 15 SER N N 15 113.7837 0.2 . 1 . . . . 15 SER N . 19165 1
152 . 1 1 16 16 TRP H H 1 8.2139 0.03 . 1 . . . . 16 TRP HN . 19165 1
153 . 1 1 16 16 TRP HA H 1 5.1051 0.03 . 1 . . . . 16 TRP HA . 19165 1
154 . 1 1 16 16 TRP HB2 H 1 3.7517 0.03 . 2 . . . . 16 TRP HB2 . 19165 1
155 . 1 1 16 16 TRP HB3 H 1 3.5310 0.03 . 2 . . . . 16 TRP HB3 . 19165 1
156 . 1 1 16 16 TRP HD1 H 1 6.7740 0.03 . 1 . . . . 16 TRP HD1 . 19165 1
157 . 1 1 16 16 TRP HE1 H 1 9.4493 0.03 . 1 . . . . 16 TRP HE1 . 19165 1
158 . 1 1 16 16 TRP HE3 H 1 6.6907 0.03 . 1 . . . . 16 TRP HE3 . 19165 1
159 . 1 1 16 16 TRP HZ2 H 1 7.6491 0.03 . 1 . . . . 16 TRP HZ2 . 19165 1
160 . 1 1 16 16 TRP HZ3 H 1 6.5756 0.03 . 1 . . . . 16 TRP HZ3 . 19165 1
161 . 1 1 16 16 TRP HH2 H 1 6.9315 0.03 . 1 . . . . 16 TRP HH2 . 19165 1
162 . 1 1 16 16 TRP C C 13 179.3377 0.3 . 1 . . . . 16 TRP C . 19165 1
163 . 1 1 16 16 TRP CA C 13 57.0292 0.3 . 1 . . . . 16 TRP CA . 19165 1
164 . 1 1 16 16 TRP CB C 13 30.3454 0.3 . 1 . . . . 16 TRP CB . 19165 1
165 . 1 1 16 16 TRP CD1 C 13 124.7473 0.3 . 1 . . . . 16 TRP CD1 . 19165 1
166 . 1 1 16 16 TRP CE3 C 13 119.3391 0.3 . 1 . . . . 16 TRP CE3 . 19165 1
167 . 1 1 16 16 TRP CZ2 C 13 115.0443 0.3 . 1 . . . . 16 TRP CZ2 . 19165 1
168 . 1 1 16 16 TRP CZ3 C 13 120.2529 0.3 . 1 . . . . 16 TRP CZ3 . 19165 1
169 . 1 1 16 16 TRP CH2 C 13 124.3109 0.3 . 1 . . . . 16 TRP CH2 . 19165 1
170 . 1 1 16 16 TRP N N 15 123.4622 0.2 . 1 . . . . 16 TRP N . 19165 1
171 . 1 1 16 16 TRP NE1 N 15 125.9397 0.2 . 1 . . . . 16 TRP NE1 . 19165 1
172 . 1 1 17 17 THR H H 1 10.0308 0.03 . 1 . . . . 17 THR HN . 19165 1
173 . 1 1 17 17 THR HA H 1 5.2985 0.03 . 1 . . . . 17 THR HA . 19165 1
174 . 1 1 17 17 THR HB H 1 4.8671 0.03 . 1 . . . . 17 THR HB . 19165 1
175 . 1 1 17 17 THR HG21 H 1 1.3995 0.03 . 1 . . . . 17 THR HG21 . 19165 1
176 . 1 1 17 17 THR HG22 H 1 1.3995 0.03 . 1 . . . . 17 THR HG21 . 19165 1
177 . 1 1 17 17 THR HG23 H 1 1.3995 0.03 . 1 . . . . 17 THR HG21 . 19165 1
178 . 1 1 17 17 THR C C 13 177.8669 0.3 . 1 . . . . 17 THR C . 19165 1
179 . 1 1 17 17 THR CA C 13 60.3591 0.3 . 1 . . . . 17 THR CA . 19165 1
180 . 1 1 17 17 THR CB C 13 72.5702 0.3 . 1 . . . . 17 THR CB . 19165 1
181 . 1 1 17 17 THR CG2 C 13 22.1196 0.3 . 1 . . . . 17 THR CG2 . 19165 1
182 . 1 1 17 17 THR N N 15 114.7217 0.2 . 1 . . . . 17 THR N . 19165 1
183 . 1 1 18 18 CYS H H 1 9.4025 0.03 . 1 . . . . 18 CYS HN . 19165 1
184 . 1 1 18 18 CYS HA H 1 4.5956 0.03 . 1 . . . . 18 CYS HA . 19165 1
185 . 1 1 18 18 CYS HB2 H 1 3.3530 0.03 . 2 . . . . 18 CYS HB2 . 19165 1
186 . 1 1 18 18 CYS HB3 H 1 3.0906 0.03 . 2 . . . . 18 CYS HB3 . 19165 1
187 . 1 1 18 18 CYS C C 13 176.1244 0.3 . 1 . . . . 18 CYS C . 19165 1
188 . 1 1 18 18 CYS CA C 13 59.6614 0.3 . 1 . . . . 18 CYS CA . 19165 1
189 . 1 1 18 18 CYS CB C 13 33.4457 0.3 . 1 . . . . 18 CYS CB . 19165 1
190 . 1 1 18 18 CYS N N 15 121.7052 0.2 . 1 . . . . 18 CYS N . 19165 1
191 . 1 1 19 19 GLU H H 1 8.6092 0.03 . 1 . . . . 19 GLU HN . 19165 1
192 . 1 1 19 19 GLU HA H 1 3.8126 0.03 . 1 . . . . 19 GLU HA . 19165 1
193 . 1 1 19 19 GLU HB3 H 1 1.9770 0.03 . 2 . . . . 19 GLU HB3 . 19165 1
194 . 1 1 19 19 GLU HG2 H 1 2.1760 0.03 . 2 . . . . 19 GLU HG1 . 19165 1
195 . 1 1 19 19 GLU C C 13 178.0836 0.3 . 1 . . . . 19 GLU C . 19165 1
196 . 1 1 19 19 GLU CA C 13 60.2714 0.3 . 1 . . . . 19 GLU CA . 19165 1
197 . 1 1 19 19 GLU CB C 13 30.0468 0.3 . 1 . . . . 19 GLU CB . 19165 1
198 . 1 1 19 19 GLU CG C 13 36.5224 0.3 . 1 . . . . 19 GLU CG . 19165 1
199 . 1 1 19 19 GLU N N 15 121.3797 0.2 . 1 . . . . 19 GLU N . 19165 1
200 . 1 1 20 20 ASP H H 1 7.4422 0.03 . 1 . . . . 20 ASP HN . 19165 1
201 . 1 1 20 20 ASP HA H 1 3.9149 0.03 . 1 . . . . 20 ASP HA . 19165 1
202 . 1 1 20 20 ASP HB2 H 1 1.2192 0.03 . 2 . . . . 20 ASP HB2 . 19165 1
203 . 1 1 20 20 ASP HB3 H 1 2.7063 0.03 . 2 . . . . 20 ASP HB3 . 19165 1
204 . 1 1 20 20 ASP C C 13 178.1742 0.3 . 1 . . . . 20 ASP C . 19165 1
205 . 1 1 20 20 ASP CA C 13 57.6969 0.3 . 1 . . . . 20 ASP CA . 19165 1
206 . 1 1 20 20 ASP CB C 13 40.1820 0.3 . 1 . . . . 20 ASP CB . 19165 1
207 . 1 1 20 20 ASP N N 15 118.9529 0.2 . 1 . . . . 20 ASP N . 19165 1
208 . 1 1 21 21 PHE H H 1 7.2933 0.03 . 1 . . . . 21 PHE HN . 19165 1
209 . 1 1 21 21 PHE HA H 1 4.0378 0.03 . 1 . . . . 21 PHE HA . 19165 1
210 . 1 1 21 21 PHE HB2 H 1 3.0663 0.03 . 2 . . . . 21 PHE HB2 . 19165 1
211 . 1 1 21 21 PHE HB3 H 1 2.2916 0.03 . 2 . . . . 21 PHE HB3 . 19165 1
212 . 1 1 21 21 PHE HD1 H 1 6.8896 0.03 . 3 . . . . 21 PHE HD1 . 19165 1
213 . 1 1 21 21 PHE C C 13 176.6078 0.3 . 1 . . . . 21 PHE C . 19165 1
214 . 1 1 21 21 PHE CA C 13 59.3727 0.3 . 1 . . . . 21 PHE CA . 19165 1
215 . 1 1 21 21 PHE CB C 13 39.1307 0.3 . 1 . . . . 21 PHE CB . 19165 1
216 . 1 1 21 21 PHE CD1 C 13 132.7594 0.3 . 3 . . . . 21 PHE CD1 . 19165 1
217 . 1 1 21 21 PHE N N 15 118.8998 0.2 . 1 . . . . 21 PHE N . 19165 1
218 . 1 1 22 22 LEU H H 1 8.1153 0.03 . 1 . . . . 22 LEU HN . 19165 1
219 . 1 1 22 22 LEU HA H 1 3.5096 0.03 . 1 . . . . 22 LEU HA . 19165 1
220 . 1 1 22 22 LEU HB2 H 1 1.7290 0.03 . 2 . . . . 22 LEU HB2 . 19165 1
221 . 1 1 22 22 LEU HB3 H 1 1.4170 0.03 . 2 . . . . 22 LEU HB3 . 19165 1
222 . 1 1 22 22 LEU HG H 1 1.9202 0.03 . 1 . . . . 22 LEU HG . 19165 1
223 . 1 1 22 22 LEU HD11 H 1 0.8776 0.03 . 2 . . . . 22 LEU HD11 . 19165 1
224 . 1 1 22 22 LEU HD12 H 1 0.8776 0.03 . 2 . . . . 22 LEU HD11 . 19165 1
225 . 1 1 22 22 LEU HD13 H 1 0.8776 0.03 . 2 . . . . 22 LEU HD11 . 19165 1
226 . 1 1 22 22 LEU HD21 H 1 0.7812 0.03 . 2 . . . . 22 LEU HD21 . 19165 1
227 . 1 1 22 22 LEU HD22 H 1 0.7812 0.03 . 2 . . . . 22 LEU HD21 . 19165 1
228 . 1 1 22 22 LEU HD23 H 1 0.7812 0.03 . 2 . . . . 22 LEU HD21 . 19165 1
229 . 1 1 22 22 LEU C C 13 176.6495 0.3 . 1 . . . . 22 LEU C . 19165 1
230 . 1 1 22 22 LEU CA C 13 56.0581 0.3 . 1 . . . . 22 LEU CA . 19165 1
231 . 1 1 22 22 LEU CB C 13 41.0641 0.3 . 1 . . . . 22 LEU CB . 19165 1
232 . 1 1 22 22 LEU CG C 13 26.6317 0.3 . 1 . . . . 22 LEU CG . 19165 1
233 . 1 1 22 22 LEU CD1 C 13 22.0709 0.3 . 2 . . . . 22 LEU CD1 . 19165 1
234 . 1 1 22 22 LEU CD2 C 13 25.6616 0.3 . 2 . . . . 22 LEU CD2 . 19165 1
235 . 1 1 22 22 LEU N N 15 117.2879 0.2 . 1 . . . . 22 LEU N . 19165 1
236 . 1 1 23 23 ALA H H 1 6.9173 0.03 . 1 . . . . 23 ALA HN . 19165 1
237 . 1 1 23 23 ALA HA H 1 4.1311 0.03 . 1 . . . . 23 ALA HA . 19165 1
238 . 1 1 23 23 ALA HB1 H 1 1.2972 0.03 . 1 . . . . 23 ALA HB3 . 19165 1
239 . 1 1 23 23 ALA HB2 H 1 1.2972 0.03 . 1 . . . . 23 ALA HB3 . 19165 1
240 . 1 1 23 23 ALA HB3 H 1 1.2972 0.03 . 1 . . . . 23 ALA HB3 . 19165 1
241 . 1 1 23 23 ALA C C 13 178.1522 0.3 . 1 . . . . 23 ALA C . 19165 1
242 . 1 1 23 23 ALA CA C 13 52.1093 0.3 . 1 . . . . 23 ALA CA . 19165 1
243 . 1 1 23 23 ALA CB C 13 18.7603 0.3 . 1 . . . . 23 ALA CB . 19165 1
244 . 1 1 23 23 ALA N N 15 118.5361 0.2 . 1 . . . . 23 ALA N . 19165 1
245 . 1 1 24 24 VAL H H 1 7.2358 0.03 . 1 . . . . 24 VAL HN . 19165 1
246 . 1 1 24 24 VAL HA H 1 3.6326 0.03 . 1 . . . . 24 VAL HA . 19165 1
247 . 1 1 24 24 VAL HB H 1 2.0737 0.03 . 1 . . . . 24 VAL HB . 19165 1
248 . 1 1 24 24 VAL HG11 H 1 1.0190 0.03 . 2 . . . . 24 VAL HG11 . 19165 1
249 . 1 1 24 24 VAL HG12 H 1 1.0190 0.03 . 2 . . . . 24 VAL HG11 . 19165 1
250 . 1 1 24 24 VAL HG13 H 1 1.0190 0.03 . 2 . . . . 24 VAL HG11 . 19165 1
251 . 1 1 24 24 VAL HG21 H 1 1.0544 0.03 . 2 . . . . 24 VAL HG21 . 19165 1
252 . 1 1 24 24 VAL HG22 H 1 1.0544 0.03 . 2 . . . . 24 VAL HG21 . 19165 1
253 . 1 1 24 24 VAL HG23 H 1 1.0544 0.03 . 2 . . . . 24 VAL HG21 . 19165 1
254 . 1 1 24 24 VAL C C 13 175.4094 0.3 . 1 . . . . 24 VAL C . 19165 1
255 . 1 1 24 24 VAL CA C 13 62.7093 0.3 . 1 . . . . 24 VAL CA . 19165 1
256 . 1 1 24 24 VAL CB C 13 31.8575 0.3 . 1 . . . . 24 VAL CB . 19165 1
257 . 1 1 24 24 VAL CG1 C 13 23.4846 0.3 . 2 . . . . 24 VAL CG1 . 19165 1
258 . 1 1 24 24 VAL CG2 C 13 21.5424 0.3 . 2 . . . . 24 VAL CG2 . 19165 1
259 . 1 1 24 24 VAL N N 15 121.9283 0.2 . 1 . . . . 24 VAL N . 19165 1
260 . 1 1 25 25 ASP H H 1 8.5449 0.03 . 1 . . . . 25 ASP HN . 19165 1
261 . 1 1 25 25 ASP HA H 1 4.2595 0.03 . 1 . . . . 25 ASP HA . 19165 1
262 . 1 1 25 25 ASP HB2 H 1 2.7111 0.03 . 2 . . . . 25 ASP HB2 . 19165 1
263 . 1 1 25 25 ASP HB3 H 1 2.6871 0.03 . 2 . . . . 25 ASP HB3 . 19165 1
264 . 1 1 25 25 ASP C C 13 178.0251 0.3 . 1 . . . . 25 ASP C . 19165 1
265 . 1 1 25 25 ASP CA C 13 55.6070 0.3 . 1 . . . . 25 ASP CA . 19165 1
266 . 1 1 25 25 ASP CB C 13 42.7643 0.3 . 1 . . . . 25 ASP CB . 19165 1
267 . 1 1 25 25 ASP N N 15 126.2359 0.2 . 1 . . . . 25 ASP N . 19165 1
268 . 1 1 26 26 GLU H H 1 8.8786 0.03 . 1 . . . . 26 GLU HN . 19165 1
269 . 1 1 26 26 GLU HA H 1 3.7460 0.03 . 1 . . . . 26 GLU HA . 19165 1
270 . 1 1 26 26 GLU HB3 H 1 2.2986 0.03 . 2 . . . . 26 GLU HB3 . 19165 1
271 . 1 1 26 26 GLU HG2 H 1 2.0368 0.03 . 2 . . . . 26 GLU HG1 . 19165 1
272 . 1 1 26 26 GLU C C 13 179.1779 0.3 . 1 . . . . 26 GLU C . 19165 1
273 . 1 1 26 26 GLU CA C 13 60.4979 0.3 . 1 . . . . 26 GLU CA . 19165 1
274 . 1 1 26 26 GLU CB C 13 29.5899 0.3 . 1 . . . . 26 GLU CB . 19165 1
275 . 1 1 26 26 GLU CG C 13 36.1462 0.3 . 1 . . . . 26 GLU CG . 19165 1
276 . 1 1 26 26 GLU N N 15 125.7629 0.2 . 1 . . . . 26 GLU N . 19165 1
277 . 1 1 27 27 SER H H 1 8.6813 0.03 . 1 . . . . 27 SER HN . 19165 1
278 . 1 1 27 27 SER HA H 1 4.1263 0.03 . 1 . . . . 27 SER HA . 19165 1
279 . 1 1 27 27 SER HB3 H 1 3.6848 0.03 . 2 . . . . 27 SER HB3 . 19165 1
280 . 1 1 27 27 SER C C 13 175.6534 0.3 . 1 . . . . 27 SER C . 19165 1
281 . 1 1 27 27 SER CA C 13 61.2253 0.3 . 1 . . . . 27 SER CA . 19165 1
282 . 1 1 27 27 SER CB C 13 62.8358 0.3 . 1 . . . . 27 SER CB . 19165 1
283 . 1 1 27 27 SER N N 15 113.4195 0.2 . 1 . . . . 27 SER N . 19165 1
284 . 1 1 28 28 PHE H H 1 8.3344 0.03 . 1 . . . . 28 PHE HN . 19165 1
285 . 1 1 28 28 PHE HA H 1 4.7931 0.03 . 1 . . . . 28 PHE HA . 19165 1
286 . 1 1 28 28 PHE HB2 H 1 3.3438 0.03 . 2 . . . . 28 PHE HB2 . 19165 1
287 . 1 1 28 28 PHE HB3 H 1 2.7826 0.03 . 2 . . . . 28 PHE HB3 . 19165 1
288 . 1 1 28 28 PHE HD1 H 1 7.1982 0.03 . 3 . . . . 28 PHE HD1 . 19165 1
289 . 1 1 28 28 PHE HD2 H 1 7.1982 0.03 . 3 . . . . 28 PHE HD2 . 19165 1
290 . 1 1 28 28 PHE HE1 H 1 7.2825 0.03 . 3 . . . . 28 PHE HE1 . 19165 1
291 . 1 1 28 28 PHE HE2 H 1 7.2825 0.03 . 3 . . . . 28 PHE HE2 . 19165 1
292 . 1 1 28 28 PHE C C 13 176.1620 0.3 . 1 . . . . 28 PHE C . 19165 1
293 . 1 1 28 28 PHE CA C 13 58.2872 0.3 . 1 . . . . 28 PHE CA . 19165 1
294 . 1 1 28 28 PHE CB C 13 41.1731 0.3 . 1 . . . . 28 PHE CB . 19165 1
295 . 1 1 28 28 PHE CD1 C 13 131.4469 0.3 . 3 . . . . 28 PHE CD1 . 19165 1
296 . 1 1 28 28 PHE CD2 C 13 131.4469 0.3 . 3 . . . . 28 PHE CD2 . 19165 1
297 . 1 1 28 28 PHE CE1 C 13 131.1624 0.3 . 3 . . . . 28 PHE CE1 . 19165 1
298 . 1 1 28 28 PHE CE2 C 13 131.1624 0.3 . 3 . . . . 28 PHE CE2 . 19165 1
299 . 1 1 28 28 PHE N N 15 118.6923 0.2 . 1 . . . . 28 PHE N . 19165 1
300 . 1 1 29 29 GLN H H 1 7.7835 0.03 . 1 . . . . 29 GLN HN . 19165 1
301 . 1 1 29 29 GLN HA H 1 3.8261 0.03 . 1 . . . . 29 GLN HA . 19165 1
302 . 1 1 29 29 GLN HB2 H 1 2.47413 0.03 . 2 . . . . 29 GLN HB2 . 19165 1
303 . 1 1 29 29 GLN HB3 H 1 1.8280 0.03 . 2 . . . . 29 GLN HB3 . 19165 1
304 . 1 1 29 29 GLN HG2 H 1 2.7638 0.03 . 2 . . . . 29 GLN HG2 . 19165 1
305 . 1 1 29 29 GLN HE21 H 1 6.2402 0.03 . 2 . . . . 29 GLN HE21 . 19165 1
306 . 1 1 29 29 GLN HE22 H 1 6.5246 0.03 . 2 . . . . 29 GLN HE22 . 19165 1
307 . 1 1 29 29 GLN CA C 13 62.0686 0.3 . 1 . . . . 29 GLN CA . 19165 1
308 . 1 1 29 29 GLN CB C 13 25.5334 0.3 . 1 . . . . 29 GLN CB . 19165 1
309 . 1 1 29 29 GLN CD C 13 177.3385 0.3 . 1 . . . . 29 GLN CD . 19165 1
310 . 1 1 29 29 GLN N N 15 122.9934 0.2 . 1 . . . . 29 GLN N . 19165 1
311 . 1 1 29 29 GLN NE2 N 15 107.5337 0.2 . 1 . . . . 29 GLN NE2 . 19165 1
312 . 1 1 30 30 PRO HA H 1 4.7207 0.03 . 1 . . . . 30 PRO HA . 19165 1
313 . 1 1 30 30 PRO HB2 H 1 2.3575 0.03 . 2 . . . . 30 PRO HB2 . 19165 1
314 . 1 1 30 30 PRO HB3 H 1 1.9700 0.03 . 2 . . . . 30 PRO HB3 . 19165 1
315 . 1 1 30 30 PRO HG2 H 1 2.1792 0.03 . 2 . . . . 30 PRO HG1 . 19165 1
316 . 1 1 30 30 PRO HD2 H 1 3.9129 0.03 . 2 . . . . 30 PRO HD2 . 19165 1
317 . 1 1 30 30 PRO HD3 H 1 3.8723 0.03 . 2 . . . . 30 PRO HD3 . 19165 1
318 . 1 1 30 30 PRO C C 13 178.2555 0.3 . 1 . . . . 30 PRO C . 19165 1
319 . 1 1 30 30 PRO CA C 13 65.9303 0.3 . 1 . . . . 30 PRO CA . 19165 1
320 . 1 1 30 30 PRO CB C 13 30.9038 0.3 . 1 . . . . 30 PRO CB . 19165 1
321 . 1 1 30 30 PRO CG C 13 28.4780 0.3 . 1 . . . . 30 PRO CG . 19165 1
322 . 1 1 30 30 PRO CD C 13 50.6064 0.3 . 1 . . . . 30 PRO CD . 19165 1
323 . 1 1 31 31 THR H H 1 6.9927 0.03 . 1 . . . . 31 THR HN . 19165 1
324 . 1 1 31 31 THR HA H 1 4.1892 0.03 . 1 . . . . 31 THR HA . 19165 1
325 . 1 1 31 31 THR HB H 1 4.5075 0.03 . 1 . . . . 31 THR HB . 19165 1
326 . 1 1 31 31 THR HG21 H 1 1.3912 0.03 . 1 . . . . 31 THR HG21 . 19165 1
327 . 1 1 31 31 THR HG22 H 1 1.3912 0.03 . 1 . . . . 31 THR HG21 . 19165 1
328 . 1 1 31 31 THR HG23 H 1 1.3912 0.03 . 1 . . . . 31 THR HG21 . 19165 1
329 . 1 1 31 31 THR C C 13 176.1783 0.3 . 1 . . . . 31 THR C . 19165 1
330 . 1 1 31 31 THR CA C 13 67.1012 0.3 . 1 . . . . 31 THR CA . 19165 1
331 . 1 1 31 31 THR CB C 13 67.7962 0.3 . 1 . . . . 31 THR CB . 19165 1
332 . 1 1 31 31 THR CG2 C 13 23.1313 0.3 . 1 . . . . 31 THR CG2 . 19165 1
333 . 1 1 31 31 THR N N 15 113.1944 0.2 . 1 . . . . 31 THR N . 19165 1
334 . 1 1 32 32 ALA H H 1 8.3590 0.03 . 1 . . . . 32 ALA HN . 19165 1
335 . 1 1 32 32 ALA HA H 1 4.2162 0.03 . 1 . . . . 32 ALA HA . 19165 1
336 . 1 1 32 32 ALA HB1 H 1 1.8803 0.03 . 1 . . . . 32 ALA HB3 . 19165 1
337 . 1 1 32 32 ALA HB2 H 1 1.8803 0.03 . 1 . . . . 32 ALA HB3 . 19165 1
338 . 1 1 32 32 ALA HB3 H 1 1.8803 0.03 . 1 . . . . 32 ALA HB3 . 19165 1
339 . 1 1 32 32 ALA C C 13 178.5158 0.3 . 1 . . . . 32 ALA C . 19165 1
340 . 1 1 32 32 ALA CA C 13 55.7214 0.3 . 1 . . . . 32 ALA CA . 19165 1
341 . 1 1 32 32 ALA CB C 13 18.0929 0.3 . 1 . . . . 32 ALA CB . 19165 1
342 . 1 1 32 32 ALA N N 15 124.7112 0.2 . 1 . . . . 32 ALA N . 19165 1
343 . 1 1 33 33 VAL H H 1 8.1286 0.03 . 1 . . . . 33 VAL HN . 19165 1
344 . 1 1 33 33 VAL HA H 1 3.6227 0.03 . 1 . . . . 33 VAL HA . 19165 1
345 . 1 1 33 33 VAL HB H 1 2.4789 0.03 . 1 . . . . 33 VAL HB . 19165 1
346 . 1 1 33 33 VAL HG11 H 1 1.3224 0.03 . 2 . . . . 33 VAL HG11 . 19165 1
347 . 1 1 33 33 VAL HG12 H 1 1.3224 0.03 . 2 . . . . 33 VAL HG11 . 19165 1
348 . 1 1 33 33 VAL HG13 H 1 1.3224 0.03 . 2 . . . . 33 VAL HG11 . 19165 1
349 . 1 1 33 33 VAL HG21 H 1 0.9566 0.03 . 2 . . . . 33 VAL HG21 . 19165 1
350 . 1 1 33 33 VAL HG22 H 1 0.9566 0.03 . 2 . . . . 33 VAL HG21 . 19165 1
351 . 1 1 33 33 VAL HG23 H 1 0.9566 0.03 . 2 . . . . 33 VAL HG21 . 19165 1
352 . 1 1 33 33 VAL C C 13 177.9266 0.3 . 1 . . . . 33 VAL C . 19165 1
353 . 1 1 33 33 VAL CA C 13 67.4936 0.3 . 1 . . . . 33 VAL CA . 19165 1
354 . 1 1 33 33 VAL CB C 13 31.8646 0.3 . 1 . . . . 33 VAL CB . 19165 1
355 . 1 1 33 33 VAL CG1 C 13 21.3995 0.3 . 2 . . . . 33 VAL CG1 . 19165 1
356 . 1 1 33 33 VAL CG2 C 13 24.3502 0.3 . 2 . . . . 33 VAL CG2 . 19165 1
357 . 1 1 33 33 VAL N N 15 118.2627 0.2 . 1 . . . . 33 VAL N . 19165 1
358 . 1 1 34 34 GLY H H 1 8.9569 0.03 . 1 . . . . 34 GLY HN . 19165 1
359 . 1 1 34 34 GLY HA2 H 1 3.8244 0.03 . 2 . . . . 34 GLY HA2 . 19165 1
360 . 1 1 34 34 GLY HA3 H 1 3.8244 0.03 . 2 . . . . 34 GLY HA3 . 19165 1
361 . 1 1 34 34 GLY C C 13 174.5207 0.3 . 1 . . . . 34 GLY C . 19165 1
362 . 1 1 34 34 GLY CA C 13 47.4360 0.3 . 1 . . . . 34 GLY CA . 19165 1
363 . 1 1 34 34 GLY N N 15 105.2631 0.2 . 1 . . . . 34 GLY N . 19165 1
364 . 1 1 35 35 PHE H H 1 8.5480 0.03 . 1 . . . . 35 PHE HN . 19165 1
365 . 1 1 35 35 PHE HA H 1 3.6869 0.03 . 1 . . . . 35 PHE HA . 19165 1
366 . 1 1 35 35 PHE HB2 H 1 3.2471 0.03 . 2 . . . . 35 PHE HB2 . 19165 1
367 . 1 1 35 35 PHE HB3 H 1 3.0012 0.03 . 2 . . . . 35 PHE HB3 . 19165 1
368 . 1 1 35 35 PHE HD1 H 1 6.8448 0.03 . 3 . . . . 35 PHE HD1 . 19165 1
369 . 1 1 35 35 PHE HE1 H 1 7.0162 0.03 . 3 . . . . 35 PHE HE1 . 19165 1
370 . 1 1 35 35 PHE HZ H 1 6.9355 0.03 . 1 . . . . 35 PHE HZ . 19165 1
371 . 1 1 35 35 PHE C C 13 176.2776 0.3 . 1 . . . . 35 PHE C . 19165 1
372 . 1 1 35 35 PHE CA C 13 61.2959 0.3 . 1 . . . . 35 PHE CA . 19165 1
373 . 1 1 35 35 PHE CB C 13 40.7848 0.3 . 1 . . . . 35 PHE CB . 19165 1
374 . 1 1 35 35 PHE CD1 C 13 132.5519 0.3 . 3 . . . . 35 PHE CD1 . 19165 1
375 . 1 1 35 35 PHE CE1 C 13 131.1246 0.3 . 3 . . . . 35 PHE CE1 . 19165 1
376 . 1 1 35 35 PHE CZ C 13 129.6381 0.3 . 1 . . . . 35 PHE CZ . 19165 1
377 . 1 1 35 35 PHE N N 15 122.6202 0.2 . 1 . . . . 35 PHE N . 19165 1
378 . 1 1 36 36 ALA H H 1 8.1130 0.03 . 1 . . . . 36 ALA HN . 19165 1
379 . 1 1 36 36 ALA HA H 1 3.7048 0.03 . 1 . . . . 36 ALA HA . 19165 1
380 . 1 1 36 36 ALA HB1 H 1 1.2947 0.03 . 1 . . . . 36 ALA HB3 . 19165 1
381 . 1 1 36 36 ALA HB2 H 1 1.2947 0.03 . 1 . . . . 36 ALA HB3 . 19165 1
382 . 1 1 36 36 ALA HB3 H 1 1.2947 0.03 . 1 . . . . 36 ALA HB3 . 19165 1
383 . 1 1 36 36 ALA C C 13 179.2391 0.3 . 1 . . . . 36 ALA C . 19165 1
384 . 1 1 36 36 ALA CA C 13 55.3344 0.3 . 1 . . . . 36 ALA CA . 19165 1
385 . 1 1 36 36 ALA CB C 13 17.9353 0.3 . 1 . . . . 36 ALA CB . 19165 1
386 . 1 1 36 36 ALA N N 15 118.3871 0.2 . 1 . . . . 36 ALA N . 19165 1
387 . 1 1 37 37 GLU H H 1 8.0928 0.03 . 1 . . . . 37 GLU HN . 19165 1
388 . 1 1 37 37 GLU CA C 13 58.7823 0.3 . 1 . . . . 37 GLU CA . 19165 1
389 . 1 1 37 37 GLU CB C 13 28.2940 0.3 . 1 . . . . 37 GLU CB . 19165 1
390 . 1 1 37 37 GLU N N 15 117.5504 0.2 . 1 . . . . 37 GLU N . 19165 1
391 . 1 1 38 38 ALA HA H 1 3.2201 0.03 . 1 . . . . 38 ALA HA . 19165 1
392 . 1 1 38 38 ALA HB1 H 1 0.4280 0.03 . 1 . . . . 38 ALA HB3 . 19165 1
393 . 1 1 38 38 ALA HB2 H 1 0.4280 0.03 . 1 . . . . 38 ALA HB3 . 19165 1
394 . 1 1 38 38 ALA HB3 H 1 0.4280 0.03 . 1 . . . . 38 ALA HB3 . 19165 1
395 . 1 1 38 38 ALA C C 13 179.9270 0.3 . 1 . . . . 38 ALA C . 19165 1
396 . 1 1 38 38 ALA CA C 13 55.0549 0.3 . 1 . . . . 38 ALA CA . 19165 1
397 . 1 1 38 38 ALA CB C 13 18.0612 0.3 . 1 . . . . 38 ALA CB . 19165 1
398 . 1 1 39 39 LEU H H 1 7.5588 0.03 . 1 . . . . 39 LEU HN . 19165 1
399 . 1 1 39 39 LEU HA H 1 3.3974 0.03 . 1 . . . . 39 LEU HA . 19165 1
400 . 1 1 39 39 LEU HB3 H 1 1.2563 0.03 . 2 . . . . 39 LEU HB3 . 19165 1
401 . 1 1 39 39 LEU HG H 1 1.5146 0.03 . 1 . . . . 39 LEU HG . 19165 1
402 . 1 1 39 39 LEU HD11 H 1 0.5108 0.03 . 2 . . . . 39 LEU HD11 . 19165 1
403 . 1 1 39 39 LEU HD12 H 1 0.5108 0.03 . 2 . . . . 39 LEU HD11 . 19165 1
404 . 1 1 39 39 LEU HD13 H 1 0.5108 0.03 . 2 . . . . 39 LEU HD11 . 19165 1
405 . 1 1 39 39 LEU HD21 H 1 0.6568 0.03 . 2 . . . . 39 LEU HD21 . 19165 1
406 . 1 1 39 39 LEU HD22 H 1 0.6568 0.03 . 2 . . . . 39 LEU HD21 . 19165 1
407 . 1 1 39 39 LEU HD23 H 1 0.6568 0.03 . 2 . . . . 39 LEU HD21 . 19165 1
408 . 1 1 39 39 LEU CA C 13 57.0316 0.3 . 1 . . . . 39 LEU CA . 19165 1
409 . 1 1 39 39 LEU CB C 13 42.3438 0.3 . 1 . . . . 39 LEU CB . 19165 1
410 . 1 1 39 39 LEU CG C 13 24.9020 0.3 . 1 . . . . 39 LEU CG . 19165 1
411 . 1 1 39 39 LEU CD1 C 13 23.9109 0.3 . 2 . . . . 39 LEU CD1 . 19165 1
412 . 1 1 39 39 LEU CD2 C 13 25.1402 0.3 . 2 . . . . 39 LEU CD2 . 19165 1
413 . 1 1 39 39 LEU N N 15 113.8449 0.2 . 1 . . . . 39 LEU N . 19165 1
414 . 1 1 40 40 ASN HA H 1 4.5531 0.03 . 1 . . . . 40 ASN HA . 19165 1
415 . 1 1 40 40 ASN HB3 H 1 2.6866 0.03 . 2 . . . . 40 ASN HB3 . 19165 1
416 . 1 1 40 40 ASN HD21 H 1 6.8327 0.03 . 2 . . . . 40 ASN HD21 . 19165 1
417 . 1 1 40 40 ASN HD22 H 1 7.6120 0.03 . 2 . . . . 40 ASN HD22 . 19165 1
418 . 1 1 40 40 ASN C C 13 175.3115 0.3 . 1 . . . . 40 ASN C . 19165 1
419 . 1 1 40 40 ASN CA C 13 53.8190 0.3 . 1 . . . . 40 ASN CA . 19165 1
420 . 1 1 40 40 ASN CB C 13 40.0160 0.3 . 1 . . . . 40 ASN CB . 19165 1
421 . 1 1 40 40 ASN CG C 13 176.9164 0.3 . 1 . . . . 40 ASN CG . 19165 1
422 . 1 1 40 40 ASN ND2 N 15 114.6377 0.2 . 1 . . . . 40 ASN ND2 . 19165 1
423 . 1 1 41 41 ASN H H 1 7.4218 0.03 . 1 . . . . 41 ASN HN . 19165 1
424 . 1 1 41 41 ASN HA H 1 4.7061 0.03 . 1 . . . . 41 ASN HA . 19165 1
425 . 1 1 41 41 ASN CA C 13 53.2052 0.3 . 1 . . . . 41 ASN CA . 19165 1
426 . 1 1 41 41 ASN CB C 13 39.9483 0.3 . 1 . . . . 41 ASN CB . 19165 1
427 . 1 1 41 41 ASN N N 15 118.3502 0.2 . 1 . . . . 41 ASN N . 19165 1
428 . 1 1 45 45 PRO HA H 1 4.0753 0.03 . 1 . . . . 45 PRO HA . 19165 1
429 . 1 1 45 45 PRO HB3 H 1 1.8870 0.03 . 2 . . . . 45 PRO HB3 . 19165 1
430 . 1 1 45 45 PRO HG2 H 1 2.1209 0.03 . 2 . . . . 45 PRO HG1 . 19165 1
431 . 1 1 45 45 PRO HD2 H 1 3.7098 0.03 . 2 . . . . 45 PRO HD2 . 19165 1
432 . 1 1 45 45 PRO HD3 H 1 3.6693 0.03 . 2 . . . . 45 PRO HD3 . 19165 1
433 . 1 1 45 45 PRO C C 13 177.7253 0.3 . 1 . . . . 45 PRO C . 19165 1
434 . 1 1 45 45 PRO CA C 13 65.8480 0.3 . 1 . . . . 45 PRO CA . 19165 1
435 . 1 1 45 45 PRO CB C 13 31.8569 0.3 . 1 . . . . 45 PRO CB . 19165 1
436 . 1 1 45 45 PRO CG C 13 27.7347 0.3 . 1 . . . . 45 PRO CG . 19165 1
437 . 1 1 45 45 PRO CD C 13 50.2531 0.3 . 1 . . . . 45 PRO CD . 19165 1
438 . 1 1 46 46 GLU H H 1 9.3824 0.03 . 1 . . . . 46 GLU HN . 19165 1
439 . 1 1 46 46 GLU HA H 1 3.9791 0.03 . 1 . . . . 46 GLU HA . 19165 1
440 . 1 1 46 46 GLU HB3 H 1 1.9468 0.03 . 2 . . . . 46 GLU HB3 . 19165 1
441 . 1 1 46 46 GLU HG2 H 1 2.2647 0.03 . 2 . . . . 46 GLU HG1 . 19165 1
442 . 1 1 46 46 GLU C C 13 175.7862 0.3 . 1 . . . . 46 GLU C . 19165 1
443 . 1 1 46 46 GLU CA C 13 58.4083 0.3 . 1 . . . . 46 GLU CA . 19165 1
444 . 1 1 46 46 GLU CB C 13 28.5452 0.3 . 1 . . . . 46 GLU CB . 19165 1
445 . 1 1 46 46 GLU CG C 13 36.0270 0.3 . 1 . . . . 46 GLU CG . 19165 1
446 . 1 1 46 46 GLU N N 15 114.7326 0.2 . 1 . . . . 46 GLU N . 19165 1
447 . 1 1 47 47 ASP H H 1 7.3896 0.03 . 1 . . . . 47 ASP HN . 19165 1
448 . 1 1 47 47 ASP HA H 1 4.8288 0.03 . 1 . . . . 47 ASP HA . 19165 1
449 . 1 1 47 47 ASP HB2 H 1 2.8152 0.03 . 2 . . . . 47 ASP HB2 . 19165 1
450 . 1 1 47 47 ASP HB3 H 1 2.4674 0.03 . 2 . . . . 47 ASP HB3 . 19165 1
451 . 1 1 47 47 ASP C C 13 176.5783 0.3 . 1 . . . . 47 ASP C . 19165 1
452 . 1 1 47 47 ASP CA C 13 53.7398 0.3 . 1 . . . . 47 ASP CA . 19165 1
453 . 1 1 47 47 ASP CB C 13 42.9949 0.3 . 1 . . . . 47 ASP CB . 19165 1
454 . 1 1 47 47 ASP N N 15 116.2354 0.2 . 1 . . . . 47 ASP N . 19165 1
455 . 1 1 48 48 ALA H H 1 7.0030 0.03 . 1 . . . . 48 ALA HN . 19165 1
456 . 1 1 48 48 ALA HA H 1 4.1994 0.03 . 1 . . . . 48 ALA HA . 19165 1
457 . 1 1 48 48 ALA HB1 H 1 1.4421 0.03 . 1 . . . . 48 ALA HB3 . 19165 1
458 . 1 1 48 48 ALA HB2 H 1 1.4421 0.03 . 1 . . . . 48 ALA HB3 . 19165 1
459 . 1 1 48 48 ALA HB3 H 1 1.4421 0.03 . 1 . . . . 48 ALA HB3 . 19165 1
460 . 1 1 48 48 ALA C C 13 176.7007 0.3 . 1 . . . . 48 ALA C . 19165 1
461 . 1 1 48 48 ALA CA C 13 54.0561 0.3 . 1 . . . . 48 ALA CA . 19165 1
462 . 1 1 48 48 ALA CB C 13 20.5815 0.3 . 1 . . . . 48 ALA CB . 19165 1
463 . 1 1 48 48 ALA N N 15 122.5753 0.2 . 1 . . . . 48 ALA N . 19165 1
464 . 1 1 49 49 VAL H H 1 8.6790 0.03 . 1 . . . . 49 VAL HN . 19165 1
465 . 1 1 49 49 VAL HA H 1 4.0852 0.03 . 1 . . . . 49 VAL HA . 19165 1
466 . 1 1 49 49 VAL HB H 1 1.9815 0.03 . 1 . . . . 49 VAL HB . 19165 1
467 . 1 1 49 49 VAL HG11 H 1 0.8340 0.03 . 2 . . . . 49 VAL HG11 . 19165 1
468 . 1 1 49 49 VAL HG12 H 1 0.8340 0.03 . 2 . . . . 49 VAL HG11 . 19165 1
469 . 1 1 49 49 VAL HG13 H 1 0.8340 0.03 . 2 . . . . 49 VAL HG11 . 19165 1
470 . 1 1 49 49 VAL HG21 H 1 1.4366 0.03 . 2 . . . . 49 VAL HG21 . 19165 1
471 . 1 1 49 49 VAL HG22 H 1 1.4366 0.03 . 2 . . . . 49 VAL HG21 . 19165 1
472 . 1 1 49 49 VAL HG23 H 1 1.4366 0.03 . 2 . . . . 49 VAL HG21 . 19165 1
473 . 1 1 49 49 VAL C C 13 174.1066 0.3 . 1 . . . . 49 VAL C . 19165 1
474 . 1 1 49 49 VAL CA C 13 61.0526 0.3 . 1 . . . . 49 VAL CA . 19165 1
475 . 1 1 49 49 VAL CB C 13 34.7966 0.3 . 1 . . . . 49 VAL CB . 19165 1
476 . 1 1 49 49 VAL CG1 C 13 20.8367 0.3 . 2 . . . . 49 VAL CG1 . 19165 1
477 . 1 1 49 49 VAL N N 15 123.6189 0.2 . 1 . . . . 49 VAL N . 19165 1
478 . 1 1 50 50 LEU H H 1 8.6734 0.03 . 1 . . . . 50 LEU HN . 19165 1
479 . 1 1 50 50 LEU HA H 1 3.6745 0.03 . 1 . . . . 50 LEU HA . 19165 1
480 . 1 1 50 50 LEU HB3 H 1 1.4446 0.03 . 2 . . . . 50 LEU HB3 . 19165 1
481 . 1 1 50 50 LEU HG H 1 0.6606 0.03 . 1 . . . . 50 LEU HG . 19165 1
482 . 1 1 50 50 LEU HD11 H 1 0.2903 0.03 . 2 . . . . 50 LEU HD11 . 19165 1
483 . 1 1 50 50 LEU HD12 H 1 0.2903 0.03 . 2 . . . . 50 LEU HD11 . 19165 1
484 . 1 1 50 50 LEU HD13 H 1 0.2903 0.03 . 2 . . . . 50 LEU HD11 . 19165 1
485 . 1 1 50 50 LEU HD21 H 1 -0.0532 0.03 . 2 . . . . 50 LEU HD21 . 19165 1
486 . 1 1 50 50 LEU HD22 H 1 -0.0532 0.03 . 2 . . . . 50 LEU HD21 . 19165 1
487 . 1 1 50 50 LEU HD23 H 1 -0.0532 0.03 . 2 . . . . 50 LEU HD21 . 19165 1
488 . 1 1 50 50 LEU C C 13 174.1539 0.3 . 1 . . . . 50 LEU C . 19165 1
489 . 1 1 50 50 LEU CA C 13 53.5351 0.3 . 1 . . . . 50 LEU CA . 19165 1
490 . 1 1 50 50 LEU CB C 13 41.9920 0.3 . 1 . . . . 50 LEU CB . 19165 1
491 . 1 1 50 50 LEU CG C 13 26.6814 0.3 . 1 . . . . 50 LEU CG . 19165 1
492 . 1 1 50 50 LEU CD1 C 13 23.0654 0.3 . 2 . . . . 50 LEU CD1 . 19165 1
493 . 1 1 50 50 LEU CD2 C 13 23.0654 0.3 . 2 . . . . 50 LEU CD2 . 19165 1
494 . 1 1 50 50 LEU N N 15 128.0443 0.2 . 1 . . . . 50 LEU N . 19165 1
495 . 1 1 51 51 ASP H H 1 9.0773 0.03 . 1 . . . . 51 ASP HN . 19165 1
496 . 1 1 51 51 ASP HA H 1 4.8438 0.03 . 1 . . . . 51 ASP HA . 19165 1
497 . 1 1 51 51 ASP HB2 H 1 3.2886 0.03 . 2 . . . . 51 ASP HB2 . 19165 1
498 . 1 1 51 51 ASP HB3 H 1 2.4972 0.03 . 2 . . . . 51 ASP HB3 . 19165 1
499 . 1 1 51 51 ASP C C 13 175.8122 0.3 . 1 . . . . 51 ASP C . 19165 1
500 . 1 1 51 51 ASP CA C 13 51.4796 0.3 . 1 . . . . 51 ASP CA . 19165 1
501 . 1 1 51 51 ASP CB C 13 40.2374 0.3 . 1 . . . . 51 ASP CB . 19165 1
502 . 1 1 51 51 ASP N N 15 129.8635 0.2 . 1 . . . . 51 ASP N . 19165 1
503 . 1 1 52 52 VAL H H 1 8.1576 0.03 . 1 . . . . 52 VAL HN . 19165 1
504 . 1 1 52 52 VAL HA H 1 3.3021 0.03 . 1 . . . . 52 VAL HA . 19165 1
505 . 1 1 52 52 VAL HB H 1 1.6532 0.03 . 1 . . . . 52 VAL HB . 19165 1
506 . 1 1 52 52 VAL HG11 H 1 0.4273 0.03 . 2 . . . . 52 VAL HG11 . 19165 1
507 . 1 1 52 52 VAL HG12 H 1 0.4273 0.03 . 2 . . . . 52 VAL HG11 . 19165 1
508 . 1 1 52 52 VAL HG13 H 1 0.4273 0.03 . 2 . . . . 52 VAL HG11 . 19165 1
509 . 1 1 52 52 VAL HG21 H 1 0.8694 0.03 . 2 . . . . 52 VAL HG21 . 19165 1
510 . 1 1 52 52 VAL HG22 H 1 0.8694 0.03 . 2 . . . . 52 VAL HG21 . 19165 1
511 . 1 1 52 52 VAL HG23 H 1 0.8694 0.03 . 2 . . . . 52 VAL HG21 . 19165 1
512 . 1 1 52 52 VAL C C 13 177.1841 0.3 . 1 . . . . 52 VAL C . 19165 1
513 . 1 1 52 52 VAL CA C 13 66.7144 0.3 . 1 . . . . 52 VAL CA . 19165 1
514 . 1 1 52 52 VAL CB C 13 31.1499 0.3 . 1 . . . . 52 VAL CB . 19165 1
515 . 1 1 52 52 VAL CG1 C 13 21.0362 0.3 . 2 . . . . 52 VAL CG1 . 19165 1
516 . 1 1 52 52 VAL N N 15 122.2248 0.2 . 1 . . . . 52 VAL N . 19165 1
517 . 1 1 53 53 GLN H H 1 8.2431 0.03 . 1 . . . . 53 GLN HN . 19165 1
518 . 1 1 53 53 GLN HA H 1 3.9565 0.03 . 1 . . . . 53 GLN HA . 19165 1
519 . 1 1 53 53 GLN HB3 H 1 2.0526 0.03 . 2 . . . . 53 GLN HB3 . 19165 1
520 . 1 1 53 53 GLN HG2 H 1 2.3630 0.03 . 2 . . . . 53 GLN HG2 . 19165 1
521 . 1 1 53 53 GLN HE21 H 1 6.8528 0.03 . 2 . . . . 53 GLN HE21 . 19165 1
522 . 1 1 53 53 GLN HE22 H 1 7.5200 0.03 . 2 . . . . 53 GLN HE22 . 19165 1
523 . 1 1 53 53 GLN C C 13 179.3917 0.3 . 1 . . . . 53 GLN C . 19165 1
524 . 1 1 53 53 GLN CA C 13 58.7121 0.3 . 1 . . . . 53 GLN CA . 19165 1
525 . 1 1 53 53 GLN CB C 13 27.8294 0.3 . 1 . . . . 53 GLN CB . 19165 1
526 . 1 1 53 53 GLN CG C 13 34.0597 0.3 . 1 . . . . 53 GLN CG . 19165 1
527 . 1 1 53 53 GLN CD C 13 180.0957 0.3 . 1 . . . . 53 GLN CD . 19165 1
528 . 1 1 53 53 GLN N N 15 119.0818 0.2 . 1 . . . . 53 GLN N . 19165 1
529 . 1 1 53 53 GLN NE2 N 15 112.5113 0.2 . 1 . . . . 53 GLN NE2 . 19165 1
530 . 1 1 54 54 GLY H H 1 8.3564 0.03 . 1 . . . . 54 GLY HN . 19165 1
531 . 1 1 54 54 GLY HA2 H 1 3.6102 0.03 . 2 . . . . 54 GLY HA2 . 19165 1
532 . 1 1 54 54 GLY HA3 H 1 3.6102 0.03 . 2 . . . . 54 GLY HA3 . 19165 1
533 . 1 1 54 54 GLY C C 13 175.4965 0.3 . 1 . . . . 54 GLY C . 19165 1
534 . 1 1 54 54 GLY CA C 13 47.8675 0.3 . 1 . . . . 54 GLY CA . 19165 1
535 . 1 1 54 54 GLY N N 15 110.8186 0.2 . 1 . . . . 54 GLY N . 19165 1
536 . 1 1 55 55 ILE H H 1 8.4117 0.03 . 1 . . . . 55 ILE HN . 19165 1
537 . 1 1 55 55 ILE HA H 1 3.7327 0.03 . 1 . . . . 55 ILE HA . 19165 1
538 . 1 1 55 55 ILE HB H 1 2.0587 0.03 . 1 . . . . 55 ILE HB . 19165 1
539 . 1 1 55 55 ILE HG12 H 1 1.1844 0.03 . 2 . . . . 55 ILE HG12 . 19165 1
540 . 1 1 55 55 ILE HG21 H 1 1.0802 0.03 . 1 . . . . 55 ILE HG21 . 19165 1
541 . 1 1 55 55 ILE HG22 H 1 1.0802 0.03 . 1 . . . . 55 ILE HG21 . 19165 1
542 . 1 1 55 55 ILE HG23 H 1 1.0802 0.03 . 1 . . . . 55 ILE HG21 . 19165 1
543 . 1 1 55 55 ILE HD11 H 1 0.8567 0.03 . 1 . . . . 55 ILE HD11 . 19165 1
544 . 1 1 55 55 ILE HD12 H 1 0.8567 0.03 . 1 . . . . 55 ILE HD11 . 19165 1
545 . 1 1 55 55 ILE HD13 H 1 0.8567 0.03 . 1 . . . . 55 ILE HD11 . 19165 1
546 . 1 1 55 55 ILE C C 13 179.2979 0.3 . 1 . . . . 55 ILE C . 19165 1
547 . 1 1 55 55 ILE CA C 13 65.4744 0.3 . 1 . . . . 55 ILE CA . 19165 1
548 . 1 1 55 55 ILE CB C 13 37.8675 0.3 . 1 . . . . 55 ILE CB . 19165 1
549 . 1 1 55 55 ILE CG1 C 13 29.8064 0.3 . 1 . . . . 55 ILE CG1 . 19165 1
550 . 1 1 55 55 ILE CG2 C 13 18.5573 0.3 . 1 . . . . 55 ILE CG2 . 19165 1
551 . 1 1 55 55 ILE CD1 C 13 13.6680 0.3 . 1 . . . . 55 ILE CD1 . 19165 1
552 . 1 1 55 55 ILE N N 15 122.4633 0.2 . 1 . . . . 55 ILE N . 19165 1
553 . 1 1 56 56 ALA H H 1 8.5941 0.03 . 1 . . . . 56 ALA HN . 19165 1
554 . 1 1 56 56 ALA HA H 1 4.2644 0.03 . 1 . . . . 56 ALA HA . 19165 1
555 . 1 1 56 56 ALA HB1 H 1 1.5457 0.03 . 1 . . . . 56 ALA HB3 . 19165 1
556 . 1 1 56 56 ALA HB2 H 1 1.5457 0.03 . 1 . . . . 56 ALA HB3 . 19165 1
557 . 1 1 56 56 ALA HB3 H 1 1.5457 0.03 . 1 . . . . 56 ALA HB3 . 19165 1
558 . 1 1 56 56 ALA C C 13 179.9425 0.3 . 1 . . . . 56 ALA C . 19165 1
559 . 1 1 56 56 ALA CA C 13 55.2261 0.3 . 1 . . . . 56 ALA CA . 19165 1
560 . 1 1 56 56 ALA CB C 13 18.4792 0.3 . 1 . . . . 56 ALA CB . 19165 1
561 . 1 1 56 56 ALA N N 15 124.1962 0.2 . 1 . . . . 56 ALA N . 19165 1
562 . 1 1 57 57 THR H H 1 8.0432 0.03 . 1 . . . . 57 THR HN . 19165 1
563 . 1 1 57 57 THR HA H 1 4.0500 0.03 . 1 . . . . 57 THR HA . 19165 1
564 . 1 1 57 57 THR HB H 1 4.2309 0.03 . 1 . . . . 57 THR HB . 19165 1
565 . 1 1 57 57 THR HG21 H 1 1.2117 0.03 . 1 . . . . 57 THR HG21 . 19165 1
566 . 1 1 57 57 THR HG22 H 1 1.2117 0.03 . 1 . . . . 57 THR HG21 . 19165 1
567 . 1 1 57 57 THR HG23 H 1 1.2117 0.03 . 1 . . . . 57 THR HG21 . 19165 1
568 . 1 1 57 57 THR C C 13 176.2493 0.3 . 1 . . . . 57 THR C . 19165 1
569 . 1 1 57 57 THR CA C 13 65.9829 0.3 . 1 . . . . 57 THR CA . 19165 1
570 . 1 1 57 57 THR CB C 13 69.2279 0.3 . 1 . . . . 57 THR CB . 19165 1
571 . 1 1 57 57 THR CG2 C 13 21.5615 0.3 . 1 . . . . 57 THR CG2 . 19165 1
572 . 1 1 57 57 THR N N 15 113.4477 0.2 . 1 . . . . 57 THR N . 19165 1
573 . 1 1 58 58 VAL H H 1 8.6274 0.03 . 1 . . . . 58 VAL HN . 19165 1
574 . 1 1 58 58 VAL HA H 1 4.0937 0.03 . 1 . . . . 58 VAL HA . 19165 1
575 . 1 1 58 58 VAL HB H 1 1.9307 0.03 . 1 . . . . 58 VAL HB . 19165 1
576 . 1 1 58 58 VAL HG11 H 1 0.8321 0.03 . 2 . . . . 58 VAL HG11 . 19165 1
577 . 1 1 58 58 VAL HG12 H 1 0.8321 0.03 . 2 . . . . 58 VAL HG11 . 19165 1
578 . 1 1 58 58 VAL HG13 H 1 0.8321 0.03 . 2 . . . . 58 VAL HG11 . 19165 1
579 . 1 1 58 58 VAL C C 13 177.4669 0.3 . 1 . . . . 58 VAL C . 19165 1
580 . 1 1 58 58 VAL CA C 13 63.9155 0.3 . 1 . . . . 58 VAL CA . 19165 1
581 . 1 1 58 58 VAL CB C 13 32.2733 0.3 . 1 . . . . 58 VAL CB . 19165 1
582 . 1 1 58 58 VAL CG1 C 13 21.7275 0.3 . 2 . . . . 58 VAL CG1 . 19165 1
583 . 1 1 58 58 VAL N N 15 118.3355 0.2 . 1 . . . . 58 VAL N . 19165 1
584 . 1 1 59 59 THR H H 1 8.0457 0.03 . 1 . . . . 59 THR HN . 19165 1
585 . 1 1 59 59 THR HA H 1 4.0920 0.03 . 1 . . . . 59 THR HA . 19165 1
586 . 1 1 59 59 THR CA C 13 71.7902 0.3 . 1 . . . . 59 THR CA . 19165 1
587 . 1 1 59 59 THR CB C 13 66.1384 0.3 . 1 . . . . 59 THR CB . 19165 1
588 . 1 1 59 59 THR N N 15 118.6749 0.2 . 1 . . . . 59 THR N . 19165 1
589 . 1 1 60 60 PRO HA H 1 4.4085 0.03 . 1 . . . . 60 PRO HA . 19165 1
590 . 1 1 60 60 PRO HB2 H 1 2.3931 0.03 . 2 . . . . 60 PRO HB2 . 19165 1
591 . 1 1 60 60 PRO HB3 H 1 1.9378 0.03 . 2 . . . . 60 PRO HB3 . 19165 1
592 . 1 1 60 60 PRO HG2 H 1 2.1318 0.03 . 2 . . . . 60 PRO HG1 . 19165 1
593 . 1 1 60 60 PRO HD2 H 1 3.9119 0.03 . 2 . . . . 60 PRO HD2 . 19165 1
594 . 1 1 60 60 PRO HD3 H 1 3.5907 0.03 . 2 . . . . 60 PRO HD3 . 19165 1
595 . 1 1 60 60 PRO C C 13 179.3810 0.3 . 1 . . . . 60 PRO C . 19165 1
596 . 1 1 60 60 PRO CA C 13 65.9699 0.3 . 1 . . . . 60 PRO CA . 19165 1
597 . 1 1 60 60 PRO CB C 13 30.8580 0.3 . 1 . . . . 60 PRO CB . 19165 1
598 . 1 1 60 60 PRO CG C 13 28.1473 0.3 . 1 . . . . 60 PRO CG . 19165 1
599 . 1 1 60 60 PRO CD C 13 50.6320 0.3 . 1 . . . . 60 PRO CD . 19165 1
600 . 1 1 61 61 ALA H H 1 6.8312 0.03 . 1 . . . . 61 ALA HN . 19165 1
601 . 1 1 61 61 ALA HA H 1 4.2819 0.03 . 1 . . . . 61 ALA HA . 19165 1
602 . 1 1 61 61 ALA HB1 H 1 1.6277 0.03 . 1 . . . . 61 ALA HB3 . 19165 1
603 . 1 1 61 61 ALA HB2 H 1 1.6277 0.03 . 1 . . . . 61 ALA HB3 . 19165 1
604 . 1 1 61 61 ALA HB3 H 1 1.6277 0.03 . 1 . . . . 61 ALA HB3 . 19165 1
605 . 1 1 61 61 ALA C C 13 180.9663 0.3 . 1 . . . . 61 ALA C . 19165 1
606 . 1 1 61 61 ALA CA C 13 54.9255 0.3 . 1 . . . . 61 ALA CA . 19165 1
607 . 1 1 61 61 ALA CB C 13 18.1115 0.3 . 1 . . . . 61 ALA CB . 19165 1
608 . 1 1 61 61 ALA N N 15 120.4976 0.2 . 1 . . . . 61 ALA N . 19165 1
609 . 1 1 62 62 ILE H H 1 8.5373 0.03 . 1 . . . . 62 ILE HN . 19165 1
610 . 1 1 62 62 ILE HA H 1 3.7286 0.03 . 1 . . . . 62 ILE HA . 19165 1
611 . 1 1 62 62 ILE HB H 1 2.0255 0.03 . 1 . . . . 62 ILE HB . 19165 1
612 . 1 1 62 62 ILE HG12 H 1 0.7805 0.03 . 2 . . . . 62 ILE HG12 . 19165 1
613 . 1 1 62 62 ILE HG13 H 1 1.7575 0.03 . 2 . . . . 62 ILE HG13 . 19165 1
614 . 1 1 62 62 ILE HG21 H 1 0.8065 0.03 . 1 . . . . 62 ILE HG21 . 19165 1
615 . 1 1 62 62 ILE HG22 H 1 0.8065 0.03 . 1 . . . . 62 ILE HG21 . 19165 1
616 . 1 1 62 62 ILE HG23 H 1 0.8065 0.03 . 1 . . . . 62 ILE HG21 . 19165 1
617 . 1 1 62 62 ILE HD11 H 1 0.8994 0.03 . 1 . . . . 62 ILE HD11 . 19165 1
618 . 1 1 62 62 ILE HD12 H 1 0.8994 0.03 . 1 . . . . 62 ILE HD11 . 19165 1
619 . 1 1 62 62 ILE HD13 H 1 0.8994 0.03 . 1 . . . . 62 ILE HD11 . 19165 1
620 . 1 1 62 62 ILE C C 13 178.0574 0.3 . 1 . . . . 62 ILE C . 19165 1
621 . 1 1 62 62 ILE CA C 13 64.9010 0.3 . 1 . . . . 62 ILE CA . 19165 1
622 . 1 1 62 62 ILE CB C 13 37.9067 0.3 . 1 . . . . 62 ILE CB . 19165 1
623 . 1 1 62 62 ILE CG1 C 13 30.3734 0.3 . 1 . . . . 62 ILE CG1 . 19165 1
624 . 1 1 62 62 ILE CG2 C 13 18.7864 0.3 . 1 . . . . 62 ILE CG2 . 19165 1
625 . 1 1 62 62 ILE CD1 C 13 17.9304 0.3 . 1 . . . . 62 ILE CD1 . 19165 1
626 . 1 1 62 62 ILE N N 15 122.1764 0.2 . 1 . . . . 62 ILE N . 19165 1
627 . 1 1 63 63 VAL H H 1 8.8084 0.03 . 1 . . . . 63 VAL HN . 19165 1
628 . 1 1 63 63 VAL HA H 1 3.7024 0.03 . 1 . . . . 63 VAL HA . 19165 1
629 . 1 1 63 63 VAL HB H 1 2.3339 0.03 . 1 . . . . 63 VAL HB . 19165 1
630 . 1 1 63 63 VAL HG11 H 1 0.9214 0.03 . 2 . . . . 63 VAL HG11 . 19165 1
631 . 1 1 63 63 VAL HG12 H 1 0.9214 0.03 . 2 . . . . 63 VAL HG11 . 19165 1
632 . 1 1 63 63 VAL HG13 H 1 0.9214 0.03 . 2 . . . . 63 VAL HG11 . 19165 1
633 . 1 1 63 63 VAL HG21 H 1 1.1438 0.03 . 2 . . . . 63 VAL HG21 . 19165 1
634 . 1 1 63 63 VAL HG22 H 1 1.1438 0.03 . 2 . . . . 63 VAL HG21 . 19165 1
635 . 1 1 63 63 VAL HG23 H 1 1.1438 0.03 . 2 . . . . 63 VAL HG21 . 19165 1
636 . 1 1 63 63 VAL C C 13 179.2871 0.3 . 1 . . . . 63 VAL C . 19165 1
637 . 1 1 63 63 VAL CA C 13 68.2853 0.3 . 1 . . . . 63 VAL CA . 19165 1
638 . 1 1 63 63 VAL CB C 13 31.7813 0.3 . 1 . . . . 63 VAL CB . 19165 1
639 . 1 1 63 63 VAL CG1 C 13 20.7226 0.3 . 2 . . . . 63 VAL CG1 . 19165 1
640 . 1 1 63 63 VAL CG2 C 13 22.9695 0.3 . 2 . . . . 63 VAL CG2 . 19165 1
641 . 1 1 63 63 VAL N N 15 122.5053 0.2 . 1 . . . . 63 VAL N . 19165 1
642 . 1 1 64 64 GLN H H 1 8.0419 0.03 . 1 . . . . 64 GLN HN . 19165 1
643 . 1 1 64 64 GLN HA H 1 4.0979 0.03 . 1 . . . . 64 GLN HA . 19165 1
644 . 1 1 64 64 GLN HB3 H 1 2.1888 0.03 . 2 . . . . 64 GLN HB3 . 19165 1
645 . 1 1 64 64 GLN HG2 H 1 2.4583 0.03 . 2 . . . . 64 GLN HG2 . 19165 1
646 . 1 1 64 64 GLN HE21 H 1 6.8514 0.03 . 2 . . . . 64 GLN HE21 . 19165 1
647 . 1 1 64 64 GLN HE22 H 1 7.5038 0.03 . 2 . . . . 64 GLN HE22 . 19165 1
648 . 1 1 64 64 GLN C C 13 178.6068 0.3 . 1 . . . . 64 GLN C . 19165 1
649 . 1 1 64 64 GLN CA C 13 59.4823 0.3 . 1 . . . . 64 GLN CA . 19165 1
650 . 1 1 64 64 GLN CB C 13 28.2637 0.3 . 1 . . . . 64 GLN CB . 19165 1
651 . 1 1 64 64 GLN CG C 13 33.6757 0.3 . 1 . . . . 64 GLN CG . 19165 1
652 . 1 1 64 64 GLN CD C 13 179.8321 0.3 . 1 . . . . 64 GLN CD . 19165 1
653 . 1 1 64 64 GLN N N 15 119.7698 0.2 . 1 . . . . 64 GLN N . 19165 1
654 . 1 1 64 64 GLN NE2 N 15 111.8584 0.2 . 1 . . . . 64 GLN NE2 . 19165 1
655 . 1 1 65 65 ALA H H 1 8.4992 0.03 . 1 . . . . 65 ALA HN . 19165 1
656 . 1 1 65 65 ALA HA H 1 4.1749 0.03 . 1 . . . . 65 ALA HA . 19165 1
657 . 1 1 65 65 ALA HB1 H 1 1.5370 0.03 . 1 . . . . 65 ALA HB3 . 19165 1
658 . 1 1 65 65 ALA HB2 H 1 1.5370 0.03 . 1 . . . . 65 ALA HB3 . 19165 1
659 . 1 1 65 65 ALA HB3 H 1 1.5370 0.03 . 1 . . . . 65 ALA HB3 . 19165 1
660 . 1 1 65 65 ALA C C 13 181.8314 0.3 . 1 . . . . 65 ALA C . 19165 1
661 . 1 1 65 65 ALA CA C 13 55.1930 0.3 . 1 . . . . 65 ALA CA . 19165 1
662 . 1 1 65 65 ALA CB C 13 18.6700 0.3 . 1 . . . . 65 ALA CB . 19165 1
663 . 1 1 65 65 ALA N N 15 122.4103 0.2 . 1 . . . . 65 ALA N . 19165 1
664 . 1 1 66 66 CYS H H 1 9.1902 0.03 . 1 . . . . 66 CYS HN . 19165 1
665 . 1 1 66 66 CYS HA H 1 4.9970 0.03 . 1 . . . . 66 CYS HA . 19165 1
666 . 1 1 66 66 CYS HB2 H 1 3.5536 0.03 . 2 . . . . 66 CYS HB2 . 19165 1
667 . 1 1 66 66 CYS HB3 H 1 3.1085 0.03 . 2 . . . . 66 CYS HB3 . 19165 1
668 . 1 1 66 66 CYS C C 13 176.5886 0.3 . 1 . . . . 66 CYS C . 19165 1
669 . 1 1 66 66 CYS CA C 13 52.3578 0.3 . 1 . . . . 66 CYS CA . 19165 1
670 . 1 1 66 66 CYS CB C 13 31.1684 0.3 . 1 . . . . 66 CYS CB . 19165 1
671 . 1 1 66 66 CYS N N 15 114.6484 0.2 . 1 . . . . 66 CYS N . 19165 1
672 . 1 1 67 67 THR H H 1 8.2740 0.03 . 1 . . . . 67 THR HN . 19165 1
673 . 1 1 67 67 THR HA H 1 3.8008 0.03 . 1 . . . . 67 THR HA . 19165 1
674 . 1 1 67 67 THR HB H 1 4.4146 0.03 . 1 . . . . 67 THR HB . 19165 1
675 . 1 1 67 67 THR HG21 H 1 1.2958 0.03 . 1 . . . . 67 THR HG21 . 19165 1
676 . 1 1 67 67 THR HG22 H 1 1.2958 0.03 . 1 . . . . 67 THR HG21 . 19165 1
677 . 1 1 67 67 THR HG23 H 1 1.2958 0.03 . 1 . . . . 67 THR HG21 . 19165 1
678 . 1 1 67 67 THR C C 13 175.1970 0.3 . 1 . . . . 67 THR C . 19165 1
679 . 1 1 67 67 THR CA C 13 66.8860 0.3 . 1 . . . . 67 THR CA . 19165 1
680 . 1 1 67 67 THR CB C 13 69.1014 0.3 . 1 . . . . 67 THR CB . 19165 1
681 . 1 1 67 67 THR CG2 C 13 21.2164 0.3 . 1 . . . . 67 THR CG2 . 19165 1
682 . 1 1 67 67 THR N N 15 116.3138 0.2 . 1 . . . . 67 THR N . 19165 1
683 . 1 1 68 68 GLN H H 1 7.1917 0.03 . 1 . . . . 68 GLN HN . 19165 1
684 . 1 1 68 68 GLN HA H 1 4.2806 0.03 . 1 . . . . 68 GLN HA . 19165 1
685 . 1 1 68 68 GLN HB3 H 1 2.0341 0.03 . 2 . . . . 68 GLN HB3 . 19165 1
686 . 1 1 68 68 GLN HG2 H 1 2.2819 0.03 . 2 . . . . 68 GLN HG2 . 19165 1
687 . 1 1 68 68 GLN HG3 H 1 2.4966 0.03 . 2 . . . . 68 GLN HG3 . 19165 1
688 . 1 1 68 68 GLN HE21 H 1 6.8682 0.03 . 2 . . . . 68 GLN HE21 . 19165 1
689 . 1 1 68 68 GLN HE22 H 1 7.4261 0.03 . 2 . . . . 68 GLN HE22 . 19165 1
690 . 1 1 68 68 GLN C C 13 175.4087 0.3 . 1 . . . . 68 GLN C . 19165 1
691 . 1 1 68 68 GLN CA C 13 56.3470 0.3 . 1 . . . . 68 GLN CA . 19165 1
692 . 1 1 68 68 GLN CB C 13 29.3396 0.3 . 1 . . . . 68 GLN CB . 19165 1
693 . 1 1 68 68 GLN CG C 13 33.8594 0.3 . 1 . . . . 68 GLN CG . 19165 1
694 . 1 1 68 68 GLN CD C 13 180.2627 0.3 . 1 . . . . 68 GLN CD . 19165 1
695 . 1 1 68 68 GLN N N 15 116.9520 0.2 . 1 . . . . 68 GLN N . 19165 1
696 . 1 1 68 68 GLN NE2 N 15 111.9131 0.2 . 1 . . . . 68 GLN NE2 . 19165 1
697 . 1 1 69 69 ASP H H 1 7.2836 0.03 . 1 . . . . 69 ASP HN . 19165 1
698 . 1 1 69 69 ASP HA H 1 4.9006 0.03 . 1 . . . . 69 ASP HA . 19165 1
699 . 1 1 69 69 ASP HB2 H 1 2.8507 0.03 . 2 . . . . 69 ASP HB2 . 19165 1
700 . 1 1 69 69 ASP HB3 H 1 2.4516 0.03 . 2 . . . . 69 ASP HB3 . 19165 1
701 . 1 1 69 69 ASP C C 13 175.0774 0.3 . 1 . . . . 69 ASP C . 19165 1
702 . 1 1 69 69 ASP CA C 13 52.5158 0.3 . 1 . . . . 69 ASP CA . 19165 1
703 . 1 1 69 69 ASP CB C 13 40.7416 0.3 . 1 . . . . 69 ASP CB . 19165 1
704 . 1 1 69 69 ASP N N 15 120.5856 0.2 . 1 . . . . 69 ASP N . 19165 1
705 . 1 1 70 70 LYS H H 1 8.3646 0.03 . 1 . . . . 70 LYS HN . 19165 1
706 . 1 1 70 70 LYS HA H 1 4.0501 0.03 . 1 . . . . 70 LYS HA . 19165 1
707 . 1 1 70 70 LYS HB3 H 1 1.7676 0.03 . 2 . . . . 70 LYS HB3 . 19165 1
708 . 1 1 70 70 LYS HG2 H 1 1.4050 0.03 . 2 . . . . 70 LYS HG1 . 19165 1
709 . 1 1 70 70 LYS HD2 H 1 1.6400 0.03 . 2 . . . . 70 LYS HD2 . 19165 1
710 . 1 1 70 70 LYS HE2 H 1 3.0199 0.03 . 2 . . . . 70 LYS HE1 . 19165 1
711 . 1 1 70 70 LYS C C 13 177.4753 0.3 . 1 . . . . 70 LYS C . 19165 1
712 . 1 1 70 70 LYS CA C 13 60.3369 0.3 . 1 . . . . 70 LYS CA . 19165 1
713 . 1 1 70 70 LYS CB C 13 33.4804 0.3 . 1 . . . . 70 LYS CB . 19165 1
714 . 1 1 70 70 LYS CG C 13 26.6851 0.3 . 1 . . . . 70 LYS CG . 19165 1
715 . 1 1 70 70 LYS CD C 13 29.5345 0.3 . 1 . . . . 70 LYS CD . 19165 1
716 . 1 1 70 70 LYS CE C 13 42.3642 0.3 . 1 . . . . 70 LYS CE . 19165 1
717 . 1 1 70 70 LYS N N 15 120.8481 0.2 . 1 . . . . 70 LYS N . 19165 1
718 . 1 1 71 71 GLN H H 1 8.2655 0.03 . 1 . . . . 71 GLN HN . 19165 1
719 . 1 1 71 71 GLN HA H 1 4.5104 0.03 . 1 . . . . 71 GLN HA . 19165 1
720 . 1 1 71 71 GLN HB3 H 1 2.0412 0.03 . 2 . . . . 71 GLN HB3 . 19165 1
721 . 1 1 71 71 GLN HG2 H 1 2.4226 0.03 . 2 . . . . 71 GLN HG2 . 19165 1
722 . 1 1 71 71 GLN HE21 H 1 6.8681 0.03 . 2 . . . . 71 GLN HE21 . 19165 1
723 . 1 1 71 71 GLN HE22 H 1 7.6014 0.03 . 2 . . . . 71 GLN HE22 . 19165 1
724 . 1 1 71 71 GLN C C 13 176.1237 0.3 . 1 . . . . 71 GLN C . 19165 1
725 . 1 1 71 71 GLN CA C 13 55.3888 0.3 . 1 . . . . 71 GLN CA . 19165 1
726 . 1 1 71 71 GLN CB C 13 28.3611 0.3 . 1 . . . . 71 GLN CB . 19165 1
727 . 1 1 71 71 GLN CG C 13 34.4131 0.3 . 1 . . . . 71 GLN CG . 19165 1
728 . 1 1 71 71 GLN CD C 13 180.5863 0.3 . 1 . . . . 71 GLN CD . 19165 1
729 . 1 1 71 71 GLN N N 15 112.8424 0.2 . 1 . . . . 71 GLN N . 19165 1
730 . 1 1 71 71 GLN NE2 N 15 113.2261 0.2 . 1 . . . . 71 GLN NE2 . 19165 1
731 . 1 1 72 72 ALA H H 1 7.3317 0.03 . 1 . . . . 72 ALA HN . 19165 1
732 . 1 1 72 72 ALA HA H 1 4.1949 0.03 . 1 . . . . 72 ALA HA . 19165 1
733 . 1 1 72 72 ALA HB1 H 1 1.5607 0.03 . 1 . . . . 72 ALA HB3 . 19165 1
734 . 1 1 72 72 ALA HB2 H 1 1.5607 0.03 . 1 . . . . 72 ALA HB3 . 19165 1
735 . 1 1 72 72 ALA HB3 H 1 1.5607 0.03 . 1 . . . . 72 ALA HB3 . 19165 1
736 . 1 1 72 72 ALA C C 13 176.4967 0.3 . 1 . . . . 72 ALA C . 19165 1
737 . 1 1 72 72 ALA CA C 13 51.8836 0.3 . 1 . . . . 72 ALA CA . 19165 1
738 . 1 1 72 72 ALA CB C 13 20.1411 0.3 . 1 . . . . 72 ALA CB . 19165 1
739 . 1 1 72 72 ALA N N 15 121.7242 0.2 . 1 . . . . 72 ALA N . 19165 1
740 . 1 1 73 73 ASN H H 1 8.7860 0.03 . 1 . . . . 73 ASN HN . 19165 1
741 . 1 1 73 73 ASN HA H 1 4.7152 0.03 . 1 . . . . 73 ASN HA . 19165 1
742 . 1 1 73 73 ASN HB2 H 1 2.9228 0.03 . 2 . . . . 73 ASN HB2 . 19165 1
743 . 1 1 73 73 ASN HB3 H 1 2.7094 0.03 . 2 . . . . 73 ASN HB3 . 19165 1
744 . 1 1 73 73 ASN HD21 H 1 6.7415 0.03 . 2 . . . . 73 ASN HD21 . 19165 1
745 . 1 1 73 73 ASN HD22 H 1 7.9206 0.03 . 2 . . . . 73 ASN HD22 . 19165 1
746 . 1 1 73 73 ASN C C 13 175.5914 0.3 . 1 . . . . 73 ASN C . 19165 1
747 . 1 1 73 73 ASN CA C 13 55.1042 0.3 . 1 . . . . 73 ASN CA . 19165 1
748 . 1 1 73 73 ASN CB C 13 39.6296 0.3 . 1 . . . . 73 ASN CB . 19165 1
749 . 1 1 73 73 ASN CG C 13 175.1350 0.3 . 1 . . . . 73 ASN CG . 19165 1
750 . 1 1 73 73 ASN N N 15 118.9456 0.2 . 1 . . . . 73 ASN N . 19165 1
751 . 1 1 73 73 ASN ND2 N 15 112.0128 0.2 . 1 . . . . 73 ASN ND2 . 19165 1
752 . 1 1 74 74 PHE H H 1 8.4994 0.03 . 1 . . . . 74 PHE HN . 19165 1
753 . 1 1 74 74 PHE HA H 1 4.2732 0.03 . 1 . . . . 74 PHE HA . 19165 1
754 . 1 1 74 74 PHE HB3 H 1 3.1063 0.03 . 2 . . . . 74 PHE HB3 . 19165 1
755 . 1 1 74 74 PHE HD1 H 1 6.8646 0.03 . 3 . . . . 74 PHE HD1 . 19165 1
756 . 1 1 74 74 PHE HE1 H 1 7.0277 0.03 . 3 . . . . 74 PHE HE1 . 19165 1
757 . 1 1 74 74 PHE HZ H 1 6.4553 0.03 . 1 . . . . 74 PHE HZ . 19165 1
758 . 1 1 74 74 PHE C C 13 176.0849 0.3 . 1 . . . . 74 PHE C . 19165 1
759 . 1 1 74 74 PHE CA C 13 60.3325 0.3 . 1 . . . . 74 PHE CA . 19165 1
760 . 1 1 74 74 PHE CB C 13 39.1036 0.3 . 1 . . . . 74 PHE CB . 19165 1
761 . 1 1 74 74 PHE CD1 C 13 131.5152 0.3 . 3 . . . . 74 PHE CD1 . 19165 1
762 . 1 1 74 74 PHE CE1 C 13 128.3411 0.3 . 3 . . . . 74 PHE CE1 . 19165 1
763 . 1 1 74 74 PHE CZ C 13 129.2216 0.3 . 1 . . . . 74 PHE CZ . 19165 1
764 . 1 1 74 74 PHE N N 15 128.4020 0.2 . 1 . . . . 74 PHE N . 19165 1
765 . 1 1 75 75 LYS H H 1 9.6686 0.03 . 1 . . . . 75 LYS HN . 19165 1
766 . 1 1 75 75 LYS HA H 1 3.2682 0.03 . 1 . . . . 75 LYS HA . 19165 1
767 . 1 1 75 75 LYS HB3 H 1 1.8508 0.03 . 2 . . . . 75 LYS HB3 . 19165 1
768 . 1 1 75 75 LYS HG2 H 1 1.7552 0.03 . 2 . . . . 75 LYS HG1 . 19165 1
769 . 1 1 75 75 LYS HD2 H 1 1.5256 0.03 . 2 . . . . 75 LYS HD2 . 19165 1
770 . 1 1 75 75 LYS HD3 H 1 1.3342 0.03 . 2 . . . . 75 LYS HD3 . 19165 1
771 . 1 1 75 75 LYS HE2 H 1 2.9026 0.03 . 2 . . . . 75 LYS HE1 . 19165 1
772 . 1 1 75 75 LYS C C 13 178.8360 0.3 . 1 . . . . 75 LYS C . 19165 1
773 . 1 1 75 75 LYS CA C 13 59.4065 0.3 . 1 . . . . 75 LYS CA . 19165 1
774 . 1 1 75 75 LYS CB C 13 30.1223 0.3 . 1 . . . . 75 LYS CB . 19165 1
775 . 1 1 75 75 LYS CG C 13 23.6092 0.3 . 1 . . . . 75 LYS CG . 19165 1
776 . 1 1 75 75 LYS CD C 13 28.7071 0.3 . 1 . . . . 75 LYS CD . 19165 1
777 . 1 1 75 75 LYS CE C 13 42.2445 0.3 . 1 . . . . 75 LYS CE . 19165 1
778 . 1 1 75 75 LYS N N 15 121.3949 0.2 . 1 . . . . 75 LYS N . 19165 1
779 . 1 1 76 76 ASP H H 1 8.3454 0.03 . 1 . . . . 76 ASP HN . 19165 1
780 . 1 1 76 76 ASP HA H 1 4.4495 0.03 . 1 . . . . 76 ASP HA . 19165 1
781 . 1 1 76 76 ASP HB2 H 1 2.8466 0.03 . 2 . . . . 76 ASP HB2 . 19165 1
782 . 1 1 76 76 ASP HB3 H 1 2.6777 0.03 . 2 . . . . 76 ASP HB3 . 19165 1
783 . 1 1 76 76 ASP C C 13 179.7372 0.3 . 1 . . . . 76 ASP C . 19165 1
784 . 1 1 76 76 ASP CA C 13 57.2607 0.3 . 1 . . . . 76 ASP CA . 19165 1
785 . 1 1 76 76 ASP CB C 13 40.0362 0.3 . 1 . . . . 76 ASP CB . 19165 1
786 . 1 1 76 76 ASP N N 15 121.4813 0.2 . 1 . . . . 76 ASP N . 19165 1
787 . 1 1 77 77 LYS H H 1 7.6840 0.03 . 1 . . . . 77 LYS HN . 19165 1
788 . 1 1 77 77 LYS HA H 1 4.1771 0.03 . 1 . . . . 77 LYS HA . 19165 1
789 . 1 1 77 77 LYS HB3 H 1 2.0914 0.03 . 2 . . . . 77 LYS HB3 . 19165 1
790 . 1 1 77 77 LYS HD2 H 1 1.6235 0.03 . 2 . . . . 77 LYS HG1 . 19165 1
791 . 1 1 77 77 LYS HE2 H 1 2.8495 0.03 . 2 . . . . 77 LYS HE1 . 19165 1
792 . 1 1 77 77 LYS C C 13 179.1158 0.3 . 1 . . . . 77 LYS C . 19165 1
793 . 1 1 77 77 LYS CA C 13 57.4186 0.3 . 1 . . . . 77 LYS CA . 19165 1
794 . 1 1 77 77 LYS CB C 13 31.2585 0.3 . 1 . . . . 77 LYS CB . 19165 1
795 . 1 1 77 77 LYS CG C 13 24.3138 0.3 . 1 . . . . 77 LYS CG . 19165 1
796 . 1 1 77 77 LYS CD C 13 28.0171 0.3 . 1 . . . . 77 LYS CD . 19165 1
797 . 1 1 77 77 LYS N N 15 122.2378 0.2 . 1 . . . . 77 LYS N . 19165 1
798 . 1 1 78 78 VAL H H 1 8.1401 0.03 . 1 . . . . 78 VAL HN . 19165 1
799 . 1 1 78 78 VAL HA H 1 3.2885 0.03 . 1 . . . . 78 VAL HA . 19165 1
800 . 1 1 78 78 VAL HB H 1 1.7681 0.03 . 1 . . . . 78 VAL HB . 19165 1
801 . 1 1 78 78 VAL HG11 H 1 0.1104 0.03 . 2 . . . . 78 VAL HG11 . 19165 1
802 . 1 1 78 78 VAL HG12 H 1 0.1104 0.03 . 2 . . . . 78 VAL HG11 . 19165 1
803 . 1 1 78 78 VAL HG13 H 1 0.1104 0.03 . 2 . . . . 78 VAL HG11 . 19165 1
804 . 1 1 78 78 VAL HG21 H 1 0.7342 0.03 . 2 . . . . 78 VAL HG21 . 19165 1
805 . 1 1 78 78 VAL HG22 H 1 0.7342 0.03 . 2 . . . . 78 VAL HG21 . 19165 1
806 . 1 1 78 78 VAL HG23 H 1 0.7342 0.03 . 2 . . . . 78 VAL HG21 . 19165 1
807 . 1 1 78 78 VAL C C 13 177.0056 0.3 . 1 . . . . 78 VAL C . 19165 1
808 . 1 1 78 78 VAL CA C 13 66.2683 0.3 . 1 . . . . 78 VAL CA . 19165 1
809 . 1 1 78 78 VAL CB C 13 31.4655 0.3 . 1 . . . . 78 VAL CB . 19165 1
810 . 1 1 78 78 VAL CG1 C 13 20.7690 0.3 . 2 . . . . 78 VAL CG1 . 19165 1
811 . 1 1 78 78 VAL CG2 C 13 23.2911 0.3 . 2 . . . . 78 VAL CG2 . 19165 1
812 . 1 1 78 78 VAL N N 15 119.6591 0.2 . 1 . . . . 78 VAL N . 19165 1
813 . 1 1 79 79 LYS H H 1 7.5694 0.03 . 1 . . . . 79 LYS HN . 19165 1
814 . 1 1 79 79 LYS HA H 1 3.9914 0.03 . 1 . . . . 79 LYS HA . 19165 1
815 . 1 1 79 79 LYS HB3 H 1 1.8758 0.03 . 2 . . . . 79 LYS HB3 . 19165 1
816 . 1 1 79 79 LYS HG2 H 1 1.4264 0.03 . 2 . . . . 79 LYS HG1 . 19165 1
817 . 1 1 79 79 LYS HD2 H 1 1.6540 0.03 . 2 . . . . 79 LYS HD2 . 19165 1
818 . 1 1 79 79 LYS HE2 H 1 2.9630 0.03 . 2 . . . . 79 LYS HE1 . 19165 1
819 . 1 1 79 79 LYS C C 13 178.7606 0.3 . 1 . . . . 79 LYS C . 19165 1
820 . 1 1 79 79 LYS CA C 13 59.5266 0.3 . 1 . . . . 79 LYS CA . 19165 1
821 . 1 1 79 79 LYS CB C 13 32.3700 0.3 . 1 . . . . 79 LYS CB . 19165 1
822 . 1 1 79 79 LYS CG C 13 24.6681 0.3 . 1 . . . . 79 LYS CG . 19165 1
823 . 1 1 79 79 LYS CD C 13 28.8951 0.3 . 1 . . . . 79 LYS CD . 19165 1
824 . 1 1 79 79 LYS CE C 13 42.2971 0.3 . 1 . . . . 79 LYS CE . 19165 1
825 . 1 1 79 79 LYS N N 15 118.2574 0.2 . 1 . . . . 79 LYS N . 19165 1
826 . 1 1 80 80 GLY H H 1 7.8688 0.03 . 1 . . . . 80 GLY HN . 19165 1
827 . 1 1 80 80 GLY HA2 H 1 3.9640 0.03 . 2 . . . . 80 GLY HA2 . 19165 1
828 . 1 1 80 80 GLY HA3 H 1 3.9016 0.03 . 2 . . . . 80 GLY HA3 . 19165 1
829 . 1 1 80 80 GLY C C 13 176.9582 0.3 . 1 . . . . 80 GLY C . 19165 1
830 . 1 1 80 80 GLY CA C 13 47.0392 0.3 . 1 . . . . 80 GLY CA . 19165 1
831 . 1 1 80 80 GLY N N 15 103.3759 0.2 . 1 . . . . 80 GLY N . 19165 1
832 . 1 1 81 81 GLU H H 1 7.9372 0.03 . 1 . . . . 81 GLU HN . 19165 1
833 . 1 1 81 81 GLU HA H 1 4.1843 0.03 . 1 . . . . 81 GLU HA . 19165 1
834 . 1 1 81 81 GLU HB3 H 1 2.3817 0.03 . 2 . . . . 81 GLU HB3 . 19165 1
835 . 1 1 81 81 GLU HG2 H 1 1.9667 0.03 . 2 . . . . 81 GLU HG1 . 19165 1
836 . 1 1 81 81 GLU C C 13 179.4472 0.3 . 1 . . . . 81 GLU C . 19165 1
837 . 1 1 81 81 GLU CA C 13 57.8914 0.3 . 1 . . . . 81 GLU CA . 19165 1
838 . 1 1 81 81 GLU CB C 13 28.7442 0.3 . 1 . . . . 81 GLU CB . 19165 1
839 . 1 1 81 81 GLU CG C 13 36.3065 0.3 . 1 . . . . 81 GLU CG . 19165 1
840 . 1 1 81 81 GLU N N 15 118.6243 0.2 . 1 . . . . 81 GLU N . 19165 1
841 . 1 1 82 82 TRP H H 1 8.7585 0.03 . 1 . . . . 82 TRP HN . 19165 1
842 . 1 1 82 82 TRP HA H 1 4.1858 0.03 . 1 . . . . 82 TRP HA . 19165 1
843 . 1 1 82 82 TRP HB3 H 1 3.3118 0.03 . 2 . . . . 82 TRP HB3 . 19165 1
844 . 1 1 82 82 TRP HD1 H 1 7.2284 0.03 . 1 . . . . 82 TRP HD1 . 19165 1
845 . 1 1 82 82 TRP HE1 H 1 9.8469 0.03 . 1 . . . . 82 TRP HE1 . 19165 1
846 . 1 1 82 82 TRP HE3 H 1 7.2952 0.03 . 1 . . . . 82 TRP HE3 . 19165 1
847 . 1 1 82 82 TRP HZ2 H 1 7.4010 0.03 . 1 . . . . 82 TRP HZ2 . 19165 1
848 . 1 1 82 82 TRP HZ3 H 1 6.7650 0.03 . 1 . . . . 82 TRP HZ3 . 19165 1
849 . 1 1 82 82 TRP HH2 H 1 7.1701 0.03 . 1 . . . . 82 TRP HH2 . 19165 1
850 . 1 1 82 82 TRP C C 13 178.7562 0.3 . 1 . . . . 82 TRP C . 19165 1
851 . 1 1 82 82 TRP CA C 13 60.5802 0.3 . 1 . . . . 82 TRP CA . 19165 1
852 . 1 1 82 82 TRP CB C 13 28.9028 0.3 . 1 . . . . 82 TRP CB . 19165 1
853 . 1 1 82 82 TRP CD1 C 13 127.5977 0.3 . 1 . . . . 82 TRP CD1 . 19165 1
854 . 1 1 82 82 TRP CE3 C 13 119.6702 0.3 . 1 . . . . 82 TRP CE3 . 19165 1
855 . 1 1 82 82 TRP CZ2 C 13 114.3238 0.3 . 1 . . . . 82 TRP CZ2 . 19165 1
856 . 1 1 82 82 TRP CZ3 C 13 120.7918 0.3 . 1 . . . . 82 TRP CZ3 . 19165 1
857 . 1 1 82 82 TRP CH2 C 13 123.5478 0.3 . 1 . . . . 82 TRP CH2 . 19165 1
858 . 1 1 82 82 TRP N N 15 123.0544 0.2 . 1 . . . . 82 TRP N . 19165 1
859 . 1 1 82 82 TRP NE1 N 15 128.3248 0.2 . 1 . . . . 82 TRP NE1 . 19165 1
860 . 1 1 83 83 ASP H H 1 8.3307 0.03 . 1 . . . . 83 ASP HN . 19165 1
861 . 1 1 83 83 ASP HA H 1 4.4073 0.03 . 1 . . . . 83 ASP HA . 19165 1
862 . 1 1 83 83 ASP HB2 H 1 2.8010 0.03 . 2 . . . . 83 ASP HB2 . 19165 1
863 . 1 1 83 83 ASP HB3 H 1 2.6269 0.03 . 2 . . . . 83 ASP HB3 . 19165 1
864 . 1 1 83 83 ASP C C 13 178.2782 0.3 . 1 . . . . 83 ASP C . 19165 1
865 . 1 1 83 83 ASP CA C 13 56.9528 0.3 . 1 . . . . 83 ASP CA . 19165 1
866 . 1 1 83 83 ASP CB C 13 40.3294 0.3 . 1 . . . . 83 ASP CB . 19165 1
867 . 1 1 83 83 ASP N N 15 117.0940 0.2 . 1 . . . . 83 ASP N . 19165 1
868 . 1 1 84 84 LYS H H 1 7.1621 0.03 . 1 . . . . 84 LYS HN . 19165 1
869 . 1 1 84 84 LYS HA H 1 4.0583 0.03 . 1 . . . . 84 LYS HA . 19165 1
870 . 1 1 84 84 LYS HB3 H 1 1.9165 0.03 . 2 . . . . 84 LYS HB3 . 19165 1
871 . 1 1 84 84 LYS HG2 H 1 1.3872 0.03 . 2 . . . . 84 LYS HG1 . 19165 1
872 . 1 1 84 84 LYS HD2 H 1 1.7014 0.03 . 2 . . . . 84 LYS HD2 . 19165 1
873 . 1 1 84 84 LYS HE2 H 1 2.8941 0.03 . 2 . . . . 84 LYS HE1 . 19165 1
874 . 1 1 84 84 LYS C C 13 178.2250 0.3 . 1 . . . . 84 LYS C . 19165 1
875 . 1 1 84 84 LYS CA C 13 58.7067 0.3 . 1 . . . . 84 LYS CA . 19165 1
876 . 1 1 84 84 LYS CB C 13 33.1259 0.3 . 1 . . . . 84 LYS CB . 19165 1
877 . 1 1 84 84 LYS CG C 13 25.3308 0.3 . 1 . . . . 84 LYS CG . 19165 1
878 . 1 1 84 84 LYS CD C 13 29.6415 0.3 . 1 . . . . 84 LYS CD . 19165 1
879 . 1 1 84 84 LYS CE C 13 42.1491 0.3 . 1 . . . . 84 LYS CE . 19165 1
880 . 1 1 84 84 LYS N N 15 116.5865 0.2 . 1 . . . . 84 LYS N . 19165 1
881 . 1 1 85 85 ILE H H 1 7.2745 0.03 . 1 . . . . 85 ILE HN . 19165 1
882 . 1 1 85 85 ILE HA H 1 4.1493 0.03 . 1 . . . . 85 ILE HA . 19165 1
883 . 1 1 85 85 ILE HB H 1 1.8660 0.03 . 1 . . . . 85 ILE HB . 19165 1
884 . 1 1 85 85 ILE HG12 H 1 1.2376 0.03 . 2 . . . . 85 ILE HG12 . 19165 1
885 . 1 1 85 85 ILE HG13 H 1 1.1311 0.03 . 2 . . . . 85 ILE HG13 . 19165 1
886 . 1 1 85 85 ILE HG21 H 1 0.7646 0.03 . 1 . . . . 85 ILE HG21 . 19165 1
887 . 1 1 85 85 ILE HG22 H 1 0.7646 0.03 . 1 . . . . 85 ILE HG21 . 19165 1
888 . 1 1 85 85 ILE HG23 H 1 0.7646 0.03 . 1 . . . . 85 ILE HG21 . 19165 1
889 . 1 1 85 85 ILE HD11 H 1 0.4613 0.03 . 1 . . . . 85 ILE HD11 . 19165 1
890 . 1 1 85 85 ILE HD12 H 1 0.4613 0.03 . 1 . . . . 85 ILE HD11 . 19165 1
891 . 1 1 85 85 ILE HD13 H 1 0.4613 0.03 . 1 . . . . 85 ILE HD11 . 19165 1
892 . 1 1 85 85 ILE C C 13 176.9533 0.3 . 1 . . . . 85 ILE C . 19165 1
893 . 1 1 85 85 ILE CA C 13 62.0762 0.3 . 1 . . . . 85 ILE CA . 19165 1
894 . 1 1 85 85 ILE CB C 13 38.3225 0.3 . 1 . . . . 85 ILE CB . 19165 1
895 . 1 1 85 85 ILE CG1 C 13 27.4178 0.3 . 1 . . . . 85 ILE CG1 . 19165 1
896 . 1 1 85 85 ILE CG2 C 13 17.7687 0.3 . 1 . . . . 85 ILE CG2 . 19165 1
897 . 1 1 85 85 ILE CD1 C 13 13.4059 0.3 . 1 . . . . 85 ILE CD1 . 19165 1
898 . 1 1 85 85 ILE N N 15 114.8176 0.2 . 1 . . . . 85 ILE N . 19165 1
899 . 1 1 86 86 LYS H H 1 7.7954 0.03 . 1 . . . . 86 LYS HN . 19165 1
900 . 1 1 86 86 LYS HA H 1 4.1874 0.03 . 1 . . . . 86 LYS HA . 19165 1
901 . 1 1 86 86 LYS HB3 H 1 1.7372 0.03 . 2 . . . . 86 LYS HB3 . 19165 1
902 . 1 1 86 86 LYS HG2 H 1 1.3263 0.03 . 2 . . . . 86 LYS HG1 . 19165 1
903 . 1 1 86 86 LYS HD2 H 1 1.5752 0.03 . 2 . . . . 86 LYS HD2 . 19165 1
904 . 1 1 86 86 LYS HE2 H 1 2.8128 0.03 . 2 . . . . 86 LYS HE1 . 19165 1
905 . 1 1 86 86 LYS C C 13 176.5854 0.3 . 1 . . . . 86 LYS C . 19165 1
906 . 1 1 86 86 LYS CA C 13 56.4780 0.3 . 1 . . . . 86 LYS CA . 19165 1
907 . 1 1 86 86 LYS CB C 13 32.4391 0.3 . 1 . . . . 86 LYS CB . 19165 1
908 . 1 1 86 86 LYS CG C 13 24.3284 0.3 . 1 . . . . 86 LYS CG . 19165 1
909 . 1 1 86 86 LYS CD C 13 28.8487 0.3 . 1 . . . . 86 LYS CD . 19165 1
910 . 1 1 86 86 LYS CE C 13 42.1513 0.3 . 1 . . . . 86 LYS CE . 19165 1
911 . 1 1 86 86 LYS N N 15 122.5463 0.2 . 1 . . . . 86 LYS N . 19165 1
912 . 1 1 87 87 LYS H H 1 7.9643 0.03 . 1 . . . . 87 LYS HN . 19165 1
913 . 1 1 87 87 LYS HA H 1 4.2930 0.03 . 1 . . . . 87 LYS HA . 19165 1
914 . 1 1 87 87 LYS HB3 H 1 1.8102 0.03 . 2 . . . . 87 LYS HB3 . 19165 1
915 . 1 1 87 87 LYS HG2 H 1 1.4114 0.03 . 2 . . . . 87 LYS HG1 . 19165 1
916 . 1 1 87 87 LYS HD2 H 1 1.6428 0.03 . 2 . . . . 87 LYS HD2 . 19165 1
917 . 1 1 87 87 LYS HE2 H 1 2.9614 0.03 . 2 . . . . 87 LYS HE1 . 19165 1
918 . 1 1 87 87 LYS C C 13 176.1753 0.3 . 1 . . . . 87 LYS C . 19165 1
919 . 1 1 87 87 LYS CA C 13 56.5221 0.3 . 1 . . . . 87 LYS CA . 19165 1
920 . 1 1 87 87 LYS CB C 13 33.0376 0.3 . 1 . . . . 87 LYS CB . 19165 1
921 . 1 1 87 87 LYS CG C 13 24.3764 0.3 . 1 . . . . 87 LYS CG . 19165 1
922 . 1 1 87 87 LYS CD C 13 28.9372 0.3 . 1 . . . . 87 LYS CD . 19165 1
923 . 1 1 87 87 LYS CE C 13 42.2458 0.3 . 1 . . . . 87 LYS CE . 19165 1
924 . 1 1 87 87 LYS N N 15 121.4015 0.2 . 1 . . . . 87 LYS N . 19165 1
925 . 1 1 88 88 ASP H H 1 8.2146 0.03 . 1 . . . . 88 ASP HN . 19165 1
926 . 1 1 88 88 ASP HA H 1 4.6295 0.03 . 1 . . . . 88 ASP HA . 19165 1
927 . 1 1 88 88 ASP HB2 H 1 2.7578 0.03 . 2 . . . . 88 ASP HB2 . 19165 1
928 . 1 1 88 88 ASP HB3 H 1 2.5733 0.03 . 2 . . . . 88 ASP HB3 . 19165 1
929 . 1 1 88 88 ASP C C 13 175.0786 0.3 . 1 . . . . 88 ASP C . 19165 1
930 . 1 1 88 88 ASP CA C 13 54.5054 0.3 . 1 . . . . 88 ASP CA . 19165 1
931 . 1 1 88 88 ASP CB C 13 40.9974 0.3 . 1 . . . . 88 ASP CB . 19165 1
932 . 1 1 88 88 ASP N N 15 120.9453 0.2 . 1 . . . . 88 ASP N . 19165 1
933 . 1 1 89 89 MET H H 1 7.7506 0.03 . 1 . . . . 89 MET HN . 19165 1
934 . 1 1 89 89 MET HA H 1 4.2332 0.03 . 1 . . . . 89 MET HA . 19165 1
935 . 1 1 89 89 MET HB2 H 1 2.0774 0.03 . 2 . . . . 89 MET HB2 . 19165 1
936 . 1 1 89 89 MET HB3 H 1 1.9347 0.03 . 2 . . . . 89 MET HB3 . 19165 1
937 . 1 1 89 89 MET HG2 H 1 2.5192 0.03 . 2 . . . . 89 MET HG2 . 19165 1
938 . 1 1 89 89 MET HG3 H 1 2.4804 0.03 . 2 . . . . 89 MET HG3 . 19165 1
939 . 1 1 89 89 MET CA C 13 57.2007 0.3 . 1 . . . . 89 MET CA . 19165 1
940 . 1 1 89 89 MET CB C 13 34.0181 0.3 . 1 . . . . 89 MET CB . 19165 1
941 . 1 1 89 89 MET CG C 13 32.3230 0.3 . 1 . . . . 89 MET CG . 19165 1
942 . 1 1 89 89 MET N N 15 124.9108 0.2 . 1 . . . . 89 MET N . 19165 1
stop_
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