data_7224
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 7224
_Entry.Title
;
Solution NMR structure of Phage-like element PBSX protein xkdW, Northeast
Structural Genomics Consortium Target SR355 (CASP Target)
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2006-07-14
_Entry.Accession_date 2006-07-26
_Entry.Last_release_date 2010-03-04
_Entry.Original_release_date 2010-03-04
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 2.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 G. Liu . . . 7224
2 D. Parish . . . 7224
3 D. Xu . . . 7224
4 H. Atreya . . . 7224
5 D. Sukumaran . . . 7224
6 C. Ho . K. . 7224
7 M. Jiang . . . 7224
8 K. Cunningham . . . 7224
9 L.-C. Ma . . . 7224
10 R. Xiao . . . 7224
11 J. Liu . . . 7224
12 M. Baran . . . 7224
13 G. Swapna . V. . 7224
14 T. Acton . B. . 7224
15 B. Rost . . . 7224
16 G. Montelione . T. . 7224
17 T. Szyperski . . . 7224
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 7224
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 216 7224
'15N chemical shifts' 63 7224
'1H chemical shifts' 445 7224
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 . . 2010-03-04 2006-07-14 original author . 7224
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2HG7 'BMRB Entry Tracking System' 7224
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 7224
_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
;
Solution NMR structure of Phage-like element PBSX protein xkdW, Northeast
Structural Genomics Consortium Target SR355
;
_Citation.Status submitted
_Citation.Type journal
_Citation.Journal_abbrev .
_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 G. Liu . . . 7224 1
2 D. Parish . . . 7224 1
3 D. Xu . . . 7224 1
4 H. Atreya . . . 7224 1
5 D. Sukumaran . . . 7224 1
6 C. Ho . K. . 7224 1
7 M. Jiang . . . 7224 1
8 K. Cunningham . . . 7224 1
9 L.-C. Ma . . . 7224 1
10 R. Xiao . . . 7224 1
11 J. Liu . . . 7224 1
12 M. Baran . . . 7224 1
13 G. Swapna . V.T. . 7224 1
14 T. Acton . B. . 7224 1
15 B. Rost . . . 7224 1
16 G. Montelione . T. . 7224 1
17 T. Szyperski . . . 7224 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
DIMER 7224 1
'GFT NMR' 7224 1
NESG 7224 1
'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM' 7224 1
'Phage-like element PBSX protein xkdW' 7224 1
'PROTEIN STRUCTURE INITIATIVE' 7224 1
PSI 7224 1
'STRUCTURAL GENOMICS' 7224 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_PBSX_xkdW
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_PBSX_xkdW
_Assembly.Entry_ID 7224
_Assembly.ID 1
_Assembly.Name 'Phage-like element PBSX protein xkdW'
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'not present'
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Assembly_type.Type
_Assembly_type.Entry_ID
_Assembly_type.Assembly_ID
monomer 7224 1
stop_
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'Phage-like element PBSX protein xkdW' 1 $PBSX_xkdW . . . native . . . . . 7224 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 2HG7 . . . . . . 7224 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
'Phage-like element PBSX protein xkdW' abbreviation 7224 1
'Phage-like element PBSX protein xkdW' system 7224 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_PBSX_xkdW
_Entity.Sf_category entity
_Entity.Sf_framecode PBSX_xkdW
_Entity.Entry_ID 7224
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'Phage-like element PBSX protein xkdW'
_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
;
MILYDAIMYKYPNAVSRKDF
ELRNDGNGSYIEKWNLRAPL
PTQAELETWWEELQKNPPYE
PPDQVELLAQELSQEKLARK
QLEELNKTLGNELSDIKLSL
LSLEHHHHHH
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 110
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-01-28
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2HG7 . "Solution Nmr Structure Of Phage-Like Element Pbsx Protein Xkdw, Northeast Structural Genomics Consortium Target Sr355" . . . . . 100.00 110 100.00 100.00 1.69e-72 . . . . 7224 1
2 no GB AEP90405 . "conserved hypothetical protein [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 94.55 109 98.08 100.00 9.84e-66 . . . . 7224 1
3 no REF WP_014476554 . "phage portal protein [Bacillus subtilis]" . . . . . 94.55 109 98.08 100.00 9.84e-66 . . . . 7224 1
4 no REF YP_005556379 . "hypothetical protein I33_1436 [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 94.55 109 98.08 100.00 9.84e-66 . . . . 7224 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'Phage-like element PBSX protein xkdW' abbreviation 7224 1
'Phage-like element PBSX protein xkdW' common 7224 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . MET . 7224 1
2 . ILE . 7224 1
3 . LEU . 7224 1
4 . TYR . 7224 1
5 . ASP . 7224 1
6 . ALA . 7224 1
7 . ILE . 7224 1
8 . MET . 7224 1
9 . TYR . 7224 1
10 . LYS . 7224 1
11 . TYR . 7224 1
12 . PRO . 7224 1
13 . ASN . 7224 1
14 . ALA . 7224 1
15 . VAL . 7224 1
16 . SER . 7224 1
17 . ARG . 7224 1
18 . LYS . 7224 1
19 . ASP . 7224 1
20 . PHE . 7224 1
21 . GLU . 7224 1
22 . LEU . 7224 1
23 . ARG . 7224 1
24 . ASN . 7224 1
25 . ASP . 7224 1
26 . GLY . 7224 1
27 . ASN . 7224 1
28 . GLY . 7224 1
29 . SER . 7224 1
30 . TYR . 7224 1
31 . ILE . 7224 1
32 . GLU . 7224 1
33 . LYS . 7224 1
34 . TRP . 7224 1
35 . ASN . 7224 1
36 . LEU . 7224 1
37 . ARG . 7224 1
38 . ALA . 7224 1
39 . PRO . 7224 1
40 . LEU . 7224 1
41 . PRO . 7224 1
42 . THR . 7224 1
43 . GLN . 7224 1
44 . ALA . 7224 1
45 . GLU . 7224 1
46 . LEU . 7224 1
47 . GLU . 7224 1
48 . THR . 7224 1
49 . TRP . 7224 1
50 . TRP . 7224 1
51 . GLU . 7224 1
52 . GLU . 7224 1
53 . LEU . 7224 1
54 . GLN . 7224 1
55 . LYS . 7224 1
56 . ASN . 7224 1
57 . PRO . 7224 1
58 . PRO . 7224 1
59 . TYR . 7224 1
60 . GLU . 7224 1
61 . PRO . 7224 1
62 . PRO . 7224 1
63 . ASP . 7224 1
64 . GLN . 7224 1
65 . VAL . 7224 1
66 . GLU . 7224 1
67 . LEU . 7224 1
68 . LEU . 7224 1
69 . ALA . 7224 1
70 . GLN . 7224 1
71 . GLU . 7224 1
72 . LEU . 7224 1
73 . SER . 7224 1
74 . GLN . 7224 1
75 . GLU . 7224 1
76 . LYS . 7224 1
77 . LEU . 7224 1
78 . ALA . 7224 1
79 . ARG . 7224 1
80 . LYS . 7224 1
81 . GLN . 7224 1
82 . LEU . 7224 1
83 . GLU . 7224 1
84 . GLU . 7224 1
85 . LEU . 7224 1
86 . ASN . 7224 1
87 . LYS . 7224 1
88 . THR . 7224 1
89 . LEU . 7224 1
90 . GLY . 7224 1
91 . ASN . 7224 1
92 . GLU . 7224 1
93 . LEU . 7224 1
94 . SER . 7224 1
95 . ASP . 7224 1
96 . ILE . 7224 1
97 . LYS . 7224 1
98 . LEU . 7224 1
99 . SER . 7224 1
100 . LEU . 7224 1
101 . LEU . 7224 1
102 . SER . 7224 1
103 . LEU . 7224 1
104 . GLU . 7224 1
105 . HIS . 7224 1
106 . HIS . 7224 1
107 . HIS . 7224 1
108 . HIS . 7224 1
109 . HIS . 7224 1
110 . HIS . 7224 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 7224 .
. ILE 2 2 7224 .
. LEU 3 3 7224 .
. TYR 4 4 7224 .
. ASP 5 5 7224 .
. ALA 6 6 7224 .
. ILE 7 7 7224 .
. MET 8 8 7224 .
. TYR 9 9 7224 .
. LYS 10 10 7224 .
. TYR 11 11 7224 .
. PRO 12 12 7224 .
. ASN 13 13 7224 .
. ALA 14 14 7224 .
. VAL 15 15 7224 .
. SER 16 16 7224 .
. ARG 17 17 7224 .
. LYS 18 18 7224 .
. ASP 19 19 7224 .
. PHE 20 20 7224 .
. GLU 21 21 7224 .
. LEU 22 22 7224 .
. ARG 23 23 7224 .
. ASN 24 24 7224 .
. ASP 25 25 7224 .
. GLY 26 26 7224 .
. ASN 27 27 7224 .
. GLY 28 28 7224 .
. SER 29 29 7224 .
. TYR 30 30 7224 .
. ILE 31 31 7224 .
. GLU 32 32 7224 .
. LYS 33 33 7224 .
. TRP 34 34 7224 .
. ASN 35 35 7224 .
. LEU 36 36 7224 .
. ARG 37 37 7224 .
. ALA 38 38 7224 .
. PRO 39 39 7224 .
. LEU 40 40 7224 .
. PRO 41 41 7224 .
. THR 42 42 7224 .
. GLN 43 43 7224 .
. ALA 44 44 7224 .
. GLU 45 45 7224 .
. LEU 46 46 7224 .
. GLU 47 47 7224 .
. THR 48 48 7224 .
. TRP 49 49 7224 .
. TRP 50 50 7224 .
. GLU 51 51 7224 .
. GLU 52 52 7224 .
. LEU 53 53 7224 .
. GLN 54 54 7224 .
. LYS 55 55 7224 .
. ASN 56 56 7224 .
. PRO 57 57 7224 .
. PRO 58 58 7224 .
. TYR 59 59 7224 .
. GLU 60 60 7224 .
. PRO 61 61 7224 .
. PRO 62 62 7224 .
. ASP 63 63 7224 .
. GLN 64 64 7224 .
. VAL 65 65 7224 .
. GLU 66 66 7224 .
. LEU 67 67 7224 .
. LEU 68 68 7224 .
. ALA 69 69 7224 .
. GLN 70 70 7224 .
. GLU 71 71 7224 .
. LEU 72 72 7224 .
. SER 73 73 7224 .
. GLN 74 74 7224 .
. GLU 75 75 7224 .
. LYS 76 76 7224 .
. LEU 77 77 7224 .
. ALA 78 78 7224 .
. ARG 79 79 7224 .
. LYS 80 80 7224 .
. GLN 81 81 7224 .
. LEU 82 82 7224 .
. GLU 83 83 7224 .
. GLU 84 84 7224 .
. LEU 85 85 7224 .
. ASN 86 86 7224 .
. LYS 87 87 7224 .
. THR 88 88 7224 .
. LEU 89 89 7224 .
. GLY 90 90 7224 .
. ASN 91 91 7224 .
. GLU 92 92 7224 .
. LEU 93 93 7224 .
. SER 94 94 7224 .
. ASP 95 95 7224 .
. ILE 96 96 7224 .
. LYS 97 97 7224 .
. LEU 98 98 7224 .
. SER 99 99 7224 .
. LEU 100 100 7224 .
. LEU 101 101 7224 .
. SER 102 102 7224 .
. LEU 103 103 7224 .
. GLU 104 104 7224 .
. HIS 105 105 7224 .
. HIS 106 106 7224 .
. HIS 107 107 7224 .
. HIS 108 108 7224 .
. HIS 109 109 7224 .
. HIS 110 110 7224 .
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 7224
_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 $PBSX_xkdW . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 7224 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 7224
_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 $PBSX_xkdW . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 7224 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 7224
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'Phage-like element PBSX protein xkdW' . . . 1 $PBSX_xkdW . . 1.05 . . mM . . . . 7224 1
2 NaN3 . . . . . . . 0.02 . . % . . . . 7224 1
3 DTT . . . . . . . 100 . . mM . . . . 7224 1
4 CaCl2 . . . . . . . 5 . . mM . . . . 7224 1
5 NaCl . . . . . . . 100 . . mM . . . . 7224 1
6 MES . . . . . . . 20 . . mM . . . . 7224 1
7 H2O . . . . . . . 95 . . % . . . . 7224 1
8 D2O . . . . . . . 5 . . % . . . . 7224 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_cond_1
_Sample_condition_list.Entry_ID 7224
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 6.5 . pH 7224 1
pressure 1 . atm 7224 1
temperature 298 . K 7224 1
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Software.Sf_category software
_Software.Sf_framecode VNMR
_Software.Entry_ID 7224
_Software.ID 1
_Software.Name VNMR
_Software.Version 6.1c
_Software.Details Varian
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 7224 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 7224
_Software.ID 2
_Software.Name NMRPipe
_Software.Version 2.3
_Software.Details 'Delaglio, F.'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 7224 2
stop_
save_
save_AUTOASSIGN
_Software.Sf_category software
_Software.Sf_framecode AUTOASSIGN
_Software.Entry_ID 7224
_Software.ID 3
_Software.Name AutoAssign
_Software.Version 1.15.1
_Software.Details 'Moseley, H.'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 7224 3
stop_
save_
save_AUTOSTRUCTURE
_Software.Sf_category software
_Software.Sf_framecode AUTOSTRUCTURE
_Software.Entry_ID 7224
_Software.ID 4
_Software.Name AutoStruct
_Software.Version 2.0
_Software.Details 'HUANG, Y.J.'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 7224 4
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 7224
_Software.ID 5
_Software.Name CYANA
_Software.Version 21
_Software.Details GUNTERT
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 7224 5
stop_
save_
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 7224
_Software.ID 6
_Software.Name CNS
_Software.Version 1.1
_Software.Details 'Brunger, A.T.'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 7224 6
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer
_NMR_spectrometer.Entry_ID 7224
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 7224
_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 NMR_spectrometer Varian INOVA . 600 . . . 7224 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 7224
_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 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7224 1
2 'GFT (4,3)D HNNCABCA' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7224 1
3 'GFT (4,3)D CABCA(CO)NHN' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7224 1
4 'GFT (4,3)D HABCAB(CO)NHN' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7224 1
5 'GFT (4,3)D HCCH' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7224 1
stop_
save_
save_NMR_spec_expt__0_1
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1
_NMR_spec_expt.Entry_ID 7224
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY'
_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 $NMR_spectrometer
_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_
save_NMR_spec_expt__0_2
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2
_NMR_spec_expt.Entry_ID 7224
_NMR_spec_expt.ID 2
_NMR_spec_expt.Name 'GFT (4,3)D HNNCABCA'
_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 $NMR_spectrometer
_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_
save_NMR_spec_expt__0_3
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3
_NMR_spec_expt.Entry_ID 7224
_NMR_spec_expt.ID 3
_NMR_spec_expt.Name 'GFT (4,3)D CABCA(CO)NHN'
_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 $NMR_spectrometer
_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_
save_NMR_spec_expt__0_4
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4
_NMR_spec_expt.Entry_ID 7224
_NMR_spec_expt.ID 4
_NMR_spec_expt.Name 'GFT (4,3)D HABCAB(CO)NHN'
_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 $NMR_spectrometer
_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_
save_NMR_spec_expt__0_5
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5
_NMR_spec_expt.Entry_ID 7224
_NMR_spec_expt.ID 5
_NMR_spec_expt.Name 'GFT (4,3)D HCCH'
_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 $NMR_spectrometer
_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
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference
_Chem_shift_reference.Entry_ID 7224
_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 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7224 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 7224 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7224 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 7224
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' 1 $sample_1 . 7224 1
2 'GFT (4,3)D HNNCABCA' 1 $sample_1 . 7224 1
3 'GFT (4,3)D CABCA(CO)NHN' 1 $sample_1 . 7224 1
4 'GFT (4,3)D HABCAB(CO)NHN' 1 $sample_1 . 7224 1
5 'GFT (4,3)D HCCH' 1 $sample_1 . 7224 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET CG C 13 36.0 0.5 . 1 . . . . . . . . 7224 1
2 . 1 1 1 1 MET HG2 H 1 2.30 0.01 . 2 . . . . . . . . 7224 1
3 . 1 1 1 1 MET HG3 H 1 2.40 0.01 . 2 . . . . . . . . 7224 1
4 . 1 1 1 1 MET HE1 H 1 1.89 0.01 . 1 . . . . . . . . 7224 1
5 . 1 1 1 1 MET HE2 H 1 1.89 0.01 . 1 . . . . . . . . 7224 1
6 . 1 1 1 1 MET HE3 H 1 1.89 0.01 . 1 . . . . . . . . 7224 1
7 . 1 1 1 1 MET CE C 13 17.2 0.5 . 1 . . . . . . . . 7224 1
8 . 1 1 2 2 ILE CA C 13 60.0 0.5 . 1 . . . . . . . . 7224 1
9 . 1 1 2 2 ILE HA H 1 4.13 0.01 . 1 . . . . . . . . 7224 1
10 . 1 1 2 2 ILE CB C 13 37.7 0.5 . 1 . . . . . . . . 7224 1
11 . 1 1 2 2 ILE HB H 1 2.03 0.01 . 1 . . . . . . . . 7224 1
12 . 1 1 2 2 ILE HG21 H 1 1.03 0.01 . 1 . . . . . . . . 7224 1
13 . 1 1 2 2 ILE HG22 H 1 1.03 0.01 . 1 . . . . . . . . 7224 1
14 . 1 1 2 2 ILE HG23 H 1 1.03 0.01 . 1 . . . . . . . . 7224 1
15 . 1 1 2 2 ILE CG2 C 13 18.4 0.5 . 1 . . . . . . . . 7224 1
16 . 1 1 2 2 ILE CG1 C 13 26.4 0.5 . 1 . . . . . . . . 7224 1
17 . 1 1 2 2 ILE HG12 H 1 1.38 0.01 . 2 . . . . . . . . 7224 1
18 . 1 1 2 2 ILE HG13 H 1 0.96 0.01 . 2 . . . . . . . . 7224 1
19 . 1 1 2 2 ILE HD11 H 1 0.95 0.01 . 1 . . . . . . . . 7224 1
20 . 1 1 2 2 ILE HD12 H 1 0.95 0.01 . 1 . . . . . . . . 7224 1
21 . 1 1 2 2 ILE HD13 H 1 0.95 0.01 . 1 . . . . . . . . 7224 1
22 . 1 1 2 2 ILE CD1 C 13 12.1 0.5 . 1 . . . . . . . . 7224 1
23 . 1 1 3 3 LEU N N 15 130.7 0.5 . 1 . . . . . . . . 7224 1
24 . 1 1 3 3 LEU H H 1 8.50 0.01 . 1 . . . . . . . . 7224 1
25 . 1 1 3 3 LEU CA C 13 59.2 0.5 . 1 . . . . . . . . 7224 1
26 . 1 1 3 3 LEU HA H 1 3.92 0.01 . 1 . . . . . . . . 7224 1
27 . 1 1 3 3 LEU CB C 13 41.9 0.5 . 1 . . . . . . . . 7224 1
28 . 1 1 3 3 LEU HB2 H 1 1.59 0.01 . 2 . . . . . . . . 7224 1
29 . 1 1 3 3 LEU HB3 H 1 1.76 0.01 . 2 . . . . . . . . 7224 1
30 . 1 1 3 3 LEU CG C 13 27.0 0.5 . 1 . . . . . . . . 7224 1
31 . 1 1 3 3 LEU HG H 1 1.57 0.01 . 1 . . . . . . . . 7224 1
32 . 1 1 3 3 LEU HD11 H 1 0.97 0.01 . 2 . . . . . . . . 7224 1
33 . 1 1 3 3 LEU HD12 H 1 0.97 0.01 . 2 . . . . . . . . 7224 1
34 . 1 1 3 3 LEU HD13 H 1 0.97 0.01 . 2 . . . . . . . . 7224 1
35 . 1 1 3 3 LEU HD21 H 1 0.83 0.01 . 2 . . . . . . . . 7224 1
36 . 1 1 3 3 LEU HD22 H 1 0.83 0.01 . 2 . . . . . . . . 7224 1
37 . 1 1 3 3 LEU HD23 H 1 0.83 0.01 . 2 . . . . . . . . 7224 1
38 . 1 1 3 3 LEU CD1 C 13 25.3 0.5 . 1 . . . . . . . . 7224 1
39 . 1 1 3 3 LEU CD2 C 13 26.5 0.5 . 1 . . . . . . . . 7224 1
40 . 1 1 4 4 TYR N N 15 116.9 0.5 . 1 . . . . . . . . 7224 1
41 . 1 1 4 4 TYR H H 1 8.87 0.01 . 1 . . . . . . . . 7224 1
42 . 1 1 4 4 TYR CA C 13 62.9 0.5 . 1 . . . . . . . . 7224 1
43 . 1 1 4 4 TYR HA H 1 3.83 0.01 . 1 . . . . . . . . 7224 1
44 . 1 1 4 4 TYR CB C 13 39.2 0.5 . 1 . . . . . . . . 7224 1
45 . 1 1 4 4 TYR HB2 H 1 3.18 0.01 . 2 . . . . . . . . 7224 1
46 . 1 1 4 4 TYR HB3 H 1 2.80 0.01 . 2 . . . . . . . . 7224 1
47 . 1 1 4 4 TYR HD1 H 1 7.33 0.01 . 1 . . . . . . . . 7224 1
48 . 1 1 4 4 TYR HD2 H 1 7.33 0.01 . 1 . . . . . . . . 7224 1
49 . 1 1 4 4 TYR HE1 H 1 6.98 0.01 . 1 . . . . . . . . 7224 1
50 . 1 1 4 4 TYR HE2 H 1 6.98 0.01 . 1 . . . . . . . . 7224 1
51 . 1 1 4 4 TYR CD1 C 13 132.5 0.5 . 1 . . . . . . . . 7224 1
52 . 1 1 4 4 TYR CE1 C 13 118.0 0.5 . 1 . . . . . . . . 7224 1
53 . 1 1 5 5 ASP N N 15 115.6 0.5 . 1 . . . . . . . . 7224 1
54 . 1 1 5 5 ASP H H 1 6.87 0.01 . 1 . . . . . . . . 7224 1
55 . 1 1 5 5 ASP CA C 13 56.8 0.5 . 1 . . . . . . . . 7224 1
56 . 1 1 5 5 ASP HA H 1 4.29 0.01 . 1 . . . . . . . . 7224 1
57 . 1 1 5 5 ASP CB C 13 40.5 0.5 . 1 . . . . . . . . 7224 1
58 . 1 1 5 5 ASP HB2 H 1 2.97 0.01 . 2 . . . . . . . . 7224 1
59 . 1 1 5 5 ASP HB3 H 1 2.85 0.01 . 2 . . . . . . . . 7224 1
60 . 1 1 6 6 ALA N N 15 122.0 0.5 . 1 . . . . . . . . 7224 1
61 . 1 1 6 6 ALA H H 1 8.07 0.01 . 1 . . . . . . . . 7224 1
62 . 1 1 6 6 ALA CA C 13 56.2 0.5 . 1 . . . . . . . . 7224 1
63 . 1 1 6 6 ALA HA H 1 4.24 0.01 . 1 . . . . . . . . 7224 1
64 . 1 1 6 6 ALA HB1 H 1 1.93 0.01 . 1 . . . . . . . . 7224 1
65 . 1 1 6 6 ALA HB2 H 1 1.93 0.01 . 1 . . . . . . . . 7224 1
66 . 1 1 6 6 ALA HB3 H 1 1.93 0.01 . 1 . . . . . . . . 7224 1
67 . 1 1 6 6 ALA CB C 13 19.2 0.5 . 1 . . . . . . . . 7224 1
68 . 1 1 7 7 ILE N N 15 115.9 0.5 . 1 . . . . . . . . 7224 1
69 . 1 1 7 7 ILE H H 1 7.97 0.01 . 1 . . . . . . . . 7224 1
70 . 1 1 7 7 ILE CA C 13 66.4 0.5 . 1 . . . . . . . . 7224 1
71 . 1 1 7 7 ILE HA H 1 3.75 0.01 . 1 . . . . . . . . 7224 1
72 . 1 1 7 7 ILE CB C 13 38.6 0.5 . 1 . . . . . . . . 7224 1
73 . 1 1 7 7 ILE HB H 1 1.53 0.01 . 1 . . . . . . . . 7224 1
74 . 1 1 7 7 ILE HG21 H 1 0.34 0.01 . 1 . . . . . . . . 7224 1
75 . 1 1 7 7 ILE HG22 H 1 0.34 0.01 . 1 . . . . . . . . 7224 1
76 . 1 1 7 7 ILE HG23 H 1 0.34 0.01 . 1 . . . . . . . . 7224 1
77 . 1 1 7 7 ILE CG2 C 13 16.5 0.5 . 1 . . . . . . . . 7224 1
78 . 1 1 7 7 ILE CG1 C 13 30.3 0.5 . 1 . . . . . . . . 7224 1
79 . 1 1 7 7 ILE HG12 H 1 0.94 0.01 . 2 . . . . . . . . 7224 1
80 . 1 1 7 7 ILE HG13 H 1 1.97 0.01 . 2 . . . . . . . . 7224 1
81 . 1 1 7 7 ILE HD11 H 1 0.65 0.01 . 1 . . . . . . . . 7224 1
82 . 1 1 7 7 ILE HD12 H 1 0.65 0.01 . 1 . . . . . . . . 7224 1
83 . 1 1 7 7 ILE HD13 H 1 0.65 0.01 . 1 . . . . . . . . 7224 1
84 . 1 1 7 7 ILE CD1 C 13 15.5 0.5 . 1 . . . . . . . . 7224 1
85 . 1 1 8 8 MET N N 15 114.5 0.5 . 1 . . . . . . . . 7224 1
86 . 1 1 8 8 MET H H 1 7.90 0.01 . 1 . . . . . . . . 7224 1
87 . 1 1 8 8 MET CA C 13 54.4 0.5 . 1 . . . . . . . . 7224 1
88 . 1 1 8 8 MET HA H 1 4.34 0.01 . 1 . . . . . . . . 7224 1
89 . 1 1 8 8 MET CB C 13 29.5 0.5 . 1 . . . . . . . . 7224 1
90 . 1 1 8 8 MET HB2 H 1 1.93 0.01 . 1 . . . . . . . . 7224 1
91 . 1 1 8 8 MET HB3 H 1 1.93 0.01 . 1 . . . . . . . . 7224 1
92 . 1 1 8 8 MET CG C 13 36.0 0.5 . 1 . . . . . . . . 7224 1
93 . 1 1 8 8 MET HG2 H 1 2.32 0.01 . 1 . . . . . . . . 7224 1
94 . 1 1 8 8 MET HG3 H 1 2.32 0.01 . 1 . . . . . . . . 7224 1
95 . 1 1 8 8 MET HE1 H 1 2.18 0.01 . 1 . . . . . . . . 7224 1
96 . 1 1 8 8 MET HE2 H 1 2.18 0.01 . 1 . . . . . . . . 7224 1
97 . 1 1 8 8 MET HE3 H 1 2.18 0.01 . 1 . . . . . . . . 7224 1
98 . 1 1 8 8 MET CE C 13 15.7 0.5 . 1 . . . . . . . . 7224 1
99 . 1 1 9 9 TYR N N 15 118.9 0.5 . 1 . . . . . . . . 7224 1
100 . 1 1 9 9 TYR H H 1 7.68 0.01 . 1 . . . . . . . . 7224 1
101 . 1 1 9 9 TYR CA C 13 59.9 0.5 . 1 . . . . . . . . 7224 1
102 . 1 1 9 9 TYR HA H 1 4.17 0.01 . 1 . . . . . . . . 7224 1
103 . 1 1 9 9 TYR CB C 13 38.6 0.5 . 1 . . . . . . . . 7224 1
104 . 1 1 9 9 TYR HB2 H 1 3.19 0.01 . 1 . . . . . . . . 7224 1
105 . 1 1 9 9 TYR HB3 H 1 3.19 0.01 . 1 . . . . . . . . 7224 1
106 . 1 1 9 9 TYR HD1 H 1 6.92 0.01 . 1 . . . . . . . . 7224 1
107 . 1 1 9 9 TYR HD2 H 1 6.92 0.01 . 1 . . . . . . . . 7224 1
108 . 1 1 9 9 TYR HE1 H 1 6.72 0.01 . 1 . . . . . . . . 7224 1
109 . 1 1 9 9 TYR HE2 H 1 6.72 0.01 . 1 . . . . . . . . 7224 1
110 . 1 1 9 9 TYR CD1 C 13 132.9 0.5 . 1 . . . . . . . . 7224 1
111 . 1 1 9 9 TYR CE1 C 13 117.1 0.5 . 1 . . . . . . . . 7224 1
112 . 1 1 10 10 LYS N N 15 119.0 0.5 . 1 . . . . . . . . 7224 1
113 . 1 1 10 10 LYS H H 1 6.76 0.01 . 1 . . . . . . . . 7224 1
114 . 1 1 10 10 LYS CA C 13 55.1 0.5 . 1 . . . . . . . . 7224 1
115 . 1 1 10 10 LYS HA H 1 3.20 0.01 . 1 . . . . . . . . 7224 1
116 . 1 1 10 10 LYS CB C 13 32.4 0.5 . 1 . . . . . . . . 7224 1
117 . 1 1 10 10 LYS HB2 H 1 0.17 0.01 . 2 . . . . . . . . 7224 1
118 . 1 1 10 10 LYS HB3 H 1 0.82 0.01 . 2 . . . . . . . . 7224 1
119 . 1 1 10 10 LYS CG C 13 22.8 0.5 . 1 . . . . . . . . 7224 1
120 . 1 1 10 10 LYS HG2 H 1 -0.77 0.01 . 2 . . . . . . . . 7224 1
121 . 1 1 10 10 LYS HG3 H 1 -0.53 0.01 . 2 . . . . . . . . 7224 1
122 . 1 1 10 10 LYS CD C 13 27.1 0.5 . 1 . . . . . . . . 7224 1
123 . 1 1 10 10 LYS HD2 H 1 0.27 0.01 . 2 . . . . . . . . 7224 1
124 . 1 1 10 10 LYS HD3 H 1 0.90 0.01 . 2 . . . . . . . . 7224 1
125 . 1 1 10 10 LYS CE C 13 41.8 0.5 . 1 . . . . . . . . 7224 1
126 . 1 1 10 10 LYS HE2 H 1 2.17 0.01 . 2 . . . . . . . . 7224 1
127 . 1 1 10 10 LYS HE3 H 1 2.40 0.01 . 2 . . . . . . . . 7224 1
128 . 1 1 11 11 TYR N N 15 117.1 0.5 . 1 . . . . . . . . 7224 1
129 . 1 1 11 11 TYR H H 1 8.36 0.01 . 1 . . . . . . . . 7224 1
130 . 1 1 11 11 TYR CA C 13 55.3 0.5 . 1 . . . . . . . . 7224 1
131 . 1 1 11 11 TYR HA H 1 4.77 0.01 . 1 . . . . . . . . 7224 1
132 . 1 1 11 11 TYR CB C 13 38.0 0.5 . 1 . . . . . . . . 7224 1
133 . 1 1 11 11 TYR HB2 H 1 2.63 0.01 . 2 . . . . . . . . 7224 1
134 . 1 1 11 11 TYR HB3 H 1 2.78 0.01 . 2 . . . . . . . . 7224 1
135 . 1 1 11 11 TYR HD1 H 1 7.04 0.01 . 1 . . . . . . . . 7224 1
136 . 1 1 11 11 TYR HD2 H 1 7.04 0.01 . 1 . . . . . . . . 7224 1
137 . 1 1 11 11 TYR HE1 H 1 6.78 0.01 . 1 . . . . . . . . 7224 1
138 . 1 1 11 11 TYR HE2 H 1 6.78 0.01 . 1 . . . . . . . . 7224 1
139 . 1 1 11 11 TYR CD1 C 13 132.8 0.5 . 1 . . . . . . . . 7224 1
140 . 1 1 11 11 TYR CE1 C 13 117.1 0.5 . 1 . . . . . . . . 7224 1
141 . 1 1 12 12 PRO CD C 13 49.8 0.5 . 1 . . . . . . . . 7224 1
142 . 1 1 12 12 PRO CA C 13 64.4 0.5 . 1 . . . . . . . . 7224 1
143 . 1 1 12 12 PRO HA H 1 4.66 0.01 . 1 . . . . . . . . 7224 1
144 . 1 1 12 12 PRO CB C 13 31.9 0.5 . 1 . . . . . . . . 7224 1
145 . 1 1 12 12 PRO HB2 H 1 1.82 0.01 . 2 . . . . . . . . 7224 1
146 . 1 1 12 12 PRO HB3 H 1 2.31 0.01 . 2 . . . . . . . . 7224 1
147 . 1 1 12 12 PRO CG C 13 27.0 0.5 . 1 . . . . . . . . 7224 1
148 . 1 1 12 12 PRO HG2 H 1 1.70 0.01 . 2 . . . . . . . . 7224 1
149 . 1 1 12 12 PRO HG3 H 1 1.83 0.01 . 2 . . . . . . . . 7224 1
150 . 1 1 12 12 PRO HD2 H 1 3.40 0.01 . 2 . . . . . . . . 7224 1
151 . 1 1 12 12 PRO HD3 H 1 3.04 0.01 . 2 . . . . . . . . 7224 1
152 . 1 1 13 13 ASN N N 15 113.8 0.5 . 1 . . . . . . . . 7224 1
153 . 1 1 13 13 ASN H H 1 8.52 0.01 . 1 . . . . . . . . 7224 1
154 . 1 1 13 13 ASN CA C 13 52.5 0.5 . 1 . . . . . . . . 7224 1
155 . 1 1 13 13 ASN HA H 1 4.79 0.01 . 1 . . . . . . . . 7224 1
156 . 1 1 13 13 ASN CB C 13 38.6 0.5 . 1 . . . . . . . . 7224 1
157 . 1 1 13 13 ASN HB2 H 1 2.71 0.01 . 2 . . . . . . . . 7224 1
158 . 1 1 13 13 ASN HB3 H 1 2.87 0.01 . 2 . . . . . . . . 7224 1
159 . 1 1 13 13 ASN ND2 N 15 113.4 0.5 . 1 . . . . . . . . 7224 1
160 . 1 1 13 13 ASN HD21 H 1 7.54 0.01 . 2 . . . . . . . . 7224 1
161 . 1 1 13 13 ASN HD22 H 1 6.92 0.01 . 2 . . . . . . . . 7224 1
162 . 1 1 14 14 ALA N N 15 125.4 0.5 . 1 . . . . . . . . 7224 1
163 . 1 1 14 14 ALA H H 1 8.02 0.01 . 1 . . . . . . . . 7224 1
164 . 1 1 14 14 ALA CA C 13 52.7 0.5 . 1 . . . . . . . . 7224 1
165 . 1 1 14 14 ALA HA H 1 4.30 0.01 . 1 . . . . . . . . 7224 1
166 . 1 1 14 14 ALA HB1 H 1 1.50 0.01 . 1 . . . . . . . . 7224 1
167 . 1 1 14 14 ALA HB2 H 1 1.50 0.01 . 1 . . . . . . . . 7224 1
168 . 1 1 14 14 ALA HB3 H 1 1.50 0.01 . 1 . . . . . . . . 7224 1
169 . 1 1 14 14 ALA CB C 13 20.0 0.5 . 1 . . . . . . . . 7224 1
170 . 1 1 15 15 VAL N N 15 122.3 0.5 . 1 . . . . . . . . 7224 1
171 . 1 1 15 15 VAL H H 1 9.88 0.01 . 1 . . . . . . . . 7224 1
172 . 1 1 15 15 VAL CA C 13 61.4 0.5 . 1 . . . . . . . . 7224 1
173 . 1 1 15 15 VAL HA H 1 4.18 0.01 . 1 . . . . . . . . 7224 1
174 . 1 1 15 15 VAL CB C 13 33.6 0.5 . 1 . . . . . . . . 7224 1
175 . 1 1 15 15 VAL HB H 1 1.86 0.01 . 1 . . . . . . . . 7224 1
176 . 1 1 15 15 VAL HG11 H 1 0.95 0.01 . 2 . . . . . . . . 7224 1
177 . 1 1 15 15 VAL HG12 H 1 0.95 0.01 . 2 . . . . . . . . 7224 1
178 . 1 1 15 15 VAL HG13 H 1 0.95 0.01 . 2 . . . . . . . . 7224 1
179 . 1 1 15 15 VAL HG21 H 1 0.96 0.01 . 2 . . . . . . . . 7224 1
180 . 1 1 15 15 VAL HG22 H 1 0.96 0.01 . 2 . . . . . . . . 7224 1
181 . 1 1 15 15 VAL HG23 H 1 0.96 0.01 . 2 . . . . . . . . 7224 1
182 . 1 1 15 15 VAL CG1 C 13 21.0 0.5 . 1 . . . . . . . . 7224 1
183 . 1 1 15 15 VAL CG2 C 13 21.0 0.5 . 1 . . . . . . . . 7224 1
184 . 1 1 16 16 SER N N 15 125.1 0.5 . 1 . . . . . . . . 7224 1
185 . 1 1 16 16 SER H H 1 8.68 0.01 . 1 . . . . . . . . 7224 1
186 . 1 1 16 16 SER CA C 13 59.4 0.5 . 1 . . . . . . . . 7224 1
187 . 1 1 16 16 SER HA H 1 2.91 0.01 . 1 . . . . . . . . 7224 1
188 . 1 1 16 16 SER CB C 13 62.8 0.5 . 1 . . . . . . . . 7224 1
189 . 1 1 16 16 SER HB2 H 1 3.86 0.01 . 2 . . . . . . . . 7224 1
190 . 1 1 16 16 SER HB3 H 1 3.93 0.01 . 2 . . . . . . . . 7224 1
191 . 1 1 17 17 ARG N N 15 118.9 0.5 . 1 . . . . . . . . 7224 1
192 . 1 1 17 17 ARG H H 1 8.25 0.01 . 1 . . . . . . . . 7224 1
193 . 1 1 17 17 ARG CA C 13 60.7 0.5 . 1 . . . . . . . . 7224 1
194 . 1 1 17 17 ARG HA H 1 3.66 0.01 . 1 . . . . . . . . 7224 1
195 . 1 1 17 17 ARG CB C 13 28.0 0.5 . 1 . . . . . . . . 7224 1
196 . 1 1 17 17 ARG HB2 H 1 1.65 0.01 . 2 . . . . . . . . 7224 1
197 . 1 1 17 17 ARG HB3 H 1 1.58 0.01 . 2 . . . . . . . . 7224 1
198 . 1 1 17 17 ARG CG C 13 28.1 0.5 . 1 . . . . . . . . 7224 1
199 . 1 1 17 17 ARG HG2 H 1 2.00 0.01 . 2 . . . . . . . . 7224 1
200 . 1 1 17 17 ARG HG3 H 1 2.26 0.01 . 2 . . . . . . . . 7224 1
201 . 1 1 17 17 ARG CD C 13 43.3 0.5 . 1 . . . . . . . . 7224 1
202 . 1 1 17 17 ARG HD2 H 1 3.18 0.01 . 1 . . . . . . . . 7224 1
203 . 1 1 17 17 ARG HD3 H 1 3.18 0.01 . 1 . . . . . . . . 7224 1
204 . 1 1 18 18 LYS N N 15 119.0 0.5 . 1 . . . . . . . . 7224 1
205 . 1 1 18 18 LYS H H 1 7.62 0.01 . 1 . . . . . . . . 7224 1
206 . 1 1 18 18 LYS CA C 13 57.9 0.5 . 1 . . . . . . . . 7224 1
207 . 1 1 18 18 LYS HA H 1 4.25 0.01 . 1 . . . . . . . . 7224 1
208 . 1 1 18 18 LYS CB C 13 33.9 0.5 . 1 . . . . . . . . 7224 1
209 . 1 1 18 18 LYS HB2 H 1 1.65 0.01 . 2 . . . . . . . . 7224 1
210 . 1 1 18 18 LYS HB3 H 1 1.56 0.01 . 2 . . . . . . . . 7224 1
211 . 1 1 18 18 LYS CG C 13 24.4 0.5 . 1 . . . . . . . . 7224 1
212 . 1 1 18 18 LYS HG2 H 1 1.22 0.01 . 2 . . . . . . . . 7224 1
213 . 1 1 18 18 LYS HG3 H 1 1.36 0.01 . 2 . . . . . . . . 7224 1
214 . 1 1 18 18 LYS CD C 13 29.2 0.5 . 1 . . . . . . . . 7224 1
215 . 1 1 18 18 LYS HD2 H 1 1.69 0.01 . 2 . . . . . . . . 7224 1
216 . 1 1 18 18 LYS HD3 H 1 1.80 0.01 . 2 . . . . . . . . 7224 1
217 . 1 1 18 18 LYS CE C 13 41.8 0.5 . 1 . . . . . . . . 7224 1
218 . 1 1 18 18 LYS HE2 H 1 2.93 0.01 . 1 . . . . . . . . 7224 1
219 . 1 1 18 18 LYS HE3 H 1 2.93 0.01 . 1 . . . . . . . . 7224 1
220 . 1 1 19 19 ASP N N 15 116.7 0.5 . 1 . . . . . . . . 7224 1
221 . 1 1 19 19 ASP H H 1 8.79 0.01 . 1 . . . . . . . . 7224 1
222 . 1 1 19 19 ASP CA C 13 56.4 0.5 . 1 . . . . . . . . 7224 1
223 . 1 1 19 19 ASP HA H 1 4.44 0.01 . 1 . . . . . . . . 7224 1
224 . 1 1 19 19 ASP CB C 13 42.2 0.5 . 1 . . . . . . . . 7224 1
225 . 1 1 19 19 ASP HB2 H 1 2.43 0.01 . 1 . . . . . . . . 7224 1
226 . 1 1 19 19 ASP HB3 H 1 2.43 0.01 . 1 . . . . . . . . 7224 1
227 . 1 1 20 20 PHE N N 15 111.1 0.5 . 1 . . . . . . . . 7224 1
228 . 1 1 20 20 PHE H H 1 6.96 0.01 . 1 . . . . . . . . 7224 1
229 . 1 1 20 20 PHE CA C 13 55.7 0.5 . 1 . . . . . . . . 7224 1
230 . 1 1 20 20 PHE HA H 1 4.86 0.01 . 1 . . . . . . . . 7224 1
231 . 1 1 20 20 PHE CB C 13 40.9 0.5 . 1 . . . . . . . . 7224 1
232 . 1 1 20 20 PHE HB2 H 1 3.24 0.01 . 2 . . . . . . . . 7224 1
233 . 1 1 20 20 PHE HB3 H 1 3.19 0.01 . 2 . . . . . . . . 7224 1
234 . 1 1 20 20 PHE HD1 H 1 6.75 0.01 . 1 . . . . . . . . 7224 1
235 . 1 1 20 20 PHE HD2 H 1 6.75 0.01 . 1 . . . . . . . . 7224 1
236 . 1 1 20 20 PHE HE1 H 1 7.20 0.01 . 1 . . . . . . . . 7224 1
237 . 1 1 20 20 PHE HE2 H 1 7.20 0.01 . 1 . . . . . . . . 7224 1
238 . 1 1 20 20 PHE CD1 C 13 130.8 0.5 . 1 . . . . . . . . 7224 1
239 . 1 1 20 20 PHE CE1 C 13 130.3 0.5 . 1 . . . . . . . . 7224 1
240 . 1 1 20 20 PHE CZ C 13 129.3 0.5 . 1 . . . . . . . . 7224 1
241 . 1 1 20 20 PHE HZ H 1 7.17 0.01 . 1 . . . . . . . . 7224 1
242 . 1 1 21 21 GLU N N 15 119.8 0.5 . 1 . . . . . . . . 7224 1
243 . 1 1 21 21 GLU H H 1 9.04 0.01 . 1 . . . . . . . . 7224 1
244 . 1 1 21 21 GLU CA C 13 56.0 0.5 . 1 . . . . . . . . 7224 1
245 . 1 1 21 21 GLU HA H 1 4.80 0.01 . 1 . . . . . . . . 7224 1
246 . 1 1 21 21 GLU CB C 13 34.0 0.5 . 1 . . . . . . . . 7224 1
247 . 1 1 21 21 GLU HB2 H 1 1.86 0.01 . 2 . . . . . . . . 7224 1
248 . 1 1 21 21 GLU HB3 H 1 1.96 0.01 . 2 . . . . . . . . 7224 1
249 . 1 1 21 21 GLU CG C 13 36.4 0.5 . 1 . . . . . . . . 7224 1
250 . 1 1 21 21 GLU HG2 H 1 2.20 0.01 . 1 . . . . . . . . 7224 1
251 . 1 1 21 21 GLU HG3 H 1 2.20 0.01 . 1 . . . . . . . . 7224 1
252 . 1 1 22 22 LEU N N 15 126.0 0.5 . 1 . . . . . . . . 7224 1
253 . 1 1 22 22 LEU H H 1 9.29 0.01 . 1 . . . . . . . . 7224 1
254 . 1 1 22 22 LEU CA C 13 53.1 0.5 . 1 . . . . . . . . 7224 1
255 . 1 1 22 22 LEU HA H 1 5.31 0.01 . 1 . . . . . . . . 7224 1
256 . 1 1 22 22 LEU CB C 13 42.6 0.5 . 1 . . . . . . . . 7224 1
257 . 1 1 22 22 LEU HB2 H 1 1.99 0.01 . 2 . . . . . . . . 7224 1
258 . 1 1 22 22 LEU HB3 H 1 1.44 0.01 . 2 . . . . . . . . 7224 1
259 . 1 1 22 22 LEU CG C 13 27.3 0.5 . 1 . . . . . . . . 7224 1
260 . 1 1 22 22 LEU HG H 1 2.14 0.01 . 1 . . . . . . . . 7224 1
261 . 1 1 22 22 LEU HD11 H 1 1.19 0.01 . 2 . . . . . . . . 7224 1
262 . 1 1 22 22 LEU HD12 H 1 1.19 0.01 . 2 . . . . . . . . 7224 1
263 . 1 1 22 22 LEU HD13 H 1 1.19 0.01 . 2 . . . . . . . . 7224 1
264 . 1 1 22 22 LEU HD21 H 1 0.94 0.01 . 2 . . . . . . . . 7224 1
265 . 1 1 22 22 LEU HD22 H 1 0.94 0.01 . 2 . . . . . . . . 7224 1
266 . 1 1 22 22 LEU HD23 H 1 0.94 0.01 . 2 . . . . . . . . 7224 1
267 . 1 1 22 22 LEU CD1 C 13 25.8 0.5 . 1 . . . . . . . . 7224 1
268 . 1 1 22 22 LEU CD2 C 13 23.9 0.5 . 1 . . . . . . . . 7224 1
269 . 1 1 23 23 ARG N N 15 121.8 0.5 . 1 . . . . . . . . 7224 1
270 . 1 1 23 23 ARG H H 1 8.60 0.01 . 1 . . . . . . . . 7224 1
271 . 1 1 23 23 ARG CA C 13 54.6 0.5 . 1 . . . . . . . . 7224 1
272 . 1 1 23 23 ARG HA H 1 4.48 0.01 . 1 . . . . . . . . 7224 1
273 . 1 1 23 23 ARG CB C 13 34.4 0.5 . 1 . . . . . . . . 7224 1
274 . 1 1 23 23 ARG HB2 H 1 1.27 0.01 . 1 . . . . . . . . 7224 1
275 . 1 1 23 23 ARG HB3 H 1 1.27 0.01 . 1 . . . . . . . . 7224 1
276 . 1 1 23 23 ARG CG C 13 27.7 0.5 . 1 . . . . . . . . 7224 1
277 . 1 1 23 23 ARG HG2 H 1 1.39 0.01 . 2 . . . . . . . . 7224 1
278 . 1 1 23 23 ARG HG3 H 1 1.47 0.01 . 2 . . . . . . . . 7224 1
279 . 1 1 23 23 ARG CD C 13 43.2 0.5 . 1 . . . . . . . . 7224 1
280 . 1 1 23 23 ARG HD2 H 1 3.15 0.01 . 1 . . . . . . . . 7224 1
281 . 1 1 23 23 ARG HD3 H 1 3.15 0.01 . 1 . . . . . . . . 7224 1
282 . 1 1 24 24 ASN N N 15 118.9 0.5 . 1 . . . . . . . . 7224 1
283 . 1 1 24 24 ASN H H 1 8.39 0.01 . 1 . . . . . . . . 7224 1
284 . 1 1 24 24 ASN CA C 13 52.9 0.5 . 1 . . . . . . . . 7224 1
285 . 1 1 24 24 ASN HA H 1 5.08 0.01 . 1 . . . . . . . . 7224 1
286 . 1 1 24 24 ASN CB C 13 40.1 0.5 . 1 . . . . . . . . 7224 1
287 . 1 1 24 24 ASN HB2 H 1 2.88 0.01 . 2 . . . . . . . . 7224 1
288 . 1 1 24 24 ASN HB3 H 1 2.69 0.01 . 2 . . . . . . . . 7224 1
289 . 1 1 24 24 ASN ND2 N 15 112.3 0.5 . 1 . . . . . . . . 7224 1
290 . 1 1 24 24 ASN HD21 H 1 7.52 0.01 . 2 . . . . . . . . 7224 1
291 . 1 1 24 24 ASN HD22 H 1 7.01 0.01 . 2 . . . . . . . . 7224 1
292 . 1 1 25 25 ASP N N 15 124.9 0.5 . 1 . . . . . . . . 7224 1
293 . 1 1 25 25 ASP H H 1 9.10 0.01 . 1 . . . . . . . . 7224 1
294 . 1 1 25 25 ASP CA C 13 53.7 0.5 . 1 . . . . . . . . 7224 1
295 . 1 1 25 25 ASP HA H 1 4.94 0.01 . 1 . . . . . . . . 7224 1
296 . 1 1 25 25 ASP CB C 13 41.8 0.5 . 1 . . . . . . . . 7224 1
297 . 1 1 25 25 ASP HB2 H 1 2.81 0.01 . 2 . . . . . . . . 7224 1
298 . 1 1 25 25 ASP HB3 H 1 2.97 0.01 . 2 . . . . . . . . 7224 1
299 . 1 1 26 26 GLY N N 15 108.3 0.5 . 1 . . . . . . . . 7224 1
300 . 1 1 26 26 GLY H H 1 8.73 0.01 . 1 . . . . . . . . 7224 1
301 . 1 1 26 26 GLY CA C 13 45.6 0.5 . 1 . . . . . . . . 7224 1
302 . 1 1 26 26 GLY HA2 H 1 4.33 0.01 . 2 . . . . . . . . 7224 1
303 . 1 1 26 26 GLY HA3 H 1 3.71 0.01 . 2 . . . . . . . . 7224 1
304 . 1 1 27 27 ASN N N 15 118.5 0.5 . 1 . . . . . . . . 7224 1
305 . 1 1 27 27 ASN H H 1 8.56 0.01 . 1 . . . . . . . . 7224 1
306 . 1 1 27 27 ASN CA C 13 52.8 0.5 . 1 . . . . . . . . 7224 1
307 . 1 1 27 27 ASN HA H 1 5.04 0.01 . 1 . . . . . . . . 7224 1
308 . 1 1 27 27 ASN CB C 13 39.8 0.5 . 1 . . . . . . . . 7224 1
309 . 1 1 27 27 ASN HB2 H 1 2.68 0.01 . 2 . . . . . . . . 7224 1
310 . 1 1 27 27 ASN HB3 H 1 2.96 0.01 . 2 . . . . . . . . 7224 1
311 . 1 1 27 27 ASN ND2 N 15 113.8 0.5 . 1 . . . . . . . . 7224 1
312 . 1 1 27 27 ASN HD21 H 1 7.67 0.01 . 2 . . . . . . . . 7224 1
313 . 1 1 27 27 ASN HD22 H 1 6.90 0.01 . 2 . . . . . . . . 7224 1
314 . 1 1 28 28 GLY N N 15 109.1 0.5 . 1 . . . . . . . . 7224 1
315 . 1 1 28 28 GLY H H 1 8.00 0.01 . 1 . . . . . . . . 7224 1
316 . 1 1 28 28 GLY CA C 13 44.5 0.5 . 1 . . . . . . . . 7224 1
317 . 1 1 28 28 GLY HA2 H 1 3.87 0.01 . 2 . . . . . . . . 7224 1
318 . 1 1 28 28 GLY HA3 H 1 4.46 0.01 . 2 . . . . . . . . 7224 1
319 . 1 1 29 29 SER N N 15 116.7 0.5 . 1 . . . . . . . . 7224 1
320 . 1 1 29 29 SER H H 1 8.33 0.01 . 1 . . . . . . . . 7224 1
321 . 1 1 29 29 SER CA C 13 58.3 0.5 . 1 . . . . . . . . 7224 1
322 . 1 1 29 29 SER HA H 1 5.27 0.01 . 1 . . . . . . . . 7224 1
323 . 1 1 29 29 SER CB C 13 64.8 0.5 . 1 . . . . . . . . 7224 1
324 . 1 1 29 29 SER HB2 H 1 3.75 0.01 . 1 . . . . . . . . 7224 1
325 . 1 1 29 29 SER HB3 H 1 3.75 0.01 . 1 . . . . . . . . 7224 1
326 . 1 1 30 30 TYR N N 15 120.3 0.5 . 1 . . . . . . . . 7224 1
327 . 1 1 30 30 TYR H H 1 9.00 0.01 . 1 . . . . . . . . 7224 1
328 . 1 1 30 30 TYR CA C 13 55.9 0.5 . 1 . . . . . . . . 7224 1
329 . 1 1 30 30 TYR HA H 1 4.78 0.01 . 1 . . . . . . . . 7224 1
330 . 1 1 30 30 TYR CB C 13 40.8 0.5 . 1 . . . . . . . . 7224 1
331 . 1 1 30 30 TYR HB2 H 1 2.92 0.01 . 2 . . . . . . . . 7224 1
332 . 1 1 30 30 TYR HB3 H 1 2.96 0.01 . 2 . . . . . . . . 7224 1
333 . 1 1 30 30 TYR HD1 H 1 6.96 0.01 . 1 . . . . . . . . 7224 1
334 . 1 1 30 30 TYR HD2 H 1 6.96 0.01 . 1 . . . . . . . . 7224 1
335 . 1 1 30 30 TYR HE1 H 1 6.71 0.01 . 1 . . . . . . . . 7224 1
336 . 1 1 30 30 TYR HE2 H 1 6.71 0.01 . 1 . . . . . . . . 7224 1
337 . 1 1 30 30 TYR CD1 C 13 133.7 0.5 . 1 . . . . . . . . 7224 1
338 . 1 1 30 30 TYR CE1 C 13 116.8 0.5 . 1 . . . . . . . . 7224 1
339 . 1 1 31 31 ILE N N 15 119.8 0.5 . 1 . . . . . . . . 7224 1
340 . 1 1 31 31 ILE H H 1 8.95 0.01 . 1 . . . . . . . . 7224 1
341 . 1 1 31 31 ILE CA C 13 62.7 0.5 . 1 . . . . . . . . 7224 1
342 . 1 1 31 31 ILE HA H 1 4.08 0.01 . 1 . . . . . . . . 7224 1
343 . 1 1 31 31 ILE CB C 13 38.2 0.5 . 1 . . . . . . . . 7224 1
344 . 1 1 31 31 ILE HB H 1 1.86 0.01 . 1 . . . . . . . . 7224 1
345 . 1 1 31 31 ILE HG21 H 1 1.07 0.01 . 1 . . . . . . . . 7224 1
346 . 1 1 31 31 ILE HG22 H 1 1.07 0.01 . 1 . . . . . . . . 7224 1
347 . 1 1 31 31 ILE HG23 H 1 1.07 0.01 . 1 . . . . . . . . 7224 1
348 . 1 1 31 31 ILE CG2 C 13 19.1 0.5 . 1 . . . . . . . . 7224 1
349 . 1 1 31 31 ILE CG1 C 13 28.5 0.5 . 1 . . . . . . . . 7224 1
350 . 1 1 31 31 ILE HG12 H 1 0.81 0.01 . 2 . . . . . . . . 7224 1
351 . 1 1 31 31 ILE HG13 H 1 1.84 0.01 . 2 . . . . . . . . 7224 1
352 . 1 1 31 31 ILE HD11 H 1 0.75 0.01 . 1 . . . . . . . . 7224 1
353 . 1 1 31 31 ILE HD12 H 1 0.75 0.01 . 1 . . . . . . . . 7224 1
354 . 1 1 31 31 ILE HD13 H 1 0.75 0.01 . 1 . . . . . . . . 7224 1
355 . 1 1 31 31 ILE CD1 C 13 14.0 0.5 . 1 . . . . . . . . 7224 1
356 . 1 1 32 32 GLU N N 15 132.2 0.5 . 1 . . . . . . . . 7224 1
357 . 1 1 32 32 GLU H H 1 8.90 0.01 . 1 . . . . . . . . 7224 1
358 . 1 1 32 32 GLU CA C 13 57.1 0.5 . 1 . . . . . . . . 7224 1
359 . 1 1 32 32 GLU HA H 1 4.63 0.01 . 1 . . . . . . . . 7224 1
360 . 1 1 32 32 GLU CB C 13 31.5 0.5 . 1 . . . . . . . . 7224 1
361 . 1 1 32 32 GLU HB2 H 1 1.76 0.01 . 1 . . . . . . . . 7224 1
362 . 1 1 32 32 GLU HB3 H 1 1.76 0.01 . 1 . . . . . . . . 7224 1
363 . 1 1 32 32 GLU CG C 13 35.6 0.5 . 1 . . . . . . . . 7224 1
364 . 1 1 32 32 GLU HG2 H 1 2.25 0.01 . 1 . . . . . . . . 7224 1
365 . 1 1 32 32 GLU HG3 H 1 2.25 0.01 . 1 . . . . . . . . 7224 1
366 . 1 1 33 33 LYS N N 15 115.9 0.5 . 1 . . . . . . . . 7224 1
367 . 1 1 33 33 LYS H H 1 7.97 0.01 . 1 . . . . . . . . 7224 1
368 . 1 1 33 33 LYS CA C 13 55.1 0.5 . 1 . . . . . . . . 7224 1
369 . 1 1 33 33 LYS HA H 1 4.74 0.01 . 1 . . . . . . . . 7224 1
370 . 1 1 33 33 LYS CB C 13 36.5 0.5 . 1 . . . . . . . . 7224 1
371 . 1 1 33 33 LYS HB2 H 1 1.68 0.01 . 1 . . . . . . . . 7224 1
372 . 1 1 33 33 LYS HB3 H 1 1.68 0.01 . 1 . . . . . . . . 7224 1
373 . 1 1 33 33 LYS CG C 13 24.9 0.5 . 1 . . . . . . . . 7224 1
374 . 1 1 33 33 LYS HG2 H 1 1.34 0.01 . 2 . . . . . . . . 7224 1
375 . 1 1 33 33 LYS HG3 H 1 1.41 0.01 . 2 . . . . . . . . 7224 1
376 . 1 1 33 33 LYS CD C 13 29.2 0.5 . 1 . . . . . . . . 7224 1
377 . 1 1 33 33 LYS HD2 H 1 1.71 0.01 . 2 . . . . . . . . 7224 1
378 . 1 1 33 33 LYS HD3 H 1 1.64 0.01 . 2 . . . . . . . . 7224 1
379 . 1 1 33 33 LYS CE C 13 42.0 0.5 . 1 . . . . . . . . 7224 1
380 . 1 1 33 33 LYS HE2 H 1 2.91 0.01 . 2 . . . . . . . . 7224 1
381 . 1 1 33 33 LYS HE3 H 1 2.96 0.01 . 2 . . . . . . . . 7224 1
382 . 1 1 34 34 TRP N N 15 125.7 0.5 . 1 . . . . . . . . 7224 1
383 . 1 1 34 34 TRP H H 1 9.08 0.01 . 1 . . . . . . . . 7224 1
384 . 1 1 34 34 TRP CA C 13 57.1 0.5 . 1 . . . . . . . . 7224 1
385 . 1 1 34 34 TRP HA H 1 4.92 0.01 . 1 . . . . . . . . 7224 1
386 . 1 1 34 34 TRP CB C 13 32.4 0.5 . 1 . . . . . . . . 7224 1
387 . 1 1 34 34 TRP HB2 H 1 2.92 0.01 . 2 . . . . . . . . 7224 1
388 . 1 1 34 34 TRP HB3 H 1 3.43 0.01 . 2 . . . . . . . . 7224 1
389 . 1 1 34 34 TRP CD1 C 13 127.5 0.5 . 1 . . . . . . . . 7224 1
390 . 1 1 34 34 TRP CE3 C 13 119.5 0.5 . 1 . . . . . . . . 7224 1
391 . 1 1 34 34 TRP NE1 N 15 130.9 0.5 . 1 . . . . . . . . 7224 1
392 . 1 1 34 34 TRP HD1 H 1 7.29 0.01 . 1 . . . . . . . . 7224 1
393 . 1 1 34 34 TRP HE3 H 1 7.64 0.01 . 1 . . . . . . . . 7224 1
394 . 1 1 34 34 TRP CZ3 C 13 120.0 0.5 . 1 . . . . . . . . 7224 1
395 . 1 1 34 34 TRP CZ2 C 13 115.1 0.5 . 1 . . . . . . . . 7224 1
396 . 1 1 34 34 TRP HE1 H 1 9.68 0.01 . 1 . . . . . . . . 7224 1
397 . 1 1 34 34 TRP HZ3 H 1 6.58 0.01 . 1 . . . . . . . . 7224 1
398 . 1 1 34 34 TRP CH2 C 13 123.7 0.5 . 1 . . . . . . . . 7224 1
399 . 1 1 34 34 TRP HZ2 H 1 6.94 0.01 . 1 . . . . . . . . 7224 1
400 . 1 1 34 34 TRP HH2 H 1 6.90 0.01 . 1 . . . . . . . . 7224 1
401 . 1 1 35 35 ASN N N 15 124.0 0.5 . 1 . . . . . . . . 7224 1
402 . 1 1 35 35 ASN H H 1 8.51 0.01 . 1 . . . . . . . . 7224 1
403 . 1 1 35 35 ASN CA C 13 52.3 0.5 . 1 . . . . . . . . 7224 1
404 . 1 1 35 35 ASN HA H 1 5.09 0.01 . 1 . . . . . . . . 7224 1
405 . 1 1 35 35 ASN CB C 13 39.9 0.5 . 1 . . . . . . . . 7224 1
406 . 1 1 35 35 ASN HB2 H 1 2.50 0.01 . 2 . . . . . . . . 7224 1
407 . 1 1 35 35 ASN HB3 H 1 3.02 0.01 . 2 . . . . . . . . 7224 1
408 . 1 1 35 35 ASN ND2 N 15 112.0 0.5 . 1 . . . . . . . . 7224 1
409 . 1 1 35 35 ASN HD21 H 1 7.20 0.01 . 2 . . . . . . . . 7224 1
410 . 1 1 35 35 ASN HD22 H 1 6.73 0.01 . 2 . . . . . . . . 7224 1
411 . 1 1 36 36 LEU N N 15 119.8 0.5 . 1 . . . . . . . . 7224 1
412 . 1 1 36 36 LEU H H 1 5.47 0.01 . 1 . . . . . . . . 7224 1
413 . 1 1 36 36 LEU CA C 13 54.4 0.5 . 1 . . . . . . . . 7224 1
414 . 1 1 36 36 LEU HA H 1 4.05 0.01 . 1 . . . . . . . . 7224 1
415 . 1 1 36 36 LEU CB C 13 43.1 0.5 . 1 . . . . . . . . 7224 1
416 . 1 1 36 36 LEU HB2 H 1 0.34 0.01 . 2 . . . . . . . . 7224 1
417 . 1 1 36 36 LEU HB3 H 1 0.97 0.01 . 2 . . . . . . . . 7224 1
418 . 1 1 36 36 LEU CG C 13 27.3 0.5 . 1 . . . . . . . . 7224 1
419 . 1 1 36 36 LEU HG H 1 0.85 0.01 . 1 . . . . . . . . 7224 1
420 . 1 1 36 36 LEU HD11 H 1 -0.37 0.01 . 2 . . . . . . . . 7224 1
421 . 1 1 36 36 LEU HD12 H 1 -0.37 0.01 . 2 . . . . . . . . 7224 1
422 . 1 1 36 36 LEU HD13 H 1 -0.37 0.01 . 2 . . . . . . . . 7224 1
423 . 1 1 36 36 LEU HD21 H 1 0.32 0.01 . 2 . . . . . . . . 7224 1
424 . 1 1 36 36 LEU HD22 H 1 0.32 0.01 . 2 . . . . . . . . 7224 1
425 . 1 1 36 36 LEU HD23 H 1 0.32 0.01 . 2 . . . . . . . . 7224 1
426 . 1 1 36 36 LEU CD1 C 13 24.0 0.5 . 1 . . . . . . . . 7224 1
427 . 1 1 36 36 LEU CD2 C 13 24.0 0.5 . 1 . . . . . . . . 7224 1
428 . 1 1 37 37 ARG N N 15 121.4 0.5 . 1 . . . . . . . . 7224 1
429 . 1 1 37 37 ARG H H 1 8.39 0.01 . 1 . . . . . . . . 7224 1
430 . 1 1 37 37 ARG CA C 13 55.7 0.5 . 1 . . . . . . . . 7224 1
431 . 1 1 37 37 ARG HA H 1 4.31 0.01 . 1 . . . . . . . . 7224 1
432 . 1 1 37 37 ARG CB C 13 28.1 0.5 . 1 . . . . . . . . 7224 1
433 . 1 1 37 37 ARG HB2 H 1 1.72 0.01 . 2 . . . . . . . . 7224 1
434 . 1 1 37 37 ARG HB3 H 1 1.88 0.01 . 2 . . . . . . . . 7224 1
435 . 1 1 37 37 ARG CG C 13 27.1 0.5 . 1 . . . . . . . . 7224 1
436 . 1 1 37 37 ARG HG2 H 1 1.63 0.01 . 2 . . . . . . . . 7224 1
437 . 1 1 37 37 ARG HG3 H 1 1.69 0.01 . 2 . . . . . . . . 7224 1
438 . 1 1 37 37 ARG CD C 13 43.2 0.5 . 1 . . . . . . . . 7224 1
439 . 1 1 37 37 ARG HD2 H 1 3.21 0.01 . 1 . . . . . . . . 7224 1
440 . 1 1 37 37 ARG HD3 H 1 3.21 0.01 . 1 . . . . . . . . 7224 1
441 . 1 1 38 38 ALA N N 15 123.6 0.5 . 1 . . . . . . . . 7224 1
442 . 1 1 38 38 ALA H H 1 7.76 0.01 . 1 . . . . . . . . 7224 1
443 . 1 1 38 38 ALA CA C 13 50.6 0.5 . 1 . . . . . . . . 7224 1
444 . 1 1 38 38 ALA HA H 1 4.70 0.01 . 1 . . . . . . . . 7224 1
445 . 1 1 38 38 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 7224 1
446 . 1 1 38 38 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 7224 1
447 . 1 1 38 38 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 7224 1
448 . 1 1 38 38 ALA CB C 13 19.2 0.5 . 1 . . . . . . . . 7224 1
449 . 1 1 39 39 PRO CD C 13 50.4 0.5 . 1 . . . . . . . . 7224 1
450 . 1 1 39 39 PRO CA C 13 62.7 0.5 . 1 . . . . . . . . 7224 1
451 . 1 1 39 39 PRO HA H 1 4.42 0.01 . 1 . . . . . . . . 7224 1
452 . 1 1 39 39 PRO CB C 13 31.9 0.5 . 1 . . . . . . . . 7224 1
453 . 1 1 39 39 PRO HB2 H 1 1.87 0.01 . 2 . . . . . . . . 7224 1
454 . 1 1 39 39 PRO HB3 H 1 2.31 0.01 . 2 . . . . . . . . 7224 1
455 . 1 1 39 39 PRO CG C 13 27.3 0.5 . 1 . . . . . . . . 7224 1
456 . 1 1 39 39 PRO HG2 H 1 2.03 0.01 . 1 . . . . . . . . 7224 1
457 . 1 1 39 39 PRO HG3 H 1 2.03 0.01 . 1 . . . . . . . . 7224 1
458 . 1 1 39 39 PRO HD2 H 1 3.71 0.01 . 2 . . . . . . . . 7224 1
459 . 1 1 39 39 PRO HD3 H 1 3.91 0.01 . 2 . . . . . . . . 7224 1
460 . 1 1 40 40 LEU N N 15 125.1 0.5 . 1 . . . . . . . . 7224 1
461 . 1 1 40 40 LEU H H 1 8.14 0.01 . 1 . . . . . . . . 7224 1
462 . 1 1 40 40 LEU CA C 13 53.1 0.5 . 1 . . . . . . . . 7224 1
463 . 1 1 40 40 LEU HA H 1 2.79 0.01 . 1 . . . . . . . . 7224 1
464 . 1 1 40 40 LEU CB C 13 42.4 0.5 . 1 . . . . . . . . 7224 1
465 . 1 1 40 40 LEU HB2 H 1 1.42 0.01 . 2 . . . . . . . . 7224 1
466 . 1 1 40 40 LEU HB3 H 1 1.25 0.01 . 2 . . . . . . . . 7224 1
467 . 1 1 40 40 LEU CG C 13 26.1 0.5 . 1 . . . . . . . . 7224 1
468 . 1 1 40 40 LEU HG H 1 1.20 0.01 . 1 . . . . . . . . 7224 1
469 . 1 1 40 40 LEU HD11 H 1 0.60 0.01 . 2 . . . . . . . . 7224 1
470 . 1 1 40 40 LEU HD12 H 1 0.60 0.01 . 2 . . . . . . . . 7224 1
471 . 1 1 40 40 LEU HD13 H 1 0.60 0.01 . 2 . . . . . . . . 7224 1
472 . 1 1 40 40 LEU HD21 H 1 0.72 0.01 . 2 . . . . . . . . 7224 1
473 . 1 1 40 40 LEU HD22 H 1 0.72 0.01 . 2 . . . . . . . . 7224 1
474 . 1 1 40 40 LEU HD23 H 1 0.72 0.01 . 2 . . . . . . . . 7224 1
475 . 1 1 40 40 LEU CD1 C 13 24.8 0.5 . 1 . . . . . . . . 7224 1
476 . 1 1 40 40 LEU CD2 C 13 25.5 0.5 . 1 . . . . . . . . 7224 1
477 . 1 1 41 41 PRO CD C 13 49.8 0.5 . 1 . . . . . . . . 7224 1
478 . 1 1 41 41 PRO CA C 13 62.3 0.5 . 1 . . . . . . . . 7224 1
479 . 1 1 41 41 PRO HA H 1 4.36 0.01 . 1 . . . . . . . . 7224 1
480 . 1 1 41 41 PRO CB C 13 32.7 0.5 . 1 . . . . . . . . 7224 1
481 . 1 1 41 41 PRO HB2 H 1 1.29 0.01 . 2 . . . . . . . . 7224 1
482 . 1 1 41 41 PRO HB3 H 1 2.07 0.01 . 2 . . . . . . . . 7224 1
483 . 1 1 41 41 PRO CG C 13 27.7 0.5 . 1 . . . . . . . . 7224 1
484 . 1 1 41 41 PRO HG2 H 1 1.41 0.01 . 2 . . . . . . . . 7224 1
485 . 1 1 41 41 PRO HG3 H 1 1.89 0.01 . 2 . . . . . . . . 7224 1
486 . 1 1 41 41 PRO HD2 H 1 2.12 0.01 . 2 . . . . . . . . 7224 1
487 . 1 1 41 41 PRO HD3 H 1 2.60 0.01 . 2 . . . . . . . . 7224 1
488 . 1 1 42 42 THR N N 15 111.9 0.5 . 1 . . . . . . . . 7224 1
489 . 1 1 42 42 THR H H 1 8.29 0.01 . 1 . . . . . . . . 7224 1
490 . 1 1 42 42 THR CA C 13 60.0 0.5 . 1 . . . . . . . . 7224 1
491 . 1 1 42 42 THR HA H 1 4.34 0.01 . 1 . . . . . . . . 7224 1
492 . 1 1 42 42 THR CB C 13 71.5 0.5 . 1 . . . . . . . . 7224 1
493 . 1 1 42 42 THR HB H 1 4.57 0.01 . 1 . . . . . . . . 7224 1
494 . 1 1 42 42 THR HG21 H 1 1.27 0.01 . 1 . . . . . . . . 7224 1
495 . 1 1 42 42 THR HG22 H 1 1.27 0.01 . 1 . . . . . . . . 7224 1
496 . 1 1 42 42 THR HG23 H 1 1.27 0.01 . 1 . . . . . . . . 7224 1
497 . 1 1 42 42 THR CG2 C 13 21.9 0.5 . 1 . . . . . . . . 7224 1
498 . 1 1 43 43 GLN N N 15 120.5 0.5 . 1 . . . . . . . . 7224 1
499 . 1 1 43 43 GLN H H 1 8.68 0.01 . 1 . . . . . . . . 7224 1
500 . 1 1 43 43 GLN CA C 13 59.3 0.5 . 1 . . . . . . . . 7224 1
501 . 1 1 43 43 GLN HA H 1 3.77 0.01 . 1 . . . . . . . . 7224 1
502 . 1 1 43 43 GLN CB C 13 27.6 0.5 . 1 . . . . . . . . 7224 1
503 . 1 1 43 43 GLN HB2 H 1 2.14 0.01 . 2 . . . . . . . . 7224 1
504 . 1 1 43 43 GLN HB3 H 1 1.92 0.01 . 2 . . . . . . . . 7224 1
505 . 1 1 43 43 GLN CG C 13 32.7 0.5 . 1 . . . . . . . . 7224 1
506 . 1 1 43 43 GLN HG2 H 1 2.34 0.01 . 2 . . . . . . . . 7224 1
507 . 1 1 43 43 GLN HG3 H 1 2.37 0.01 . 2 . . . . . . . . 7224 1
508 . 1 1 43 43 GLN NE2 N 15 111.5 0.5 . 1 . . . . . . . . 7224 1
509 . 1 1 43 43 GLN HE21 H 1 7.84 0.01 . 2 . . . . . . . . 7224 1
510 . 1 1 43 43 GLN HE22 H 1 6.57 0.01 . 2 . . . . . . . . 7224 1
511 . 1 1 44 44 ALA N N 15 118.3 0.5 . 1 . . . . . . . . 7224 1
512 . 1 1 44 44 ALA H H 1 8.09 0.01 . 1 . . . . . . . . 7224 1
513 . 1 1 44 44 ALA CA C 13 54.6 0.5 . 1 . . . . . . . . 7224 1
514 . 1 1 44 44 ALA HA H 1 4.02 0.01 . 1 . . . . . . . . 7224 1
515 . 1 1 44 44 ALA HB1 H 1 1.29 0.01 . 1 . . . . . . . . 7224 1
516 . 1 1 44 44 ALA HB2 H 1 1.29 0.01 . 1 . . . . . . . . 7224 1
517 . 1 1 44 44 ALA HB3 H 1 1.29 0.01 . 1 . . . . . . . . 7224 1
518 . 1 1 44 44 ALA CB C 13 18.2 0.5 . 1 . . . . . . . . 7224 1
519 . 1 1 45 45 GLU N N 15 119.4 0.5 . 1 . . . . . . . . 7224 1
520 . 1 1 45 45 GLU H H 1 7.35 0.01 . 1 . . . . . . . . 7224 1
521 . 1 1 45 45 GLU CA C 13 59.0 0.5 . 1 . . . . . . . . 7224 1
522 . 1 1 45 45 GLU HA H 1 3.42 0.01 . 1 . . . . . . . . 7224 1
523 . 1 1 45 45 GLU CB C 13 29.4 0.5 . 1 . . . . . . . . 7224 1
524 . 1 1 45 45 GLU HB2 H 1 1.72 0.01 . 2 . . . . . . . . 7224 1
525 . 1 1 45 45 GLU HB3 H 1 0.98 0.01 . 2 . . . . . . . . 7224 1
526 . 1 1 45 45 GLU CG C 13 37.5 0.5 . 1 . . . . . . . . 7224 1
527 . 1 1 45 45 GLU HG2 H 1 2.02 0.01 . 2 . . . . . . . . 7224 1
528 . 1 1 45 45 GLU HG3 H 1 2.09 0.01 . 2 . . . . . . . . 7224 1
529 . 1 1 46 46 LEU N N 15 117.6 0.5 . 1 . . . . . . . . 7224 1
530 . 1 1 46 46 LEU H H 1 7.59 0.01 . 1 . . . . . . . . 7224 1
531 . 1 1 46 46 LEU CA C 13 58.1 0.5 . 1 . . . . . . . . 7224 1
532 . 1 1 46 46 LEU HA H 1 3.31 0.01 . 1 . . . . . . . . 7224 1
533 . 1 1 46 46 LEU CB C 13 41.7 0.5 . 1 . . . . . . . . 7224 1
534 . 1 1 46 46 LEU HB2 H 1 1.74 0.01 . 2 . . . . . . . . 7224 1
535 . 1 1 46 46 LEU HB3 H 1 1.16 0.01 . 2 . . . . . . . . 7224 1
536 . 1 1 46 46 LEU CG C 13 26.5 0.5 . 1 . . . . . . . . 7224 1
537 . 1 1 46 46 LEU HG H 1 1.22 0.01 . 1 . . . . . . . . 7224 1
538 . 1 1 46 46 LEU HD11 H 1 0.60 0.01 . 2 . . . . . . . . 7224 1
539 . 1 1 46 46 LEU HD12 H 1 0.60 0.01 . 2 . . . . . . . . 7224 1
540 . 1 1 46 46 LEU HD13 H 1 0.60 0.01 . 2 . . . . . . . . 7224 1
541 . 1 1 46 46 LEU HD21 H 1 0.77 0.01 . 2 . . . . . . . . 7224 1
542 . 1 1 46 46 LEU HD22 H 1 0.77 0.01 . 2 . . . . . . . . 7224 1
543 . 1 1 46 46 LEU HD23 H 1 0.77 0.01 . 2 . . . . . . . . 7224 1
544 . 1 1 46 46 LEU CD1 C 13 25.4 0.5 . 1 . . . . . . . . 7224 1
545 . 1 1 46 46 LEU CD2 C 13 24.0 0.5 . 1 . . . . . . . . 7224 1
546 . 1 1 47 47 GLU N N 15 116.0 0.5 . 1 . . . . . . . . 7224 1
547 . 1 1 47 47 GLU H H 1 7.98 0.01 . 1 . . . . . . . . 7224 1
548 . 1 1 47 47 GLU CA C 13 59.5 0.5 . 1 . . . . . . . . 7224 1
549 . 1 1 47 47 GLU HA H 1 4.03 0.01 . 1 . . . . . . . . 7224 1
550 . 1 1 47 47 GLU CB C 13 29.2 0.5 . 1 . . . . . . . . 7224 1
551 . 1 1 47 47 GLU HB2 H 1 2.06 0.01 . 1 . . . . . . . . 7224 1
552 . 1 1 47 47 GLU HB3 H 1 2.06 0.01 . 1 . . . . . . . . 7224 1
553 . 1 1 47 47 GLU CG C 13 36.4 0.5 . 1 . . . . . . . . 7224 1
554 . 1 1 47 47 GLU HG2 H 1 2.26 0.01 . 2 . . . . . . . . 7224 1
555 . 1 1 47 47 GLU HG3 H 1 2.47 0.01 . 2 . . . . . . . . 7224 1
556 . 1 1 48 48 THR N N 15 118.0 0.5 . 1 . . . . . . . . 7224 1
557 . 1 1 48 48 THR H H 1 7.76 0.01 . 1 . . . . . . . . 7224 1
558 . 1 1 48 48 THR CA C 13 66.8 0.5 . 1 . . . . . . . . 7224 1
559 . 1 1 48 48 THR HA H 1 4.04 0.01 . 1 . . . . . . . . 7224 1
560 . 1 1 48 48 THR CB C 13 68.5 0.5 . 1 . . . . . . . . 7224 1
561 . 1 1 48 48 THR HB H 1 4.35 0.01 . 1 . . . . . . . . 7224 1
562 . 1 1 48 48 THR HG21 H 1 1.36 0.01 . 1 . . . . . . . . 7224 1
563 . 1 1 48 48 THR HG22 H 1 1.36 0.01 . 1 . . . . . . . . 7224 1
564 . 1 1 48 48 THR HG23 H 1 1.36 0.01 . 1 . . . . . . . . 7224 1
565 . 1 1 48 48 THR CG2 C 13 21.8 0.5 . 1 . . . . . . . . 7224 1
566 . 1 1 49 49 TRP N N 15 124.6 0.5 . 1 . . . . . . . . 7224 1
567 . 1 1 49 49 TRP H H 1 8.74 0.01 . 1 . . . . . . . . 7224 1
568 . 1 1 49 49 TRP CA C 13 58.2 0.5 . 1 . . . . . . . . 7224 1
569 . 1 1 49 49 TRP HA H 1 4.61 0.01 . 1 . . . . . . . . 7224 1
570 . 1 1 49 49 TRP CB C 13 29.1 0.5 . 1 . . . . . . . . 7224 1
571 . 1 1 49 49 TRP HB2 H 1 3.56 0.01 . 1 . . . . . . . . 7224 1
572 . 1 1 49 49 TRP HB3 H 1 3.56 0.01 . 1 . . . . . . . . 7224 1
573 . 1 1 49 49 TRP CD1 C 13 124.5 0.5 . 1 . . . . . . . . 7224 1
574 . 1 1 49 49 TRP CE3 C 13 121.0 0.5 . 1 . . . . . . . . 7224 1
575 . 1 1 49 49 TRP NE1 N 15 127.1 0.5 . 1 . . . . . . . . 7224 1
576 . 1 1 49 49 TRP HD1 H 1 7.05 0.01 . 1 . . . . . . . . 7224 1
577 . 1 1 49 49 TRP HE3 H 1 7.43 0.01 . 1 . . . . . . . . 7224 1
578 . 1 1 49 49 TRP CZ3 C 13 119.9 0.5 . 1 . . . . . . . . 7224 1
579 . 1 1 49 49 TRP CZ2 C 13 113.6 0.5 . 1 . . . . . . . . 7224 1
580 . 1 1 49 49 TRP HE1 H 1 10.19 0.01 . 1 . . . . . . . . 7224 1
581 . 1 1 49 49 TRP HZ3 H 1 6.87 0.01 . 1 . . . . . . . . 7224 1
582 . 1 1 49 49 TRP CH2 C 13 124.3 0.5 . 1 . . . . . . . . 7224 1
583 . 1 1 49 49 TRP HZ2 H 1 7.47 0.01 . 1 . . . . . . . . 7224 1
584 . 1 1 49 49 TRP HH2 H 1 7.50 0.01 . 1 . . . . . . . . 7224 1
585 . 1 1 50 50 TRP N N 15 117.7 0.5 . 1 . . . . . . . . 7224 1
586 . 1 1 50 50 TRP H H 1 8.60 0.01 . 1 . . . . . . . . 7224 1
587 . 1 1 50 50 TRP CA C 13 60.4 0.5 . 1 . . . . . . . . 7224 1
588 . 1 1 50 50 TRP HA H 1 4.29 0.01 . 1 . . . . . . . . 7224 1
589 . 1 1 50 50 TRP CB C 13 29.8 0.5 . 1 . . . . . . . . 7224 1
590 . 1 1 50 50 TRP HB2 H 1 3.29 0.01 . 2 . . . . . . . . 7224 1
591 . 1 1 50 50 TRP HB3 H 1 3.53 0.01 . 2 . . . . . . . . 7224 1
592 . 1 1 50 50 TRP CD1 C 13 127.4 0.5 . 1 . . . . . . . . 7224 1
593 . 1 1 50 50 TRP CE3 C 13 119.2 0.5 . 1 . . . . . . . . 7224 1
594 . 1 1 50 50 TRP NE1 N 15 130.5 0.5 . 1 . . . . . . . . 7224 1
595 . 1 1 50 50 TRP HD1 H 1 7.37 0.01 . 1 . . . . . . . . 7224 1
596 . 1 1 50 50 TRP HE3 H 1 7.51 0.01 . 1 . . . . . . . . 7224 1
597 . 1 1 50 50 TRP CZ3 C 13 122.6 0.5 . 1 . . . . . . . . 7224 1
598 . 1 1 50 50 TRP CZ2 C 13 114.9 0.5 . 1 . . . . . . . . 7224 1
599 . 1 1 50 50 TRP HE1 H 1 10.55 0.01 . 1 . . . . . . . . 7224 1
600 . 1 1 50 50 TRP HZ3 H 1 7.40 0.01 . 1 . . . . . . . . 7224 1
601 . 1 1 50 50 TRP CH2 C 13 125.0 0.5 . 1 . . . . . . . . 7224 1
602 . 1 1 50 50 TRP HZ2 H 1 7.55 0.01 . 1 . . . . . . . . 7224 1
603 . 1 1 50 50 TRP HH2 H 1 7.36 0.01 . 1 . . . . . . . . 7224 1
604 . 1 1 51 51 GLU N N 15 117.7 0.5 . 1 . . . . . . . . 7224 1
605 . 1 1 51 51 GLU H H 1 8.18 0.01 . 1 . . . . . . . . 7224 1
606 . 1 1 51 51 GLU CA C 13 59.4 0.5 . 1 . . . . . . . . 7224 1
607 . 1 1 51 51 GLU HA H 1 3.74 0.01 . 1 . . . . . . . . 7224 1
608 . 1 1 51 51 GLU CB C 13 29.2 0.5 . 1 . . . . . . . . 7224 1
609 . 1 1 51 51 GLU HB2 H 1 2.22 0.01 . 2 . . . . . . . . 7224 1
610 . 1 1 51 51 GLU HB3 H 1 2.14 0.01 . 2 . . . . . . . . 7224 1
611 . 1 1 51 51 GLU CG C 13 36.3 0.5 . 1 . . . . . . . . 7224 1
612 . 1 1 51 51 GLU HG2 H 1 2.36 0.01 . 2 . . . . . . . . 7224 1
613 . 1 1 51 51 GLU HG3 H 1 2.50 0.01 . 2 . . . . . . . . 7224 1
614 . 1 1 52 52 GLU N N 15 119.8 0.5 . 1 . . . . . . . . 7224 1
615 . 1 1 52 52 GLU H H 1 8.33 0.01 . 1 . . . . . . . . 7224 1
616 . 1 1 52 52 GLU CA C 13 59.4 0.5 . 1 . . . . . . . . 7224 1
617 . 1 1 52 52 GLU HA H 1 3.80 0.01 . 1 . . . . . . . . 7224 1
618 . 1 1 52 52 GLU CB C 13 29.2 0.5 . 1 . . . . . . . . 7224 1
619 . 1 1 52 52 GLU HB2 H 1 2.15 0.01 . 2 . . . . . . . . 7224 1
620 . 1 1 52 52 GLU HB3 H 1 2.11 0.01 . 2 . . . . . . . . 7224 1
621 . 1 1 52 52 GLU CG C 13 36.6 0.5 . 1 . . . . . . . . 7224 1
622 . 1 1 52 52 GLU HG2 H 1 2.33 0.01 . 2 . . . . . . . . 7224 1
623 . 1 1 52 52 GLU HG3 H 1 2.58 0.01 . 2 . . . . . . . . 7224 1
624 . 1 1 53 53 LEU N N 15 121.3 0.5 . 1 . . . . . . . . 7224 1
625 . 1 1 53 53 LEU H H 1 7.79 0.01 . 1 . . . . . . . . 7224 1
626 . 1 1 53 53 LEU CA C 13 57.3 0.5 . 1 . . . . . . . . 7224 1
627 . 1 1 53 53 LEU HA H 1 3.42 0.01 . 1 . . . . . . . . 7224 1
628 . 1 1 53 53 LEU CB C 13 40.8 0.5 . 1 . . . . . . . . 7224 1
629 . 1 1 53 53 LEU HB2 H 1 1.00 0.01 . 2 . . . . . . . . 7224 1
630 . 1 1 53 53 LEU HB3 H 1 1.47 0.01 . 2 . . . . . . . . 7224 1
631 . 1 1 53 53 LEU CG C 13 26.4 0.5 . 1 . . . . . . . . 7224 1
632 . 1 1 53 53 LEU HG H 1 1.22 0.01 . 1 . . . . . . . . 7224 1
633 . 1 1 53 53 LEU HD11 H 1 0.80 0.01 . 2 . . . . . . . . 7224 1
634 . 1 1 53 53 LEU HD12 H 1 0.80 0.01 . 2 . . . . . . . . 7224 1
635 . 1 1 53 53 LEU HD13 H 1 0.80 0.01 . 2 . . . . . . . . 7224 1
636 . 1 1 53 53 LEU HD21 H 1 0.79 0.01 . 2 . . . . . . . . 7224 1
637 . 1 1 53 53 LEU HD22 H 1 0.79 0.01 . 2 . . . . . . . . 7224 1
638 . 1 1 53 53 LEU HD23 H 1 0.79 0.01 . 2 . . . . . . . . 7224 1
639 . 1 1 53 53 LEU CD1 C 13 23.4 0.5 . 1 . . . . . . . . 7224 1
640 . 1 1 53 53 LEU CD2 C 13 26.7 0.5 . 1 . . . . . . . . 7224 1
641 . 1 1 54 54 GLN N N 15 114.4 0.5 . 1 . . . . . . . . 7224 1
642 . 1 1 54 54 GLN H H 1 7.31 0.01 . 1 . . . . . . . . 7224 1
643 . 1 1 54 54 GLN CA C 13 56.3 0.5 . 1 . . . . . . . . 7224 1
644 . 1 1 54 54 GLN HA H 1 3.65 0.01 . 1 . . . . . . . . 7224 1
645 . 1 1 54 54 GLN CB C 13 28.5 0.5 . 1 . . . . . . . . 7224 1
646 . 1 1 54 54 GLN HB2 H 1 1.71 0.01 . 2 . . . . . . . . 7224 1
647 . 1 1 54 54 GLN HB3 H 1 1.88 0.01 . 2 . . . . . . . . 7224 1
648 . 1 1 54 54 GLN CG C 13 32.9 0.5 . 1 . . . . . . . . 7224 1
649 . 1 1 54 54 GLN HG2 H 1 1.56 0.01 . 1 . . . . . . . . 7224 1
650 . 1 1 54 54 GLN HG3 H 1 1.56 0.01 . 1 . . . . . . . . 7224 1
651 . 1 1 54 54 GLN NE2 N 15 112.4 0.5 . 1 . . . . . . . . 7224 1
652 . 1 1 54 54 GLN HE21 H 1 5.34 0.01 . 2 . . . . . . . . 7224 1
653 . 1 1 54 54 GLN HE22 H 1 6.19 0.01 . 2 . . . . . . . . 7224 1
654 . 1 1 55 55 LYS N N 15 117.3 0.5 . 1 . . . . . . . . 7224 1
655 . 1 1 55 55 LYS H H 1 7.36 0.01 . 1 . . . . . . . . 7224 1
656 . 1 1 55 55 LYS CA C 13 56.9 0.5 . 1 . . . . . . . . 7224 1
657 . 1 1 55 55 LYS HA H 1 4.13 0.01 . 1 . . . . . . . . 7224 1
658 . 1 1 55 55 LYS CB C 13 33.0 0.5 . 1 . . . . . . . . 7224 1
659 . 1 1 55 55 LYS HB2 H 1 1.79 0.01 . 2 . . . . . . . . 7224 1
660 . 1 1 55 55 LYS HB3 H 1 1.83 0.01 . 2 . . . . . . . . 7224 1
661 . 1 1 55 55 LYS CG C 13 25.0 0.5 . 1 . . . . . . . . 7224 1
662 . 1 1 55 55 LYS HG2 H 1 1.41 0.01 . 2 . . . . . . . . 7224 1
663 . 1 1 55 55 LYS HG3 H 1 1.51 0.01 . 2 . . . . . . . . 7224 1
664 . 1 1 55 55 LYS CD C 13 29.2 0.5 . 1 . . . . . . . . 7224 1
665 . 1 1 55 55 LYS HD2 H 1 1.66 0.01 . 2 . . . . . . . . 7224 1
666 . 1 1 55 55 LYS HD3 H 1 1.72 0.01 . 2 . . . . . . . . 7224 1
667 . 1 1 55 55 LYS CE C 13 41.9 0.5 . 1 . . . . . . . . 7224 1
668 . 1 1 55 55 LYS HE2 H 1 2.94 0.01 . 1 . . . . . . . . 7224 1
669 . 1 1 55 55 LYS HE3 H 1 2.94 0.01 . 1 . . . . . . . . 7224 1
670 . 1 1 56 56 ASN N N 15 118.2 0.5 . 1 . . . . . . . . 7224 1
671 . 1 1 56 56 ASN H H 1 7.72 0.01 . 1 . . . . . . . . 7224 1
672 . 1 1 56 56 ASN CA C 13 51.5 0.5 . 1 . . . . . . . . 7224 1
673 . 1 1 56 56 ASN HA H 1 4.99 0.01 . 1 . . . . . . . . 7224 1
674 . 1 1 56 56 ASN CB C 13 39.2 0.5 . 1 . . . . . . . . 7224 1
675 . 1 1 56 56 ASN HB2 H 1 2.66 0.01 . 2 . . . . . . . . 7224 1
676 . 1 1 56 56 ASN HB3 H 1 2.74 0.01 . 2 . . . . . . . . 7224 1
677 . 1 1 56 56 ASN ND2 N 15 113.7 0.5 . 1 . . . . . . . . 7224 1
678 . 1 1 56 56 ASN HD21 H 1 7.67 0.01 . 2 . . . . . . . . 7224 1
679 . 1 1 56 56 ASN HD22 H 1 6.94 0.01 . 2 . . . . . . . . 7224 1
680 . 1 1 57 57 PRO CD C 13 50.4 0.5 . 1 . . . . . . . . 7224 1
681 . 1 1 57 57 PRO CA C 13 61.5 0.5 . 1 . . . . . . . . 7224 1
682 . 1 1 57 57 PRO HA H 1 4.65 0.01 . 1 . . . . . . . . 7224 1
683 . 1 1 57 57 PRO CB C 13 30.8 0.5 . 1 . . . . . . . . 7224 1
684 . 1 1 57 57 PRO HB2 H 1 1.84 0.01 . 2 . . . . . . . . 7224 1
685 . 1 1 57 57 PRO HB3 H 1 2.27 0.01 . 2 . . . . . . . . 7224 1
686 . 1 1 57 57 PRO CG C 13 27.2 0.5 . 1 . . . . . . . . 7224 1
687 . 1 1 57 57 PRO HG2 H 1 1.96 0.01 . 2 . . . . . . . . 7224 1
688 . 1 1 57 57 PRO HG3 H 1 1.99 0.01 . 2 . . . . . . . . 7224 1
689 . 1 1 57 57 PRO HD2 H 1 3.60 0.01 . 1 . . . . . . . . 7224 1
690 . 1 1 57 57 PRO HD3 H 1 3.60 0.01 . 1 . . . . . . . . 7224 1
691 . 1 1 58 58 PRO CD C 13 50.4 0.5 . 1 . . . . . . . . 7224 1
692 . 1 1 58 58 PRO CA C 13 62.7 0.5 . 1 . . . . . . . . 7224 1
693 . 1 1 58 58 PRO HA H 1 4.43 0.01 . 1 . . . . . . . . 7224 1
694 . 1 1 58 58 PRO CB C 13 31.9 0.5 . 1 . . . . . . . . 7224 1
695 . 1 1 58 58 PRO HB2 H 1 1.89 0.01 . 2 . . . . . . . . 7224 1
696 . 1 1 58 58 PRO HB3 H 1 2.28 0.01 . 2 . . . . . . . . 7224 1
697 . 1 1 58 58 PRO CG C 13 27.3 0.5 . 1 . . . . . . . . 7224 1
698 . 1 1 58 58 PRO HG2 H 1 2.03 0.01 . 1 . . . . . . . . 7224 1
699 . 1 1 58 58 PRO HG3 H 1 2.03 0.01 . 1 . . . . . . . . 7224 1
700 . 1 1 58 58 PRO HD2 H 1 3.62 0.01 . 2 . . . . . . . . 7224 1
701 . 1 1 58 58 PRO HD3 H 1 3.77 0.01 . 2 . . . . . . . . 7224 1
702 . 1 1 59 59 TYR N N 15 120.9 0.5 . 1 . . . . . . . . 7224 1
703 . 1 1 59 59 TYR H H 1 8.20 0.01 . 1 . . . . . . . . 7224 1
704 . 1 1 59 59 TYR CA C 13 57.6 0.5 . 1 . . . . . . . . 7224 1
705 . 1 1 59 59 TYR HA H 1 4.50 0.01 . 1 . . . . . . . . 7224 1
706 . 1 1 59 59 TYR CB C 13 39.0 0.5 . 1 . . . . . . . . 7224 1
707 . 1 1 59 59 TYR HB2 H 1 2.88 0.01 . 2 . . . . . . . . 7224 1
708 . 1 1 59 59 TYR HB3 H 1 3.07 0.01 . 2 . . . . . . . . 7224 1
709 . 1 1 59 59 TYR HD1 H 1 7.08 0.01 . 1 . . . . . . . . 7224 1
710 . 1 1 59 59 TYR HD2 H 1 7.08 0.01 . 1 . . . . . . . . 7224 1
711 . 1 1 59 59 TYR HE1 H 1 6.80 0.01 . 1 . . . . . . . . 7224 1
712 . 1 1 59 59 TYR HE2 H 1 6.80 0.01 . 1 . . . . . . . . 7224 1
713 . 1 1 59 59 TYR CD1 C 13 132.5 0.5 . 1 . . . . . . . . 7224 1
714 . 1 1 59 59 TYR CE1 C 13 117.5 0.5 . 1 . . . . . . . . 7224 1
715 . 1 1 60 60 GLU N N 15 126.2 0.5 . 1 . . . . . . . . 7224 1
716 . 1 1 60 60 GLU H H 1 7.99 0.01 . 1 . . . . . . . . 7224 1
717 . 1 1 60 60 GLU CA C 13 53.1 0.5 . 1 . . . . . . . . 7224 1
718 . 1 1 60 60 GLU HA H 1 4.55 0.01 . 1 . . . . . . . . 7224 1
719 . 1 1 60 60 GLU CB C 13 30.6 0.5 . 1 . . . . . . . . 7224 1
720 . 1 1 60 60 GLU HB2 H 1 1.76 0.01 . 2 . . . . . . . . 7224 1
721 . 1 1 60 60 GLU HB3 H 1 1.90 0.01 . 2 . . . . . . . . 7224 1
722 . 1 1 60 60 GLU CG C 13 35.6 0.5 . 1 . . . . . . . . 7224 1
723 . 1 1 60 60 GLU HG2 H 1 2.16 0.01 . 1 . . . . . . . . 7224 1
724 . 1 1 60 60 GLU HG3 H 1 2.16 0.01 . 1 . . . . . . . . 7224 1
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