data_6407
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 6407
_Entry.Title
;
1H, 15N resonance assignment of the C-terminal domain of Human Papillomavirus
Oncoprotein E6
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2004-12-02
_Entry.Accession_date 2004-12-02
_Entry.Last_release_date 2005-03-18
_Entry.Original_release_date 2005-03-18
_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 Yves Nomine . . . 6407
2 Gilles Trave . . . 6407
3 Bruno Kieffer . . . 6407
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 6407
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'15N chemical shifts' 78 6407
'1H chemical shifts' 513 6407
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 . . 2005-03-18 2004-12-02 original author . 6407
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2FK4 'BMRB Entry Tracking System' 6407
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 6407
_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
;
1H and 15N resonance assignment, secondary structure and dynamic
behaviour of the C-terminal domain of human papillomavirus Oncoprotein E6
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Biomol. NMR'
_Citation.Journal_name_full .
_Citation.Journal_volume 31
_Citation.Journal_issue 2
_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 129
_Citation.Page_last 141
_Citation.Year 2005
_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 Yves Nomine . . . 6407 1
2 Sebastian Charbonnier . . . 6407 1
3 Laurent Miguet . . . 6407 1
4 Noelle Potier . . . 6407 1
5 Alain 'Van Dorsselaer' . . . 6407 1
6 R. Atkinson . Andrew . 6407 1
7 Gilles Trave . . . 6407 1
8 Bruno Kieffer . . . 6407 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'3-D NMR' 6407 1
'C-terminal domain' 6407 1
dynamics 6407 1
'HPV oncoprotein E6' 6407 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 6407
_Assembly.ID 1
_Assembly.Name 'HPV16 E6 C-terminal domain'
_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 'all other bound'
_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
protein 6407 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 'HPV16 E6 C-terminal domain' 1 $E6-C_4C-4S . . . native . . . . . 6407 1
2 'ZINC (II) ION' 2 $ZN . . . native . . . . . 6407 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 coordination single . 1 . 1 CYS 27 27 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6407 1
2 coordination single . 1 . 1 CYS 30 30 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6407 1
3 coordination single . 1 . 1 CYS 60 60 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6407 1
4 coordination single . 1 . 1 CYS 63 63 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6407 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
'HPV16 E6 C-terminal domain' abbreviation 6407 1
'HPV16 E6 C-terminal domain' system 6407 1
stop_
loop_
_Assembly_bio_function.Biological_function
_Assembly_bio_function.Entry_ID
_Assembly_bio_function.Assembly_ID
'induced the p53 ubiquitination' 6407 1
oncoprotein 6407 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_E6-C_4C-4S
_Entity.Sf_category entity
_Entity.Sf_framecode E6-C_4C-4S
_Entity.Entry_ID 6407
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'C terminal domain of E6'
_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
;
GAMSYSLYGTTLEQQYNKPL
SDLLIRCINCQKPLSPEEKQ
RHLDKKQRFHNIRGRWTGRC
MSCSRSSRTRRETQL
;
_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 75
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'all other bound'
_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 2010-09-19
_Entity.DB_query_revised_last_date 2008-08-19
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
. . PDB 2FK4 . 'Solution Structure Of The C-Terminal Zinc Binding Domain Of The Hpv16 E6 Oncoprotein' . . . . . 100.00 75 100.00 100.00 6.69e-37 . . . . 6407 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'C terminal domain of E6' common 6407 1
'E6 C-terminal domain' abbreviation 6407 1
'E6 C-terminal domain' variant 6407 1
stop_
loop_
_Entity_systematic_name.Name
_Entity_systematic_name.Naming_system
_Entity_systematic_name.Entry_ID
_Entity_systematic_name.Entity_ID
'C-terminal domain of Human Papillomavirus oncoprotein E6' . 6407 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 77 GLY . 6407 1
2 78 ALA . 6407 1
3 79 MET . 6407 1
4 80 SER . 6407 1
5 81 TYR . 6407 1
6 82 SER . 6407 1
7 83 LEU . 6407 1
8 84 TYR . 6407 1
9 85 GLY . 6407 1
10 86 THR . 6407 1
11 87 THR . 6407 1
12 88 LEU . 6407 1
13 89 GLU . 6407 1
14 90 GLN . 6407 1
15 91 GLN . 6407 1
16 92 TYR . 6407 1
17 93 ASN . 6407 1
18 94 LYS . 6407 1
19 95 PRO . 6407 1
20 96 LEU . 6407 1
21 97 SER . 6407 1
22 98 ASP . 6407 1
23 99 LEU . 6407 1
24 100 LEU . 6407 1
25 101 ILE . 6407 1
26 102 ARG . 6407 1
27 103 CYS . 6407 1
28 104 ILE . 6407 1
29 105 ASN . 6407 1
30 106 CYS . 6407 1
31 107 GLN . 6407 1
32 108 LYS . 6407 1
33 109 PRO . 6407 1
34 110 LEU . 6407 1
35 111 SER . 6407 1
36 112 PRO . 6407 1
37 113 GLU . 6407 1
38 114 GLU . 6407 1
39 115 LYS . 6407 1
40 116 GLN . 6407 1
41 117 ARG . 6407 1
42 118 HIS . 6407 1
43 119 LEU . 6407 1
44 120 ASP . 6407 1
45 121 LYS . 6407 1
46 122 LYS . 6407 1
47 123 GLN . 6407 1
48 124 ARG . 6407 1
49 125 PHE . 6407 1
50 126 HIS . 6407 1
51 127 ASN . 6407 1
52 128 ILE . 6407 1
53 129 ARG . 6407 1
54 130 GLY . 6407 1
55 131 ARG . 6407 1
56 132 TRP . 6407 1
57 133 THR . 6407 1
58 134 GLY . 6407 1
59 135 ARG . 6407 1
60 136 CYS . 6407 1
61 137 MET . 6407 1
62 138 SER . 6407 1
63 139 CYS . 6407 1
64 140 SER . 6407 1
65 141 ARG . 6407 1
66 142 SER . 6407 1
67 143 SER . 6407 1
68 144 ARG . 6407 1
69 145 THR . 6407 1
70 146 ARG . 6407 1
71 147 ARG . 6407 1
72 148 GLU . 6407 1
73 149 THR . 6407 1
74 150 GLN . 6407 1
75 151 LEU . 6407 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 6407 1
. ALA 2 2 6407 1
. MET 3 3 6407 1
. SER 4 4 6407 1
. TYR 5 5 6407 1
. SER 6 6 6407 1
. LEU 7 7 6407 1
. TYR 8 8 6407 1
. GLY 9 9 6407 1
. THR 10 10 6407 1
. THR 11 11 6407 1
. LEU 12 12 6407 1
. GLU 13 13 6407 1
. GLN 14 14 6407 1
. GLN 15 15 6407 1
. TYR 16 16 6407 1
. ASN 17 17 6407 1
. LYS 18 18 6407 1
. PRO 19 19 6407 1
. LEU 20 20 6407 1
. SER 21 21 6407 1
. ASP 22 22 6407 1
. LEU 23 23 6407 1
. LEU 24 24 6407 1
. ILE 25 25 6407 1
. ARG 26 26 6407 1
. CYS 27 27 6407 1
. ILE 28 28 6407 1
. ASN 29 29 6407 1
. CYS 30 30 6407 1
. GLN 31 31 6407 1
. LYS 32 32 6407 1
. PRO 33 33 6407 1
. LEU 34 34 6407 1
. SER 35 35 6407 1
. PRO 36 36 6407 1
. GLU 37 37 6407 1
. GLU 38 38 6407 1
. LYS 39 39 6407 1
. GLN 40 40 6407 1
. ARG 41 41 6407 1
. HIS 42 42 6407 1
. LEU 43 43 6407 1
. ASP 44 44 6407 1
. LYS 45 45 6407 1
. LYS 46 46 6407 1
. GLN 47 47 6407 1
. ARG 48 48 6407 1
. PHE 49 49 6407 1
. HIS 50 50 6407 1
. ASN 51 51 6407 1
. ILE 52 52 6407 1
. ARG 53 53 6407 1
. GLY 54 54 6407 1
. ARG 55 55 6407 1
. TRP 56 56 6407 1
. THR 57 57 6407 1
. GLY 58 58 6407 1
. ARG 59 59 6407 1
. CYS 60 60 6407 1
. MET 61 61 6407 1
. SER 62 62 6407 1
. CYS 63 63 6407 1
. SER 64 64 6407 1
. ARG 65 65 6407 1
. SER 66 66 6407 1
. SER 67 67 6407 1
. ARG 68 68 6407 1
. THR 69 69 6407 1
. ARG 70 70 6407 1
. ARG 71 71 6407 1
. GLU 72 72 6407 1
. THR 73 73 6407 1
. GLN 74 74 6407 1
. LEU 75 75 6407 1
stop_
save_
save_ZN
_Entity.Sf_category entity
_Entity.Sf_framecode ZN
_Entity.Entry_ID 6407
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name ZN
_Entity.Type non-polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type .
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code .
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer .
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID ZN
_Entity.Nonpolymer_comp_label $chem_comp_ZN
_Entity.Number_of_monomers .
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state .
_Entity.Src_method .
_Entity.Parent_entity_ID 2
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
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 . ZN . 6407 2
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 6407
_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 $E6-C_4C-4S . 9606 virus . 'Papillomavirus Human Papillomavirus type E6' Human . . Viruses 'dsDNA viruses' Papillomavirus 'Human Papillomavirus type E6' . . . . . . . . . . . . . . . . . . . . . 6407 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 6407
_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 $E6-C_4C-4S . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . .
;
This construct corresponds to residues 77-151 of HPV16 E6 with four
non-conserved cystein residues (80,97, 111 and 140) mutated into serines. At
the N-terminus of the construct there are three additional residues (GAM) due
to TEV cleveage.
;
. . 6407 1
stop_
save_
#################################
# Polymer residues and ligands #
#################################
save_chem_comp_ZN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ZN
_Chem_comp.Entry_ID 6407
_Chem_comp.ID ZN
_Chem_comp.Provenance .
_Chem_comp.Name 'ZINC ION'
_Chem_comp.Type non-polymer
_Chem_comp.BMRB_code .
_Chem_comp.PDB_code ZN
_Chem_comp.Ambiguous_flag no
_Chem_comp.Initial_date 1999-07-08
_Chem_comp.Modified_date 2011-06-04
_Chem_comp.Release_status REL
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code ZN
_Chem_comp.Number_atoms_all .
_Chem_comp.Number_atoms_nh .
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code .
_Chem_comp.Mon_nstd_flag .
_Chem_comp.Mon_nstd_class .
_Chem_comp.Mon_nstd_details .
_Chem_comp.Mon_nstd_parent .
_Chem_comp.Mon_nstd_parent_comp_ID .
_Chem_comp.Std_deriv_one_letter_code .
_Chem_comp.Std_deriv_three_letter_code .
_Chem_comp.Std_deriv_BMRB_code .
_Chem_comp.Std_deriv_PDB_code .
_Chem_comp.Std_deriv_chem_comp_name .
_Chem_comp.Synonyms .
_Chem_comp.Formal_charge 2
_Chem_comp.Paramagnetic .
_Chem_comp.Aromatic no
_Chem_comp.Formula Zn
_Chem_comp.Formula_weight 65.409
_Chem_comp.Formula_mono_iso_wt_nat .
_Chem_comp.Formula_mono_iso_wt_13C .
_Chem_comp.Formula_mono_iso_wt_15N .
_Chem_comp.Formula_mono_iso_wt_13C_15N .
_Chem_comp.Image_file_name .
_Chem_comp.Image_file_format .
_Chem_comp.Topo_file_name .
_Chem_comp.Topo_file_format .
_Chem_comp.Struct_file_name .
_Chem_comp.Struct_file_format .
_Chem_comp.Stereochem_param_file_name .
_Chem_comp.Stereochem_param_file_format .
_Chem_comp.Model_details .
_Chem_comp.Model_erf .
_Chem_comp.Model_source .
_Chem_comp.Model_coordinates_details .
_Chem_comp.Model_coordinates_missing_flag no
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag no
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site RCSB
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Wed Jun 15 12:20:01 2011
;
_Chem_comp.DB_query_date .
_Chem_comp.DB_last_query_revised_last_date .
loop_
_Chem_comp_descriptor.Descriptor
_Chem_comp_descriptor.Type
_Chem_comp_descriptor.Program
_Chem_comp_descriptor.Program_version
_Chem_comp_descriptor.Entry_ID
_Chem_comp_descriptor.Comp_ID
InChI=1S/Zn/q+2 InChI InChI 1.03 6407 ZN
PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6407 ZN
[Zn++] SMILES CACTVS 3.341 6407 ZN
[Zn++] SMILES_CANONICAL CACTVS 3.341 6407 ZN
[Zn+2] SMILES ACDLabs 10.04 6407 ZN
[Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6407 ZN
[Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6407 ZN
stop_
loop_
_Chem_comp_identifier.Identifier
_Chem_comp_identifier.Type
_Chem_comp_identifier.Program
_Chem_comp_identifier.Program_version
_Chem_comp_identifier.Entry_ID
_Chem_comp_identifier.Comp_ID
zinc 'SYSTEMATIC NAME' ACDLabs 10.04 6407 ZN
'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6407 ZN
stop_
loop_
_Chem_comp_atom.Atom_ID
_Chem_comp_atom.BMRB_code
_Chem_comp_atom.PDB_atom_ID
_Chem_comp_atom.Alt_atom_ID
_Chem_comp_atom.Auth_atom_ID
_Chem_comp_atom.Type_symbol
_Chem_comp_atom.Isotope_number
_Chem_comp_atom.Chirality
_Chem_comp_atom.Stereo_config
_Chem_comp_atom.Charge
_Chem_comp_atom.Partial_charge
_Chem_comp_atom.Oxidation_number
_Chem_comp_atom.Unpaired_electron_number
_Chem_comp_atom.Align
_Chem_comp_atom.Aromatic_flag
_Chem_comp_atom.Leaving_atom_flag
_Chem_comp_atom.Substruct_code
_Chem_comp_atom.Ionizable
_Chem_comp_atom.Drawing_2D_coord_x
_Chem_comp_atom.Drawing_2D_coord_y
_Chem_comp_atom.Model_Cartn_x
_Chem_comp_atom.Model_Cartn_x_esd
_Chem_comp_atom.Model_Cartn_y
_Chem_comp_atom.Model_Cartn_y_esd
_Chem_comp_atom.Model_Cartn_z
_Chem_comp_atom.Model_Cartn_z_esd
_Chem_comp_atom.Model_Cartn_x_ideal
_Chem_comp_atom.Model_Cartn_y_ideal
_Chem_comp_atom.Model_Cartn_z_ideal
_Chem_comp_atom.PDBX_ordinal
_Chem_comp_atom.Details
_Chem_comp_atom.Entry_ID
_Chem_comp_atom.Comp_ID
ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6407 ZN
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 6407
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details
;
The E6-C 4C/4S construct corresponds to residues 77-151 of HPV16 E6 with four
non-conserved cystein residues (80,97,111 and 140) mutated into serines. At the
N-terminus of the construct there are three additional residues (GAM) due to
TEV cleavage.
;
_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 'C terminal domain of E6' [U-15N] . . 1 $E6-C_4C-4S . . . 0.3 1.2 mM . . . . 6407 1
2 'Tris-HCl deuterated' . . . . . . . 20 . . mM . . . . 6407 1
3 NaCl . . . . . . . 50 . . mM . . . . 6407 1
4 dithiothreitol . . . . . . . 1 . . mM . . . . 6407 1
5 'deuterium oxide' . . . . . . . 10 . . % . . . . 6407 1
stop_
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode conditions_1
_Sample_condition_list.Entry_ID 6407
_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 6.8 0.1 pH 6407 1
temperature 288 0.1 K 6407 1
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 6407
_Software.ID 1
_Software.Name NMRPipe
_Software.Version .
_Software.Details .
save_
save_XEASY
_Software.Sf_category software
_Software.Sf_framecode XEASY
_Software.Entry_ID 6407
_Software.ID 2
_Software.Name XEASY
_Software.Version .
_Software.Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_500MHz_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode 500MHz_spectrometer
_NMR_spectrometer.Entry_ID 6407
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DMX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 6407
_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 500MHz_spectrometer Bruker DMX . 500 . . . 6407 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 6407
_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 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6407 1
2 '15N NOESY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6407 1
3 '15N TOCSY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6407 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 6407
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name '1H-15N HSQC'
_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 $500MHz_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 6407
_NMR_spec_expt.ID 2
_NMR_spec_expt.Name '15N NOESY-HSQC'
_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 $500MHz_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 6407
_NMR_spec_expt.ID 3
_NMR_spec_expt.Name '15N TOCSY-HSQC'
_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 $500MHz_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_referencing
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_referencing
_Chem_shift_reference.Entry_ID 6407
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 'outside sample' . . 1 $entry_citation . . 1 $entry_citation 6407 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 'outside sample' . . 1 $entry_citation . . 1 $entry_citation 6407 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6407
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 $sample_1 . 6407 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 3 3 MET H H 1 8.54 0.01 . 1 . . . . . . . . 6407 1
2 . 1 1 3 3 MET HA H 1 4.49 0.01 . 1 . . . . . . . . 6407 1
3 . 1 1 3 3 MET HB2 H 1 2.04 0.01 . 1 . . . . . . . . 6407 1
4 . 1 1 3 3 MET HB3 H 1 2.04 0.01 . 1 . . . . . . . . 6407 1
5 . 1 1 3 3 MET HG2 H 1 2.55 0.01 . 1 . . . . . . . . 6407 1
6 . 1 1 3 3 MET HG3 H 1 2.55 0.01 . 1 . . . . . . . . 6407 1
7 . 1 1 3 3 MET N N 15 121.05 0.02 . 1 . . . . . . . . 6407 1
8 . 1 1 4 4 SER H H 1 8.28 0.01 . 1 . . . . . . . . 6407 1
9 . 1 1 4 4 SER HA H 1 4.67 0.01 . 1 . . . . . . . . 6407 1
10 . 1 1 4 4 SER HB2 H 1 3.83 0.01 . 1 . . . . . . . . 6407 1
11 . 1 1 4 4 SER HB3 H 1 3.83 0.01 . 1 . . . . . . . . 6407 1
12 . 1 1 4 4 SER N N 15 118.41 0.02 . 1 . . . . . . . . 6407 1
13 . 1 1 5 5 TYR H H 1 8.33 0.01 . 1 . . . . . . . . 6407 1
14 . 1 1 5 5 TYR HA H 1 4.88 0.01 . 1 . . . . . . . . 6407 1
15 . 1 1 5 5 TYR HB2 H 1 3.24 0.01 . 2 . . . . . . . . 6407 1
16 . 1 1 5 5 TYR HB3 H 1 3.01 0.01 . 2 . . . . . . . . 6407 1
17 . 1 1 5 5 TYR HD1 H 1 7.03 0.01 . 1 . . . . . . . . 6407 1
18 . 1 1 5 5 TYR HD2 H 1 7.03 0.01 . 1 . . . . . . . . 6407 1
19 . 1 1 5 5 TYR HE1 H 1 6.77 0.01 . 1 . . . . . . . . 6407 1
20 . 1 1 5 5 TYR HE2 H 1 6.77 0.01 . 1 . . . . . . . . 6407 1
21 . 1 1 5 5 TYR N N 15 122.10 0.02 . 1 . . . . . . . . 6407 1
22 . 1 1 6 6 SER H H 1 8.31 0.01 . 1 . . . . . . . . 6407 1
23 . 1 1 6 6 SER HA H 1 5.59 0.01 . 1 . . . . . . . . 6407 1
24 . 1 1 6 6 SER HB2 H 1 3.50 0.01 . 2 . . . . . . . . 6407 1
25 . 1 1 6 6 SER HB3 H 1 3.35 0.01 . 2 . . . . . . . . 6407 1
26 . 1 1 6 6 SER N N 15 117.89 0.02 . 1 . . . . . . . . 6407 1
27 . 1 1 7 7 LEU H H 1 8.47 0.01 . 1 . . . . . . . . 6407 1
28 . 1 1 7 7 LEU HA H 1 4.76 0.01 . 1 . . . . . . . . 6407 1
29 . 1 1 7 7 LEU HB2 H 1 1.60 0.01 . 2 . . . . . . . . 6407 1
30 . 1 1 7 7 LEU HB3 H 1 1.52 0.01 . 2 . . . . . . . . 6407 1
31 . 1 1 7 7 LEU HG H 1 1.21 0.01 . 1 . . . . . . . . 6407 1
32 . 1 1 7 7 LEU HD11 H 1 1.08 0.01 . 2 . . . . . . . . 6407 1
33 . 1 1 7 7 LEU HD12 H 1 1.08 0.01 . 2 . . . . . . . . 6407 1
34 . 1 1 7 7 LEU HD13 H 1 1.08 0.01 . 2 . . . . . . . . 6407 1
35 . 1 1 7 7 LEU HD21 H 1 0.73 0.01 . 2 . . . . . . . . 6407 1
36 . 1 1 7 7 LEU HD22 H 1 0.73 0.01 . 2 . . . . . . . . 6407 1
37 . 1 1 7 7 LEU HD23 H 1 0.73 0.01 . 2 . . . . . . . . 6407 1
38 . 1 1 7 7 LEU N N 15 122.10 0.02 . 1 . . . . . . . . 6407 1
39 . 1 1 8 8 TYR H H 1 8.80 0.01 . 1 . . . . . . . . 6407 1
40 . 1 1 8 8 TYR HA H 1 4.69 0.01 . 1 . . . . . . . . 6407 1
41 . 1 1 8 8 TYR HB2 H 1 3.31 0.01 . 2 . . . . . . . . 6407 1
42 . 1 1 8 8 TYR HB3 H 1 2.86 0.01 . 2 . . . . . . . . 6407 1
43 . 1 1 8 8 TYR HD1 H 1 7.20 0.01 . 1 . . . . . . . . 6407 1
44 . 1 1 8 8 TYR HD2 H 1 7.20 0.01 . 1 . . . . . . . . 6407 1
45 . 1 1 8 8 TYR HE1 H 1 6.80 0.01 . 1 . . . . . . . . 6407 1
46 . 1 1 8 8 TYR HE2 H 1 6.80 0.01 . 1 . . . . . . . . 6407 1
47 . 1 1 8 8 TYR N N 15 119.73 0.02 . 1 . . . . . . . . 6407 1
48 . 1 1 9 9 GLY H H 1 7.61 0.01 . 1 . . . . . . . . 6407 1
49 . 1 1 9 9 GLY HA2 H 1 4.20 0.01 . 1 . . . . . . . . 6407 1
50 . 1 1 9 9 GLY HA3 H 1 4.20 0.01 . 1 . . . . . . . . 6407 1
51 . 1 1 9 9 GLY N N 15 111.30 0.02 . 1 . . . . . . . . 6407 1
52 . 1 1 10 10 THR H H 1 7.52 0.01 . 1 . . . . . . . . 6407 1
53 . 1 1 10 10 THR HA H 1 4.35 0.01 . 1 . . . . . . . . 6407 1
54 . 1 1 11 11 THR H H 1 7.11 0.01 . 1 . . . . . . . . 6407 1
55 . 1 1 11 11 THR HA H 1 4.19 0.01 . 1 . . . . . . . . 6407 1
56 . 1 1 11 11 THR HB H 1 4.07 0.01 . 1 . . . . . . . . 6407 1
57 . 1 1 11 11 THR HG21 H 1 1.50 0.01 . 1 . . . . . . . . 6407 1
58 . 1 1 11 11 THR HG22 H 1 1.50 0.01 . 1 . . . . . . . . 6407 1
59 . 1 1 11 11 THR HG23 H 1 1.50 0.01 . 1 . . . . . . . . 6407 1
60 . 1 1 11 11 THR N N 15 119.20 0.02 . 1 . . . . . . . . 6407 1
61 . 1 1 12 12 LEU H H 1 7.57 0.01 . 1 . . . . . . . . 6407 1
62 . 1 1 12 12 LEU HA H 1 3.73 0.01 . 1 . . . . . . . . 6407 1
63 . 1 1 12 12 LEU HB2 H 1 1.30 0.01 . 1 . . . . . . . . 6407 1
64 . 1 1 12 12 LEU HB3 H 1 1.30 0.01 . 1 . . . . . . . . 6407 1
65 . 1 1 12 12 LEU HG H 1 1.21 0.01 . 1 . . . . . . . . 6407 1
66 . 1 1 12 12 LEU HD11 H 1 0.68 0.01 . 1 . . . . . . . . 6407 1
67 . 1 1 12 12 LEU HD12 H 1 0.68 0.01 . 1 . . . . . . . . 6407 1
68 . 1 1 12 12 LEU HD13 H 1 0.68 0.01 . 1 . . . . . . . . 6407 1
69 . 1 1 12 12 LEU HD21 H 1 0.68 0.01 . 1 . . . . . . . . 6407 1
70 . 1 1 12 12 LEU HD22 H 1 0.68 0.01 . 1 . . . . . . . . 6407 1
71 . 1 1 12 12 LEU HD23 H 1 0.68 0.01 . 1 . . . . . . . . 6407 1
72 . 1 1 12 12 LEU N N 15 123.42 0.02 . 1 . . . . . . . . 6407 1
73 . 1 1 13 13 GLU H H 1 7.79 0.01 . 1 . . . . . . . . 6407 1
74 . 1 1 13 13 GLU HA H 1 4.27 0.01 . 1 . . . . . . . . 6407 1
75 . 1 1 13 13 GLU HB2 H 1 2.25 0.01 . 1 . . . . . . . . 6407 1
76 . 1 1 13 13 GLU HB3 H 1 2.25 0.01 . 1 . . . . . . . . 6407 1
77 . 1 1 13 13 GLU HG2 H 1 2.50 0.01 . 1 . . . . . . . . 6407 1
78 . 1 1 13 13 GLU HG3 H 1 2.50 0.01 . 1 . . . . . . . . 6407 1
79 . 1 1 13 13 GLU N N 15 117.62 0.02 . 1 . . . . . . . . 6407 1
80 . 1 1 14 14 GLN H H 1 7.42 0.01 . 1 . . . . . . . . 6407 1
81 . 1 1 14 14 GLN HA H 1 4.05 0.01 . 1 . . . . . . . . 6407 1
82 . 1 1 14 14 GLN HB2 H 1 2.21 0.01 . 2 . . . . . . . . 6407 1
83 . 1 1 14 14 GLN HB3 H 1 2.11 0.01 . 2 . . . . . . . . 6407 1
84 . 1 1 14 14 GLN HG2 H 1 2.53 0.01 . 2 . . . . . . . . 6407 1
85 . 1 1 14 14 GLN HG3 H 1 2.36 0.01 . 2 . . . . . . . . 6407 1
86 . 1 1 14 14 GLN HE21 H 1 6.83 0.01 . 2 . . . . . . . . 6407 1
87 . 1 1 14 14 GLN HE22 H 1 7.52 0.01 . 2 . . . . . . . . 6407 1
88 . 1 1 14 14 GLN N N 15 118.15 0.02 . 1 . . . . . . . . 6407 1
89 . 1 1 14 14 GLN NE2 N 15 112.88 0.02 . 1 . . . . . . . . 6407 1
90 . 1 1 15 15 GLN H H 1 8.32 0.01 . 1 . . . . . . . . 6407 1
91 . 1 1 15 15 GLN HA H 1 3.88 0.01 . 1 . . . . . . . . 6407 1
92 . 1 1 15 15 GLN HB2 H 1 1.92 0.01 . 2 . . . . . . . . 6407 1
93 . 1 1 15 15 GLN HB3 H 1 1.37 0.01 . 2 . . . . . . . . 6407 1
94 . 1 1 15 15 GLN HG2 H 1 2.15 0.01 . 2 . . . . . . . . 6407 1
95 . 1 1 15 15 GLN HG3 H 1 1.75 0.01 . 2 . . . . . . . . 6407 1
96 . 1 1 15 15 GLN HE21 H 1 6.67 0.01 . 2 . . . . . . . . 6407 1
97 . 1 1 15 15 GLN HE22 H 1 7.27 0.01 . 2 . . . . . . . . 6407 1
98 . 1 1 15 15 GLN N N 15 119.73 0.02 . 1 . . . . . . . . 6407 1
99 . 1 1 15 15 GLN NE2 N 15 111.56 0.02 . 1 . . . . . . . . 6407 1
100 . 1 1 16 16 TYR H H 1 7.79 0.01 . 1 . . . . . . . . 6407 1
101 . 1 1 16 16 TYR HA H 1 4.37 0.01 . 1 . . . . . . . . 6407 1
102 . 1 1 16 16 TYR HB2 H 1 3.01 0.01 . 2 . . . . . . . . 6407 1
103 . 1 1 16 16 TYR HB3 H 1 2.59 0.01 . 2 . . . . . . . . 6407 1
104 . 1 1 16 16 TYR HD1 H 1 7.16 0.01 . 1 . . . . . . . . 6407 1
105 . 1 1 16 16 TYR HD2 H 1 7.16 0.01 . 1 . . . . . . . . 6407 1
106 . 1 1 16 16 TYR HE1 H 1 6.68 0.01 . 1 . . . . . . . . 6407 1
107 . 1 1 16 16 TYR HE2 H 1 6.68 0.01 . 1 . . . . . . . . 6407 1
108 . 1 1 16 16 TYR N N 15 114.72 0.02 . 1 . . . . . . . . 6407 1
109 . 1 1 17 17 ASN H H 1 7.98 0.01 . 1 . . . . . . . . 6407 1
110 . 1 1 17 17 ASN HA H 1 4.37 0.01 . 1 . . . . . . . . 6407 1
111 . 1 1 17 17 ASN HB2 H 1 3.12 0.01 . 2 . . . . . . . . 6407 1
112 . 1 1 17 17 ASN HB3 H 1 2.64 0.01 . 2 . . . . . . . . 6407 1
113 . 1 1 17 17 ASN HD21 H 1 7.53 0.01 . 2 . . . . . . . . 6407 1
114 . 1 1 17 17 ASN HD22 H 1 6.78 0.01 . 2 . . . . . . . . 6407 1
115 . 1 1 17 17 ASN N N 15 119.73 0.02 . 1 . . . . . . . . 6407 1
116 . 1 1 17 17 ASN ND2 N 15 113.04 0.12 . 1 . . . . . . . . 6407 1
117 . 1 1 18 18 LYS H H 1 7.64 0.01 . 1 . . . . . . . . 6407 1
118 . 1 1 18 18 LYS HA H 1 4.65 0.01 . 1 . . . . . . . . 6407 1
119 . 1 1 18 18 LYS HB2 H 1 1.70 0.01 . 2 . . . . . . . . 6407 1
120 . 1 1 18 18 LYS HB3 H 1 1.38 0.01 . 2 . . . . . . . . 6407 1
121 . 1 1 18 18 LYS HG2 H 1 1.32 0.01 . 1 . . . . . . . . 6407 1
122 . 1 1 18 18 LYS HG3 H 1 1.32 0.01 . 1 . . . . . . . . 6407 1
123 . 1 1 18 18 LYS HD2 H 1 1.58 0.01 . 2 . . . . . . . . 6407 1
124 . 1 1 18 18 LYS HD3 H 1 1.50 0.01 . 2 . . . . . . . . 6407 1
125 . 1 1 18 18 LYS HE2 H 1 2.92 0.01 . 2 . . . . . . . . 6407 1
126 . 1 1 18 18 LYS HE3 H 1 2.74 0.01 . 2 . . . . . . . . 6407 1
127 . 1 1 18 18 LYS N N 15 117.62 0.02 . 1 . . . . . . . . 6407 1
128 . 1 1 19 19 PRO HA H 1 4.40 0.01 . 1 . . . . . . . . 6407 1
129 . 1 1 19 19 PRO HB2 H 1 2.22 0.01 . 2 . . . . . . . . 6407 1
130 . 1 1 19 19 PRO HB3 H 1 1.91 0.01 . 2 . . . . . . . . 6407 1
131 . 1 1 19 19 PRO HG2 H 1 1.85 0.01 . 2 . . . . . . . . 6407 1
132 . 1 1 19 19 PRO HG3 H 1 1.67 0.01 . 2 . . . . . . . . 6407 1
133 . 1 1 19 19 PRO HD2 H 1 3.61 0.01 . 2 . . . . . . . . 6407 1
134 . 1 1 19 19 PRO HD3 H 1 3.57 0.01 . 2 . . . . . . . . 6407 1
135 . 1 1 20 20 LEU H H 1 8.63 0.01 . 1 . . . . . . . . 6407 1
136 . 1 1 20 20 LEU HA H 1 3.66 0.01 . 1 . . . . . . . . 6407 1
137 . 1 1 20 20 LEU HB2 H 1 1.61 0.01 . 2 . . . . . . . . 6407 1
138 . 1 1 20 20 LEU HB3 H 1 1.31 0.01 . 2 . . . . . . . . 6407 1
139 . 1 1 20 20 LEU HG H 1 1.66 0.01 . 1 . . . . . . . . 6407 1
140 . 1 1 20 20 LEU HD11 H 1 0.66 0.01 . 2 . . . . . . . . 6407 1
141 . 1 1 20 20 LEU HD12 H 1 0.66 0.01 . 2 . . . . . . . . 6407 1
142 . 1 1 20 20 LEU HD13 H 1 0.66 0.01 . 2 . . . . . . . . 6407 1
143 . 1 1 20 20 LEU HD21 H 1 0.59 0.01 . 2 . . . . . . . . 6407 1
144 . 1 1 20 20 LEU HD22 H 1 0.59 0.01 . 2 . . . . . . . . 6407 1
145 . 1 1 20 20 LEU HD23 H 1 0.59 0.01 . 2 . . . . . . . . 6407 1
146 . 1 1 20 20 LEU N N 15 113.14 0.02 . 1 . . . . . . . . 6407 1
147 . 1 1 21 21 SER H H 1 9.91 0.01 . 1 . . . . . . . . 6407 1
148 . 1 1 21 21 SER HA H 1 4.39 0.01 . 1 . . . . . . . . 6407 1
149 . 1 1 21 21 SER N N 15 123.42 0.02 . 1 . . . . . . . . 6407 1
150 . 1 1 22 22 ASP H H 1 7.81 0.01 . 1 . . . . . . . . 6407 1
151 . 1 1 22 22 ASP HA H 1 4.58 0.01 . 1 . . . . . . . . 6407 1
152 . 1 1 22 22 ASP HB2 H 1 2.71 0.01 . 2 . . . . . . . . 6407 1
153 . 1 1 22 22 ASP HB3 H 1 2.45 0.01 . 2 . . . . . . . . 6407 1
154 . 1 1 22 22 ASP N N 15 121.84 0.02 . 1 . . . . . . . . 6407 1
155 . 1 1 23 23 LEU H H 1 7.25 0.01 . 1 . . . . . . . . 6407 1
156 . 1 1 23 23 LEU HA H 1 4.15 0.01 . 1 . . . . . . . . 6407 1
157 . 1 1 23 23 LEU HB2 H 1 2.06 0.01 . 2 . . . . . . . . 6407 1
158 . 1 1 23 23 LEU HB3 H 1 0.90 0.01 . 2 . . . . . . . . 6407 1
159 . 1 1 23 23 LEU HG H 1 1.31 0.01 . 1 . . . . . . . . 6407 1
160 . 1 1 23 23 LEU HD11 H 1 0.28 0.01 . 2 . . . . . . . . 6407 1
161 . 1 1 23 23 LEU HD12 H 1 0.28 0.01 . 2 . . . . . . . . 6407 1
162 . 1 1 23 23 LEU HD13 H 1 0.28 0.01 . 2 . . . . . . . . 6407 1
163 . 1 1 23 23 LEU HD21 H 1 0.24 0.01 . 2 . . . . . . . . 6407 1
164 . 1 1 23 23 LEU HD22 H 1 0.24 0.01 . 2 . . . . . . . . 6407 1
165 . 1 1 23 23 LEU HD23 H 1 0.24 0.01 . 2 . . . . . . . . 6407 1
166 . 1 1 23 23 LEU N N 15 122.89 0.02 . 1 . . . . . . . . 6407 1
167 . 1 1 24 24 LEU H H 1 8.32 0.01 . 1 . . . . . . . . 6407 1
168 . 1 1 24 24 LEU HA H 1 4.22 0.01 . 1 . . . . . . . . 6407 1
169 . 1 1 24 24 LEU HB2 H 1 1.76 0.01 . 2 . . . . . . . . 6407 1
170 . 1 1 24 24 LEU HB3 H 1 1.40 0.01 . 2 . . . . . . . . 6407 1
171 . 1 1 24 24 LEU HG H 1 0.84 0.01 . 1 . . . . . . . . 6407 1
172 . 1 1 24 24 LEU HD11 H 1 -0.45 0.01 . 2 . . . . . . . . 6407 1
173 . 1 1 24 24 LEU HD12 H 1 -0.45 0.01 . 2 . . . . . . . . 6407 1
174 . 1 1 24 24 LEU HD13 H 1 -0.45 0.01 . 2 . . . . . . . . 6407 1
175 . 1 1 24 24 LEU HD21 H 1 -0.53 0.01 . 2 . . . . . . . . 6407 1
176 . 1 1 24 24 LEU HD22 H 1 -0.53 0.01 . 2 . . . . . . . . 6407 1
177 . 1 1 24 24 LEU HD23 H 1 -0.53 0.01 . 2 . . . . . . . . 6407 1
178 . 1 1 24 24 LEU N N 15 126.32 0.02 . 1 . . . . . . . . 6407 1
179 . 1 1 25 25 ILE H H 1 8.37 0.01 . 1 . . . . . . . . 6407 1
180 . 1 1 25 25 ILE HA H 1 4.18 0.01 . 1 . . . . . . . . 6407 1
181 . 1 1 25 25 ILE HB H 1 1.21 0.01 . 1 . . . . . . . . 6407 1
182 . 1 1 25 25 ILE HG12 H 1 1.09 0.01 . 1 . . . . . . . . 6407 1
183 . 1 1 25 25 ILE HG13 H 1 0.53 0.01 . 1 . . . . . . . . 6407 1
184 . 1 1 25 25 ILE HG21 H 1 0.61 0.01 . 1 . . . . . . . . 6407 1
185 . 1 1 25 25 ILE HG22 H 1 0.61 0.01 . 1 . . . . . . . . 6407 1
186 . 1 1 25 25 ILE HG23 H 1 0.61 0.01 . 1 . . . . . . . . 6407 1
187 . 1 1 25 25 ILE HD11 H 1 -0.17 0.01 . 1 . . . . . . . . 6407 1
188 . 1 1 25 25 ILE HD12 H 1 -0.17 0.01 . 1 . . . . . . . . 6407 1
189 . 1 1 25 25 ILE HD13 H 1 -0.17 0.01 . 1 . . . . . . . . 6407 1
190 . 1 1 25 25 ILE N N 15 130.80 0.02 . 1 . . . . . . . . 6407 1
191 . 1 1 26 26 ARG H H 1 7.77 0.01 . 1 . . . . . . . . 6407 1
192 . 1 1 26 26 ARG HA H 1 4.84 0.01 . 1 . . . . . . . . 6407 1
193 . 1 1 26 26 ARG HB2 H 1 1.45 0.01 . 2 . . . . . . . . 6407 1
194 . 1 1 26 26 ARG HB3 H 1 1.26 0.01 . 2 . . . . . . . . 6407 1
195 . 1 1 26 26 ARG HG2 H 1 1.18 0.01 . 2 . . . . . . . . 6407 1
196 . 1 1 26 26 ARG HG3 H 1 0.83 0.01 . 2 . . . . . . . . 6407 1
197 . 1 1 26 26 ARG HD2 H 1 3.20 0.01 . 2 . . . . . . . . 6407 1
198 . 1 1 26 26 ARG HD3 H 1 2.96 0.01 . 2 . . . . . . . . 6407 1
199 . 1 1 26 26 ARG HE H 1 7.40 0.01 . 1 . . . . . . . . 6407 1
200 . 1 1 26 26 ARG N N 15 125.79 0.02 . 1 . . . . . . . . 6407 1
201 . 1 1 27 27 CYS H H 1 8.74 0.01 . 1 . . . . . . . . 6407 1
202 . 1 1 27 27 CYS HA H 1 4.24 0.01 . 1 . . . . . . . . 6407 1
203 . 1 1 27 27 CYS HB2 H 1 3.40 0.01 . 2 . . . . . . . . 6407 1
204 . 1 1 27 27 CYS HB3 H 1 2.70 0.01 . 2 . . . . . . . . 6407 1
205 . 1 1 27 27 CYS N N 15 123.68 0.02 . 1 . . . . . . . . 6407 1
206 . 1 1 28 28 ILE H H 1 9.52 0.01 . 1 . . . . . . . . 6407 1
207 . 1 1 28 28 ILE HA H 1 4.10 0.01 . 1 . . . . . . . . 6407 1
208 . 1 1 28 28 ILE HB H 1 2.06 0.01 . 1 . . . . . . . . 6407 1
209 . 1 1 28 28 ILE HG12 H 1 1.45 0.01 . 1 . . . . . . . . 6407 1
210 . 1 1 28 28 ILE HG13 H 1 1.30 0.01 . 1 . . . . . . . . 6407 1
211 . 1 1 28 28 ILE HG21 H 1 1.01 0.01 . 1 . . . . . . . . 6407 1
212 . 1 1 28 28 ILE HG22 H 1 1.01 0.01 . 1 . . . . . . . . 6407 1
213 . 1 1 28 28 ILE HG23 H 1 1.01 0.01 . 1 . . . . . . . . 6407 1
214 . 1 1 28 28 ILE HD11 H 1 0.89 0.01 . 1 . . . . . . . . 6407 1
215 . 1 1 28 28 ILE HD12 H 1 0.89 0.01 . 1 . . . . . . . . 6407 1
216 . 1 1 28 28 ILE HD13 H 1 0.89 0.01 . 1 . . . . . . . . 6407 1
217 . 1 1 28 28 ILE N N 15 132.38 0.02 . 1 . . . . . . . . 6407 1
218 . 1 1 29 29 ASN H H 1 8.89 0.01 . 1 . . . . . . . . 6407 1
219 . 1 1 29 29 ASN HA H 1 4.93 0.01 . 1 . . . . . . . . 6407 1
220 . 1 1 29 29 ASN HB2 H 1 3.42 0.01 . 2 . . . . . . . . 6407 1
221 . 1 1 29 29 ASN HB3 H 1 2.85 0.01 . 2 . . . . . . . . 6407 1
222 . 1 1 29 29 ASN HD21 H 1 8.32 0.01 . 2 . . . . . . . . 6407 1
223 . 1 1 29 29 ASN HD22 H 1 7.09 0.01 . 2 . . . . . . . . 6407 1
224 . 1 1 29 29 ASN N N 15 123.16 0.02 . 1 . . . . . . . . 6407 1
225 . 1 1 29 29 ASN ND2 N 15 115.51 0.02 . 1 . . . . . . . . 6407 1
226 . 1 1 30 30 CYS H H 1 8.01 0.01 . 1 . . . . . . . . 6407 1
227 . 1 1 30 30 CYS HA H 1 4.88 0.01 . 1 . . . . . . . . 6407 1
228 . 1 1 30 30 CYS HB2 H 1 3.23 0.01 . 2 . . . . . . . . 6407 1
229 . 1 1 30 30 CYS HB3 H 1 2.53 0.01 . 2 . . . . . . . . 6407 1
230 . 1 1 30 30 CYS N N 15 118.15 0.02 . 1 . . . . . . . . 6407 1
231 . 1 1 31 31 GLN H H 1 7.79 0.01 . 1 . . . . . . . . 6407 1
232 . 1 1 31 31 GLN HA H 1 4.09 0.01 . 1 . . . . . . . . 6407 1
233 . 1 1 31 31 GLN HB2 H 1 2.25 0.01 . 2 . . . . . . . . 6407 1
234 . 1 1 31 31 GLN HB3 H 1 2.16 0.01 . 2 . . . . . . . . 6407 1
235 . 1 1 31 31 GLN HG2 H 1 2.45 0.01 . 2 . . . . . . . . 6407 1
236 . 1 1 31 31 GLN HG3 H 1 2.36 0.01 . 2 . . . . . . . . 6407 1
237 . 1 1 31 31 GLN HE21 H 1 7.24 0.01 . 2 . . . . . . . . 6407 1
238 . 1 1 31 31 GLN HE22 H 1 6.55 0.01 . 2 . . . . . . . . 6407 1
239 . 1 1 31 31 GLN N N 15 116.04 0.02 . 1 . . . . . . . . 6407 1
240 . 1 1 31 31 GLN NE2 N 15 113.67 0.02 . 1 . . . . . . . . 6407 1
241 . 1 1 32 32 LYS H H 1 8.36 0.01 . 1 . . . . . . . . 6407 1
242 . 1 1 32 32 LYS HA H 1 4.55 0.01 . 1 . . . . . . . . 6407 1
243 . 1 1 32 32 LYS HB2 H 1 1.98 0.01 . 1 . . . . . . . . 6407 1
244 . 1 1 32 32 LYS HB3 H 1 1.98 0.01 . 1 . . . . . . . . 6407 1
245 . 1 1 32 32 LYS HG2 H 1 1.60 0.01 . 2 . . . . . . . . 6407 1
246 . 1 1 32 32 LYS HG3 H 1 1.53 0.01 . 2 . . . . . . . . 6407 1
247 . 1 1 32 32 LYS HD2 H 1 1.82 0.01 . 2 . . . . . . . . 6407 1
248 . 1 1 32 32 LYS HD3 H 1 1.75 0.01 . 2 . . . . . . . . 6407 1
249 . 1 1 32 32 LYS HE2 H 1 3.04 0.01 . 1 . . . . . . . . 6407 1
250 . 1 1 32 32 LYS HE3 H 1 3.04 0.01 . 1 . . . . . . . . 6407 1
251 . 1 1 32 32 LYS N N 15 123.91 0.02 . 1 . . . . . . . . 6407 1
252 . 1 1 33 33 PRO HA H 1 4.41 0.01 . 1 . . . . . . . . 6407 1
253 . 1 1 33 33 PRO HB2 H 1 2.12 0.01 . 2 . . . . . . . . 6407 1
254 . 1 1 33 33 PRO HB3 H 1 1.96 0.01 . 2 . . . . . . . . 6407 1
255 . 1 1 33 33 PRO HG2 H 1 2.19 0.01 . 2 . . . . . . . . 6407 1
256 . 1 1 33 33 PRO HG3 H 1 1.79 0.01 . 2 . . . . . . . . 6407 1
257 . 1 1 33 33 PRO HD2 H 1 3.97 0.01 . 2 . . . . . . . . 6407 1
258 . 1 1 33 33 PRO HD3 H 1 3.60 0.01 . 2 . . . . . . . . 6407 1
259 . 1 1 34 34 LEU H H 1 9.41 0.01 . 1 . . . . . . . . 6407 1
260 . 1 1 34 34 LEU HA H 1 4.54 0.01 . 1 . . . . . . . . 6407 1
261 . 1 1 34 34 LEU HB2 H 1 1.96 0.01 . 2 . . . . . . . . 6407 1
262 . 1 1 34 34 LEU HB3 H 1 1.42 0.01 . 2 . . . . . . . . 6407 1
263 . 1 1 34 34 LEU HG H 1 1.62 0.01 . 1 . . . . . . . . 6407 1
264 . 1 1 34 34 LEU HD11 H 1 0.68 0.01 . 2 . . . . . . . . 6407 1
265 . 1 1 34 34 LEU HD12 H 1 0.68 0.01 . 2 . . . . . . . . 6407 1
266 . 1 1 34 34 LEU HD13 H 1 0.68 0.01 . 2 . . . . . . . . 6407 1
267 . 1 1 34 34 LEU HD21 H 1 0.62 0.01 . 2 . . . . . . . . 6407 1
268 . 1 1 34 34 LEU HD22 H 1 0.62 0.01 . 2 . . . . . . . . 6407 1
269 . 1 1 34 34 LEU HD23 H 1 0.62 0.01 . 2 . . . . . . . . 6407 1
270 . 1 1 34 34 LEU N N 15 127.37 0.02 . 1 . . . . . . . . 6407 1
271 . 1 1 35 35 SER H H 1 9.75 0.01 . 1 . . . . . . . . 6407 1
272 . 1 1 35 35 SER HA H 1 4.77 0.01 . 1 . . . . . . . . 6407 1
273 . 1 1 35 35 SER HB2 H 1 3.98 0.01 . 1 . . . . . . . . 6407 1
274 . 1 1 35 35 SER HB3 H 1 3.98 0.01 . 1 . . . . . . . . 6407 1
275 . 1 1 35 35 SER HG H 1 6.00 0.01 . 1 . . . . . . . . 6407 1
276 . 1 1 35 35 SER N N 15 122.36 0.02 . 1 . . . . . . . . 6407 1
277 . 1 1 36 36 PRO HA H 1 4.14 0.01 . 1 . . . . . . . . 6407 1
278 . 1 1 36 36 PRO HB2 H 1 2.38 0.01 . 2 . . . . . . . . 6407 1
279 . 1 1 36 36 PRO HB3 H 1 1.93 0.01 . 2 . . . . . . . . 6407 1
280 . 1 1 36 36 PRO HG2 H 1 2.23 0.01 . 2 . . . . . . . . 6407 1
281 . 1 1 36 36 PRO HG3 H 1 2.04 0.01 . 2 . . . . . . . . 6407 1
282 . 1 1 36 36 PRO HD2 H 1 3.97 0.01 . 2 . . . . . . . . 6407 1
283 . 1 1 36 36 PRO HD3 H 1 3.84 0.01 . 2 . . . . . . . . 6407 1
284 . 1 1 37 37 GLU H H 1 8.89 0.01 . 1 . . . . . . . . 6407 1
285 . 1 1 37 37 GLU HA H 1 4.09 0.01 . 1 . . . . . . . . 6407 1
286 . 1 1 37 37 GLU HB2 H 1 2.16 0.01 . 2 . . . . . . . . 6407 1
287 . 1 1 37 37 GLU HB3 H 1 1.89 0.01 . 2 . . . . . . . . 6407 1
288 . 1 1 37 37 GLU HG2 H 1 2.38 0.01 . 2 . . . . . . . . 6407 1
289 . 1 1 37 37 GLU HG3 H 1 2.28 0.01 . 2 . . . . . . . . 6407 1
290 . 1 1 37 37 GLU N N 15 118.94 0.02 . 1 . . . . . . . . 6407 1
291 . 1 1 38 38 GLU H H 1 8.04 0.01 . 1 . . . . . . . . 6407 1
292 . 1 1 38 38 GLU HA H 1 4.00 0.01 . 1 . . . . . . . . 6407 1
293 . 1 1 38 38 GLU HB2 H 1 2.53 0.01 . 1 . . . . . . . . 6407 1
294 . 1 1 38 38 GLU HB3 H 1 2.53 0.01 . 1 . . . . . . . . 6407 1
295 . 1 1 38 38 GLU HG2 H 1 2.40 0.01 . 1 . . . . . . . . 6407 1
296 . 1 1 38 38 GLU HG3 H 1 2.40 0.01 . 1 . . . . . . . . 6407 1
297 . 1 1 38 38 GLU N N 15 122.63 0.02 . 1 . . . . . . . . 6407 1
298 . 1 1 39 39 LYS H H 1 8.36 0.01 . 1 . . . . . . . . 6407 1
299 . 1 1 39 39 LYS HA H 1 3.98 0.01 . 1 . . . . . . . . 6407 1
300 . 1 1 39 39 LYS HB2 H 1 1.98 0.01 . 2 . . . . . . . . 6407 1
301 . 1 1 39 39 LYS HB3 H 1 1.60 0.01 . 2 . . . . . . . . 6407 1
302 . 1 1 39 39 LYS HG2 H 1 1.01 0.01 . 1 . . . . . . . . 6407 1
303 . 1 1 39 39 LYS HG3 H 1 1.01 0.01 . 1 . . . . . . . . 6407 1
304 . 1 1 39 39 LYS HD2 H 1 1.75 0.01 . 1 . . . . . . . . 6407 1
305 . 1 1 39 39 LYS HD3 H 1 1.75 0.01 . 1 . . . . . . . . 6407 1
306 . 1 1 39 39 LYS HE2 H 1 2.74 0.01 . 2 . . . . . . . . 6407 1
307 . 1 1 39 39 LYS HE3 H 1 2.49 0.01 . 2 . . . . . . . . 6407 1
308 . 1 1 39 39 LYS N N 15 121.31 0.02 . 1 . . . . . . . . 6407 1
309 . 1 1 40 40 GLN H H 1 8.39 0.01 . 1 . . . . . . . . 6407 1
310 . 1 1 40 40 GLN HA H 1 3.86 0.01 . 1 . . . . . . . . 6407 1
311 . 1 1 40 40 GLN HB2 H 1 2.43 0.01 . 1 . . . . . . . . 6407 1
312 . 1 1 40 40 GLN HB3 H 1 2.43 0.01 . 1 . . . . . . . . 6407 1
313 . 1 1 40 40 GLN HG2 H 1 2.10 0.01 . 1 . . . . . . . . 6407 1
314 . 1 1 40 40 GLN HG3 H 1 2.10 0.01 . 1 . . . . . . . . 6407 1
315 . 1 1 40 40 GLN HE21 H 1 8.09 0.01 . 2 . . . . . . . . 6407 1
316 . 1 1 40 40 GLN HE22 H 1 6.96 0.01 . 2 . . . . . . . . 6407 1
317 . 1 1 40 40 GLN N N 15 119.73 0.02 . 1 . . . . . . . . 6407 1
318 . 1 1 40 40 GLN NE2 N 15 117.62 0.02 . 1 . . . . . . . . 6407 1
319 . 1 1 41 41 ARG H H 1 8.02 0.01 . 1 . . . . . . . . 6407 1
320 . 1 1 41 41 ARG HA H 1 4.19 0.01 . 1 . . . . . . . . 6407 1
321 . 1 1 41 41 ARG HB2 H 1 1.99 0.01 . 1 . . . . . . . . 6407 1
322 . 1 1 41 41 ARG HB3 H 1 1.99 0.01 . 1 . . . . . . . . 6407 1
323 . 1 1 41 41 ARG HG2 H 1 1.73 0.01 . 1 . . . . . . . . 6407 1
324 . 1 1 41 41 ARG HG3 H 1 1.73 0.01 . 1 . . . . . . . . 6407 1
325 . 1 1 41 41 ARG HD2 H 1 3.16 0.01 . 1 . . . . . . . . 6407 1
326 . 1 1 41 41 ARG HD3 H 1 3.16 0.01 . 1 . . . . . . . . 6407 1
327 . 1 1 41 41 ARG N N 15 121.05 0.02 . 1 . . . . . . . . 6407 1
328 . 1 1 42 42 HIS H H 1 7.60 0.01 . 1 . . . . . . . . 6407 1
329 . 1 1 42 42 HIS HA H 1 4.07 0.01 . 1 . . . . . . . . 6407 1
330 . 1 1 42 42 HIS HB2 H 1 3.52 0.01 . 2 . . . . . . . . 6407 1
331 . 1 1 42 42 HIS HB3 H 1 2.69 0.01 . 2 . . . . . . . . 6407 1
332 . 1 1 42 42 HIS HD2 H 1 6.54 0.01 . 1 . . . . . . . . 6407 1
333 . 1 1 42 42 HIS HE1 H 1 7.56 0.01 . 1 . . . . . . . . 6407 1
334 . 1 1 42 42 HIS N N 15 117.89 0.02 . 1 . . . . . . . . 6407 1
335 . 1 1 43 43 LEU H H 1 7.51 0.01 . 1 . . . . . . . . 6407 1
336 . 1 1 43 43 LEU HA H 1 4.32 0.01 . 1 . . . . . . . . 6407 1
337 . 1 1 43 43 LEU HB2 H 1 2.09 0.01 . 2 . . . . . . . . 6407 1
338 . 1 1 43 43 LEU HB3 H 1 1.79 0.01 . 2 . . . . . . . . 6407 1
339 . 1 1 43 43 LEU HG H 1 1.64 0.01 . 1 . . . . . . . . 6407 1
340 . 1 1 43 43 LEU HD11 H 1 0.94 0.01 . 1 . . . . . . . . 6407 1
341 . 1 1 43 43 LEU HD12 H 1 0.94 0.01 . 1 . . . . . . . . 6407 1
342 . 1 1 43 43 LEU HD13 H 1 0.94 0.01 . 1 . . . . . . . . 6407 1
343 . 1 1 43 43 LEU HD21 H 1 0.94 0.01 . 1 . . . . . . . . 6407 1
344 . 1 1 43 43 LEU HD22 H 1 0.94 0.01 . 1 . . . . . . . . 6407 1
345 . 1 1 43 43 LEU HD23 H 1 0.94 0.01 . 1 . . . . . . . . 6407 1
346 . 1 1 43 43 LEU N N 15 118.41 0.02 . 1 . . . . . . . . 6407 1
347 . 1 1 44 44 ASP H H 1 9.03 0.01 . 1 . . . . . . . . 6407 1
348 . 1 1 44 44 ASP HA H 1 4.29 0.01 . 1 . . . . . . . . 6407 1
349 . 1 1 44 44 ASP HB2 H 1 2.71 0.01 . 1 . . . . . . . . 6407 1
350 . 1 1 44 44 ASP HB3 H 1 2.71 0.01 . 1 . . . . . . . . 6407 1
351 . 1 1 44 44 ASP N N 15 122.36 0.02 . 1 . . . . . . . . 6407 1
352 . 1 1 45 45 LYS H H 1 8.25 0.01 . 1 . . . . . . . . 6407 1
353 . 1 1 45 45 LYS HA H 1 4.31 0.01 . 1 . . . . . . . . 6407 1
354 . 1 1 45 45 LYS HB2 H 1 2.00 0.01 . 1 . . . . . . . . 6407 1
355 . 1 1 45 45 LYS HB3 H 1 2.00 0.01 . 1 . . . . . . . . 6407 1
356 . 1 1 45 45 LYS HG2 H 1 1.65 0.01 . 1 . . . . . . . . 6407 1
357 . 1 1 45 45 LYS HG3 H 1 1.65 0.01 . 1 . . . . . . . . 6407 1
358 . 1 1 45 45 LYS HD2 H 1 1.51 0.01 . 1 . . . . . . . . 6407 1
359 . 1 1 45 45 LYS HD3 H 1 1.51 0.01 . 1 . . . . . . . . 6407 1
360 . 1 1 45 45 LYS N N 15 116.57 0.02 . 1 . . . . . . . . 6407 1
361 . 1 1 46 46 LYS H H 1 7.75 0.01 . 1 . . . . . . . . 6407 1
362 . 1 1 46 46 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 6407 1
363 . 1 1 46 46 LYS HB2 H 1 2.09 0.01 . 2 . . . . . . . . 6407 1
364 . 1 1 46 46 LYS HB3 H 1 1.82 0.01 . 2 . . . . . . . . 6407 1
365 . 1 1 46 46 LYS HG2 H 1 1.30 0.01 . 2 . . . . . . . . 6407 1
366 . 1 1 46 46 LYS HG3 H 1 1.22 0.01 . 2 . . . . . . . . 6407 1
367 . 1 1 46 46 LYS HD2 H 1 1.59 0.01 . 2 . . . . . . . . 6407 1
368 . 1 1 46 46 LYS HD3 H 1 1.52 0.01 . 2 . . . . . . . . 6407 1
369 . 1 1 46 46 LYS N N 15 118.94 0.02 . 1 . . . . . . . . 6407 1
370 . 1 1 47 47 GLN H H 1 7.92 0.01 . 1 . . . . . . . . 6407 1
371 . 1 1 47 47 GLN HA H 1 4.21 0.01 . 1 . . . . . . . . 6407 1
372 . 1 1 47 47 GLN HG2 H 1 2.13 0.01 . 2 . . . . . . . . 6407 1
373 . 1 1 47 47 GLN HG3 H 1 1.87 0.01 . 2 . . . . . . . . 6407 1
374 . 1 1 47 47 GLN HE21 H 1 6.98 0.01 . 2 . . . . . . . . 6407 1
375 . 1 1 47 47 GLN HE22 H 1 6.63 0.01 . 2 . . . . . . . . 6407 1
376 . 1 1 47 47 GLN N N 15 125.79 0.02 . 1 . . . . . . . . 6407 1
377 . 1 1 47 47 GLN NE2 N 15 110.51 0.02 . 1 . . . . . . . . 6407 1
378 . 1 1 48 48 ARG H H 1 8.80 0.01 . 1 . . . . . . . . 6407 1
379 . 1 1 48 48 ARG HA H 1 4.13 0.01 . 1 . . . . . . . . 6407 1
380 . 1 1 48 48 ARG HB2 H 1 2.41 0.01 . 2 . . . . . . . . 6407 1
381 . 1 1 48 48 ARG HB3 H 1 2.20 0.01 . 2 . . . . . . . . 6407 1
382 . 1 1 48 48 ARG HG2 H 1 1.50 0.01 . 1 . . . . . . . . 6407 1
383 . 1 1 48 48 ARG HG3 H 1 1.50 0.01 . 1 . . . . . . . . 6407 1
384 . 1 1 48 48 ARG HD2 H 1 2.19 0.01 . 2 . . . . . . . . 6407 1
385 . 1 1 48 48 ARG HD3 H 1 2.06 0.01 . 2 . . . . . . . . 6407 1
386 . 1 1 48 48 ARG HE H 1 3.79 0.01 . 1 . . . . . . . . 6407 1
387 . 1 1 48 48 ARG N N 15 125.53 0.02 . 1 . . . . . . . . 6407 1
388 . 1 1 49 49 PHE H H 1 8.55 0.01 . 1 . . . . . . . . 6407 1
389 . 1 1 49 49 PHE HA H 1 4.92 0.01 . 1 . . . . . . . . 6407 1
390 . 1 1 49 49 PHE HB2 H 1 3.28 0.01 . 2 . . . . . . . . 6407 1
391 . 1 1 49 49 PHE HB3 H 1 2.63 0.01 . 2 . . . . . . . . 6407 1
392 . 1 1 49 49 PHE HD1 H 1 6.95 0.01 . 1 . . . . . . . . 6407 1
393 . 1 1 49 49 PHE HD2 H 1 6.95 0.01 . 1 . . . . . . . . 6407 1
394 . 1 1 49 49 PHE HE1 H 1 6.56 0.01 . 1 . . . . . . . . 6407 1
395 . 1 1 49 49 PHE HE2 H 1 6.56 0.01 . 1 . . . . . . . . 6407 1
396 . 1 1 49 49 PHE HZ H 1 6.54 0.01 . 4 . . . . . . . . 6407 1
397 . 1 1 49 49 PHE N N 15 118.68 0.02 . 1 . . . . . . . . 6407 1
398 . 1 1 50 50 HIS H H 1 8.81 0.01 . 1 . . . . . . . . 6407 1
399 . 1 1 50 50 HIS HA H 1 5.29 0.01 . 1 . . . . . . . . 6407 1
400 . 1 1 50 50 HIS HB2 H 1 2.79 0.01 . 1 . . . . . . . . 6407 1
401 . 1 1 50 50 HIS HB3 H 1 2.79 0.01 . 1 . . . . . . . . 6407 1
402 . 1 1 50 50 HIS N N 15 119.20 0.02 . 1 . . . . . . . . 6407 1
403 . 1 1 51 51 ASN H H 1 9.18 0.01 . 1 . . . . . . . . 6407 1
404 . 1 1 51 51 ASN HA H 1 4.32 0.01 . 1 . . . . . . . . 6407 1
405 . 1 1 51 51 ASN HB2 H 1 1.80 0.01 . 2 . . . . . . . . 6407 1
406 . 1 1 51 51 ASN HB3 H 1 -0.25 0.01 . 2 . . . . . . . . 6407 1
407 . 1 1 51 51 ASN HD21 H 1 5.75 0.01 . 2 . . . . . . . . 6407 1
408 . 1 1 51 51 ASN HD22 H 1 3.85 0.01 . 2 . . . . . . . . 6407 1
409 . 1 1 51 51 ASN N N 15 130.27 0.02 . 1 . . . . . . . . 6407 1
410 . 1 1 51 51 ASN ND2 N 15 107.35 0.02 . 1 . . . . . . . . 6407 1
411 . 1 1 52 52 ILE H H 1 8.53 0.01 . 1 . . . . . . . . 6407 1
412 . 1 1 52 52 ILE HA H 1 4.22 0.01 . 1 . . . . . . . . 6407 1
413 . 1 1 52 52 ILE HB H 1 1.69 0.01 . 1 . . . . . . . . 6407 1
414 . 1 1 52 52 ILE HG12 H 1 1.32 0.01 . 1 . . . . . . . . 6407 1
415 . 1 1 52 52 ILE HG13 H 1 1.09 0.01 . 1 . . . . . . . . 6407 1
416 . 1 1 52 52 ILE HG21 H 1 0.80 0.01 . 1 . . . . . . . . 6407 1
417 . 1 1 52 52 ILE HG22 H 1 0.80 0.01 . 1 . . . . . . . . 6407 1
418 . 1 1 52 52 ILE HG23 H 1 0.80 0.01 . 1 . . . . . . . . 6407 1
419 . 1 1 52 52 ILE HD11 H 1 0.74 0.01 . 1 . . . . . . . . 6407 1
420 . 1 1 52 52 ILE HD12 H 1 0.74 0.01 . 1 . . . . . . . . 6407 1
421 . 1 1 52 52 ILE HD13 H 1 0.74 0.01 . 1 . . . . . . . . 6407 1
422 . 1 1 52 52 ILE N N 15 128.42 0.02 . 1 . . . . . . . . 6407 1
423 . 1 1 53 53 ARG H H 1 9.45 0.01 . 1 . . . . . . . . 6407 1
424 . 1 1 53 53 ARG HA H 1 3.77 0.01 . 1 . . . . . . . . 6407 1
425 . 1 1 53 53 ARG HB2 H 1 1.73 0.01 . 2 . . . . . . . . 6407 1
426 . 1 1 53 53 ARG HB3 H 1 1.54 0.01 . 2 . . . . . . . . 6407 1
427 . 1 1 53 53 ARG HG2 H 1 1.96 0.01 . 1 . . . . . . . . 6407 1
428 . 1 1 53 53 ARG HG3 H 1 1.96 0.01 . 1 . . . . . . . . 6407 1
429 . 1 1 53 53 ARG HD2 H 1 3.21 0.01 . 2 . . . . . . . . 6407 1
430 . 1 1 53 53 ARG HD3 H 1 3.11 0.01 . 2 . . . . . . . . 6407 1
431 . 1 1 53 53 ARG N N 15 127.37 0.02 . 1 . . . . . . . . 6407 1
432 . 1 1 54 54 GLY H H 1 7.91 0.01 . 1 . . . . . . . . 6407 1
433 . 1 1 54 54 GLY HA2 H 1 4.08 0.01 . 2 . . . . . . . . 6407 1
434 . 1 1 54 54 GLY HA3 H 1 3.58 0.01 . 2 . . . . . . . . 6407 1
435 . 1 1 54 54 GLY N N 15 104.45 0.02 . 1 . . . . . . . . 6407 1
436 . 1 1 55 55 ARG H H 1 7.37 0.01 . 1 . . . . . . . . 6407 1
437 . 1 1 55 55 ARG HA H 1 4.55 0.01 . 1 . . . . . . . . 6407 1
438 . 1 1 55 55 ARG HB2 H 1 1.78 0.01 . 2 . . . . . . . . 6407 1
439 . 1 1 55 55 ARG HB3 H 1 1.66 0.01 . 2 . . . . . . . . 6407 1
440 . 1 1 55 55 ARG HG2 H 1 1.50 0.01 . 1 . . . . . . . . 6407 1
441 . 1 1 55 55 ARG HG3 H 1 1.50 0.01 . 1 . . . . . . . . 6407 1
442 . 1 1 55 55 ARG HD2 H 1 3.11 0.01 . 1 . . . . . . . . 6407 1
443 . 1 1 55 55 ARG HD3 H 1 3.11 0.01 . 1 . . . . . . . . 6407 1
444 . 1 1 55 55 ARG N N 15 120.52 0.02 . 1 . . . . . . . . 6407 1
445 . 1 1 56 56 TRP H H 1 8.82 0.01 . 1 . . . . . . . . 6407 1
446 . 1 1 56 56 TRP HA H 1 4.59 0.01 . 1 . . . . . . . . 6407 1
447 . 1 1 56 56 TRP HB2 H 1 3.01 0.01 . 2 . . . . . . . . 6407 1
448 . 1 1 56 56 TRP HB3 H 1 2.78 0.01 . 2 . . . . . . . . 6407 1
449 . 1 1 56 56 TRP HD1 H 1 7.27 0.01 . 1 . . . . . . . . 6407 1
450 . 1 1 56 56 TRP HE1 H 1 10.18 0.01 . 1 . . . . . . . . 6407 1
451 . 1 1 56 56 TRP HE3 H 1 7.17 0.01 . 1 . . . . . . . . 6407 1
452 . 1 1 56 56 TRP HZ2 H 1 7.54 0.01 . 1 . . . . . . . . 6407 1
453 . 1 1 56 56 TRP HZ3 H 1 6.90 0.01 . 1 . . . . . . . . 6407 1
454 . 1 1 56 56 TRP HH2 H 1 6.77 0.01 . 1 . . . . . . . . 6407 1
455 . 1 1 56 56 TRP N N 15 123.42 0.02 . 1 . . . . . . . . 6407 1
456 . 1 1 56 56 TRP NE1 N 15 123.26 0.02 . 1 . . . . . . . . 6407 1
457 . 1 1 57 57 THR H H 1 9.05 0.01 . 1 . . . . . . . . 6407 1
458 . 1 1 57 57 THR HA H 1 5.87 0.01 . 1 . . . . . . . . 6407 1
459 . 1 1 57 57 THR HB H 1 4.31 0.01 . 1 . . . . . . . . 6407 1
460 . 1 1 57 57 THR HG21 H 1 1.17 0.01 . 1 . . . . . . . . 6407 1
461 . 1 1 57 57 THR HG22 H 1 1.17 0.01 . 1 . . . . . . . . 6407 1
462 . 1 1 57 57 THR HG23 H 1 1.17 0.01 . 1 . . . . . . . . 6407 1
463 . 1 1 57 57 THR N N 15 115.78 0.02 . 1 . . . . . . . . 6407 1
464 . 1 1 58 58 GLY H H 1 7.96 0.01 . 1 . . . . . . . . 6407 1
465 . 1 1 58 58 GLY HA2 H 1 4.94 0.01 . 2 . . . . . . . . 6407 1
466 . 1 1 58 58 GLY HA3 H 1 3.62 0.01 . 2 . . . . . . . . 6407 1
467 . 1 1 58 58 GLY N N 15 109.72 0.02 . 1 . . . . . . . . 6407 1
468 . 1 1 59 59 ARG H H 1 10.55 0.01 . 1 . . . . . . . . 6407 1
469 . 1 1 59 59 ARG HA H 1 5.73 0.01 . 1 . . . . . . . . 6407 1
470 . 1 1 59 59 ARG HB2 H 1 1.68 0.01 . 1 . . . . . . . . 6407 1
471 . 1 1 59 59 ARG HB3 H 1 1.68 0.01 . 1 . . . . . . . . 6407 1
472 . 1 1 59 59 ARG HG2 H 1 1.72 0.01 . 1 . . . . . . . . 6407 1
473 . 1 1 59 59 ARG HG3 H 1 1.72 0.01 . 1 . . . . . . . . 6407 1
474 . 1 1 59 59 ARG HD2 H 1 3.09 0.01 . 1 . . . . . . . . 6407 1
475 . 1 1 59 59 ARG HD3 H 1 3.09 0.01 . 1 . . . . . . . . 6407 1
476 . 1 1 59 59 ARG HE H 1 7.55 0.01 . 1 . . . . . . . . 6407 1
477 . 1 1 59 59 ARG N N 15 129.22 0.02 . 1 . . . . . . . . 6407 1
478 . 1 1 60 60 CYS H H 1 9.54 0.01 . 1 . . . . . . . . 6407 1
479 . 1 1 60 60 CYS HA H 1 4.42 0.01 . 1 . . . . . . . . 6407 1
480 . 1 1 60 60 CYS HB2 H 1 3.89 0.01 . 2 . . . . . . . . 6407 1
481 . 1 1 60 60 CYS HB3 H 1 2.58 0.01 . 2 . . . . . . . . 6407 1
482 . 1 1 60 60 CYS N N 15 129.48 0.02 . 1 . . . . . . . . 6407 1
483 . 1 1 61 61 MET H H 1 9.78 0.01 . 1 . . . . . . . . 6407 1
484 . 1 1 61 61 MET HA H 1 4.09 0.01 . 1 . . . . . . . . 6407 1
485 . 1 1 61 61 MET HB2 H 1 2.26 0.01 . 2 . . . . . . . . 6407 1
486 . 1 1 61 61 MET HB3 H 1 2.16 0.01 . 2 . . . . . . . . 6407 1
487 . 1 1 61 61 MET HG2 H 1 2.79 0.01 . 2 . . . . . . . . 6407 1
488 . 1 1 61 61 MET HG3 H 1 2.71 0.01 . 2 . . . . . . . . 6407 1
489 . 1 1 61 61 MET HE1 H 1 2.40 0.01 . 1 . . . . . . . . 6407 1
490 . 1 1 61 61 MET HE2 H 1 2.40 0.01 . 1 . . . . . . . . 6407 1
491 . 1 1 61 61 MET HE3 H 1 2.40 0.01 . 1 . . . . . . . . 6407 1
492 . 1 1 61 61 MET N N 15 121.05 0.02 . 1 . . . . . . . . 6407 1
493 . 1 1 62 62 SER H H 1 8.63 0.01 . 1 . . . . . . . . 6407 1
494 . 1 1 62 62 SER HA H 1 4.22 0.01 . 1 . . . . . . . . 6407 1
495 . 1 1 62 62 SER HB2 H 1 4.02 0.01 . 1 . . . . . . . . 6407 1
496 . 1 1 62 62 SER HB3 H 1 4.02 0.01 . 1 . . . . . . . . 6407 1
497 . 1 1 62 62 SER N N 15 118.15 0.02 . 1 . . . . . . . . 6407 1
498 . 1 1 63 63 CYS H H 1 8.80 0.01 . 1 . . . . . . . . 6407 1
499 . 1 1 63 63 CYS HA H 1 4.13 0.01 . 1 . . . . . . . . 6407 1
500 . 1 1 63 63 CYS HB2 H 1 3.06 0.01 . 2 . . . . . . . . 6407 1
501 . 1 1 63 63 CYS HB3 H 1 2.83 0.01 . 2 . . . . . . . . 6407 1
502 . 1 1 63 63 CYS N N 15 124.47 0.02 . 1 . . . . . . . . 6407 1
503 . 1 1 64 64 SER H H 1 7.99 0.01 . 1 . . . . . . . . 6407 1
504 . 1 1 64 64 SER HA H 1 4.29 0.01 . 1 . . . . . . . . 6407 1
505 . 1 1 64 64 SER HB2 H 1 3.96 0.01 . 2 . . . . . . . . 6407 1
506 . 1 1 64 64 SER HB3 H 1 3.85 0.01 . 2 . . . . . . . . 6407 1
507 . 1 1 64 64 SER N N 15 116.57 0.02 . 1 . . . . . . . . 6407 1
508 . 1 1 65 65 ARG H H 1 7.64 0.01 . 1 . . . . . . . . 6407 1
509 . 1 1 65 65 ARG HA H 1 4.26 0.01 . 1 . . . . . . . . 6407 1
510 . 1 1 65 65 ARG HB2 H 1 1.84 0.01 . 2 . . . . . . . . 6407 1
511 . 1 1 65 65 ARG HB3 H 1 1.90 0.01 . 2 . . . . . . . . 6407 1
512 . 1 1 65 65 ARG HG2 H 1 1.74 0.01 . 2 . . . . . . . . 6407 1
513 . 1 1 65 65 ARG HG3 H 1 1.63 0.01 . 2 . . . . . . . . 6407 1
514 . 1 1 65 65 ARG N N 15 121.84 0.02 . 1 . . . . . . . . 6407 1
515 . 1 1 66 66 SER H H 1 7.94 0.01 . 1 . . . . . . . . 6407 1
516 . 1 1 66 66 SER HA H 1 4.31 0.01 . 1 . . . . . . . . 6407 1
517 . 1 1 66 66 SER HB2 H 1 3.95 0.01 . 2 . . . . . . . . 6407 1
518 . 1 1 66 66 SER HB3 H 1 3.84 0.01 . 2 . . . . . . . . 6407 1
519 . 1 1 66 66 SER N N 15 116.83 0.02 . 1 . . . . . . . . 6407 1
520 . 1 1 67 67 SER H H 1 7.93 0.01 . 1 . . . . . . . . 6407 1
521 . 1 1 67 67 SER HA H 1 4.56 0.01 . 1 . . . . . . . . 6407 1
522 . 1 1 67 67 SER HB2 H 1 4.02 0.01 . 1 . . . . . . . . 6407 1
523 . 1 1 67 67 SER HB3 H 1 4.02 0.01 . 1 . . . . . . . . 6407 1
524 . 1 1 67 67 SER N N 15 118.53 0.02 . 1 . . . . . . . . 6407 1
525 . 1 1 68 68 ARG H H 1 8.33 0.01 . 1 . . . . . . . . 6407 1
526 . 1 1 68 68 ARG HA H 1 4.37 0.01 . 1 . . . . . . . . 6407 1
527 . 1 1 68 68 ARG HB2 H 1 1.85 0.01 . 2 . . . . . . . . 6407 1
528 . 1 1 68 68 ARG HB3 H 1 1.74 0.01 . 2 . . . . . . . . 6407 1
529 . 1 1 68 68 ARG HG2 H 1 1.76 0.01 . 2 . . . . . . . . 6407 1
530 . 1 1 68 68 ARG HG3 H 1 1.60 0.01 . 2 . . . . . . . . 6407 1
531 . 1 1 68 68 ARG HD2 H 1 3.15 0.01 . 1 . . . . . . . . 6407 1
532 . 1 1 68 68 ARG HD3 H 1 3.15 0.01 . 1 . . . . . . . . 6407 1
533 . 1 1 68 68 ARG N N 15 124.47 0.02 . 1 . . . . . . . . 6407 1
534 . 1 1 69 69 THR H H 1 8.13 0.01 . 1 . . . . . . . . 6407 1
535 . 1 1 69 69 THR HA H 1 4.27 0.01 . 1 . . . . . . . . 6407 1
536 . 1 1 69 69 THR HB H 1 4.15 0.01 . 1 . . . . . . . . 6407 1
537 . 1 1 69 69 THR HG21 H 1 1.21 0.01 . 1 . . . . . . . . 6407 1
538 . 1 1 69 69 THR HG22 H 1 1.21 0.01 . 1 . . . . . . . . 6407 1
539 . 1 1 69 69 THR HG23 H 1 1.21 0.01 . 1 . . . . . . . . 6407 1
540 . 1 1 69 69 THR N N 15 115.78 0.02 . 1 . . . . . . . . 6407 1
541 . 1 1 70 70 ARG H H 1 8.33 0.01 . 1 . . . . . . . . 6407 1
542 . 1 1 70 70 ARG HA H 1 4.29 0.01 . 1 . . . . . . . . 6407 1
543 . 1 1 70 70 ARG HB2 H 1 2.10 0.01 . 2 . . . . . . . . 6407 1
544 . 1 1 70 70 ARG HB3 H 1 1.97 0.01 . 2 . . . . . . . . 6407 1
545 . 1 1 70 70 ARG HG2 H 1 2.42 0.01 . 2 . . . . . . . . 6407 1
546 . 1 1 70 70 ARG HG3 H 1 2.23 0.01 . 2 . . . . . . . . 6407 1
547 . 1 1 71 71 ARG H H 1 8.44 0.01 . 1 . . . . . . . . 6407 1
548 . 1 1 71 71 ARG HA H 1 4.26 0.01 . 1 . . . . . . . . 6407 1
549 . 1 1 71 71 ARG HB2 H 1 1.80 0.01 . 2 . . . . . . . . 6407 1
550 . 1 1 71 71 ARG HB3 H 1 1.72 0.01 . 2 . . . . . . . . 6407 1
551 . 1 1 71 71 ARG HG2 H 1 1.59 0.01 . 1 . . . . . . . . 6407 1
552 . 1 1 71 71 ARG HG3 H 1 1.59 0.01 . 1 . . . . . . . . 6407 1
553 . 1 1 71 71 ARG HD2 H 1 3.15 0.01 . 1 . . . . . . . . 6407 1
554 . 1 1 71 71 ARG HD3 H 1 3.15 0.01 . 1 . . . . . . . . 6407 1
555 . 1 1 71 71 ARG N N 15 123.42 0.02 . 1 . . . . . . . . 6407 1
556 . 1 1 72 72 GLU H H 1 8.59 0.01 . 1 . . . . . . . . 6407 1
557 . 1 1 72 72 GLU HA H 1 4.27 0.01 . 1 . . . . . . . . 6407 1
558 . 1 1 72 72 GLU HB2 H 1 2.03 0.01 . 2 . . . . . . . . 6407 1
559 . 1 1 72 72 GLU HB3 H 1 1.92 0.01 . 2 . . . . . . . . 6407 1
560 . 1 1 72 72 GLU HG2 H 1 2.28 0.01 . 1 . . . . . . . . 6407 1
561 . 1 1 72 72 GLU HG3 H 1 2.28 0.01 . 1 . . . . . . . . 6407 1
562 . 1 1 72 72 GLU N N 15 122.89 0.02 . 1 . . . . . . . . 6407 1
563 . 1 1 73 73 THR H H 1 8.14 0.01 . 1 . . . . . . . . 6407 1
564 . 1 1 73 73 THR HA H 1 4.29 0.01 . 1 . . . . . . . . 6407 1
565 . 1 1 73 73 THR HB H 1 4.16 0.01 . 1 . . . . . . . . 6407 1
566 . 1 1 73 73 THR HG21 H 1 1.15 0.01 . 1 . . . . . . . . 6407 1
567 . 1 1 73 73 THR HG22 H 1 1.15 0.01 . 1 . . . . . . . . 6407 1
568 . 1 1 73 73 THR HG23 H 1 1.15 0.01 . 1 . . . . . . . . 6407 1
569 . 1 1 73 73 THR N N 15 115.51 0.02 . 1 . . . . . . . . 6407 1
570 . 1 1 74 74 GLN H H 1 8.38 0.01 . 1 . . . . . . . . 6407 1
571 . 1 1 74 74 GLN HA H 1 4.30 0.01 . 1 . . . . . . . . 6407 1
572 . 1 1 74 74 GLN HB2 H 1 2.08 0.01 . 2 . . . . . . . . 6407 1
573 . 1 1 74 74 GLN HB3 H 1 1.95 0.01 . 2 . . . . . . . . 6407 1
574 . 1 1 74 74 GLN HG2 H 1 2.31 0.01 . 1 . . . . . . . . 6407 1
575 . 1 1 74 74 GLN HG3 H 1 2.31 0.01 . 1 . . . . . . . . 6407 1
576 . 1 1 74 74 GLN HE21 H 1 6.88 0.01 . 2 . . . . . . . . 6407 1
577 . 1 1 74 74 GLN HE22 H 1 7.66 0.01 . 2 . . . . . . . . 6407 1
578 . 1 1 74 74 GLN N N 15 124.47 0.02 . 1 . . . . . . . . 6407 1
579 . 1 1 74 74 GLN NE2 N 15 113.93 0.02 . 1 . . . . . . . . 6407 1
580 . 1 1 75 75 LEU H H 1 8.02 0.01 . 1 . . . . . . . . 6407 1
581 . 1 1 75 75 LEU HA H 1 4.12 0.01 . 1 . . . . . . . . 6407 1
582 . 1 1 75 75 LEU HB2 H 1 1.56 0.01 . 1 . . . . . . . . 6407 1
583 . 1 1 75 75 LEU HB3 H 1 1.56 0.01 . 1 . . . . . . . . 6407 1
584 . 1 1 75 75 LEU HG H 1 0.84 0.01 . 1 . . . . . . . . 6407 1
585 . 1 1 75 75 LEU HD11 H 1 0.79 0.01 . 1 . . . . . . . . 6407 1
586 . 1 1 75 75 LEU HD12 H 1 0.79 0.01 . 1 . . . . . . . . 6407 1
587 . 1 1 75 75 LEU HD13 H 1 0.79 0.01 . 1 . . . . . . . . 6407 1
588 . 1 1 75 75 LEU HD21 H 1 0.79 0.01 . 1 . . . . . . . . 6407 1
589 . 1 1 75 75 LEU HD22 H 1 0.79 0.01 . 1 . . . . . . . . 6407 1
590 . 1 1 75 75 LEU HD23 H 1 0.79 0.01 . 1 . . . . . . . . 6407 1
591 . 1 1 75 75 LEU N N 15 130.80 0.02 . 1 . . . . . . . . 6407 1
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