data_11130
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11130
_Entry.Title
;
Solution structure of two zf-C2H2 domains from human Zinc finger protein 512
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-03-31
_Entry.Accession_date 2010-03-31
_Entry.Last_release_date 2011-04-01
_Entry.Original_release_date 2011-04-01
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.14
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 T. Tomizawa . . . 11130
2 T. Kigawa . . . 11130
3 S. Koshiba . . . 11130
4 M. Inoue . . . 11130
5 S. Yokoyama . . . 11130
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
. 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11130
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 11130
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 386 11130
'15N chemical shifts' 89 11130
'1H chemical shifts' 610 11130
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 . . 2011-04-01 2010-03-31 original author . 11130
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2CTD 'BMRB Entry Tracking System' 11130
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 11130
_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 structure of two zf-C2H2 domains from human Zinc finger protein 512'
_Citation.Status 'in preparation'
_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 T. Tomizawa . . . 11130 1
2 T. Kigawa . . . 11130 1
3 S. Koshiba . . . 11130 1
4 M. Inoue . . . 11130 1
5 S. Yokoyama . . . 11130 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 11130
_Assembly.ID 1
_Assembly.Name 'Zinc finger protein 512'
_Assembly.BMRB_code .
_Assembly.Number_of_components 3
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 2
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'zf-C2H2 domains' 1 $entity_1 A . yes native no no . . . 11130 1
2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11130 1
3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11130 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 'zf-C2H2 domains' 1 CYS 37 37 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 37 CYS SG . . . . ZN 11130 1
2 coordination single . 1 'zf-C2H2 domains' 1 CYS 40 40 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 40 CYS SG . . . . ZN 11130 1
3 coordination single . 1 'zf-C2H2 domains' 1 HIS 54 54 NE2 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 54 HIS NE2 . . . . ZN 11130 1
4 coordination single . 1 'zf-C2H2 domains' 1 CYS 58 58 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 58 CYS SG . . . . ZN 11130 1
5 coordination single . 1 'zf-C2H2 domains' 1 CYS 65 65 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 65 CYS SG . . . . ZN 11130 1
6 coordination single . 1 'zf-C2H2 domains' 1 CYS 68 68 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 68 CYS SG . . . . ZN 11130 1
7 coordination single . 1 'zf-C2H2 domains' 1 HIS 81 81 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 81 HIS NE2 . . . . ZN 11130 1
8 coordination single . 1 'zf-C2H2 domains' 1 HIS 86 86 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 86 HIS NE2 . . . . ZN 11130 1
stop_
loop_
_Entity_deleted_atom.ID
_Entity_deleted_atom.Entity_atom_list_ID
_Entity_deleted_atom.Entity_assembly_ID
_Entity_deleted_atom.Entity_ID
_Entity_deleted_atom.Comp_ID
_Entity_deleted_atom.Comp_index_ID
_Entity_deleted_atom.Seq_ID
_Entity_deleted_atom.Atom_ID
_Entity_deleted_atom.Auth_entity_assembly_ID
_Entity_deleted_atom.Auth_seq_ID
_Entity_deleted_atom.Auth_comp_ID
_Entity_deleted_atom.Auth_atom_ID
_Entity_deleted_atom.Entry_ID
_Entity_deleted_atom.Assembly_ID
. . 1 1 HIS 81 81 HE2 . 81 HIS HE2 11130 1
. . 1 1 HIS 86 86 HE2 . 86 HIS HE2 11130 1
. . 1 1 CYS 65 65 HG . 65 CYS HG 11130 1
. . 1 1 CYS 68 68 HG . 68 CYS HG 11130 1
. . 1 1 HIS 54 54 HE2 . 54 HIS HE2 11130 1
. . 1 1 CYS 58 58 HG . 58 CYS HG 11130 1
. . 1 1 CYS 37 37 HG . 37 CYS HG 11130 1
. . 1 1 CYS 40 40 HG . 40 CYS HG 11130 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 2ctd . . . . . . 11130 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 11130
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'zf-C2H2 domains'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GSSGSSGRIRKEPPVYAAGS
LEEQWYLEIVDKGSVSCPTC
QAVGRKTIEGLKKHMENCKQ
EMFTCHHCGKQLRSLAGMKY
HVMANHNSLPSGPSSG
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 96
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all other bound'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_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 2015-11-26
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 2CTD . "Solution Structure Of Two Zf-C2h2 Domains From Human Zinc Finger Protein 512" . . . . . 100.00 96 100.00 100.00 1.26e-63 . . . . 11130 1
2 no GB EHH21997 . "hypothetical protein EGK_05175 [Macaca mulatta]" . . . . . 86.46 569 100.00 100.00 2.13e-51 . . . . 11130 1
3 no GB EHH55467 . "hypothetical protein EGM_04679 [Macaca fascicularis]" . . . . . 86.46 569 100.00 100.00 2.13e-51 . . . . 11130 1
4 no REF XP_007191412 . "PREDICTED: zinc finger protein 512 isoform X4 [Balaenoptera acutorostrata scammoni]" . . . . . 86.46 511 98.80 98.80 2.52e-51 . . . . 11130 1
5 no REF XP_008831438 . "PREDICTED: zinc finger protein 512 [Nannospalax galili]" . . . . . 86.46 489 100.00 100.00 1.34e-51 . . . . 11130 1
6 no REF XP_010989556 . "PREDICTED: zinc finger protein 512 isoform X2 [Camelus dromedarius]" . . . . . 86.46 509 98.80 98.80 2.58e-51 . . . . 11130 1
7 no REF XP_014418967 . "PREDICTED: zinc finger protein 512 isoform X3 [Camelus ferus]" . . . . . 86.46 509 98.80 98.80 2.58e-51 . . . . 11130 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'zf-C2H2 domains' . 11130 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 . GLY . 11130 1
2 . SER . 11130 1
3 . SER . 11130 1
4 . GLY . 11130 1
5 . SER . 11130 1
6 . SER . 11130 1
7 . GLY . 11130 1
8 . ARG . 11130 1
9 . ILE . 11130 1
10 . ARG . 11130 1
11 . LYS . 11130 1
12 . GLU . 11130 1
13 . PRO . 11130 1
14 . PRO . 11130 1
15 . VAL . 11130 1
16 . TYR . 11130 1
17 . ALA . 11130 1
18 . ALA . 11130 1
19 . GLY . 11130 1
20 . SER . 11130 1
21 . LEU . 11130 1
22 . GLU . 11130 1
23 . GLU . 11130 1
24 . GLN . 11130 1
25 . TRP . 11130 1
26 . TYR . 11130 1
27 . LEU . 11130 1
28 . GLU . 11130 1
29 . ILE . 11130 1
30 . VAL . 11130 1
31 . ASP . 11130 1
32 . LYS . 11130 1
33 . GLY . 11130 1
34 . SER . 11130 1
35 . VAL . 11130 1
36 . SER . 11130 1
37 . CYS . 11130 1
38 . PRO . 11130 1
39 . THR . 11130 1
40 . CYS . 11130 1
41 . GLN . 11130 1
42 . ALA . 11130 1
43 . VAL . 11130 1
44 . GLY . 11130 1
45 . ARG . 11130 1
46 . LYS . 11130 1
47 . THR . 11130 1
48 . ILE . 11130 1
49 . GLU . 11130 1
50 . GLY . 11130 1
51 . LEU . 11130 1
52 . LYS . 11130 1
53 . LYS . 11130 1
54 . HIS . 11130 1
55 . MET . 11130 1
56 . GLU . 11130 1
57 . ASN . 11130 1
58 . CYS . 11130 1
59 . LYS . 11130 1
60 . GLN . 11130 1
61 . GLU . 11130 1
62 . MET . 11130 1
63 . PHE . 11130 1
64 . THR . 11130 1
65 . CYS . 11130 1
66 . HIS . 11130 1
67 . HIS . 11130 1
68 . CYS . 11130 1
69 . GLY . 11130 1
70 . LYS . 11130 1
71 . GLN . 11130 1
72 . LEU . 11130 1
73 . ARG . 11130 1
74 . SER . 11130 1
75 . LEU . 11130 1
76 . ALA . 11130 1
77 . GLY . 11130 1
78 . MET . 11130 1
79 . LYS . 11130 1
80 . TYR . 11130 1
81 . HIS . 11130 1
82 . VAL . 11130 1
83 . MET . 11130 1
84 . ALA . 11130 1
85 . ASN . 11130 1
86 . HIS . 11130 1
87 . ASN . 11130 1
88 . SER . 11130 1
89 . LEU . 11130 1
90 . PRO . 11130 1
91 . SER . 11130 1
92 . GLY . 11130 1
93 . PRO . 11130 1
94 . SER . 11130 1
95 . SER . 11130 1
96 . GLY . 11130 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 11130 1
. SER 2 2 11130 1
. SER 3 3 11130 1
. GLY 4 4 11130 1
. SER 5 5 11130 1
. SER 6 6 11130 1
. GLY 7 7 11130 1
. ARG 8 8 11130 1
. ILE 9 9 11130 1
. ARG 10 10 11130 1
. LYS 11 11 11130 1
. GLU 12 12 11130 1
. PRO 13 13 11130 1
. PRO 14 14 11130 1
. VAL 15 15 11130 1
. TYR 16 16 11130 1
. ALA 17 17 11130 1
. ALA 18 18 11130 1
. GLY 19 19 11130 1
. SER 20 20 11130 1
. LEU 21 21 11130 1
. GLU 22 22 11130 1
. GLU 23 23 11130 1
. GLN 24 24 11130 1
. TRP 25 25 11130 1
. TYR 26 26 11130 1
. LEU 27 27 11130 1
. GLU 28 28 11130 1
. ILE 29 29 11130 1
. VAL 30 30 11130 1
. ASP 31 31 11130 1
. LYS 32 32 11130 1
. GLY 33 33 11130 1
. SER 34 34 11130 1
. VAL 35 35 11130 1
. SER 36 36 11130 1
. CYS 37 37 11130 1
. PRO 38 38 11130 1
. THR 39 39 11130 1
. CYS 40 40 11130 1
. GLN 41 41 11130 1
. ALA 42 42 11130 1
. VAL 43 43 11130 1
. GLY 44 44 11130 1
. ARG 45 45 11130 1
. LYS 46 46 11130 1
. THR 47 47 11130 1
. ILE 48 48 11130 1
. GLU 49 49 11130 1
. GLY 50 50 11130 1
. LEU 51 51 11130 1
. LYS 52 52 11130 1
. LYS 53 53 11130 1
. HIS 54 54 11130 1
. MET 55 55 11130 1
. GLU 56 56 11130 1
. ASN 57 57 11130 1
. CYS 58 58 11130 1
. LYS 59 59 11130 1
. GLN 60 60 11130 1
. GLU 61 61 11130 1
. MET 62 62 11130 1
. PHE 63 63 11130 1
. THR 64 64 11130 1
. CYS 65 65 11130 1
. HIS 66 66 11130 1
. HIS 67 67 11130 1
. CYS 68 68 11130 1
. GLY 69 69 11130 1
. LYS 70 70 11130 1
. GLN 71 71 11130 1
. LEU 72 72 11130 1
. ARG 73 73 11130 1
. SER 74 74 11130 1
. LEU 75 75 11130 1
. ALA 76 76 11130 1
. GLY 77 77 11130 1
. MET 78 78 11130 1
. LYS 79 79 11130 1
. TYR 80 80 11130 1
. HIS 81 81 11130 1
. VAL 82 82 11130 1
. MET 83 83 11130 1
. ALA 84 84 11130 1
. ASN 85 85 11130 1
. HIS 86 86 11130 1
. ASN 87 87 11130 1
. SER 88 88 11130 1
. LEU 89 89 11130 1
. PRO 90 90 11130 1
. SER 91 91 11130 1
. GLY 92 92 11130 1
. PRO 93 93 11130 1
. SER 94 94 11130 1
. SER 95 95 11130 1
. GLY 96 96 11130 1
stop_
save_
save_ZN
_Entity.Sf_category entity
_Entity.Sf_framecode ZN
_Entity.Entry_ID 11130
_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 . 11130 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 11130
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11130 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 11130
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P041018-04 . . . . . . 11130 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 11130
_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 .
_Chem_comp.Initial_date .
_Chem_comp.Modified_date .
_Chem_comp.Release_status .
_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 Tue Jun 9 16:52:42 2009
;
_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=1/Zn/q+2 InChI InChI 1.02b 11130 ZN
PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11130 ZN
[Zn++] SMILES CACTVS 3.341 11130 ZN
[Zn++] SMILES_CANONICAL CACTVS 3.341 11130 ZN
[Zn+2] SMILES ACDLabs 10.04 11130 ZN
[Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11130 ZN
[Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11130 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 11130 ZN
'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11130 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 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 11130 ZN
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 11130
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details
;
1.06mM zf-C2H2 domains {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;}
1mM {d-DTT;} 0.25mM {ZnCl2;} 1mM {IDA;} 0.02% {NaN3;} 10% D2O
;
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O, 10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'zf-C2H2 domains' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.06 . . mM . . . . 11130 1
2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11130 1
3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11130 1
4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11130 1
5 ZnCl2 'natural abundance' . . . . . salt 0.25 . . mM . . . . 11130 1
6 IDA 'natural abundance' . . . . . salt 1 . . mM . . . . 11130 1
7 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11130 1
8 H2O . . . . . . solvent 90 . . % . . . . 11130 1
9 D2O . . . . . . solvent 10 . . % . . . . 11130 1
stop_
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode condition_1
_Sample_condition_list.Entry_ID 11130
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 120 0.1 mM 11130 1
pH 7.0 0.05 pH 11130 1
pressure 1 0.001 atm 11130 1
temperature 296 0.1 K 11130 1
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Software.Sf_category software
_Software.Sf_framecode XWINNMR
_Software.Entry_ID 11130
_Software.ID 1
_Software.Name xwinnmr
_Software.Version 2.6
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Bruker . . 11130 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 11130 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 11130
_Software.ID 2
_Software.Name NMRPipe
_Software.Version 20030801
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, F.' . . 11130 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 11130 2
stop_
save_
save_NMRview
_Software.Sf_category software
_Software.Sf_framecode NMRview
_Software.Entry_ID 11130
_Software.ID 3
_Software.Name NMRView
_Software.Version 5.0.4
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Johnson, B.A.' . . 11130 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11130 3
stop_
save_
save_Kujira
_Software.Sf_category software
_Software.Sf_framecode Kujira
_Software.Entry_ID 11130
_Software.ID 4
_Software.Name Kujira
_Software.Version 0.9295
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Kobayashi, N.' . . 11130 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11130 4
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 11130
_Software.ID 5
_Software.Name CYANA
_Software.Version 2.0.17
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, P.' . . 11130 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 11130 5
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 11130
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AVANCE
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 11130
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker AVANCE . 800 . . . 11130 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 11130
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11130 1
2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11130 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode reference_1
_Chem_shift_reference.Entry_ID 11130
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
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 . . . . . . . . . 11130 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11130 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11130 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_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_1
_Assigned_chem_shift_list.Entry_ID 11130
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11130 1
2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11130 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $XWINNMR . . 11130 1
2 $NMRPipe . . 11130 1
3 $NMRview . . 11130 1
4 $Kujira . . 11130 1
5 $CYANA . . 11130 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 8 8 ARG HA H 1 4.240 0.030 . 1 . . . . 8 ARG HA . 11130 1
2 . 1 1 8 8 ARG HB2 H 1 1.642 0.030 . 2 . . . . 8 ARG HB2 . 11130 1
3 . 1 1 8 8 ARG HB3 H 1 1.723 0.030 . 2 . . . . 8 ARG HB3 . 11130 1
4 . 1 1 8 8 ARG HD2 H 1 3.089 0.030 . 1 . . . . 8 ARG HD2 . 11130 1
5 . 1 1 8 8 ARG HD3 H 1 3.089 0.030 . 1 . . . . 8 ARG HD3 . 11130 1
6 . 1 1 8 8 ARG HG2 H 1 1.471 0.030 . 2 . . . . 8 ARG HG2 . 11130 1
7 . 1 1 8 8 ARG HG3 H 1 1.520 0.030 . 2 . . . . 8 ARG HG3 . 11130 1
8 . 1 1 8 8 ARG C C 13 173.896 0.300 . 1 . . . . 8 ARG C . 11130 1
9 . 1 1 8 8 ARG CA C 13 53.594 0.300 . 1 . . . . 8 ARG CA . 11130 1
10 . 1 1 8 8 ARG CB C 13 28.407 0.300 . 1 . . . . 8 ARG CB . 11130 1
11 . 1 1 8 8 ARG CD C 13 41.050 0.300 . 1 . . . . 8 ARG CD . 11130 1
12 . 1 1 8 8 ARG CG C 13 24.803 0.300 . 1 . . . . 8 ARG CG . 11130 1
13 . 1 1 9 9 ILE H H 1 8.096 0.030 . 1 . . . . 9 ILE H . 11130 1
14 . 1 1 9 9 ILE HA H 1 4.038 0.030 . 1 . . . . 9 ILE HA . 11130 1
15 . 1 1 9 9 ILE HB H 1 1.740 0.030 . 1 . . . . 9 ILE HB . 11130 1
16 . 1 1 9 9 ILE HD11 H 1 0.750 0.030 . 1 . . . . 9 ILE HD1 . 11130 1
17 . 1 1 9 9 ILE HD12 H 1 0.750 0.030 . 1 . . . . 9 ILE HD1 . 11130 1
18 . 1 1 9 9 ILE HD13 H 1 0.750 0.030 . 1 . . . . 9 ILE HD1 . 11130 1
19 . 1 1 9 9 ILE HG12 H 1 1.373 0.030 . 2 . . . . 9 ILE HG12 . 11130 1
20 . 1 1 9 9 ILE HG13 H 1 1.090 0.030 . 2 . . . . 9 ILE HG13 . 11130 1
21 . 1 1 9 9 ILE HG21 H 1 0.782 0.030 . 1 . . . . 9 ILE HG2 . 11130 1
22 . 1 1 9 9 ILE HG22 H 1 0.782 0.030 . 1 . . . . 9 ILE HG2 . 11130 1
23 . 1 1 9 9 ILE HG23 H 1 0.782 0.030 . 1 . . . . 9 ILE HG2 . 11130 1
24 . 1 1 9 9 ILE C C 13 173.740 0.300 . 1 . . . . 9 ILE C . 11130 1
25 . 1 1 9 9 ILE CA C 13 58.681 0.300 . 1 . . . . 9 ILE CA . 11130 1
26 . 1 1 9 9 ILE CB C 13 36.234 0.300 . 1 . . . . 9 ILE CB . 11130 1
27 . 1 1 9 9 ILE CD1 C 13 10.331 0.300 . 1 . . . . 9 ILE CD1 . 11130 1
28 . 1 1 9 9 ILE CG1 C 13 25.052 0.300 . 1 . . . . 9 ILE CG1 . 11130 1
29 . 1 1 9 9 ILE CG2 C 13 15.076 0.300 . 1 . . . . 9 ILE CG2 . 11130 1
30 . 1 1 9 9 ILE N N 15 122.172 0.300 . 1 . . . . 9 ILE N . 11130 1
31 . 1 1 10 10 ARG H H 1 8.334 0.030 . 1 . . . . 10 ARG H . 11130 1
32 . 1 1 10 10 ARG HA H 1 4.249 0.030 . 1 . . . . 10 ARG HA . 11130 1
33 . 1 1 10 10 ARG HB2 H 1 1.644 0.030 . 2 . . . . 10 ARG HB2 . 11130 1
34 . 1 1 10 10 ARG HB3 H 1 1.726 0.030 . 2 . . . . 10 ARG HB3 . 11130 1
35 . 1 1 10 10 ARG HD2 H 1 3.089 0.030 . 1 . . . . 10 ARG HD2 . 11130 1
36 . 1 1 10 10 ARG HD3 H 1 3.089 0.030 . 1 . . . . 10 ARG HD3 . 11130 1
37 . 1 1 10 10 ARG HG2 H 1 1.472 0.030 . 2 . . . . 10 ARG HG2 . 11130 1
38 . 1 1 10 10 ARG HG3 H 1 1.520 0.030 . 2 . . . . 10 ARG HG3 . 11130 1
39 . 1 1 10 10 ARG C C 13 173.384 0.300 . 1 . . . . 10 ARG C . 11130 1
40 . 1 1 10 10 ARG CA C 13 53.546 0.300 . 1 . . . . 10 ARG CA . 11130 1
41 . 1 1 10 10 ARG CB C 13 28.591 0.300 . 1 . . . . 10 ARG CB . 11130 1
42 . 1 1 10 10 ARG CD C 13 41.095 0.300 . 1 . . . . 10 ARG CD . 11130 1
43 . 1 1 10 10 ARG CG C 13 24.781 0.300 . 1 . . . . 10 ARG CG . 11130 1
44 . 1 1 10 10 ARG N N 15 125.774 0.300 . 1 . . . . 10 ARG N . 11130 1
45 . 1 1 11 11 LYS H H 1 8.364 0.030 . 1 . . . . 11 LYS H . 11130 1
46 . 1 1 11 11 LYS HA H 1 4.220 0.030 . 1 . . . . 11 LYS HA . 11130 1
47 . 1 1 11 11 LYS HB2 H 1 1.614 0.030 . 2 . . . . 11 LYS HB2 . 11130 1
48 . 1 1 11 11 LYS HB3 H 1 1.699 0.030 . 2 . . . . 11 LYS HB3 . 11130 1
49 . 1 1 11 11 LYS HD2 H 1 1.552 0.030 . 1 . . . . 11 LYS HD2 . 11130 1
50 . 1 1 11 11 LYS HD3 H 1 1.552 0.030 . 1 . . . . 11 LYS HD3 . 11130 1
51 . 1 1 11 11 LYS HE2 H 1 2.873 0.030 . 2 . . . . 11 LYS HE2 . 11130 1
52 . 1 1 11 11 LYS HG2 H 1 1.315 0.030 . 1 . . . . 11 LYS HG2 . 11130 1
53 . 1 1 11 11 LYS HG3 H 1 1.315 0.030 . 1 . . . . 11 LYS HG3 . 11130 1
54 . 1 1 11 11 LYS C C 13 173.690 0.300 . 1 . . . . 11 LYS C . 11130 1
55 . 1 1 11 11 LYS CA C 13 53.687 0.300 . 1 . . . . 11 LYS CA . 11130 1
56 . 1 1 11 11 LYS CB C 13 30.837 0.300 . 1 . . . . 11 LYS CB . 11130 1
57 . 1 1 11 11 LYS CD C 13 26.594 0.300 . 1 . . . . 11 LYS CD . 11130 1
58 . 1 1 11 11 LYS CE C 13 39.694 0.300 . 1 . . . . 11 LYS CE . 11130 1
59 . 1 1 11 11 LYS CG C 13 22.392 0.300 . 1 . . . . 11 LYS CG . 11130 1
60 . 1 1 11 11 LYS N N 15 123.705 0.300 . 1 . . . . 11 LYS N . 11130 1
61 . 1 1 12 12 GLU H H 1 8.365 0.030 . 1 . . . . 12 GLU H . 11130 1
62 . 1 1 12 12 GLU HA H 1 4.449 0.030 . 1 . . . . 12 GLU HA . 11130 1
63 . 1 1 12 12 GLU HB2 H 1 1.922 0.030 . 2 . . . . 12 GLU HB2 . 11130 1
64 . 1 1 12 12 GLU HB3 H 1 1.742 0.030 . 2 . . . . 12 GLU HB3 . 11130 1
65 . 1 1 12 12 GLU HG2 H 1 2.175 0.030 . 1 . . . . 12 GLU HG2 . 11130 1
66 . 1 1 12 12 GLU HG3 H 1 2.175 0.030 . 1 . . . . 12 GLU HG3 . 11130 1
67 . 1 1 12 12 GLU C C 13 171.598 0.300 . 1 . . . . 12 GLU C . 11130 1
68 . 1 1 12 12 GLU CA C 13 52.099 0.300 . 1 . . . . 12 GLU CA . 11130 1
69 . 1 1 12 12 GLU CB C 13 27.134 0.300 . 1 . . . . 12 GLU CB . 11130 1
70 . 1 1 12 12 GLU CG C 13 33.583 0.300 . 1 . . . . 12 GLU CG . 11130 1
71 . 1 1 12 12 GLU N N 15 123.668 0.300 . 1 . . . . 12 GLU N . 11130 1
72 . 1 1 13 13 PRO HA H 1 4.535 0.030 . 1 . . . . 13 PRO HA . 11130 1
73 . 1 1 13 13 PRO HB2 H 1 1.743 0.030 . 2 . . . . 13 PRO HB2 . 11130 1
74 . 1 1 13 13 PRO HB3 H 1 2.219 0.030 . 2 . . . . 13 PRO HB3 . 11130 1
75 . 1 1 13 13 PRO HD2 H 1 3.701 0.030 . 2 . . . . 13 PRO HD2 . 11130 1
76 . 1 1 13 13 PRO HD3 H 1 3.576 0.030 . 2 . . . . 13 PRO HD3 . 11130 1
77 . 1 1 13 13 PRO HG2 H 1 1.912 0.030 . 1 . . . . 13 PRO HG2 . 11130 1
78 . 1 1 13 13 PRO HG3 H 1 1.912 0.030 . 1 . . . . 13 PRO HG3 . 11130 1
79 . 1 1 13 13 PRO CA C 13 59.098 0.300 . 1 . . . . 13 PRO CA . 11130 1
80 . 1 1 13 13 PRO CB C 13 28.408 0.300 . 1 . . . . 13 PRO CB . 11130 1
81 . 1 1 13 13 PRO CD C 13 48.186 0.300 . 1 . . . . 13 PRO CD . 11130 1
82 . 1 1 13 13 PRO CG C 13 25.043 0.300 . 1 . . . . 13 PRO CG . 11130 1
83 . 1 1 14 14 PRO HA H 1 4.182 0.030 . 1 . . . . 14 PRO HA . 11130 1
84 . 1 1 14 14 PRO HB2 H 1 1.940 0.030 . 2 . . . . 14 PRO HB2 . 11130 1
85 . 1 1 14 14 PRO HB3 H 1 1.399 0.030 . 2 . . . . 14 PRO HB3 . 11130 1
86 . 1 1 14 14 PRO HD2 H 1 3.404 0.030 . 2 . . . . 14 PRO HD2 . 11130 1
87 . 1 1 14 14 PRO HD3 H 1 3.602 0.030 . 2 . . . . 14 PRO HD3 . 11130 1
88 . 1 1 14 14 PRO HG2 H 1 1.704 0.030 . 2 . . . . 14 PRO HG2 . 11130 1
89 . 1 1 14 14 PRO HG3 H 1 1.810 0.030 . 2 . . . . 14 PRO HG3 . 11130 1
90 . 1 1 14 14 PRO C C 13 173.579 0.300 . 1 . . . . 14 PRO C . 11130 1
91 . 1 1 14 14 PRO CA C 13 60.146 0.300 . 1 . . . . 14 PRO CA . 11130 1
92 . 1 1 14 14 PRO CB C 13 29.535 0.300 . 1 . . . . 14 PRO CB . 11130 1
93 . 1 1 14 14 PRO CD C 13 47.933 0.300 . 1 . . . . 14 PRO CD . 11130 1
94 . 1 1 14 14 PRO CG C 13 24.910 0.300 . 1 . . . . 14 PRO CG . 11130 1
95 . 1 1 15 15 VAL H H 1 7.806 0.030 . 1 . . . . 15 VAL H . 11130 1
96 . 1 1 15 15 VAL HA H 1 3.693 0.030 . 1 . . . . 15 VAL HA . 11130 1
97 . 1 1 15 15 VAL HB H 1 1.630 0.030 . 1 . . . . 15 VAL HB . 11130 1
98 . 1 1 15 15 VAL HG11 H 1 0.654 0.030 . 1 . . . . 15 VAL HG1 . 11130 1
99 . 1 1 15 15 VAL HG12 H 1 0.654 0.030 . 1 . . . . 15 VAL HG1 . 11130 1
100 . 1 1 15 15 VAL HG13 H 1 0.654 0.030 . 1 . . . . 15 VAL HG1 . 11130 1
101 . 1 1 15 15 VAL HG21 H 1 0.550 0.030 . 1 . . . . 15 VAL HG2 . 11130 1
102 . 1 1 15 15 VAL HG22 H 1 0.550 0.030 . 1 . . . . 15 VAL HG2 . 11130 1
103 . 1 1 15 15 VAL HG23 H 1 0.550 0.030 . 1 . . . . 15 VAL HG2 . 11130 1
104 . 1 1 15 15 VAL C C 13 173.194 0.300 . 1 . . . . 15 VAL C . 11130 1
105 . 1 1 15 15 VAL CA C 13 59.909 0.300 . 1 . . . . 15 VAL CA . 11130 1
106 . 1 1 15 15 VAL CB C 13 30.356 0.300 . 1 . . . . 15 VAL CB . 11130 1
107 . 1 1 15 15 VAL CG1 C 13 18.308 0.300 . 2 . . . . 15 VAL CG1 . 11130 1
108 . 1 1 15 15 VAL CG2 C 13 18.598 0.300 . 2 . . . . 15 VAL CG2 . 11130 1
109 . 1 1 15 15 VAL N N 15 119.422 0.300 . 1 . . . . 15 VAL N . 11130 1
110 . 1 1 16 16 TYR H H 1 7.752 0.030 . 1 . . . . 16 TYR H . 11130 1
111 . 1 1 16 16 TYR HA H 1 4.542 0.030 . 1 . . . . 16 TYR HA . 11130 1
112 . 1 1 16 16 TYR HB2 H 1 2.852 0.030 . 2 . . . . 16 TYR HB2 . 11130 1
113 . 1 1 16 16 TYR HB3 H 1 2.419 0.030 . 2 . . . . 16 TYR HB3 . 11130 1
114 . 1 1 16 16 TYR HD1 H 1 6.773 0.030 . 1 . . . . 16 TYR HD1 . 11130 1
115 . 1 1 16 16 TYR HD2 H 1 6.773 0.030 . 1 . . . . 16 TYR HD2 . 11130 1
116 . 1 1 16 16 TYR HE1 H 1 6.412 0.030 . 1 . . . . 16 TYR HE1 . 11130 1
117 . 1 1 16 16 TYR HE2 H 1 6.412 0.030 . 1 . . . . 16 TYR HE2 . 11130 1
118 . 1 1 16 16 TYR C C 13 172.745 0.300 . 1 . . . . 16 TYR C . 11130 1
119 . 1 1 16 16 TYR CA C 13 54.040 0.300 . 1 . . . . 16 TYR CA . 11130 1
120 . 1 1 16 16 TYR CB C 13 37.217 0.300 . 1 . . . . 16 TYR CB . 11130 1
121 . 1 1 16 16 TYR CD1 C 13 130.676 0.300 . 1 . . . . 16 TYR CD1 . 11130 1
122 . 1 1 16 16 TYR CD2 C 13 130.676 0.300 . 1 . . . . 16 TYR CD2 . 11130 1
123 . 1 1 16 16 TYR CE1 C 13 115.367 0.300 . 1 . . . . 16 TYR CE1 . 11130 1
124 . 1 1 16 16 TYR CE2 C 13 115.367 0.300 . 1 . . . . 16 TYR CE2 . 11130 1
125 . 1 1 16 16 TYR N N 15 122.567 0.300 . 1 . . . . 16 TYR N . 11130 1
126 . 1 1 17 17 ALA H H 1 8.580 0.030 . 1 . . . . 17 ALA H . 11130 1
127 . 1 1 17 17 ALA HA H 1 4.101 0.030 . 1 . . . . 17 ALA HA . 11130 1
128 . 1 1 17 17 ALA HB1 H 1 1.274 0.030 . 1 . . . . 17 ALA HB . 11130 1
129 . 1 1 17 17 ALA HB2 H 1 1.274 0.030 . 1 . . . . 17 ALA HB . 11130 1
130 . 1 1 17 17 ALA HB3 H 1 1.274 0.030 . 1 . . . . 17 ALA HB . 11130 1
131 . 1 1 17 17 ALA C C 13 175.995 0.300 . 1 . . . . 17 ALA C . 11130 1
132 . 1 1 17 17 ALA CA C 13 49.644 0.300 . 1 . . . . 17 ALA CA . 11130 1
133 . 1 1 17 17 ALA CB C 13 16.647 0.300 . 1 . . . . 17 ALA CB . 11130 1
134 . 1 1 17 17 ALA N N 15 124.236 0.300 . 1 . . . . 17 ALA N . 11130 1
135 . 1 1 18 18 ALA H H 1 8.577 0.030 . 1 . . . . 18 ALA H . 11130 1
136 . 1 1 18 18 ALA HA H 1 4.227 0.030 . 1 . . . . 18 ALA HA . 11130 1
137 . 1 1 18 18 ALA HB1 H 1 1.296 0.030 . 1 . . . . 18 ALA HB . 11130 1
138 . 1 1 18 18 ALA HB2 H 1 1.296 0.030 . 1 . . . . 18 ALA HB . 11130 1
139 . 1 1 18 18 ALA HB3 H 1 1.296 0.030 . 1 . . . . 18 ALA HB . 11130 1
140 . 1 1 18 18 ALA C C 13 176.994 0.300 . 1 . . . . 18 ALA C . 11130 1
141 . 1 1 18 18 ALA CA C 13 50.902 0.300 . 1 . . . . 18 ALA CA . 11130 1
142 . 1 1 18 18 ALA CB C 13 15.949 0.300 . 1 . . . . 18 ALA CB . 11130 1
143 . 1 1 18 18 ALA N N 15 126.553 0.300 . 1 . . . . 18 ALA N . 11130 1
144 . 1 1 19 19 GLY H H 1 9.087 0.030 . 1 . . . . 19 GLY H . 11130 1
145 . 1 1 19 19 GLY HA2 H 1 4.001 0.030 . 2 . . . . 19 GLY HA2 . 11130 1
146 . 1 1 19 19 GLY HA3 H 1 3.673 0.030 . 2 . . . . 19 GLY HA3 . 11130 1
147 . 1 1 19 19 GLY C C 13 171.929 0.300 . 1 . . . . 19 GLY C . 11130 1
148 . 1 1 19 19 GLY CA C 13 43.234 0.300 . 1 . . . . 19 GLY CA . 11130 1
149 . 1 1 19 19 GLY N N 15 111.980 0.300 . 1 . . . . 19 GLY N . 11130 1
150 . 1 1 20 20 SER H H 1 7.730 0.030 . 1 . . . . 20 SER H . 11130 1
151 . 1 1 20 20 SER HA H 1 4.241 0.030 . 1 . . . . 20 SER HA . 11130 1
152 . 1 1 20 20 SER HB2 H 1 3.813 0.030 . 2 . . . . 20 SER HB2 . 11130 1
153 . 1 1 20 20 SER HB3 H 1 4.201 0.030 . 2 . . . . 20 SER HB3 . 11130 1
154 . 1 1 20 20 SER C C 13 173.123 0.300 . 1 . . . . 20 SER C . 11130 1
155 . 1 1 20 20 SER CA C 13 55.645 0.300 . 1 . . . . 20 SER CA . 11130 1
156 . 1 1 20 20 SER CB C 13 63.536 0.300 . 1 . . . . 20 SER CB . 11130 1
157 . 1 1 20 20 SER N N 15 114.399 0.300 . 1 . . . . 20 SER N . 11130 1
158 . 1 1 21 21 LEU H H 1 8.495 0.030 . 1 . . . . 21 LEU H . 11130 1
159 . 1 1 21 21 LEU HA H 1 3.457 0.030 . 1 . . . . 21 LEU HA . 11130 1
160 . 1 1 21 21 LEU HB2 H 1 0.906 0.030 . 2 . . . . 21 LEU HB2 . 11130 1
161 . 1 1 21 21 LEU HB3 H 1 0.217 0.030 . 2 . . . . 21 LEU HB3 . 11130 1
162 . 1 1 21 21 LEU HD11 H 1 0.653 0.030 . 1 . . . . 21 LEU HD1 . 11130 1
163 . 1 1 21 21 LEU HD12 H 1 0.653 0.030 . 1 . . . . 21 LEU HD1 . 11130 1
164 . 1 1 21 21 LEU HD13 H 1 0.653 0.030 . 1 . . . . 21 LEU HD1 . 11130 1
165 . 1 1 21 21 LEU HD21 H 1 0.539 0.030 . 1 . . . . 21 LEU HD2 . 11130 1
166 . 1 1 21 21 LEU HD22 H 1 0.539 0.030 . 1 . . . . 21 LEU HD2 . 11130 1
167 . 1 1 21 21 LEU HD23 H 1 0.539 0.030 . 1 . . . . 21 LEU HD2 . 11130 1
168 . 1 1 21 21 LEU HG H 1 0.859 0.030 . 1 . . . . 21 LEU HG . 11130 1
169 . 1 1 21 21 LEU C C 13 175.139 0.300 . 1 . . . . 21 LEU C . 11130 1
170 . 1 1 21 21 LEU CA C 13 54.996 0.300 . 1 . . . . 21 LEU CA . 11130 1
171 . 1 1 21 21 LEU CB C 13 38.346 0.300 . 1 . . . . 21 LEU CB . 11130 1
172 . 1 1 21 21 LEU CD1 C 13 22.281 0.300 . 2 . . . . 21 LEU CD1 . 11130 1
173 . 1 1 21 21 LEU CD2 C 13 21.286 0.300 . 2 . . . . 21 LEU CD2 . 11130 1
174 . 1 1 21 21 LEU CG C 13 24.125 0.300 . 1 . . . . 21 LEU CG . 11130 1
175 . 1 1 21 21 LEU N N 15 123.363 0.300 . 1 . . . . 21 LEU N . 11130 1
176 . 1 1 22 22 GLU H H 1 8.456 0.030 . 1 . . . . 22 GLU H . 11130 1
177 . 1 1 22 22 GLU HA H 1 3.391 0.030 . 1 . . . . 22 GLU HA . 11130 1
178 . 1 1 22 22 GLU HB2 H 1 1.672 0.030 . 2 . . . . 22 GLU HB2 . 11130 1
179 . 1 1 22 22 GLU HB3 H 1 1.116 0.030 . 2 . . . . 22 GLU HB3 . 11130 1
180 . 1 1 22 22 GLU HG2 H 1 1.943 0.030 . 2 . . . . 22 GLU HG2 . 11130 1
181 . 1 1 22 22 GLU HG3 H 1 2.313 0.030 . 2 . . . . 22 GLU HG3 . 11130 1
182 . 1 1 22 22 GLU C C 13 175.380 0.300 . 1 . . . . 22 GLU C . 11130 1
183 . 1 1 22 22 GLU CA C 13 58.879 0.300 . 1 . . . . 22 GLU CA . 11130 1
184 . 1 1 22 22 GLU CB C 13 25.827 0.300 . 1 . . . . 22 GLU CB . 11130 1
185 . 1 1 22 22 GLU CG C 13 35.634 0.300 . 1 . . . . 22 GLU CG . 11130 1
186 . 1 1 22 22 GLU N N 15 114.907 0.300 . 1 . . . . 22 GLU N . 11130 1
187 . 1 1 23 23 GLU H H 1 7.469 0.030 . 1 . . . . 23 GLU H . 11130 1
188 . 1 1 23 23 GLU HA H 1 3.653 0.030 . 1 . . . . 23 GLU HA . 11130 1
189 . 1 1 23 23 GLU HB2 H 1 2.109 0.030 . 2 . . . . 23 GLU HB2 . 11130 1
190 . 1 1 23 23 GLU HB3 H 1 1.810 0.030 . 2 . . . . 23 GLU HB3 . 11130 1
191 . 1 1 23 23 GLU HG2 H 1 2.137 0.030 . 2 . . . . 23 GLU HG2 . 11130 1
192 . 1 1 23 23 GLU HG3 H 1 2.071 0.030 . 2 . . . . 23 GLU HG3 . 11130 1
193 . 1 1 23 23 GLU C C 13 175.358 0.300 . 1 . . . . 23 GLU C . 11130 1
194 . 1 1 23 23 GLU CA C 13 57.371 0.300 . 1 . . . . 23 GLU CA . 11130 1
195 . 1 1 23 23 GLU CB C 13 27.335 0.300 . 1 . . . . 23 GLU CB . 11130 1
196 . 1 1 23 23 GLU CG C 13 34.532 0.300 . 1 . . . . 23 GLU CG . 11130 1
197 . 1 1 23 23 GLU N N 15 117.534 0.300 . 1 . . . . 23 GLU N . 11130 1
198 . 1 1 24 24 GLN H H 1 7.292 0.030 . 1 . . . . 24 GLN H . 11130 1
199 . 1 1 24 24 GLN HA H 1 3.863 0.030 . 1 . . . . 24 GLN HA . 11130 1
200 . 1 1 24 24 GLN HB2 H 1 2.048 0.030 . 1 . . . . 24 GLN HB2 . 11130 1
201 . 1 1 24 24 GLN HB3 H 1 2.048 0.030 . 1 . . . . 24 GLN HB3 . 11130 1
202 . 1 1 24 24 GLN HE21 H 1 6.716 0.030 . 2 . . . . 24 GLN HE21 . 11130 1
203 . 1 1 24 24 GLN HE22 H 1 7.298 0.030 . 2 . . . . 24 GLN HE22 . 11130 1
204 . 1 1 24 24 GLN HG2 H 1 2.346 0.030 . 2 . . . . 24 GLN HG2 . 11130 1
205 . 1 1 24 24 GLN HG3 H 1 2.273 0.030 . 2 . . . . 24 GLN HG3 . 11130 1
206 . 1 1 24 24 GLN C C 13 177.479 0.300 . 1 . . . . 24 GLN C . 11130 1
207 . 1 1 24 24 GLN CA C 13 56.635 0.300 . 1 . . . . 24 GLN CA . 11130 1
208 . 1 1 24 24 GLN CB C 13 25.658 0.300 . 1 . . . . 24 GLN CB . 11130 1
209 . 1 1 24 24 GLN CG C 13 31.497 0.300 . 1 . . . . 24 GLN CG . 11130 1
210 . 1 1 24 24 GLN N N 15 117.735 0.300 . 1 . . . . 24 GLN N . 11130 1
211 . 1 1 24 24 GLN NE2 N 15 111.987 0.300 . 1 . . . . 24 GLN NE2 . 11130 1
212 . 1 1 25 25 TRP H H 1 8.539 0.030 . 1 . . . . 25 TRP H . 11130 1
213 . 1 1 25 25 TRP HA H 1 4.527 0.030 . 1 . . . . 25 TRP HA . 11130 1
214 . 1 1 25 25 TRP HB2 H 1 3.341 0.030 . 2 . . . . 25 TRP HB2 . 11130 1
215 . 1 1 25 25 TRP HB3 H 1 2.754 0.030 . 2 . . . . 25 TRP HB3 . 11130 1
216 . 1 1 25 25 TRP HD1 H 1 6.986 0.030 . 1 . . . . 25 TRP HD1 . 11130 1
217 . 1 1 25 25 TRP HE1 H 1 9.905 0.030 . 1 . . . . 25 TRP HE1 . 11130 1
218 . 1 1 25 25 TRP HE3 H 1 7.142 0.030 . 1 . . . . 25 TRP HE3 . 11130 1
219 . 1 1 25 25 TRP HH2 H 1 6.985 0.030 . 1 . . . . 25 TRP HH2 . 11130 1
220 . 1 1 25 25 TRP HZ2 H 1 7.193 0.030 . 1 . . . . 25 TRP HZ2 . 11130 1
221 . 1 1 25 25 TRP HZ3 H 1 6.715 0.030 . 1 . . . . 25 TRP HZ3 . 11130 1
222 . 1 1 25 25 TRP C C 13 175.570 0.300 . 1 . . . . 25 TRP C . 11130 1
223 . 1 1 25 25 TRP CA C 13 55.714 0.300 . 1 . . . . 25 TRP CA . 11130 1
224 . 1 1 25 25 TRP CB C 13 27.088 0.300 . 1 . . . . 25 TRP CB . 11130 1
225 . 1 1 25 25 TRP CD1 C 13 122.386 0.300 . 1 . . . . 25 TRP CD1 . 11130 1
226 . 1 1 25 25 TRP CE3 C 13 117.191 0.300 . 1 . . . . 25 TRP CE3 . 11130 1
227 . 1 1 25 25 TRP CH2 C 13 122.396 0.300 . 1 . . . . 25 TRP CH2 . 11130 1
228 . 1 1 25 25 TRP CZ2 C 13 112.161 0.300 . 1 . . . . 25 TRP CZ2 . 11130 1
229 . 1 1 25 25 TRP CZ3 C 13 118.078 0.300 . 1 . . . . 25 TRP CZ3 . 11130 1
230 . 1 1 25 25 TRP N N 15 121.446 0.300 . 1 . . . . 25 TRP N . 11130 1
231 . 1 1 25 25 TRP NE1 N 15 127.091 0.300 . 1 . . . . 25 TRP NE1 . 11130 1
232 . 1 1 26 26 TYR H H 1 8.668 0.030 . 1 . . . . 26 TYR H . 11130 1
233 . 1 1 26 26 TYR HA H 1 4.010 0.030 . 1 . . . . 26 TYR HA . 11130 1
234 . 1 1 26 26 TYR HB2 H 1 3.009 0.030 . 1 . . . . 26 TYR HB2 . 11130 1
235 . 1 1 26 26 TYR HB3 H 1 3.009 0.030 . 1 . . . . 26 TYR HB3 . 11130 1
236 . 1 1 26 26 TYR HD1 H 1 7.044 0.030 . 1 . . . . 26 TYR HD1 . 11130 1
237 . 1 1 26 26 TYR HD2 H 1 7.044 0.030 . 1 . . . . 26 TYR HD2 . 11130 1
238 . 1 1 26 26 TYR HE1 H 1 6.758 0.030 . 1 . . . . 26 TYR HE1 . 11130 1
239 . 1 1 26 26 TYR HE2 H 1 6.758 0.030 . 1 . . . . 26 TYR HE2 . 11130 1
240 . 1 1 26 26 TYR C C 13 174.661 0.300 . 1 . . . . 26 TYR C . 11130 1
241 . 1 1 26 26 TYR CA C 13 59.567 0.300 . 1 . . . . 26 TYR CA . 11130 1
242 . 1 1 26 26 TYR CB C 13 35.996 0.300 . 1 . . . . 26 TYR CB . 11130 1
243 . 1 1 26 26 TYR CD1 C 13 130.806 0.300 . 1 . . . . 26 TYR CD1 . 11130 1
244 . 1 1 26 26 TYR CD2 C 13 130.806 0.300 . 1 . . . . 26 TYR CD2 . 11130 1
245 . 1 1 26 26 TYR CE1 C 13 115.943 0.300 . 1 . . . . 26 TYR CE1 . 11130 1
246 . 1 1 26 26 TYR CE2 C 13 115.943 0.300 . 1 . . . . 26 TYR CE2 . 11130 1
247 . 1 1 26 26 TYR N N 15 120.061 0.300 . 1 . . . . 26 TYR N . 11130 1
248 . 1 1 27 27 LEU H H 1 8.131 0.030 . 1 . . . . 27 LEU H . 11130 1
249 . 1 1 27 27 LEU HA H 1 3.775 0.030 . 1 . . . . 27 LEU HA . 11130 1
250 . 1 1 27 27 LEU HB2 H 1 1.842 0.030 . 2 . . . . 27 LEU HB2 . 11130 1
251 . 1 1 27 27 LEU HB3 H 1 1.427 0.030 . 2 . . . . 27 LEU HB3 . 11130 1
252 . 1 1 27 27 LEU HD11 H 1 0.837 0.030 . 1 . . . . 27 LEU HD1 . 11130 1
253 . 1 1 27 27 LEU HD12 H 1 0.837 0.030 . 1 . . . . 27 LEU HD1 . 11130 1
254 . 1 1 27 27 LEU HD13 H 1 0.837 0.030 . 1 . . . . 27 LEU HD1 . 11130 1
255 . 1 1 27 27 LEU HD21 H 1 0.842 0.030 . 1 . . . . 27 LEU HD2 . 11130 1
256 . 1 1 27 27 LEU HD22 H 1 0.842 0.030 . 1 . . . . 27 LEU HD2 . 11130 1
257 . 1 1 27 27 LEU HD23 H 1 0.842 0.030 . 1 . . . . 27 LEU HD2 . 11130 1
258 . 1 1 27 27 LEU HG H 1 1.921 0.030 . 1 . . . . 27 LEU HG . 11130 1
259 . 1 1 27 27 LEU C C 13 177.350 0.300 . 1 . . . . 27 LEU C . 11130 1
260 . 1 1 27 27 LEU CA C 13 55.367 0.300 . 1 . . . . 27 LEU CA . 11130 1
261 . 1 1 27 27 LEU CB C 13 38.854 0.300 . 1 . . . . 27 LEU CB . 11130 1
262 . 1 1 27 27 LEU CD1 C 13 23.145 0.300 . 2 . . . . 27 LEU CD1 . 11130 1
263 . 1 1 27 27 LEU CD2 C 13 20.211 0.300 . 2 . . . . 27 LEU CD2 . 11130 1
264 . 1 1 27 27 LEU CG C 13 24.543 0.300 . 1 . . . . 27 LEU CG . 11130 1
265 . 1 1 27 27 LEU N N 15 117.663 0.300 . 1 . . . . 27 LEU N . 11130 1
266 . 1 1 28 28 GLU H H 1 7.607 0.030 . 1 . . . . 28 GLU H . 11130 1
267 . 1 1 28 28 GLU HA H 1 4.076 0.030 . 1 . . . . 28 GLU HA . 11130 1
268 . 1 1 28 28 GLU HB2 H 1 2.192 0.030 . 1 . . . . 28 GLU HB2 . 11130 1
269 . 1 1 28 28 GLU HB3 H 1 2.192 0.030 . 1 . . . . 28 GLU HB3 . 11130 1
270 . 1 1 28 28 GLU HG2 H 1 2.501 0.030 . 2 . . . . 28 GLU HG2 . 11130 1
271 . 1 1 28 28 GLU HG3 H 1 2.422 0.030 . 2 . . . . 28 GLU HG3 . 11130 1
272 . 1 1 28 28 GLU C C 13 175.703 0.300 . 1 . . . . 28 GLU C . 11130 1
273 . 1 1 28 28 GLU CA C 13 57.741 0.300 . 1 . . . . 28 GLU CA . 11130 1
274 . 1 1 28 28 GLU CB C 13 27.258 0.300 . 1 . . . . 28 GLU CB . 11130 1
275 . 1 1 28 28 GLU CG C 13 34.090 0.300 . 1 . . . . 28 GLU CG . 11130 1
276 . 1 1 28 28 GLU N N 15 120.456 0.300 . 1 . . . . 28 GLU N . 11130 1
277 . 1 1 29 29 ILE H H 1 7.801 0.030 . 1 . . . . 29 ILE H . 11130 1
278 . 1 1 29 29 ILE HA H 1 3.022 0.030 . 1 . . . . 29 ILE HA . 11130 1
279 . 1 1 29 29 ILE HB H 1 1.782 0.030 . 1 . . . . 29 ILE HB . 11130 1
280 . 1 1 29 29 ILE HD11 H 1 0.598 0.030 . 1 . . . . 29 ILE HD1 . 11130 1
281 . 1 1 29 29 ILE HD12 H 1 0.598 0.030 . 1 . . . . 29 ILE HD1 . 11130 1
282 . 1 1 29 29 ILE HD13 H 1 0.598 0.030 . 1 . . . . 29 ILE HD1 . 11130 1
283 . 1 1 29 29 ILE HG12 H 1 1.598 0.030 . 2 . . . . 29 ILE HG12 . 11130 1
284 . 1 1 29 29 ILE HG13 H 1 0.405 0.030 . 2 . . . . 29 ILE HG13 . 11130 1
285 . 1 1 29 29 ILE HG21 H 1 0.607 0.030 . 1 . . . . 29 ILE HG2 . 11130 1
286 . 1 1 29 29 ILE HG22 H 1 0.607 0.030 . 1 . . . . 29 ILE HG2 . 11130 1
287 . 1 1 29 29 ILE HG23 H 1 0.607 0.030 . 1 . . . . 29 ILE HG2 . 11130 1
288 . 1 1 29 29 ILE C C 13 177.638 0.300 . 1 . . . . 29 ILE C . 11130 1
289 . 1 1 29 29 ILE CA C 13 63.627 0.300 . 1 . . . . 29 ILE CA . 11130 1
290 . 1 1 29 29 ILE CB C 13 35.082 0.300 . 1 . . . . 29 ILE CB . 11130 1
291 . 1 1 29 29 ILE CD1 C 13 11.531 0.300 . 1 . . . . 29 ILE CD1 . 11130 1
292 . 1 1 29 29 ILE CG1 C 13 28.342 0.300 . 1 . . . . 29 ILE CG1 . 11130 1
293 . 1 1 29 29 ILE CG2 C 13 14.983 0.300 . 1 . . . . 29 ILE CG2 . 11130 1
294 . 1 1 29 29 ILE N N 15 120.171 0.300 . 1 . . . . 29 ILE N . 11130 1
295 . 1 1 30 30 VAL H H 1 8.110 0.030 . 1 . . . . 30 VAL H . 11130 1
296 . 1 1 30 30 VAL HA H 1 3.338 0.030 . 1 . . . . 30 VAL HA . 11130 1
297 . 1 1 30 30 VAL HB H 1 1.836 0.030 . 1 . . . . 30 VAL HB . 11130 1
298 . 1 1 30 30 VAL HG11 H 1 0.542 0.030 . 1 . . . . 30 VAL HG1 . 11130 1
299 . 1 1 30 30 VAL HG12 H 1 0.542 0.030 . 1 . . . . 30 VAL HG1 . 11130 1
300 . 1 1 30 30 VAL HG13 H 1 0.542 0.030 . 1 . . . . 30 VAL HG1 . 11130 1
301 . 1 1 30 30 VAL HG21 H 1 0.743 0.030 . 1 . . . . 30 VAL HG2 . 11130 1
302 . 1 1 30 30 VAL HG22 H 1 0.743 0.030 . 1 . . . . 30 VAL HG2 . 11130 1
303 . 1 1 30 30 VAL HG23 H 1 0.743 0.030 . 1 . . . . 30 VAL HG2 . 11130 1
304 . 1 1 30 30 VAL C C 13 175.308 0.300 . 1 . . . . 30 VAL C . 11130 1
305 . 1 1 30 30 VAL CA C 13 64.099 0.300 . 1 . . . . 30 VAL CA . 11130 1
306 . 1 1 30 30 VAL CB C 13 29.426 0.300 . 1 . . . . 30 VAL CB . 11130 1
307 . 1 1 30 30 VAL CG1 C 13 20.094 0.300 . 2 . . . . 30 VAL CG1 . 11130 1
308 . 1 1 30 30 VAL CG2 C 13 18.859 0.300 . 2 . . . . 30 VAL CG2 . 11130 1
309 . 1 1 30 30 VAL N N 15 120.547 0.300 . 1 . . . . 30 VAL N . 11130 1
310 . 1 1 31 31 ASP H H 1 7.834 0.030 . 1 . . . . 31 ASP H . 11130 1
311 . 1 1 31 31 ASP HA H 1 4.404 0.030 . 1 . . . . 31 ASP HA . 11130 1
312 . 1 1 31 31 ASP HB2 H 1 2.604 0.030 . 2 . . . . 31 ASP HB2 . 11130 1
313 . 1 1 31 31 ASP HB3 H 1 2.731 0.030 . 2 . . . . 31 ASP HB3 . 11130 1
314 . 1 1 31 31 ASP C C 13 175.510 0.300 . 1 . . . . 31 ASP C . 11130 1
315 . 1 1 31 31 ASP CA C 13 54.739 0.300 . 1 . . . . 31 ASP CA . 11130 1
316 . 1 1 31 31 ASP CB C 13 40.387 0.300 . 1 . . . . 31 ASP CB . 11130 1
317 . 1 1 31 31 ASP N N 15 117.670 0.300 . 1 . . . . 31 ASP N . 11130 1
318 . 1 1 32 32 LYS H H 1 8.767 0.030 . 1 . . . . 32 LYS H . 11130 1
319 . 1 1 32 32 LYS HA H 1 4.431 0.030 . 1 . . . . 32 LYS HA . 11130 1
320 . 1 1 32 32 LYS HB2 H 1 2.074 0.030 . 2 . . . . 32 LYS HB2 . 11130 1
321 . 1 1 32 32 LYS HB3 H 1 1.839 0.030 . 2 . . . . 32 LYS HB3 . 11130 1
322 . 1 1 32 32 LYS HD2 H 1 1.593 0.030 . 1 . . . . 32 LYS HD2 . 11130 1
323 . 1 1 32 32 LYS HD3 H 1 1.593 0.030 . 1 . . . . 32 LYS HD3 . 11130 1
324 . 1 1 32 32 LYS HE2 H 1 2.930 0.030 . 1 . . . . 32 LYS HE2 . 11130 1
325 . 1 1 32 32 LYS HE3 H 1 2.930 0.030 . 1 . . . . 32 LYS HE3 . 11130 1
326 . 1 1 32 32 LYS HG2 H 1 1.476 0.030 . 2 . . . . 32 LYS HG2 . 11130 1
327 . 1 1 32 32 LYS HG3 H 1 1.403 0.030 . 2 . . . . 32 LYS HG3 . 11130 1
328 . 1 1 32 32 LYS C C 13 176.005 0.300 . 1 . . . . 32 LYS C . 11130 1
329 . 1 1 32 32 LYS CA C 13 53.845 0.300 . 1 . . . . 32 LYS CA . 11130 1
330 . 1 1 32 32 LYS CB C 13 32.237 0.300 . 1 . . . . 32 LYS CB . 11130 1
331 . 1 1 32 32 LYS CD C 13 26.570 0.300 . 1 . . . . 32 LYS CD . 11130 1
332 . 1 1 32 32 LYS CE C 13 39.930 0.300 . 1 . . . . 32 LYS CE . 11130 1
333 . 1 1 32 32 LYS CG C 13 22.831 0.300 . 1 . . . . 32 LYS CG . 11130 1
334 . 1 1 32 32 LYS N N 15 113.752 0.300 . 1 . . . . 32 LYS N . 11130 1
335 . 1 1 33 33 GLY H H 1 8.328 0.030 . 1 . . . . 33 GLY H . 11130 1
336 . 1 1 33 33 GLY HA2 H 1 4.263 0.030 . 2 . . . . 33 GLY HA2 . 11130 1
337 . 1 1 33 33 GLY HA3 H 1 3.670 0.030 . 2 . . . . 33 GLY HA3 . 11130 1
338 . 1 1 33 33 GLY C C 13 170.465 0.300 . 1 . . . . 33 GLY C . 11130 1
339 . 1 1 33 33 GLY CA C 13 43.340 0.300 . 1 . . . . 33 GLY CA . 11130 1
340 . 1 1 33 33 GLY N N 15 110.847 0.300 . 1 . . . . 33 GLY N . 11130 1
341 . 1 1 34 34 SER H H 1 7.235 0.030 . 1 . . . . 34 SER H . 11130 1
342 . 1 1 34 34 SER HA H 1 4.360 0.030 . 1 . . . . 34 SER HA . 11130 1
343 . 1 1 34 34 SER HB2 H 1 3.547 0.030 . 2 . . . . 34 SER HB2 . 11130 1
344 . 1 1 34 34 SER HB3 H 1 3.278 0.030 . 2 . . . . 34 SER HB3 . 11130 1
345 . 1 1 34 34 SER C C 13 168.324 0.300 . 1 . . . . 34 SER C . 11130 1
346 . 1 1 34 34 SER CA C 13 54.657 0.300 . 1 . . . . 34 SER CA . 11130 1
347 . 1 1 34 34 SER CB C 13 62.187 0.300 . 1 . . . . 34 SER CB . 11130 1
348 . 1 1 34 34 SER N N 15 110.012 0.300 . 1 . . . . 34 SER N . 11130 1
349 . 1 1 35 35 VAL H H 1 8.633 0.030 . 1 . . . . 35 VAL H . 11130 1
350 . 1 1 35 35 VAL HA H 1 4.525 0.030 . 1 . . . . 35 VAL HA . 11130 1
351 . 1 1 35 35 VAL HB H 1 1.844 0.030 . 1 . . . . 35 VAL HB . 11130 1
352 . 1 1 35 35 VAL HG11 H 1 0.550 0.030 . 1 . . . . 35 VAL HG1 . 11130 1
353 . 1 1 35 35 VAL HG12 H 1 0.550 0.030 . 1 . . . . 35 VAL HG1 . 11130 1
354 . 1 1 35 35 VAL HG13 H 1 0.550 0.030 . 1 . . . . 35 VAL HG1 . 11130 1
355 . 1 1 35 35 VAL HG21 H 1 0.715 0.030 . 1 . . . . 35 VAL HG2 . 11130 1
356 . 1 1 35 35 VAL HG22 H 1 0.715 0.030 . 1 . . . . 35 VAL HG2 . 11130 1
357 . 1 1 35 35 VAL HG23 H 1 0.715 0.030 . 1 . . . . 35 VAL HG2 . 11130 1
358 . 1 1 35 35 VAL C C 13 171.012 0.300 . 1 . . . . 35 VAL C . 11130 1
359 . 1 1 35 35 VAL CA C 13 56.231 0.300 . 1 . . . . 35 VAL CA . 11130 1
360 . 1 1 35 35 VAL CB C 13 32.104 0.300 . 1 . . . . 35 VAL CB . 11130 1
361 . 1 1 35 35 VAL CG1 C 13 17.709 0.300 . 2 . . . . 35 VAL CG1 . 11130 1
362 . 1 1 35 35 VAL CG2 C 13 19.321 0.300 . 2 . . . . 35 VAL CG2 . 11130 1
363 . 1 1 35 35 VAL N N 15 118.344 0.300 . 1 . . . . 35 VAL N . 11130 1
364 . 1 1 36 36 SER H H 1 8.118 0.030 . 1 . . . . 36 SER H . 11130 1
365 . 1 1 36 36 SER HA H 1 4.630 0.030 . 1 . . . . 36 SER HA . 11130 1
366 . 1 1 36 36 SER HB2 H 1 3.480 0.030 . 2 . . . . 36 SER HB2 . 11130 1
367 . 1 1 36 36 SER HB3 H 1 3.428 0.030 . 2 . . . . 36 SER HB3 . 11130 1
368 . 1 1 36 36 SER C C 13 171.243 0.300 . 1 . . . . 36 SER C . 11130 1
369 . 1 1 36 36 SER CA C 13 54.764 0.300 . 1 . . . . 36 SER CA . 11130 1
370 . 1 1 36 36 SER CB C 13 61.843 0.300 . 1 . . . . 36 SER CB . 11130 1
371 . 1 1 36 36 SER N N 15 121.462 0.300 . 1 . . . . 36 SER N . 11130 1
372 . 1 1 37 37 CYS H H 1 8.164 0.030 . 1 . . . . 37 CYS H . 11130 1
373 . 1 1 37 37 CYS HA H 1 4.261 0.030 . 1 . . . . 37 CYS HA . 11130 1
374 . 1 1 37 37 CYS HB2 H 1 3.111 0.030 . 2 . . . . 37 CYS HB2 . 11130 1
375 . 1 1 37 37 CYS HB3 H 1 2.304 0.030 . 2 . . . . 37 CYS HB3 . 11130 1
376 . 1 1 37 37 CYS C C 13 173.856 0.300 . 1 . . . . 37 CYS C . 11130 1
377 . 1 1 37 37 CYS CA C 13 54.820 0.300 . 1 . . . . 37 CYS CA . 11130 1
378 . 1 1 37 37 CYS CB C 13 29.479 0.300 . 1 . . . . 37 CYS CB . 11130 1
379 . 1 1 37 37 CYS N N 15 125.686 0.300 . 1 . . . . 37 CYS N . 11130 1
380 . 1 1 38 38 PRO HA H 1 4.433 0.030 . 1 . . . . 38 PRO HA . 11130 1
381 . 1 1 38 38 PRO HB2 H 1 2.394 0.030 . 2 . . . . 38 PRO HB2 . 11130 1
382 . 1 1 38 38 PRO HB3 H 1 2.045 0.030 . 2 . . . . 38 PRO HB3 . 11130 1
383 . 1 1 38 38 PRO HD2 H 1 3.740 0.030 . 2 . . . . 38 PRO HD2 . 11130 1
384 . 1 1 38 38 PRO HD3 H 1 4.157 0.030 . 2 . . . . 38 PRO HD3 . 11130 1
385 . 1 1 38 38 PRO HG2 H 1 2.099 0.030 . 2 . . . . 38 PRO HG2 . 11130 1
386 . 1 1 38 38 PRO HG3 H 1 2.171 0.030 . 2 . . . . 38 PRO HG3 . 11130 1
387 . 1 1 38 38 PRO C C 13 174.945 0.300 . 1 . . . . 38 PRO C . 11130 1
388 . 1 1 38 38 PRO CA C 13 61.768 0.300 . 1 . . . . 38 PRO CA . 11130 1
389 . 1 1 38 38 PRO CB C 13 30.209 0.300 . 1 . . . . 38 PRO CB . 11130 1
390 . 1 1 38 38 PRO CD C 13 49.079 0.300 . 1 . . . . 38 PRO CD . 11130 1
391 . 1 1 38 38 PRO CG C 13 25.076 0.300 . 1 . . . . 38 PRO CG . 11130 1
392 . 1 1 39 39 THR H H 1 9.228 0.030 . 1 . . . . 39 THR H . 11130 1
393 . 1 1 39 39 THR HA H 1 4.099 0.030 . 1 . . . . 39 THR HA . 11130 1
394 . 1 1 39 39 THR HB H 1 4.407 0.030 . 1 . . . . 39 THR HB . 11130 1
395 . 1 1 39 39 THR HG21 H 1 1.010 0.030 . 1 . . . . 39 THR HG2 . 11130 1
396 . 1 1 39 39 THR HG22 H 1 1.010 0.030 . 1 . . . . 39 THR HG2 . 11130 1
397 . 1 1 39 39 THR HG23 H 1 1.010 0.030 . 1 . . . . 39 THR HG2 . 11130 1
398 . 1 1 39 39 THR C C 13 172.674 0.300 . 1 . . . . 39 THR C . 11130 1
399 . 1 1 39 39 THR CA C 13 62.881 0.300 . 1 . . . . 39 THR CA . 11130 1
400 . 1 1 39 39 THR CB C 13 66.029 0.300 . 1 . . . . 39 THR CB . 11130 1
401 . 1 1 39 39 THR CG2 C 13 21.101 0.300 . 1 . . . . 39 THR CG2 . 11130 1
402 . 1 1 39 39 THR N N 15 119.638 0.300 . 1 . . . . 39 THR N . 11130 1
403 . 1 1 40 40 CYS H H 1 8.354 0.030 . 1 . . . . 40 CYS H . 11130 1
404 . 1 1 40 40 CYS HA H 1 4.733 0.030 . 1 . . . . 40 CYS HA . 11130 1
405 . 1 1 40 40 CYS HB2 H 1 2.968 0.030 . 2 . . . . 40 CYS HB2 . 11130 1
406 . 1 1 40 40 CYS HB3 H 1 2.616 0.030 . 2 . . . . 40 CYS HB3 . 11130 1
407 . 1 1 40 40 CYS C C 13 173.243 0.300 . 1 . . . . 40 CYS C . 11130 1
408 . 1 1 40 40 CYS CA C 13 56.172 0.300 . 1 . . . . 40 CYS CA . 11130 1
409 . 1 1 40 40 CYS CB C 13 29.809 0.300 . 1 . . . . 40 CYS CB . 11130 1
410 . 1 1 40 40 CYS N N 15 118.934 0.300 . 1 . . . . 40 CYS N . 11130 1
411 . 1 1 41 41 GLN H H 1 7.968 0.030 . 1 . . . . 41 GLN H . 11130 1
412 . 1 1 41 41 GLN HA H 1 4.067 0.030 . 1 . . . . 41 GLN HA . 11130 1
413 . 1 1 41 41 GLN HB2 H 1 2.176 0.030 . 2 . . . . 41 GLN HB2 . 11130 1
414 . 1 1 41 41 GLN HB3 H 1 2.038 0.030 . 2 . . . . 41 GLN HB3 . 11130 1
415 . 1 1 41 41 GLN HE21 H 1 6.694 0.030 . 2 . . . . 41 GLN HE21 . 11130 1
416 . 1 1 41 41 GLN HE22 H 1 7.257 0.030 . 2 . . . . 41 GLN HE22 . 11130 1
417 . 1 1 41 41 GLN HG2 H 1 2.186 0.030 . 2 . . . . 41 GLN HG2 . 11130 1
418 . 1 1 41 41 GLN HG3 H 1 2.043 0.030 . 2 . . . . 41 GLN HG3 . 11130 1
419 . 1 1 41 41 GLN C C 13 173.438 0.300 . 1 . . . . 41 GLN C . 11130 1
420 . 1 1 41 41 GLN CA C 13 55.216 0.300 . 1 . . . . 41 GLN CA . 11130 1
421 . 1 1 41 41 GLN CB C 13 24.553 0.300 . 1 . . . . 41 GLN CB . 11130 1
422 . 1 1 41 41 GLN CG C 13 31.750 0.300 . 1 . . . . 41 GLN CG . 11130 1
423 . 1 1 41 41 GLN N N 15 118.417 0.300 . 1 . . . . 41 GLN N . 11130 1
424 . 1 1 41 41 GLN NE2 N 15 111.531 0.300 . 1 . . . . 41 GLN NE2 . 11130 1
425 . 1 1 42 42 ALA H H 1 8.292 0.030 . 1 . . . . 42 ALA H . 11130 1
426 . 1 1 42 42 ALA HA H 1 4.473 0.030 . 1 . . . . 42 ALA HA . 11130 1
427 . 1 1 42 42 ALA HB1 H 1 1.304 0.030 . 1 . . . . 42 ALA HB . 11130 1
428 . 1 1 42 42 ALA HB2 H 1 1.304 0.030 . 1 . . . . 42 ALA HB . 11130 1
429 . 1 1 42 42 ALA HB3 H 1 1.304 0.030 . 1 . . . . 42 ALA HB . 11130 1
430 . 1 1 42 42 ALA C C 13 174.421 0.300 . 1 . . . . 42 ALA C . 11130 1
431 . 1 1 42 42 ALA CA C 13 50.099 0.300 . 1 . . . . 42 ALA CA . 11130 1
432 . 1 1 42 42 ALA CB C 13 18.569 0.300 . 1 . . . . 42 ALA CB . 11130 1
433 . 1 1 42 42 ALA N N 15 120.822 0.300 . 1 . . . . 42 ALA N . 11130 1
434 . 1 1 43 43 VAL H H 1 6.886 0.030 . 1 . . . . 43 VAL H . 11130 1
435 . 1 1 43 43 VAL HA H 1 4.121 0.030 . 1 . . . . 43 VAL HA . 11130 1
436 . 1 1 43 43 VAL HB H 1 1.330 0.030 . 1 . . . . 43 VAL HB . 11130 1
437 . 1 1 43 43 VAL HG11 H 1 0.337 0.030 . 1 . . . . 43 VAL HG1 . 11130 1
438 . 1 1 43 43 VAL HG12 H 1 0.337 0.030 . 1 . . . . 43 VAL HG1 . 11130 1
439 . 1 1 43 43 VAL HG13 H 1 0.337 0.030 . 1 . . . . 43 VAL HG1 . 11130 1
440 . 1 1 43 43 VAL HG21 H 1 0.215 0.030 . 1 . . . . 43 VAL HG2 . 11130 1
441 . 1 1 43 43 VAL HG22 H 1 0.215 0.030 . 1 . . . . 43 VAL HG2 . 11130 1
442 . 1 1 43 43 VAL HG23 H 1 0.215 0.030 . 1 . . . . 43 VAL HG2 . 11130 1
443 . 1 1 43 43 VAL C C 13 171.108 0.300 . 1 . . . . 43 VAL C . 11130 1
444 . 1 1 43 43 VAL CA C 13 57.575 0.300 . 1 . . . . 43 VAL CA . 11130 1
445 . 1 1 43 43 VAL CB C 13 32.952 0.300 . 1 . . . . 43 VAL CB . 11130 1
446 . 1 1 43 43 VAL CG1 C 13 18.152 0.300 . 2 . . . . 43 VAL CG1 . 11130 1
447 . 1 1 43 43 VAL CG2 C 13 17.749 0.300 . 2 . . . . 43 VAL CG2 . 11130 1
448 . 1 1 43 43 VAL N N 15 114.628 0.300 . 1 . . . . 43 VAL N . 11130 1
449 . 1 1 44 44 GLY H H 1 8.131 0.030 . 1 . . . . 44 GLY H . 11130 1
450 . 1 1 44 44 GLY HA2 H 1 4.841 0.030 . 2 . . . . 44 GLY HA2 . 11130 1
451 . 1 1 44 44 GLY HA3 H 1 3.358 0.030 . 2 . . . . 44 GLY HA3 . 11130 1
452 . 1 1 44 44 GLY C C 13 172.014 0.300 . 1 . . . . 44 GLY C . 11130 1
453 . 1 1 44 44 GLY CA C 13 41.349 0.300 . 1 . . . . 44 GLY CA . 11130 1
454 . 1 1 44 44 GLY N N 15 110.475 0.300 . 1 . . . . 44 GLY N . 11130 1
455 . 1 1 45 45 ARG H H 1 8.531 0.030 . 1 . . . . 45 ARG H . 11130 1
456 . 1 1 45 45 ARG HA H 1 4.674 0.030 . 1 . . . . 45 ARG HA . 11130 1
457 . 1 1 45 45 ARG HB2 H 1 1.947 0.030 . 2 . . . . 45 ARG HB2 . 11130 1
458 . 1 1 45 45 ARG HB3 H 1 1.357 0.030 . 2 . . . . 45 ARG HB3 . 11130 1
459 . 1 1 45 45 ARG HD2 H 1 2.973 0.030 . 2 . . . . 45 ARG HD2 . 11130 1
460 . 1 1 45 45 ARG HD3 H 1 3.476 0.030 . 2 . . . . 45 ARG HD3 . 11130 1
461 . 1 1 45 45 ARG HG2 H 1 1.107 0.030 . 2 . . . . 45 ARG HG2 . 11130 1
462 . 1 1 45 45 ARG HG3 H 1 1.045 0.030 . 2 . . . . 45 ARG HG3 . 11130 1
463 . 1 1 45 45 ARG C C 13 172.739 0.300 . 1 . . . . 45 ARG C . 11130 1
464 . 1 1 45 45 ARG CA C 13 50.338 0.300 . 1 . . . . 45 ARG CA . 11130 1
465 . 1 1 45 45 ARG CB C 13 32.999 0.300 . 1 . . . . 45 ARG CB . 11130 1
466 . 1 1 45 45 ARG CD C 13 40.680 0.300 . 1 . . . . 45 ARG CD . 11130 1
467 . 1 1 45 45 ARG CG C 13 24.826 0.300 . 1 . . . . 45 ARG CG . 11130 1
468 . 1 1 45 45 ARG N N 15 119.206 0.300 . 1 . . . . 45 ARG N . 11130 1
469 . 1 1 46 46 LYS HA H 1 4.252 0.030 . 1 . . . . 46 LYS HA . 11130 1
470 . 1 1 46 46 LYS HB2 H 1 1.961 0.030 . 2 . . . . 46 LYS HB2 . 11130 1
471 . 1 1 46 46 LYS HB3 H 1 1.713 0.030 . 2 . . . . 46 LYS HB3 . 11130 1
472 . 1 1 46 46 LYS HD2 H 1 1.593 0.030 . 1 . . . . 46 LYS HD2 . 11130 1
473 . 1 1 46 46 LYS HD3 H 1 1.593 0.030 . 1 . . . . 46 LYS HD3 . 11130 1
474 . 1 1 46 46 LYS HE2 H 1 2.892 0.030 . 1 . . . . 46 LYS HE2 . 11130 1
475 . 1 1 46 46 LYS HE3 H 1 2.892 0.030 . 1 . . . . 46 LYS HE3 . 11130 1
476 . 1 1 46 46 LYS HG2 H 1 1.452 0.030 . 1 . . . . 46 LYS HG2 . 11130 1
477 . 1 1 46 46 LYS HG3 H 1 1.452 0.030 . 1 . . . . 46 LYS HG3 . 11130 1
478 . 1 1 46 46 LYS C C 13 172.596 0.300 . 1 . . . . 46 LYS C . 11130 1
479 . 1 1 46 46 LYS CA C 13 54.815 0.300 . 1 . . . . 46 LYS CA . 11130 1
480 . 1 1 46 46 LYS CB C 13 31.407 0.300 . 1 . . . . 46 LYS CB . 11130 1
481 . 1 1 46 46 LYS CD C 13 26.556 0.300 . 1 . . . . 46 LYS CD . 11130 1
482 . 1 1 46 46 LYS CE C 13 39.694 0.300 . 1 . . . . 46 LYS CE . 11130 1
483 . 1 1 46 46 LYS CG C 13 23.032 0.300 . 1 . . . . 46 LYS CG . 11130 1
484 . 1 1 47 47 THR H H 1 7.233 0.030 . 1 . . . . 47 THR H . 11130 1
485 . 1 1 47 47 THR HA H 1 4.733 0.030 . 1 . . . . 47 THR HA . 11130 1
486 . 1 1 47 47 THR HB H 1 4.554 0.030 . 1 . . . . 47 THR HB . 11130 1
487 . 1 1 47 47 THR HG21 H 1 1.149 0.030 . 1 . . . . 47 THR HG2 . 11130 1
488 . 1 1 47 47 THR HG22 H 1 1.149 0.030 . 1 . . . . 47 THR HG2 . 11130 1
489 . 1 1 47 47 THR HG23 H 1 1.149 0.030 . 1 . . . . 47 THR HG2 . 11130 1
490 . 1 1 47 47 THR C C 13 171.691 0.300 . 1 . . . . 47 THR C . 11130 1
491 . 1 1 47 47 THR CA C 13 56.102 0.300 . 1 . . . . 47 THR CA . 11130 1
492 . 1 1 47 47 THR CB C 13 70.747 0.300 . 1 . . . . 47 THR CB . 11130 1
493 . 1 1 47 47 THR CG2 C 13 19.435 0.300 . 1 . . . . 47 THR CG2 . 11130 1
494 . 1 1 47 47 THR N N 15 104.457 0.300 . 1 . . . . 47 THR N . 11130 1
495 . 1 1 48 48 ILE H H 1 9.028 0.030 . 1 . . . . 48 ILE H . 11130 1
496 . 1 1 48 48 ILE HA H 1 3.571 0.030 . 1 . . . . 48 ILE HA . 11130 1
497 . 1 1 48 48 ILE HB H 1 1.967 0.030 . 1 . . . . 48 ILE HB . 11130 1
498 . 1 1 48 48 ILE HD11 H 1 0.921 0.030 . 1 . . . . 48 ILE HD1 . 11130 1
499 . 1 1 48 48 ILE HD12 H 1 0.921 0.030 . 1 . . . . 48 ILE HD1 . 11130 1
500 . 1 1 48 48 ILE HD13 H 1 0.921 0.030 . 1 . . . . 48 ILE HD1 . 11130 1
501 . 1 1 48 48 ILE HG12 H 1 1.397 0.030 . 2 . . . . 48 ILE HG12 . 11130 1
502 . 1 1 48 48 ILE HG13 H 1 1.618 0.030 . 2 . . . . 48 ILE HG13 . 11130 1
503 . 1 1 48 48 ILE HG21 H 1 0.983 0.030 . 1 . . . . 48 ILE HG2 . 11130 1
504 . 1 1 48 48 ILE HG22 H 1 0.983 0.030 . 1 . . . . 48 ILE HG2 . 11130 1
505 . 1 1 48 48 ILE HG23 H 1 0.983 0.030 . 1 . . . . 48 ILE HG2 . 11130 1
506 . 1 1 48 48 ILE C C 13 175.626 0.300 . 1 . . . . 48 ILE C . 11130 1
507 . 1 1 48 48 ILE CA C 13 61.687 0.300 . 1 . . . . 48 ILE CA . 11130 1
508 . 1 1 48 48 ILE CB C 13 34.591 0.300 . 1 . . . . 48 ILE CB . 11130 1
509 . 1 1 48 48 ILE CD1 C 13 10.593 0.300 . 1 . . . . 48 ILE CD1 . 11130 1
510 . 1 1 48 48 ILE CG1 C 13 26.924 0.300 . 1 . . . . 48 ILE CG1 . 11130 1
511 . 1 1 48 48 ILE CG2 C 13 15.562 0.300 . 1 . . . . 48 ILE CG2 . 11130 1
512 . 1 1 48 48 ILE N N 15 123.317 0.300 . 1 . . . . 48 ILE N . 11130 1
513 . 1 1 49 49 GLU H H 1 9.038 0.030 . 1 . . . . 49 GLU H . 11130 1
514 . 1 1 49 49 GLU HA H 1 3.901 0.030 . 1 . . . . 49 GLU HA . 11130 1
515 . 1 1 49 49 GLU HB2 H 1 1.997 0.030 . 2 . . . . 49 GLU HB2 . 11130 1
516 . 1 1 49 49 GLU HB3 H 1 1.877 0.030 . 2 . . . . 49 GLU HB3 . 11130 1
517 . 1 1 49 49 GLU HG2 H 1 2.311 0.030 . 2 . . . . 49 GLU HG2 . 11130 1
518 . 1 1 49 49 GLU HG3 H 1 2.248 0.030 . 2 . . . . 49 GLU HG3 . 11130 1
519 . 1 1 49 49 GLU C C 13 177.188 0.300 . 1 . . . . 49 GLU C . 11130 1
520 . 1 1 49 49 GLU CA C 13 57.853 0.300 . 1 . . . . 49 GLU CA . 11130 1
521 . 1 1 49 49 GLU CB C 13 26.501 0.300 . 1 . . . . 49 GLU CB . 11130 1
522 . 1 1 49 49 GLU CG C 13 34.228 0.300 . 1 . . . . 49 GLU CG . 11130 1
523 . 1 1 49 49 GLU N N 15 119.598 0.300 . 1 . . . . 49 GLU N . 11130 1
524 . 1 1 50 50 GLY H H 1 8.289 0.030 . 1 . . . . 50 GLY H . 11130 1
525 . 1 1 50 50 GLY HA2 H 1 3.928 0.030 . 2 . . . . 50 GLY HA2 . 11130 1
526 . 1 1 50 50 GLY HA3 H 1 3.740 0.030 . 2 . . . . 50 GLY HA3 . 11130 1
527 . 1 1 50 50 GLY C C 13 175.132 0.300 . 1 . . . . 50 GLY C . 11130 1
528 . 1 1 50 50 GLY CA C 13 44.133 0.300 . 1 . . . . 50 GLY CA . 11130 1
529 . 1 1 50 50 GLY N N 15 107.723 0.300 . 1 . . . . 50 GLY N . 11130 1
530 . 1 1 51 51 LEU H H 1 8.068 0.030 . 1 . . . . 51 LEU H . 11130 1
531 . 1 1 51 51 LEU HA H 1 3.829 0.030 . 1 . . . . 51 LEU HA . 11130 1
532 . 1 1 51 51 LEU HB2 H 1 1.690 0.030 . 2 . . . . 51 LEU HB2 . 11130 1
533 . 1 1 51 51 LEU HB3 H 1 0.967 0.030 . 2 . . . . 51 LEU HB3 . 11130 1
534 . 1 1 51 51 LEU HD11 H 1 0.518 0.030 . 1 . . . . 51 LEU HD1 . 11130 1
535 . 1 1 51 51 LEU HD12 H 1 0.518 0.030 . 1 . . . . 51 LEU HD1 . 11130 1
536 . 1 1 51 51 LEU HD13 H 1 0.518 0.030 . 1 . . . . 51 LEU HD1 . 11130 1
537 . 1 1 51 51 LEU HD21 H 1 -0.412 0.030 . 1 . . . . 51 LEU HD2 . 11130 1
538 . 1 1 51 51 LEU HD22 H 1 -0.412 0.030 . 1 . . . . 51 LEU HD2 . 11130 1
539 . 1 1 51 51 LEU HD23 H 1 -0.412 0.030 . 1 . . . . 51 LEU HD2 . 11130 1
540 . 1 1 51 51 LEU HG H 1 0.981 0.030 . 1 . . . . 51 LEU HG . 11130 1
541 . 1 1 51 51 LEU C C 13 175.993 0.300 . 1 . . . . 51 LEU C . 11130 1
542 . 1 1 51 51 LEU CA C 13 56.305 0.300 . 1 . . . . 51 LEU CA . 11130 1
543 . 1 1 51 51 LEU CB C 13 38.571 0.300 . 1 . . . . 51 LEU CB . 11130 1
544 . 1 1 51 51 LEU CD1 C 13 19.228 0.300 . 2 . . . . 51 LEU CD1 . 11130 1
545 . 1 1 51 51 LEU CD2 C 13 22.017 0.300 . 2 . . . . 51 LEU CD2 . 11130 1
546 . 1 1 51 51 LEU CG C 13 24.210 0.300 . 1 . . . . 51 LEU CG . 11130 1
547 . 1 1 51 51 LEU N N 15 125.319 0.300 . 1 . . . . 51 LEU N . 11130 1
548 . 1 1 52 52 LYS H H 1 8.692 0.030 . 1 . . . . 52 LYS H . 11130 1
549 . 1 1 52 52 LYS HA H 1 3.764 0.030 . 1 . . . . 52 LYS HA . 11130 1
550 . 1 1 52 52 LYS HB2 H 1 1.834 0.030 . 1 . . . . 52 LYS HB2 . 11130 1
551 . 1 1 52 52 LYS HB3 H 1 1.834 0.030 . 1 . . . . 52 LYS HB3 . 11130 1
552 . 1 1 52 52 LYS HD2 H 1 1.701 0.030 . 1 . . . . 52 LYS HD2 . 11130 1
553 . 1 1 52 52 LYS HD3 H 1 1.701 0.030 . 1 . . . . 52 LYS HD3 . 11130 1
554 . 1 1 52 52 LYS HE2 H 1 2.869 0.030 . 2 . . . . 52 LYS HE2 . 11130 1
555 . 1 1 52 52 LYS HE3 H 1 2.980 0.030 . 2 . . . . 52 LYS HE3 . 11130 1
556 . 1 1 52 52 LYS HG2 H 1 1.464 0.030 . 2 . . . . 52 LYS HG2 . 11130 1
557 . 1 1 52 52 LYS HG3 H 1 1.737 0.030 . 2 . . . . 52 LYS HG3 . 11130 1
558 . 1 1 52 52 LYS C C 13 177.064 0.300 . 1 . . . . 52 LYS C . 11130 1
559 . 1 1 52 52 LYS CA C 13 58.534 0.300 . 1 . . . . 52 LYS CA . 11130 1
560 . 1 1 52 52 LYS CB C 13 29.579 0.300 . 1 . . . . 52 LYS CB . 11130 1
561 . 1 1 52 52 LYS CD C 13 27.500 0.300 . 1 . . . . 52 LYS CD . 11130 1
562 . 1 1 52 52 LYS CE C 13 39.777 0.300 . 1 . . . . 52 LYS CE . 11130 1
563 . 1 1 52 52 LYS CG C 13 24.259 0.300 . 1 . . . . 52 LYS CG . 11130 1
564 . 1 1 52 52 LYS N N 15 118.892 0.300 . 1 . . . . 52 LYS N . 11130 1
565 . 1 1 53 53 LYS H H 1 7.785 0.030 . 1 . . . . 53 LYS H . 11130 1
566 . 1 1 53 53 LYS HA H 1 4.013 0.030 . 1 . . . . 53 LYS HA . 11130 1
567 . 1 1 53 53 LYS HB2 H 1 1.820 0.030 . 1 . . . . 53 LYS HB2 . 11130 1
568 . 1 1 53 53 LYS HB3 H 1 1.820 0.030 . 1 . . . . 53 LYS HB3 . 11130 1
569 . 1 1 53 53 LYS HD2 H 1 1.599 0.030 . 1 . . . . 53 LYS HD2 . 11130 1
570 . 1 1 53 53 LYS HD3 H 1 1.599 0.030 . 1 . . . . 53 LYS HD3 . 11130 1
571 . 1 1 53 53 LYS HE2 H 1 2.863 0.030 . 1 . . . . 53 LYS HE2 . 11130 1
572 . 1 1 53 53 LYS HE3 H 1 2.863 0.030 . 1 . . . . 53 LYS HE3 . 11130 1
573 . 1 1 53 53 LYS HG2 H 1 1.428 0.030 . 1 . . . . 53 LYS HG2 . 11130 1
574 . 1 1 53 53 LYS HG3 H 1 1.428 0.030 . 1 . . . . 53 LYS HG3 . 11130 1
575 . 1 1 53 53 LYS C C 13 176.899 0.300 . 1 . . . . 53 LYS C . 11130 1
576 . 1 1 53 53 LYS CA C 13 56.356 0.300 . 1 . . . . 53 LYS CA . 11130 1
577 . 1 1 53 53 LYS CB C 13 29.581 0.300 . 1 . . . . 53 LYS CB . 11130 1
578 . 1 1 53 53 LYS CD C 13 26.182 0.300 . 1 . . . . 53 LYS CD . 11130 1
579 . 1 1 53 53 LYS CE C 13 39.815 0.300 . 1 . . . . 53 LYS CE . 11130 1
580 . 1 1 53 53 LYS CG C 13 22.310 0.300 . 1 . . . . 53 LYS CG . 11130 1
581 . 1 1 53 53 LYS N N 15 118.065 0.300 . 1 . . . . 53 LYS N . 11130 1
582 . 1 1 54 54 HIS H H 1 7.569 0.030 . 1 . . . . 54 HIS H . 11130 1
583 . 1 1 54 54 HIS HA H 1 4.278 0.030 . 1 . . . . 54 HIS HA . 11130 1
584 . 1 1 54 54 HIS HB2 H 1 3.269 0.030 . 2 . . . . 54 HIS HB2 . 11130 1
585 . 1 1 54 54 HIS HB3 H 1 3.041 0.030 . 2 . . . . 54 HIS HB3 . 11130 1
586 . 1 1 54 54 HIS HD2 H 1 7.056 0.030 . 1 . . . . 54 HIS HD2 . 11130 1
587 . 1 1 54 54 HIS HE1 H 1 7.840 0.030 . 1 . . . . 54 HIS HE1 . 11130 1
588 . 1 1 54 54 HIS C C 13 175.161 0.300 . 1 . . . . 54 HIS C . 11130 1
589 . 1 1 54 54 HIS CA C 13 57.142 0.300 . 1 . . . . 54 HIS CA . 11130 1
590 . 1 1 54 54 HIS CB C 13 25.090 0.300 . 1 . . . . 54 HIS CB . 11130 1
591 . 1 1 54 54 HIS CE1 C 13 137.905 0.300 . 1 . . . . 54 HIS CE1 . 11130 1
592 . 1 1 54 54 HIS N N 15 117.543 0.300 . 1 . . . . 54 HIS N . 11130 1
593 . 1 1 55 55 MET H H 1 8.728 0.030 . 1 . . . . 55 MET H . 11130 1
594 . 1 1 55 55 MET HA H 1 3.518 0.030 . 1 . . . . 55 MET HA . 11130 1
595 . 1 1 55 55 MET HB2 H 1 2.806 0.030 . 2 . . . . 55 MET HB2 . 11130 1
596 . 1 1 55 55 MET HB3 H 1 2.714 0.030 . 2 . . . . 55 MET HB3 . 11130 1
597 . 1 1 55 55 MET HE1 H 1 2.075 0.030 . 1 . . . . 55 MET HE . 11130 1
598 . 1 1 55 55 MET HE2 H 1 2.075 0.030 . 1 . . . . 55 MET HE . 11130 1
599 . 1 1 55 55 MET HE3 H 1 2.075 0.030 . 1 . . . . 55 MET HE . 11130 1
600 . 1 1 55 55 MET HG2 H 1 2.237 0.030 . 2 . . . . 55 MET HG2 . 11130 1
601 . 1 1 55 55 MET HG3 H 1 1.876 0.030 . 2 . . . . 55 MET HG3 . 11130 1
602 . 1 1 55 55 MET C C 13 175.332 0.300 . 1 . . . . 55 MET C . 11130 1
603 . 1 1 55 55 MET CA C 13 57.516 0.300 . 1 . . . . 55 MET CA . 11130 1
604 . 1 1 55 55 MET CB C 13 31.290 0.300 . 1 . . . . 55 MET CB . 11130 1
605 . 1 1 55 55 MET CE C 13 14.314 0.300 . 1 . . . . 55 MET CE . 11130 1
606 . 1 1 55 55 MET CG C 13 31.281 0.300 . 1 . . . . 55 MET CG . 11130 1
607 . 1 1 55 55 MET N N 15 117.201 0.300 . 1 . . . . 55 MET N . 11130 1
608 . 1 1 56 56 GLU H H 1 7.322 0.030 . 1 . . . . 56 GLU H . 11130 1
609 . 1 1 56 56 GLU HA H 1 3.888 0.030 . 1 . . . . 56 GLU HA . 11130 1
610 . 1 1 56 56 GLU HB2 H 1 1.989 0.030 . 2 . . . . 56 GLU HB2 . 11130 1
611 . 1 1 56 56 GLU HB3 H 1 1.896 0.030 . 2 . . . . 56 GLU HB3 . 11130 1
612 . 1 1 56 56 GLU HG2 H 1 2.176 0.030 . 2 . . . . 56 GLU HG2 . 11130 1
613 . 1 1 56 56 GLU HG3 H 1 2.464 0.030 . 2 . . . . 56 GLU HG3 . 11130 1
614 . 1 1 56 56 GLU C C 13 174.510 0.300 . 1 . . . . 56 GLU C . 11130 1
615 . 1 1 56 56 GLU CA C 13 56.704 0.300 . 1 . . . . 56 GLU CA . 11130 1
616 . 1 1 56 56 GLU CB C 13 27.502 0.300 . 1 . . . . 56 GLU CB . 11130 1
617 . 1 1 56 56 GLU CG C 13 33.940 0.300 . 1 . . . . 56 GLU CG . 11130 1
618 . 1 1 56 56 GLU N N 15 117.193 0.300 . 1 . . . . 56 GLU N . 11130 1
619 . 1 1 57 57 ASN H H 1 6.914 0.030 . 1 . . . . 57 ASN H . 11130 1
620 . 1 1 57 57 ASN HA H 1 4.817 0.030 . 1 . . . . 57 ASN HA . 11130 1
621 . 1 1 57 57 ASN HB2 H 1 2.814 0.030 . 2 . . . . 57 ASN HB2 . 11130 1
622 . 1 1 57 57 ASN HB3 H 1 2.458 0.030 . 2 . . . . 57 ASN HB3 . 11130 1
623 . 1 1 57 57 ASN HD21 H 1 6.890 0.030 . 2 . . . . 57 ASN HD21 . 11130 1
624 . 1 1 57 57 ASN HD22 H 1 7.483 0.030 . 2 . . . . 57 ASN HD22 . 11130 1
625 . 1 1 57 57 ASN C C 13 171.069 0.300 . 1 . . . . 57 ASN C . 11130 1
626 . 1 1 57 57 ASN CA C 13 50.038 0.300 . 1 . . . . 57 ASN CA . 11130 1
627 . 1 1 57 57 ASN CB C 13 38.058 0.300 . 1 . . . . 57 ASN CB . 11130 1
628 . 1 1 57 57 ASN N N 15 112.544 0.300 . 1 . . . . 57 ASN N . 11130 1
629 . 1 1 57 57 ASN ND2 N 15 113.869 0.300 . 1 . . . . 57 ASN ND2 . 11130 1
630 . 1 1 58 58 CYS H H 1 7.074 0.030 . 1 . . . . 58 CYS H . 11130 1
631 . 1 1 58 58 CYS HA H 1 3.979 0.030 . 1 . . . . 58 CYS HA . 11130 1
632 . 1 1 58 58 CYS HB2 H 1 2.464 0.030 . 2 . . . . 58 CYS HB2 . 11130 1
633 . 1 1 58 58 CYS HB3 H 1 1.719 0.030 . 2 . . . . 58 CYS HB3 . 11130 1
634 . 1 1 58 58 CYS C C 13 172.208 0.300 . 1 . . . . 58 CYS C . 11130 1
635 . 1 1 58 58 CYS CA C 13 58.356 0.300 . 1 . . . . 58 CYS CA . 11130 1
636 . 1 1 58 58 CYS CB C 13 26.055 0.300 . 1 . . . . 58 CYS CB . 11130 1
637 . 1 1 58 58 CYS N N 15 124.513 0.300 . 1 . . . . 58 CYS N . 11130 1
638 . 1 1 59 59 LYS H H 1 8.128 0.030 . 1 . . . . 59 LYS H . 11130 1
639 . 1 1 59 59 LYS HA H 1 4.302 0.030 . 1 . . . . 59 LYS HA . 11130 1
640 . 1 1 59 59 LYS HB2 H 1 1.604 0.030 . 2 . . . . 59 LYS HB2 . 11130 1
641 . 1 1 59 59 LYS HB3 H 1 1.715 0.030 . 2 . . . . 59 LYS HB3 . 11130 1
642 . 1 1 59 59 LYS HD2 H 1 1.540 0.030 . 1 . . . . 59 LYS HD2 . 11130 1
643 . 1 1 59 59 LYS HD3 H 1 1.540 0.030 . 1 . . . . 59 LYS HD3 . 11130 1
644 . 1 1 59 59 LYS HE2 H 1 2.856 0.030 . 1 . . . . 59 LYS HE2 . 11130 1
645 . 1 1 59 59 LYS HE3 H 1 2.856 0.030 . 1 . . . . 59 LYS HE3 . 11130 1
646 . 1 1 59 59 LYS HG2 H 1 1.272 0.030 . 1 . . . . 59 LYS HG2 . 11130 1
647 . 1 1 59 59 LYS HG3 H 1 1.272 0.030 . 1 . . . . 59 LYS HG3 . 11130 1
648 . 1 1 59 59 LYS C C 13 173.652 0.300 . 1 . . . . 59 LYS C . 11130 1
649 . 1 1 59 59 LYS CA C 13 53.317 0.300 . 1 . . . . 59 LYS CA . 11130 1
650 . 1 1 59 59 LYS CB C 13 31.331 0.300 . 1 . . . . 59 LYS CB . 11130 1
651 . 1 1 59 59 LYS CD C 13 26.680 0.300 . 1 . . . . 59 LYS CD . 11130 1
652 . 1 1 59 59 LYS CE C 13 39.859 0.300 . 1 . . . . 59 LYS CE . 11130 1
653 . 1 1 59 59 LYS CG C 13 22.313 0.300 . 1 . . . . 59 LYS CG . 11130 1
654 . 1 1 59 59 LYS N N 15 125.059 0.300 . 1 . . . . 59 LYS N . 11130 1
655 . 1 1 60 60 GLN H H 1 8.192 0.030 . 1 . . . . 60 GLN H . 11130 1
656 . 1 1 60 60 GLN HA H 1 4.148 0.030 . 1 . . . . 60 GLN HA . 11130 1
657 . 1 1 60 60 GLN HB2 H 1 1.829 0.030 . 2 . . . . 60 GLN HB2 . 11130 1
658 . 1 1 60 60 GLN HB3 H 1 1.932 0.030 . 2 . . . . 60 GLN HB3 . 11130 1
659 . 1 1 60 60 GLN HE21 H 1 7.477 0.030 . 2 . . . . 60 GLN HE21 . 11130 1
660 . 1 1 60 60 GLN HE22 H 1 6.777 0.030 . 2 . . . . 60 GLN HE22 . 11130 1
661 . 1 1 60 60 GLN HG2 H 1 2.191 0.030 . 1 . . . . 60 GLN HG2 . 11130 1
662 . 1 1 60 60 GLN HG3 H 1 2.191 0.030 . 1 . . . . 60 GLN HG3 . 11130 1
663 . 1 1 60 60 GLN C C 13 173.091 0.300 . 1 . . . . 60 GLN C . 11130 1
664 . 1 1 60 60 GLN CA C 13 53.580 0.300 . 1 . . . . 60 GLN CA . 11130 1
665 . 1 1 60 60 GLN CB C 13 27.309 0.300 . 1 . . . . 60 GLN CB . 11130 1
666 . 1 1 60 60 GLN CG C 13 31.558 0.300 . 1 . . . . 60 GLN CG . 11130 1
667 . 1 1 60 60 GLN N N 15 121.221 0.300 . 1 . . . . 60 GLN N . 11130 1
668 . 1 1 60 60 GLN NE2 N 15 112.465 0.300 . 1 . . . . 60 GLN NE2 . 11130 1
669 . 1 1 61 61 GLU H H 1 8.339 0.030 . 1 . . . . 61 GLU H . 11130 1
670 . 1 1 61 61 GLU HA H 1 4.084 0.030 . 1 . . . . 61 GLU HA . 11130 1
671 . 1 1 61 61 GLU HB2 H 1 1.779 0.030 . 2 . . . . 61 GLU HB2 . 11130 1
672 . 1 1 61 61 GLU HB3 H 1 1.744 0.030 . 2 . . . . 61 GLU HB3 . 11130 1
673 . 1 1 61 61 GLU HG2 H 1 1.932 0.030 . 2 . . . . 61 GLU HG2 . 11130 1
674 . 1 1 61 61 GLU HG3 H 1 2.046 0.030 . 2 . . . . 61 GLU HG3 . 11130 1
675 . 1 1 61 61 GLU C C 13 172.717 0.300 . 1 . . . . 61 GLU C . 11130 1
676 . 1 1 61 61 GLU CA C 13 54.094 0.300 . 1 . . . . 61 GLU CA . 11130 1
677 . 1 1 61 61 GLU CB C 13 28.407 0.300 . 1 . . . . 61 GLU CB . 11130 1
678 . 1 1 61 61 GLU CG C 13 33.927 0.300 . 1 . . . . 61 GLU CG . 11130 1
679 . 1 1 61 61 GLU N N 15 123.593 0.300 . 1 . . . . 61 GLU N . 11130 1
680 . 1 1 62 62 MET H H 1 7.773 0.030 . 1 . . . . 62 MET H . 11130 1
681 . 1 1 62 62 MET HA H 1 4.539 0.030 . 1 . . . . 62 MET HA . 11130 1
682 . 1 1 62 62 MET HB2 H 1 1.664 0.030 . 1 . . . . 62 MET HB2 . 11130 1
683 . 1 1 62 62 MET HB3 H 1 1.664 0.030 . 1 . . . . 62 MET HB3 . 11130 1
684 . 1 1 62 62 MET HE1 H 1 1.813 0.030 . 1 . . . . 62 MET HE . 11130 1
685 . 1 1 62 62 MET HE2 H 1 1.813 0.030 . 1 . . . . 62 MET HE . 11130 1
686 . 1 1 62 62 MET HE3 H 1 1.813 0.030 . 1 . . . . 62 MET HE . 11130 1
687 . 1 1 62 62 MET HG2 H 1 2.312 0.030 . 2 . . . . 62 MET HG2 . 11130 1
688 . 1 1 62 62 MET HG3 H 1 2.256 0.030 . 2 . . . . 62 MET HG3 . 11130 1
689 . 1 1 62 62 MET C C 13 172.812 0.300 . 1 . . . . 62 MET C . 11130 1
690 . 1 1 62 62 MET CA C 13 51.942 0.300 . 1 . . . . 62 MET CA . 11130 1
691 . 1 1 62 62 MET CB C 13 31.871 0.300 . 1 . . . . 62 MET CB . 11130 1
692 . 1 1 62 62 MET CE C 13 14.772 0.300 . 1 . . . . 62 MET CE . 11130 1
693 . 1 1 62 62 MET CG C 13 29.958 0.300 . 1 . . . . 62 MET CG . 11130 1
694 . 1 1 62 62 MET N N 15 118.825 0.300 . 1 . . . . 62 MET N . 11130 1
695 . 1 1 63 63 PHE H H 1 8.582 0.030 . 1 . . . . 63 PHE H . 11130 1
696 . 1 1 63 63 PHE HA H 1 4.515 0.030 . 1 . . . . 63 PHE HA . 11130 1
697 . 1 1 63 63 PHE HB2 H 1 2.953 0.030 . 2 . . . . 63 PHE HB2 . 11130 1
698 . 1 1 63 63 PHE HB3 H 1 2.504 0.030 . 2 . . . . 63 PHE HB3 . 11130 1
699 . 1 1 63 63 PHE HD1 H 1 6.948 0.030 . 1 . . . . 63 PHE HD1 . 11130 1
700 . 1 1 63 63 PHE HD2 H 1 6.948 0.030 . 1 . . . . 63 PHE HD2 . 11130 1
701 . 1 1 63 63 PHE HE1 H 1 7.160 0.030 . 1 . . . . 63 PHE HE1 . 11130 1
702 . 1 1 63 63 PHE HE2 H 1 7.160 0.030 . 1 . . . . 63 PHE HE2 . 11130 1
703 . 1 1 63 63 PHE HZ H 1 7.177 0.030 . 1 . . . . 63 PHE HZ . 11130 1
704 . 1 1 63 63 PHE C C 13 172.346 0.300 . 1 . . . . 63 PHE C . 11130 1
705 . 1 1 63 63 PHE CA C 13 54.780 0.300 . 1 . . . . 63 PHE CA . 11130 1
706 . 1 1 63 63 PHE CB C 13 38.572 0.300 . 1 . . . . 63 PHE CB . 11130 1
707 . 1 1 63 63 PHE CD1 C 13 129.182 0.300 . 1 . . . . 63 PHE CD1 . 11130 1
708 . 1 1 63 63 PHE CD2 C 13 129.182 0.300 . 1 . . . . 63 PHE CD2 . 11130 1
709 . 1 1 63 63 PHE CE1 C 13 129.070 0.300 . 1 . . . . 63 PHE CE1 . 11130 1
710 . 1 1 63 63 PHE CE2 C 13 129.070 0.300 . 1 . . . . 63 PHE CE2 . 11130 1
711 . 1 1 63 63 PHE CZ C 13 127.517 0.300 . 1 . . . . 63 PHE CZ . 11130 1
712 . 1 1 63 63 PHE N N 15 121.782 0.300 . 1 . . . . 63 PHE N . 11130 1
713 . 1 1 64 64 THR H H 1 8.519 0.030 . 1 . . . . 64 THR H . 11130 1
714 . 1 1 64 64 THR HA H 1 4.539 0.030 . 1 . . . . 64 THR HA . 11130 1
715 . 1 1 64 64 THR HB H 1 3.714 0.030 . 1 . . . . 64 THR HB . 11130 1
716 . 1 1 64 64 THR HG21 H 1 0.867 0.030 . 1 . . . . 64 THR HG2 . 11130 1
717 . 1 1 64 64 THR HG22 H 1 0.867 0.030 . 1 . . . . 64 THR HG2 . 11130 1
718 . 1 1 64 64 THR HG23 H 1 0.867 0.030 . 1 . . . . 64 THR HG2 . 11130 1
719 . 1 1 64 64 THR C C 13 171.652 0.300 . 1 . . . . 64 THR C . 11130 1
720 . 1 1 64 64 THR CA C 13 59.715 0.300 . 1 . . . . 64 THR CA . 11130 1
721 . 1 1 64 64 THR CB C 13 67.952 0.300 . 1 . . . . 64 THR CB . 11130 1
722 . 1 1 64 64 THR CG2 C 13 19.061 0.300 . 1 . . . . 64 THR CG2 . 11130 1
723 . 1 1 64 64 THR N N 15 118.852 0.300 . 1 . . . . 64 THR N . 11130 1
724 . 1 1 65 65 CYS H H 1 9.088 0.030 . 1 . . . . 65 CYS H . 11130 1
725 . 1 1 65 65 CYS HA H 1 4.261 0.030 . 1 . . . . 65 CYS HA . 11130 1
726 . 1 1 65 65 CYS HB2 H 1 2.580 0.030 . 2 . . . . 65 CYS HB2 . 11130 1
727 . 1 1 65 65 CYS HB3 H 1 3.107 0.030 . 2 . . . . 65 CYS HB3 . 11130 1
728 . 1 1 65 65 CYS C C 13 174.900 0.300 . 1 . . . . 65 CYS C . 11130 1
729 . 1 1 65 65 CYS CA C 13 57.778 0.300 . 1 . . . . 65 CYS CA . 11130 1
730 . 1 1 65 65 CYS CB C 13 27.363 0.300 . 1 . . . . 65 CYS CB . 11130 1
731 . 1 1 65 65 CYS N N 15 129.446 0.300 . 1 . . . . 65 CYS N . 11130 1
732 . 1 1 66 66 HIS HA H 1 4.273 0.030 . 1 . . . . 66 HIS HA . 11130 1
733 . 1 1 66 66 HIS HB2 H 1 2.820 0.030 . 2 . . . . 66 HIS HB2 . 11130 1
734 . 1 1 66 66 HIS HB3 H 1 2.892 0.030 . 2 . . . . 66 HIS HB3 . 11130 1
735 . 1 1 66 66 HIS HD2 H 1 6.582 0.030 . 1 . . . . 66 HIS HD2 . 11130 1
736 . 1 1 66 66 HIS HE1 H 1 7.618 0.030 . 1 . . . . 66 HIS HE1 . 11130 1
737 . 1 1 66 66 HIS C C 13 172.847 0.300 . 1 . . . . 66 HIS C . 11130 1
738 . 1 1 66 66 HIS CA C 13 55.838 0.300 . 1 . . . . 66 HIS CA . 11130 1
739 . 1 1 66 66 HIS CB C 13 27.553 0.300 . 1 . . . . 66 HIS CB . 11130 1
740 . 1 1 66 66 HIS CD2 C 13 116.734 0.300 . 1 . . . . 66 HIS CD2 . 11130 1
741 . 1 1 66 66 HIS CE1 C 13 136.744 0.300 . 1 . . . . 66 HIS CE1 . 11130 1
742 . 1 1 67 67 HIS H H 1 8.607 0.030 . 1 . . . . 67 HIS H . 11130 1
743 . 1 1 67 67 HIS HA H 1 4.192 0.030 . 1 . . . . 67 HIS HA . 11130 1
744 . 1 1 67 67 HIS HB2 H 1 2.156 0.030 . 2 . . . . 67 HIS HB2 . 11130 1
745 . 1 1 67 67 HIS HB3 H 1 1.620 0.030 . 2 . . . . 67 HIS HB3 . 11130 1
746 . 1 1 67 67 HIS HD2 H 1 6.427 0.030 . 1 . . . . 67 HIS HD2 . 11130 1
747 . 1 1 67 67 HIS HE1 H 1 7.666 0.030 . 1 . . . . 67 HIS HE1 . 11130 1
748 . 1 1 67 67 HIS C C 13 174.481 0.300 . 1 . . . . 67 HIS C . 11130 1
749 . 1 1 67 67 HIS CA C 13 55.732 0.300 . 1 . . . . 67 HIS CA . 11130 1
750 . 1 1 67 67 HIS CB C 13 27.457 0.300 . 1 . . . . 67 HIS CB . 11130 1
751 . 1 1 67 67 HIS CD2 C 13 117.239 0.300 . 1 . . . . 67 HIS CD2 . 11130 1
752 . 1 1 67 67 HIS CE1 C 13 136.099 0.300 . 1 . . . . 67 HIS CE1 . 11130 1
753 . 1 1 67 67 HIS N N 15 119.813 0.300 . 1 . . . . 67 HIS N . 11130 1
754 . 1 1 68 68 CYS H H 1 8.020 0.030 . 1 . . . . 68 CYS H . 11130 1
755 . 1 1 68 68 CYS HA H 1 5.109 0.030 . 1 . . . . 68 CYS HA . 11130 1
756 . 1 1 68 68 CYS HB2 H 1 3.392 0.030 . 2 . . . . 68 CYS HB2 . 11130 1
757 . 1 1 68 68 CYS HB3 H 1 2.784 0.030 . 2 . . . . 68 CYS HB3 . 11130 1
758 . 1 1 68 68 CYS C C 13 173.776 0.300 . 1 . . . . 68 CYS C . 11130 1
759 . 1 1 68 68 CYS CA C 13 56.162 0.300 . 1 . . . . 68 CYS CA . 11130 1
760 . 1 1 68 68 CYS CB C 13 30.755 0.300 . 1 . . . . 68 CYS CB . 11130 1
761 . 1 1 68 68 CYS N N 15 114.756 0.300 . 1 . . . . 68 CYS N . 11130 1
762 . 1 1 69 69 GLY H H 1 8.042 0.030 . 1 . . . . 69 GLY H . 11130 1
763 . 1 1 69 69 GLY HA2 H 1 4.144 0.030 . 2 . . . . 69 GLY HA2 . 11130 1
764 . 1 1 69 69 GLY HA3 H 1 3.588 0.030 . 2 . . . . 69 GLY HA3 . 11130 1
765 . 1 1 69 69 GLY C C 13 170.965 0.300 . 1 . . . . 69 GLY C . 11130 1
766 . 1 1 69 69 GLY CA C 13 43.640 0.300 . 1 . . . . 69 GLY CA . 11130 1
767 . 1 1 69 69 GLY N N 15 113.002 0.300 . 1 . . . . 69 GLY N . 11130 1
768 . 1 1 70 70 LYS H H 1 8.038 0.030 . 1 . . . . 70 LYS H . 11130 1
769 . 1 1 70 70 LYS HA H 1 3.957 0.030 . 1 . . . . 70 LYS HA . 11130 1
770 . 1 1 70 70 LYS HB2 H 1 1.648 0.030 . 2 . . . . 70 LYS HB2 . 11130 1
771 . 1 1 70 70 LYS HB3 H 1 1.010 0.030 . 2 . . . . 70 LYS HB3 . 11130 1
772 . 1 1 70 70 LYS HD2 H 1 1.451 0.030 . 2 . . . . 70 LYS HD2 . 11130 1
773 . 1 1 70 70 LYS HD3 H 1 1.223 0.030 . 2 . . . . 70 LYS HD3 . 11130 1
774 . 1 1 70 70 LYS HE2 H 1 2.833 0.030 . 2 . . . . 70 LYS HE2 . 11130 1
775 . 1 1 70 70 LYS HE3 H 1 2.926 0.030 . 2 . . . . 70 LYS HE3 . 11130 1
776 . 1 1 70 70 LYS HG2 H 1 1.284 0.030 . 2 . . . . 70 LYS HG2 . 11130 1
777 . 1 1 70 70 LYS HG3 H 1 1.007 0.030 . 2 . . . . 70 LYS HG3 . 11130 1
778 . 1 1 70 70 LYS C C 13 172.542 0.300 . 1 . . . . 70 LYS C . 11130 1
779 . 1 1 70 70 LYS CA C 13 55.322 0.300 . 1 . . . . 70 LYS CA . 11130 1
780 . 1 1 70 70 LYS CB C 13 31.373 0.300 . 1 . . . . 70 LYS CB . 11130 1
781 . 1 1 70 70 LYS CD C 13 26.814 0.300 . 1 . . . . 70 LYS CD . 11130 1
782 . 1 1 70 70 LYS CE C 13 39.777 0.300 . 1 . . . . 70 LYS CE . 11130 1
783 . 1 1 70 70 LYS CG C 13 23.012 0.300 . 1 . . . . 70 LYS CG . 11130 1
784 . 1 1 70 70 LYS N N 15 123.036 0.300 . 1 . . . . 70 LYS N . 11130 1
785 . 1 1 71 71 GLN H H 1 8.383 0.030 . 1 . . . . 71 GLN H . 11130 1
786 . 1 1 71 71 GLN HA H 1 4.987 0.030 . 1 . . . . 71 GLN HA . 11130 1
787 . 1 1 71 71 GLN HB2 H 1 1.855 0.030 . 2 . . . . 71 GLN HB2 . 11130 1
788 . 1 1 71 71 GLN HB3 H 1 1.769 0.030 . 2 . . . . 71 GLN HB3 . 11130 1
789 . 1 1 71 71 GLN HE21 H 1 6.708 0.030 . 2 . . . . 71 GLN HE21 . 11130 1
790 . 1 1 71 71 GLN HE22 H 1 7.267 0.030 . 2 . . . . 71 GLN HE22 . 11130 1
791 . 1 1 71 71 GLN HG2 H 1 2.308 0.030 . 2 . . . . 71 GLN HG2 . 11130 1
792 . 1 1 71 71 GLN HG3 H 1 2.191 0.030 . 2 . . . . 71 GLN HG3 . 11130 1
793 . 1 1 71 71 GLN C C 13 173.222 0.300 . 1 . . . . 71 GLN C . 11130 1
794 . 1 1 71 71 GLN CA C 13 52.596 0.300 . 1 . . . . 71 GLN CA . 11130 1
795 . 1 1 71 71 GLN CB C 13 28.034 0.300 . 1 . . . . 71 GLN CB . 11130 1
796 . 1 1 71 71 GLN CG C 13 31.831 0.300 . 1 . . . . 71 GLN CG . 11130 1
797 . 1 1 71 71 GLN N N 15 122.688 0.300 . 1 . . . . 71 GLN N . 11130 1
798 . 1 1 71 71 GLN NE2 N 15 111.770 0.300 . 1 . . . . 71 GLN NE2 . 11130 1
799 . 1 1 72 72 LEU H H 1 8.961 0.030 . 1 . . . . 72 LEU H . 11130 1
800 . 1 1 72 72 LEU HA H 1 4.745 0.030 . 1 . . . . 72 LEU HA . 11130 1
801 . 1 1 72 72 LEU HB2 H 1 1.587 0.030 . 2 . . . . 72 LEU HB2 . 11130 1
802 . 1 1 72 72 LEU HB3 H 1 1.826 0.030 . 2 . . . . 72 LEU HB3 . 11130 1
803 . 1 1 72 72 LEU HD11 H 1 0.667 0.030 . 1 . . . . 72 LEU HD1 . 11130 1
804 . 1 1 72 72 LEU HD12 H 1 0.667 0.030 . 1 . . . . 72 LEU HD1 . 11130 1
805 . 1 1 72 72 LEU HD13 H 1 0.667 0.030 . 1 . . . . 72 LEU HD1 . 11130 1
806 . 1 1 72 72 LEU HD21 H 1 0.621 0.030 . 1 . . . . 72 LEU HD2 . 11130 1
807 . 1 1 72 72 LEU HD22 H 1 0.621 0.030 . 1 . . . . 72 LEU HD2 . 11130 1
808 . 1 1 72 72 LEU HD23 H 1 0.621 0.030 . 1 . . . . 72 LEU HD2 . 11130 1
809 . 1 1 72 72 LEU HG H 1 1.457 0.030 . 1 . . . . 72 LEU HG . 11130 1
810 . 1 1 72 72 LEU C C 13 174.260 0.300 . 1 . . . . 72 LEU C . 11130 1
811 . 1 1 72 72 LEU CA C 13 50.532 0.300 . 1 . . . . 72 LEU CA . 11130 1
812 . 1 1 72 72 LEU CB C 13 41.965 0.300 . 1 . . . . 72 LEU CB . 11130 1
813 . 1 1 72 72 LEU CD1 C 13 22.011 0.300 . 2 . . . . 72 LEU CD1 . 11130 1
814 . 1 1 72 72 LEU CD2 C 13 21.970 0.300 . 2 . . . . 72 LEU CD2 . 11130 1
815 . 1 1 72 72 LEU CG C 13 25.964 0.300 . 1 . . . . 72 LEU CG . 11130 1
816 . 1 1 72 72 LEU N N 15 125.424 0.300 . 1 . . . . 72 LEU N . 11130 1
817 . 1 1 73 73 ARG H H 1 8.592 0.030 . 1 . . . . 73 ARG H . 11130 1
818 . 1 1 73 73 ARG HA H 1 4.603 0.030 . 1 . . . . 73 ARG HA . 11130 1
819 . 1 1 73 73 ARG HB2 H 1 1.997 0.030 . 2 . . . . 73 ARG HB2 . 11130 1
820 . 1 1 73 73 ARG HB3 H 1 1.723 0.030 . 2 . . . . 73 ARG HB3 . 11130 1
821 . 1 1 73 73 ARG HD2 H 1 3.143 0.030 . 1 . . . . 73 ARG HD2 . 11130 1
822 . 1 1 73 73 ARG HD3 H 1 3.143 0.030 . 1 . . . . 73 ARG HD3 . 11130 1
823 . 1 1 73 73 ARG HG2 H 1 1.576 0.030 . 2 . . . . 73 ARG HG2 . 11130 1
824 . 1 1 73 73 ARG HG3 H 1 1.645 0.030 . 2 . . . . 73 ARG HG3 . 11130 1
825 . 1 1 73 73 ARG C C 13 173.286 0.300 . 1 . . . . 73 ARG C . 11130 1
826 . 1 1 73 73 ARG CA C 13 54.516 0.300 . 1 . . . . 73 ARG CA . 11130 1
827 . 1 1 73 73 ARG CB C 13 28.736 0.300 . 1 . . . . 73 ARG CB . 11130 1
828 . 1 1 73 73 ARG CD C 13 40.916 0.300 . 1 . . . . 73 ARG CD . 11130 1
829 . 1 1 73 73 ARG CG C 13 25.523 0.300 . 1 . . . . 73 ARG CG . 11130 1
830 . 1 1 73 73 ARG N N 15 117.573 0.300 . 1 . . . . 73 ARG N . 11130 1
831 . 1 1 74 74 SER H H 1 7.491 0.030 . 1 . . . . 74 SER H . 11130 1
832 . 1 1 74 74 SER HA H 1 4.551 0.030 . 1 . . . . 74 SER HA . 11130 1
833 . 1 1 74 74 SER HB2 H 1 4.028 0.030 . 2 . . . . 74 SER HB2 . 11130 1
834 . 1 1 74 74 SER HB3 H 1 3.840 0.030 . 2 . . . . 74 SER HB3 . 11130 1
835 . 1 1 74 74 SER C C 13 170.927 0.300 . 1 . . . . 74 SER C . 11130 1
836 . 1 1 74 74 SER CA C 13 54.445 0.300 . 1 . . . . 74 SER CA . 11130 1
837 . 1 1 74 74 SER CB C 13 64.329 0.300 . 1 . . . . 74 SER CB . 11130 1
838 . 1 1 74 74 SER N N 15 110.442 0.300 . 1 . . . . 74 SER N . 11130 1
839 . 1 1 75 75 LEU H H 1 8.517 0.030 . 1 . . . . 75 LEU H . 11130 1
840 . 1 1 75 75 LEU HA H 1 3.339 0.030 . 1 . . . . 75 LEU HA . 11130 1
841 . 1 1 75 75 LEU HB2 H 1 1.391 0.030 . 2 . . . . 75 LEU HB2 . 11130 1
842 . 1 1 75 75 LEU HB3 H 1 1.190 0.030 . 2 . . . . 75 LEU HB3 . 11130 1
843 . 1 1 75 75 LEU HD11 H 1 0.703 0.030 . 1 . . . . 75 LEU HD1 . 11130 1
844 . 1 1 75 75 LEU HD12 H 1 0.703 0.030 . 1 . . . . 75 LEU HD1 . 11130 1
845 . 1 1 75 75 LEU HD13 H 1 0.703 0.030 . 1 . . . . 75 LEU HD1 . 11130 1
846 . 1 1 75 75 LEU HD21 H 1 0.654 0.030 . 1 . . . . 75 LEU HD2 . 11130 1
847 . 1 1 75 75 LEU HD22 H 1 0.654 0.030 . 1 . . . . 75 LEU HD2 . 11130 1
848 . 1 1 75 75 LEU HD23 H 1 0.654 0.030 . 1 . . . . 75 LEU HD2 . 11130 1
849 . 1 1 75 75 LEU HG H 1 1.184 0.030 . 1 . . . . 75 LEU HG . 11130 1
850 . 1 1 75 75 LEU C C 13 176.876 0.300 . 1 . . . . 75 LEU C . 11130 1
851 . 1 1 75 75 LEU CA C 13 55.226 0.300 . 1 . . . . 75 LEU CA . 11130 1
852 . 1 1 75 75 LEU CB C 13 38.792 0.300 . 1 . . . . 75 LEU CB . 11130 1
853 . 1 1 75 75 LEU CD1 C 13 21.210 0.300 . 2 . . . . 75 LEU CD1 . 11130 1
854 . 1 1 75 75 LEU CD2 C 13 22.275 0.300 . 2 . . . . 75 LEU CD2 . 11130 1
855 . 1 1 75 75 LEU CG C 13 24.468 0.300 . 1 . . . . 75 LEU CG . 11130 1
856 . 1 1 75 75 LEU N N 15 125.479 0.300 . 1 . . . . 75 LEU N . 11130 1
857 . 1 1 76 76 ALA H H 1 8.474 0.030 . 1 . . . . 76 ALA H . 11130 1
858 . 1 1 76 76 ALA HA H 1 3.890 0.030 . 1 . . . . 76 ALA HA . 11130 1
859 . 1 1 76 76 ALA HB1 H 1 1.263 0.030 . 1 . . . . 76 ALA HB . 11130 1
860 . 1 1 76 76 ALA HB2 H 1 1.263 0.030 . 1 . . . . 76 ALA HB . 11130 1
861 . 1 1 76 76 ALA HB3 H 1 1.263 0.030 . 1 . . . . 76 ALA HB . 11130 1
862 . 1 1 76 76 ALA C C 13 178.446 0.300 . 1 . . . . 76 ALA C . 11130 1
863 . 1 1 76 76 ALA CA C 13 52.806 0.300 . 1 . . . . 76 ALA CA . 11130 1
864 . 1 1 76 76 ALA CB C 13 15.615 0.300 . 1 . . . . 76 ALA CB . 11130 1
865 . 1 1 76 76 ALA N N 15 121.425 0.300 . 1 . . . . 76 ALA N . 11130 1
866 . 1 1 77 77 GLY H H 1 8.222 0.030 . 1 . . . . 77 GLY H . 11130 1
867 . 1 1 77 77 GLY HA2 H 1 3.815 0.030 . 1 . . . . 77 GLY HA2 . 11130 1
868 . 1 1 77 77 GLY HA3 H 1 3.815 0.030 . 1 . . . . 77 GLY HA3 . 11130 1
869 . 1 1 77 77 GLY C C 13 174.791 0.300 . 1 . . . . 77 GLY C . 11130 1
870 . 1 1 77 77 GLY CA C 13 44.328 0.300 . 1 . . . . 77 GLY CA . 11130 1
871 . 1 1 77 77 GLY N N 15 106.734 0.300 . 1 . . . . 77 GLY N . 11130 1
872 . 1 1 78 78 MET H H 1 8.175 0.030 . 1 . . . . 78 MET H . 11130 1
873 . 1 1 78 78 MET HA H 1 4.354 0.030 . 1 . . . . 78 MET HA . 11130 1
874 . 1 1 78 78 MET HB2 H 1 2.285 0.030 . 2 . . . . 78 MET HB2 . 11130 1
875 . 1 1 78 78 MET HB3 H 1 1.868 0.030 . 2 . . . . 78 MET HB3 . 11130 1
876 . 1 1 78 78 MET HE1 H 1 1.942 0.030 . 1 . . . . 78 MET HE . 11130 1
877 . 1 1 78 78 MET HE2 H 1 1.942 0.030 . 1 . . . . 78 MET HE . 11130 1
878 . 1 1 78 78 MET HE3 H 1 1.942 0.030 . 1 . . . . 78 MET HE . 11130 1
879 . 1 1 78 78 MET HG2 H 1 2.422 0.030 . 2 . . . . 78 MET HG2 . 11130 1
880 . 1 1 78 78 MET HG3 H 1 2.584 0.030 . 2 . . . . 78 MET HG3 . 11130 1
881 . 1 1 78 78 MET C C 13 174.719 0.300 . 1 . . . . 78 MET C . 11130 1
882 . 1 1 78 78 MET CA C 13 55.925 0.300 . 1 . . . . 78 MET CA . 11130 1
883 . 1 1 78 78 MET CB C 13 28.200 0.300 . 1 . . . . 78 MET CB . 11130 1
884 . 1 1 78 78 MET CE C 13 15.220 0.300 . 1 . . . . 78 MET CE . 11130 1
885 . 1 1 78 78 MET CG C 13 29.259 0.300 . 1 . . . . 78 MET CG . 11130 1
886 . 1 1 78 78 MET N N 15 124.095 0.300 . 1 . . . . 78 MET N . 11130 1
887 . 1 1 79 79 LYS H H 1 8.482 0.030 . 1 . . . . 79 LYS H . 11130 1
888 . 1 1 79 79 LYS HA H 1 3.893 0.030 . 1 . . . . 79 LYS HA . 11130 1
889 . 1 1 79 79 LYS HB2 H 1 1.789 0.030 . 1 . . . . 79 LYS HB2 . 11130 1
890 . 1 1 79 79 LYS HB3 H 1 1.789 0.030 . 1 . . . . 79 LYS HB3 . 11130 1
891 . 1 1 79 79 LYS HD2 H 1 1.535 0.030 . 1 . . . . 79 LYS HD2 . 11130 1
892 . 1 1 79 79 LYS HD3 H 1 1.535 0.030 . 1 . . . . 79 LYS HD3 . 11130 1
893 . 1 1 79 79 LYS HE2 H 1 2.793 0.030 . 1 . . . . 79 LYS HE2 . 11130 1
894 . 1 1 79 79 LYS HE3 H 1 2.793 0.030 . 1 . . . . 79 LYS HE3 . 11130 1
895 . 1 1 79 79 LYS HG2 H 1 1.251 0.030 . 2 . . . . 79 LYS HG2 . 11130 1
896 . 1 1 79 79 LYS HG3 H 1 1.454 0.030 . 2 . . . . 79 LYS HG3 . 11130 1
897 . 1 1 79 79 LYS C C 13 177.302 0.300 . 1 . . . . 79 LYS C . 11130 1
898 . 1 1 79 79 LYS CA C 13 57.758 0.300 . 1 . . . . 79 LYS CA . 11130 1
899 . 1 1 79 79 LYS CB C 13 29.643 0.300 . 1 . . . . 79 LYS CB . 11130 1
900 . 1 1 79 79 LYS CD C 13 27.094 0.300 . 1 . . . . 79 LYS CD . 11130 1
901 . 1 1 79 79 LYS CE C 13 39.777 0.300 . 1 . . . . 79 LYS CE . 11130 1
902 . 1 1 79 79 LYS CG C 13 23.051 0.300 . 1 . . . . 79 LYS CG . 11130 1
903 . 1 1 79 79 LYS N N 15 120.172 0.300 . 1 . . . . 79 LYS N . 11130 1
904 . 1 1 80 80 TYR H H 1 7.976 0.030 . 1 . . . . 80 TYR H . 11130 1
905 . 1 1 80 80 TYR HA H 1 4.119 0.030 . 1 . . . . 80 TYR HA . 11130 1
906 . 1 1 80 80 TYR HB2 H 1 3.020 0.030 . 1 . . . . 80 TYR HB2 . 11130 1
907 . 1 1 80 80 TYR HB3 H 1 3.020 0.030 . 1 . . . . 80 TYR HB3 . 11130 1
908 . 1 1 80 80 TYR HD1 H 1 7.064 0.030 . 1 . . . . 80 TYR HD1 . 11130 1
909 . 1 1 80 80 TYR HD2 H 1 7.064 0.030 . 1 . . . . 80 TYR HD2 . 11130 1
910 . 1 1 80 80 TYR HE1 H 1 6.676 0.030 . 1 . . . . 80 TYR HE1 . 11130 1
911 . 1 1 80 80 TYR HE2 H 1 6.676 0.030 . 1 . . . . 80 TYR HE2 . 11130 1
912 . 1 1 80 80 TYR C C 13 174.802 0.300 . 1 . . . . 80 TYR C . 11130 1
913 . 1 1 80 80 TYR CA C 13 59.150 0.300 . 1 . . . . 80 TYR CA . 11130 1
914 . 1 1 80 80 TYR CB C 13 35.562 0.300 . 1 . . . . 80 TYR CB . 11130 1
915 . 1 1 80 80 TYR CD1 C 13 130.865 0.300 . 1 . . . . 80 TYR CD1 . 11130 1
916 . 1 1 80 80 TYR CD2 C 13 130.865 0.300 . 1 . . . . 80 TYR CD2 . 11130 1
917 . 1 1 80 80 TYR CE1 C 13 115.641 0.300 . 1 . . . . 80 TYR CE1 . 11130 1
918 . 1 1 80 80 TYR CE2 C 13 115.641 0.300 . 1 . . . . 80 TYR CE2 . 11130 1
919 . 1 1 80 80 TYR N N 15 118.357 0.300 . 1 . . . . 80 TYR N . 11130 1
920 . 1 1 81 81 HIS H H 1 8.264 0.030 . 1 . . . . 81 HIS H . 11130 1
921 . 1 1 81 81 HIS HA H 1 4.053 0.030 . 1 . . . . 81 HIS HA . 11130 1
922 . 1 1 81 81 HIS HB2 H 1 3.689 0.030 . 2 . . . . 81 HIS HB2 . 11130 1
923 . 1 1 81 81 HIS HB3 H 1 3.203 0.030 . 2 . . . . 81 HIS HB3 . 11130 1
924 . 1 1 81 81 HIS HD2 H 1 7.267 0.030 . 1 . . . . 81 HIS HD2 . 11130 1
925 . 1 1 81 81 HIS HE1 H 1 7.823 0.030 . 1 . . . . 81 HIS HE1 . 11130 1
926 . 1 1 81 81 HIS C C 13 175.438 0.300 . 1 . . . . 81 HIS C . 11130 1
927 . 1 1 81 81 HIS CA C 13 57.750 0.300 . 1 . . . . 81 HIS CA . 11130 1
928 . 1 1 81 81 HIS CB C 13 26.006 0.300 . 1 . . . . 81 HIS CB . 11130 1
929 . 1 1 81 81 HIS CD2 C 13 125.874 0.300 . 1 . . . . 81 HIS CD2 . 11130 1
930 . 1 1 81 81 HIS CE1 C 13 137.175 0.300 . 1 . . . . 81 HIS CE1 . 11130 1
931 . 1 1 81 81 HIS N N 15 118.171 0.300 . 1 . . . . 81 HIS N . 11130 1
932 . 1 1 82 82 VAL H H 1 8.767 0.030 . 1 . . . . 82 VAL H . 11130 1
933 . 1 1 82 82 VAL HA H 1 3.400 0.030 . 1 . . . . 82 VAL HA . 11130 1
934 . 1 1 82 82 VAL HB H 1 2.163 0.030 . 1 . . . . 82 VAL HB . 11130 1
935 . 1 1 82 82 VAL HG11 H 1 1.012 0.030 . 1 . . . . 82 VAL HG1 . 11130 1
936 . 1 1 82 82 VAL HG12 H 1 1.012 0.030 . 1 . . . . 82 VAL HG1 . 11130 1
937 . 1 1 82 82 VAL HG13 H 1 1.012 0.030 . 1 . . . . 82 VAL HG1 . 11130 1
938 . 1 1 82 82 VAL HG21 H 1 1.423 0.030 . 1 . . . . 82 VAL HG2 . 11130 1
939 . 1 1 82 82 VAL HG22 H 1 1.423 0.030 . 1 . . . . 82 VAL HG2 . 11130 1
940 . 1 1 82 82 VAL HG23 H 1 1.423 0.030 . 1 . . . . 82 VAL HG2 . 11130 1
941 . 1 1 82 82 VAL C C 13 175.683 0.300 . 1 . . . . 82 VAL C . 11130 1
942 . 1 1 82 82 VAL CA C 13 64.890 0.300 . 1 . . . . 82 VAL CA . 11130 1
943 . 1 1 82 82 VAL CB C 13 29.643 0.300 . 1 . . . . 82 VAL CB . 11130 1
944 . 1 1 82 82 VAL CG1 C 13 19.745 0.300 . 2 . . . . 82 VAL CG1 . 11130 1
945 . 1 1 82 82 VAL CG2 C 13 21.670 0.300 . 2 . . . . 82 VAL CG2 . 11130 1
946 . 1 1 82 82 VAL N N 15 119.617 0.300 . 1 . . . . 82 VAL N . 11130 1
947 . 1 1 83 83 MET H H 1 7.673 0.030 . 1 . . . . 83 MET H . 11130 1
948 . 1 1 83 83 MET HA H 1 3.979 0.030 . 1 . . . . 83 MET HA . 11130 1
949 . 1 1 83 83 MET HB2 H 1 1.978 0.030 . 1 . . . . 83 MET HB2 . 11130 1
950 . 1 1 83 83 MET HB3 H 1 1.978 0.030 . 1 . . . . 83 MET HB3 . 11130 1
951 . 1 1 83 83 MET HE1 H 1 1.915 0.030 . 1 . . . . 83 MET HE . 11130 1
952 . 1 1 83 83 MET HE2 H 1 1.915 0.030 . 1 . . . . 83 MET HE . 11130 1
953 . 1 1 83 83 MET HE3 H 1 1.915 0.030 . 1 . . . . 83 MET HE . 11130 1
954 . 1 1 83 83 MET HG2 H 1 2.542 0.030 . 2 . . . . 83 MET HG2 . 11130 1
955 . 1 1 83 83 MET HG3 H 1 2.409 0.030 . 2 . . . . 83 MET HG3 . 11130 1
956 . 1 1 83 83 MET C C 13 175.222 0.300 . 1 . . . . 83 MET C . 11130 1
957 . 1 1 83 83 MET CA C 13 56.087 0.300 . 1 . . . . 83 MET CA . 11130 1
958 . 1 1 83 83 MET CB C 13 30.016 0.300 . 1 . . . . 83 MET CB . 11130 1
959 . 1 1 83 83 MET CE C 13 14.362 0.300 . 1 . . . . 83 MET CE . 11130 1
960 . 1 1 83 83 MET CG C 13 29.396 0.300 . 1 . . . . 83 MET CG . 11130 1
961 . 1 1 83 83 MET N N 15 118.816 0.300 . 1 . . . . 83 MET N . 11130 1
962 . 1 1 84 84 ALA H H 1 7.927 0.030 . 1 . . . . 84 ALA H . 11130 1
963 . 1 1 84 84 ALA HA H 1 3.945 0.030 . 1 . . . . 84 ALA HA . 11130 1
964 . 1 1 84 84 ALA HB1 H 1 0.958 0.030 . 1 . . . . 84 ALA HB . 11130 1
965 . 1 1 84 84 ALA HB2 H 1 0.958 0.030 . 1 . . . . 84 ALA HB . 11130 1
966 . 1 1 84 84 ALA HB3 H 1 0.958 0.030 . 1 . . . . 84 ALA HB . 11130 1
967 . 1 1 84 84 ALA C C 13 176.798 0.300 . 1 . . . . 84 ALA C . 11130 1
968 . 1 1 84 84 ALA CA C 13 51.414 0.300 . 1 . . . . 84 ALA CA . 11130 1
969 . 1 1 84 84 ALA CB C 13 16.649 0.300 . 1 . . . . 84 ALA CB . 11130 1
970 . 1 1 84 84 ALA N N 15 117.351 0.300 . 1 . . . . 84 ALA N . 11130 1
971 . 1 1 85 85 ASN H H 1 7.363 0.030 . 1 . . . . 85 ASN H . 11130 1
972 . 1 1 85 85 ASN HA H 1 4.457 0.030 . 1 . . . . 85 ASN HA . 11130 1
973 . 1 1 85 85 ASN HB2 H 1 1.561 0.030 . 2 . . . . 85 ASN HB2 . 11130 1
974 . 1 1 85 85 ASN HB3 H 1 1.175 0.030 . 2 . . . . 85 ASN HB3 . 11130 1
975 . 1 1 85 85 ASN HD21 H 1 7.106 0.030 . 2 . . . . 85 ASN HD21 . 11130 1
976 . 1 1 85 85 ASN HD22 H 1 6.993 0.030 . 2 . . . . 85 ASN HD22 . 11130 1
977 . 1 1 85 85 ASN C C 13 172.486 0.300 . 1 . . . . 85 ASN C . 11130 1
978 . 1 1 85 85 ASN CA C 13 51.852 0.300 . 1 . . . . 85 ASN CA . 11130 1
979 . 1 1 85 85 ASN CB C 13 37.430 0.300 . 1 . . . . 85 ASN CB . 11130 1
980 . 1 1 85 85 ASN N N 15 110.869 0.300 . 1 . . . . 85 ASN N . 11130 1
981 . 1 1 85 85 ASN ND2 N 15 114.282 0.300 . 1 . . . . 85 ASN ND2 . 11130 1
982 . 1 1 86 86 HIS H H 1 7.738 0.030 . 1 . . . . 86 HIS H . 11130 1
983 . 1 1 86 86 HIS HA H 1 5.009 0.030 . 1 . . . . 86 HIS HA . 11130 1
984 . 1 1 86 86 HIS HB2 H 1 2.676 0.030 . 2 . . . . 86 HIS HB2 . 11130 1
985 . 1 1 86 86 HIS HB3 H 1 2.472 0.030 . 2 . . . . 86 HIS HB3 . 11130 1
986 . 1 1 86 86 HIS HD2 H 1 6.495 0.030 . 1 . . . . 86 HIS HD2 . 11130 1
987 . 1 1 86 86 HIS HE1 H 1 7.892 0.030 . 1 . . . . 86 HIS HE1 . 11130 1
988 . 1 1 86 86 HIS C C 13 171.748 0.300 . 1 . . . . 86 HIS C . 11130 1
989 . 1 1 86 86 HIS CA C 13 50.598 0.300 . 1 . . . . 86 HIS CA . 11130 1
990 . 1 1 86 86 HIS CB C 13 26.383 0.300 . 1 . . . . 86 HIS CB . 11130 1
991 . 1 1 86 86 HIS CD2 C 13 125.647 0.300 . 1 . . . . 86 HIS CD2 . 11130 1
992 . 1 1 86 86 HIS CE1 C 13 137.505 0.300 . 1 . . . . 86 HIS CE1 . 11130 1
993 . 1 1 86 86 HIS N N 15 115.873 0.300 . 1 . . . . 86 HIS N . 11130 1
994 . 1 1 87 87 ASN H H 1 7.993 0.030 . 1 . . . . 87 ASN H . 11130 1
995 . 1 1 87 87 ASN HA H 1 4.602 0.030 . 1 . . . . 87 ASN HA . 11130 1
996 . 1 1 87 87 ASN HB2 H 1 2.768 0.030 . 2 . . . . 87 ASN HB2 . 11130 1
997 . 1 1 87 87 ASN HB3 H 1 2.703 0.030 . 2 . . . . 87 ASN HB3 . 11130 1
998 . 1 1 87 87 ASN HD21 H 1 7.424 0.030 . 2 . . . . 87 ASN HD21 . 11130 1
999 . 1 1 87 87 ASN HD22 H 1 6.755 0.030 . 2 . . . . 87 ASN HD22 . 11130 1
1000 . 1 1 87 87 ASN C C 13 172.614 0.300 . 1 . . . . 87 ASN C . 11130 1
1001 . 1 1 87 87 ASN CA C 13 51.226 0.300 . 1 . . . . 87 ASN CA . 11130 1
1002 . 1 1 87 87 ASN CB C 13 37.008 0.300 . 1 . . . . 87 ASN CB . 11130 1
1003 . 1 1 87 87 ASN N N 15 118.774 0.300 . 1 . . . . 87 ASN N . 11130 1
1004 . 1 1 87 87 ASN ND2 N 15 112.106 0.300 . 1 . . . . 87 ASN ND2 . 11130 1
1005 . 1 1 88 88 SER H H 1 8.041 0.030 . 1 . . . . 88 SER H . 11130 1
1006 . 1 1 88 88 SER HA H 1 4.328 0.030 . 1 . . . . 88 SER HA . 11130 1
1007 . 1 1 88 88 SER HB2 H 1 3.713 0.030 . 1 . . . . 88 SER HB2 . 11130 1
1008 . 1 1 88 88 SER HB3 H 1 3.713 0.030 . 1 . . . . 88 SER HB3 . 11130 1
1009 . 1 1 88 88 SER C C 13 171.620 0.300 . 1 . . . . 88 SER C . 11130 1
1010 . 1 1 88 88 SER CA C 13 55.855 0.300 . 1 . . . . 88 SER CA . 11130 1
1011 . 1 1 88 88 SER CB C 13 61.401 0.300 . 1 . . . . 88 SER CB . 11130 1
1012 . 1 1 88 88 SER N N 15 114.808 0.300 . 1 . . . . 88 SER N . 11130 1
1013 . 1 1 89 89 LEU H H 1 8.052 0.030 . 1 . . . . 89 LEU H . 11130 1
1014 . 1 1 89 89 LEU HA H 1 4.509 0.030 . 1 . . . . 89 LEU HA . 11130 1
1015 . 1 1 89 89 LEU HB2 H 1 1.483 0.030 . 2 . . . . 89 LEU HB2 . 11130 1
1016 . 1 1 89 89 LEU HB3 H 1 1.418 0.030 . 2 . . . . 89 LEU HB3 . 11130 1
1017 . 1 1 89 89 LEU HD11 H 1 0.770 0.030 . 1 . . . . 89 LEU HD1 . 11130 1
1018 . 1 1 89 89 LEU HD12 H 1 0.770 0.030 . 1 . . . . 89 LEU HD1 . 11130 1
1019 . 1 1 89 89 LEU HD13 H 1 0.770 0.030 . 1 . . . . 89 LEU HD1 . 11130 1
1020 . 1 1 89 89 LEU HD21 H 1 0.770 0.030 . 1 . . . . 89 LEU HD2 . 11130 1
1021 . 1 1 89 89 LEU HD22 H 1 0.770 0.030 . 1 . . . . 89 LEU HD2 . 11130 1
1022 . 1 1 89 89 LEU HD23 H 1 0.770 0.030 . 1 . . . . 89 LEU HD2 . 11130 1
1023 . 1 1 89 89 LEU HG H 1 1.521 0.030 . 1 . . . . 89 LEU HG . 11130 1
1024 . 1 1 89 89 LEU C C 13 173.030 0.300 . 1 . . . . 89 LEU C . 11130 1
1025 . 1 1 89 89 LEU CA C 13 50.726 0.300 . 1 . . . . 89 LEU CA . 11130 1
1026 . 1 1 89 89 LEU CB C 13 39.290 0.300 . 1 . . . . 89 LEU CB . 11130 1
1027 . 1 1 89 89 LEU CD1 C 13 22.827 0.300 . 2 . . . . 89 LEU CD1 . 11130 1
1028 . 1 1 89 89 LEU CD2 C 13 20.942 0.300 . 2 . . . . 89 LEU CD2 . 11130 1
1029 . 1 1 89 89 LEU CG C 13 24.616 0.300 . 1 . . . . 89 LEU CG . 11130 1
1030 . 1 1 89 89 LEU N N 15 124.287 0.300 . 1 . . . . 89 LEU N . 11130 1
1031 . 1 1 90 90 PRO HA H 1 4.360 0.030 . 1 . . . . 90 PRO HA . 11130 1
1032 . 1 1 90 90 PRO HB2 H 1 2.198 0.030 . 2 . . . . 90 PRO HB2 . 11130 1
1033 . 1 1 90 90 PRO HB3 H 1 1.837 0.030 . 2 . . . . 90 PRO HB3 . 11130 1
1034 . 1 1 90 90 PRO HD2 H 1 3.741 0.030 . 2 . . . . 90 PRO HD2 . 11130 1
1035 . 1 1 90 90 PRO HD3 H 1 3.546 0.030 . 2 . . . . 90 PRO HD3 . 11130 1
1036 . 1 1 90 90 PRO HG2 H 1 1.914 0.030 . 1 . . . . 90 PRO HG2 . 11130 1
1037 . 1 1 90 90 PRO HG3 H 1 1.914 0.030 . 1 . . . . 90 PRO HG3 . 11130 1
1038 . 1 1 90 90 PRO CA C 13 60.923 0.300 . 1 . . . . 90 PRO CA . 11130 1
1039 . 1 1 90 90 PRO CB C 13 29.722 0.300 . 1 . . . . 90 PRO CB . 11130 1
1040 . 1 1 90 90 PRO CD C 13 48.186 0.300 . 1 . . . . 90 PRO CD . 11130 1
1041 . 1 1 90 90 PRO CG C 13 25.043 0.300 . 1 . . . . 90 PRO CG . 11130 1
1042 . 1 1 91 91 SER H H 1 8.288 0.030 . 1 . . . . 91 SER H . 11130 1
1043 . 1 1 91 91 SER HA H 1 4.360 0.030 . 1 . . . . 91 SER HA . 11130 1
1044 . 1 1 91 91 SER HB2 H 1 3.741 0.030 . 1 . . . . 91 SER HB2 . 11130 1
1045 . 1 1 91 91 SER HB3 H 1 3.741 0.030 . 1 . . . . 91 SER HB3 . 11130 1
1046 . 1 1 91 91 SER CA C 13 55.838 0.300 . 1 . . . . 91 SER CA . 11130 1
1047 . 1 1 91 91 SER CB C 13 61.692 0.300 . 1 . . . . 91 SER CB . 11130 1
1048 . 1 1 91 91 SER N N 15 115.569 0.300 . 1 . . . . 91 SER N . 11130 1
1049 . 1 1 92 92 GLY H H 1 8.104 0.030 . 1 . . . . 92 GLY H . 11130 1
1050 . 1 1 92 92 GLY HA2 H 1 3.986 0.030 . 2 . . . . 92 GLY HA2 . 11130 1
1051 . 1 1 92 92 GLY HA3 H 1 4.050 0.030 . 2 . . . . 92 GLY HA3 . 11130 1
1052 . 1 1 92 92 GLY CA C 13 42.308 0.300 . 1 . . . . 92 GLY CA . 11130 1
1053 . 1 1 92 92 GLY N N 15 110.190 0.300 . 1 . . . . 92 GLY N . 11130 1
1054 . 1 1 93 93 PRO HA H 1 4.360 0.030 . 1 . . . . 93 PRO HA . 11130 1
1055 . 1 1 93 93 PRO HB2 H 1 2.205 0.030 . 2 . . . . 93 PRO HB2 . 11130 1
1056 . 1 1 93 93 PRO HB3 H 1 1.854 0.030 . 2 . . . . 93 PRO HB3 . 11130 1
1057 . 1 1 93 93 PRO HD2 H 1 3.516 0.030 . 1 . . . . 93 PRO HD2 . 11130 1
1058 . 1 1 93 93 PRO HD3 H 1 3.516 0.030 . 1 . . . . 93 PRO HD3 . 11130 1
1059 . 1 1 93 93 PRO HG2 H 1 1.907 0.030 . 1 . . . . 93 PRO HG2 . 11130 1
1060 . 1 1 93 93 PRO HG3 H 1 1.907 0.030 . 1 . . . . 93 PRO HG3 . 11130 1
1061 . 1 1 93 93 PRO CA C 13 60.869 0.300 . 1 . . . . 93 PRO CA . 11130 1
1062 . 1 1 93 93 PRO CB C 13 29.807 0.300 . 1 . . . . 93 PRO CB . 11130 1
1063 . 1 1 93 93 PRO CD C 13 47.439 0.300 . 1 . . . . 93 PRO CD . 11130 1
1064 . 1 1 93 93 PRO CG C 13 24.699 0.300 . 1 . . . . 93 PRO CG . 11130 1
1065 . 1 1 94 94 SER H H 1 8.433 0.030 . 1 . . . . 94 SER H . 11130 1
1066 . 1 1 94 94 SER HA H 1 4.406 0.030 . 1 . . . . 94 SER HA . 11130 1
1067 . 1 1 94 94 SER HB2 H 1 3.789 0.030 . 1 . . . . 94 SER HB2 . 11130 1
1068 . 1 1 94 94 SER HB3 H 1 3.789 0.030 . 1 . . . . 94 SER HB3 . 11130 1
1069 . 1 1 94 94 SER C C 13 172.312 0.300 . 1 . . . . 94 SER C . 11130 1
1070 . 1 1 94 94 SER CA C 13 55.979 0.300 . 1 . . . . 94 SER CA . 11130 1
1071 . 1 1 94 94 SER CB C 13 61.363 0.300 . 1 . . . . 94 SER CB . 11130 1
1072 . 1 1 94 94 SER N N 15 116.021 0.300 . 1 . . . . 94 SER N . 11130 1
1073 . 1 1 95 95 SER H H 1 8.228 0.030 . 1 . . . . 95 SER H . 11130 1
1074 . 1 1 95 95 SER HA H 1 4.370 0.030 . 1 . . . . 95 SER HA . 11130 1
1075 . 1 1 95 95 SER HB2 H 1 3.789 0.030 . 2 . . . . 95 SER HB2 . 11130 1
1076 . 1 1 95 95 SER C C 13 171.572 0.300 . 1 . . . . 95 SER C . 11130 1
1077 . 1 1 95 95 SER CA C 13 56.014 0.300 . 1 . . . . 95 SER CA . 11130 1
1078 . 1 1 95 95 SER CB C 13 61.610 0.300 . 1 . . . . 95 SER CB . 11130 1
1079 . 1 1 95 95 SER N N 15 117.441 0.300 . 1 . . . . 95 SER N . 11130 1
1080 . 1 1 96 96 GLY H H 1 7.948 0.030 . 1 . . . . 96 GLY H . 11130 1
1081 . 1 1 96 96 GLY HA2 H 1 3.647 0.030 . 2 . . . . 96 GLY HA2 . 11130 1
1082 . 1 1 96 96 GLY HA3 H 1 3.692 0.030 . 2 . . . . 96 GLY HA3 . 11130 1
1083 . 1 1 96 96 GLY C C 13 176.624 0.300 . 1 . . . . 96 GLY C . 11130 1
1084 . 1 1 96 96 GLY CA C 13 43.851 0.300 . 1 . . . . 96 GLY CA . 11130 1
1085 . 1 1 96 96 GLY N N 15 116.438 0.300 . 1 . . . . 96 GLY N . 11130 1
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