data_11340
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11340
_Entry.Title
;
Solution structure of the RING domain of the human TNF receptor-associated
factor 6 protein
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-08-10
_Entry.Accession_date 2010-08-10
_Entry.Last_release_date 2011-08-19
_Entry.Original_release_date 2011-08-19
_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 K. Miyamoto . . . 11340
2 M. Sato . . . 11340
3 S. Koshiba . . . 11340
4 S. Watanabe . . . 11340
5 T. Harada . . . 11340
6 T. Kigawa . . . 11340
7 S. Yokoyama . . . 11340
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)' . 11340
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 11340
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 373 11340
'15N chemical shifts' 80 11340
'1H chemical shifts' 584 11340
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 . . 2011-08-19 2010-08-10 original author . 11340
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2ECI 'BMRB Entry Tracking System' 11340
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 11340
_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 the RING domain of the human TNF receptor-associated
factor 6 protein
;
_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 K. Miyamoto . . . 11340 1
2 M. Sato . . . 11340 1
3 S. Koshiba . . . 11340 1
4 S. Watanabe . . . 11340 1
5 T. Harada . . . 11340 1
6 T. Kigawa . . . 11340 1
7 S. Yokoyama . . . 11340 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 11340
_Assembly.ID 1
_Assembly.Name 'TNF receptor-associated factor 6'
_Assembly.BMRB_code .
_Assembly.Number_of_components 3
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'RING domain' 1 $entity_1 A . yes native no no . . . 11340 1
2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11340 1
3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11340 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 'RING domain' 1 CYS 28 28 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 28 CYS SG . . . . ZN 11340 1
2 coordination single . 1 'RING domain' 1 CYS 31 31 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 31 CYS SG . . . . ZN 11340 1
3 coordination single . 1 'RING domain' 1 CYS 43 43 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 43 CYS SG . . . . ZN 11340 1
4 coordination single . 1 'RING domain' 1 HIS 45 45 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 45 HIS ND1 . . . . ZN 11340 1
5 coordination single . 1 'RING domain' 1 CYS 48 48 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 48 CYS SG . . . . ZN 11340 1
6 coordination single . 1 'RING domain' 1 CYS 51 51 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 51 CYS SG . . . . ZN 11340 1
7 coordination single . 1 'RING domain' 1 CYS 63 63 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 63 CYS SG . . . . ZN 11340 1
8 coordination single . 1 'RING domain' 1 ASP 66 66 OD2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 66 ASP OD2 . . . . ZN 11340 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 CYS 63 63 HG . 63 CYS HG 11340 1
. . 1 1 ASP 66 66 HD2 . 66 ASP HD2 11340 1
. . 1 1 CYS 48 48 HG . 48 CYS HG 11340 1
. . 1 1 CYS 51 51 HG . 51 CYS HG 11340 1
. . 1 1 CYS 43 43 HG . 43 CYS HG 11340 1
. . 1 1 HIS 45 45 HD1 . 45 HIS HD1 11340 1
. . 1 1 CYS 28 28 HG . 28 CYS HG 11340 1
. . 1 1 CYS 31 31 HG . 31 CYS HG 11340 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 2eci . . . . . . 11340 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 11340
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'RING domain'
_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
;
GSSGSSGMEEIQGYDVEFDP
PLESKYECPICLMALREAVQ
TPCGHRFCKACIIKSIRDAG
HKCPVDNEILLENQLFPDNF
AKREIL
;
_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 86
_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 BMRB 15014 . hTRAF6 . . . . . 72.09 63 98.39 98.39 5.07e-36 . . . . 11340 1
2 no PDB 2ECI . "Solution Structure Of The Ring Domain Of The Human Tnf Receptor-Associated Factor 6 Protein" . . . . . 100.00 86 100.00 100.00 1.35e-55 . . . . 11340 1
3 no PDB 2JMD . "Solution Structure Of The Ring Domain Of Human Traf6" . . . . . 72.09 63 98.39 98.39 5.07e-36 . . . . 11340 1
4 no PDB 3HCS . "Crystal Structure Of The N-Terminal Domain Of Traf6" . . . . . 91.86 170 100.00 100.00 2.83e-49 . . . . 11340 1
5 no PDB 3HCT . "Crystal Structure Of Traf6 In Complex With Ubc13 In The P1 Space Group" . . . . . 91.86 118 100.00 100.00 3.40e-50 . . . . 11340 1
6 no PDB 3HCU . "Crystal Structure Of Traf6 In Complex With Ubc13 In The C2 Space Group" . . . . . 91.86 118 100.00 100.00 3.40e-50 . . . . 11340 1
7 no GB AAI02523 . "TNF receptor-associated factor 6 [Bos taurus]" . . . . . 96.51 542 97.59 97.59 4.53e-48 . . . . 11340 1
8 no GB ABC47877 . "TNF receptor-associated factor 6 [Bos taurus]" . . . . . 96.51 542 97.59 97.59 4.53e-48 . . . . 11340 1
9 no GB ABD72516 . "TNF receptor-associated factor 6 [Bos taurus]" . . . . . 96.51 542 97.59 97.59 4.53e-48 . . . . 11340 1
10 no GB ABF06558 . "TNF receptor-associated factor 6 [Bos taurus]" . . . . . 96.51 542 97.59 97.59 5.39e-48 . . . . 11340 1
11 no GB AFG21868 . "traf6, partial [Capra hircus]" . . . . . 83.72 270 100.00 100.00 5.19e-43 . . . . 11340 1
12 no REF NP_001029833 . "TNF receptor-associated factor 6 [Bos taurus]" . . . . . 96.51 542 97.59 97.59 4.53e-48 . . . . 11340 1
13 no REF XP_004016459 . "PREDICTED: TNF receptor-associated factor 6 [Ovis aries]" . . . . . 96.51 542 97.59 97.59 5.23e-48 . . . . 11340 1
14 no REF XP_004264064 . "PREDICTED: TNF receptor-associated factor 6 [Orcinus orca]" . . . . . 96.51 561 97.59 97.59 5.71e-48 . . . . 11340 1
15 no REF XP_004330939 . "PREDICTED: TNF receptor-associated factor 6-like [Tursiops truncatus]" . . . . . 96.51 228 97.59 97.59 1.41e-50 . . . . 11340 1
16 no REF XP_004627096 . "PREDICTED: TNF receptor-associated factor 6 [Octodon degus]" . . . . . 91.86 543 100.00 100.00 6.25e-47 . . . . 11340 1
17 no SP Q3ZCC3 . "RecName: Full=TNF receptor-associated factor 6; AltName: Full=E3 ubiquitin-protein ligase TRAF6" . . . . . 96.51 542 97.59 97.59 4.53e-48 . . . . 11340 1
18 no TPG DAA21840 . "TPA: TNF receptor-associated factor 6 [Bos taurus]" . . . . . 96.51 542 97.59 97.59 4.53e-48 . . . . 11340 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'RING domain' . 11340 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 . 11340 1
2 . SER . 11340 1
3 . SER . 11340 1
4 . GLY . 11340 1
5 . SER . 11340 1
6 . SER . 11340 1
7 . GLY . 11340 1
8 . MET . 11340 1
9 . GLU . 11340 1
10 . GLU . 11340 1
11 . ILE . 11340 1
12 . GLN . 11340 1
13 . GLY . 11340 1
14 . TYR . 11340 1
15 . ASP . 11340 1
16 . VAL . 11340 1
17 . GLU . 11340 1
18 . PHE . 11340 1
19 . ASP . 11340 1
20 . PRO . 11340 1
21 . PRO . 11340 1
22 . LEU . 11340 1
23 . GLU . 11340 1
24 . SER . 11340 1
25 . LYS . 11340 1
26 . TYR . 11340 1
27 . GLU . 11340 1
28 . CYS . 11340 1
29 . PRO . 11340 1
30 . ILE . 11340 1
31 . CYS . 11340 1
32 . LEU . 11340 1
33 . MET . 11340 1
34 . ALA . 11340 1
35 . LEU . 11340 1
36 . ARG . 11340 1
37 . GLU . 11340 1
38 . ALA . 11340 1
39 . VAL . 11340 1
40 . GLN . 11340 1
41 . THR . 11340 1
42 . PRO . 11340 1
43 . CYS . 11340 1
44 . GLY . 11340 1
45 . HIS . 11340 1
46 . ARG . 11340 1
47 . PHE . 11340 1
48 . CYS . 11340 1
49 . LYS . 11340 1
50 . ALA . 11340 1
51 . CYS . 11340 1
52 . ILE . 11340 1
53 . ILE . 11340 1
54 . LYS . 11340 1
55 . SER . 11340 1
56 . ILE . 11340 1
57 . ARG . 11340 1
58 . ASP . 11340 1
59 . ALA . 11340 1
60 . GLY . 11340 1
61 . HIS . 11340 1
62 . LYS . 11340 1
63 . CYS . 11340 1
64 . PRO . 11340 1
65 . VAL . 11340 1
66 . ASP . 11340 1
67 . ASN . 11340 1
68 . GLU . 11340 1
69 . ILE . 11340 1
70 . LEU . 11340 1
71 . LEU . 11340 1
72 . GLU . 11340 1
73 . ASN . 11340 1
74 . GLN . 11340 1
75 . LEU . 11340 1
76 . PHE . 11340 1
77 . PRO . 11340 1
78 . ASP . 11340 1
79 . ASN . 11340 1
80 . PHE . 11340 1
81 . ALA . 11340 1
82 . LYS . 11340 1
83 . ARG . 11340 1
84 . GLU . 11340 1
85 . ILE . 11340 1
86 . LEU . 11340 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 11340 1
. SER 2 2 11340 1
. SER 3 3 11340 1
. GLY 4 4 11340 1
. SER 5 5 11340 1
. SER 6 6 11340 1
. GLY 7 7 11340 1
. MET 8 8 11340 1
. GLU 9 9 11340 1
. GLU 10 10 11340 1
. ILE 11 11 11340 1
. GLN 12 12 11340 1
. GLY 13 13 11340 1
. TYR 14 14 11340 1
. ASP 15 15 11340 1
. VAL 16 16 11340 1
. GLU 17 17 11340 1
. PHE 18 18 11340 1
. ASP 19 19 11340 1
. PRO 20 20 11340 1
. PRO 21 21 11340 1
. LEU 22 22 11340 1
. GLU 23 23 11340 1
. SER 24 24 11340 1
. LYS 25 25 11340 1
. TYR 26 26 11340 1
. GLU 27 27 11340 1
. CYS 28 28 11340 1
. PRO 29 29 11340 1
. ILE 30 30 11340 1
. CYS 31 31 11340 1
. LEU 32 32 11340 1
. MET 33 33 11340 1
. ALA 34 34 11340 1
. LEU 35 35 11340 1
. ARG 36 36 11340 1
. GLU 37 37 11340 1
. ALA 38 38 11340 1
. VAL 39 39 11340 1
. GLN 40 40 11340 1
. THR 41 41 11340 1
. PRO 42 42 11340 1
. CYS 43 43 11340 1
. GLY 44 44 11340 1
. HIS 45 45 11340 1
. ARG 46 46 11340 1
. PHE 47 47 11340 1
. CYS 48 48 11340 1
. LYS 49 49 11340 1
. ALA 50 50 11340 1
. CYS 51 51 11340 1
. ILE 52 52 11340 1
. ILE 53 53 11340 1
. LYS 54 54 11340 1
. SER 55 55 11340 1
. ILE 56 56 11340 1
. ARG 57 57 11340 1
. ASP 58 58 11340 1
. ALA 59 59 11340 1
. GLY 60 60 11340 1
. HIS 61 61 11340 1
. LYS 62 62 11340 1
. CYS 63 63 11340 1
. PRO 64 64 11340 1
. VAL 65 65 11340 1
. ASP 66 66 11340 1
. ASN 67 67 11340 1
. GLU 68 68 11340 1
. ILE 69 69 11340 1
. LEU 70 70 11340 1
. LEU 71 71 11340 1
. GLU 72 72 11340 1
. ASN 73 73 11340 1
. GLN 74 74 11340 1
. LEU 75 75 11340 1
. PHE 76 76 11340 1
. PRO 77 77 11340 1
. ASP 78 78 11340 1
. ASN 79 79 11340 1
. PHE 80 80 11340 1
. ALA 81 81 11340 1
. LYS 82 82 11340 1
. ARG 83 83 11340 1
. GLU 84 84 11340 1
. ILE 85 85 11340 1
. LEU 86 86 11340 1
stop_
save_
save_ZN
_Entity.Sf_category entity
_Entity.Sf_framecode ZN
_Entity.Entry_ID 11340
_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 . 11340 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 11340
_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 . . . . . . . . . . . . . . . . . . . . . 11340 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 11340
_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' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P060613-08 . . . . . . 11340 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 11340
_Chem_comp.ID ZN
_Chem_comp.Provenance .
_Chem_comp.Name 'ZINC ION'
_Chem_comp.Type non-polymer
_Chem_comp.BMRB_code .
_Chem_comp.PDB_code ZN
_Chem_comp.Ambiguous_flag no
_Chem_comp.Initial_date 1999-07-08
_Chem_comp.Modified_date 2008-12-05
_Chem_comp.Release_status REL
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code ZN
_Chem_comp.Number_atoms_all .
_Chem_comp.Number_atoms_nh .
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code .
_Chem_comp.Mon_nstd_flag .
_Chem_comp.Mon_nstd_class .
_Chem_comp.Mon_nstd_details .
_Chem_comp.Mon_nstd_parent .
_Chem_comp.Mon_nstd_parent_comp_ID .
_Chem_comp.Std_deriv_one_letter_code .
_Chem_comp.Std_deriv_three_letter_code .
_Chem_comp.Std_deriv_BMRB_code .
_Chem_comp.Std_deriv_PDB_code .
_Chem_comp.Std_deriv_chem_comp_name .
_Chem_comp.Synonyms .
_Chem_comp.Formal_charge 2
_Chem_comp.Paramagnetic .
_Chem_comp.Aromatic no
_Chem_comp.Formula Zn
_Chem_comp.Formula_weight 65.409
_Chem_comp.Formula_mono_iso_wt_nat .
_Chem_comp.Formula_mono_iso_wt_13C .
_Chem_comp.Formula_mono_iso_wt_15N .
_Chem_comp.Formula_mono_iso_wt_13C_15N .
_Chem_comp.Image_file_name .
_Chem_comp.Image_file_format .
_Chem_comp.Topo_file_name .
_Chem_comp.Topo_file_format .
_Chem_comp.Struct_file_name .
_Chem_comp.Struct_file_format .
_Chem_comp.Stereochem_param_file_name .
_Chem_comp.Stereochem_param_file_format .
_Chem_comp.Model_details .
_Chem_comp.Model_erf .
_Chem_comp.Model_source .
_Chem_comp.Model_coordinates_details .
_Chem_comp.Model_coordinates_missing_flag no
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag no
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site RCSB
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on 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 11340 ZN
PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11340 ZN
[Zn++] SMILES CACTVS 3.341 11340 ZN
[Zn++] SMILES_CANONICAL CACTVS 3.341 11340 ZN
[Zn+2] SMILES ACDLabs 10.04 11340 ZN
[Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11340 ZN
[Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11340 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 11340 ZN
'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11340 ZN
stop_
loop_
_Chem_comp_atom.Atom_ID
_Chem_comp_atom.BMRB_code
_Chem_comp_atom.PDB_atom_ID
_Chem_comp_atom.Alt_atom_ID
_Chem_comp_atom.Auth_atom_ID
_Chem_comp_atom.Type_symbol
_Chem_comp_atom.Isotope_number
_Chem_comp_atom.Chirality
_Chem_comp_atom.Stereo_config
_Chem_comp_atom.Charge
_Chem_comp_atom.Partial_charge
_Chem_comp_atom.Oxidation_number
_Chem_comp_atom.Unpaired_electron_number
_Chem_comp_atom.Align
_Chem_comp_atom.Aromatic_flag
_Chem_comp_atom.Leaving_atom_flag
_Chem_comp_atom.Substruct_code
_Chem_comp_atom.Ionizable
_Chem_comp_atom.Drawing_2D_coord_x
_Chem_comp_atom.Drawing_2D_coord_y
_Chem_comp_atom.Model_Cartn_x
_Chem_comp_atom.Model_Cartn_x_esd
_Chem_comp_atom.Model_Cartn_y
_Chem_comp_atom.Model_Cartn_y_esd
_Chem_comp_atom.Model_Cartn_z
_Chem_comp_atom.Model_Cartn_z_esd
_Chem_comp_atom.Model_Cartn_x_ideal
_Chem_comp_atom.Model_Cartn_y_ideal
_Chem_comp_atom.Model_Cartn_z_ideal
_Chem_comp_atom.PDBX_ordinal
_Chem_comp_atom.Details
_Chem_comp_atom.Entry_ID
_Chem_comp_atom.Comp_ID
ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11340 ZN
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 11340
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details
;
1.08mM RING domain U-13C, {15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;}
1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 90% H2O, 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 'RING domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.08 . . mM . . . . 11340 1
2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11340 1
3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11340 1
4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11340 1
5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11340 1
6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11340 1
7 IDA 'natural abundance' . . . . . salt 1.0 . . mM . . . . 11340 1
8 H2O . . . . . . solvent 90 . . % . . . . 11340 1
9 D2O . . . . . . solvent 10 . . % . . . . 11340 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 11340
_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 11340 1
pH 7.0 0.05 pH 11340 1
pressure 1 0.001 atm 11340 1
temperature 296 0.1 K 11340 1
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Software.Sf_category software
_Software.Sf_framecode XWINNMR
_Software.Entry_ID 11340
_Software.ID 1
_Software.Name xwinnmr
_Software.Version 3.5
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Bruker . . 11340 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 11340 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 11340
_Software.ID 2
_Software.Name NMRPipe
_Software.Version 20031121
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, F.' . . 11340 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 11340 2
stop_
save_
save_NMRView
_Software.Sf_category software
_Software.Sf_framecode NMRView
_Software.Entry_ID 11340
_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.' . . 11340 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11340 3
stop_
save_
save_Kujira
_Software.Sf_category software
_Software.Sf_framecode Kujira
_Software.Entry_ID 11340
_Software.ID 4
_Software.Name Kujira
_Software.Version 0.9820
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Kobayashi, N.' . . 11340 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11340 4
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 11340
_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.' . . 11340 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 11340 5
'structure solution' 11340 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 11340
_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 11340
_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 . . . 11340 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 11340
_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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11340 1
2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11340 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 11340
_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 . . . . . . . . . 11340 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11340 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11340 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 11340
_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 13C-separated NOESY' 1 $sample_1 isotropic 11340 1
2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11340 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 . . 11340 1
2 $NMRPipe . . 11340 1
3 $NMRView . . 11340 1
4 $Kujira . . 11340 1
5 $CYANA . . 11340 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 5 5 SER HA H 1 4.526 0.030 . 1 . . . . 5 SER HA . 11340 1
2 . 1 1 5 5 SER HB2 H 1 3.883 0.030 . 1 . . . . 5 SER HB2 . 11340 1
3 . 1 1 5 5 SER HB3 H 1 3.883 0.030 . 1 . . . . 5 SER HB3 . 11340 1
4 . 1 1 5 5 SER C C 13 174.878 0.300 . 1 . . . . 5 SER C . 11340 1
5 . 1 1 5 5 SER CA C 13 58.323 0.300 . 1 . . . . 5 SER CA . 11340 1
6 . 1 1 5 5 SER CB C 13 63.735 0.300 . 1 . . . . 5 SER CB . 11340 1
7 . 1 1 6 6 SER H H 1 8.525 0.030 . 1 . . . . 6 SER H . 11340 1
8 . 1 1 6 6 SER HA H 1 4.480 0.030 . 1 . . . . 6 SER HA . 11340 1
9 . 1 1 6 6 SER HB2 H 1 3.906 0.030 . 1 . . . . 6 SER HB2 . 11340 1
10 . 1 1 6 6 SER HB3 H 1 3.906 0.030 . 1 . . . . 6 SER HB3 . 11340 1
11 . 1 1 6 6 SER C C 13 175.129 0.300 . 1 . . . . 6 SER C . 11340 1
12 . 1 1 6 6 SER CA C 13 58.735 0.300 . 1 . . . . 6 SER CA . 11340 1
13 . 1 1 6 6 SER CB C 13 63.686 0.300 . 1 . . . . 6 SER CB . 11340 1
14 . 1 1 6 6 SER N N 15 118.018 0.300 . 1 . . . . 6 SER N . 11340 1
15 . 1 1 7 7 GLY H H 1 8.500 0.030 . 1 . . . . 7 GLY H . 11340 1
16 . 1 1 7 7 GLY HA2 H 1 3.984 0.030 . 1 . . . . 7 GLY HA2 . 11340 1
17 . 1 1 7 7 GLY HA3 H 1 3.984 0.030 . 1 . . . . 7 GLY HA3 . 11340 1
18 . 1 1 7 7 GLY C C 13 174.313 0.300 . 1 . . . . 7 GLY C . 11340 1
19 . 1 1 7 7 GLY CA C 13 45.510 0.300 . 1 . . . . 7 GLY CA . 11340 1
20 . 1 1 7 7 GLY N N 15 110.994 0.300 . 1 . . . . 7 GLY N . 11340 1
21 . 1 1 8 8 MET H H 1 8.193 0.030 . 1 . . . . 8 MET H . 11340 1
22 . 1 1 8 8 MET HA H 1 4.483 0.030 . 1 . . . . 8 MET HA . 11340 1
23 . 1 1 8 8 MET HB2 H 1 2.098 0.030 . 2 . . . . 8 MET HB2 . 11340 1
24 . 1 1 8 8 MET HB3 H 1 1.963 0.030 . 2 . . . . 8 MET HB3 . 11340 1
25 . 1 1 8 8 MET HE1 H 1 2.080 0.030 . 1 . . . . 8 MET HE . 11340 1
26 . 1 1 8 8 MET HE2 H 1 2.080 0.030 . 1 . . . . 8 MET HE . 11340 1
27 . 1 1 8 8 MET HE3 H 1 2.080 0.030 . 1 . . . . 8 MET HE . 11340 1
28 . 1 1 8 8 MET HG2 H 1 2.081 0.030 . 1 . . . . 8 MET HG2 . 11340 1
29 . 1 1 8 8 MET HG3 H 1 2.081 0.030 . 1 . . . . 8 MET HG3 . 11340 1
30 . 1 1 8 8 MET C C 13 176.318 0.300 . 1 . . . . 8 MET C . 11340 1
31 . 1 1 8 8 MET CA C 13 55.472 0.300 . 1 . . . . 8 MET CA . 11340 1
32 . 1 1 8 8 MET CB C 13 32.888 0.300 . 1 . . . . 8 MET CB . 11340 1
33 . 1 1 8 8 MET CE C 13 16.980 0.300 . 1 . . . . 8 MET CE . 11340 1
34 . 1 1 8 8 MET CG C 13 31.890 0.300 . 1 . . . . 8 MET CG . 11340 1
35 . 1 1 8 8 MET N N 15 119.618 0.300 . 1 . . . . 8 MET N . 11340 1
36 . 1 1 9 9 GLU H H 1 8.550 0.030 . 1 . . . . 9 GLU H . 11340 1
37 . 1 1 9 9 GLU HA H 1 4.220 0.030 . 1 . . . . 9 GLU HA . 11340 1
38 . 1 1 9 9 GLU HB2 H 1 1.932 0.030 . 2 . . . . 9 GLU HB2 . 11340 1
39 . 1 1 9 9 GLU HB3 H 1 2.023 0.030 . 2 . . . . 9 GLU HB3 . 11340 1
40 . 1 1 9 9 GLU HG2 H 1 2.206 0.030 . 1 . . . . 9 GLU HG2 . 11340 1
41 . 1 1 9 9 GLU HG3 H 1 2.206 0.030 . 1 . . . . 9 GLU HG3 . 11340 1
42 . 1 1 9 9 GLU C C 13 176.497 0.300 . 1 . . . . 9 GLU C . 11340 1
43 . 1 1 9 9 GLU CA C 13 57.030 0.300 . 1 . . . . 9 GLU CA . 11340 1
44 . 1 1 9 9 GLU CB C 13 30.100 0.300 . 1 . . . . 9 GLU CB . 11340 1
45 . 1 1 9 9 GLU CG C 13 36.295 0.300 . 1 . . . . 9 GLU CG . 11340 1
46 . 1 1 9 9 GLU N N 15 121.691 0.300 . 1 . . . . 9 GLU N . 11340 1
47 . 1 1 10 10 GLU H H 1 8.400 0.030 . 1 . . . . 10 GLU H . 11340 1
48 . 1 1 10 10 GLU HA H 1 4.272 0.030 . 1 . . . . 10 GLU HA . 11340 1
49 . 1 1 10 10 GLU HB2 H 1 1.904 0.030 . 1 . . . . 10 GLU HB2 . 11340 1
50 . 1 1 10 10 GLU HB3 H 1 1.904 0.030 . 1 . . . . 10 GLU HB3 . 11340 1
51 . 1 1 10 10 GLU HG2 H 1 2.181 0.030 . 2 . . . . 10 GLU HG2 . 11340 1
52 . 1 1 10 10 GLU HG3 H 1 2.259 0.030 . 2 . . . . 10 GLU HG3 . 11340 1
53 . 1 1 10 10 GLU C C 13 176.375 0.300 . 1 . . . . 10 GLU C . 11340 1
54 . 1 1 10 10 GLU CA C 13 56.536 0.300 . 1 . . . . 10 GLU CA . 11340 1
55 . 1 1 10 10 GLU CB C 13 30.301 0.300 . 1 . . . . 10 GLU CB . 11340 1
56 . 1 1 10 10 GLU CG C 13 36.293 0.300 . 1 . . . . 10 GLU CG . 11340 1
57 . 1 1 10 10 GLU N N 15 121.831 0.300 . 1 . . . . 10 GLU N . 11340 1
58 . 1 1 11 11 ILE H H 1 8.174 0.030 . 1 . . . . 11 ILE H . 11340 1
59 . 1 1 11 11 ILE HA H 1 4.139 0.030 . 1 . . . . 11 ILE HA . 11340 1
60 . 1 1 11 11 ILE HB H 1 1.847 0.030 . 1 . . . . 11 ILE HB . 11340 1
61 . 1 1 11 11 ILE HD11 H 1 0.838 0.030 . 1 . . . . 11 ILE HD1 . 11340 1
62 . 1 1 11 11 ILE HD12 H 1 0.838 0.030 . 1 . . . . 11 ILE HD1 . 11340 1
63 . 1 1 11 11 ILE HD13 H 1 0.838 0.030 . 1 . . . . 11 ILE HD1 . 11340 1
64 . 1 1 11 11 ILE HG12 H 1 1.158 0.030 . 2 . . . . 11 ILE HG12 . 11340 1
65 . 1 1 11 11 ILE HG13 H 1 1.466 0.030 . 2 . . . . 11 ILE HG13 . 11340 1
66 . 1 1 11 11 ILE HG21 H 1 0.872 0.030 . 1 . . . . 11 ILE HG2 . 11340 1
67 . 1 1 11 11 ILE HG22 H 1 0.872 0.030 . 1 . . . . 11 ILE HG2 . 11340 1
68 . 1 1 11 11 ILE HG23 H 1 0.872 0.030 . 1 . . . . 11 ILE HG2 . 11340 1
69 . 1 1 11 11 ILE C C 13 176.235 0.300 . 1 . . . . 11 ILE C . 11340 1
70 . 1 1 11 11 ILE CA C 13 61.054 0.300 . 1 . . . . 11 ILE CA . 11340 1
71 . 1 1 11 11 ILE CB C 13 38.626 0.300 . 1 . . . . 11 ILE CB . 11340 1
72 . 1 1 11 11 ILE CD1 C 13 12.794 0.300 . 1 . . . . 11 ILE CD1 . 11340 1
73 . 1 1 11 11 ILE CG1 C 13 27.079 0.300 . 1 . . . . 11 ILE CG1 . 11340 1
74 . 1 1 11 11 ILE CG2 C 13 17.527 0.300 . 1 . . . . 11 ILE CG2 . 11340 1
75 . 1 1 11 11 ILE N N 15 122.293 0.300 . 1 . . . . 11 ILE N . 11340 1
76 . 1 1 12 12 GLN H H 1 8.476 0.030 . 1 . . . . 12 GLN H . 11340 1
77 . 1 1 12 12 GLN HA H 1 4.305 0.030 . 1 . . . . 12 GLN HA . 11340 1
78 . 1 1 12 12 GLN HB2 H 1 1.946 0.030 . 2 . . . . 12 GLN HB2 . 11340 1
79 . 1 1 12 12 GLN HB3 H 1 2.035 0.030 . 2 . . . . 12 GLN HB3 . 11340 1
80 . 1 1 12 12 GLN HE21 H 1 7.516 0.030 . 2 . . . . 12 GLN HE21 . 11340 1
81 . 1 1 12 12 GLN HE22 H 1 6.837 0.030 . 2 . . . . 12 GLN HE22 . 11340 1
82 . 1 1 12 12 GLN HG2 H 1 2.332 0.030 . 1 . . . . 12 GLN HG2 . 11340 1
83 . 1 1 12 12 GLN HG3 H 1 2.332 0.030 . 1 . . . . 12 GLN HG3 . 11340 1
84 . 1 1 12 12 GLN C C 13 176.208 0.300 . 1 . . . . 12 GLN C . 11340 1
85 . 1 1 12 12 GLN CA C 13 55.942 0.300 . 1 . . . . 12 GLN CA . 11340 1
86 . 1 1 12 12 GLN CB C 13 29.432 0.300 . 1 . . . . 12 GLN CB . 11340 1
87 . 1 1 12 12 GLN CG C 13 33.740 0.300 . 1 . . . . 12 GLN CG . 11340 1
88 . 1 1 12 12 GLN N N 15 124.848 0.300 . 1 . . . . 12 GLN N . 11340 1
89 . 1 1 12 12 GLN NE2 N 15 112.619 0.300 . 1 . . . . 12 GLN NE2 . 11340 1
90 . 1 1 13 13 GLY H H 1 8.385 0.030 . 1 . . . . 13 GLY H . 11340 1
91 . 1 1 13 13 GLY HA2 H 1 3.877 0.030 . 1 . . . . 13 GLY HA2 . 11340 1
92 . 1 1 13 13 GLY HA3 H 1 3.877 0.030 . 1 . . . . 13 GLY HA3 . 11340 1
93 . 1 1 13 13 GLY C C 13 173.601 0.300 . 1 . . . . 13 GLY C . 11340 1
94 . 1 1 13 13 GLY CA C 13 45.180 0.300 . 1 . . . . 13 GLY CA . 11340 1
95 . 1 1 13 13 GLY N N 15 110.319 0.300 . 1 . . . . 13 GLY N . 11340 1
96 . 1 1 14 14 TYR H H 1 7.994 0.030 . 1 . . . . 14 TYR H . 11340 1
97 . 1 1 14 14 TYR HA H 1 4.577 0.030 . 1 . . . . 14 TYR HA . 11340 1
98 . 1 1 14 14 TYR HB2 H 1 2.906 0.030 . 2 . . . . 14 TYR HB2 . 11340 1
99 . 1 1 14 14 TYR HB3 H 1 3.059 0.030 . 2 . . . . 14 TYR HB3 . 11340 1
100 . 1 1 14 14 TYR HD1 H 1 7.087 0.030 . 1 . . . . 14 TYR HD1 . 11340 1
101 . 1 1 14 14 TYR HD2 H 1 7.087 0.030 . 1 . . . . 14 TYR HD2 . 11340 1
102 . 1 1 14 14 TYR HE1 H 1 6.802 0.030 . 1 . . . . 14 TYR HE1 . 11340 1
103 . 1 1 14 14 TYR HE2 H 1 6.802 0.030 . 1 . . . . 14 TYR HE2 . 11340 1
104 . 1 1 14 14 TYR C C 13 175.300 0.300 . 1 . . . . 14 TYR C . 11340 1
105 . 1 1 14 14 TYR CA C 13 57.661 0.300 . 1 . . . . 14 TYR CA . 11340 1
106 . 1 1 14 14 TYR CB C 13 39.024 0.300 . 1 . . . . 14 TYR CB . 11340 1
107 . 1 1 14 14 TYR CD1 C 13 133.270 0.300 . 1 . . . . 14 TYR CD1 . 11340 1
108 . 1 1 14 14 TYR CD2 C 13 133.270 0.300 . 1 . . . . 14 TYR CD2 . 11340 1
109 . 1 1 14 14 TYR CE1 C 13 118.225 0.300 . 1 . . . . 14 TYR CE1 . 11340 1
110 . 1 1 14 14 TYR CE2 C 13 118.225 0.300 . 1 . . . . 14 TYR CE2 . 11340 1
111 . 1 1 14 14 TYR N N 15 119.632 0.300 . 1 . . . . 14 TYR N . 11340 1
112 . 1 1 15 15 ASP H H 1 8.392 0.030 . 1 . . . . 15 ASP H . 11340 1
113 . 1 1 15 15 ASP HA H 1 4.590 0.030 . 1 . . . . 15 ASP HA . 11340 1
114 . 1 1 15 15 ASP HB2 H 1 2.536 0.030 . 2 . . . . 15 ASP HB2 . 11340 1
115 . 1 1 15 15 ASP HB3 H 1 2.664 0.030 . 2 . . . . 15 ASP HB3 . 11340 1
116 . 1 1 15 15 ASP C C 13 175.893 0.300 . 1 . . . . 15 ASP C . 11340 1
117 . 1 1 15 15 ASP CA C 13 54.136 0.300 . 1 . . . . 15 ASP CA . 11340 1
118 . 1 1 15 15 ASP CB C 13 41.365 0.300 . 1 . . . . 15 ASP CB . 11340 1
119 . 1 1 15 15 ASP N N 15 122.397 0.300 . 1 . . . . 15 ASP N . 11340 1
120 . 1 1 16 16 VAL H H 1 7.945 0.030 . 1 . . . . 16 VAL H . 11340 1
121 . 1 1 16 16 VAL HA H 1 4.054 0.030 . 1 . . . . 16 VAL HA . 11340 1
122 . 1 1 16 16 VAL HB H 1 2.033 0.030 . 1 . . . . 16 VAL HB . 11340 1
123 . 1 1 16 16 VAL HG11 H 1 0.861 0.030 . 1 . . . . 16 VAL HG1 . 11340 1
124 . 1 1 16 16 VAL HG12 H 1 0.861 0.030 . 1 . . . . 16 VAL HG1 . 11340 1
125 . 1 1 16 16 VAL HG13 H 1 0.861 0.030 . 1 . . . . 16 VAL HG1 . 11340 1
126 . 1 1 16 16 VAL HG21 H 1 0.883 0.030 . 1 . . . . 16 VAL HG2 . 11340 1
127 . 1 1 16 16 VAL HG22 H 1 0.883 0.030 . 1 . . . . 16 VAL HG2 . 11340 1
128 . 1 1 16 16 VAL HG23 H 1 0.883 0.030 . 1 . . . . 16 VAL HG2 . 11340 1
129 . 1 1 16 16 VAL C C 13 175.964 0.300 . 1 . . . . 16 VAL C . 11340 1
130 . 1 1 16 16 VAL CA C 13 62.248 0.300 . 1 . . . . 16 VAL CA . 11340 1
131 . 1 1 16 16 VAL CB C 13 32.867 0.300 . 1 . . . . 16 VAL CB . 11340 1
132 . 1 1 16 16 VAL CG1 C 13 21.314 0.300 . 2 . . . . 16 VAL CG1 . 11340 1
133 . 1 1 16 16 VAL CG2 C 13 20.387 0.300 . 2 . . . . 16 VAL CG2 . 11340 1
134 . 1 1 16 16 VAL N N 15 119.810 0.300 . 1 . . . . 16 VAL N . 11340 1
135 . 1 1 17 17 GLU H H 1 8.369 0.030 . 1 . . . . 17 GLU H . 11340 1
136 . 1 1 17 17 GLU HA H 1 4.202 0.030 . 1 . . . . 17 GLU HA . 11340 1
137 . 1 1 17 17 GLU HB2 H 1 1.843 0.030 . 2 . . . . 17 GLU HB2 . 11340 1
138 . 1 1 17 17 GLU HB3 H 1 1.904 0.030 . 2 . . . . 17 GLU HB3 . 11340 1
139 . 1 1 17 17 GLU HG2 H 1 2.185 0.030 . 2 . . . . 17 GLU HG2 . 11340 1
140 . 1 1 17 17 GLU HG3 H 1 2.068 0.030 . 2 . . . . 17 GLU HG3 . 11340 1
141 . 1 1 17 17 GLU C C 13 175.929 0.300 . 1 . . . . 17 GLU C . 11340 1
142 . 1 1 17 17 GLU CA C 13 56.543 0.300 . 1 . . . . 17 GLU CA . 11340 1
143 . 1 1 17 17 GLU CB C 13 30.323 0.300 . 1 . . . . 17 GLU CB . 11340 1
144 . 1 1 17 17 GLU CG C 13 36.210 0.300 . 1 . . . . 17 GLU CG . 11340 1
145 . 1 1 17 17 GLU N N 15 123.714 0.300 . 1 . . . . 17 GLU N . 11340 1
146 . 1 1 18 18 PHE H H 1 8.099 0.030 . 1 . . . . 18 PHE H . 11340 1
147 . 1 1 18 18 PHE HA H 1 4.608 0.030 . 1 . . . . 18 PHE HA . 11340 1
148 . 1 1 18 18 PHE HB2 H 1 2.967 0.030 . 2 . . . . 18 PHE HB2 . 11340 1
149 . 1 1 18 18 PHE HB3 H 1 3.109 0.030 . 2 . . . . 18 PHE HB3 . 11340 1
150 . 1 1 18 18 PHE HD1 H 1 7.228 0.030 . 1 . . . . 18 PHE HD1 . 11340 1
151 . 1 1 18 18 PHE HD2 H 1 7.228 0.030 . 1 . . . . 18 PHE HD2 . 11340 1
152 . 1 1 18 18 PHE HE1 H 1 7.312 0.030 . 1 . . . . 18 PHE HE1 . 11340 1
153 . 1 1 18 18 PHE HE2 H 1 7.312 0.030 . 1 . . . . 18 PHE HE2 . 11340 1
154 . 1 1 18 18 PHE HZ H 1 7.250 0.030 . 1 . . . . 18 PHE HZ . 11340 1
155 . 1 1 18 18 PHE C C 13 174.835 0.300 . 1 . . . . 18 PHE C . 11340 1
156 . 1 1 18 18 PHE CA C 13 57.391 0.300 . 1 . . . . 18 PHE CA . 11340 1
157 . 1 1 18 18 PHE CB C 13 40.064 0.300 . 1 . . . . 18 PHE CB . 11340 1
158 . 1 1 18 18 PHE CD1 C 13 131.924 0.300 . 1 . . . . 18 PHE CD1 . 11340 1
159 . 1 1 18 18 PHE CD2 C 13 131.924 0.300 . 1 . . . . 18 PHE CD2 . 11340 1
160 . 1 1 18 18 PHE CE1 C 13 131.630 0.300 . 1 . . . . 18 PHE CE1 . 11340 1
161 . 1 1 18 18 PHE CE2 C 13 131.630 0.300 . 1 . . . . 18 PHE CE2 . 11340 1
162 . 1 1 18 18 PHE CZ C 13 129.735 0.300 . 1 . . . . 18 PHE CZ . 11340 1
163 . 1 1 18 18 PHE N N 15 121.046 0.300 . 1 . . . . 18 PHE N . 11340 1
164 . 1 1 19 19 ASP H H 1 8.303 0.030 . 1 . . . . 19 ASP H . 11340 1
165 . 1 1 19 19 ASP HA H 1 4.864 0.030 . 1 . . . . 19 ASP HA . 11340 1
166 . 1 1 19 19 ASP HB2 H 1 2.400 0.030 . 2 . . . . 19 ASP HB2 . 11340 1
167 . 1 1 19 19 ASP HB3 H 1 2.645 0.030 . 2 . . . . 19 ASP HB3 . 11340 1
168 . 1 1 19 19 ASP C C 13 173.114 0.300 . 1 . . . . 19 ASP C . 11340 1
169 . 1 1 19 19 ASP CA C 13 52.316 0.300 . 1 . . . . 19 ASP CA . 11340 1
170 . 1 1 19 19 ASP CB C 13 40.734 0.300 . 1 . . . . 19 ASP CB . 11340 1
171 . 1 1 19 19 ASP N N 15 123.899 0.300 . 1 . . . . 19 ASP N . 11340 1
172 . 1 1 20 20 PRO HA H 1 4.555 0.030 . 1 . . . . 20 PRO HA . 11340 1
173 . 1 1 20 20 PRO HB2 H 1 2.283 0.030 . 2 . . . . 20 PRO HB2 . 11340 1
174 . 1 1 20 20 PRO HB3 H 1 1.870 0.030 . 2 . . . . 20 PRO HB3 . 11340 1
175 . 1 1 20 20 PRO HD2 H 1 3.642 0.030 . 1 . . . . 20 PRO HD2 . 11340 1
176 . 1 1 20 20 PRO HD3 H 1 3.642 0.030 . 1 . . . . 20 PRO HD3 . 11340 1
177 . 1 1 20 20 PRO HG2 H 1 2.007 0.030 . 1 . . . . 20 PRO HG2 . 11340 1
178 . 1 1 20 20 PRO HG3 H 1 2.007 0.030 . 1 . . . . 20 PRO HG3 . 11340 1
179 . 1 1 20 20 PRO CA C 13 61.447 0.300 . 1 . . . . 20 PRO CA . 11340 1
180 . 1 1 20 20 PRO CB C 13 30.897 0.300 . 1 . . . . 20 PRO CB . 11340 1
181 . 1 1 20 20 PRO CD C 13 50.530 0.300 . 1 . . . . 20 PRO CD . 11340 1
182 . 1 1 20 20 PRO CG C 13 27.448 0.300 . 1 . . . . 20 PRO CG . 11340 1
183 . 1 1 21 21 PRO HA H 1 4.408 0.030 . 1 . . . . 21 PRO HA . 11340 1
184 . 1 1 21 21 PRO HB2 H 1 1.907 0.030 . 2 . . . . 21 PRO HB2 . 11340 1
185 . 1 1 21 21 PRO HB3 H 1 2.265 0.030 . 2 . . . . 21 PRO HB3 . 11340 1
186 . 1 1 21 21 PRO HD2 H 1 3.640 0.030 . 2 . . . . 21 PRO HD2 . 11340 1
187 . 1 1 21 21 PRO HD3 H 1 3.794 0.030 . 2 . . . . 21 PRO HD3 . 11340 1
188 . 1 1 21 21 PRO HG2 H 1 2.017 0.030 . 1 . . . . 21 PRO HG2 . 11340 1
189 . 1 1 21 21 PRO HG3 H 1 2.017 0.030 . 1 . . . . 21 PRO HG3 . 11340 1
190 . 1 1 21 21 PRO C C 13 177.044 0.300 . 1 . . . . 21 PRO C . 11340 1
191 . 1 1 21 21 PRO CA C 13 62.723 0.300 . 1 . . . . 21 PRO CA . 11340 1
192 . 1 1 21 21 PRO CB C 13 31.990 0.300 . 1 . . . . 21 PRO CB . 11340 1
193 . 1 1 21 21 PRO CD C 13 50.454 0.300 . 1 . . . . 21 PRO CD . 11340 1
194 . 1 1 21 21 PRO CG C 13 27.576 0.300 . 1 . . . . 21 PRO CG . 11340 1
195 . 1 1 22 22 LEU H H 1 8.368 0.030 . 1 . . . . 22 LEU H . 11340 1
196 . 1 1 22 22 LEU HA H 1 4.260 0.030 . 1 . . . . 22 LEU HA . 11340 1
197 . 1 1 22 22 LEU HB2 H 1 1.551 0.030 . 2 . . . . 22 LEU HB2 . 11340 1
198 . 1 1 22 22 LEU HB3 H 1 1.618 0.030 . 2 . . . . 22 LEU HB3 . 11340 1
199 . 1 1 22 22 LEU HD11 H 1 0.909 0.030 . 1 . . . . 22 LEU HD1 . 11340 1
200 . 1 1 22 22 LEU HD12 H 1 0.909 0.030 . 1 . . . . 22 LEU HD1 . 11340 1
201 . 1 1 22 22 LEU HD13 H 1 0.909 0.030 . 1 . . . . 22 LEU HD1 . 11340 1
202 . 1 1 22 22 LEU HD21 H 1 0.861 0.030 . 1 . . . . 22 LEU HD2 . 11340 1
203 . 1 1 22 22 LEU HD22 H 1 0.861 0.030 . 1 . . . . 22 LEU HD2 . 11340 1
204 . 1 1 22 22 LEU HD23 H 1 0.861 0.030 . 1 . . . . 22 LEU HD2 . 11340 1
205 . 1 1 22 22 LEU HG H 1 1.644 0.030 . 1 . . . . 22 LEU HG . 11340 1
206 . 1 1 22 22 LEU C C 13 177.689 0.300 . 1 . . . . 22 LEU C . 11340 1
207 . 1 1 22 22 LEU CA C 13 55.489 0.300 . 1 . . . . 22 LEU CA . 11340 1
208 . 1 1 22 22 LEU CB C 13 42.467 0.300 . 1 . . . . 22 LEU CB . 11340 1
209 . 1 1 22 22 LEU CD1 C 13 24.809 0.300 . 2 . . . . 22 LEU CD1 . 11340 1
210 . 1 1 22 22 LEU CD2 C 13 23.793 0.300 . 2 . . . . 22 LEU CD2 . 11340 1
211 . 1 1 22 22 LEU CG C 13 27.043 0.300 . 1 . . . . 22 LEU CG . 11340 1
212 . 1 1 22 22 LEU N N 15 123.038 0.300 . 1 . . . . 22 LEU N . 11340 1
213 . 1 1 23 23 GLU H H 1 8.484 0.030 . 1 . . . . 23 GLU H . 11340 1
214 . 1 1 23 23 GLU HA H 1 4.256 0.030 . 1 . . . . 23 GLU HA . 11340 1
215 . 1 1 23 23 GLU HB2 H 1 1.939 0.030 . 2 . . . . 23 GLU HB2 . 11340 1
216 . 1 1 23 23 GLU HB3 H 1 2.031 0.030 . 2 . . . . 23 GLU HB3 . 11340 1
217 . 1 1 23 23 GLU HG2 H 1 2.241 0.030 . 1 . . . . 23 GLU HG2 . 11340 1
218 . 1 1 23 23 GLU HG3 H 1 2.241 0.030 . 1 . . . . 23 GLU HG3 . 11340 1
219 . 1 1 23 23 GLU C C 13 176.523 0.300 . 1 . . . . 23 GLU C . 11340 1
220 . 1 1 23 23 GLU CA C 13 56.670 0.300 . 1 . . . . 23 GLU CA . 11340 1
221 . 1 1 23 23 GLU CB C 13 30.367 0.300 . 1 . . . . 23 GLU CB . 11340 1
222 . 1 1 23 23 GLU CG C 13 36.293 0.300 . 1 . . . . 23 GLU CG . 11340 1
223 . 1 1 23 23 GLU N N 15 121.485 0.300 . 1 . . . . 23 GLU N . 11340 1
224 . 1 1 24 24 SER H H 1 8.299 0.030 . 1 . . . . 24 SER H . 11340 1
225 . 1 1 24 24 SER HA H 1 4.341 0.030 . 1 . . . . 24 SER HA . 11340 1
226 . 1 1 24 24 SER HB2 H 1 3.814 0.030 . 2 . . . . 24 SER HB2 . 11340 1
227 . 1 1 24 24 SER HB3 H 1 3.774 0.030 . 2 . . . . 24 SER HB3 . 11340 1
228 . 1 1 24 24 SER C C 13 174.489 0.300 . 1 . . . . 24 SER C . 11340 1
229 . 1 1 24 24 SER CA C 13 58.643 0.300 . 1 . . . . 24 SER CA . 11340 1
230 . 1 1 24 24 SER CB C 13 63.711 0.300 . 1 . . . . 24 SER CB . 11340 1
231 . 1 1 24 24 SER N N 15 117.101 0.300 . 1 . . . . 24 SER N . 11340 1
232 . 1 1 25 25 LYS H H 1 8.168 0.030 . 1 . . . . 25 LYS H . 11340 1
233 . 1 1 25 25 LYS HA H 1 4.248 0.030 . 1 . . . . 25 LYS HA . 11340 1
234 . 1 1 25 25 LYS HB2 H 1 1.639 0.030 . 2 . . . . 25 LYS HB2 . 11340 1
235 . 1 1 25 25 LYS HB3 H 1 1.605 0.030 . 2 . . . . 25 LYS HB3 . 11340 1
236 . 1 1 25 25 LYS HD2 H 1 1.569 0.030 . 1 . . . . 25 LYS HD2 . 11340 1
237 . 1 1 25 25 LYS HD3 H 1 1.569 0.030 . 1 . . . . 25 LYS HD3 . 11340 1
238 . 1 1 25 25 LYS HE2 H 1 2.877 0.030 . 1 . . . . 25 LYS HE2 . 11340 1
239 . 1 1 25 25 LYS HE3 H 1 2.877 0.030 . 1 . . . . 25 LYS HE3 . 11340 1
240 . 1 1 25 25 LYS HG2 H 1 1.194 0.030 . 1 . . . . 25 LYS HG2 . 11340 1
241 . 1 1 25 25 LYS HG3 H 1 1.194 0.030 . 1 . . . . 25 LYS HG3 . 11340 1
242 . 1 1 25 25 LYS C C 13 175.942 0.300 . 1 . . . . 25 LYS C . 11340 1
243 . 1 1 25 25 LYS CA C 13 56.289 0.300 . 1 . . . . 25 LYS CA . 11340 1
244 . 1 1 25 25 LYS CB C 13 32.683 0.300 . 1 . . . . 25 LYS CB . 11340 1
245 . 1 1 25 25 LYS CD C 13 28.932 0.300 . 1 . . . . 25 LYS CD . 11340 1
246 . 1 1 25 25 LYS CE C 13 42.089 0.300 . 1 . . . . 25 LYS CE . 11340 1
247 . 1 1 25 25 LYS CG C 13 24.619 0.300 . 1 . . . . 25 LYS CG . 11340 1
248 . 1 1 25 25 LYS N N 15 122.447 0.300 . 1 . . . . 25 LYS N . 11340 1
249 . 1 1 26 26 TYR H H 1 8.160 0.030 . 1 . . . . 26 TYR H . 11340 1
250 . 1 1 26 26 TYR HA H 1 4.560 0.030 . 1 . . . . 26 TYR HA . 11340 1
251 . 1 1 26 26 TYR HB2 H 1 2.769 0.030 . 2 . . . . 26 TYR HB2 . 11340 1
252 . 1 1 26 26 TYR HB3 H 1 3.131 0.030 . 2 . . . . 26 TYR HB3 . 11340 1
253 . 1 1 26 26 TYR HD1 H 1 7.067 0.030 . 1 . . . . 26 TYR HD1 . 11340 1
254 . 1 1 26 26 TYR HD2 H 1 7.067 0.030 . 1 . . . . 26 TYR HD2 . 11340 1
255 . 1 1 26 26 TYR HE1 H 1 6.767 0.030 . 1 . . . . 26 TYR HE1 . 11340 1
256 . 1 1 26 26 TYR HE2 H 1 6.767 0.030 . 1 . . . . 26 TYR HE2 . 11340 1
257 . 1 1 26 26 TYR C C 13 174.675 0.300 . 1 . . . . 26 TYR C . 11340 1
258 . 1 1 26 26 TYR CA C 13 57.486 0.300 . 1 . . . . 26 TYR CA . 11340 1
259 . 1 1 26 26 TYR CB C 13 38.941 0.300 . 1 . . . . 26 TYR CB . 11340 1
260 . 1 1 26 26 TYR CD1 C 13 133.247 0.300 . 1 . . . . 26 TYR CD1 . 11340 1
261 . 1 1 26 26 TYR CD2 C 13 133.247 0.300 . 1 . . . . 26 TYR CD2 . 11340 1
262 . 1 1 26 26 TYR CE1 C 13 118.197 0.300 . 1 . . . . 26 TYR CE1 . 11340 1
263 . 1 1 26 26 TYR CE2 C 13 118.197 0.300 . 1 . . . . 26 TYR CE2 . 11340 1
264 . 1 1 26 26 TYR N N 15 121.080 0.300 . 1 . . . . 26 TYR N . 11340 1
265 . 1 1 27 27 GLU H H 1 7.898 0.030 . 1 . . . . 27 GLU H . 11340 1
266 . 1 1 27 27 GLU HA H 1 4.413 0.030 . 1 . . . . 27 GLU HA . 11340 1
267 . 1 1 27 27 GLU HB2 H 1 1.674 0.030 . 2 . . . . 27 GLU HB2 . 11340 1
268 . 1 1 27 27 GLU HB3 H 1 1.601 0.030 . 2 . . . . 27 GLU HB3 . 11340 1
269 . 1 1 27 27 GLU HG2 H 1 1.895 0.030 . 1 . . . . 27 GLU HG2 . 11340 1
270 . 1 1 27 27 GLU HG3 H 1 1.895 0.030 . 1 . . . . 27 GLU HG3 . 11340 1
271 . 1 1 27 27 GLU C C 13 175.028 0.300 . 1 . . . . 27 GLU C . 11340 1
272 . 1 1 27 27 GLU CA C 13 54.894 0.300 . 1 . . . . 27 GLU CA . 11340 1
273 . 1 1 27 27 GLU CB C 13 32.551 0.300 . 1 . . . . 27 GLU CB . 11340 1
274 . 1 1 27 27 GLU CG C 13 36.622 0.300 . 1 . . . . 27 GLU CG . 11340 1
275 . 1 1 27 27 GLU N N 15 121.535 0.300 . 1 . . . . 27 GLU N . 11340 1
276 . 1 1 28 28 CYS H H 1 8.792 0.030 . 1 . . . . 28 CYS H . 11340 1
277 . 1 1 28 28 CYS HA H 1 4.677 0.030 . 1 . . . . 28 CYS HA . 11340 1
278 . 1 1 28 28 CYS HB2 H 1 3.187 0.030 . 2 . . . . 28 CYS HB2 . 11340 1
279 . 1 1 28 28 CYS HB3 H 1 3.770 0.030 . 2 . . . . 28 CYS HB3 . 11340 1
280 . 1 1 28 28 CYS C C 13 176.288 0.300 . 1 . . . . 28 CYS C . 11340 1
281 . 1 1 28 28 CYS CA C 13 56.993 0.300 . 1 . . . . 28 CYS CA . 11340 1
282 . 1 1 28 28 CYS CB C 13 33.812 0.300 . 1 . . . . 28 CYS CB . 11340 1
283 . 1 1 28 28 CYS N N 15 128.731 0.300 . 1 . . . . 28 CYS N . 11340 1
284 . 1 1 29 29 PRO HA H 1 4.507 0.030 . 1 . . . . 29 PRO HA . 11340 1
285 . 1 1 29 29 PRO HB2 H 1 1.805 0.030 . 2 . . . . 29 PRO HB2 . 11340 1
286 . 1 1 29 29 PRO HB3 H 1 2.411 0.030 . 2 . . . . 29 PRO HB3 . 11340 1
287 . 1 1 29 29 PRO HD2 H 1 4.037 0.030 . 2 . . . . 29 PRO HD2 . 11340 1
288 . 1 1 29 29 PRO HD3 H 1 4.269 0.030 . 2 . . . . 29 PRO HD3 . 11340 1
289 . 1 1 29 29 PRO HG2 H 1 1.636 0.030 . 2 . . . . 29 PRO HG2 . 11340 1
290 . 1 1 29 29 PRO HG3 H 1 1.893 0.030 . 2 . . . . 29 PRO HG3 . 11340 1
291 . 1 1 29 29 PRO C C 13 176.983 0.300 . 1 . . . . 29 PRO C . 11340 1
292 . 1 1 29 29 PRO CA C 13 64.208 0.300 . 1 . . . . 29 PRO CA . 11340 1
293 . 1 1 29 29 PRO CB C 13 32.889 0.300 . 1 . . . . 29 PRO CB . 11340 1
294 . 1 1 29 29 PRO CD C 13 52.065 0.300 . 1 . . . . 29 PRO CD . 11340 1
295 . 1 1 29 29 PRO CG C 13 27.263 0.300 . 1 . . . . 29 PRO CG . 11340 1
296 . 1 1 30 30 ILE H H 1 9.082 0.030 . 1 . . . . 30 ILE H . 11340 1
297 . 1 1 30 30 ILE HA H 1 4.068 0.030 . 1 . . . . 30 ILE HA . 11340 1
298 . 1 1 30 30 ILE HB H 1 2.010 0.030 . 1 . . . . 30 ILE HB . 11340 1
299 . 1 1 30 30 ILE HD11 H 1 0.541 0.030 . 1 . . . . 30 ILE HD1 . 11340 1
300 . 1 1 30 30 ILE HD12 H 1 0.541 0.030 . 1 . . . . 30 ILE HD1 . 11340 1
301 . 1 1 30 30 ILE HD13 H 1 0.541 0.030 . 1 . . . . 30 ILE HD1 . 11340 1
302 . 1 1 30 30 ILE HG12 H 1 1.766 0.030 . 2 . . . . 30 ILE HG12 . 11340 1
303 . 1 1 30 30 ILE HG13 H 1 1.051 0.030 . 2 . . . . 30 ILE HG13 . 11340 1
304 . 1 1 30 30 ILE HG21 H 1 0.959 0.030 . 1 . . . . 30 ILE HG2 . 11340 1
305 . 1 1 30 30 ILE HG22 H 1 0.959 0.030 . 1 . . . . 30 ILE HG2 . 11340 1
306 . 1 1 30 30 ILE HG23 H 1 0.959 0.030 . 1 . . . . 30 ILE HG2 . 11340 1
307 . 1 1 30 30 ILE C C 13 176.375 0.300 . 1 . . . . 30 ILE C . 11340 1
308 . 1 1 30 30 ILE CA C 13 64.245 0.300 . 1 . . . . 30 ILE CA . 11340 1
309 . 1 1 30 30 ILE CB C 13 38.830 0.300 . 1 . . . . 30 ILE CB . 11340 1
310 . 1 1 30 30 ILE CD1 C 13 14.561 0.300 . 1 . . . . 30 ILE CD1 . 11340 1
311 . 1 1 30 30 ILE CG1 C 13 27.909 0.300 . 1 . . . . 30 ILE CG1 . 11340 1
312 . 1 1 30 30 ILE CG2 C 13 16.632 0.300 . 1 . . . . 30 ILE CG2 . 11340 1
313 . 1 1 30 30 ILE N N 15 119.000 0.300 . 1 . . . . 30 ILE N . 11340 1
314 . 1 1 31 31 CYS H H 1 8.233 0.030 . 1 . . . . 31 CYS H . 11340 1
315 . 1 1 31 31 CYS HA H 1 4.691 0.030 . 1 . . . . 31 CYS HA . 11340 1
316 . 1 1 31 31 CYS HB2 H 1 3.135 0.030 . 1 . . . . 31 CYS HB2 . 11340 1
317 . 1 1 31 31 CYS HB3 H 1 3.135 0.030 . 1 . . . . 31 CYS HB3 . 11340 1
318 . 1 1 31 31 CYS C C 13 175.923 0.300 . 1 . . . . 31 CYS C . 11340 1
319 . 1 1 31 31 CYS CA C 13 59.154 0.300 . 1 . . . . 31 CYS CA . 11340 1
320 . 1 1 31 31 CYS CB C 13 31.769 0.300 . 1 . . . . 31 CYS CB . 11340 1
321 . 1 1 31 31 CYS N N 15 118.446 0.300 . 1 . . . . 31 CYS N . 11340 1
322 . 1 1 32 32 LEU H H 1 8.186 0.030 . 1 . . . . 32 LEU H . 11340 1
323 . 1 1 32 32 LEU HA H 1 4.118 0.030 . 1 . . . . 32 LEU HA . 11340 1
324 . 1 1 32 32 LEU HB2 H 1 1.594 0.030 . 2 . . . . 32 LEU HB2 . 11340 1
325 . 1 1 32 32 LEU HB3 H 1 2.088 0.030 . 2 . . . . 32 LEU HB3 . 11340 1
326 . 1 1 32 32 LEU HD11 H 1 0.860 0.030 . 1 . . . . 32 LEU HD1 . 11340 1
327 . 1 1 32 32 LEU HD12 H 1 0.860 0.030 . 1 . . . . 32 LEU HD1 . 11340 1
328 . 1 1 32 32 LEU HD13 H 1 0.860 0.030 . 1 . . . . 32 LEU HD1 . 11340 1
329 . 1 1 32 32 LEU HD21 H 1 0.795 0.030 . 1 . . . . 32 LEU HD2 . 11340 1
330 . 1 1 32 32 LEU HD22 H 1 0.795 0.030 . 1 . . . . 32 LEU HD2 . 11340 1
331 . 1 1 32 32 LEU HD23 H 1 0.795 0.030 . 1 . . . . 32 LEU HD2 . 11340 1
332 . 1 1 32 32 LEU HG H 1 1.360 0.030 . 1 . . . . 32 LEU HG . 11340 1
333 . 1 1 32 32 LEU C C 13 175.787 0.300 . 1 . . . . 32 LEU C . 11340 1
334 . 1 1 32 32 LEU CA C 13 56.435 0.300 . 1 . . . . 32 LEU CA . 11340 1
335 . 1 1 32 32 LEU CB C 13 38.092 0.300 . 1 . . . . 32 LEU CB . 11340 1
336 . 1 1 32 32 LEU CD1 C 13 25.496 0.300 . 2 . . . . 32 LEU CD1 . 11340 1
337 . 1 1 32 32 LEU CD2 C 13 22.705 0.300 . 2 . . . . 32 LEU CD2 . 11340 1
338 . 1 1 32 32 LEU CG C 13 27.124 0.300 . 1 . . . . 32 LEU CG . 11340 1
339 . 1 1 32 32 LEU N N 15 118.617 0.300 . 1 . . . . 32 LEU N . 11340 1
340 . 1 1 33 33 MET H H 1 8.234 0.030 . 1 . . . . 33 MET H . 11340 1
341 . 1 1 33 33 MET HA H 1 4.771 0.030 . 1 . . . . 33 MET HA . 11340 1
342 . 1 1 33 33 MET HB2 H 1 2.117 0.030 . 2 . . . . 33 MET HB2 . 11340 1
343 . 1 1 33 33 MET HB3 H 1 2.477 0.030 . 2 . . . . 33 MET HB3 . 11340 1
344 . 1 1 33 33 MET HE1 H 1 2.144 0.030 . 1 . . . . 33 MET HE . 11340 1
345 . 1 1 33 33 MET HE2 H 1 2.144 0.030 . 1 . . . . 33 MET HE . 11340 1
346 . 1 1 33 33 MET HE3 H 1 2.144 0.030 . 1 . . . . 33 MET HE . 11340 1
347 . 1 1 33 33 MET HG2 H 1 2.654 0.030 . 2 . . . . 33 MET HG2 . 11340 1
348 . 1 1 33 33 MET HG3 H 1 2.526 0.030 . 2 . . . . 33 MET HG3 . 11340 1
349 . 1 1 33 33 MET C C 13 174.839 0.300 . 1 . . . . 33 MET C . 11340 1
350 . 1 1 33 33 MET CA C 13 53.721 0.300 . 1 . . . . 33 MET CA . 11340 1
351 . 1 1 33 33 MET CB C 13 35.738 0.300 . 1 . . . . 33 MET CB . 11340 1
352 . 1 1 33 33 MET CE C 13 17.251 0.300 . 1 . . . . 33 MET CE . 11340 1
353 . 1 1 33 33 MET CG C 13 32.549 0.300 . 1 . . . . 33 MET CG . 11340 1
354 . 1 1 33 33 MET N N 15 118.936 0.300 . 1 . . . . 33 MET N . 11340 1
355 . 1 1 34 34 ALA H H 1 8.003 0.030 . 1 . . . . 34 ALA H . 11340 1
356 . 1 1 34 34 ALA HA H 1 4.312 0.030 . 1 . . . . 34 ALA HA . 11340 1
357 . 1 1 34 34 ALA HB1 H 1 1.380 0.030 . 1 . . . . 34 ALA HB . 11340 1
358 . 1 1 34 34 ALA HB2 H 1 1.380 0.030 . 1 . . . . 34 ALA HB . 11340 1
359 . 1 1 34 34 ALA HB3 H 1 1.380 0.030 . 1 . . . . 34 ALA HB . 11340 1
360 . 1 1 34 34 ALA C C 13 177.546 0.300 . 1 . . . . 34 ALA C . 11340 1
361 . 1 1 34 34 ALA CA C 13 52.792 0.300 . 1 . . . . 34 ALA CA . 11340 1
362 . 1 1 34 34 ALA CB C 13 18.608 0.300 . 1 . . . . 34 ALA CB . 11340 1
363 . 1 1 34 34 ALA N N 15 121.328 0.300 . 1 . . . . 34 ALA N . 11340 1
364 . 1 1 35 35 LEU H H 1 7.722 0.030 . 1 . . . . 35 LEU H . 11340 1
365 . 1 1 35 35 LEU HA H 1 4.418 0.030 . 1 . . . . 35 LEU HA . 11340 1
366 . 1 1 35 35 LEU HB2 H 1 1.080 0.030 . 2 . . . . 35 LEU HB2 . 11340 1
367 . 1 1 35 35 LEU HB3 H 1 1.707 0.030 . 2 . . . . 35 LEU HB3 . 11340 1
368 . 1 1 35 35 LEU HD11 H 1 0.678 0.030 . 1 . . . . 35 LEU HD1 . 11340 1
369 . 1 1 35 35 LEU HD12 H 1 0.678 0.030 . 1 . . . . 35 LEU HD1 . 11340 1
370 . 1 1 35 35 LEU HD13 H 1 0.678 0.030 . 1 . . . . 35 LEU HD1 . 11340 1
371 . 1 1 35 35 LEU HD21 H 1 0.841 0.030 . 1 . . . . 35 LEU HD2 . 11340 1
372 . 1 1 35 35 LEU HD22 H 1 0.841 0.030 . 1 . . . . 35 LEU HD2 . 11340 1
373 . 1 1 35 35 LEU HD23 H 1 0.841 0.030 . 1 . . . . 35 LEU HD2 . 11340 1
374 . 1 1 35 35 LEU HG H 1 1.479 0.030 . 1 . . . . 35 LEU HG . 11340 1
375 . 1 1 35 35 LEU C C 13 178.107 0.300 . 1 . . . . 35 LEU C . 11340 1
376 . 1 1 35 35 LEU CA C 13 56.128 0.300 . 1 . . . . 35 LEU CA . 11340 1
377 . 1 1 35 35 LEU CB C 13 44.078 0.300 . 1 . . . . 35 LEU CB . 11340 1
378 . 1 1 35 35 LEU CD1 C 13 26.581 0.300 . 2 . . . . 35 LEU CD1 . 11340 1
379 . 1 1 35 35 LEU CD2 C 13 24.148 0.300 . 2 . . . . 35 LEU CD2 . 11340 1
380 . 1 1 35 35 LEU CG C 13 27.517 0.300 . 1 . . . . 35 LEU CG . 11340 1
381 . 1 1 35 35 LEU N N 15 119.136 0.300 . 1 . . . . 35 LEU N . 11340 1
382 . 1 1 36 36 ARG H H 1 8.652 0.030 . 1 . . . . 36 ARG H . 11340 1
383 . 1 1 36 36 ARG HA H 1 4.560 0.030 . 1 . . . . 36 ARG HA . 11340 1
384 . 1 1 36 36 ARG HB2 H 1 1.867 0.030 . 2 . . . . 36 ARG HB2 . 11340 1
385 . 1 1 36 36 ARG HB3 H 1 2.011 0.030 . 2 . . . . 36 ARG HB3 . 11340 1
386 . 1 1 36 36 ARG HD2 H 1 3.331 0.030 . 2 . . . . 36 ARG HD2 . 11340 1
387 . 1 1 36 36 ARG HD3 H 1 3.232 0.030 . 2 . . . . 36 ARG HD3 . 11340 1
388 . 1 1 36 36 ARG HG2 H 1 1.669 0.030 . 2 . . . . 36 ARG HG2 . 11340 1
389 . 1 1 36 36 ARG HG3 H 1 1.868 0.030 . 2 . . . . 36 ARG HG3 . 11340 1
390 . 1 1 36 36 ARG C C 13 175.839 0.300 . 1 . . . . 36 ARG C . 11340 1
391 . 1 1 36 36 ARG CA C 13 55.186 0.300 . 1 . . . . 36 ARG CA . 11340 1
392 . 1 1 36 36 ARG CB C 13 31.795 0.300 . 1 . . . . 36 ARG CB . 11340 1
393 . 1 1 36 36 ARG CD C 13 43.602 0.300 . 1 . . . . 36 ARG CD . 11340 1
394 . 1 1 36 36 ARG CG C 13 26.670 0.300 . 1 . . . . 36 ARG CG . 11340 1
395 . 1 1 36 36 ARG N N 15 125.774 0.300 . 1 . . . . 36 ARG N . 11340 1
396 . 1 1 37 37 GLU H H 1 9.055 0.030 . 1 . . . . 37 GLU H . 11340 1
397 . 1 1 37 37 GLU HA H 1 3.844 0.030 . 1 . . . . 37 GLU HA . 11340 1
398 . 1 1 37 37 GLU HB2 H 1 2.099 0.030 . 2 . . . . 37 GLU HB2 . 11340 1
399 . 1 1 37 37 GLU HB3 H 1 2.279 0.030 . 2 . . . . 37 GLU HB3 . 11340 1
400 . 1 1 37 37 GLU HG2 H 1 2.286 0.030 . 2 . . . . 37 GLU HG2 . 11340 1
401 . 1 1 37 37 GLU HG3 H 1 2.227 0.030 . 2 . . . . 37 GLU HG3 . 11340 1
402 . 1 1 37 37 GLU C C 13 174.688 0.300 . 1 . . . . 37 GLU C . 11340 1
403 . 1 1 37 37 GLU CA C 13 56.788 0.300 . 1 . . . . 37 GLU CA . 11340 1
404 . 1 1 37 37 GLU CB C 13 27.905 0.300 . 1 . . . . 37 GLU CB . 11340 1
405 . 1 1 37 37 GLU CG C 13 37.071 0.300 . 1 . . . . 37 GLU CG . 11340 1
406 . 1 1 37 37 GLU N N 15 126.291 0.300 . 1 . . . . 37 GLU N . 11340 1
407 . 1 1 38 38 ALA H H 1 8.166 0.030 . 1 . . . . 38 ALA H . 11340 1
408 . 1 1 38 38 ALA HA H 1 4.430 0.030 . 1 . . . . 38 ALA HA . 11340 1
409 . 1 1 38 38 ALA HB1 H 1 1.301 0.030 . 1 . . . . 38 ALA HB . 11340 1
410 . 1 1 38 38 ALA HB2 H 1 1.301 0.030 . 1 . . . . 38 ALA HB . 11340 1
411 . 1 1 38 38 ALA HB3 H 1 1.301 0.030 . 1 . . . . 38 ALA HB . 11340 1
412 . 1 1 38 38 ALA C C 13 178.533 0.300 . 1 . . . . 38 ALA C . 11340 1
413 . 1 1 38 38 ALA CA C 13 52.998 0.300 . 1 . . . . 38 ALA CA . 11340 1
414 . 1 1 38 38 ALA CB C 13 21.330 0.300 . 1 . . . . 38 ALA CB . 11340 1
415 . 1 1 38 38 ALA N N 15 120.828 0.300 . 1 . . . . 38 ALA N . 11340 1
416 . 1 1 39 39 VAL H H 1 9.119 0.030 . 1 . . . . 39 VAL H . 11340 1
417 . 1 1 39 39 VAL HA H 1 4.791 0.030 . 1 . . . . 39 VAL HA . 11340 1
418 . 1 1 39 39 VAL HB H 1 1.999 0.030 . 1 . . . . 39 VAL HB . 11340 1
419 . 1 1 39 39 VAL HG11 H 1 0.969 0.030 . 1 . . . . 39 VAL HG1 . 11340 1
420 . 1 1 39 39 VAL HG12 H 1 0.969 0.030 . 1 . . . . 39 VAL HG1 . 11340 1
421 . 1 1 39 39 VAL HG13 H 1 0.969 0.030 . 1 . . . . 39 VAL HG1 . 11340 1
422 . 1 1 39 39 VAL HG21 H 1 0.907 0.030 . 1 . . . . 39 VAL HG2 . 11340 1
423 . 1 1 39 39 VAL HG22 H 1 0.907 0.030 . 1 . . . . 39 VAL HG2 . 11340 1
424 . 1 1 39 39 VAL HG23 H 1 0.907 0.030 . 1 . . . . 39 VAL HG2 . 11340 1
425 . 1 1 39 39 VAL C C 13 173.594 0.300 . 1 . . . . 39 VAL C . 11340 1
426 . 1 1 39 39 VAL CA C 13 59.296 0.300 . 1 . . . . 39 VAL CA . 11340 1
427 . 1 1 39 39 VAL CB C 13 35.350 0.300 . 1 . . . . 39 VAL CB . 11340 1
428 . 1 1 39 39 VAL CG1 C 13 20.608 0.300 . 2 . . . . 39 VAL CG1 . 11340 1
429 . 1 1 39 39 VAL CG2 C 13 21.773 0.300 . 2 . . . . 39 VAL CG2 . 11340 1
430 . 1 1 39 39 VAL N N 15 116.379 0.300 . 1 . . . . 39 VAL N . 11340 1
431 . 1 1 40 40 GLN H H 1 8.976 0.030 . 1 . . . . 40 GLN H . 11340 1
432 . 1 1 40 40 GLN HA H 1 5.548 0.030 . 1 . . . . 40 GLN HA . 11340 1
433 . 1 1 40 40 GLN HB2 H 1 1.765 0.030 . 2 . . . . 40 GLN HB2 . 11340 1
434 . 1 1 40 40 GLN HB3 H 1 1.865 0.030 . 2 . . . . 40 GLN HB3 . 11340 1
435 . 1 1 40 40 GLN HE21 H 1 6.766 0.030 . 2 . . . . 40 GLN HE21 . 11340 1
436 . 1 1 40 40 GLN HE22 H 1 7.536 0.030 . 2 . . . . 40 GLN HE22 . 11340 1
437 . 1 1 40 40 GLN HG2 H 1 2.029 0.030 . 2 . . . . 40 GLN HG2 . 11340 1
438 . 1 1 40 40 GLN HG3 H 1 2.452 0.030 . 2 . . . . 40 GLN HG3 . 11340 1
439 . 1 1 40 40 GLN C C 13 175.525 0.300 . 1 . . . . 40 GLN C . 11340 1
440 . 1 1 40 40 GLN CA C 13 53.334 0.300 . 1 . . . . 40 GLN CA . 11340 1
441 . 1 1 40 40 GLN CB C 13 32.305 0.300 . 1 . . . . 40 GLN CB . 11340 1
442 . 1 1 40 40 GLN CG C 13 34.247 0.300 . 1 . . . . 40 GLN CG . 11340 1
443 . 1 1 40 40 GLN N N 15 121.694 0.300 . 1 . . . . 40 GLN N . 11340 1
444 . 1 1 40 40 GLN NE2 N 15 111.504 0.300 . 1 . . . . 40 GLN NE2 . 11340 1
445 . 1 1 41 41 THR H H 1 8.766 0.030 . 1 . . . . 41 THR H . 11340 1
446 . 1 1 41 41 THR HA H 1 4.982 0.030 . 1 . . . . 41 THR HA . 11340 1
447 . 1 1 41 41 THR HB H 1 4.787 0.030 . 1 . . . . 41 THR HB . 11340 1
448 . 1 1 41 41 THR HG21 H 1 1.411 0.030 . 1 . . . . 41 THR HG2 . 11340 1
449 . 1 1 41 41 THR HG22 H 1 1.411 0.030 . 1 . . . . 41 THR HG2 . 11340 1
450 . 1 1 41 41 THR HG23 H 1 1.411 0.030 . 1 . . . . 41 THR HG2 . 11340 1
451 . 1 1 41 41 THR C C 13 176.083 0.300 . 1 . . . . 41 THR C . 11340 1
452 . 1 1 41 41 THR CA C 13 59.864 0.300 . 1 . . . . 41 THR CA . 11340 1
453 . 1 1 41 41 THR CB C 13 67.371 0.300 . 1 . . . . 41 THR CB . 11340 1
454 . 1 1 41 41 THR CG2 C 13 23.959 0.300 . 1 . . . . 41 THR CG2 . 11340 1
455 . 1 1 41 41 THR N N 15 113.725 0.300 . 1 . . . . 41 THR N . 11340 1
456 . 1 1 42 42 PRO HA H 1 4.456 0.030 . 1 . . . . 42 PRO HA . 11340 1
457 . 1 1 42 42 PRO HB2 H 1 2.135 0.030 . 2 . . . . 42 PRO HB2 . 11340 1
458 . 1 1 42 42 PRO HB3 H 1 2.523 0.030 . 2 . . . . 42 PRO HB3 . 11340 1
459 . 1 1 42 42 PRO HD2 H 1 4.096 0.030 . 2 . . . . 42 PRO HD2 . 11340 1
460 . 1 1 42 42 PRO HD3 H 1 3.982 0.030 . 2 . . . . 42 PRO HD3 . 11340 1
461 . 1 1 42 42 PRO HG2 H 1 2.164 0.030 . 2 . . . . 42 PRO HG2 . 11340 1
462 . 1 1 42 42 PRO HG3 H 1 2.311 0.030 . 2 . . . . 42 PRO HG3 . 11340 1
463 . 1 1 42 42 PRO C C 13 176.653 0.300 . 1 . . . . 42 PRO C . 11340 1
464 . 1 1 42 42 PRO CA C 13 65.653 0.300 . 1 . . . . 42 PRO CA . 11340 1
465 . 1 1 42 42 PRO CB C 13 31.695 0.300 . 1 . . . . 42 PRO CB . 11340 1
466 . 1 1 42 42 PRO CD C 13 51.087 0.300 . 1 . . . . 42 PRO CD . 11340 1
467 . 1 1 42 42 PRO CG C 13 28.582 0.300 . 1 . . . . 42 PRO CG . 11340 1
468 . 1 1 43 43 CYS H H 1 7.439 0.030 . 1 . . . . 43 CYS H . 11340 1
469 . 1 1 43 43 CYS HA H 1 4.558 0.030 . 1 . . . . 43 CYS HA . 11340 1
470 . 1 1 43 43 CYS HB2 H 1 2.880 0.030 . 2 . . . . 43 CYS HB2 . 11340 1
471 . 1 1 43 43 CYS HB3 H 1 3.393 0.030 . 2 . . . . 43 CYS HB3 . 11340 1
472 . 1 1 43 43 CYS C C 13 174.824 0.300 . 1 . . . . 43 CYS C . 11340 1
473 . 1 1 43 43 CYS CA C 13 56.799 0.300 . 1 . . . . 43 CYS CA . 11340 1
474 . 1 1 43 43 CYS CB C 13 28.503 0.300 . 1 . . . . 43 CYS CB . 11340 1
475 . 1 1 43 43 CYS N N 15 110.328 0.300 . 1 . . . . 43 CYS N . 11340 1
476 . 1 1 44 44 GLY H H 1 8.082 0.030 . 1 . . . . 44 GLY H . 11340 1
477 . 1 1 44 44 GLY HA2 H 1 3.960 0.030 . 2 . . . . 44 GLY HA2 . 11340 1
478 . 1 1 44 44 GLY HA3 H 1 3.633 0.030 . 2 . . . . 44 GLY HA3 . 11340 1
479 . 1 1 44 44 GLY C C 13 174.088 0.300 . 1 . . . . 44 GLY C . 11340 1
480 . 1 1 44 44 GLY CA C 13 45.610 0.300 . 1 . . . . 44 GLY CA . 11340 1
481 . 1 1 44 44 GLY N N 15 110.113 0.300 . 1 . . . . 44 GLY N . 11340 1
482 . 1 1 45 45 HIS H H 1 7.694 0.030 . 1 . . . . 45 HIS H . 11340 1
483 . 1 1 45 45 HIS HA H 1 4.502 0.030 . 1 . . . . 45 HIS HA . 11340 1
484 . 1 1 45 45 HIS HB2 H 1 2.623 0.030 . 2 . . . . 45 HIS HB2 . 11340 1
485 . 1 1 45 45 HIS HB3 H 1 2.902 0.030 . 2 . . . . 45 HIS HB3 . 11340 1
486 . 1 1 45 45 HIS HD2 H 1 7.228 0.030 . 1 . . . . 45 HIS HD2 . 11340 1
487 . 1 1 45 45 HIS HE1 H 1 8.061 0.030 . 1 . . . . 45 HIS HE1 . 11340 1
488 . 1 1 45 45 HIS C C 13 172.291 0.300 . 1 . . . . 45 HIS C . 11340 1
489 . 1 1 45 45 HIS CA C 13 59.477 0.300 . 1 . . . . 45 HIS CA . 11340 1
490 . 1 1 45 45 HIS CB C 13 33.575 0.300 . 1 . . . . 45 HIS CB . 11340 1
491 . 1 1 45 45 HIS CD2 C 13 118.314 0.300 . 1 . . . . 45 HIS CD2 . 11340 1
492 . 1 1 45 45 HIS CE1 C 13 139.172 0.300 . 1 . . . . 45 HIS CE1 . 11340 1
493 . 1 1 45 45 HIS N N 15 120.702 0.300 . 1 . . . . 45 HIS N . 11340 1
494 . 1 1 46 46 ARG H H 1 7.677 0.030 . 1 . . . . 46 ARG H . 11340 1
495 . 1 1 46 46 ARG HA H 1 5.477 0.030 . 1 . . . . 46 ARG HA . 11340 1
496 . 1 1 46 46 ARG HB2 H 1 1.446 0.030 . 1 . . . . 46 ARG HB2 . 11340 1
497 . 1 1 46 46 ARG HB3 H 1 1.446 0.030 . 1 . . . . 46 ARG HB3 . 11340 1
498 . 1 1 46 46 ARG HD2 H 1 2.868 0.030 . 1 . . . . 46 ARG HD2 . 11340 1
499 . 1 1 46 46 ARG HD3 H 1 2.868 0.030 . 1 . . . . 46 ARG HD3 . 11340 1
500 . 1 1 46 46 ARG HG2 H 1 1.323 0.030 . 2 . . . . 46 ARG HG2 . 11340 1
501 . 1 1 46 46 ARG HG3 H 1 1.446 0.030 . 2 . . . . 46 ARG HG3 . 11340 1
502 . 1 1 46 46 ARG C C 13 174.327 0.300 . 1 . . . . 46 ARG C . 11340 1
503 . 1 1 46 46 ARG CA C 13 54.505 0.300 . 1 . . . . 46 ARG CA . 11340 1
504 . 1 1 46 46 ARG CB C 13 33.656 0.300 . 1 . . . . 46 ARG CB . 11340 1
505 . 1 1 46 46 ARG CD C 13 43.582 0.300 . 1 . . . . 46 ARG CD . 11340 1
506 . 1 1 46 46 ARG CG C 13 27.666 0.300 . 1 . . . . 46 ARG CG . 11340 1
507 . 1 1 46 46 ARG N N 15 118.860 0.300 . 1 . . . . 46 ARG N . 11340 1
508 . 1 1 47 47 PHE H H 1 8.392 0.030 . 1 . . . . 47 PHE H . 11340 1
509 . 1 1 47 47 PHE HA H 1 5.283 0.030 . 1 . . . . 47 PHE HA . 11340 1
510 . 1 1 47 47 PHE HB2 H 1 2.258 0.030 . 2 . . . . 47 PHE HB2 . 11340 1
511 . 1 1 47 47 PHE HB3 H 1 3.305 0.030 . 2 . . . . 47 PHE HB3 . 11340 1
512 . 1 1 47 47 PHE HD1 H 1 7.098 0.030 . 1 . . . . 47 PHE HD1 . 11340 1
513 . 1 1 47 47 PHE HD2 H 1 7.098 0.030 . 1 . . . . 47 PHE HD2 . 11340 1
514 . 1 1 47 47 PHE HE1 H 1 7.234 0.030 . 1 . . . . 47 PHE HE1 . 11340 1
515 . 1 1 47 47 PHE HE2 H 1 7.234 0.030 . 1 . . . . 47 PHE HE2 . 11340 1
516 . 1 1 47 47 PHE HZ H 1 7.724 0.030 . 1 . . . . 47 PHE HZ . 11340 1
517 . 1 1 47 47 PHE C C 13 175.607 0.300 . 1 . . . . 47 PHE C . 11340 1
518 . 1 1 47 47 PHE CA C 13 55.335 0.300 . 1 . . . . 47 PHE CA . 11340 1
519 . 1 1 47 47 PHE CB C 13 46.653 0.300 . 1 . . . . 47 PHE CB . 11340 1
520 . 1 1 47 47 PHE CD1 C 13 132.492 0.300 . 1 . . . . 47 PHE CD1 . 11340 1
521 . 1 1 47 47 PHE CD2 C 13 132.492 0.300 . 1 . . . . 47 PHE CD2 . 11340 1
522 . 1 1 47 47 PHE CE1 C 13 130.378 0.300 . 1 . . . . 47 PHE CE1 . 11340 1
523 . 1 1 47 47 PHE CE2 C 13 130.378 0.300 . 1 . . . . 47 PHE CE2 . 11340 1
524 . 1 1 47 47 PHE CZ C 13 130.710 0.300 . 1 . . . . 47 PHE CZ . 11340 1
525 . 1 1 47 47 PHE N N 15 116.047 0.300 . 1 . . . . 47 PHE N . 11340 1
526 . 1 1 48 48 CYS H H 1 8.740 0.030 . 1 . . . . 48 CYS H . 11340 1
527 . 1 1 48 48 CYS HA H 1 4.335 0.030 . 1 . . . . 48 CYS HA . 11340 1
528 . 1 1 48 48 CYS HB2 H 1 3.450 0.030 . 2 . . . . 48 CYS HB2 . 11340 1
529 . 1 1 48 48 CYS HB3 H 1 3.691 0.030 . 2 . . . . 48 CYS HB3 . 11340 1
530 . 1 1 48 48 CYS C C 13 179.162 0.300 . 1 . . . . 48 CYS C . 11340 1
531 . 1 1 48 48 CYS CA C 13 60.266 0.300 . 1 . . . . 48 CYS CA . 11340 1
532 . 1 1 48 48 CYS CB C 13 31.308 0.300 . 1 . . . . 48 CYS CB . 11340 1
533 . 1 1 48 48 CYS N N 15 124.671 0.300 . 1 . . . . 48 CYS N . 11340 1
534 . 1 1 49 49 LYS H H 1 8.281 0.030 . 1 . . . . 49 LYS H . 11340 1
535 . 1 1 49 49 LYS HA H 1 3.858 0.030 . 1 . . . . 49 LYS HA . 11340 1
536 . 1 1 49 49 LYS HB2 H 1 1.878 0.030 . 2 . . . . 49 LYS HB2 . 11340 1
537 . 1 1 49 49 LYS HB3 H 1 2.448 0.030 . 2 . . . . 49 LYS HB3 . 11340 1
538 . 1 1 49 49 LYS HD2 H 1 1.643 0.030 . 1 . . . . 49 LYS HD2 . 11340 1
539 . 1 1 49 49 LYS HD3 H 1 1.643 0.030 . 1 . . . . 49 LYS HD3 . 11340 1
540 . 1 1 49 49 LYS HE2 H 1 2.830 0.030 . 1 . . . . 49 LYS HE2 . 11340 1
541 . 1 1 49 49 LYS HE3 H 1 2.830 0.030 . 1 . . . . 49 LYS HE3 . 11340 1
542 . 1 1 49 49 LYS HG2 H 1 1.207 0.030 . 2 . . . . 49 LYS HG2 . 11340 1
543 . 1 1 49 49 LYS HG3 H 1 1.411 0.030 . 2 . . . . 49 LYS HG3 . 11340 1
544 . 1 1 49 49 LYS C C 13 177.724 0.300 . 1 . . . . 49 LYS C . 11340 1
545 . 1 1 49 49 LYS CA C 13 61.352 0.300 . 1 . . . . 49 LYS CA . 11340 1
546 . 1 1 49 49 LYS CB C 13 32.131 0.300 . 1 . . . . 49 LYS CB . 11340 1
547 . 1 1 49 49 LYS CD C 13 29.708 0.300 . 1 . . . . 49 LYS CD . 11340 1
548 . 1 1 49 49 LYS CE C 13 42.061 0.300 . 1 . . . . 49 LYS CE . 11340 1
549 . 1 1 49 49 LYS CG C 13 25.315 0.300 . 1 . . . . 49 LYS CG . 11340 1
550 . 1 1 49 49 LYS N N 15 126.548 0.300 . 1 . . . . 49 LYS N . 11340 1
551 . 1 1 50 50 ALA H H 1 8.944 0.030 . 1 . . . . 50 ALA H . 11340 1
552 . 1 1 50 50 ALA HA H 1 4.015 0.030 . 1 . . . . 50 ALA HA . 11340 1
553 . 1 1 50 50 ALA HB1 H 1 1.458 0.030 . 1 . . . . 50 ALA HB . 11340 1
554 . 1 1 50 50 ALA HB2 H 1 1.458 0.030 . 1 . . . . 50 ALA HB . 11340 1
555 . 1 1 50 50 ALA HB3 H 1 1.458 0.030 . 1 . . . . 50 ALA HB . 11340 1
556 . 1 1 50 50 ALA C C 13 181.259 0.300 . 1 . . . . 50 ALA C . 11340 1
557 . 1 1 50 50 ALA CA C 13 55.004 0.300 . 1 . . . . 50 ALA CA . 11340 1
558 . 1 1 50 50 ALA CB C 13 18.554 0.300 . 1 . . . . 50 ALA CB . 11340 1
559 . 1 1 50 50 ALA N N 15 115.611 0.300 . 1 . . . . 50 ALA N . 11340 1
560 . 1 1 51 51 CYS H H 1 7.006 0.030 . 1 . . . . 51 CYS H . 11340 1
561 . 1 1 51 51 CYS HA H 1 3.980 0.030 . 1 . . . . 51 CYS HA . 11340 1
562 . 1 1 51 51 CYS HB2 H 1 3.094 0.030 . 2 . . . . 51 CYS HB2 . 11340 1
563 . 1 1 51 51 CYS HB3 H 1 2.904 0.030 . 2 . . . . 51 CYS HB3 . 11340 1
564 . 1 1 51 51 CYS C C 13 177.973 0.300 . 1 . . . . 51 CYS C . 11340 1
565 . 1 1 51 51 CYS CA C 13 63.730 0.300 . 1 . . . . 51 CYS CA . 11340 1
566 . 1 1 51 51 CYS CB C 13 29.830 0.300 . 1 . . . . 51 CYS CB . 11340 1
567 . 1 1 51 51 CYS N N 15 115.868 0.300 . 1 . . . . 51 CYS N . 11340 1
568 . 1 1 52 52 ILE H H 1 8.049 0.030 . 1 . . . . 52 ILE H . 11340 1
569 . 1 1 52 52 ILE HA H 1 3.992 0.030 . 1 . . . . 52 ILE HA . 11340 1
570 . 1 1 52 52 ILE HB H 1 1.171 0.030 . 1 . . . . 52 ILE HB . 11340 1
571 . 1 1 52 52 ILE HD11 H 1 0.042 0.030 . 1 . . . . 52 ILE HD1 . 11340 1
572 . 1 1 52 52 ILE HD12 H 1 0.042 0.030 . 1 . . . . 52 ILE HD1 . 11340 1
573 . 1 1 52 52 ILE HD13 H 1 0.042 0.030 . 1 . . . . 52 ILE HD1 . 11340 1
574 . 1 1 52 52 ILE HG12 H 1 1.066 0.030 . 2 . . . . 52 ILE HG12 . 11340 1
575 . 1 1 52 52 ILE HG13 H 1 0.784 0.030 . 2 . . . . 52 ILE HG13 . 11340 1
576 . 1 1 52 52 ILE HG21 H 1 1.077 0.030 . 1 . . . . 52 ILE HG2 . 11340 1
577 . 1 1 52 52 ILE HG22 H 1 1.077 0.030 . 1 . . . . 52 ILE HG2 . 11340 1
578 . 1 1 52 52 ILE HG23 H 1 1.077 0.030 . 1 . . . . 52 ILE HG2 . 11340 1
579 . 1 1 52 52 ILE C C 13 175.906 0.300 . 1 . . . . 52 ILE C . 11340 1
580 . 1 1 52 52 ILE CA C 13 59.337 0.300 . 1 . . . . 52 ILE CA . 11340 1
581 . 1 1 52 52 ILE CB C 13 37.987 0.300 . 1 . . . . 52 ILE CB . 11340 1
582 . 1 1 52 52 ILE CD1 C 13 12.973 0.300 . 1 . . . . 52 ILE CD1 . 11340 1
583 . 1 1 52 52 ILE CG1 C 13 30.017 0.300 . 1 . . . . 52 ILE CG1 . 11340 1
584 . 1 1 52 52 ILE CG2 C 13 20.613 0.300 . 1 . . . . 52 ILE CG2 . 11340 1
585 . 1 1 52 52 ILE N N 15 118.742 0.300 . 1 . . . . 52 ILE N . 11340 1
586 . 1 1 53 53 ILE H H 1 7.997 0.030 . 1 . . . . 53 ILE H . 11340 1
587 . 1 1 53 53 ILE HA H 1 3.601 0.030 . 1 . . . . 53 ILE HA . 11340 1
588 . 1 1 53 53 ILE HB H 1 1.816 0.030 . 1 . . . . 53 ILE HB . 11340 1
589 . 1 1 53 53 ILE HD11 H 1 0.702 0.030 . 1 . . . . 53 ILE HD1 . 11340 1
590 . 1 1 53 53 ILE HD12 H 1 0.702 0.030 . 1 . . . . 53 ILE HD1 . 11340 1
591 . 1 1 53 53 ILE HD13 H 1 0.702 0.030 . 1 . . . . 53 ILE HD1 . 11340 1
592 . 1 1 53 53 ILE HG12 H 1 1.111 0.030 . 2 . . . . 53 ILE HG12 . 11340 1
593 . 1 1 53 53 ILE HG13 H 1 1.632 0.030 . 2 . . . . 53 ILE HG13 . 11340 1
594 . 1 1 53 53 ILE HG21 H 1 0.800 0.030 . 1 . . . . 53 ILE HG2 . 11340 1
595 . 1 1 53 53 ILE HG22 H 1 0.800 0.030 . 1 . . . . 53 ILE HG2 . 11340 1
596 . 1 1 53 53 ILE HG23 H 1 0.800 0.030 . 1 . . . . 53 ILE HG2 . 11340 1
597 . 1 1 53 53 ILE C C 13 177.933 0.300 . 1 . . . . 53 ILE C . 11340 1
598 . 1 1 53 53 ILE CA C 13 65.529 0.300 . 1 . . . . 53 ILE CA . 11340 1
599 . 1 1 53 53 ILE CB C 13 36.674 0.300 . 1 . . . . 53 ILE CB . 11340 1
600 . 1 1 53 53 ILE CD1 C 13 12.655 0.300 . 1 . . . . 53 ILE CD1 . 11340 1
601 . 1 1 53 53 ILE CG1 C 13 29.687 0.300 . 1 . . . . 53 ILE CG1 . 11340 1
602 . 1 1 53 53 ILE CG2 C 13 16.724 0.300 . 1 . . . . 53 ILE CG2 . 11340 1
603 . 1 1 53 53 ILE N N 15 124.304 0.300 . 1 . . . . 53 ILE N . 11340 1
604 . 1 1 54 54 LYS H H 1 7.194 0.030 . 1 . . . . 54 LYS H . 11340 1
605 . 1 1 54 54 LYS HA H 1 3.903 0.030 . 1 . . . . 54 LYS HA . 11340 1
606 . 1 1 54 54 LYS HB2 H 1 1.956 0.030 . 2 . . . . 54 LYS HB2 . 11340 1
607 . 1 1 54 54 LYS HB3 H 1 1.821 0.030 . 2 . . . . 54 LYS HB3 . 11340 1
608 . 1 1 54 54 LYS HD2 H 1 1.668 0.030 . 1 . . . . 54 LYS HD2 . 11340 1
609 . 1 1 54 54 LYS HD3 H 1 1.668 0.030 . 1 . . . . 54 LYS HD3 . 11340 1
610 . 1 1 54 54 LYS HE2 H 1 2.976 0.030 . 1 . . . . 54 LYS HE2 . 11340 1
611 . 1 1 54 54 LYS HE3 H 1 2.976 0.030 . 1 . . . . 54 LYS HE3 . 11340 1
612 . 1 1 54 54 LYS HG2 H 1 1.365 0.030 . 2 . . . . 54 LYS HG2 . 11340 1
613 . 1 1 54 54 LYS HG3 H 1 1.466 0.030 . 2 . . . . 54 LYS HG3 . 11340 1
614 . 1 1 54 54 LYS C C 13 177.472 0.300 . 1 . . . . 54 LYS C . 11340 1
615 . 1 1 54 54 LYS CA C 13 59.715 0.300 . 1 . . . . 54 LYS CA . 11340 1
616 . 1 1 54 54 LYS CB C 13 32.088 0.300 . 1 . . . . 54 LYS CB . 11340 1
617 . 1 1 54 54 LYS CD C 13 29.475 0.300 . 1 . . . . 54 LYS CD . 11340 1
618 . 1 1 54 54 LYS CE C 13 42.225 0.300 . 1 . . . . 54 LYS CE . 11340 1
619 . 1 1 54 54 LYS CG C 13 24.953 0.300 . 1 . . . . 54 LYS CG . 11340 1
620 . 1 1 54 54 LYS N N 15 119.558 0.300 . 1 . . . . 54 LYS N . 11340 1
621 . 1 1 55 55 SER H H 1 7.722 0.030 . 1 . . . . 55 SER H . 11340 1
622 . 1 1 55 55 SER HA H 1 4.100 0.030 . 1 . . . . 55 SER HA . 11340 1
623 . 1 1 55 55 SER HB2 H 1 3.719 0.030 . 2 . . . . 55 SER HB2 . 11340 1
624 . 1 1 55 55 SER HB3 H 1 4.056 0.030 . 2 . . . . 55 SER HB3 . 11340 1
625 . 1 1 55 55 SER C C 13 177.807 0.300 . 1 . . . . 55 SER C . 11340 1
626 . 1 1 55 55 SER CA C 13 62.014 0.300 . 1 . . . . 55 SER CA . 11340 1
627 . 1 1 55 55 SER CB C 13 64.056 0.300 . 1 . . . . 55 SER CB . 11340 1
628 . 1 1 55 55 SER N N 15 112.707 0.300 . 1 . . . . 55 SER N . 11340 1
629 . 1 1 56 56 ILE H H 1 8.478 0.030 . 1 . . . . 56 ILE H . 11340 1
630 . 1 1 56 56 ILE HA H 1 4.114 0.030 . 1 . . . . 56 ILE HA . 11340 1
631 . 1 1 56 56 ILE HB H 1 1.732 0.030 . 1 . . . . 56 ILE HB . 11340 1
632 . 1 1 56 56 ILE HD11 H 1 0.588 0.030 . 1 . . . . 56 ILE HD1 . 11340 1
633 . 1 1 56 56 ILE HD12 H 1 0.588 0.030 . 1 . . . . 56 ILE HD1 . 11340 1
634 . 1 1 56 56 ILE HD13 H 1 0.588 0.030 . 1 . . . . 56 ILE HD1 . 11340 1
635 . 1 1 56 56 ILE HG12 H 1 0.841 0.030 . 2 . . . . 56 ILE HG12 . 11340 1
636 . 1 1 56 56 ILE HG13 H 1 1.730 0.030 . 2 . . . . 56 ILE HG13 . 11340 1
637 . 1 1 56 56 ILE HG21 H 1 0.533 0.030 . 1 . . . . 56 ILE HG2 . 11340 1
638 . 1 1 56 56 ILE HG22 H 1 0.533 0.030 . 1 . . . . 56 ILE HG2 . 11340 1
639 . 1 1 56 56 ILE HG23 H 1 0.533 0.030 . 1 . . . . 56 ILE HG2 . 11340 1
640 . 1 1 56 56 ILE C C 13 178.707 0.300 . 1 . . . . 56 ILE C . 11340 1
641 . 1 1 56 56 ILE CA C 13 63.570 0.300 . 1 . . . . 56 ILE CA . 11340 1
642 . 1 1 56 56 ILE CB C 13 38.060 0.300 . 1 . . . . 56 ILE CB . 11340 1
643 . 1 1 56 56 ILE CD1 C 13 14.208 0.300 . 1 . . . . 56 ILE CD1 . 11340 1
644 . 1 1 56 56 ILE CG1 C 13 28.929 0.300 . 1 . . . . 56 ILE CG1 . 11340 1
645 . 1 1 56 56 ILE CG2 C 13 17.335 0.300 . 1 . . . . 56 ILE CG2 . 11340 1
646 . 1 1 56 56 ILE N N 15 120.697 0.300 . 1 . . . . 56 ILE N . 11340 1
647 . 1 1 57 57 ARG H H 1 7.672 0.030 . 1 . . . . 57 ARG H . 11340 1
648 . 1 1 57 57 ARG HA H 1 3.968 0.030 . 1 . . . . 57 ARG HA . 11340 1
649 . 1 1 57 57 ARG HB2 H 1 1.947 0.030 . 2 . . . . 57 ARG HB2 . 11340 1
650 . 1 1 57 57 ARG HB3 H 1 1.859 0.030 . 2 . . . . 57 ARG HB3 . 11340 1
651 . 1 1 57 57 ARG HD2 H 1 3.121 0.030 . 1 . . . . 57 ARG HD2 . 11340 1
652 . 1 1 57 57 ARG HD3 H 1 3.121 0.030 . 1 . . . . 57 ARG HD3 . 11340 1
653 . 1 1 57 57 ARG HG2 H 1 1.603 0.030 . 2 . . . . 57 ARG HG2 . 11340 1
654 . 1 1 57 57 ARG HG3 H 1 1.805 0.030 . 2 . . . . 57 ARG HG3 . 11340 1
655 . 1 1 57 57 ARG C C 13 178.184 0.300 . 1 . . . . 57 ARG C . 11340 1
656 . 1 1 57 57 ARG CA C 13 59.059 0.300 . 1 . . . . 57 ARG CA . 11340 1
657 . 1 1 57 57 ARG CB C 13 30.255 0.300 . 1 . . . . 57 ARG CB . 11340 1
658 . 1 1 57 57 ARG CD C 13 43.596 0.300 . 1 . . . . 57 ARG CD . 11340 1
659 . 1 1 57 57 ARG CG C 13 27.214 0.300 . 1 . . . . 57 ARG CG . 11340 1
660 . 1 1 57 57 ARG N N 15 119.289 0.300 . 1 . . . . 57 ARG N . 11340 1
661 . 1 1 58 58 ASP H H 1 8.455 0.030 . 1 . . . . 58 ASP H . 11340 1
662 . 1 1 58 58 ASP HA H 1 4.576 0.030 . 1 . . . . 58 ASP HA . 11340 1
663 . 1 1 58 58 ASP HB2 H 1 2.687 0.030 . 2 . . . . 58 ASP HB2 . 11340 1
664 . 1 1 58 58 ASP HB3 H 1 2.634 0.030 . 2 . . . . 58 ASP HB3 . 11340 1
665 . 1 1 58 58 ASP C C 13 177.460 0.300 . 1 . . . . 58 ASP C . 11340 1
666 . 1 1 58 58 ASP CA C 13 56.214 0.300 . 1 . . . . 58 ASP CA . 11340 1
667 . 1 1 58 58 ASP CB C 13 41.365 0.300 . 1 . . . . 58 ASP CB . 11340 1
668 . 1 1 58 58 ASP N N 15 117.285 0.300 . 1 . . . . 58 ASP N . 11340 1
669 . 1 1 59 59 ALA H H 1 9.007 0.030 . 1 . . . . 59 ALA H . 11340 1
670 . 1 1 59 59 ALA HA H 1 4.589 0.030 . 1 . . . . 59 ALA HA . 11340 1
671 . 1 1 59 59 ALA HB1 H 1 1.445 0.030 . 1 . . . . 59 ALA HB . 11340 1
672 . 1 1 59 59 ALA HB2 H 1 1.445 0.030 . 1 . . . . 59 ALA HB . 11340 1
673 . 1 1 59 59 ALA HB3 H 1 1.445 0.030 . 1 . . . . 59 ALA HB . 11340 1
674 . 1 1 59 59 ALA C C 13 177.757 0.300 . 1 . . . . 59 ALA C . 11340 1
675 . 1 1 59 59 ALA CA C 13 52.271 0.300 . 1 . . . . 59 ALA CA . 11340 1
676 . 1 1 59 59 ALA CB C 13 20.226 0.300 . 1 . . . . 59 ALA CB . 11340 1
677 . 1 1 59 59 ALA N N 15 122.597 0.300 . 1 . . . . 59 ALA N . 11340 1
678 . 1 1 60 60 GLY H H 1 7.554 0.030 . 1 . . . . 60 GLY H . 11340 1
679 . 1 1 60 60 GLY HA2 H 1 3.803 0.030 . 2 . . . . 60 GLY HA2 . 11340 1
680 . 1 1 60 60 GLY HA3 H 1 4.456 0.030 . 2 . . . . 60 GLY HA3 . 11340 1
681 . 1 1 60 60 GLY C C 13 174.422 0.300 . 1 . . . . 60 GLY C . 11340 1
682 . 1 1 60 60 GLY CA C 13 44.084 0.300 . 1 . . . . 60 GLY CA . 11340 1
683 . 1 1 60 60 GLY N N 15 106.705 0.300 . 1 . . . . 60 GLY N . 11340 1
684 . 1 1 61 61 HIS HA H 1 4.532 0.030 . 1 . . . . 61 HIS HA . 11340 1
685 . 1 1 61 61 HIS HB2 H 1 3.552 0.030 . 2 . . . . 61 HIS HB2 . 11340 1
686 . 1 1 61 61 HIS HB3 H 1 3.032 0.030 . 2 . . . . 61 HIS HB3 . 11340 1
687 . 1 1 61 61 HIS HD2 H 1 7.106 0.030 . 1 . . . . 61 HIS HD2 . 11340 1
688 . 1 1 61 61 HIS HE1 H 1 8.154 0.030 . 1 . . . . 61 HIS HE1 . 11340 1
689 . 1 1 61 61 HIS C C 13 175.350 0.300 . 1 . . . . 61 HIS C . 11340 1
690 . 1 1 61 61 HIS CA C 13 56.398 0.300 . 1 . . . . 61 HIS CA . 11340 1
691 . 1 1 61 61 HIS CB C 13 27.179 0.300 . 1 . . . . 61 HIS CB . 11340 1
692 . 1 1 61 61 HIS CD2 C 13 119.496 0.300 . 1 . . . . 61 HIS CD2 . 11340 1
693 . 1 1 61 61 HIS CE1 C 13 137.447 0.300 . 1 . . . . 61 HIS CE1 . 11340 1
694 . 1 1 62 62 LYS H H 1 8.368 0.030 . 1 . . . . 62 LYS H . 11340 1
695 . 1 1 62 62 LYS HA H 1 5.200 0.030 . 1 . . . . 62 LYS HA . 11340 1
696 . 1 1 62 62 LYS HB2 H 1 1.263 0.030 . 2 . . . . 62 LYS HB2 . 11340 1
697 . 1 1 62 62 LYS HB3 H 1 1.521 0.030 . 2 . . . . 62 LYS HB3 . 11340 1
698 . 1 1 62 62 LYS HD2 H 1 1.516 0.030 . 2 . . . . 62 LYS HD2 . 11340 1
699 . 1 1 62 62 LYS HD3 H 1 1.454 0.030 . 2 . . . . 62 LYS HD3 . 11340 1
700 . 1 1 62 62 LYS HE2 H 1 2.892 0.030 . 2 . . . . 62 LYS HE2 . 11340 1
701 . 1 1 62 62 LYS HE3 H 1 2.820 0.030 . 2 . . . . 62 LYS HE3 . 11340 1
702 . 1 1 62 62 LYS HG2 H 1 0.945 0.030 . 1 . . . . 62 LYS HG2 . 11340 1
703 . 1 1 62 62 LYS HG3 H 1 0.945 0.030 . 1 . . . . 62 LYS HG3 . 11340 1
704 . 1 1 62 62 LYS C C 13 174.143 0.300 . 1 . . . . 62 LYS C . 11340 1
705 . 1 1 62 62 LYS CA C 13 54.077 0.300 . 1 . . . . 62 LYS CA . 11340 1
706 . 1 1 62 62 LYS CB C 13 35.597 0.300 . 1 . . . . 62 LYS CB . 11340 1
707 . 1 1 62 62 LYS CD C 13 29.687 0.300 . 1 . . . . 62 LYS CD . 11340 1
708 . 1 1 62 62 LYS CE C 13 42.316 0.300 . 1 . . . . 62 LYS CE . 11340 1
709 . 1 1 62 62 LYS CG C 13 23.507 0.300 . 1 . . . . 62 LYS CG . 11340 1
710 . 1 1 62 62 LYS N N 15 122.014 0.300 . 1 . . . . 62 LYS N . 11340 1
711 . 1 1 63 63 CYS H H 1 9.149 0.030 . 1 . . . . 63 CYS H . 11340 1
712 . 1 1 63 63 CYS HA H 1 4.373 0.030 . 1 . . . . 63 CYS HA . 11340 1
713 . 1 1 63 63 CYS HB2 H 1 2.968 0.030 . 2 . . . . 63 CYS HB2 . 11340 1
714 . 1 1 63 63 CYS HB3 H 1 3.585 0.030 . 2 . . . . 63 CYS HB3 . 11340 1
715 . 1 1 63 63 CYS C C 13 176.020 0.300 . 1 . . . . 63 CYS C . 11340 1
716 . 1 1 63 63 CYS CA C 13 56.257 0.300 . 1 . . . . 63 CYS CA . 11340 1
717 . 1 1 63 63 CYS CB C 13 30.831 0.300 . 1 . . . . 63 CYS CB . 11340 1
718 . 1 1 63 63 CYS N N 15 126.150 0.300 . 1 . . . . 63 CYS N . 11340 1
719 . 1 1 64 64 PRO HA H 1 4.364 0.030 . 1 . . . . 64 PRO HA . 11340 1
720 . 1 1 64 64 PRO HB2 H 1 1.910 0.030 . 2 . . . . 64 PRO HB2 . 11340 1
721 . 1 1 64 64 PRO HB3 H 1 2.123 0.030 . 2 . . . . 64 PRO HB3 . 11340 1
722 . 1 1 64 64 PRO HD2 H 1 3.475 0.030 . 2 . . . . 64 PRO HD2 . 11340 1
723 . 1 1 64 64 PRO HD3 H 1 3.799 0.030 . 2 . . . . 64 PRO HD3 . 11340 1
724 . 1 1 64 64 PRO HG2 H 1 1.733 0.030 . 2 . . . . 64 PRO HG2 . 11340 1
725 . 1 1 64 64 PRO HG3 H 1 1.675 0.030 . 2 . . . . 64 PRO HG3 . 11340 1
726 . 1 1 64 64 PRO C C 13 177.171 0.300 . 1 . . . . 64 PRO C . 11340 1
727 . 1 1 64 64 PRO CA C 13 63.933 0.300 . 1 . . . . 64 PRO CA . 11340 1
728 . 1 1 64 64 PRO CB C 13 31.966 0.300 . 1 . . . . 64 PRO CB . 11340 1
729 . 1 1 64 64 PRO CD C 13 50.619 0.300 . 1 . . . . 64 PRO CD . 11340 1
730 . 1 1 64 64 PRO CG C 13 27.109 0.300 . 1 . . . . 64 PRO CG . 11340 1
731 . 1 1 65 65 VAL H H 1 8.666 0.030 . 1 . . . . 65 VAL H . 11340 1
732 . 1 1 65 65 VAL HA H 1 3.764 0.030 . 1 . . . . 65 VAL HA . 11340 1
733 . 1 1 65 65 VAL HB H 1 1.383 0.030 . 1 . . . . 65 VAL HB . 11340 1
734 . 1 1 65 65 VAL HG11 H 1 0.663 0.030 . 1 . . . . 65 VAL HG1 . 11340 1
735 . 1 1 65 65 VAL HG12 H 1 0.663 0.030 . 1 . . . . 65 VAL HG1 . 11340 1
736 . 1 1 65 65 VAL HG13 H 1 0.663 0.030 . 1 . . . . 65 VAL HG1 . 11340 1
737 . 1 1 65 65 VAL HG21 H 1 0.604 0.030 . 1 . . . . 65 VAL HG2 . 11340 1
738 . 1 1 65 65 VAL HG22 H 1 0.604 0.030 . 1 . . . . 65 VAL HG2 . 11340 1
739 . 1 1 65 65 VAL HG23 H 1 0.604 0.030 . 1 . . . . 65 VAL HG2 . 11340 1
740 . 1 1 65 65 VAL C C 13 176.924 0.300 . 1 . . . . 65 VAL C . 11340 1
741 . 1 1 65 65 VAL CA C 13 65.233 0.300 . 1 . . . . 65 VAL CA . 11340 1
742 . 1 1 65 65 VAL CB C 13 32.318 0.300 . 1 . . . . 65 VAL CB . 11340 1
743 . 1 1 65 65 VAL CG1 C 13 21.452 0.300 . 2 . . . . 65 VAL CG1 . 11340 1
744 . 1 1 65 65 VAL CG2 C 13 21.004 0.300 . 2 . . . . 65 VAL CG2 . 11340 1
745 . 1 1 65 65 VAL N N 15 121.505 0.300 . 1 . . . . 65 VAL N . 11340 1
746 . 1 1 66 66 ASP H H 1 7.364 0.030 . 1 . . . . 66 ASP H . 11340 1
747 . 1 1 66 66 ASP HA H 1 4.875 0.030 . 1 . . . . 66 ASP HA . 11340 1
748 . 1 1 66 66 ASP HB2 H 1 2.645 0.030 . 2 . . . . 66 ASP HB2 . 11340 1
749 . 1 1 66 66 ASP HB3 H 1 3.306 0.030 . 2 . . . . 66 ASP HB3 . 11340 1
750 . 1 1 66 66 ASP C C 13 176.419 0.300 . 1 . . . . 66 ASP C . 11340 1
751 . 1 1 66 66 ASP CA C 13 54.182 0.300 . 1 . . . . 66 ASP CA . 11340 1
752 . 1 1 66 66 ASP CB C 13 43.005 0.300 . 1 . . . . 66 ASP CB . 11340 1
753 . 1 1 66 66 ASP N N 15 114.804 0.300 . 1 . . . . 66 ASP N . 11340 1
754 . 1 1 67 67 ASN H H 1 8.505 0.030 . 1 . . . . 67 ASN H . 11340 1
755 . 1 1 67 67 ASN HA H 1 4.329 0.030 . 1 . . . . 67 ASN HA . 11340 1
756 . 1 1 67 67 ASN HB2 H 1 3.030 0.030 . 1 . . . . 67 ASN HB2 . 11340 1
757 . 1 1 67 67 ASN HB3 H 1 3.030 0.030 . 1 . . . . 67 ASN HB3 . 11340 1
758 . 1 1 67 67 ASN HD21 H 1 6.827 0.030 . 2 . . . . 67 ASN HD21 . 11340 1
759 . 1 1 67 67 ASN HD22 H 1 7.491 0.030 . 2 . . . . 67 ASN HD22 . 11340 1
760 . 1 1 67 67 ASN C C 13 174.327 0.300 . 1 . . . . 67 ASN C . 11340 1
761 . 1 1 67 67 ASN CA C 13 55.609 0.300 . 1 . . . . 67 ASN CA . 11340 1
762 . 1 1 67 67 ASN CB C 13 37.878 0.300 . 1 . . . . 67 ASN CB . 11340 1
763 . 1 1 67 67 ASN N N 15 115.524 0.300 . 1 . . . . 67 ASN N . 11340 1
764 . 1 1 67 67 ASN ND2 N 15 113.617 0.300 . 1 . . . . 67 ASN ND2 . 11340 1
765 . 1 1 68 68 GLU H H 1 8.757 0.030 . 1 . . . . 68 GLU H . 11340 1
766 . 1 1 68 68 GLU HA H 1 4.195 0.030 . 1 . . . . 68 GLU HA . 11340 1
767 . 1 1 68 68 GLU HB2 H 1 2.090 0.030 . 1 . . . . 68 GLU HB2 . 11340 1
768 . 1 1 68 68 GLU HB3 H 1 2.090 0.030 . 1 . . . . 68 GLU HB3 . 11340 1
769 . 1 1 68 68 GLU HG2 H 1 2.309 0.030 . 2 . . . . 68 GLU HG2 . 11340 1
770 . 1 1 68 68 GLU HG3 H 1 2.129 0.030 . 2 . . . . 68 GLU HG3 . 11340 1
771 . 1 1 68 68 GLU C C 13 176.537 0.300 . 1 . . . . 68 GLU C . 11340 1
772 . 1 1 68 68 GLU CA C 13 56.911 0.300 . 1 . . . . 68 GLU CA . 11340 1
773 . 1 1 68 68 GLU CB C 13 29.896 0.300 . 1 . . . . 68 GLU CB . 11340 1
774 . 1 1 68 68 GLU CG C 13 36.619 0.300 . 1 . . . . 68 GLU CG . 11340 1
775 . 1 1 68 68 GLU N N 15 120.717 0.300 . 1 . . . . 68 GLU N . 11340 1
776 . 1 1 69 69 ILE H H 1 8.532 0.030 . 1 . . . . 69 ILE H . 11340 1
777 . 1 1 69 69 ILE HA H 1 4.013 0.030 . 1 . . . . 69 ILE HA . 11340 1
778 . 1 1 69 69 ILE HB H 1 1.811 0.030 . 1 . . . . 69 ILE HB . 11340 1
779 . 1 1 69 69 ILE HD11 H 1 0.945 0.030 . 1 . . . . 69 ILE HD1 . 11340 1
780 . 1 1 69 69 ILE HD12 H 1 0.945 0.030 . 1 . . . . 69 ILE HD1 . 11340 1
781 . 1 1 69 69 ILE HD13 H 1 0.945 0.030 . 1 . . . . 69 ILE HD1 . 11340 1
782 . 1 1 69 69 ILE HG12 H 1 1.305 0.030 . 2 . . . . 69 ILE HG12 . 11340 1
783 . 1 1 69 69 ILE HG13 H 1 1.712 0.030 . 2 . . . . 69 ILE HG13 . 11340 1
784 . 1 1 69 69 ILE HG21 H 1 0.957 0.030 . 1 . . . . 69 ILE HG2 . 11340 1
785 . 1 1 69 69 ILE HG22 H 1 0.957 0.030 . 1 . . . . 69 ILE HG2 . 11340 1
786 . 1 1 69 69 ILE HG23 H 1 0.957 0.030 . 1 . . . . 69 ILE HG2 . 11340 1
787 . 1 1 69 69 ILE C C 13 175.469 0.300 . 1 . . . . 69 ILE C . 11340 1
788 . 1 1 69 69 ILE CA C 13 62.894 0.300 . 1 . . . . 69 ILE CA . 11340 1
789 . 1 1 69 69 ILE CB C 13 37.839 0.300 . 1 . . . . 69 ILE CB . 11340 1
790 . 1 1 69 69 ILE CD1 C 13 12.884 0.300 . 1 . . . . 69 ILE CD1 . 11340 1
791 . 1 1 69 69 ILE CG1 C 13 28.631 0.300 . 1 . . . . 69 ILE CG1 . 11340 1
792 . 1 1 69 69 ILE CG2 C 13 17.385 0.300 . 1 . . . . 69 ILE CG2 . 11340 1
793 . 1 1 69 69 ILE N N 15 122.391 0.300 . 1 . . . . 69 ILE N . 11340 1
794 . 1 1 70 70 LEU H H 1 7.569 0.030 . 1 . . . . 70 LEU H . 11340 1
795 . 1 1 70 70 LEU HA H 1 4.629 0.030 . 1 . . . . 70 LEU HA . 11340 1
796 . 1 1 70 70 LEU HB2 H 1 1.328 0.030 . 2 . . . . 70 LEU HB2 . 11340 1
797 . 1 1 70 70 LEU HB3 H 1 1.241 0.030 . 2 . . . . 70 LEU HB3 . 11340 1
798 . 1 1 70 70 LEU HD11 H 1 0.916 0.030 . 1 . . . . 70 LEU HD1 . 11340 1
799 . 1 1 70 70 LEU HD12 H 1 0.916 0.030 . 1 . . . . 70 LEU HD1 . 11340 1
800 . 1 1 70 70 LEU HD13 H 1 0.916 0.030 . 1 . . . . 70 LEU HD1 . 11340 1
801 . 1 1 70 70 LEU HD21 H 1 0.757 0.030 . 1 . . . . 70 LEU HD2 . 11340 1
802 . 1 1 70 70 LEU HD22 H 1 0.757 0.030 . 1 . . . . 70 LEU HD2 . 11340 1
803 . 1 1 70 70 LEU HD23 H 1 0.757 0.030 . 1 . . . . 70 LEU HD2 . 11340 1
804 . 1 1 70 70 LEU HG H 1 1.356 0.030 . 1 . . . . 70 LEU HG . 11340 1
805 . 1 1 70 70 LEU C C 13 173.202 0.300 . 1 . . . . 70 LEU C . 11340 1
806 . 1 1 70 70 LEU CA C 13 54.009 0.300 . 1 . . . . 70 LEU CA . 11340 1
807 . 1 1 70 70 LEU CB C 13 45.275 0.300 . 1 . . . . 70 LEU CB . 11340 1
808 . 1 1 70 70 LEU CD1 C 13 24.377 0.300 . 2 . . . . 70 LEU CD1 . 11340 1
809 . 1 1 70 70 LEU CD2 C 13 26.027 0.300 . 2 . . . . 70 LEU CD2 . 11340 1
810 . 1 1 70 70 LEU CG C 13 26.870 0.300 . 1 . . . . 70 LEU CG . 11340 1
811 . 1 1 70 70 LEU N N 15 127.778 0.300 . 1 . . . . 70 LEU N . 11340 1
812 . 1 1 71 71 LEU H H 1 8.102 0.030 . 1 . . . . 71 LEU H . 11340 1
813 . 1 1 71 71 LEU HA H 1 4.596 0.030 . 1 . . . . 71 LEU HA . 11340 1
814 . 1 1 71 71 LEU HB2 H 1 1.534 0.030 . 1 . . . . 71 LEU HB2 . 11340 1
815 . 1 1 71 71 LEU HB3 H 1 1.534 0.030 . 1 . . . . 71 LEU HB3 . 11340 1
816 . 1 1 71 71 LEU HD11 H 1 0.845 0.030 . 1 . . . . 71 LEU HD1 . 11340 1
817 . 1 1 71 71 LEU HD12 H 1 0.845 0.030 . 1 . . . . 71 LEU HD1 . 11340 1
818 . 1 1 71 71 LEU HD13 H 1 0.845 0.030 . 1 . . . . 71 LEU HD1 . 11340 1
819 . 1 1 71 71 LEU HD21 H 1 0.738 0.030 . 1 . . . . 71 LEU HD2 . 11340 1
820 . 1 1 71 71 LEU HD22 H 1 0.738 0.030 . 1 . . . . 71 LEU HD2 . 11340 1
821 . 1 1 71 71 LEU HD23 H 1 0.738 0.030 . 1 . . . . 71 LEU HD2 . 11340 1
822 . 1 1 71 71 LEU HG H 1 1.533 0.030 . 1 . . . . 71 LEU HG . 11340 1
823 . 1 1 71 71 LEU C C 13 178.466 0.300 . 1 . . . . 71 LEU C . 11340 1
824 . 1 1 71 71 LEU CA C 13 52.774 0.300 . 1 . . . . 71 LEU CA . 11340 1
825 . 1 1 71 71 LEU CB C 13 43.327 0.300 . 1 . . . . 71 LEU CB . 11340 1
826 . 1 1 71 71 LEU CD1 C 13 25.083 0.300 . 2 . . . . 71 LEU CD1 . 11340 1
827 . 1 1 71 71 LEU CD2 C 13 22.846 0.300 . 2 . . . . 71 LEU CD2 . 11340 1
828 . 1 1 71 71 LEU CG C 13 27.485 0.300 . 1 . . . . 71 LEU CG . 11340 1
829 . 1 1 71 71 LEU N N 15 121.995 0.300 . 1 . . . . 71 LEU N . 11340 1
830 . 1 1 72 72 GLU H H 1 9.185 0.030 . 1 . . . . 72 GLU H . 11340 1
831 . 1 1 72 72 GLU HA H 1 3.690 0.030 . 1 . . . . 72 GLU HA . 11340 1
832 . 1 1 72 72 GLU HB2 H 1 2.018 0.030 . 1 . . . . 72 GLU HB2 . 11340 1
833 . 1 1 72 72 GLU HB3 H 1 2.018 0.030 . 1 . . . . 72 GLU HB3 . 11340 1
834 . 1 1 72 72 GLU HG2 H 1 2.264 0.030 . 1 . . . . 72 GLU HG2 . 11340 1
835 . 1 1 72 72 GLU HG3 H 1 2.264 0.030 . 1 . . . . 72 GLU HG3 . 11340 1
836 . 1 1 72 72 GLU C C 13 177.424 0.300 . 1 . . . . 72 GLU C . 11340 1
837 . 1 1 72 72 GLU CA C 13 60.148 0.300 . 1 . . . . 72 GLU CA . 11340 1
838 . 1 1 72 72 GLU CB C 13 29.521 0.300 . 1 . . . . 72 GLU CB . 11340 1
839 . 1 1 72 72 GLU CG C 13 37.252 0.300 . 1 . . . . 72 GLU CG . 11340 1
840 . 1 1 72 72 GLU N N 15 121.554 0.300 . 1 . . . . 72 GLU N . 11340 1
841 . 1 1 73 73 ASN H H 1 8.169 0.030 . 1 . . . . 73 ASN H . 11340 1
842 . 1 1 73 73 ASN HA H 1 4.526 0.030 . 1 . . . . 73 ASN HA . 11340 1
843 . 1 1 73 73 ASN HB2 H 1 2.692 0.030 . 2 . . . . 73 ASN HB2 . 11340 1
844 . 1 1 73 73 ASN HB3 H 1 3.006 0.030 . 2 . . . . 73 ASN HB3 . 11340 1
845 . 1 1 73 73 ASN HD21 H 1 6.655 0.030 . 2 . . . . 73 ASN HD21 . 11340 1
846 . 1 1 73 73 ASN HD22 H 1 7.508 0.030 . 2 . . . . 73 ASN HD22 . 11340 1
847 . 1 1 73 73 ASN C C 13 175.861 0.300 . 1 . . . . 73 ASN C . 11340 1
848 . 1 1 73 73 ASN CA C 13 53.875 0.300 . 1 . . . . 73 ASN CA . 11340 1
849 . 1 1 73 73 ASN CB C 13 36.993 0.300 . 1 . . . . 73 ASN CB . 11340 1
850 . 1 1 73 73 ASN N N 15 113.216 0.300 . 1 . . . . 73 ASN N . 11340 1
851 . 1 1 73 73 ASN ND2 N 15 110.769 0.300 . 1 . . . . 73 ASN ND2 . 11340 1
852 . 1 1 74 74 GLN H H 1 7.655 0.030 . 1 . . . . 74 GLN H . 11340 1
853 . 1 1 74 74 GLN HA H 1 4.264 0.030 . 1 . . . . 74 GLN HA . 11340 1
854 . 1 1 74 74 GLN HB2 H 1 2.266 0.030 . 2 . . . . 74 GLN HB2 . 11340 1
855 . 1 1 74 74 GLN HB3 H 1 2.174 0.030 . 2 . . . . 74 GLN HB3 . 11340 1
856 . 1 1 74 74 GLN HE21 H 1 6.744 0.030 . 2 . . . . 74 GLN HE21 . 11340 1
857 . 1 1 74 74 GLN HE22 H 1 7.525 0.030 . 2 . . . . 74 GLN HE22 . 11340 1
858 . 1 1 74 74 GLN HG2 H 1 2.332 0.030 . 1 . . . . 74 GLN HG2 . 11340 1
859 . 1 1 74 74 GLN HG3 H 1 2.332 0.030 . 1 . . . . 74 GLN HG3 . 11340 1
860 . 1 1 74 74 GLN C C 13 175.005 0.300 . 1 . . . . 74 GLN C . 11340 1
861 . 1 1 74 74 GLN CA C 13 55.647 0.300 . 1 . . . . 74 GLN CA . 11340 1
862 . 1 1 74 74 GLN CB C 13 29.075 0.300 . 1 . . . . 74 GLN CB . 11340 1
863 . 1 1 74 74 GLN CG C 13 34.539 0.300 . 1 . . . . 74 GLN CG . 11340 1
864 . 1 1 74 74 GLN N N 15 117.932 0.300 . 1 . . . . 74 GLN N . 11340 1
865 . 1 1 74 74 GLN NE2 N 15 111.095 0.300 . 1 . . . . 74 GLN NE2 . 11340 1
866 . 1 1 75 75 LEU H H 1 7.002 0.030 . 1 . . . . 75 LEU H . 11340 1
867 . 1 1 75 75 LEU HA H 1 4.396 0.030 . 1 . . . . 75 LEU HA . 11340 1
868 . 1 1 75 75 LEU HB2 H 1 0.929 0.030 . 2 . . . . 75 LEU HB2 . 11340 1
869 . 1 1 75 75 LEU HB3 H 1 1.696 0.030 . 2 . . . . 75 LEU HB3 . 11340 1
870 . 1 1 75 75 LEU HD11 H 1 0.813 0.030 . 1 . . . . 75 LEU HD1 . 11340 1
871 . 1 1 75 75 LEU HD12 H 1 0.813 0.030 . 1 . . . . 75 LEU HD1 . 11340 1
872 . 1 1 75 75 LEU HD13 H 1 0.813 0.030 . 1 . . . . 75 LEU HD1 . 11340 1
873 . 1 1 75 75 LEU HD21 H 1 0.726 0.030 . 1 . . . . 75 LEU HD2 . 11340 1
874 . 1 1 75 75 LEU HD22 H 1 0.726 0.030 . 1 . . . . 75 LEU HD2 . 11340 1
875 . 1 1 75 75 LEU HD23 H 1 0.726 0.030 . 1 . . . . 75 LEU HD2 . 11340 1
876 . 1 1 75 75 LEU HG H 1 1.673 0.030 . 1 . . . . 75 LEU HG . 11340 1
877 . 1 1 75 75 LEU C C 13 176.347 0.300 . 1 . . . . 75 LEU C . 11340 1
878 . 1 1 75 75 LEU CA C 13 54.363 0.300 . 1 . . . . 75 LEU CA . 11340 1
879 . 1 1 75 75 LEU CB C 13 42.155 0.300 . 1 . . . . 75 LEU CB . 11340 1
880 . 1 1 75 75 LEU CD1 C 13 26.171 0.300 . 2 . . . . 75 LEU CD1 . 11340 1
881 . 1 1 75 75 LEU CD2 C 13 24.080 0.300 . 2 . . . . 75 LEU CD2 . 11340 1
882 . 1 1 75 75 LEU CG C 13 26.258 0.300 . 1 . . . . 75 LEU CG . 11340 1
883 . 1 1 75 75 LEU N N 15 117.730 0.300 . 1 . . . . 75 LEU N . 11340 1
884 . 1 1 76 76 PHE H H 1 8.261 0.030 . 1 . . . . 76 PHE H . 11340 1
885 . 1 1 76 76 PHE HA H 1 5.167 0.030 . 1 . . . . 76 PHE HA . 11340 1
886 . 1 1 76 76 PHE HB2 H 1 2.978 0.030 . 2 . . . . 76 PHE HB2 . 11340 1
887 . 1 1 76 76 PHE HB3 H 1 3.142 0.030 . 2 . . . . 76 PHE HB3 . 11340 1
888 . 1 1 76 76 PHE HD1 H 1 7.261 0.030 . 1 . . . . 76 PHE HD1 . 11340 1
889 . 1 1 76 76 PHE HD2 H 1 7.261 0.030 . 1 . . . . 76 PHE HD2 . 11340 1
890 . 1 1 76 76 PHE HE1 H 1 7.180 0.030 . 1 . . . . 76 PHE HE1 . 11340 1
891 . 1 1 76 76 PHE HE2 H 1 7.180 0.030 . 1 . . . . 76 PHE HE2 . 11340 1
892 . 1 1 76 76 PHE HZ H 1 7.181 0.030 . 1 . . . . 76 PHE HZ . 11340 1
893 . 1 1 76 76 PHE C C 13 173.089 0.300 . 1 . . . . 76 PHE C . 11340 1
894 . 1 1 76 76 PHE CA C 13 54.420 0.300 . 1 . . . . 76 PHE CA . 11340 1
895 . 1 1 76 76 PHE CB C 13 39.435 0.300 . 1 . . . . 76 PHE CB . 11340 1
896 . 1 1 76 76 PHE CD1 C 13 132.743 0.300 . 1 . . . . 76 PHE CD1 . 11340 1
897 . 1 1 76 76 PHE CD2 C 13 132.743 0.300 . 1 . . . . 76 PHE CD2 . 11340 1
898 . 1 1 76 76 PHE CE1 C 13 130.879 0.300 . 1 . . . . 76 PHE CE1 . 11340 1
899 . 1 1 76 76 PHE CE2 C 13 130.879 0.300 . 1 . . . . 76 PHE CE2 . 11340 1
900 . 1 1 76 76 PHE CZ C 13 129.333 0.300 . 1 . . . . 76 PHE CZ . 11340 1
901 . 1 1 76 76 PHE N N 15 120.654 0.300 . 1 . . . . 76 PHE N . 11340 1
902 . 1 1 77 77 PRO HA H 1 4.592 0.030 . 1 . . . . 77 PRO HA . 11340 1
903 . 1 1 77 77 PRO HB2 H 1 1.961 0.030 . 2 . . . . 77 PRO HB2 . 11340 1
904 . 1 1 77 77 PRO HB3 H 1 2.371 0.030 . 2 . . . . 77 PRO HB3 . 11340 1
905 . 1 1 77 77 PRO HD2 H 1 3.795 0.030 . 2 . . . . 77 PRO HD2 . 11340 1
906 . 1 1 77 77 PRO HD3 H 1 3.684 0.030 . 2 . . . . 77 PRO HD3 . 11340 1
907 . 1 1 77 77 PRO HG2 H 1 2.015 0.030 . 2 . . . . 77 PRO HG2 . 11340 1
908 . 1 1 77 77 PRO HG3 H 1 2.076 0.030 . 2 . . . . 77 PRO HG3 . 11340 1
909 . 1 1 77 77 PRO C C 13 176.722 0.300 . 1 . . . . 77 PRO C . 11340 1
910 . 1 1 77 77 PRO CA C 13 63.611 0.300 . 1 . . . . 77 PRO CA . 11340 1
911 . 1 1 77 77 PRO CB C 13 32.331 0.300 . 1 . . . . 77 PRO CB . 11340 1
912 . 1 1 77 77 PRO CD C 13 50.398 0.300 . 1 . . . . 77 PRO CD . 11340 1
913 . 1 1 77 77 PRO CG C 13 27.704 0.300 . 1 . . . . 77 PRO CG . 11340 1
914 . 1 1 78 78 ASP H H 1 8.176 0.030 . 1 . . . . 78 ASP H . 11340 1
915 . 1 1 78 78 ASP HA H 1 4.569 0.030 . 1 . . . . 78 ASP HA . 11340 1
916 . 1 1 78 78 ASP HB2 H 1 2.407 0.030 . 2 . . . . 78 ASP HB2 . 11340 1
917 . 1 1 78 78 ASP HB3 H 1 2.546 0.030 . 2 . . . . 78 ASP HB3 . 11340 1
918 . 1 1 78 78 ASP C C 13 176.115 0.300 . 1 . . . . 78 ASP C . 11340 1
919 . 1 1 78 78 ASP CA C 13 54.580 0.300 . 1 . . . . 78 ASP CA . 11340 1
920 . 1 1 78 78 ASP CB C 13 41.836 0.300 . 1 . . . . 78 ASP CB . 11340 1
921 . 1 1 78 78 ASP N N 15 121.011 0.300 . 1 . . . . 78 ASP N . 11340 1
922 . 1 1 79 79 ASN H H 1 8.295 0.030 . 1 . . . . 79 ASN H . 11340 1
923 . 1 1 79 79 ASN HA H 1 4.635 0.030 . 1 . . . . 79 ASN HA . 11340 1
924 . 1 1 79 79 ASN HB2 H 1 2.733 0.030 . 1 . . . . 79 ASN HB2 . 11340 1
925 . 1 1 79 79 ASN HB3 H 1 2.733 0.030 . 1 . . . . 79 ASN HB3 . 11340 1
926 . 1 1 79 79 ASN HD21 H 1 7.544 0.030 . 2 . . . . 79 ASN HD21 . 11340 1
927 . 1 1 79 79 ASN HD22 H 1 6.851 0.030 . 2 . . . . 79 ASN HD22 . 11340 1
928 . 1 1 79 79 ASN C C 13 175.277 0.300 . 1 . . . . 79 ASN C . 11340 1
929 . 1 1 79 79 ASN CA C 13 53.286 0.300 . 1 . . . . 79 ASN CA . 11340 1
930 . 1 1 79 79 ASN CB C 13 38.721 0.300 . 1 . . . . 79 ASN CB . 11340 1
931 . 1 1 79 79 ASN N N 15 119.550 0.300 . 1 . . . . 79 ASN N . 11340 1
932 . 1 1 79 79 ASN ND2 N 15 112.344 0.300 . 1 . . . . 79 ASN ND2 . 11340 1
933 . 1 1 80 80 PHE H H 1 8.172 0.030 . 1 . . . . 80 PHE H . 11340 1
934 . 1 1 80 80 PHE HA H 1 4.465 0.030 . 1 . . . . 80 PHE HA . 11340 1
935 . 1 1 80 80 PHE HB2 H 1 3.063 0.030 . 2 . . . . 80 PHE HB2 . 11340 1
936 . 1 1 80 80 PHE HB3 H 1 3.142 0.030 . 2 . . . . 80 PHE HB3 . 11340 1
937 . 1 1 80 80 PHE HD1 H 1 7.213 0.030 . 1 . . . . 80 PHE HD1 . 11340 1
938 . 1 1 80 80 PHE HD2 H 1 7.213 0.030 . 1 . . . . 80 PHE HD2 . 11340 1
939 . 1 1 80 80 PHE HE1 H 1 7.300 0.030 . 1 . . . . 80 PHE HE1 . 11340 1
940 . 1 1 80 80 PHE HE2 H 1 7.300 0.030 . 1 . . . . 80 PHE HE2 . 11340 1
941 . 1 1 80 80 PHE HZ H 1 7.250 0.030 . 1 . . . . 80 PHE HZ . 11340 1
942 . 1 1 80 80 PHE C C 13 175.596 0.300 . 1 . . . . 80 PHE C . 11340 1
943 . 1 1 80 80 PHE CA C 13 58.360 0.300 . 1 . . . . 80 PHE CA . 11340 1
944 . 1 1 80 80 PHE CB C 13 39.157 0.300 . 1 . . . . 80 PHE CB . 11340 1
945 . 1 1 80 80 PHE CD1 C 13 131.908 0.300 . 1 . . . . 80 PHE CD1 . 11340 1
946 . 1 1 80 80 PHE CD2 C 13 131.908 0.300 . 1 . . . . 80 PHE CD2 . 11340 1
947 . 1 1 80 80 PHE CE1 C 13 131.355 0.300 . 1 . . . . 80 PHE CE1 . 11340 1
948 . 1 1 80 80 PHE CE2 C 13 131.355 0.300 . 1 . . . . 80 PHE CE2 . 11340 1
949 . 1 1 80 80 PHE CZ C 13 129.735 0.300 . 1 . . . . 80 PHE CZ . 11340 1
950 . 1 1 80 80 PHE N N 15 120.433 0.300 . 1 . . . . 80 PHE N . 11340 1
951 . 1 1 81 81 ALA H H 1 8.020 0.030 . 1 . . . . 81 ALA H . 11340 1
952 . 1 1 81 81 ALA HA H 1 4.217 0.030 . 1 . . . . 81 ALA HA . 11340 1
953 . 1 1 81 81 ALA HB1 H 1 1.313 0.030 . 1 . . . . 81 ALA HB . 11340 1
954 . 1 1 81 81 ALA HB2 H 1 1.313 0.030 . 1 . . . . 81 ALA HB . 11340 1
955 . 1 1 81 81 ALA HB3 H 1 1.313 0.030 . 1 . . . . 81 ALA HB . 11340 1
956 . 1 1 81 81 ALA C C 13 177.324 0.300 . 1 . . . . 81 ALA C . 11340 1
957 . 1 1 81 81 ALA CA C 13 52.512 0.300 . 1 . . . . 81 ALA CA . 11340 1
958 . 1 1 81 81 ALA CB C 13 19.184 0.300 . 1 . . . . 81 ALA CB . 11340 1
959 . 1 1 81 81 ALA N N 15 124.358 0.300 . 1 . . . . 81 ALA N . 11340 1
960 . 1 1 82 82 LYS H H 1 8.059 0.030 . 1 . . . . 82 LYS H . 11340 1
961 . 1 1 82 82 LYS HA H 1 4.229 0.030 . 1 . . . . 82 LYS HA . 11340 1
962 . 1 1 82 82 LYS HB2 H 1 1.810 0.030 . 2 . . . . 82 LYS HB2 . 11340 1
963 . 1 1 82 82 LYS HB3 H 1 1.717 0.030 . 2 . . . . 82 LYS HB3 . 11340 1
964 . 1 1 82 82 LYS HD2 H 1 1.663 0.030 . 1 . . . . 82 LYS HD2 . 11340 1
965 . 1 1 82 82 LYS HD3 H 1 1.663 0.030 . 1 . . . . 82 LYS HD3 . 11340 1
966 . 1 1 82 82 LYS HE2 H 1 2.973 0.030 . 1 . . . . 82 LYS HE2 . 11340 1
967 . 1 1 82 82 LYS HE3 H 1 2.973 0.030 . 1 . . . . 82 LYS HE3 . 11340 1
968 . 1 1 82 82 LYS HG2 H 1 1.418 0.030 . 2 . . . . 82 LYS HG2 . 11340 1
969 . 1 1 82 82 LYS HG3 H 1 1.374 0.030 . 2 . . . . 82 LYS HG3 . 11340 1
970 . 1 1 82 82 LYS C C 13 176.330 0.300 . 1 . . . . 82 LYS C . 11340 1
971 . 1 1 82 82 LYS CA C 13 56.222 0.300 . 1 . . . . 82 LYS CA . 11340 1
972 . 1 1 82 82 LYS CB C 13 32.992 0.300 . 1 . . . . 82 LYS CB . 11340 1
973 . 1 1 82 82 LYS CD C 13 29.113 0.300 . 1 . . . . 82 LYS CD . 11340 1
974 . 1 1 82 82 LYS CE C 13 42.225 0.300 . 1 . . . . 82 LYS CE . 11340 1
975 . 1 1 82 82 LYS CG C 13 24.773 0.300 . 1 . . . . 82 LYS CG . 11340 1
976 . 1 1 82 82 LYS N N 15 120.354 0.300 . 1 . . . . 82 LYS N . 11340 1
977 . 1 1 83 83 ARG H H 1 8.243 0.030 . 1 . . . . 83 ARG H . 11340 1
978 . 1 1 83 83 ARG HA H 1 4.301 0.030 . 1 . . . . 83 ARG HA . 11340 1
979 . 1 1 83 83 ARG HB2 H 1 1.801 0.030 . 2 . . . . 83 ARG HB2 . 11340 1
980 . 1 1 83 83 ARG HB3 H 1 1.723 0.030 . 2 . . . . 83 ARG HB3 . 11340 1
981 . 1 1 83 83 ARG HD2 H 1 3.132 0.030 . 1 . . . . 83 ARG HD2 . 11340 1
982 . 1 1 83 83 ARG HD3 H 1 3.132 0.030 . 1 . . . . 83 ARG HD3 . 11340 1
983 . 1 1 83 83 ARG HG2 H 1 1.581 0.030 . 1 . . . . 83 ARG HG2 . 11340 1
984 . 1 1 83 83 ARG HG3 H 1 1.581 0.030 . 1 . . . . 83 ARG HG3 . 11340 1
985 . 1 1 83 83 ARG C C 13 175.965 0.300 . 1 . . . . 83 ARG C . 11340 1
986 . 1 1 83 83 ARG CA C 13 56.008 0.300 . 1 . . . . 83 ARG CA . 11340 1
987 . 1 1 83 83 ARG CB C 13 30.890 0.300 . 1 . . . . 83 ARG CB . 11340 1
988 . 1 1 83 83 ARG CD C 13 43.381 0.300 . 1 . . . . 83 ARG CD . 11340 1
989 . 1 1 83 83 ARG CG C 13 27.158 0.300 . 1 . . . . 83 ARG CG . 11340 1
990 . 1 1 83 83 ARG N N 15 122.708 0.300 . 1 . . . . 83 ARG N . 11340 1
991 . 1 1 84 84 GLU H H 1 8.459 0.030 . 1 . . . . 84 GLU H . 11340 1
992 . 1 1 84 84 GLU HA H 1 4.276 0.030 . 1 . . . . 84 GLU HA . 11340 1
993 . 1 1 84 84 GLU HB2 H 1 2.016 0.030 . 2 . . . . 84 GLU HB2 . 11340 1
994 . 1 1 84 84 GLU HB3 H 1 1.896 0.030 . 2 . . . . 84 GLU HB3 . 11340 1
995 . 1 1 84 84 GLU HG2 H 1 2.257 0.030 . 1 . . . . 84 GLU HG2 . 11340 1
996 . 1 1 84 84 GLU HG3 H 1 2.257 0.030 . 1 . . . . 84 GLU HG3 . 11340 1
997 . 1 1 84 84 GLU C C 13 175.909 0.300 . 1 . . . . 84 GLU C . 11340 1
998 . 1 1 84 84 GLU CA C 13 56.466 0.300 . 1 . . . . 84 GLU CA . 11340 1
999 . 1 1 84 84 GLU CB C 13 30.449 0.300 . 1 . . . . 84 GLU CB . 11340 1
1000 . 1 1 84 84 GLU CG C 13 36.210 0.300 . 1 . . . . 84 GLU CG . 11340 1
1001 . 1 1 84 84 GLU N N 15 122.641 0.300 . 1 . . . . 84 GLU N . 11340 1
1002 . 1 1 85 85 ILE H H 1 8.206 0.030 . 1 . . . . 85 ILE H . 11340 1
1003 . 1 1 85 85 ILE HA H 1 4.143 0.030 . 1 . . . . 85 ILE HA . 11340 1
1004 . 1 1 85 85 ILE HB H 1 1.851 0.030 . 1 . . . . 85 ILE HB . 11340 1
1005 . 1 1 85 85 ILE HD11 H 1 0.832 0.030 . 1 . . . . 85 ILE HD1 . 11340 1
1006 . 1 1 85 85 ILE HD12 H 1 0.832 0.030 . 1 . . . . 85 ILE HD1 . 11340 1
1007 . 1 1 85 85 ILE HD13 H 1 0.832 0.030 . 1 . . . . 85 ILE HD1 . 11340 1
1008 . 1 1 85 85 ILE HG12 H 1 1.451 0.030 . 2 . . . . 85 ILE HG12 . 11340 1
1009 . 1 1 85 85 ILE HG13 H 1 1.156 0.030 . 2 . . . . 85 ILE HG13 . 11340 1
1010 . 1 1 85 85 ILE HG21 H 1 0.872 0.030 . 1 . . . . 85 ILE HG2 . 11340 1
1011 . 1 1 85 85 ILE HG22 H 1 0.872 0.030 . 1 . . . . 85 ILE HG2 . 11340 1
1012 . 1 1 85 85 ILE HG23 H 1 0.872 0.030 . 1 . . . . 85 ILE HG2 . 11340 1
1013 . 1 1 85 85 ILE C C 13 175.125 0.300 . 1 . . . . 85 ILE C . 11340 1
1014 . 1 1 85 85 ILE CA C 13 61.041 0.300 . 1 . . . . 85 ILE CA . 11340 1
1015 . 1 1 85 85 ILE CB C 13 38.637 0.300 . 1 . . . . 85 ILE CB . 11340 1
1016 . 1 1 85 85 ILE CD1 C 13 12.856 0.300 . 1 . . . . 85 ILE CD1 . 11340 1
1017 . 1 1 85 85 ILE CG1 C 13 27.200 0.300 . 1 . . . . 85 ILE CG1 . 11340 1
1018 . 1 1 85 85 ILE CG2 C 13 17.527 0.300 . 1 . . . . 85 ILE CG2 . 11340 1
1019 . 1 1 85 85 ILE N N 15 122.826 0.300 . 1 . . . . 85 ILE N . 11340 1
1020 . 1 1 86 86 LEU H H 1 7.895 0.030 . 1 . . . . 86 LEU H . 11340 1
1021 . 1 1 86 86 LEU HA H 1 4.202 0.030 . 1 . . . . 86 LEU HA . 11340 1
1022 . 1 1 86 86 LEU HB2 H 1 1.566 0.030 . 1 . . . . 86 LEU HB2 . 11340 1
1023 . 1 1 86 86 LEU HB3 H 1 1.566 0.030 . 1 . . . . 86 LEU HB3 . 11340 1
1024 . 1 1 86 86 LEU HD11 H 1 0.688 0.030 . 1 . . . . 86 LEU HD1 . 11340 1
1025 . 1 1 86 86 LEU HD12 H 1 0.688 0.030 . 1 . . . . 86 LEU HD1 . 11340 1
1026 . 1 1 86 86 LEU HD13 H 1 0.688 0.030 . 1 . . . . 86 LEU HD1 . 11340 1
1027 . 1 1 86 86 LEU HD21 H 1 0.687 0.030 . 1 . . . . 86 LEU HD2 . 11340 1
1028 . 1 1 86 86 LEU HD22 H 1 0.687 0.030 . 1 . . . . 86 LEU HD2 . 11340 1
1029 . 1 1 86 86 LEU HD23 H 1 0.687 0.030 . 1 . . . . 86 LEU HD2 . 11340 1
1030 . 1 1 86 86 LEU HG H 1 1.564 0.030 . 1 . . . . 86 LEU HG . 11340 1
1031 . 1 1 86 86 LEU C C 13 182.312 0.300 . 1 . . . . 86 LEU C . 11340 1
1032 . 1 1 86 86 LEU CA C 13 56.713 0.300 . 1 . . . . 86 LEU CA . 11340 1
1033 . 1 1 86 86 LEU CB C 13 43.479 0.300 . 1 . . . . 86 LEU CB . 11340 1
1034 . 1 1 86 86 LEU CD1 C 13 24.799 0.300 . 2 . . . . 86 LEU CD1 . 11340 1
1035 . 1 1 86 86 LEU CD2 C 13 23.231 0.300 . 2 . . . . 86 LEU CD2 . 11340 1
1036 . 1 1 86 86 LEU CG C 13 27.305 0.300 . 1 . . . . 86 LEU CG . 11340 1
1037 . 1 1 86 86 LEU N N 15 132.545 0.300 . 1 . . . . 86 LEU N . 11340 1
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