data_15948
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15948
_Entry.Title
;
1H, 13C, and 15N Chemical Shift Assignments for the RING finger of the E3 ubiquitin ligase Arkadia (RNF111)
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2008-09-10
_Entry.Accession_date 2008-09-10
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.8.116
_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 Nikolaos Kandias . G. . 15948
2 Christos Chasapis . T. . 15948
3 Vasso Episkopou . . . 15948
4 Detlef Bentrop . . . 15948
5 Georgios Spyroulias . A. . 15948
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
. . 'Department of Physiology II, University of Freiburg, Germany' . 15948
1 . 'Department of Pharmacy, University of Patras, Greece' . 15948
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 15948
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 290 15948
'15N chemical shifts' 71 15948
'1H chemical shifts' 467 15948
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
2 . . 2010-04-20 2008-09-10 update BMRB 'add related PDB ID' 15948
1 . . 2009-01-16 2008-09-10 original author 'original release' 15948
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2KIZ 'BMRB Entry Tracking System' 15948
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 15948
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 19032943
_Citation.Full_citation .
_Citation.Title 'High yield expression and NMR characterization of Arkadia E3 ubiquitin ligase RING-H2 finger domain'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.'
_Citation.Journal_name_full .
_Citation.Journal_volume 378
_Citation.Journal_issue 3
_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 498
_Citation.Page_last 502
_Citation.Year 2009
_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 Nikolaos Kandias . G. . 15948 1
2 Christos Chasapis . T. . 15948 1
3 Detlef Bentrop . . . 15948 1
4 Vasso Episkopou . . . 15948 1
5 Georgios Spyroulias . A. . 15948 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 15948
_Assembly.ID 1
_Assembly.Name 'RING Finger monomer'
_Assembly.BMRB_code .
_Assembly.Number_of_components 3
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds yes
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass 8080
_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 Finger' 1 $E3_ubiquitin_ligase_Arkadia A . yes native yes no . . . 15948 1
2 'Zinc ion, 1' 2 $ZN B . no native yes no . . . 15948 1
3 'Zinc ion, 2' 2 $ZN C . no native yes no . . . 15948 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 Finger' 1 CYS 17 17 SG . 2 'Zinc ion, 1' 2 ZN 1 1 ZN . . . . . . . . . . 15948 1
2 coordination single . 1 'RING Finger' 1 CYS 20 20 SG . 2 'Zinc ion, 1' 2 ZN 1 1 ZN . . . . . . . . . . 15948 1
3 coordination single . 1 'RING Finger' 1 HIS 40 40 ND1 . 2 'Zinc ion, 1' 2 ZN 1 1 ZN . . . . . . . . . . 15948 1
4 coordination single . 1 'RING Finger' 1 CYS 43 43 SG . 2 'Zinc ion, 1' 2 ZN 1 1 ZN . . . . . . . . . . 15948 1
5 coordination single . 1 'RING Finger' 1 CYS 35 35 SG . 3 'Zinc ion, 2' 2 ZN 1 1 ZN . . . . . . . . . . 15948 1
6 coordination single . 1 'RING Finger' 1 HIS 37 37 ND1 . 3 'Zinc ion, 2' 2 ZN 1 1 ZN . . . . . . . . . . 15948 1
7 coordination single . 1 'RING Finger' 1 CYS 54 54 SG . 3 'Zinc ion, 2' 2 ZN 1 1 ZN . . . . . . . . . . 15948 1
8 coordination single . 1 'RING Finger' 1 CYS 57 57 SG . 3 'Zinc ion, 2' 2 ZN 1 1 ZN . . . . . . . . . . 15948 1
stop_
loop_
_Entity_deleted_atom.ID
_Entity_deleted_atom.Entity_atom_list_ID
_Entity_deleted_atom.Entity_assembly_ID
_Entity_deleted_atom.Entity_ID
_Entity_deleted_atom.Comp_ID
_Entity_deleted_atom.Comp_index_ID
_Entity_deleted_atom.Seq_ID
_Entity_deleted_atom.Atom_ID
_Entity_deleted_atom.Auth_entity_assembly_ID
_Entity_deleted_atom.Auth_seq_ID
_Entity_deleted_atom.Auth_comp_ID
_Entity_deleted_atom.Auth_atom_ID
_Entity_deleted_atom.Entry_ID
_Entity_deleted_atom.Assembly_ID
. . 1 1 HIS 37 37 HD1 . 37 HIS HD1 15948 1
. . 1 1 HIS 40 40 HD1 . 40 HIS HD1 15948 1
. . 1 1 CYS 54 54 HG . 54 CYS HG 15948 1
. . 1 1 CYS 57 57 HG . 57 CYS HG 15948 1
. . 1 1 CYS 35 35 HG . 35 CYS HG 15948 1
. . 1 1 CYS 43 43 HG . 43 CYS HG 15948 1
. . 1 1 CYS 17 17 HG . 17 CYS HG 15948 1
. . 1 1 CYS 20 20 HG . 20 CYS HG 15948 1
stop_
loop_
_Assembly_bio_function.Biological_function
_Assembly_bio_function.Entry_ID
_Assembly_bio_function.Assembly_ID
'E3 Ubiquitin Ligase' 15948 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_E3_ubiquitin_ligase_Arkadia
_Entity.Sf_category entity
_Entity.Sf_framecode E3_ubiquitin_ligase_Arkadia
_Entity.Entry_ID 15948
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name E3_ubiquitin_ligase_Arkadia
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MKQDGEEGTEEDTEEKCTIC
LSILEEGEDVRRLPCMHLFH
QVCVDQWLITNKKCPICRVD
IEAQLPSES
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states yes
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 69
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all other bound'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment 'RING Finger'
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 7951.0
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-26
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2KIZ . "Solution Structure Of Arkadia Ring-h2 Finger Domain" . . . . . 98.55 69 100.00 100.00 2.80e-40 . . . . 15948 1
2 no DBJ BAC04531 . "unnamed protein product [Homo sapiens]" . . . . . 98.55 370 100.00 100.00 8.06e-40 . . . . 15948 1
3 no DBJ BAC29394 . "unnamed protein product [Mus musculus]" . . . . . 98.55 981 100.00 100.00 4.44e-38 . . . . 15948 1
4 no DBJ BAC33245 . "unnamed protein product [Mus musculus]" . . . . . 98.55 981 100.00 100.00 3.72e-38 . . . . 15948 1
5 no DBJ BAD18471 . "unnamed protein product [Homo sapiens]" . . . . . 98.55 994 98.53 100.00 5.71e-38 . . . . 15948 1
6 no DBJ BAD18633 . "unnamed protein product [Homo sapiens]" . . . . . 98.55 602 100.00 100.00 1.03e-39 . . . . 15948 1
7 no EMBL CAB75669 . "hypothetical protein [Homo sapiens]" . . . . . 98.55 178 100.00 100.00 2.07e-40 . . . . 15948 1
8 no EMBL CAD98031 . "hypothetical protein [Homo sapiens]" . . . . . 98.55 986 98.53 98.53 2.91e-37 . . . . 15948 1
9 no EMBL CAH93440 . "hypothetical protein [Pongo abelii]" . . . . . 98.55 986 100.00 100.00 2.78e-38 . . . . 15948 1
10 no GB AAH10369 . "RNF111 protein [Homo sapiens]" . . . . . 98.55 137 100.00 100.00 2.94e-40 . . . . 15948 1
11 no GB AAH20984 . "RNF111 protein, partial [Homo sapiens]" . . . . . 98.55 441 100.00 100.00 1.92e-40 . . . . 15948 1
12 no GB AAH54842 . "Rnf111 protein, partial [Mus musculus]" . . . . . 98.55 185 100.00 100.00 2.70e-40 . . . . 15948 1
13 no GB AAH60862 . "Ring finger protein 111 [Homo sapiens]" . . . . . 98.55 985 100.00 100.00 3.54e-38 . . . . 15948 1
14 no GB AAH69835 . "Rnf111 protein [Mus musculus]" . . . . . 98.55 981 100.00 100.00 4.44e-38 . . . . 15948 1
15 no REF NP_001095709 . "E3 ubiquitin-protein ligase Arkadia [Bos taurus]" . . . . . 98.55 994 100.00 100.00 3.61e-38 . . . . 15948 1
16 no REF NP_001100306 . "E3 ubiquitin-protein ligase Arkadia [Rattus norvegicus]" . . . . . 98.55 987 100.00 100.00 2.78e-38 . . . . 15948 1
17 no REF NP_001124565 . "E3 ubiquitin-protein ligase Arkadia [Pongo abelii]" . . . . . 98.55 986 100.00 100.00 2.78e-38 . . . . 15948 1
18 no REF NP_001186680 . "E3 ubiquitin-protein ligase Arkadia [Gallus gallus]" . . . . . 98.55 985 100.00 100.00 1.62e-38 . . . . 15948 1
19 no REF NP_001257457 . "E3 ubiquitin-protein ligase Arkadia isoform 1 [Homo sapiens]" . . . . . 98.55 995 100.00 100.00 3.41e-38 . . . . 15948 1
20 no SP Q5R476 . "RecName: Full=E3 ubiquitin-protein ligase Arkadia; AltName: Full=RING finger protein 111" . . . . . 98.55 986 100.00 100.00 2.78e-38 . . . . 15948 1
21 no SP Q6ZNA4 . "RecName: Full=E3 ubiquitin-protein ligase Arkadia; AltName: Full=RING finger protein 111" . . . . . 98.55 994 100.00 100.00 3.43e-38 . . . . 15948 1
22 no SP Q99ML9 . "RecName: Full=E3 ubiquitin-protein ligase Arkadia; AltName: Full=RING finger protein 111" . . . . . 98.55 989 100.00 100.00 4.18e-38 . . . . 15948 1
23 no TPG DAA25343 . "TPA: ring finger protein 111 [Bos taurus]" . . . . . 98.55 994 100.00 100.00 3.61e-38 . . . . 15948 1
stop_
loop_
_Entity_biological_function.Biological_function
_Entity_biological_function.Entry_ID
_Entity_biological_function.Entity_ID
'E3 ubiquitin ligase' 15948 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . MET . 15948 1
2 . LYS . 15948 1
3 . GLN . 15948 1
4 . ASP . 15948 1
5 . GLY . 15948 1
6 . GLU . 15948 1
7 . GLU . 15948 1
8 . GLY . 15948 1
9 . THR . 15948 1
10 . GLU . 15948 1
11 . GLU . 15948 1
12 . ASP . 15948 1
13 . THR . 15948 1
14 . GLU . 15948 1
15 . GLU . 15948 1
16 . LYS . 15948 1
17 . CYS . 15948 1
18 . THR . 15948 1
19 . ILE . 15948 1
20 . CYS . 15948 1
21 . LEU . 15948 1
22 . SER . 15948 1
23 . ILE . 15948 1
24 . LEU . 15948 1
25 . GLU . 15948 1
26 . GLU . 15948 1
27 . GLY . 15948 1
28 . GLU . 15948 1
29 . ASP . 15948 1
30 . VAL . 15948 1
31 . ARG . 15948 1
32 . ARG . 15948 1
33 . LEU . 15948 1
34 . PRO . 15948 1
35 . CYS . 15948 1
36 . MET . 15948 1
37 . HIS . 15948 1
38 . LEU . 15948 1
39 . PHE . 15948 1
40 . HIS . 15948 1
41 . GLN . 15948 1
42 . VAL . 15948 1
43 . CYS . 15948 1
44 . VAL . 15948 1
45 . ASP . 15948 1
46 . GLN . 15948 1
47 . TRP . 15948 1
48 . LEU . 15948 1
49 . ILE . 15948 1
50 . THR . 15948 1
51 . ASN . 15948 1
52 . LYS . 15948 1
53 . LYS . 15948 1
54 . CYS . 15948 1
55 . PRO . 15948 1
56 . ILE . 15948 1
57 . CYS . 15948 1
58 . ARG . 15948 1
59 . VAL . 15948 1
60 . ASP . 15948 1
61 . ILE . 15948 1
62 . GLU . 15948 1
63 . ALA . 15948 1
64 . GLN . 15948 1
65 . LEU . 15948 1
66 . PRO . 15948 1
67 . SER . 15948 1
68 . GLU . 15948 1
69 . SER . 15948 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 15948 1
. LYS 2 2 15948 1
. GLN 3 3 15948 1
. ASP 4 4 15948 1
. GLY 5 5 15948 1
. GLU 6 6 15948 1
. GLU 7 7 15948 1
. GLY 8 8 15948 1
. THR 9 9 15948 1
. GLU 10 10 15948 1
. GLU 11 11 15948 1
. ASP 12 12 15948 1
. THR 13 13 15948 1
. GLU 14 14 15948 1
. GLU 15 15 15948 1
. LYS 16 16 15948 1
. CYS 17 17 15948 1
. THR 18 18 15948 1
. ILE 19 19 15948 1
. CYS 20 20 15948 1
. LEU 21 21 15948 1
. SER 22 22 15948 1
. ILE 23 23 15948 1
. LEU 24 24 15948 1
. GLU 25 25 15948 1
. GLU 26 26 15948 1
. GLY 27 27 15948 1
. GLU 28 28 15948 1
. ASP 29 29 15948 1
. VAL 30 30 15948 1
. ARG 31 31 15948 1
. ARG 32 32 15948 1
. LEU 33 33 15948 1
. PRO 34 34 15948 1
. CYS 35 35 15948 1
. MET 36 36 15948 1
. HIS 37 37 15948 1
. LEU 38 38 15948 1
. PHE 39 39 15948 1
. HIS 40 40 15948 1
. GLN 41 41 15948 1
. VAL 42 42 15948 1
. CYS 43 43 15948 1
. VAL 44 44 15948 1
. ASP 45 45 15948 1
. GLN 46 46 15948 1
. TRP 47 47 15948 1
. LEU 48 48 15948 1
. ILE 49 49 15948 1
. THR 50 50 15948 1
. ASN 51 51 15948 1
. LYS 52 52 15948 1
. LYS 53 53 15948 1
. CYS 54 54 15948 1
. PRO 55 55 15948 1
. ILE 56 56 15948 1
. CYS 57 57 15948 1
. ARG 58 58 15948 1
. VAL 59 59 15948 1
. ASP 60 60 15948 1
. ILE 61 61 15948 1
. GLU 62 62 15948 1
. ALA 63 63 15948 1
. GLN 64 64 15948 1
. LEU 65 65 15948 1
. PRO 66 66 15948 1
. SER 67 67 15948 1
. GLU 68 68 15948 1
. SER 69 69 15948 1
stop_
save_
save_ZN
_Entity.Sf_category entity
_Entity.Sf_framecode ZN
_Entity.Entry_ID 15948
_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 . 15948 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 15948
_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 $E3_ubiquitin_ligase_Arkadia . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 15948 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 15948
_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 $E3_ubiquitin_ligase_Arkadia . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pGex-4T.1 . . . . . . 15948 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 15948
_Chem_comp.ID ZN
_Chem_comp.Provenance .
_Chem_comp.Name 'ZINC ION'
_Chem_comp.Type non-polymer
_Chem_comp.BMRB_code .
_Chem_comp.PDB_code ZN
_Chem_comp.Ambiguous_flag .
_Chem_comp.Initial_date .
_Chem_comp.Modified_date .
_Chem_comp.Release_status .
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code .
_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 ZN
_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 .
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag .
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site .
_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 Fri Feb 15 21:22:05 2008
;
_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 1.01 15948 ZN
[Zn++] SMILES CACTVS 3.341 15948 ZN
[Zn++] SMILES_CANONICAL CACTVS 3.341 15948 ZN
[Zn+2] SMILES ACDLabs 10.04 15948 ZN
[Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 15948 ZN
[Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15948 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 15948 ZN
'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15948 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 . . . . . . . . . . . . . . . 15948 ZN
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 15948
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'E3 ubiquitin ligase Arkadia' '[U-98% 13C; U-98% 15N]' 1 $assembly . . . . 1.0 . . mM 0.2 . . . 15948 1
2 Pi . . . . . . . 50 . . mM . . . . 15948 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 15948
_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' 50 . mM 15948 1
pH 6.9 0.2 pH 15948 1
pressure 1 . atm 15948 1
temperature 298 0.5 K 15948 1
stop_
save_
############################
# Computer software used #
############################
save_CARA
_Software.Sf_category software
_Software.Sf_framecode CARA
_Software.Entry_ID 15948
_Software.ID 1
_Software.Name CARA
_Software.Version 1.8.4
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Keller and Wuthrich' . . 15948 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 15948 1
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 15948
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details CryoProbe
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 15948
_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 . 600 CryoProbe . . 15948 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 15948
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1
2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1
3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1
4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1
5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1
6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1
7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1
8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1
9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1
10 '2D (HB)CB(CGCD)HDarom' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1
11 '2D 2J-edited 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1
12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1
13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15948 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 15948
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15948 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15948 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15948 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15948
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 15948 1
2 '2D 1H-13C HSQC' . . . 15948 1
3 '3D HN(CO)CA' . . . 15948 1
4 '3D HNCA' . . . 15948 1
5 '3D CBCA(CO)NH' . . . 15948 1
6 '3D HNCACB' . . . 15948 1
7 '3D HNCO' . . . 15948 1
8 '3D HCCH-TOCSY' . . . 15948 1
9 '3D HBHA(CO)NH' . . . 15948 1
10 '2D (HB)CB(CGCD)HDarom' . . . 15948 1
11 '2D 2J-edited 1H-15N HSQC' . . . 15948 1
12 '3D 1H-15N NOESY' . . . 15948 1
13 '3D 1H-13C NOESY' . . . 15948 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 $CARA . . 15948 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET HA H 1 4.380 0.020 . 1 . . . . 1 MET HA . 15948 1
2 . 1 1 1 1 MET HB2 H 1 1.907 0.020 . 1 . . . . 1 MET HB2 . 15948 1
3 . 1 1 1 1 MET HB3 H 1 1.907 0.020 . 1 . . . . 1 MET HB3 . 15948 1
4 . 1 1 1 1 MET C C 13 176.094 0.3 . 1 . . . . 1 MET C . 15948 1
5 . 1 1 1 1 MET CA C 13 55.590 0.3 . 1 . . . . 1 MET CA . 15948 1
6 . 1 1 1 1 MET CB C 13 32.129 0.3 . 1 . . . . 1 MET CB . 15948 1
7 . 1 1 2 2 LYS H H 1 8.411 0.020 . 1 . . . . 2 LYS H . 15948 1
8 . 1 1 2 2 LYS HA H 1 4.188 0.020 . 1 . . . . 2 LYS HA . 15948 1
9 . 1 1 2 2 LYS HB2 H 1 1.688 0.020 . 2 . . . . 2 LYS HB2 . 15948 1
10 . 1 1 2 2 LYS HB3 H 1 1.633 0.020 . 2 . . . . 2 LYS HB3 . 15948 1
11 . 1 1 2 2 LYS HD2 H 1 1.541 0.020 . 1 . . . . 2 LYS HD2 . 15948 1
12 . 1 1 2 2 LYS HD3 H 1 1.541 0.020 . 1 . . . . 2 LYS HD3 . 15948 1
13 . 1 1 2 2 LYS HE2 H 1 2.862 0.020 . 1 . . . . 2 LYS HE2 . 15948 1
14 . 1 1 2 2 LYS HE3 H 1 2.862 0.020 . 1 . . . . 2 LYS HE3 . 15948 1
15 . 1 1 2 2 LYS HG2 H 1 1.278 0.020 . 1 . . . . 2 LYS HG2 . 15948 1
16 . 1 1 2 2 LYS HG3 H 1 1.278 0.020 . 1 . . . . 2 LYS HG3 . 15948 1
17 . 1 1 2 2 LYS C C 13 176.533 0.3 . 1 . . . . 2 LYS C . 15948 1
18 . 1 1 2 2 LYS CA C 13 56.333 0.3 . 1 . . . . 2 LYS CA . 15948 1
19 . 1 1 2 2 LYS CB C 13 32.916 0.3 . 1 . . . . 2 LYS CB . 15948 1
20 . 1 1 2 2 LYS CD C 13 29.074 0.3 . 1 . . . . 2 LYS CD . 15948 1
21 . 1 1 2 2 LYS CE C 13 42.182 0.3 . 1 . . . . 2 LYS CE . 15948 1
22 . 1 1 2 2 LYS CG C 13 24.705 0.3 . 1 . . . . 2 LYS CG . 15948 1
23 . 1 1 2 2 LYS N N 15 123.055 0.3 . 1 . . . . 2 LYS N . 15948 1
24 . 1 1 3 3 GLN H H 1 8.572 0.020 . 1 . . . . 3 GLN H . 15948 1
25 . 1 1 3 3 GLN HA H 1 4.200 0.020 . 1 . . . . 3 GLN HA . 15948 1
26 . 1 1 3 3 GLN HB2 H 1 1.886 0.020 . 1 . . . . 3 GLN HB2 . 15948 1
27 . 1 1 3 3 GLN HB3 H 1 1.886 0.020 . 1 . . . . 3 GLN HB3 . 15948 1
28 . 1 1 3 3 GLN HG2 H 1 2.232 0.020 . 1 . . . . 3 GLN HG2 . 15948 1
29 . 1 1 3 3 GLN HG3 H 1 2.232 0.020 . 1 . . . . 3 GLN HG3 . 15948 1
30 . 1 1 3 3 GLN C C 13 175.676 0.3 . 1 . . . . 3 GLN C . 15948 1
31 . 1 1 3 3 GLN CA C 13 55.705 0.3 . 1 . . . . 3 GLN CA . 15948 1
32 . 1 1 3 3 GLN CB C 13 29.325 0.3 . 1 . . . . 3 GLN CB . 15948 1
33 . 1 1 3 3 GLN CG C 13 33.231 0.3 . 1 . . . . 3 GLN CG . 15948 1
34 . 1 1 3 3 GLN N N 15 122.171 0.3 . 1 . . . . 3 GLN N . 15948 1
35 . 1 1 4 4 ASP H H 1 8.441 0.020 . 1 . . . . 4 ASP H . 15948 1
36 . 1 1 4 4 ASP HA H 1 4.449 0.020 . 1 . . . . 4 ASP HA . 15948 1
37 . 1 1 4 4 ASP HB2 H 1 2.548 0.020 . 1 . . . . 4 ASP HB2 . 15948 1
38 . 1 1 4 4 ASP HB3 H 1 2.548 0.020 . 1 . . . . 4 ASP HB3 . 15948 1
39 . 1 1 4 4 ASP C C 13 176.699 0.3 . 1 . . . . 4 ASP C . 15948 1
40 . 1 1 4 4 ASP CA C 13 54.723 0.3 . 1 . . . . 4 ASP CA . 15948 1
41 . 1 1 4 4 ASP CB C 13 40.963 0.3 . 1 . . . . 4 ASP CB . 15948 1
42 . 1 1 4 4 ASP N N 15 121.504 0.3 . 1 . . . . 4 ASP N . 15948 1
43 . 1 1 5 5 GLY H H 1 8.390 0.020 . 1 . . . . 5 GLY H . 15948 1
44 . 1 1 5 5 GLY HA2 H 1 3.842 0.020 . 1 . . . . 5 GLY HA2 . 15948 1
45 . 1 1 5 5 GLY HA3 H 1 3.842 0.020 . 1 . . . . 5 GLY HA3 . 15948 1
46 . 1 1 5 5 GLY C C 13 174.240 0.3 . 1 . . . . 5 GLY C . 15948 1
47 . 1 1 5 5 GLY CA C 13 45.360 0.3 . 1 . . . . 5 GLY CA . 15948 1
48 . 1 1 5 5 GLY N N 15 109.485 0.3 . 1 . . . . 5 GLY N . 15948 1
49 . 1 1 6 6 GLU H H 1 8.207 0.020 . 1 . . . . 6 GLU H . 15948 1
50 . 1 1 6 6 GLU HA H 1 4.188 0.020 . 1 . . . . 6 GLU HA . 15948 1
51 . 1 1 6 6 GLU HB2 H 1 1.951 0.020 . 1 . . . . 6 GLU HB2 . 15948 1
52 . 1 1 6 6 GLU HB3 H 1 1.951 0.020 . 1 . . . . 6 GLU HB3 . 15948 1
53 . 1 1 6 6 GLU HG2 H 1 1.947 0.020 . 1 . . . . 6 GLU HG2 . 15948 1
54 . 1 1 6 6 GLU HG3 H 1 1.947 0.020 . 1 . . . . 6 GLU HG3 . 15948 1
55 . 1 1 6 6 GLU C C 13 176.598 0.3 . 1 . . . . 6 GLU C . 15948 1
56 . 1 1 6 6 GLU CA C 13 56.314 0.3 . 1 . . . . 6 GLU CA . 15948 1
57 . 1 1 6 6 GLU CB C 13 30.305 0.3 . 1 . . . . 6 GLU CB . 15948 1
58 . 1 1 6 6 GLU CG C 13 36.380 0.3 . 1 . . . . 6 GLU CG . 15948 1
59 . 1 1 6 6 GLU N N 15 120.389 0.3 . 1 . . . . 6 GLU N . 15948 1
60 . 1 1 7 7 GLU H H 1 8.622 0.020 . 1 . . . . 7 GLU H . 15948 1
61 . 1 1 7 7 GLU HA H 1 4.176 0.020 . 1 . . . . 7 GLU HA . 15948 1
62 . 1 1 7 7 GLU HB2 H 1 1.877 0.020 . 1 . . . . 7 GLU HB2 . 15948 1
63 . 1 1 7 7 GLU HB3 H 1 1.877 0.020 . 1 . . . . 7 GLU HB3 . 15948 1
64 . 1 1 7 7 GLU HG2 H 1 2.139 0.020 . 1 . . . . 7 GLU HG2 . 15948 1
65 . 1 1 7 7 GLU HG3 H 1 2.139 0.020 . 1 . . . . 7 GLU HG3 . 15948 1
66 . 1 1 7 7 GLU C C 13 177.021 0.3 . 1 . . . . 7 GLU C . 15948 1
67 . 1 1 7 7 GLU CA C 13 56.869 0.3 . 1 . . . . 7 GLU CA . 15948 1
68 . 1 1 7 7 GLU CB C 13 30.144 0.3 . 1 . . . . 7 GLU CB . 15948 1
69 . 1 1 7 7 GLU CG C 13 36.360 0.3 . 1 . . . . 7 GLU CG . 15948 1
70 . 1 1 7 7 GLU N N 15 122.143 0.3 . 1 . . . . 7 GLU N . 15948 1
71 . 1 1 8 8 GLY H H 1 8.526 0.020 . 1 . . . . 8 GLY H . 15948 1
72 . 1 1 8 8 GLY HA2 H 1 3.906 0.020 . 1 . . . . 8 GLY HA2 . 15948 1
73 . 1 1 8 8 GLY HA3 H 1 3.906 0.020 . 1 . . . . 8 GLY HA3 . 15948 1
74 . 1 1 8 8 GLY C C 13 174.240 0.3 . 1 . . . . 8 GLY C . 15948 1
75 . 1 1 8 8 GLY CA C 13 45.273 0.3 . 1 . . . . 8 GLY CA . 15948 1
76 . 1 1 8 8 GLY N N 15 110.257 0.3 . 1 . . . . 8 GLY N . 15948 1
77 . 1 1 9 9 THR H H 1 8.100 0.020 . 1 . . . . 9 THR H . 15948 1
78 . 1 1 9 9 THR HA H 1 4.192 0.020 . 1 . . . . 9 THR HA . 15948 1
79 . 1 1 9 9 THR HB H 1 4.133 0.020 . 1 . . . . 9 THR HB . 15948 1
80 . 1 1 9 9 THR HG21 H 1 1.153 0.020 . 1 . . . . 9 THR HG2 . 15948 1
81 . 1 1 9 9 THR HG22 H 1 1.153 0.020 . 1 . . . . 9 THR HG2 . 15948 1
82 . 1 1 9 9 THR HG23 H 1 1.153 0.020 . 1 . . . . 9 THR HG2 . 15948 1
83 . 1 1 9 9 THR C C 13 174.663 0.3 . 1 . . . . 9 THR C . 15948 1
84 . 1 1 9 9 THR CA C 13 61.560 0.3 . 1 . . . . 9 THR CA . 15948 1
85 . 1 1 9 9 THR CB C 13 69.920 0.3 . 1 . . . . 9 THR CB . 15948 1
86 . 1 1 9 9 THR CG2 C 13 21.601 0.3 . 1 . . . . 9 THR CG2 . 15948 1
87 . 1 1 9 9 THR N N 15 113.245 0.3 . 1 . . . . 9 THR N . 15948 1
88 . 1 1 10 10 GLU H H 1 8.603 0.020 . 1 . . . . 10 GLU H . 15948 1
89 . 1 1 10 10 GLU HA H 1 4.267 0.020 . 1 . . . . 10 GLU HA . 15948 1
90 . 1 1 10 10 GLU HB2 H 1 1.825 0.020 . 1 . . . . 10 GLU HB2 . 15948 1
91 . 1 1 10 10 GLU HB3 H 1 1.825 0.020 . 1 . . . . 10 GLU HB3 . 15948 1
92 . 1 1 10 10 GLU HG2 H 1 2.145 0.020 . 1 . . . . 10 GLU HG2 . 15948 1
93 . 1 1 10 10 GLU HG3 H 1 2.145 0.020 . 1 . . . . 10 GLU HG3 . 15948 1
94 . 1 1 10 10 GLU CA C 13 56.605 0.3 . 1 . . . . 10 GLU CA . 15948 1
95 . 1 1 10 10 GLU CB C 13 30.081 0.3 . 1 . . . . 10 GLU CB . 15948 1
96 . 1 1 10 10 GLU CG C 13 36.367 0.3 . 1 . . . . 10 GLU CG . 15948 1
97 . 1 1 10 10 GLU N N 15 123.301 0.3 . 1 . . . . 10 GLU N . 15948 1
98 . 1 1 11 11 GLU HA H 1 4.158 0.020 . 1 . . . . 11 GLU HA . 15948 1
99 . 1 1 11 11 GLU HB2 H 1 1.849 0.020 . 1 . . . . 11 GLU HB2 . 15948 1
100 . 1 1 11 11 GLU HB3 H 1 1.849 0.020 . 1 . . . . 11 GLU HB3 . 15948 1
101 . 1 1 11 11 GLU HG2 H 1 2.137 0.020 . 1 . . . . 11 GLU HG2 . 15948 1
102 . 1 1 11 11 GLU HG3 H 1 2.137 0.020 . 1 . . . . 11 GLU HG3 . 15948 1
103 . 1 1 11 11 GLU C C 13 176.130 0.3 . 1 . . . . 11 GLU C . 15948 1
104 . 1 1 11 11 GLU CA C 13 56.483 0.3 . 1 . . . . 11 GLU CA . 15948 1
105 . 1 1 11 11 GLU CB C 13 30.338 0.3 . 1 . . . . 11 GLU CB . 15948 1
106 . 1 1 11 11 GLU CG C 13 36.373 0.3 . 1 . . . . 11 GLU CG . 15948 1
107 . 1 1 12 12 ASP H H 1 8.456 0.020 . 1 . . . . 12 ASP H . 15948 1
108 . 1 1 12 12 ASP HA H 1 4.555 0.020 . 1 . . . . 12 ASP HA . 15948 1
109 . 1 1 12 12 ASP HB2 H 1 2.509 0.020 . 1 . . . . 12 ASP HB2 . 15948 1
110 . 1 1 12 12 ASP HB3 H 1 2.509 0.020 . 1 . . . . 12 ASP HB3 . 15948 1
111 . 1 1 12 12 ASP C C 13 176.416 0.3 . 1 . . . . 12 ASP C . 15948 1
112 . 1 1 12 12 ASP CA C 13 54.237 0.3 . 1 . . . . 12 ASP CA . 15948 1
113 . 1 1 12 12 ASP CB C 13 41.061 0.3 . 1 . . . . 12 ASP CB . 15948 1
114 . 1 1 12 12 ASP N N 15 121.997 0.3 . 1 . . . . 12 ASP N . 15948 1
115 . 1 1 13 13 THR H H 1 8.170 0.020 . 1 . . . . 13 THR H . 15948 1
116 . 1 1 13 13 THR HA H 1 4.136 0.020 . 1 . . . . 13 THR HA . 15948 1
117 . 1 1 13 13 THR HB H 1 4.133 0.020 . 1 . . . . 13 THR HB . 15948 1
118 . 1 1 13 13 THR HG21 H 1 1.153 0.020 . 1 . . . . 13 THR HG2 . 15948 1
119 . 1 1 13 13 THR HG22 H 1 1.153 0.020 . 1 . . . . 13 THR HG2 . 15948 1
120 . 1 1 13 13 THR HG23 H 1 1.153 0.020 . 1 . . . . 13 THR HG2 . 15948 1
121 . 1 1 13 13 THR C C 13 174.510 0.3 . 1 . . . . 13 THR C . 15948 1
122 . 1 1 13 13 THR CA C 13 61.696 0.3 . 1 . . . . 13 THR CA . 15948 1
123 . 1 1 13 13 THR CB C 13 69.634 0.3 . 1 . . . . 13 THR CB . 15948 1
124 . 1 1 13 13 THR CG2 C 13 21.715 0.3 . 1 . . . . 13 THR CG2 . 15948 1
125 . 1 1 13 13 THR N N 15 114.262 0.3 . 1 . . . . 13 THR N . 15948 1
126 . 1 1 14 14 GLU H H 1 8.346 0.020 . 1 . . . . 14 GLU H . 15948 1
127 . 1 1 14 14 GLU HA H 1 4.165 0.020 . 1 . . . . 14 GLU HA . 15948 1
128 . 1 1 14 14 GLU HB2 H 1 1.815 0.020 . 1 . . . . 14 GLU HB2 . 15948 1
129 . 1 1 14 14 GLU HB3 H 1 1.815 0.020 . 1 . . . . 14 GLU HB3 . 15948 1
130 . 1 1 14 14 GLU HG2 H 1 2.127 0.020 . 1 . . . . 14 GLU HG2 . 15948 1
131 . 1 1 14 14 GLU HG3 H 1 2.127 0.020 . 1 . . . . 14 GLU HG3 . 15948 1
132 . 1 1 14 14 GLU C C 13 175.878 0.3 . 1 . . . . 14 GLU C . 15948 1
133 . 1 1 14 14 GLU CA C 13 56.336 0.3 . 1 . . . . 14 GLU CA . 15948 1
134 . 1 1 14 14 GLU CB C 13 30.288 0.3 . 1 . . . . 14 GLU CB . 15948 1
135 . 1 1 14 14 GLU CG C 13 36.382 0.3 . 1 . . . . 14 GLU CG . 15948 1
136 . 1 1 14 14 GLU N N 15 122.877 0.3 . 1 . . . . 14 GLU N . 15948 1
137 . 1 1 15 15 GLU H H 1 8.552 0.020 . 1 . . . . 15 GLU H . 15948 1
138 . 1 1 15 15 GLU HA H 1 4.180 0.020 . 1 . . . . 15 GLU HA . 15948 1
139 . 1 1 15 15 GLU HB2 H 1 1.797 0.020 . 1 . . . . 15 GLU HB2 . 15948 1
140 . 1 1 15 15 GLU HB3 H 1 1.797 0.020 . 1 . . . . 15 GLU HB3 . 15948 1
141 . 1 1 15 15 GLU HG2 H 1 2.091 0.020 . 1 . . . . 15 GLU HG2 . 15948 1
142 . 1 1 15 15 GLU HG3 H 1 2.091 0.020 . 1 . . . . 15 GLU HG3 . 15948 1
143 . 1 1 15 15 GLU C C 13 175.306 0.3 . 1 . . . . 15 GLU C . 15948 1
144 . 1 1 15 15 GLU CA C 13 56.381 0.3 . 1 . . . . 15 GLU CA . 15948 1
145 . 1 1 15 15 GLU CB C 13 30.697 0.3 . 1 . . . . 15 GLU CB . 15948 1
146 . 1 1 15 15 GLU CG C 13 36.336 0.3 . 1 . . . . 15 GLU CG . 15948 1
147 . 1 1 15 15 GLU N N 15 122.703 0.3 . 1 . . . . 15 GLU N . 15948 1
148 . 1 1 16 16 LYS H H 1 8.204 0.020 . 1 . . . . 16 LYS H . 15948 1
149 . 1 1 16 16 LYS HA H 1 4.443 0.020 . 1 . . . . 16 LYS HA . 15948 1
150 . 1 1 16 16 LYS HB2 H 1 1.261 0.020 . 1 . . . . 16 LYS HB2 . 15948 1
151 . 1 1 16 16 LYS HB3 H 1 1.261 0.020 . 1 . . . . 16 LYS HB3 . 15948 1
152 . 1 1 16 16 LYS HD2 H 1 1.335 0.020 . 1 . . . . 16 LYS HD2 . 15948 1
153 . 1 1 16 16 LYS HD3 H 1 1.335 0.020 . 1 . . . . 16 LYS HD3 . 15948 1
154 . 1 1 16 16 LYS HE2 H 1 2.711 0.020 . 1 . . . . 16 LYS HE2 . 15948 1
155 . 1 1 16 16 LYS HE3 H 1 2.711 0.020 . 1 . . . . 16 LYS HE3 . 15948 1
156 . 1 1 16 16 LYS HG2 H 1 1.059 0.020 . 2 . . . . 16 LYS HG2 . 15948 1
157 . 1 1 16 16 LYS HG3 H 1 0.909 0.020 . 2 . . . . 16 LYS HG3 . 15948 1
158 . 1 1 16 16 LYS C C 13 175.131 0.3 . 1 . . . . 16 LYS C . 15948 1
159 . 1 1 16 16 LYS CA C 13 54.542 0.3 . 1 . . . . 16 LYS CA . 15948 1
160 . 1 1 16 16 LYS CB C 13 35.183 0.3 . 1 . . . . 16 LYS CB . 15948 1
161 . 1 1 16 16 LYS CD C 13 29.289 0.3 . 1 . . . . 16 LYS CD . 15948 1
162 . 1 1 16 16 LYS CE C 13 41.992 0.3 . 1 . . . . 16 LYS CE . 15948 1
163 . 1 1 16 16 LYS CG C 13 24.943 0.3 . 1 . . . . 16 LYS CG . 15948 1
164 . 1 1 16 16 LYS N N 15 120.212 0.3 . 1 . . . . 16 LYS N . 15948 1
165 . 1 1 17 17 CYS H H 1 8.386 0.020 . 1 . . . . 17 CYS H . 15948 1
166 . 1 1 17 17 CYS HA H 1 4.345 0.020 . 1 . . . . 17 CYS HA . 15948 1
167 . 1 1 17 17 CYS HB2 H 1 3.434 0.020 . 2 . . . . 17 CYS HB2 . 15948 1
168 . 1 1 17 17 CYS HB3 H 1 2.208 0.020 . 2 . . . . 17 CYS HB3 . 15948 1
169 . 1 1 17 17 CYS C C 13 177.508 0.3 . 1 . . . . 17 CYS C . 15948 1
170 . 1 1 17 17 CYS CA C 13 58.469 0.3 . 1 . . . . 17 CYS CA . 15948 1
171 . 1 1 17 17 CYS CB C 13 31.254 0.3 . 1 . . . . 17 CYS CB . 15948 1
172 . 1 1 17 17 CYS N N 15 124.607 0.3 . 1 . . . . 17 CYS N . 15948 1
173 . 1 1 18 18 THR H H 1 8.971 0.020 . 1 . . . . 18 THR H . 15948 1
174 . 1 1 18 18 THR HA H 1 3.857 0.020 . 1 . . . . 18 THR HA . 15948 1
175 . 1 1 18 18 THR HB H 1 4.050 0.020 . 1 . . . . 18 THR HB . 15948 1
176 . 1 1 18 18 THR HG21 H 1 1.050 0.020 . 1 . . . . 18 THR HG2 . 15948 1
177 . 1 1 18 18 THR HG22 H 1 1.050 0.020 . 1 . . . . 18 THR HG2 . 15948 1
178 . 1 1 18 18 THR HG23 H 1 1.050 0.020 . 1 . . . . 18 THR HG2 . 15948 1
179 . 1 1 18 18 THR C C 13 174.171 0.3 . 1 . . . . 18 THR C . 15948 1
180 . 1 1 18 18 THR CA C 13 65.333 0.3 . 1 . . . . 18 THR CA . 15948 1
181 . 1 1 18 18 THR CB C 13 68.464 0.3 . 1 . . . . 18 THR CB . 15948 1
182 . 1 1 18 18 THR CG2 C 13 22.003 0.3 . 1 . . . . 18 THR CG2 . 15948 1
183 . 1 1 18 18 THR N N 15 122.470 0.3 . 1 . . . . 18 THR N . 15948 1
184 . 1 1 19 19 ILE H H 1 8.165 0.020 . 1 . . . . 19 ILE H . 15948 1
185 . 1 1 19 19 ILE HA H 1 3.746 0.020 . 1 . . . . 19 ILE HA . 15948 1
186 . 1 1 19 19 ILE HB H 1 1.708 0.020 . 1 . . . . 19 ILE HB . 15948 1
187 . 1 1 19 19 ILE HD11 H 1 0.098 0.020 . 1 . . . . 19 ILE HD1 . 15948 1
188 . 1 1 19 19 ILE HD12 H 1 0.098 0.020 . 1 . . . . 19 ILE HD1 . 15948 1
189 . 1 1 19 19 ILE HD13 H 1 0.098 0.020 . 1 . . . . 19 ILE HD1 . 15948 1
190 . 1 1 19 19 ILE HG12 H 1 0.273 0.020 . 1 . . . . 19 ILE HG12 . 15948 1
191 . 1 1 19 19 ILE HG13 H 1 0.273 0.020 . 1 . . . . 19 ILE HG13 . 15948 1
192 . 1 1 19 19 ILE HG21 H 1 0.924 0.020 . 1 . . . . 19 ILE HG2 . 15948 1
193 . 1 1 19 19 ILE HG22 H 1 0.924 0.020 . 1 . . . . 19 ILE HG2 . 15948 1
194 . 1 1 19 19 ILE HG23 H 1 0.924 0.020 . 1 . . . . 19 ILE HG2 . 15948 1
195 . 1 1 19 19 ILE C C 13 176.309 0.3 . 1 . . . . 19 ILE C . 15948 1
196 . 1 1 19 19 ILE CA C 13 64.557 0.3 . 1 . . . . 19 ILE CA . 15948 1
197 . 1 1 19 19 ILE CB C 13 38.495 0.3 . 1 . . . . 19 ILE CB . 15948 1
198 . 1 1 19 19 ILE CD1 C 13 13.030 0.3 . 1 . . . . 19 ILE CD1 . 15948 1
199 . 1 1 19 19 ILE CG1 C 13 28.301 0.3 . 1 . . . . 19 ILE CG1 . 15948 1
200 . 1 1 19 19 ILE CG2 C 13 16.758 0.3 . 1 . . . . 19 ILE CG2 . 15948 1
201 . 1 1 19 19 ILE N N 15 120.855 0.3 . 1 . . . . 19 ILE N . 15948 1
202 . 1 1 20 20 CYS H H 1 7.609 0.020 . 1 . . . . 20 CYS H . 15948 1
203 . 1 1 20 20 CYS HA H 1 4.789 0.020 . 1 . . . . 20 CYS HA . 15948 1
204 . 1 1 20 20 CYS HB2 H 1 3.192 0.020 . 2 . . . . 20 CYS HB2 . 15948 1
205 . 1 1 20 20 CYS HB3 H 1 3.042 0.020 . 2 . . . . 20 CYS HB3 . 15948 1
206 . 1 1 20 20 CYS C C 13 176.159 0.3 . 1 . . . . 20 CYS C . 15948 1
207 . 1 1 20 20 CYS CA C 13 58.326 0.3 . 1 . . . . 20 CYS CA . 15948 1
208 . 1 1 20 20 CYS CB C 13 31.458 0.3 . 1 . . . . 20 CYS CB . 15948 1
209 . 1 1 20 20 CYS N N 15 115.742 0.3 . 1 . . . . 20 CYS N . 15948 1
210 . 1 1 21 21 LEU H H 1 8.317 0.020 . 1 . . . . 21 LEU H . 15948 1
211 . 1 1 21 21 LEU HA H 1 3.880 0.020 . 1 . . . . 21 LEU HA . 15948 1
212 . 1 1 21 21 LEU HB2 H 1 2.050 0.020 . 2 . . . . 21 LEU HB2 . 15948 1
213 . 1 1 21 21 LEU HB3 H 1 1.572 0.020 . 2 . . . . 21 LEU HB3 . 15948 1
214 . 1 1 21 21 LEU HD11 H 1 0.782 0.020 . 1 . . . . 21 LEU HD1 . 15948 1
215 . 1 1 21 21 LEU HD12 H 1 0.782 0.020 . 1 . . . . 21 LEU HD1 . 15948 1
216 . 1 1 21 21 LEU HD13 H 1 0.782 0.020 . 1 . . . . 21 LEU HD1 . 15948 1
217 . 1 1 21 21 LEU HD21 H 1 0.705 0.020 . 1 . . . . 21 LEU HD2 . 15948 1
218 . 1 1 21 21 LEU HD22 H 1 0.705 0.020 . 1 . . . . 21 LEU HD2 . 15948 1
219 . 1 1 21 21 LEU HD23 H 1 0.705 0.020 . 1 . . . . 21 LEU HD2 . 15948 1
220 . 1 1 21 21 LEU HG H 1 1.337 0.020 . 1 . . . . 21 LEU HG . 15948 1
221 . 1 1 21 21 LEU C C 13 175.838 0.3 . 1 . . . . 21 LEU C . 15948 1
222 . 1 1 21 21 LEU CA C 13 56.904 0.3 . 1 . . . . 21 LEU CA . 15948 1
223 . 1 1 21 21 LEU CB C 13 38.286 0.3 . 1 . . . . 21 LEU CB . 15948 1
224 . 1 1 21 21 LEU CD1 C 13 25.163 0.3 . 1 . . . . 21 LEU CD1 . 15948 1
225 . 1 1 21 21 LEU CD2 C 13 23.159 0.3 . 1 . . . . 21 LEU CD2 . 15948 1
226 . 1 1 21 21 LEU CG C 13 27.215 0.3 . 1 . . . . 21 LEU CG . 15948 1
227 . 1 1 21 21 LEU N N 15 120.325 0.3 . 1 . . . . 21 LEU N . 15948 1
228 . 1 1 22 22 SER H H 1 8.546 0.020 . 1 . . . . 22 SER H . 15948 1
229 . 1 1 22 22 SER HA H 1 3.950 0.020 . 1 . . . . 22 SER HA . 15948 1
230 . 1 1 22 22 SER HB2 H 1 4.780 0.020 . 1 . . . . 22 SER HB2 . 15948 1
231 . 1 1 22 22 SER HB3 H 1 4.780 0.020 . 1 . . . . 22 SER HB3 . 15948 1
232 . 1 1 22 22 SER C C 13 173.588 0.3 . 1 . . . . 22 SER C . 15948 1
233 . 1 1 22 22 SER CA C 13 57.973 0.3 . 1 . . . . 22 SER CA . 15948 1
234 . 1 1 22 22 SER CB C 13 64.677 0.3 . 1 . . . . 22 SER CB . 15948 1
235 . 1 1 22 22 SER N N 15 116.313 0.3 . 1 . . . . 22 SER N . 15948 1
236 . 1 1 23 23 ILE H H 1 8.357 0.020 . 1 . . . . 23 ILE H . 15948 1
237 . 1 1 23 23 ILE HA H 1 3.916 0.020 . 1 . . . . 23 ILE HA . 15948 1
238 . 1 1 23 23 ILE HB H 1 1.713 0.020 . 1 . . . . 23 ILE HB . 15948 1
239 . 1 1 23 23 ILE HD11 H 1 0.710 0.020 . 1 . . . . 23 ILE HD1 . 15948 1
240 . 1 1 23 23 ILE HD12 H 1 0.710 0.020 . 1 . . . . 23 ILE HD1 . 15948 1
241 . 1 1 23 23 ILE HD13 H 1 0.710 0.020 . 1 . . . . 23 ILE HD1 . 15948 1
242 . 1 1 23 23 ILE HG12 H 1 1.411 0.020 . 2 . . . . 23 ILE HG12 . 15948 1
243 . 1 1 23 23 ILE HG13 H 1 1.034 0.020 . 2 . . . . 23 ILE HG13 . 15948 1
244 . 1 1 23 23 ILE HG21 H 1 0.759 0.020 . 1 . . . . 23 ILE HG2 . 15948 1
245 . 1 1 23 23 ILE HG22 H 1 0.759 0.020 . 1 . . . . 23 ILE HG2 . 15948 1
246 . 1 1 23 23 ILE HG23 H 1 0.759 0.020 . 1 . . . . 23 ILE HG2 . 15948 1
247 . 1 1 23 23 ILE C C 13 175.409 0.3 . 1 . . . . 23 ILE C . 15948 1
248 . 1 1 23 23 ILE CA C 13 61.941 0.3 . 1 . . . . 23 ILE CA . 15948 1
249 . 1 1 23 23 ILE CB C 13 38.827 0.3 . 1 . . . . 23 ILE CB . 15948 1
250 . 1 1 23 23 ILE CD1 C 13 13.305 0.3 . 1 . . . . 23 ILE CD1 . 15948 1
251 . 1 1 23 23 ILE CG1 C 13 28.185 0.3 . 1 . . . . 23 ILE CG1 . 15948 1
252 . 1 1 23 23 ILE CG2 C 13 17.752 0.3 . 1 . . . . 23 ILE CG2 . 15948 1
253 . 1 1 23 23 ILE N N 15 121.751 0.3 . 1 . . . . 23 ILE N . 15948 1
254 . 1 1 24 24 LEU H H 1 7.999 0.020 . 1 . . . . 24 LEU H . 15948 1
255 . 1 1 24 24 LEU HA H 1 4.148 0.020 . 1 . . . . 24 LEU HA . 15948 1
256 . 1 1 24 24 LEU HB2 H 1 1.341 0.020 . 2 . . . . 24 LEU HB2 . 15948 1
257 . 1 1 24 24 LEU HB3 H 1 0.954 0.020 . 2 . . . . 24 LEU HB3 . 15948 1
258 . 1 1 24 24 LEU HD11 H 1 -0.069 0.020 . 1 . . . . 24 LEU HD1 . 15948 1
259 . 1 1 24 24 LEU HD12 H 1 -0.069 0.020 . 1 . . . . 24 LEU HD1 . 15948 1
260 . 1 1 24 24 LEU HD13 H 1 -0.069 0.020 . 1 . . . . 24 LEU HD1 . 15948 1
261 . 1 1 24 24 LEU HD21 H 1 -0.069 0.020 . 1 . . . . 24 LEU HD2 . 15948 1
262 . 1 1 24 24 LEU HD22 H 1 -0.069 0.020 . 1 . . . . 24 LEU HD2 . 15948 1
263 . 1 1 24 24 LEU HD23 H 1 -0.069 0.020 . 1 . . . . 24 LEU HD2 . 15948 1
264 . 1 1 24 24 LEU HG H 1 1.023 0.020 . 1 . . . . 24 LEU HG . 15948 1
265 . 1 1 24 24 LEU C C 13 175.645 0.3 . 1 . . . . 24 LEU C . 15948 1
266 . 1 1 24 24 LEU CA C 13 53.974 0.3 . 1 . . . . 24 LEU CA . 15948 1
267 . 1 1 24 24 LEU CB C 13 41.149 0.3 . 1 . . . . 24 LEU CB . 15948 1
268 . 1 1 24 24 LEU CD1 C 13 23.799 0.3 . 1 . . . . 24 LEU CD1 . 15948 1
269 . 1 1 24 24 LEU CG C 13 26.233 0.3 . 1 . . . . 24 LEU CG . 15948 1
270 . 1 1 24 24 LEU N N 15 125.753 0.3 . 1 . . . . 24 LEU N . 15948 1
271 . 1 1 25 25 GLU H H 1 8.972 0.020 . 1 . . . . 25 GLU H . 15948 1
272 . 1 1 25 25 GLU HA H 1 4.336 0.020 . 1 . . . . 25 GLU HA . 15948 1
273 . 1 1 25 25 GLU HB2 H 1 1.904 0.020 . 2 . . . . 25 GLU HB2 . 15948 1
274 . 1 1 25 25 GLU HB3 H 1 1.627 0.020 . 2 . . . . 25 GLU HB3 . 15948 1
275 . 1 1 25 25 GLU HG2 H 1 2.181 0.020 . 2 . . . . 25 GLU HG2 . 15948 1
276 . 1 1 25 25 GLU HG3 H 1 2.075 0.020 . 2 . . . . 25 GLU HG3 . 15948 1
277 . 1 1 25 25 GLU C C 13 176.930 0.3 . 1 . . . . 25 GLU C . 15948 1
278 . 1 1 25 25 GLU CA C 13 54.979 0.3 . 1 . . . . 25 GLU CA . 15948 1
279 . 1 1 25 25 GLU CB C 13 31.371 0.3 . 1 . . . . 25 GLU CB . 15948 1
280 . 1 1 25 25 GLU CG C 13 36.201 0.3 . 1 . . . . 25 GLU CG . 15948 1
281 . 1 1 25 25 GLU N N 15 125.791 0.3 . 1 . . . . 25 GLU N . 15948 1
282 . 1 1 26 26 GLU H H 1 8.792 0.020 . 1 . . . . 26 GLU H . 15948 1
283 . 1 1 26 26 GLU HA H 1 3.933 0.020 . 1 . . . . 26 GLU HA . 15948 1
284 . 1 1 26 26 GLU HB2 H 1 1.860 0.020 . 1 . . . . 26 GLU HB2 . 15948 1
285 . 1 1 26 26 GLU HB3 H 1 1.860 0.020 . 1 . . . . 26 GLU HB3 . 15948 1
286 . 1 1 26 26 GLU HG2 H 1 2.148 0.020 . 1 . . . . 26 GLU HG2 . 15948 1
287 . 1 1 26 26 GLU HG3 H 1 2.148 0.020 . 1 . . . . 26 GLU HG3 . 15948 1
288 . 1 1 26 26 GLU C C 13 177.422 0.3 . 1 . . . . 26 GLU C . 15948 1
289 . 1 1 26 26 GLU CA C 13 58.232 0.3 . 1 . . . . 26 GLU CA . 15948 1
290 . 1 1 26 26 GLU CB C 13 29.236 0.3 . 1 . . . . 26 GLU CB . 15948 1
291 . 1 1 26 26 GLU CG C 13 36.084 0.3 . 1 . . . . 26 GLU CG . 15948 1
292 . 1 1 26 26 GLU N N 15 123.744 0.3 . 1 . . . . 26 GLU N . 15948 1
293 . 1 1 27 27 GLY H H 1 8.748 0.020 . 1 . . . . 27 GLY H . 15948 1
294 . 1 1 27 27 GLY HA2 H 1 4.140 0.020 . 2 . . . . 27 GLY HA2 . 15948 1
295 . 1 1 27 27 GLY HA3 H 1 3.663 0.020 . 2 . . . . 27 GLY HA3 . 15948 1
296 . 1 1 27 27 GLY C C 13 174.917 0.3 . 1 . . . . 27 GLY C . 15948 1
297 . 1 1 27 27 GLY CA C 13 45.122 0.3 . 1 . . . . 27 GLY CA . 15948 1
298 . 1 1 27 27 GLY N N 15 112.993 0.3 . 1 . . . . 27 GLY N . 15948 1
299 . 1 1 28 28 GLU H H 1 7.720 0.020 . 1 . . . . 28 GLU H . 15948 1
300 . 1 1 28 28 GLU HA H 1 4.273 0.020 . 1 . . . . 28 GLU HA . 15948 1
301 . 1 1 28 28 GLU HB2 H 1 2.224 0.020 . 2 . . . . 28 GLU HB2 . 15948 1
302 . 1 1 28 28 GLU HB3 H 1 1.867 0.020 . 2 . . . . 28 GLU HB3 . 15948 1
303 . 1 1 28 28 GLU HG2 H 1 2.146 0.020 . 1 . . . . 28 GLU HG2 . 15948 1
304 . 1 1 28 28 GLU HG3 H 1 2.146 0.020 . 1 . . . . 28 GLU HG3 . 15948 1
305 . 1 1 28 28 GLU C C 13 176.352 0.3 . 1 . . . . 28 GLU C . 15948 1
306 . 1 1 28 28 GLU CA C 13 56.346 0.3 . 1 . . . . 28 GLU CA . 15948 1
307 . 1 1 28 28 GLU CB C 13 30.955 0.3 . 1 . . . . 28 GLU CB . 15948 1
308 . 1 1 28 28 GLU CG C 13 36.317 0.3 . 1 . . . . 28 GLU CG . 15948 1
309 . 1 1 28 28 GLU N N 15 119.135 0.3 . 1 . . . . 28 GLU N . 15948 1
310 . 1 1 29 29 ASP H H 1 8.893 0.020 . 1 . . . . 29 ASP H . 15948 1
311 . 1 1 29 29 ASP HA H 1 4.717 0.020 . 1 . . . . 29 ASP HA . 15948 1
312 . 1 1 29 29 ASP HB2 H 1 2.637 0.020 . 1 . . . . 29 ASP HB2 . 15948 1
313 . 1 1 29 29 ASP HB3 H 1 2.637 0.020 . 1 . . . . 29 ASP HB3 . 15948 1
314 . 1 1 29 29 ASP C C 13 176.609 0.3 . 1 . . . . 29 ASP C . 15948 1
315 . 1 1 29 29 ASP CA C 13 54.772 0.3 . 1 . . . . 29 ASP CA . 15948 1
316 . 1 1 29 29 ASP CB C 13 40.204 0.3 . 1 . . . . 29 ASP CB . 15948 1
317 . 1 1 29 29 ASP N N 15 121.351 0.3 . 1 . . . . 29 ASP N . 15948 1
318 . 1 1 30 30 VAL H H 1 8.601 0.020 . 1 . . . . 30 VAL H . 15948 1
319 . 1 1 30 30 VAL HA H 1 4.802 0.020 . 1 . . . . 30 VAL HA . 15948 1
320 . 1 1 30 30 VAL HB H 1 1.895 0.020 . 1 . . . . 30 VAL HB . 15948 1
321 . 1 1 30 30 VAL HG11 H 1 0.671 0.020 . 1 . . . . 30 VAL HG1 . 15948 1
322 . 1 1 30 30 VAL HG12 H 1 0.671 0.020 . 1 . . . . 30 VAL HG1 . 15948 1
323 . 1 1 30 30 VAL HG13 H 1 0.671 0.020 . 1 . . . . 30 VAL HG1 . 15948 1
324 . 1 1 30 30 VAL HG21 H 1 0.752 0.020 . 1 . . . . 30 VAL HG2 . 15948 1
325 . 1 1 30 30 VAL HG22 H 1 0.752 0.020 . 1 . . . . 30 VAL HG2 . 15948 1
326 . 1 1 30 30 VAL HG23 H 1 0.752 0.020 . 1 . . . . 30 VAL HG2 . 15948 1
327 . 1 1 30 30 VAL C C 13 174.403 0.3 . 1 . . . . 30 VAL C . 15948 1
328 . 1 1 30 30 VAL CA C 13 60.325 0.3 . 1 . . . . 30 VAL CA . 15948 1
329 . 1 1 30 30 VAL CB C 13 35.187 0.3 . 1 . . . . 30 VAL CB . 15948 1
330 . 1 1 30 30 VAL CG1 C 13 22.168 0.3 . 1 . . . . 30 VAL CG1 . 15948 1
331 . 1 1 30 30 VAL CG2 C 13 18.785 0.3 . 1 . . . . 30 VAL CG2 . 15948 1
332 . 1 1 30 30 VAL N N 15 121.893 0.3 . 1 . . . . 30 VAL N . 15948 1
333 . 1 1 31 31 ARG H H 1 9.086 0.020 . 1 . . . . 31 ARG H . 15948 1
334 . 1 1 31 31 ARG HA H 1 4.488 0.020 . 1 . . . . 31 ARG HA . 15948 1
335 . 1 1 31 31 ARG HB2 H 1 1.547 0.020 . 2 . . . . 31 ARG HB2 . 15948 1
336 . 1 1 31 31 ARG HB3 H 1 1.466 0.020 . 2 . . . . 31 ARG HB3 . 15948 1
337 . 1 1 31 31 ARG HD2 H 1 3.084 0.020 . 2 . . . . 31 ARG HD2 . 15948 1
338 . 1 1 31 31 ARG HD3 H 1 2.993 0.020 . 2 . . . . 31 ARG HD3 . 15948 1
339 . 1 1 31 31 ARG HG2 H 1 1.287 0.020 . 1 . . . . 31 ARG HG2 . 15948 1
340 . 1 1 31 31 ARG HG3 H 1 1.287 0.020 . 1 . . . . 31 ARG HG3 . 15948 1
341 . 1 1 31 31 ARG C C 13 172.883 0.3 . 1 . . . . 31 ARG C . 15948 1
342 . 1 1 31 31 ARG CA C 13 54.792 0.3 . 1 . . . . 31 ARG CA . 15948 1
343 . 1 1 31 31 ARG CB C 13 33.453 0.3 . 1 . . . . 31 ARG CB . 15948 1
344 . 1 1 31 31 ARG CD C 13 43.063 0.3 . 1 . . . . 31 ARG CD . 15948 1
345 . 1 1 31 31 ARG CG C 13 27.151 0.3 . 1 . . . . 31 ARG CG . 15948 1
346 . 1 1 31 31 ARG N N 15 123.083 0.3 . 1 . . . . 31 ARG N . 15948 1
347 . 1 1 32 32 ARG H H 1 8.878 0.020 . 1 . . . . 32 ARG H . 15948 1
348 . 1 1 32 32 ARG HA H 1 4.908 0.020 . 1 . . . . 32 ARG HA . 15948 1
349 . 1 1 32 32 ARG HB2 H 1 1.666 0.020 . 2 . . . . 32 ARG HB2 . 15948 1
350 . 1 1 32 32 ARG HB3 H 1 1.480 0.020 . 2 . . . . 32 ARG HB3 . 15948 1
351 . 1 1 32 32 ARG HD2 H 1 3.077 0.020 . 2 . . . . 32 ARG HD2 . 15948 1
352 . 1 1 32 32 ARG HD3 H 1 2.978 0.020 . 2 . . . . 32 ARG HD3 . 15948 1
353 . 1 1 32 32 ARG HG2 H 1 1.214 0.020 . 1 . . . . 32 ARG HG2 . 15948 1
354 . 1 1 32 32 ARG HG3 H 1 1.214 0.020 . 1 . . . . 32 ARG HG3 . 15948 1
355 . 1 1 32 32 ARG C C 13 176.887 0.3 . 1 . . . . 32 ARG C . 15948 1
356 . 1 1 32 32 ARG CA C 13 54.287 0.3 . 1 . . . . 32 ARG CA . 15948 1
357 . 1 1 32 32 ARG CB C 13 31.558 0.3 . 1 . . . . 32 ARG CB . 15948 1
358 . 1 1 32 32 ARG CD C 13 43.621 0.3 . 1 . . . . 32 ARG CD . 15948 1
359 . 1 1 32 32 ARG CG C 13 27.932 0.3 . 1 . . . . 32 ARG CG . 15948 1
360 . 1 1 32 32 ARG N N 15 127.947 0.3 . 1 . . . . 32 ARG N . 15948 1
361 . 1 1 33 33 LEU H H 1 8.812 0.020 . 1 . . . . 33 LEU H . 15948 1
362 . 1 1 33 33 LEU HA H 1 4.637 0.020 . 1 . . . . 33 LEU HA . 15948 1
363 . 1 1 33 33 LEU HB2 H 1 2.420 0.020 . 2 . . . . 33 LEU HB2 . 15948 1
364 . 1 1 33 33 LEU HB3 H 1 1.889 0.020 . 2 . . . . 33 LEU HB3 . 15948 1
365 . 1 1 33 33 LEU HD11 H 1 1.022 0.020 . 1 . . . . 33 LEU HD1 . 15948 1
366 . 1 1 33 33 LEU HD12 H 1 1.022 0.020 . 1 . . . . 33 LEU HD1 . 15948 1
367 . 1 1 33 33 LEU HD13 H 1 1.022 0.020 . 1 . . . . 33 LEU HD1 . 15948 1
368 . 1 1 33 33 LEU HD21 H 1 0.817 0.020 . 1 . . . . 33 LEU HD2 . 15948 1
369 . 1 1 33 33 LEU HD22 H 1 0.817 0.020 . 1 . . . . 33 LEU HD2 . 15948 1
370 . 1 1 33 33 LEU HD23 H 1 0.817 0.020 . 1 . . . . 33 LEU HD2 . 15948 1
371 . 1 1 33 33 LEU HG H 1 1.961 0.020 . 1 . . . . 33 LEU HG . 15948 1
372 . 1 1 33 33 LEU CA C 13 54.030 0.3 . 1 . . . . 33 LEU CA . 15948 1
373 . 1 1 33 33 LEU CB C 13 41.107 0.3 . 1 . . . . 33 LEU CB . 15948 1
374 . 1 1 33 33 LEU CD1 C 13 25.806 0.3 . 1 . . . . 33 LEU CD1 . 15948 1
375 . 1 1 33 33 LEU CD2 C 13 21.955 0.3 . 1 . . . . 33 LEU CD2 . 15948 1
376 . 1 1 33 33 LEU CG C 13 27.612 0.3 . 1 . . . . 33 LEU CG . 15948 1
377 . 1 1 33 33 LEU N N 15 127.038 0.3 . 1 . . . . 33 LEU N . 15948 1
378 . 1 1 34 34 PRO HA H 1 4.210 0.020 . 1 . . . . 34 PRO HA . 15948 1
379 . 1 1 34 34 PRO HB2 H 1 2.324 0.020 . 2 . . . . 34 PRO HB2 . 15948 1
380 . 1 1 34 34 PRO HB3 H 1 1.877 0.020 . 2 . . . . 34 PRO HB3 . 15948 1
381 . 1 1 34 34 PRO HD2 H 1 3.847 0.020 . 1 . . . . 34 PRO HD2 . 15948 1
382 . 1 1 34 34 PRO HD3 H 1 3.847 0.020 . 1 . . . . 34 PRO HD3 . 15948 1
383 . 1 1 34 34 PRO HG2 H 1 2.211 0.020 . 2 . . . . 34 PRO HG2 . 15948 1
384 . 1 1 34 34 PRO HG3 H 1 1.978 0.020 . 2 . . . . 34 PRO HG3 . 15948 1
385 . 1 1 34 34 PRO C C 13 176.223 0.3 . 1 . . . . 34 PRO C . 15948 1
386 . 1 1 34 34 PRO CA C 13 65.824 0.3 . 1 . . . . 34 PRO CA . 15948 1
387 . 1 1 34 34 PRO CB C 13 31.563 0.3 . 1 . . . . 34 PRO CB . 15948 1
388 . 1 1 34 34 PRO CD C 13 51.077 0.3 . 1 . . . . 34 PRO CD . 15948 1
389 . 1 1 34 34 PRO CG C 13 28.281 0.3 . 1 . . . . 34 PRO CG . 15948 1
390 . 1 1 35 35 CYS H H 1 7.458 0.020 . 1 . . . . 35 CYS H . 15948 1
391 . 1 1 35 35 CYS HA H 1 4.249 0.020 . 1 . . . . 35 CYS HA . 15948 1
392 . 1 1 35 35 CYS HB2 H 1 3.023 0.020 . 2 . . . . 35 CYS HB2 . 15948 1
393 . 1 1 35 35 CYS HB3 H 1 2.503 0.020 . 2 . . . . 35 CYS HB3 . 15948 1
394 . 1 1 35 35 CYS C C 13 174.853 0.3 . 1 . . . . 35 CYS C . 15948 1
395 . 1 1 35 35 CYS CA C 13 57.968 0.3 . 1 . . . . 35 CYS CA . 15948 1
396 . 1 1 35 35 CYS CB C 13 31.080 0.3 . 1 . . . . 35 CYS CB . 15948 1
397 . 1 1 35 35 CYS N N 15 113.052 0.3 . 1 . . . . 35 CYS N . 15948 1
398 . 1 1 36 36 MET H H 1 8.271 0.020 . 1 . . . . 36 MET H . 15948 1
399 . 1 1 36 36 MET HA H 1 3.854 0.020 . 1 . . . . 36 MET HA . 15948 1
400 . 1 1 36 36 MET HB2 H 1 2.432 0.020 . 2 . . . . 36 MET HB2 . 15948 1
401 . 1 1 36 36 MET HB3 H 1 1.921 0.020 . 2 . . . . 36 MET HB3 . 15948 1
402 . 1 1 36 36 MET HG2 H 1 2.501 0.020 . 1 . . . . 36 MET HG2 . 15948 1
403 . 1 1 36 36 MET HG3 H 1 2.501 0.020 . 1 . . . . 36 MET HG3 . 15948 1
404 . 1 1 36 36 MET C C 13 176.137 0.3 . 1 . . . . 36 MET C . 15948 1
405 . 1 1 36 36 MET CA C 13 57.130 0.3 . 1 . . . . 36 MET CA . 15948 1
406 . 1 1 36 36 MET CB C 13 28.407 0.3 . 1 . . . . 36 MET CB . 15948 1
407 . 1 1 36 36 MET CG C 13 32.560 0.3 . 1 . . . . 36 MET CG . 15948 1
408 . 1 1 36 36 MET N N 15 111.994 0.3 . 1 . . . . 36 MET N . 15948 1
409 . 1 1 37 37 HIS H H 1 7.961 0.020 . 1 . . . . 37 HIS H . 15948 1
410 . 1 1 37 37 HIS HA H 1 4.382 0.020 . 1 . . . . 37 HIS HA . 15948 1
411 . 1 1 37 37 HIS HB2 H 1 3.209 0.020 . 2 . . . . 37 HIS HB2 . 15948 1
412 . 1 1 37 37 HIS HB3 H 1 2.780 0.020 . 2 . . . . 37 HIS HB3 . 15948 1
413 . 1 1 37 37 HIS HD2 H 1 7.286 0.020 . 1 . . . . 37 HIS HD2 . 15948 1
414 . 1 1 37 37 HIS HE1 H 1 7.800 0.020 . 1 . . . . 37 HIS HE1 . 15948 1
415 . 1 1 37 37 HIS C C 13 172.411 0.3 . 1 . . . . 37 HIS C . 15948 1
416 . 1 1 37 37 HIS CA C 13 60.790 0.3 . 1 . . . . 37 HIS CA . 15948 1
417 . 1 1 37 37 HIS CB C 13 31.225 0.3 . 1 . . . . 37 HIS CB . 15948 1
418 . 1 1 37 37 HIS CD2 C 13 118.858 0.3 . 1 . . . . 37 HIS CD2 . 15948 1
419 . 1 1 37 37 HIS CE1 C 13 138.000 0.3 . 1 . . . . 37 HIS CE1 . 15948 1
420 . 1 1 37 37 HIS N N 15 123.027 0.3 . 1 . . . . 37 HIS N . 15948 1
421 . 1 1 37 37 HIS ND1 N 15 219.170 0.3 . 1 . . . . 37 HIS ND1 . 15948 1
422 . 1 1 37 37 HIS NE2 N 15 169.984 0.3 . 1 . . . . 37 HIS NE2 . 15948 1
423 . 1 1 38 38 LEU H H 1 8.192 0.020 . 1 . . . . 38 LEU H . 15948 1
424 . 1 1 38 38 LEU HA H 1 4.723 0.020 . 1 . . . . 38 LEU HA . 15948 1
425 . 1 1 38 38 LEU HB2 H 1 1.285 0.020 . 2 . . . . 38 LEU HB2 . 15948 1
426 . 1 1 38 38 LEU HB3 H 1 1.033 0.020 . 2 . . . . 38 LEU HB3 . 15948 1
427 . 1 1 38 38 LEU HD11 H 1 0.566 0.020 . 1 . . . . 38 LEU HD1 . 15948 1
428 . 1 1 38 38 LEU HD12 H 1 0.566 0.020 . 1 . . . . 38 LEU HD1 . 15948 1
429 . 1 1 38 38 LEU HD13 H 1 0.566 0.020 . 1 . . . . 38 LEU HD1 . 15948 1
430 . 1 1 38 38 LEU HD21 H 1 0.566 0.020 . 1 . . . . 38 LEU HD2 . 15948 1
431 . 1 1 38 38 LEU HD22 H 1 0.566 0.020 . 1 . . . . 38 LEU HD2 . 15948 1
432 . 1 1 38 38 LEU HD23 H 1 0.566 0.020 . 1 . . . . 38 LEU HD2 . 15948 1
433 . 1 1 38 38 LEU HG H 1 1.145 0.020 . 1 . . . . 38 LEU HG . 15948 1
434 . 1 1 38 38 LEU C C 13 173.825 0.3 . 1 . . . . 38 LEU C . 15948 1
435 . 1 1 38 38 LEU CA C 13 54.175 0.3 . 1 . . . . 38 LEU CA . 15948 1
436 . 1 1 38 38 LEU CB C 13 46.461 0.3 . 1 . . . . 38 LEU CB . 15948 1
437 . 1 1 38 38 LEU CD1 C 13 24.385 0.3 . 1 . . . . 38 LEU CD1 . 15948 1
438 . 1 1 38 38 LEU CD2 C 13 24.094 0.3 . 1 . . . . 38 LEU CD2 . 15948 1
439 . 1 1 38 38 LEU CG C 13 26.138 0.3 . 1 . . . . 38 LEU CG . 15948 1
440 . 1 1 38 38 LEU N N 15 124.607 0.3 . 1 . . . . 38 LEU N . 15948 1
441 . 1 1 39 39 PHE H H 1 8.033 0.020 . 1 . . . . 39 PHE H . 15948 1
442 . 1 1 39 39 PHE HA H 1 4.815 0.020 . 1 . . . . 39 PHE HA . 15948 1
443 . 1 1 39 39 PHE HB2 H 1 2.264 0.020 . 2 . . . . 39 PHE HB2 . 15948 1
444 . 1 1 39 39 PHE HB3 H 1 3.399 0.020 . 2 . . . . 39 PHE HB3 . 15948 1
445 . 1 1 39 39 PHE HD1 H 1 7.256 0.020 . 1 . . . . 39 PHE HD1 . 15948 1
446 . 1 1 39 39 PHE HD2 H 1 7.256 0.020 . 1 . . . . 39 PHE HD2 . 15948 1
447 . 1 1 39 39 PHE HE1 H 1 7.116 0.020 . 1 . . . . 39 PHE HE1 . 15948 1
448 . 1 1 39 39 PHE HE2 H 1 7.116 0.020 . 1 . . . . 39 PHE HE2 . 15948 1
449 . 1 1 39 39 PHE HZ H 1 7.175 0.020 . 1 . . . . 39 PHE HZ . 15948 1
450 . 1 1 39 39 PHE C C 13 176.116 0.3 . 1 . . . . 39 PHE C . 15948 1
451 . 1 1 39 39 PHE CA C 13 55.715 0.3 . 1 . . . . 39 PHE CA . 15948 1
452 . 1 1 39 39 PHE CB C 13 45.719 0.3 . 1 . . . . 39 PHE CB . 15948 1
453 . 1 1 39 39 PHE CD1 C 13 131.123 0.3 . 1 . . . . 39 PHE CD1 . 15948 1
454 . 1 1 39 39 PHE CD2 C 13 131.061 0.3 . 1 . . . . 39 PHE CD2 . 15948 1
455 . 1 1 39 39 PHE CE1 C 13 129.444 0.3 . 1 . . . . 39 PHE CE1 . 15948 1
456 . 1 1 39 39 PHE CE2 C 13 129.444 0.3 . 1 . . . . 39 PHE CE2 . 15948 1
457 . 1 1 39 39 PHE N N 15 117.417 0.3 . 1 . . . . 39 PHE N . 15948 1
458 . 1 1 40 40 HIS H H 1 8.434 0.020 . 1 . . . . 40 HIS H . 15948 1
459 . 1 1 40 40 HIS HA H 1 4.582 0.020 . 1 . . . . 40 HIS HA . 15948 1
460 . 1 1 40 40 HIS HB2 H 1 3.959 0.020 . 2 . . . . 40 HIS HB2 . 15948 1
461 . 1 1 40 40 HIS HB3 H 1 3.635 0.020 . 2 . . . . 40 HIS HB3 . 15948 1
462 . 1 1 40 40 HIS HD2 H 1 6.959 0.020 . 1 . . . . 40 HIS HD2 . 15948 1
463 . 1 1 40 40 HIS HE1 H 1 7.311 0.020 . 1 . . . . 40 HIS HE1 . 15948 1
464 . 1 1 40 40 HIS HE2 H 1 12.508 0.020 . 1 . . . . 40 HIS HE2 . 15948 1
465 . 1 1 40 40 HIS C C 13 176.716 0.3 . 1 . . . . 40 HIS C . 15948 1
466 . 1 1 40 40 HIS CA C 13 60.196 0.3 . 1 . . . . 40 HIS CA . 15948 1
467 . 1 1 40 40 HIS CB C 13 30.920 0.3 . 1 . . . . 40 HIS CB . 15948 1
468 . 1 1 40 40 HIS CD2 C 13 118.500 0.3 . 1 . . . . 40 HIS CD2 . 15948 1
469 . 1 1 40 40 HIS CE1 C 13 138.000 0.3 . 1 . . . . 40 HIS CE1 . 15948 1
470 . 1 1 40 40 HIS N N 15 118.657 0.3 . 1 . . . . 40 HIS N . 15948 1
471 . 1 1 40 40 HIS ND1 N 15 224.513 0.3 . 1 . . . . 40 HIS ND1 . 15948 1
472 . 1 1 40 40 HIS NE2 N 15 173.256 0.3 . 1 . . . . 40 HIS NE2 . 15948 1
473 . 1 1 41 41 GLN H H 1 9.036 0.020 . 1 . . . . 41 GLN H . 15948 1
474 . 1 1 41 41 GLN HA H 1 3.673 0.020 . 1 . . . . 41 GLN HA . 15948 1
475 . 1 1 41 41 GLN HB2 H 1 1.916 0.020 . 2 . . . . 41 GLN HB2 . 15948 1
476 . 1 1 41 41 GLN HB3 H 1 1.697 0.020 . 2 . . . . 41 GLN HB3 . 15948 1
477 . 1 1 41 41 GLN HE21 H 1 7.848 0.020 . 1 . . . . 41 GLN HE21 . 15948 1
478 . 1 1 41 41 GLN HE22 H 1 6.779 0.020 . 1 . . . . 41 GLN HE22 . 15948 1
479 . 1 1 41 41 GLN HG2 H 1 2.125 0.020 . 1 . . . . 41 GLN HG2 . 15948 1
480 . 1 1 41 41 GLN HG3 H 1 2.125 0.020 . 1 . . . . 41 GLN HG3 . 15948 1
481 . 1 1 41 41 GLN C C 13 177.508 0.3 . 1 . . . . 41 GLN C . 15948 1
482 . 1 1 41 41 GLN CA C 13 59.944 0.3 . 1 . . . . 41 GLN CA . 15948 1
483 . 1 1 41 41 GLN CB C 13 28.317 0.3 . 1 . . . . 41 GLN CB . 15948 1
484 . 1 1 41 41 GLN CG C 13 33.260 0.3 . 1 . . . . 41 GLN CG . 15948 1
485 . 1 1 41 41 GLN N N 15 125.632 0.3 . 1 . . . . 41 GLN N . 15948 1
486 . 1 1 41 41 GLN NE2 N 15 113.235 0.3 . 1 . . . . 41 GLN NE2 . 15948 1
487 . 1 1 42 42 VAL H H 1 8.792 0.020 . 1 . . . . 42 VAL H . 15948 1
488 . 1 1 42 42 VAL HA H 1 3.888 0.020 . 1 . . . . 42 VAL HA . 15948 1
489 . 1 1 42 42 VAL HB H 1 1.962 0.020 . 1 . . . . 42 VAL HB . 15948 1
490 . 1 1 42 42 VAL HG11 H 1 0.916 0.020 . 1 . . . . 42 VAL HG1 . 15948 1
491 . 1 1 42 42 VAL HG12 H 1 0.916 0.020 . 1 . . . . 42 VAL HG1 . 15948 1
492 . 1 1 42 42 VAL HG13 H 1 0.916 0.020 . 1 . . . . 42 VAL HG1 . 15948 1
493 . 1 1 42 42 VAL HG21 H 1 0.916 0.020 . 1 . . . . 42 VAL HG2 . 15948 1
494 . 1 1 42 42 VAL HG22 H 1 0.916 0.020 . 1 . . . . 42 VAL HG2 . 15948 1
495 . 1 1 42 42 VAL HG23 H 1 0.916 0.020 . 1 . . . . 42 VAL HG2 . 15948 1
496 . 1 1 42 42 VAL C C 13 178.343 0.3 . 1 . . . . 42 VAL C . 15948 1
497 . 1 1 42 42 VAL CA C 13 65.440 0.3 . 1 . . . . 42 VAL CA . 15948 1
498 . 1 1 42 42 VAL CB C 13 31.642 0.3 . 1 . . . . 42 VAL CB . 15948 1
499 . 1 1 42 42 VAL CG1 C 13 21.586 0.3 . 1 . . . . 42 VAL CG1 . 15948 1
500 . 1 1 42 42 VAL CG2 C 13 21.586 0.3 . 1 . . . . 42 VAL CG2 . 15948 1
501 . 1 1 42 42 VAL N N 15 115.341 0.3 . 1 . . . . 42 VAL N . 15948 1
502 . 1 1 43 43 CYS H H 1 6.523 0.020 . 1 . . . . 43 CYS H . 15948 1
503 . 1 1 43 43 CYS HA H 1 3.985 0.020 . 1 . . . . 43 CYS HA . 15948 1
504 . 1 1 43 43 CYS HB2 H 1 2.951 0.020 . 2 . . . . 43 CYS HB2 . 15948 1
505 . 1 1 43 43 CYS HB3 H 1 2.882 0.020 . 2 . . . . 43 CYS HB3 . 15948 1
506 . 1 1 43 43 CYS C C 13 177.615 0.3 . 1 . . . . 43 CYS C . 15948 1
507 . 1 1 43 43 CYS CA C 13 63.188 0.3 . 1 . . . . 43 CYS CA . 15948 1
508 . 1 1 43 43 CYS CB C 13 29.052 0.3 . 1 . . . . 43 CYS CB . 15948 1
509 . 1 1 43 43 CYS N N 15 118.199 0.3 . 1 . . . . 43 CYS N . 15948 1
510 . 1 1 44 44 VAL H H 1 8.106 0.020 . 1 . . . . 44 VAL H . 15948 1
511 . 1 1 44 44 VAL HA H 1 3.684 0.020 . 1 . . . . 44 VAL HA . 15948 1
512 . 1 1 44 44 VAL HB H 1 1.724 0.020 . 1 . . . . 44 VAL HB . 15948 1
513 . 1 1 44 44 VAL HG11 H 1 0.590 0.020 . 1 . . . . 44 VAL HG1 . 15948 1
514 . 1 1 44 44 VAL HG12 H 1 0.590 0.020 . 1 . . . . 44 VAL HG1 . 15948 1
515 . 1 1 44 44 VAL HG13 H 1 0.590 0.020 . 1 . . . . 44 VAL HG1 . 15948 1
516 . 1 1 44 44 VAL HG21 H 1 0.889 0.020 . 1 . . . . 44 VAL HG2 . 15948 1
517 . 1 1 44 44 VAL HG22 H 1 0.889 0.020 . 1 . . . . 44 VAL HG2 . 15948 1
518 . 1 1 44 44 VAL HG23 H 1 0.889 0.020 . 1 . . . . 44 VAL HG2 . 15948 1
519 . 1 1 44 44 VAL C C 13 174.553 0.3 . 1 . . . . 44 VAL C . 15948 1
520 . 1 1 44 44 VAL CA C 13 64.808 0.3 . 1 . . . . 44 VAL CA . 15948 1
521 . 1 1 44 44 VAL CB C 13 31.675 0.3 . 1 . . . . 44 VAL CB . 15948 1
522 . 1 1 44 44 VAL CG1 C 13 23.890 0.3 . 1 . . . . 44 VAL CG1 . 15948 1
523 . 1 1 44 44 VAL CG2 C 13 21.023 0.3 . 1 . . . . 44 VAL CG2 . 15948 1
524 . 1 1 44 44 VAL N N 15 119.654 0.3 . 1 . . . . 44 VAL N . 15948 1
525 . 1 1 45 45 ASP H H 1 8.451 0.020 . 1 . . . . 45 ASP H . 15948 1
526 . 1 1 45 45 ASP HA H 1 4.303 0.020 . 1 . . . . 45 ASP HA . 15948 1
527 . 1 1 45 45 ASP HB2 H 1 2.735 0.020 . 2 . . . . 45 ASP HB2 . 15948 1
528 . 1 1 45 45 ASP HB3 H 1 2.457 0.020 . 2 . . . . 45 ASP HB3 . 15948 1
529 . 1 1 45 45 ASP C C 13 179.178 0.3 . 1 . . . . 45 ASP C . 15948 1
530 . 1 1 45 45 ASP CA C 13 58.116 0.3 . 1 . . . . 45 ASP CA . 15948 1
531 . 1 1 45 45 ASP CB C 13 39.682 0.3 . 1 . . . . 45 ASP CB . 15948 1
532 . 1 1 45 45 ASP N N 15 122.951 0.3 . 1 . . . . 45 ASP N . 15948 1
533 . 1 1 46 46 GLN H H 1 7.591 0.020 . 1 . . . . 46 GLN H . 15948 1
534 . 1 1 46 46 GLN HA H 1 4.028 0.020 . 1 . . . . 46 GLN HA . 15948 1
535 . 1 1 46 46 GLN HB2 H 1 2.113 0.020 . 1 . . . . 46 GLN HB2 . 15948 1
536 . 1 1 46 46 GLN HB3 H 1 2.113 0.020 . 1 . . . . 46 GLN HB3 . 15948 1
537 . 1 1 46 46 GLN HE21 H 1 7.457 0.020 . 1 . . . . 46 GLN HE21 . 15948 1
538 . 1 1 46 46 GLN HE22 H 1 6.879 0.020 . 1 . . . . 46 GLN HE22 . 15948 1
539 . 1 1 46 46 GLN HG2 H 1 2.412 0.020 . 2 . . . . 46 GLN HG2 . 15948 1
540 . 1 1 46 46 GLN HG3 H 1 2.332 0.020 . 2 . . . . 46 GLN HG3 . 15948 1
541 . 1 1 46 46 GLN C C 13 178.857 0.3 . 1 . . . . 46 GLN C . 15948 1
542 . 1 1 46 46 GLN CA C 13 58.227 0.3 . 1 . . . . 46 GLN CA . 15948 1
543 . 1 1 46 46 GLN CB C 13 28.329 0.3 . 1 . . . . 46 GLN CB . 15948 1
544 . 1 1 46 46 GLN CG C 13 34.014 0.3 . 1 . . . . 46 GLN CG . 15948 1
545 . 1 1 46 46 GLN N N 15 117.019 0.3 . 1 . . . . 46 GLN N . 15948 1
546 . 1 1 46 46 GLN NE2 N 15 111.872 0.3 . 1 . . . . 46 GLN NE2 . 15948 1
547 . 1 1 47 47 TRP H H 1 8.234 0.020 . 1 . . . . 47 TRP H . 15948 1
548 . 1 1 47 47 TRP HA H 1 4.106 0.020 . 1 . . . . 47 TRP HA . 15948 1
549 . 1 1 47 47 TRP HB2 H 1 3.383 0.020 . 2 . . . . 47 TRP HB2 . 15948 1
550 . 1 1 47 47 TRP HB3 H 1 3.269 0.020 . 2 . . . . 47 TRP HB3 . 15948 1
551 . 1 1 47 47 TRP HD1 H 1 6.748 0.020 . 1 . . . . 47 TRP HD1 . 15948 1
552 . 1 1 47 47 TRP HE1 H 1 10.151 0.020 . 1 . . . . 47 TRP HE1 . 15948 1
553 . 1 1 47 47 TRP HE3 H 1 7.620 0.020 . 1 . . . . 47 TRP HE3 . 15948 1
554 . 1 1 47 47 TRP HH2 H 1 6.814 0.020 . 1 . . . . 47 TRP HH2 . 15948 1
555 . 1 1 47 47 TRP HZ2 H 1 7.284 0.020 . 1 . . . . 47 TRP HZ2 . 15948 1
556 . 1 1 47 47 TRP HZ3 H 1 7.180 0.020 . 1 . . . . 47 TRP HZ3 . 15948 1
557 . 1 1 47 47 TRP C C 13 178.000 0.3 . 1 . . . . 47 TRP C . 15948 1
558 . 1 1 47 47 TRP CA C 13 60.634 0.3 . 1 . . . . 47 TRP CA . 15948 1
559 . 1 1 47 47 TRP CB C 13 29.707 0.3 . 1 . . . . 47 TRP CB . 15948 1
560 . 1 1 47 47 TRP CD1 C 13 125.507 0.3 . 1 . . . . 47 TRP CD1 . 15948 1
561 . 1 1 47 47 TRP CE3 C 13 120.822 0.3 . 1 . . . . 47 TRP CE3 . 15948 1
562 . 1 1 47 47 TRP CZ2 C 13 114.333 0.3 . 1 . . . . 47 TRP CZ2 . 15948 1
563 . 1 1 47 47 TRP CZ3 C 13 125.000 0.3 . 1 . . . . 47 TRP CZ3 . 15948 1
564 . 1 1 47 47 TRP N N 15 123.935 0.3 . 1 . . . . 47 TRP N . 15948 1
565 . 1 1 47 47 TRP NE1 N 15 129.525 0.3 . 1 . . . . 47 TRP NE1 . 15948 1
566 . 1 1 48 48 LEU H H 1 8.467 0.020 . 1 . . . . 48 LEU H . 15948 1
567 . 1 1 48 48 LEU HA H 1 4.486 0.020 . 1 . . . . 48 LEU HA . 15948 1
568 . 1 1 48 48 LEU HB2 H 1 1.830 0.020 . 2 . . . . 48 LEU HB2 . 15948 1
569 . 1 1 48 48 LEU HB3 H 1 1.451 0.020 . 2 . . . . 48 LEU HB3 . 15948 1
570 . 1 1 48 48 LEU HD11 H 1 0.814 0.020 . 1 . . . . 48 LEU HD1 . 15948 1
571 . 1 1 48 48 LEU HD12 H 1 0.814 0.020 . 1 . . . . 48 LEU HD1 . 15948 1
572 . 1 1 48 48 LEU HD13 H 1 0.814 0.020 . 1 . . . . 48 LEU HD1 . 15948 1
573 . 1 1 48 48 LEU HD21 H 1 0.871 0.020 . 1 . . . . 48 LEU HD2 . 15948 1
574 . 1 1 48 48 LEU HD22 H 1 0.871 0.020 . 1 . . . . 48 LEU HD2 . 15948 1
575 . 1 1 48 48 LEU HD23 H 1 0.871 0.020 . 1 . . . . 48 LEU HD2 . 15948 1
576 . 1 1 48 48 LEU HG H 1 1.910 0.020 . 1 . . . . 48 LEU HG . 15948 1
577 . 1 1 48 48 LEU C C 13 177.958 0.3 . 1 . . . . 48 LEU C . 15948 1
578 . 1 1 48 48 LEU CA C 13 55.970 0.3 . 1 . . . . 48 LEU CA . 15948 1
579 . 1 1 48 48 LEU CB C 13 42.483 0.3 . 1 . . . . 48 LEU CB . 15948 1
580 . 1 1 48 48 LEU CD1 C 13 26.020 0.3 . 1 . . . . 48 LEU CD1 . 15948 1
581 . 1 1 48 48 LEU CD2 C 13 23.337 0.3 . 1 . . . . 48 LEU CD2 . 15948 1
582 . 1 1 48 48 LEU CG C 13 27.408 0.3 . 1 . . . . 48 LEU CG . 15948 1
583 . 1 1 48 48 LEU N N 15 116.510 0.3 . 1 . . . . 48 LEU N . 15948 1
584 . 1 1 49 49 ILE H H 1 7.425 0.020 . 1 . . . . 49 ILE H . 15948 1
585 . 1 1 49 49 ILE HA H 1 3.592 0.020 . 1 . . . . 49 ILE HA . 15948 1
586 . 1 1 49 49 ILE HB H 1 1.812 0.020 . 1 . . . . 49 ILE HB . 15948 1
587 . 1 1 49 49 ILE HD11 H 1 0.798 0.020 . 1 . . . . 49 ILE HD1 . 15948 1
588 . 1 1 49 49 ILE HD12 H 1 0.798 0.020 . 1 . . . . 49 ILE HD1 . 15948 1
589 . 1 1 49 49 ILE HD13 H 1 0.798 0.020 . 1 . . . . 49 ILE HD1 . 15948 1
590 . 1 1 49 49 ILE HG12 H 1 1.080 0.020 . 1 . . . . 49 ILE HG12 . 15948 1
591 . 1 1 49 49 ILE HG13 H 1 1.080 0.020 . 1 . . . . 49 ILE HG13 . 15948 1
592 . 1 1 49 49 ILE HG21 H 1 0.800 0.020 . 1 . . . . 49 ILE HG2 . 15948 1
593 . 1 1 49 49 ILE HG22 H 1 0.800 0.020 . 1 . . . . 49 ILE HG2 . 15948 1
594 . 1 1 49 49 ILE HG23 H 1 0.800 0.020 . 1 . . . . 49 ILE HG2 . 15948 1
595 . 1 1 49 49 ILE C C 13 177.936 0.3 . 1 . . . . 49 ILE C . 15948 1
596 . 1 1 49 49 ILE CA C 13 64.817 0.3 . 1 . . . . 49 ILE CA . 15948 1
597 . 1 1 49 49 ILE CB C 13 37.442 0.3 . 1 . . . . 49 ILE CB . 15948 1
598 . 1 1 49 49 ILE CD1 C 13 12.776 0.3 . 1 . . . . 49 ILE CD1 . 15948 1
599 . 1 1 49 49 ILE CG1 C 13 28.369 0.3 . 1 . . . . 49 ILE CG1 . 15948 1
600 . 1 1 49 49 ILE CG2 C 13 17.152 0.3 . 1 . . . . 49 ILE CG2 . 15948 1
601 . 1 1 49 49 ILE N N 15 119.065 0.3 . 1 . . . . 49 ILE N . 15948 1
602 . 1 1 50 50 THR H H 1 7.052 0.020 . 1 . . . . 50 THR H . 15948 1
603 . 1 1 50 50 THR HA H 1 4.280 0.020 . 1 . . . . 50 THR HA . 15948 1
604 . 1 1 50 50 THR HB H 1 3.951 0.020 . 1 . . . . 50 THR HB . 15948 1
605 . 1 1 50 50 THR HG21 H 1 1.052 0.020 . 1 . . . . 50 THR HG2 . 15948 1
606 . 1 1 50 50 THR HG22 H 1 1.052 0.020 . 1 . . . . 50 THR HG2 . 15948 1
607 . 1 1 50 50 THR HG23 H 1 1.052 0.020 . 1 . . . . 50 THR HG2 . 15948 1
608 . 1 1 50 50 THR C C 13 174.103 0.3 . 1 . . . . 50 THR C . 15948 1
609 . 1 1 50 50 THR CA C 13 61.568 0.3 . 1 . . . . 50 THR CA . 15948 1
610 . 1 1 50 50 THR CB C 13 70.041 0.3 . 1 . . . . 50 THR CB . 15948 1
611 . 1 1 50 50 THR CG2 C 13 21.604 0.3 . 1 . . . . 50 THR CG2 . 15948 1
612 . 1 1 50 50 THR N N 15 105.373 0.3 . 1 . . . . 50 THR N . 15948 1
613 . 1 1 51 51 ASN H H 1 7.837 0.020 . 1 . . . . 51 ASN H . 15948 1
614 . 1 1 51 51 ASN HA H 1 4.465 0.020 . 1 . . . . 51 ASN HA . 15948 1
615 . 1 1 51 51 ASN HB2 H 1 1.715 0.020 . 2 . . . . 51 ASN HB2 . 15948 1
616 . 1 1 51 51 ASN HB3 H 1 1.219 0.020 . 2 . . . . 51 ASN HB3 . 15948 1
617 . 1 1 51 51 ASN C C 13 173.611 0.3 . 1 . . . . 51 ASN C . 15948 1
618 . 1 1 51 51 ASN CA C 13 53.251 0.3 . 1 . . . . 51 ASN CA . 15948 1
619 . 1 1 51 51 ASN CB C 13 40.949 0.3 . 1 . . . . 51 ASN CB . 15948 1
620 . 1 1 51 51 ASN N N 15 121.149 0.3 . 1 . . . . 51 ASN N . 15948 1
621 . 1 1 52 52 LYS H H 1 8.433 0.020 . 1 . . . . 52 LYS H . 15948 1
622 . 1 1 52 52 LYS HA H 1 4.338 0.020 . 1 . . . . 52 LYS HA . 15948 1
623 . 1 1 52 52 LYS HB2 H 1 1.956 0.020 . 2 . . . . 52 LYS HB2 . 15948 1
624 . 1 1 52 52 LYS HB3 H 1 1.613 0.020 . 2 . . . . 52 LYS HB3 . 15948 1
625 . 1 1 52 52 LYS HD2 H 1 1.462 0.020 . 1 . . . . 52 LYS HD2 . 15948 1
626 . 1 1 52 52 LYS HD3 H 1 1.462 0.020 . 1 . . . . 52 LYS HD3 . 15948 1
627 . 1 1 52 52 LYS HE2 H 1 2.793 0.020 . 1 . . . . 52 LYS HE2 . 15948 1
628 . 1 1 52 52 LYS HE3 H 1 2.793 0.020 . 1 . . . . 52 LYS HE3 . 15948 1
629 . 1 1 52 52 LYS HG2 H 1 1.262 0.020 . 1 . . . . 52 LYS HG2 . 15948 1
630 . 1 1 52 52 LYS HG3 H 1 1.262 0.020 . 1 . . . . 52 LYS HG3 . 15948 1
631 . 1 1 52 52 LYS C C 13 175.602 0.3 . 1 . . . . 52 LYS C . 15948 1
632 . 1 1 52 52 LYS CA C 13 55.411 0.3 . 1 . . . . 52 LYS CA . 15948 1
633 . 1 1 52 52 LYS CB C 13 32.367 0.3 . 1 . . . . 52 LYS CB . 15948 1
634 . 1 1 52 52 LYS CD C 13 28.815 0.3 . 1 . . . . 52 LYS CD . 15948 1
635 . 1 1 52 52 LYS CE C 13 42.280 0.3 . 1 . . . . 52 LYS CE . 15948 1
636 . 1 1 52 52 LYS CG C 13 24.915 0.3 . 1 . . . . 52 LYS CG . 15948 1
637 . 1 1 52 52 LYS N N 15 117.527 0.3 . 1 . . . . 52 LYS N . 15948 1
638 . 1 1 53 53 LYS H H 1 7.654 0.020 . 1 . . . . 53 LYS H . 15948 1
639 . 1 1 53 53 LYS HA H 1 4.899 0.020 . 1 . . . . 53 LYS HA . 15948 1
640 . 1 1 53 53 LYS HB2 H 1 1.500 0.020 . 2 . . . . 53 LYS HB2 . 15948 1
641 . 1 1 53 53 LYS HB3 H 1 1.314 0.020 . 2 . . . . 53 LYS HB3 . 15948 1
642 . 1 1 53 53 LYS HD2 H 1 1.535 0.020 . 1 . . . . 53 LYS HD2 . 15948 1
643 . 1 1 53 53 LYS HD3 H 1 1.535 0.020 . 1 . . . . 53 LYS HD3 . 15948 1
644 . 1 1 53 53 LYS HE2 H 1 2.954 0.020 . 1 . . . . 53 LYS HE2 . 15948 1
645 . 1 1 53 53 LYS HE3 H 1 2.954 0.020 . 1 . . . . 53 LYS HE3 . 15948 1
646 . 1 1 53 53 LYS HG2 H 1 1.203 0.020 . 1 . . . . 53 LYS HG2 . 15948 1
647 . 1 1 53 53 LYS HG3 H 1 1.203 0.020 . 1 . . . . 53 LYS HG3 . 15948 1
648 . 1 1 53 53 LYS C C 13 175.174 0.3 . 1 . . . . 53 LYS C . 15948 1
649 . 1 1 53 53 LYS CA C 13 54.240 0.3 . 1 . . . . 53 LYS CA . 15948 1
650 . 1 1 53 53 LYS CB C 13 36.590 0.3 . 1 . . . . 53 LYS CB . 15948 1
651 . 1 1 53 53 LYS CD C 13 29.249 0.3 . 1 . . . . 53 LYS CD . 15948 1
652 . 1 1 53 53 LYS CE C 13 42.323 0.3 . 1 . . . . 53 LYS CE . 15948 1
653 . 1 1 53 53 LYS CG C 13 25.067 0.3 . 1 . . . . 53 LYS CG . 15948 1
654 . 1 1 53 53 LYS N N 15 117.587 0.3 . 1 . . . . 53 LYS N . 15948 1
655 . 1 1 54 54 CYS H H 1 8.510 0.020 . 1 . . . . 54 CYS H . 15948 1
656 . 1 1 54 54 CYS HA H 1 4.022 0.020 . 1 . . . . 54 CYS HA . 15948 1
657 . 1 1 54 54 CYS HB2 H 1 3.024 0.020 . 1 . . . . 54 CYS HB2 . 15948 1
658 . 1 1 54 54 CYS HB3 H 1 3.024 0.020 . 1 . . . . 54 CYS HB3 . 15948 1
659 . 1 1 54 54 CYS CA C 13 57.009 0.3 . 1 . . . . 54 CYS CA . 15948 1
660 . 1 1 54 54 CYS CB C 13 31.495 0.3 . 1 . . . . 54 CYS CB . 15948 1
661 . 1 1 54 54 CYS N N 15 123.474 0.3 . 1 . . . . 54 CYS N . 15948 1
662 . 1 1 55 55 PRO HA H 1 3.943 0.020 . 1 . . . . 55 PRO HA . 15948 1
663 . 1 1 55 55 PRO HB2 H 1 1.184 0.020 . 2 . . . . 55 PRO HB2 . 15948 1
664 . 1 1 55 55 PRO HB3 H 1 0.884 0.020 . 2 . . . . 55 PRO HB3 . 15948 1
665 . 1 1 55 55 PRO HD2 H 1 3.445 0.020 . 2 . . . . 55 PRO HD2 . 15948 1
666 . 1 1 55 55 PRO HD3 H 1 2.773 0.020 . 2 . . . . 55 PRO HD3 . 15948 1
667 . 1 1 55 55 PRO HG2 H 1 -0.320 0.020 . 1 . . . . 55 PRO HG2 . 15948 1
668 . 1 1 55 55 PRO HG3 H 1 -0.320 0.020 . 1 . . . . 55 PRO HG3 . 15948 1
669 . 1 1 55 55 PRO C C 13 176.994 0.3 . 1 . . . . 55 PRO C . 15948 1
670 . 1 1 55 55 PRO CA C 13 64.502 0.3 . 1 . . . . 55 PRO CA . 15948 1
671 . 1 1 55 55 PRO CB C 13 31.719 0.3 . 1 . . . . 55 PRO CB . 15948 1
672 . 1 1 55 55 PRO CD C 13 50.440 0.3 . 1 . . . . 55 PRO CD . 15948 1
673 . 1 1 55 55 PRO CG C 13 25.500 0.3 . 1 . . . . 55 PRO CG . 15948 1
674 . 1 1 56 56 ILE H H 1 9.330 0.020 . 1 . . . . 56 ILE H . 15948 1
675 . 1 1 56 56 ILE HA H 1 3.746 0.020 . 1 . . . . 56 ILE HA . 15948 1
676 . 1 1 56 56 ILE HB H 1 0.902 0.020 . 1 . . . . 56 ILE HB . 15948 1
677 . 1 1 56 56 ILE HD11 H 1 0.483 0.020 . 1 . . . . 56 ILE HD1 . 15948 1
678 . 1 1 56 56 ILE HD12 H 1 0.483 0.020 . 1 . . . . 56 ILE HD1 . 15948 1
679 . 1 1 56 56 ILE HD13 H 1 0.483 0.020 . 1 . . . . 56 ILE HD1 . 15948 1
680 . 1 1 56 56 ILE HG12 H 1 0.773 0.020 . 1 . . . . 56 ILE HG12 . 15948 1
681 . 1 1 56 56 ILE HG13 H 1 0.773 0.020 . 1 . . . . 56 ILE HG13 . 15948 1
682 . 1 1 56 56 ILE HG21 H 1 0.292 0.020 . 1 . . . . 56 ILE HG2 . 15948 1
683 . 1 1 56 56 ILE HG22 H 1 0.292 0.020 . 1 . . . . 56 ILE HG2 . 15948 1
684 . 1 1 56 56 ILE HG23 H 1 0.292 0.020 . 1 . . . . 56 ILE HG2 . 15948 1
685 . 1 1 56 56 ILE C C 13 177.068 0.3 . 1 . . . . 56 ILE C . 15948 1
686 . 1 1 56 56 ILE CA C 13 63.524 0.3 . 1 . . . . 56 ILE CA . 15948 1
687 . 1 1 56 56 ILE CB C 13 39.443 0.3 . 1 . . . . 56 ILE CB . 15948 1
688 . 1 1 56 56 ILE CD1 C 13 13.272 0.3 . 1 . . . . 56 ILE CD1 . 15948 1
689 . 1 1 56 56 ILE CG1 C 13 28.369 0.3 . 1 . . . . 56 ILE CG1 . 15948 1
690 . 1 1 56 56 ILE CG2 C 13 16.304 0.3 . 1 . . . . 56 ILE CG2 . 15948 1
691 . 1 1 56 56 ILE N N 15 120.142 0.3 . 1 . . . . 56 ILE N . 15948 1
692 . 1 1 57 57 CYS H H 1 8.398 0.020 . 1 . . . . 57 CYS H . 15948 1
693 . 1 1 57 57 CYS HA H 1 4.784 0.020 . 1 . . . . 57 CYS HA . 15948 1
694 . 1 1 57 57 CYS HB2 H 1 3.272 0.020 . 2 . . . . 57 CYS HB2 . 15948 1
695 . 1 1 57 57 CYS HB3 H 1 2.729 0.020 . 2 . . . . 57 CYS HB3 . 15948 1
696 . 1 1 57 57 CYS C C 13 176.009 0.3 . 1 . . . . 57 CYS C . 15948 1
697 . 1 1 57 57 CYS CA C 13 58.968 0.3 . 1 . . . . 57 CYS CA . 15948 1
698 . 1 1 57 57 CYS CB C 13 31.510 0.3 . 1 . . . . 57 CYS CB . 15948 1
699 . 1 1 57 57 CYS N N 15 118.627 0.3 . 1 . . . . 57 CYS N . 15948 1
700 . 1 1 58 58 ARG H H 1 7.916 0.020 . 1 . . . . 58 ARG H . 15948 1
701 . 1 1 58 58 ARG HA H 1 3.976 0.020 . 1 . . . . 58 ARG HA . 15948 1
702 . 1 1 58 58 ARG HB2 H 1 1.966 0.020 . 1 . . . . 58 ARG HB2 . 15948 1
703 . 1 1 58 58 ARG HB3 H 1 1.966 0.020 . 1 . . . . 58 ARG HB3 . 15948 1
704 . 1 1 58 58 ARG HD2 H 1 3.079 0.020 . 1 . . . . 58 ARG HD2 . 15948 1
705 . 1 1 58 58 ARG HD3 H 1 3.079 0.020 . 1 . . . . 58 ARG HD3 . 15948 1
706 . 1 1 58 58 ARG HG2 H 1 1.412 0.020 . 1 . . . . 58 ARG HG2 . 15948 1
707 . 1 1 58 58 ARG HG3 H 1 1.412 0.020 . 1 . . . . 58 ARG HG3 . 15948 1
708 . 1 1 58 58 ARG C C 13 174.317 0.3 . 1 . . . . 58 ARG C . 15948 1
709 . 1 1 58 58 ARG CA C 13 57.962 0.3 . 1 . . . . 58 ARG CA . 15948 1
710 . 1 1 58 58 ARG CB C 13 26.532 0.3 . 1 . . . . 58 ARG CB . 15948 1
711 . 1 1 58 58 ARG CD C 13 43.026 0.3 . 1 . . . . 58 ARG CD . 15948 1
712 . 1 1 58 58 ARG CG C 13 27.339 0.3 . 1 . . . . 58 ARG CG . 15948 1
713 . 1 1 58 58 ARG N N 15 115.579 0.3 . 1 . . . . 58 ARG N . 15948 1
714 . 1 1 59 59 VAL H H 1 7.682 0.020 . 1 . . . . 59 VAL H . 15948 1
715 . 1 1 59 59 VAL HA H 1 4.047 0.020 . 1 . . . . 59 VAL HA . 15948 1
716 . 1 1 59 59 VAL HB H 1 1.997 0.020 . 1 . . . . 59 VAL HB . 15948 1
717 . 1 1 59 59 VAL HG11 H 1 0.974 0.020 . 1 . . . . 59 VAL HG1 . 15948 1
718 . 1 1 59 59 VAL HG12 H 1 0.974 0.020 . 1 . . . . 59 VAL HG1 . 15948 1
719 . 1 1 59 59 VAL HG13 H 1 0.974 0.020 . 1 . . . . 59 VAL HG1 . 15948 1
720 . 1 1 59 59 VAL HG21 H 1 0.938 0.020 . 1 . . . . 59 VAL HG2 . 15948 1
721 . 1 1 59 59 VAL HG22 H 1 0.938 0.020 . 1 . . . . 59 VAL HG2 . 15948 1
722 . 1 1 59 59 VAL HG23 H 1 0.938 0.020 . 1 . . . . 59 VAL HG2 . 15948 1
723 . 1 1 59 59 VAL C C 13 176.587 0.3 . 1 . . . . 59 VAL C . 15948 1
724 . 1 1 59 59 VAL CA C 13 62.960 0.3 . 1 . . . . 59 VAL CA . 15948 1
725 . 1 1 59 59 VAL CB C 13 32.348 0.3 . 1 . . . . 59 VAL CB . 15948 1
726 . 1 1 59 59 VAL CG1 C 13 22.957 0.3 . 1 . . . . 59 VAL CG1 . 15948 1
727 . 1 1 59 59 VAL CG2 C 13 21.273 0.3 . 1 . . . . 59 VAL CG2 . 15948 1
728 . 1 1 59 59 VAL N N 15 119.683 0.3 . 1 . . . . 59 VAL N . 15948 1
729 . 1 1 60 60 ASP H H 1 8.540 0.020 . 1 . . . . 60 ASP H . 15948 1
730 . 1 1 60 60 ASP HA H 1 4.491 0.020 . 1 . . . . 60 ASP HA . 15948 1
731 . 1 1 60 60 ASP HB2 H 1 2.574 0.020 . 2 . . . . 60 ASP HB2 . 15948 1
732 . 1 1 60 60 ASP HB3 H 1 2.394 0.020 . 2 . . . . 60 ASP HB3 . 15948 1
733 . 1 1 60 60 ASP C C 13 176.437 0.3 . 1 . . . . 60 ASP C . 15948 1
734 . 1 1 60 60 ASP CA C 13 55.879 0.3 . 1 . . . . 60 ASP CA . 15948 1
735 . 1 1 60 60 ASP CB C 13 41.332 0.3 . 1 . . . . 60 ASP CB . 15948 1
736 . 1 1 60 60 ASP N N 15 126.513 0.3 . 1 . . . . 60 ASP N . 15948 1
737 . 1 1 61 61 ILE H H 1 8.325 0.020 . 1 . . . . 61 ILE H . 15948 1
738 . 1 1 61 61 ILE HA H 1 3.968 0.020 . 1 . . . . 61 ILE HA . 15948 1
739 . 1 1 61 61 ILE HB H 1 1.659 0.020 . 1 . . . . 61 ILE HB . 15948 1
740 . 1 1 61 61 ILE HD11 H 1 0.701 0.020 . 1 . . . . 61 ILE HD1 . 15948 1
741 . 1 1 61 61 ILE HD12 H 1 0.701 0.020 . 1 . . . . 61 ILE HD1 . 15948 1
742 . 1 1 61 61 ILE HD13 H 1 0.701 0.020 . 1 . . . . 61 ILE HD1 . 15948 1
743 . 1 1 61 61 ILE HG12 H 1 1.412 0.020 . 1 . . . . 61 ILE HG12 . 15948 1
744 . 1 1 61 61 ILE HG13 H 1 1.412 0.020 . 1 . . . . 61 ILE HG13 . 15948 1
745 . 1 1 61 61 ILE HG21 H 1 0.843 0.020 . 1 . . . . 61 ILE HG2 . 15948 1
746 . 1 1 61 61 ILE HG22 H 1 0.843 0.020 . 1 . . . . 61 ILE HG2 . 15948 1
747 . 1 1 61 61 ILE HG23 H 1 0.843 0.020 . 1 . . . . 61 ILE HG2 . 15948 1
748 . 1 1 61 61 ILE C C 13 176.000 0.3 . 1 . . . . 61 ILE C . 15948 1
749 . 1 1 61 61 ILE CA C 13 62.294 0.3 . 1 . . . . 61 ILE CA . 15948 1
750 . 1 1 61 61 ILE CB C 13 38.483 0.3 . 1 . . . . 61 ILE CB . 15948 1
751 . 1 1 61 61 ILE CD1 C 13 13.886 0.3 . 1 . . . . 61 ILE CD1 . 15948 1
752 . 1 1 61 61 ILE CG1 C 13 28.159 0.3 . 1 . . . . 61 ILE CG1 . 15948 1
753 . 1 1 61 61 ILE CG2 C 13 17.875 0.3 . 1 . . . . 61 ILE CG2 . 15948 1
754 . 1 1 61 61 ILE N N 15 122.387 0.3 . 1 . . . . 61 ILE N . 15948 1
755 . 1 1 62 62 GLU H H 1 8.466 0.020 . 1 . . . . 62 GLU H . 15948 1
756 . 1 1 62 62 GLU HA H 1 4.265 0.020 . 1 . . . . 62 GLU HA . 15948 1
757 . 1 1 62 62 GLU HB2 H 1 1.838 0.020 . 1 . . . . 62 GLU HB2 . 15948 1
758 . 1 1 62 62 GLU HB3 H 1 1.838 0.020 . 1 . . . . 62 GLU HB3 . 15948 1
759 . 1 1 62 62 GLU HG2 H 1 2.139 0.020 . 1 . . . . 62 GLU HG2 . 15948 1
760 . 1 1 62 62 GLU HG3 H 1 2.139 0.020 . 1 . . . . 62 GLU HG3 . 15948 1
761 . 1 1 62 62 GLU C C 13 175.838 0.3 . 1 . . . . 62 GLU C . 15948 1
762 . 1 1 62 62 GLU CA C 13 56.441 0.3 . 1 . . . . 62 GLU CA . 15948 1
763 . 1 1 62 62 GLU CB C 13 30.285 0.3 . 1 . . . . 62 GLU CB . 15948 1
764 . 1 1 62 62 GLU CG C 13 36.379 0.3 . 1 . . . . 62 GLU CG . 15948 1
765 . 1 1 62 62 GLU N N 15 122.256 0.3 . 1 . . . . 62 GLU N . 15948 1
766 . 1 1 63 63 ALA H H 1 8.245 0.020 . 1 . . . . 63 ALA H . 15948 1
767 . 1 1 63 63 ALA HA H 1 4.149 0.020 . 1 . . . . 63 ALA HA . 15948 1
768 . 1 1 63 63 ALA HB1 H 1 1.258 0.020 . 1 . . . . 63 ALA HB . 15948 1
769 . 1 1 63 63 ALA HB2 H 1 1.258 0.020 . 1 . . . . 63 ALA HB . 15948 1
770 . 1 1 63 63 ALA HB3 H 1 1.258 0.020 . 1 . . . . 63 ALA HB . 15948 1
771 . 1 1 63 63 ALA C C 13 177.422 0.3 . 1 . . . . 63 ALA C . 15948 1
772 . 1 1 63 63 ALA CA C 13 52.485 0.3 . 1 . . . . 63 ALA CA . 15948 1
773 . 1 1 63 63 ALA CB C 13 19.247 0.3 . 1 . . . . 63 ALA CB . 15948 1
774 . 1 1 63 63 ALA N N 15 124.987 0.3 . 1 . . . . 63 ALA N . 15948 1
775 . 1 1 64 64 GLN H H 1 8.398 0.020 . 1 . . . . 64 GLN H . 15948 1
776 . 1 1 64 64 GLN HA H 1 4.199 0.020 . 1 . . . . 64 GLN HA . 15948 1
777 . 1 1 64 64 GLN HB2 H 1 1.872 0.020 . 1 . . . . 64 GLN HB2 . 15948 1
778 . 1 1 64 64 GLN HB3 H 1 1.872 0.020 . 1 . . . . 64 GLN HB3 . 15948 1
779 . 1 1 64 64 GLN HE21 H 1 7.574 0.020 . 1 . . . . 64 GLN HE21 . 15948 1
780 . 1 1 64 64 GLN HE22 H 1 6.881 0.020 . 1 . . . . 64 GLN HE22 . 15948 1
781 . 1 1 64 64 GLN HG2 H 1 2.232 0.020 . 1 . . . . 64 GLN HG2 . 15948 1
782 . 1 1 64 64 GLN HG3 H 1 2.232 0.020 . 1 . . . . 64 GLN HG3 . 15948 1
783 . 1 1 64 64 GLN C C 13 175.709 0.3 . 1 . . . . 64 GLN C . 15948 1
784 . 1 1 64 64 GLN CA C 13 55.293 0.3 . 1 . . . . 64 GLN CA . 15948 1
785 . 1 1 64 64 GLN CB C 13 29.509 0.3 . 1 . . . . 64 GLN CB . 15948 1
786 . 1 1 64 64 GLN CG C 13 33.846 0.3 . 1 . . . . 64 GLN CG . 15948 1
787 . 1 1 64 64 GLN N N 15 119.772 0.3 . 1 . . . . 64 GLN N . 15948 1
788 . 1 1 64 64 GLN NE2 N 15 112.911 0.3 . 1 . . . . 64 GLN NE2 . 15948 1
789 . 1 1 65 65 LEU H H 1 8.407 0.020 . 1 . . . . 65 LEU H . 15948 1
790 . 1 1 65 65 LEU HA H 1 4.586 0.020 . 1 . . . . 65 LEU HA . 15948 1
791 . 1 1 65 65 LEU HB2 H 1 1.468 0.020 . 1 . . . . 65 LEU HB2 . 15948 1
792 . 1 1 65 65 LEU HB3 H 1 1.468 0.020 . 1 . . . . 65 LEU HB3 . 15948 1
793 . 1 1 65 65 LEU HD11 H 1 0.817 0.020 . 1 . . . . 65 LEU HD1 . 15948 1
794 . 1 1 65 65 LEU HD12 H 1 0.817 0.020 . 1 . . . . 65 LEU HD1 . 15948 1
795 . 1 1 65 65 LEU HD13 H 1 0.817 0.020 . 1 . . . . 65 LEU HD1 . 15948 1
796 . 1 1 65 65 LEU HD21 H 1 0.790 0.020 . 1 . . . . 65 LEU HD2 . 15948 1
797 . 1 1 65 65 LEU HD22 H 1 0.790 0.020 . 1 . . . . 65 LEU HD2 . 15948 1
798 . 1 1 65 65 LEU HD23 H 1 0.790 0.020 . 1 . . . . 65 LEU HD2 . 15948 1
799 . 1 1 65 65 LEU HG H 1 1.568 0.020 . 1 . . . . 65 LEU HG . 15948 1
800 . 1 1 65 65 LEU CA C 13 53.044 0.3 . 1 . . . . 65 LEU CA . 15948 1
801 . 1 1 65 65 LEU CB C 13 41.416 0.3 . 1 . . . . 65 LEU CB . 15948 1
802 . 1 1 65 65 LEU CD1 C 13 25.135 0.3 . 1 . . . . 65 LEU CD1 . 15948 1
803 . 1 1 65 65 LEU CD2 C 13 23.337 0.3 . 1 . . . . 65 LEU CD2 . 15948 1
804 . 1 1 65 65 LEU CG C 13 27.145 0.3 . 1 . . . . 65 LEU CG . 15948 1
805 . 1 1 65 65 LEU N N 15 125.450 0.3 . 1 . . . . 65 LEU N . 15948 1
806 . 1 1 66 66 PRO HA H 1 4.335 0.020 . 1 . . . . 66 PRO HA . 15948 1
807 . 1 1 66 66 PRO HB2 H 1 2.201 0.020 . 2 . . . . 66 PRO HB2 . 15948 1
808 . 1 1 66 66 PRO HB3 H 1 1.827 0.020 . 2 . . . . 66 PRO HB3 . 15948 1
809 . 1 1 66 66 PRO HD2 H 1 3.731 0.020 . 2 . . . . 66 PRO HD2 . 15948 1
810 . 1 1 66 66 PRO HD3 H 1 3.538 0.020 . 2 . . . . 66 PRO HD3 . 15948 1
811 . 1 1 66 66 PRO HG2 H 1 1.921 0.020 . 1 . . . . 66 PRO HG2 . 15948 1
812 . 1 1 66 66 PRO HG3 H 1 1.921 0.020 . 1 . . . . 66 PRO HG3 . 15948 1
813 . 1 1 66 66 PRO C C 13 176.919 0.3 . 1 . . . . 66 PRO C . 15948 1
814 . 1 1 66 66 PRO CA C 13 63.124 0.3 . 1 . . . . 66 PRO CA . 15948 1
815 . 1 1 66 66 PRO CB C 13 31.963 0.3 . 1 . . . . 66 PRO CB . 15948 1
816 . 1 1 66 66 PRO CD C 13 50.665 0.3 . 1 . . . . 66 PRO CD . 15948 1
817 . 1 1 66 66 PRO CG C 13 27.412 0.3 . 1 . . . . 66 PRO CG . 15948 1
818 . 1 1 67 67 SER H H 1 8.394 0.020 . 1 . . . . 67 SER H . 15948 1
819 . 1 1 67 67 SER HA H 1 3.746 0.020 . 1 . . . . 67 SER HA . 15948 1
820 . 1 1 67 67 SER HB2 H 1 4.396 0.020 . 1 . . . . 67 SER HB2 . 15948 1
821 . 1 1 67 67 SER HB3 H 1 4.396 0.020 . 1 . . . . 67 SER HB3 . 15948 1
822 . 1 1 67 67 SER C C 13 174.553 0.3 . 1 . . . . 67 SER C . 15948 1
823 . 1 1 67 67 SER CA C 13 58.328 0.3 . 1 . . . . 67 SER CA . 15948 1
824 . 1 1 67 67 SER CB C 13 63.831 0.3 . 1 . . . . 67 SER CB . 15948 1
825 . 1 1 67 67 SER N N 15 116.049 0.3 . 1 . . . . 67 SER N . 15948 1
826 . 1 1 68 68 GLU H H 1 8.589 0.020 . 1 . . . . 68 GLU H . 15948 1
827 . 1 1 68 68 GLU CB C 13 32.725 0.3 . 1 . . . . 68 GLU CB . 15948 1
828 . 1 1 68 68 GLU N N 15 122.359 0.3 . 1 . . . . 68 GLU N . 15948 1
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