data_16865
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the double PHD (plant homeodomain) fingers of human transcriptional protein DPF3b bound to a histone H4 peptide containing N-terminal acetylation at serine 1
;
_BMRB_accession_number 16865
_BMRB_flat_file_name bmr16865.str
_Entry_type new
_Submission_date 2010-04-14
_Accession_date 2010-04-14
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Zeng Lei . .
2 Zhang Qiang . .
3 Li SiDe . .
4 Plotnikov Alexander N. .
5 Walsh Martin J. .
6 ZHOU MING-MING . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 2
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 707
"13C chemical shifts" 364
"15N chemical shifts" 117
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-09-03 original author .
stop_
loop_
_Related_BMRB_accession_number
_Relationship
16858 'DPF3b bound histone H3 acetylated lys 14'
16859 'DPF3b bound histone N-terminal H3'
16861 'DPF3b bound histone H4 acetylated lys 16'
16878 'DPF3b bound Histone H3 1-20Cys'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Mechanism and regulation of acetylated histone binding by the tandem PHD finger of DPF3b'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 20613843
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Zeng Lei . .
2 Zhang Qiang . .
3 Li SiDe . .
4 Plotnikov Alexander N. .
5 Walsh Martin J. .
6 ZHOU MING-MING . .
stop_
_Journal_abbreviation Nature
_Journal_volume 466
_Journal_issue 7303
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 258
_Page_last 262
_Year 2010
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Tandem PHD finger of Human DPF3b'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
histone_H4_acet_serine_1 $histone_H4_acet_serine_1
double_PHD_fingerss $double_PHD_fingers
ACS $ACS
'ZINC ION_1' $ZN
'ZINC ION_2' $ZN
'ZINC ION_3' $ZN
'ZINC ION_4' $ZN
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_histone_H4_acet_serine_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common histone_H4_acet_serine_1
_Molecular_mass 1914.308
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 20
_Mol_residue_sequence XGRGKGGKGLGKGGAKRHRK
loop_
_Residue_seq_code
_Residue_label
1 SAC 2 GLY 3 ARG 4 GLY 5 LYS
6 GLY 7 GLY 8 LYS 9 GLY 10 LEU
11 GLY 12 LYS 13 GLY 14 GLY 15 ALA
16 LYS 17 ARG 18 HIS 19 ARG 20 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-10-07
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 1EQZ "X-Ray Structure Of The Nucleosome Core Particle At 2.5 A Resolution" 95.00 103 100.00 100.00 4.62e-01
PDB 1F66 "2.6 A Crystal Structure Of A Nucleosome Core Particle Containing The Variant Histone H2a.Z" 95.00 103 100.00 100.00 4.62e-01
PDB 1HQ3 "Crystal Structure Of The Histone-Core-Octamer In KclPHOSPHATE" 95.00 103 100.00 100.00 4.62e-01
PDB 1ID3 "Crystal Structure Of The Yeast Nucleosome Core Particle Reveals Fundamental Differences In Inter-Nucleosome Interactions" 95.00 102 100.00 100.00 4.26e-01
PDB 1KX3 "X-Ray Structure Of The Nucleosome Core Particle, Ncp146, At 2.0 A Resolution" 95.00 102 100.00 100.00 4.81e-01
PDB 1KX4 "X-Ray Structure Of The Nucleosome Core Particle, Ncp146b, At 2.6 A Resolution" 95.00 102 100.00 100.00 4.81e-01
PDB 1KX5 "X-ray Structure Of The Nucleosome Core Particle, Ncp147, At 1.9 A Resolution" 95.00 102 100.00 100.00 4.81e-01
PDB 1M18 "Ligand Binding Alters The Structure And Dynamics Of Nucleosomal Dna" 95.00 102 100.00 100.00 4.81e-01
PDB 1M19 "Ligand Binding Alters The Structure And Dynamics Of Nucleosomal Dna" 95.00 102 100.00 100.00 4.81e-01
PDB 1M1A "Ligand Binding Alters The Structure And Dynamics Of Nucleosomal Dna" 95.00 102 100.00 100.00 4.81e-01
PDB 1P34 "Crystallographic Studies Of Nucleosome Core Particles Containing Histone 'sin' Mutants" 95.00 102 100.00 100.00 4.81e-01
PDB 1P3A "Crystallographic Studies Of Nucleosome Core Particles Containing Histone 'sin' Mutants" 95.00 102 100.00 100.00 4.81e-01
PDB 1P3B "Crystallographic Studies Of Nucleosome Core Particles Containing Histone 'sin' Mutants" 95.00 102 100.00 100.00 4.22e-01
PDB 1P3F "Crystallographic Studies Of Nucleosome Core Particles Containing Histone 'sin' Mutants" 95.00 102 100.00 100.00 4.67e-01
PDB 1P3G "Crystallographic Studies Of Nucleosome Core Particles Containing Histone 'sin' Mutants" 95.00 102 100.00 100.00 4.39e-01
PDB 1P3I "Crystallographic Studies Of Nucleosome Core Particles Containing Histone 'sin' Mutants" 95.00 102 100.00 100.00 4.81e-01
PDB 1P3K "Crystallographic Studies Of Nucleosome Core Particles Containing Histone 'sin' Mutants" 95.00 102 100.00 100.00 4.81e-01
PDB 1P3L "Crystallographic Studies Of Nucleosome Core Particles Containing Histone 'sin' Mutants" 95.00 102 100.00 100.00 4.81e-01
PDB 1P3M "Crystallographic Studies Of Nucleosome Core Particles Containing Histone 'sin' Mutants" 95.00 102 100.00 100.00 4.81e-01
PDB 1P3O "Crystallographic Studies Of Nucleosome Core Particles Containing Histone 'sin' Mutants" 95.00 102 100.00 100.00 4.81e-01
PDB 1P3P "Crystallographic Studies Of Nucleosome Core Particles Containing Histone 'sin' Mutants" 95.00 102 100.00 100.00 4.76e-01
PDB 1S32 "Molecular Recognition Of The Nucleosomal 'supergroove'" 95.00 102 100.00 100.00 4.81e-01
PDB 1TZY "Crystal Structure Of The Core-Histone Octamer To 1.90 Angstrom Resolution" 95.00 103 100.00 100.00 4.62e-01
PDB 1U35 "Crystal Structure Of The Nucleosome Core Particle Containing The Histone Domain Of Macroh2a" 95.00 103 100.00 100.00 4.62e-01
PDB 1ZBB "Structure Of The 4_601_167 Tetranucleosome" 95.00 102 100.00 100.00 4.81e-01
PDB 1ZLA "X-Ray Structure Of A Kaposi's Sarcoma Herpesvirus Lana Peptide Bound To The Nucleosomal Core" 95.00 102 100.00 100.00 4.81e-01
PDB 2ARO "Crystal Structure Of The Native Histone Octamer To 2.1 Angstrom Resolution, Crystalised In The Presence Of S-nitrosoglutathione" 95.00 103 100.00 100.00 4.62e-01
PDB 2CV5 "Crystal Structure Of Human Nucleosome Core Particle" 95.00 103 100.00 100.00 4.62e-01
PDB 2F8N "2.9 Angstrom X-Ray Structure Of Hybrid Macroh2a Nucleosomes" 95.00 103 100.00 100.00 4.62e-01
PDB 2FJ7 "Crystal Structure Of Nucleosome Core Particle Containing A Poly (Da.Dt) Sequence Element" 95.00 102 100.00 100.00 4.81e-01
PDB 2HIO "Histone Octamer (Chicken), Chromosomal Protein" 95.00 103 100.00 100.00 3.93e-01
PDB 2IO5 "Crystal Structure Of The Cia- Histone H3-H4 Complex" 95.00 102 100.00 100.00 4.81e-01
PDB 2KWO "Solution Structure Of The Double Phd (plant Homeodomain) Fingers Of Human Transcriptional Protein Dpf3b Bound To A Histone H4 P" 95.00 20 100.00 100.00 2.68e+00
PDB 2NQB "Drosophila Nucleosome Structure" 95.00 103 100.00 100.00 4.30e-01
PDB 2NZD "Nucleosome Core Particle Containing 145 Bp Of Dna" 95.00 102 100.00 100.00 4.81e-01
PDB 2PYO "Drosophila Nucleosome Core" 95.00 102 100.00 100.00 4.62e-01
PDB 2YFW "Heterotetramer Structure Of Kluyveromyces Lactis Cse4,H4" 95.00 103 100.00 100.00 4.09e-01
PDB 3A6N "The Nucleosome Containing A Testis-Specific Histone Variant, Human H3t" 95.00 106 100.00 100.00 4.86e-01
PDB 3AFA "The Human Nucleosome Structure" 95.00 106 100.00 100.00 4.86e-01
PDB 3AN2 "The Structure Of The Centromeric Nucleosome Containing Cenp-A" 95.00 106 100.00 100.00 4.86e-01
PDB 3AV1 "The Human Nucleosome Structure Containing The Histone Variant H3.2" 95.00 106 100.00 100.00 4.86e-01
PDB 3AV2 "The Human Nucleosome Structure Containing The Histone Variant H3.3" 95.00 106 100.00 100.00 4.86e-01
PDB 3AYW "Crystal Structure Of Human Nucleosome Core Particle Containing H3k56q Mutation" 95.00 106 100.00 100.00 4.86e-01
PDB 3AZE "Crystal Structure Of Human Nucleosome Core Particle Containing H3k64q Mutation" 95.00 106 100.00 100.00 4.86e-01
PDB 3AZF "Crystal Structure Of Human Nucleosome Core Particle Containing H3k79q Mutation" 95.00 106 100.00 100.00 4.86e-01
PDB 3AZG "Crystal Structure Of Human Nucleosome Core Particle Containing H3k115q Mutation" 95.00 106 100.00 100.00 4.86e-01
PDB 3AZH "Crystal Structure Of Human Nucleosome Core Particle Containing H3k122q Mutation" 95.00 106 100.00 100.00 4.86e-01
PDB 3AZI "Crystal Structure Of Human Nucleosome Core Particle Containing H4k31q Mutation" 95.00 106 100.00 100.00 4.62e-01
PDB 3AZJ "Crystal Structure Of Human Nucleosome Core Particle Containing H4k44q Mutation" 95.00 106 100.00 100.00 4.62e-01
PDB 3AZK "Crystal Structure Of Human Nucleosome Core Particle Containing H4k59q Mutation" 95.00 106 100.00 100.00 4.62e-01
PDB 3AZL "Crystal Structure Of Human Nucleosome Core Particle Containing H4k77q Mutation" 95.00 106 100.00 100.00 4.62e-01
PDB 3AZM "Crystal Structure Of Human Nucleosome Core Particle Containing H4k79q Mutation" 95.00 106 100.00 100.00 4.62e-01
PDB 3AZN "Crystal Structure Of Human Nucleosome Core Particle Containing H4k91q Mutation" 95.00 106 100.00 100.00 4.62e-01
PDB 3B6F "Nucleosome Core Particle Treated With Cisplatin" 95.00 102 100.00 100.00 4.81e-01
PDB 3B6G "Nucleosome Core Particle Treated With Oxaliplatin" 95.00 102 100.00 100.00 4.81e-01
PDB 3C1C "The Effect Of H3 K79 Dimethylation And H4 K20 Trimethylation On Nucleosome And Chromatin Structure" 95.00 102 100.00 100.00 4.81e-01
PDB 3C9K "Model Of Histone Octamer Tubular Crystals" 95.00 102 100.00 100.00 4.81e-01
PDB 3KUY "Dna Stretching In The Nucleosome Facilitates Alkylation By An Intercalating Antitumor Agent" 95.00 102 100.00 100.00 4.81e-01
PDB 3KXB "Structural Characterization Of H3k56q Nucleosomes And Nucleosomal Arrays" 95.00 102 100.00 100.00 4.81e-01
PDB 3LEL "Structural Insight Into The Sequence-Dependence Of Nucleosom Positioning" 95.00 102 100.00 100.00 4.81e-01
PDB 3LJA "Using Soft X-rays For A Detailed Picture Of Divalent Metal Binding In The Nucleosome" 95.00 102 100.00 100.00 4.81e-01
PDB 3LZ0 "Crystal Structure Of Nucleosome Core Particle Composed Of The Widom 601 Dna Sequence (Orientation 1)" 95.00 102 100.00 100.00 4.81e-01
PDB 3LZ1 "Crystal Structure Of Nucleosome Core Particle Composed Of The Widom 601 Dna Sequence (Orientation 2)" 95.00 102 100.00 100.00 4.81e-01
PDB 3MGP "Binding Of Cobalt Ions To The Nucleosome Core Particle" 95.00 102 100.00 100.00 4.81e-01
PDB 3MGQ "Binding Of Nickel Ions To The Nucleosome Core Particle" 95.00 102 100.00 100.00 4.81e-01
PDB 3MGR "Binding Of Rubidium Ions To The Nucleosome Core Particle" 95.00 102 100.00 100.00 4.81e-01
PDB 3MGS "Binding Of Cesium Ions To The Nucleosome Core Particle" 95.00 102 100.00 100.00 4.81e-01
PDB 3MNN "A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts In The Nucleosome Core" 95.00 102 100.00 100.00 4.81e-01
PDB 3MVD "Crystal Structure Of The Chromatin Factor Rcc1 In Complex With The Nucleosome Core Particle" 95.00 102 100.00 100.00 4.81e-01
PDB 3NQU "Crystal Structure Of Partially Trypsinized (Cenp-AH4)2 HETEROTETRAMER" 95.00 103 100.00 100.00 4.62e-01
PDB 3O62 "Nucleosome Core Particle Modified With A Cisplatin 1,3-Cis-{pt(Nh3) 2}2+-D(Gptpg) Intrastrand Cross-Link" 95.00 102 100.00 100.00 4.81e-01
PDB 3R45 "Structure Of A Cenp-A-Histone H4 Heterodimer In Complex With Chaperone Hjurp" 95.00 103 100.00 100.00 4.62e-01
PDB 3REH "2.5 Angstrom Crystal Structure Of The Nucleosome Core Particle Assembled With A 145 Bp Alpha-Satellite Dna (Ncp145)" 95.00 102 100.00 100.00 4.81e-01
PDB 3REI "2.65 Angstrom Crystal Structure Of The Nucleosome Core Particle Assembled With A 145 Bp Alpha-Satellite Dna (Ncp145) Derivatize" 95.00 102 100.00 100.00 4.81e-01
PDB 3REJ "2.55 Angstrom Crystal Structure Of The Nucleosome Core Particle Assembled With A 146 Bp Alpha-Satellite Dna (Ncp146b)" 95.00 102 100.00 100.00 4.81e-01
PDB 3REK "2.6 Angstrom Crystal Structure Of The Nucleosome Core Particle Assembled With A 146 Bp Alpha-Satellite Dna (Ncp146b) Derivatize" 95.00 102 100.00 100.00 4.81e-01
PDB 3REL "2.7 Angstrom Crystal Structure Of The Nucleosome Core Particle Assembled With A 146 Bp Alpha-Satellite Dna (Ncp146b) Derivatize" 95.00 102 100.00 100.00 4.81e-01
PDB 3TU4 "Crystal Structure Of The Sir3 Bah Domain In Complex With A Nucleosome Core Particle." 95.00 102 100.00 100.00 4.81e-01
PDB 3UT9 "Crystal Structure Of Nucleosome Core Particle Assembled With A Palindromic Widom '601' Derivative (ncp-601l)" 95.00 102 100.00 100.00 4.81e-01
PDB 3UTA "Crystal Structure Of Nucleosome Core Particle Assembled With An Alpha- Satellite Sequence Containing Two Ttaaa Elements (ncp-ta" 95.00 102 100.00 100.00 4.81e-01
PDB 3UTB "Crystal Structure Of Nucleosome Core Particle Assembled With The 146b Alpha-satellite Sequence (ncp146b)" 95.00 102 100.00 100.00 4.81e-01
PDB 3W96 "Crystal Structure Of Human Nucleosome Core Particle Lacking H2a N- Terminal Region" 95.00 106 100.00 100.00 4.86e-01
PDB 3W97 "Crystal Structure Of Human Nucleosome Core Particle Lacking H2b N- Terminal Region" 95.00 106 100.00 100.00 4.86e-01
PDB 3W98 "Crystal Structure Of Human Nucleosome Core Particle Lacking H3.1 N- Terminal Region" 95.00 106 100.00 100.00 4.86e-01
PDB 3WA9 "The Nucleosome Containing Human H2a.z.1" 95.00 106 100.00 100.00 4.86e-01
PDB 3WAA "The Nucleosome Containing Human H2a.z.2" 95.00 106 100.00 100.00 4.86e-01
PDB 3WKJ "The Nucleosome Containing Human Tsh2b" 95.00 106 100.00 100.00 4.86e-01
PDB 3WTP "Crystal Structure Of The Heterotypic Nucleosome Containing Human Cenp- A And H3.3" 95.00 106 100.00 100.00 4.86e-01
PDB 3X1S "Crystal Structure Of The Nucleosome Core Particle" 95.00 102 100.00 100.00 4.81e-01
PDB 3X1T "Crystal Structure Of Nucleosome Core Particle Consisting Of Mouse Testis Specific Histone Variants H2aa And H2ba" 95.00 102 100.00 100.00 4.81e-01
PDB 3X1U "Crystal Structure Of Nucleosome Core Particle In The Presence Of Histone Variants Involved In Reprogramming" 95.00 102 100.00 100.00 4.81e-01
PDB 3X1V "Crystal Structure Of Nucleosome Core Particle In The Presence Of Histone Variant Involved In Reprogramming" 95.00 102 100.00 100.00 4.81e-01
PDB 4GQB "Crystal Structure Of The Human Prmt5:mep50 Complex" 95.00 22 100.00 100.00 1.86e+00
PDB 4H9N "Complex Structure 1 Of DaxxH3.3(SUB5)H4" 95.00 102 100.00 100.00 4.81e-01
PDB 4H9O "Complex Structure 2 Of DaxxH3.3(SUB5,G90M)H4" 95.00 102 100.00 100.00 4.81e-01
PDB 4H9P "Complex Structure 3 Of DaxxH3.3(SUB5,G90A)H4" 95.00 102 100.00 100.00 4.81e-01
PDB 4H9Q "Complex Structure 4 Of Daxx(E225a)H3.3(SUB5)H4" 95.00 102 100.00 100.00 4.81e-01
PDB 4H9R "Complex Structure 5 Of Daxx(E225a)H3.3(SUB5,G90A)H4" 95.00 102 100.00 100.00 4.81e-01
PDB 4HGA "Structure Of The Variant Histone H3.3-h4 Heterodimer In Complex With Its Chaperone Daxx" 95.00 103 100.00 100.00 4.62e-01
PDB 4J8U "X-ray Structure Of Ncp145 With Chlorido(eta-6-p-cymene)(n-phenyl-2- Pyridinecarbothioamide)osmium(ii)" 95.00 102 100.00 100.00 4.81e-01
PDB 4J8V "X-ray Structure Of Ncp145 With Bound Chlorido(eta-6-p-cymene)(n- Phenyl-2-pyridinecarbothioamide)ruthenium(ii)" 95.00 102 100.00 100.00 4.81e-01
PDB 4J8W "X-ray Structure Of Ncp145 With Chlorido(eta-6-p-cymene)(n- Fluorophenyl-2-pyridinecarbothioamide)osmium(ii)" 95.00 102 100.00 100.00 4.81e-01
PDB 4J8X "X-ray Structure Of Ncp145 With Bound Chlorido(eta-6-p-cymene)(n- Fluorophenyl-2-pyridinecarbothioamide)ruthenium(ii)" 95.00 102 100.00 100.00 4.81e-01
PDB 4JJN "Crystal Structure Of Heterochromatin Protein Sir3 In Complex With A Silenced Yeast Nucleosome" 95.00 102 100.00 100.00 4.26e-01
PDB 4KGC "Nucleosome Core Particle Containing (eta6-p-cymene)-(1, 2- Ethylenediamine)-ruthenium" 95.00 103 100.00 100.00 4.62e-01
PDB 4KUD "Crystal Structure Of N-terminal Acetylated Sir3 Bah Domain D205n Mutant In Complex With Yeast Nucleosome Core Particle" 95.00 103 100.00 100.00 4.05e-01
PDB 4LD9 "Crystal Structure Of The N-terminally Acetylated Bah Domain Of Sir3 Bound To The Nucleosome Core Particle" 95.00 103 100.00 100.00 4.62e-01
PDB 4M38 "Crystal Structure Of Trypanosoma Brucei Protein Arginine Methyltransferase 7 Complex With Adohcy And Histone H4 Peptide" 95.00 21 100.00 100.00 1.87e+00
PDB 4PSX "Crystal Structure Of Histone Acetyltransferase Complex" 95.00 48 100.00 100.00 1.13e+00
PDB 4QLC "Crystal Structure Of Chromatosome At 3.5 Angstrom Resolution" 95.00 102 100.00 100.00 4.62e-01
PDB 4R8P "Crystal Structure Of The Ring1b/bmi1/ubch5c Prc1 Ubiquitylation Module Bound To The Nucleosome Core Particle" 95.00 102 100.00 100.00 4.81e-01
PDB 4UUZ "Mcm2-histone Complex" 95.00 103 100.00 100.00 4.30e-01
PDB 4WU8 "Structure Of Trptnap-ncp145" 95.00 102 100.00 100.00 4.81e-01
PDB 4WU9 "Structure Of Cisptnap-ncp145" 95.00 102 100.00 100.00 4.81e-01
PDB 5BNV "Crystal Structure Of Human Mcm2 Hbd Chaperoning A Histone H3-h4 Tetramer" 95.00 102 100.00 100.00 4.81e-01
PDB 5BNX "Crystal Structure Of Human Mcm2 Hbd And Asf1b Chaperoning A Histone H3.3-h4 Dimer" 95.00 102 100.00 100.00 4.81e-01
PDB 5BO0 "Crystal Structure Of Human Mcm2 Hbd And Asf1b Chaperoning A Histone H3.2-h4 Dimer" 95.00 102 100.00 100.00 4.81e-01
PDB 5BS7 "Structure Of Histone H3/h4 In Complex With Spt2" 95.00 102 100.00 100.00 4.81e-01
PDB 5BSA "Structure Of Histone H3/h4 In Complex With Spt2" 95.00 102 100.00 100.00 4.81e-01
PDB 5C3I "Crystal Structure Of The Quaternary Complex Of Histone H3-h4 Heterodimer With Chaperone Asf1 And The Replicative Helicase Subun" 95.00 103 100.00 100.00 4.62e-01
DBJ BAA19208 "H4 histone [Homo sapiens]" 95.00 103 100.00 100.00 4.62e-01
DBJ BAA21442 "histone H4 [Schizosaccharomyces pombe]" 95.00 103 100.00 100.00 3.66e-01
DBJ BAA85120 "histone H4-like protein [Solanum melongena]" 95.00 103 100.00 100.00 4.76e-01
DBJ BAB08365 "histone H4 [Arabidopsis thaliana]" 95.00 103 100.00 100.00 4.76e-01
DBJ BAB09507 "histone H4 [Arabidopsis thaliana]" 95.00 103 100.00 100.00 4.76e-01
EMBL CAA17818 "histone H4 h4.2 [Schizosaccharomyces pombe]" 95.00 103 100.00 100.00 3.66e-01
EMBL CAA24130 "unnamed protein product [Mus musculus]" 95.00 103 100.00 100.00 4.62e-01
EMBL CAA24373 "unnamed protein product [Psammechinus miliaris]" 95.00 103 100.00 100.00 9.70e-01
EMBL CAA24645 "unnamed protein product [Strongylocentrotus purpuratus]" 95.00 103 100.00 100.00 4.95e-01
EMBL CAA24924 "unnamed protein product [Triticum aestivum]" 95.00 103 100.00 100.00 4.76e-01
GB AAA20820 "histone H4.1 [Aspergillus nidulans]" 95.00 103 100.00 100.00 4.62e-01
GB AAA20821 "histone H4.2 [Aspergillus nidulans]" 95.00 103 100.00 100.00 4.01e-01
GB AAA28606 "histone (H4) homologue; putative, partial [Drosophila virilis]" 95.00 33 100.00 100.00 9.52e-01
GB AAA30002 "histone H4 [Lytechinus pictus]" 95.00 103 100.00 100.00 4.95e-01
GB AAA30024 "histone H4 [Psammechinus miliaris]" 95.00 103 100.00 100.00 4.95e-01
PIR D56618 "histone H4 - spoonworm (Urechis caupo)" 95.00 103 100.00 100.00 4.62e-01
PIR S11312 "histone H4 - polychaete (Platynereis dumerilii)" 95.00 103 100.00 100.00 4.62e-01
PIR S21367 "histone H4 - Nile tilapia" 95.00 103 100.00 100.00 4.62e-01
PIR S68537 "histone H4 - starfish (Asterina pectinifera)" 95.00 102 100.00 100.00 4.91e-01
PRF 0901261A "histone H4" 95.00 102 100.00 100.00 4.67e-01
PRF 0912198A "histone H4" 95.00 102 100.00 100.00 4.86e-01
PRF 1202262E "histone H4.1" 95.00 103 100.00 100.00 3.66e-01
PRF 1314298A "histone H4" 95.00 103 100.00 100.00 4.76e-01
PRF 1707275C "histone H4.1" 95.00 103 100.00 100.00 4.62e-01
REF NP_001011609 "histone H4 [Apis mellifera]" 95.00 103 100.00 100.00 3.89e-01
REF NP_001016869 "histone H4 [Xenopus (Silurana) tropicalis]" 95.00 103 100.00 100.00 4.62e-01
REF NP_001027284 "histone H4 [Drosophila melanogaster]" 95.00 103 100.00 100.00 4.30e-01
REF NP_001027288 "histone H4 [Drosophila melanogaster]" 95.00 103 100.00 100.00 4.30e-01
REF NP_001027293 "histone H4 [Drosophila melanogaster]" 95.00 103 100.00 100.00 4.30e-01
SP P02309 "RecName: Full=Histone H4" 95.00 103 100.00 100.00 4.05e-01
SP P04914 "RecName: Full=Histone H4" 95.00 103 100.00 100.00 4.26e-01
SP P04915 "RecName: Full=Histone H4" 95.00 103 100.00 100.00 4.17e-01
SP P08436 "RecName: Full=Histone H4" 95.00 103 100.00 100.00 4.17e-01
SP P09322 "RecName: Full=Histone H4" 95.00 103 100.00 100.00 3.66e-01
TPE CBF86829 "TPA: Histone H4.2 [Source:UniProtKB/Swiss-Prot;Acc:P23751] [Aspergillus nidulans FGSC A4]" 95.00 103 100.00 100.00 4.01e-01
TPE CBF88885 "TPA: Histone H4.1 [Source:UniProtKB/Swiss-Prot;Acc:P23750] [Aspergillus nidulans FGSC A4]" 95.00 103 100.00 100.00 4.62e-01
TPE CEL65759 "TPA: Histone H4, related [Neospora caninum Liverpool]" 95.00 103 100.00 100.00 4.17e-01
TPE CEL73296 "TPA: histone H4 [Toxoplasma gondii VEG]" 95.00 103 100.00 100.00 4.17e-01
TPG DAA07130 "TPA: histone H4 [Saccharomyces cerevisiae S288c]" 95.00 103 100.00 100.00 4.05e-01
TPG DAA10515 "TPA: histone H4 [Saccharomyces cerevisiae S288c]" 95.00 103 100.00 100.00 4.05e-01
TPG DAA13862 "TPA: histone H4 replacement-like [Bos taurus]" 95.00 103 100.00 100.00 4.13e-01
TPG DAA16108 "TPA: histone H4 [Bos taurus]" 95.00 103 100.00 100.00 4.62e-01
TPG DAA16158 "TPA: histone H4-like [Bos taurus]" 95.00 103 100.00 100.00 4.62e-01
stop_
save_
save_double_PHD_fingers
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common double_PHD_fingers
_Molecular_mass 12746.515
_Mol_thiol_state 'free and other bound'
_Details .
_Residue_count 114
_Mol_residue_sequence
;
GSYCDFCLGGSNMNKKSGRP
EELVSCADCGRSGHPTCLQF
TLNMTEAVKTYKWQCIECKS
CILCGTSENDDQLLFCDDCD
RGYHMYCLNPPVAEPPEGSW
SCHLCWELLKEKAS
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 259 GLY 2 260 SER 3 261 TYR 4 262 CYS 5 263 ASP
6 264 PHE 7 265 CYS 8 266 LEU 9 267 GLY 10 268 GLY
11 269 SER 12 270 ASN 13 271 MET 14 272 ASN 15 273 LYS
16 274 LYS 17 275 SER 18 276 GLY 19 277 ARG 20 278 PRO
21 279 GLU 22 280 GLU 23 281 LEU 24 282 VAL 25 283 SER
26 284 CYS 27 285 ALA 28 286 ASP 29 287 CYS 30 288 GLY
31 289 ARG 32 290 SER 33 291 GLY 34 292 HIS 35 293 PRO
36 294 THR 37 295 CYS 38 296 LEU 39 297 GLN 40 298 PHE
41 299 THR 42 300 LEU 43 301 ASN 44 302 MET 45 303 THR
46 304 GLU 47 305 ALA 48 306 VAL 49 307 LYS 50 308 THR
51 309 TYR 52 310 LYS 53 311 TRP 54 312 GLN 55 313 CYS
56 314 ILE 57 315 GLU 58 316 CYS 59 317 LYS 60 318 SER
61 319 CYS 62 320 ILE 63 321 LEU 64 322 CYS 65 323 GLY
66 324 THR 67 325 SER 68 326 GLU 69 327 ASN 70 328 ASP
71 329 ASP 72 330 GLN 73 331 LEU 74 332 LEU 75 333 PHE
76 334 CYS 77 335 ASP 78 336 ASP 79 337 CYS 80 338 ASP
81 339 ARG 82 340 GLY 83 341 TYR 84 342 HIS 85 343 MET
86 344 TYR 87 345 CYS 88 346 LEU 89 347 ASN 90 348 PRO
91 349 PRO 92 350 VAL 93 351 ALA 94 352 GLU 95 353 PRO
96 354 PRO 97 355 GLU 98 356 GLY 99 357 SER 100 358 TRP
101 359 SER 102 360 CYS 103 361 HIS 104 362 LEU 105 363 CYS
106 364 TRP 107 365 GLU 108 366 LEU 109 367 LEU 110 368 LYS
111 369 GLU 112 370 LYS 113 371 ALA 114 372 SER
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-30
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
BMRB 16858 double_PHD_fingers 100.00 114 100.00 100.00 1.49e-77
BMRB 16859 double_PHD_fingers 100.00 114 100.00 100.00 1.49e-77
BMRB 16861 double_PHD_fingers 100.00 114 100.00 100.00 1.49e-77
PDB 2KWJ "Solution Structures Of The Double Phd Fingers Of Human Transcriptional Protein Dpf3 Bound To A Histone Peptide Containing Acety" 100.00 114 100.00 100.00 1.49e-77
PDB 2KWK "Solution Structures Of The Double Phd Fingers Of Human Transcriptional Protein Dpf3b Bound To A H3 Peptide Wild Type" 100.00 114 100.00 100.00 1.49e-77
PDB 2KWN "Solution Structure Of The Double Phd (plant Homeodomain) Fingers Of Human Transcriptional Protein Dpf3b Bound To A Histone H4 P" 100.00 114 100.00 100.00 1.49e-77
PDB 2KWO "Solution Structure Of The Double Phd (plant Homeodomain) Fingers Of Human Transcriptional Protein Dpf3b Bound To A Histone H4 P" 100.00 114 100.00 100.00 1.49e-77
DBJ BAC30204 "unnamed protein product [Mus musculus]" 99.12 378 99.12 100.00 6.85e-76
GB AAX20019 "DPF3 [Homo sapiens]" 99.12 378 99.12 100.00 6.64e-76
GB EDL02734 "D4, zinc and double PHD fingers, family 3, isoform CRA_a [Mus musculus]" 99.12 381 99.12 100.00 5.44e-76
GB EGV99590 "Zinc finger protein DPF3 [Cricetulus griseus]" 85.96 408 97.96 100.00 3.61e-63
GB EHH28015 "hypothetical protein EGK_18348, partial [Macaca mulatta]" 99.12 368 99.12 100.00 7.18e-76
GB EHH63746 "hypothetical protein EGM_16777, partial [Macaca fascicularis]" 99.12 363 99.12 100.00 8.09e-76
REF NP_001254554 "zinc finger protein DPF3 isoform 1 [Mus musculus]" 99.12 378 99.12 100.00 6.85e-76
REF NP_001267471 "zinc finger protein DPF3 isoform 2 [Homo sapiens]" 99.12 378 99.12 100.00 6.64e-76
REF XP_001140541 "PREDICTED: zinc finger protein DPF3 [Pan troglodytes]" 99.12 367 99.12 100.00 1.06e-75
REF XP_001254780 "PREDICTED: zinc finger protein DPF3 isoform X3 [Bos taurus]" 99.12 378 99.12 100.00 7.72e-76
REF XP_001375927 "PREDICTED: zinc finger protein DPF3 isoform X1 [Monodelphis domestica]" 99.12 384 98.23 100.00 7.53e-75
SP P58269 "RecName: Full=Zinc finger protein DPF3; AltName: Full=BRG1-associated factor 45C; Short=BAF45C; AltName: Full=Zinc finger prote" 99.12 378 99.12 100.00 6.85e-76
SP Q92784 "RecName: Full=Zinc finger protein DPF3; AltName: Full=BRG1-associated factor 45C; Short=BAF45C; AltName: Full=Zinc finger prote" 99.12 378 99.12 100.00 6.64e-76
TPG DAA25179 "TPA: Zinc finger protein DPF3-like [Bos taurus]" 99.12 474 99.12 100.00 4.08e-74
stop_
save_
######################
# Polymer residues #
######################
save_chem_comp_SAC
_Saveframe_category polymer_residue
_Mol_type 'L-peptide linking'
_Name_common N-ACETYL-SERINE
_BMRB_code .
_PDB_code SAC
_Standard_residue_derivative .
_Molecular_mass 147.129
_Mol_paramagnetic no
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Jun 9 16:07:09 2009
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
C1A C1A C . 0 . ?
C2A C2A C . 0 . ?
OAC OAC O . 0 . ?
N N N . 0 . ?
CA CA C . 0 . ?
C C C . 0 . ?
O O O . 0 . ?
OXT OXT O . 0 . ?
CB CB C . 0 . ?
OG OG O . 0 . ?
H2A1 H2A1 H . 0 . ?
H2A2 H2A2 H . 0 . ?
H2A3 H2A3 H . 0 . ?
H H H . 0 . ?
HA HA H . 0 . ?
HXT HXT H . 0 . ?
HB2 HB2 H . 0 . ?
HB3 HB3 H . 0 . ?
HG HG H . 0 . ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
SING C1A C2A ? ?
DOUB C1A OAC ? ?
SING C1A N ? ?
SING C2A H2A1 ? ?
SING C2A H2A2 ? ?
SING C2A H2A3 ? ?
SING N CA ? ?
SING N H ? ?
SING CA C ? ?
SING CA CB ? ?
SING CA HA ? ?
DOUB C O ? ?
SING C OXT ? ?
SING OXT HXT ? ?
SING CB OG ? ?
SING CB HB2 ? ?
SING CB HB3 ? ?
SING OG HG ? ?
stop_
save_
#############
# Ligands #
#############
save_ACS
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common "ACS (1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE)"
_BMRB_code .
_PDB_code ACS
_Molecular_mass 395.452
_Mol_charge 0
_Mol_paramagnetic no
_Mol_aromatic no
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Jun 9 12:49:13 2009
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
N1 N1 N . 0 . ?
C2 C2 C . 0 . ?
C3 C3 C . 0 . ?
O4 O4 O . 0 . ?
O5 O5 O . 0 . ?
C6 C6 C . 0 . ?
C7 C7 C . 0 . ?
C10 C10 C . 0 . ?
C13 C13 C . 0 . ?
N16 N16 N . 0 . ?
O17 O17 O . 0 . ?
C18 C18 C . 0 . ?
C19 C19 C . 0 . ?
O20 O20 O . 0 . ?
N21 N21 N . 0 . ?
C22 C22 C . 0 . ?
C23 C23 C . 0 . ?
C24 C24 C . 0 . ?
S25 S25 S . 0 . ?
O28 O28 O . 0 . ?
C29 C29 C . 0 . ?
O35 O35 O . 0 . ?
O36 O36 O . 0 . ?
C42 C42 C . 0 . ?
S44 S44 S . 0 . ?
H12 H12 H . 0 . ?
H11 H11 H . 0 . ?
H2 H2 H . 0 . ?
H4O H4O H . 0 . ?
H62 H62 H . 0 . ?
H61 H61 H . 0 . ?
H72 H72 H . 0 . ?
H71 H71 H . 0 . ?
H102 H102 H . 0 . ?
H101 H101 H . 0 . ?
H16 H16 H . 0 . ?
H18 H18 H . 0 . ?
H22 H22 H . 0 . ?
H242 H242 H . 0 . ?
H241 H241 H . 0 . ?
H293 H293 H . 0 . ?
H292 H292 H . 0 . ?
H291 H291 H . 0 . ?
H35 H35 H . 0 . ?
H42 H42 H . 0 . ?
H44 H44 H . 0 . ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
SING N1 C2 ? ?
SING N1 H12 ? ?
SING N1 H11 ? ?
SING C2 C3 ? ?
SING C2 C6 ? ?
SING C2 H2 ? ?
SING C3 O4 ? ?
DOUB C3 O5 ? ?
SING O4 H4O ? ?
SING C6 C7 ? ?
SING C6 H62 ? ?
SING C6 H61 ? ?
SING C7 C10 ? ?
SING C7 H72 ? ?
SING C7 H71 ? ?
SING C10 C13 ? ?
SING C10 H102 ? ?
SING C10 H101 ? ?
SING C13 N16 ? ?
DOUB C13 O17 ? ?
SING N16 C18 ? ?
SING N16 H16 ? ?
SING C18 C19 ? ?
SING C18 C42 ? ?
SING C18 H18 ? ?
DOUB C19 O20 ? ?
SING C19 N21 ? ?
SING N21 C22 ? ?
SING N21 C42 ? ?
SING C22 C23 ? ?
SING C22 C24 ? ?
SING C22 H22 ? ?
SING C23 O35 ? ?
DOUB C23 O36 ? ?
SING C24 S25 ? ?
SING C24 H242 ? ?
SING C24 H241 ? ?
DOUB S25 O28 ? ?
SING S25 C29 ? ?
SING C29 H293 ? ?
SING C29 H292 ? ?
SING C29 H291 ? ?
SING O35 H35 ? ?
SING C42 S44 ? ?
SING C42 H42 ? ?
SING S44 H44 ? ?
stop_
_Mol_thiol_state 'not present'
_Sequence_homology_query_date .
save_
save_ZN
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common "ZN (ZINC ION)"
_BMRB_code .
_PDB_code ZN
_Molecular_mass 65.409
_Mol_charge 2
_Mol_paramagnetic no
_Mol_aromatic no
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Jun 9 16:52:42 2009
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
ZN ZN ZN . 2 . ?
stop_
_Mol_thiol_state 'not present'
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
$histone_H4_acet_serine_1 Human 9606 Eukaryota Metazoa Homo sapiens .
$double_PHD_fingers Human 9606 Eukaryota Metazoa Homo sapiens BL21
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$histone_H4_acet_serine_1 'chemical synthesis' . . . . .
$double_PHD_fingers 'recombinant technology' . . . . .
$ACS 'chemical synthesis' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
'sodium phosphate' 100 mM 'natural abundance'
DTT 2 mM 'natural abundance'
D2O 100 % 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
'sodium phosphate' 100 mM 'natural abundance'
DTT 2 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_ARIA
_Saveframe_category software
_Name ARIA
_Version 2.2
loop_
_Vendor
_Address
_Electronic_address
'Linge, O'Donoghue and Nilges' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 2.3
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
'chemical shift calculation'
stop_
_Details .
save_
save_NMRView
_Saveframe_category software
_Name NMRView
_Version 5.04
loop_
_Vendor
_Address
_Electronic_address
'Johnson, One Moon Scientific' . .
stop_
loop_
_Task
'peak picking'
'chemical shift assignment'
'data analysis'
stop_
_Details .
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version 1.2
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 900
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
save_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_spectrometer_4
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 500
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_HNCACB_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_2
save_
save_3D_HN(COCA)CB_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(COCA)CB'
_Sample_label $sample_2
save_
save_3D_1H-15N_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_3D_13C-Edited_13C/15N-filtered_NOESY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D_13C-Edited_13C/15N-filtered NOESY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
temperature 298 . K
pH 6.5 . pH
pressure 1 . atm
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
water H 1 'methyl protons' ppm 4.73 internal direct . . . 1
water C 13 'methyl carbons' ppm 42 internal direct . . . 1
water N 15 nitrogen ppm 118 internal direct . . . 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_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D HNCACB'
'3D HN(COCA)CB'
stop_
loop_
_Sample_label
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name histone_H4_acet_serine_1
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 1 SAC HA H 4.363 . 1
2 1 1 SAC HB1 H 3.845 . 1
3 1 1 SAC HT1 H 8.455 . 1
4 2 2 GLY H H 8.735 . 1
5 2 2 GLY HA2 H 3.935 . 2
6 3 3 ARG H H 8.323 . 1
7 3 3 ARG HA H 4.297 . 1
8 3 3 ARG HB2 H 1.850 . 2
9 3 3 ARG HB3 H 1.732 . 2
10 3 3 ARG HD2 H 3.153 . 2
11 3 3 ARG HE H 7.383 . 1
12 3 3 ARG HG2 H 1.590 . 2
13 4 4 GLY H H 8.571 . 1
14 4 4 GLY HA2 H 3.914 . 2
15 5 5 LYS H H 8.378 . 1
16 5 5 LYS HA H 4.291 . 1
17 5 5 LYS HB2 H 1.834 . 2
18 5 5 LYS HB3 H 1.735 . 2
19 5 5 LYS HD2 H 1.638 . 2
20 5 5 LYS HE2 H 2.943 . 2
21 5 5 LYS HG2 H 1.417 . 2
22 5 5 LYS HG3 H 1.372 . 2
23 6 6 GLY H H 8.669 . 1
24 6 6 GLY HA2 H 3.931 . 2
25 7 7 GLY H H 8.386 . 1
26 7 7 GLY HA2 H 3.929 . 2
27 8 8 LYS H H 8.389 . 1
28 8 8 LYS HA H 4.292 . 1
29 8 8 LYS HB2 H 1.841 . 2
30 8 8 LYS HB3 H 1.722 . 2
31 8 8 LYS HD2 H 1.635 . 2
32 8 8 LYS HE2 H 2.954 . 2
33 8 8 LYS HG2 H 1.369 . 2
34 9 9 GLY H H 8.646 . 1
35 9 9 GLY HA2 H 3.927 . 2
36 10 10 LEU H H 8.275 . 1
37 10 10 LEU HA H 4.308 . 1
38 10 10 LEU HB2 H 1.623 . 2
39 10 10 LEU HB3 H 1.546 . 2
40 10 10 LEU HD1 H 0.871 . 2
41 10 10 LEU HD2 H 0.817 . 2
42 11 11 GLY H H 8.355 . 1
43 11 11 GLY HA2 H 3.905 . 2
44 12 12 LYS H H 8.429 . 1
45 12 12 LYS HA H 4.286 . 1
46 12 12 LYS HB2 H 1.834 . 2
47 12 12 LYS HB3 H 1.613 . 2
48 12 12 LYS HE2 H 2.944 . 2
49 12 12 LYS HG2 H 1.411 . 2
50 12 12 LYS HG3 H 1.377 . 2
51 13 13 GLY H H 8.426 . 1
52 13 13 GLY HA2 H 3.908 . 2
53 14 14 GLY H H 8.624 . 1
54 14 14 GLY HA2 H 3.913 . 2
55 15 15 ALA H H 8.261 . 1
56 15 15 ALA HA H 4.245 . 1
57 15 15 ALA HB H 1.336 . 1
58 16 16 LYS H H 8.399 . 1
59 16 16 LYS HA H 4.210 . 1
60 16 16 LYS HB2 H 1.715 . 2
61 16 16 LYS HE2 H 2.941 . 2
62 16 16 LYS HG2 H 1.369 . 2
63 17 17 ARG H H 8.459 . 1
64 17 17 ARG HA H 4.232 . 1
65 17 17 ARG HB2 H 1.708 . 2
66 17 17 ARG HB3 H 1.708 . 2
67 17 17 ARG HD2 H 3.126 . 2
68 17 17 ARG HG2 H 1.519 . 2
69 18 18 HIS H H 8.611 . 1
70 18 18 HIS HA H 4.626 . 1
71 18 18 HIS HB2 H 3.164 . 2
72 18 18 HIS HB3 H 3.063 . 2
73 18 18 HIS HD2 H 7.086 . 3
74 18 18 HIS HE1 H 7.960 . 3
75 19 19 ARG H H 8.596 . 1
76 19 19 ARG HA H 4.270 . 1
77 19 19 ARG HB2 H 1.819 . 2
78 19 19 ARG HB3 H 1.731 . 2
79 19 19 ARG HD2 H 3.150 . 2
80 19 19 ARG HE H 7.417 . 1
81 19 19 ARG HG2 H 1.585 . 2
82 19 19 ARG HG3 H 1.538 . 2
83 20 20 LYS H H 8.123 . 1
84 20 20 LYS HA H 4.077 . 1
85 20 20 LYS HB2 H 1.760 . 2
86 20 20 LYS HB3 H 1.669 . 2
87 20 20 LYS HD2 H 1.668 . 2
88 20 20 LYS HE2 H 2.946 . 2
89 20 20 LYS HG2 H 1.361 . 2
stop_
save_
save_assigned_chem_shift_list_1_2
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D HNCACB'
'3D HN(COCA)CB'
stop_
loop_
_Sample_label
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name double_PHD_fingerss
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 260 2 SER HA H 4.412 . 1
2 260 2 SER HB2 H 3.713 . 2
3 260 2 SER CA C 58.619 . 1
4 260 2 SER CB C 64.122 . 1
5 261 3 TYR H H 7.616 . 1
6 261 3 TYR HA H 4.712 . 1
7 261 3 TYR HB2 H 2.747 . 2
8 261 3 TYR HB3 H 2.536 . 2
9 261 3 TYR HD1 H 6.883 . 3
10 261 3 TYR HE1 H 6.794 . 3
11 261 3 TYR CA C 55.794 . 1
12 261 3 TYR CB C 41.112 . 1
13 261 3 TYR CD1 C 133.720 . 3
14 261 3 TYR CE1 C 117.980 . 3
15 261 3 TYR N N 117.690 . 1
16 262 4 CYS H H 8.850 . 1
17 262 4 CYS HA H 3.929 . 1
18 262 4 CYS HB2 H 3.403 . 2
19 262 4 CYS HB3 H 1.890 . 2
20 262 4 CYS CA C 58.354 . 1
21 262 4 CYS CB C 31.956 . 1
22 262 4 CYS N N 122.870 . 1
23 263 5 ASP H H 8.805 . 1
24 263 5 ASP HA H 4.451 . 1
25 263 5 ASP HB2 H 2.427 . 2
26 263 5 ASP HB3 H 2.160 . 2
27 263 5 ASP CA C 57.628 . 1
28 263 5 ASP CB C 42.521 . 1
29 263 5 ASP N N 113.140 . 1
30 264 6 PHE H H 8.867 . 1
31 264 6 PHE HA H 4.480 . 1
32 264 6 PHE HB2 H 3.288 . 2
33 264 6 PHE HB3 H 3.069 . 2
34 264 6 PHE HD1 H 7.388 . 3
35 264 6 PHE HE1 H 7.299 . 3
36 264 6 PHE HZ H 7.330 . 1
37 264 6 PHE CA C 60.545 . 1
38 264 6 PHE CB C 40.863 . 1
39 264 6 PHE CD1 C 131.920 . 3
40 264 6 PHE CE1 C 131.520 . 3
41 264 6 PHE CZ C 129.980 . 1
42 264 6 PHE N N 117.236 . 1
43 265 7 CYS H H 8.397 . 1
44 265 7 CYS HA H 4.984 . 1
45 265 7 CYS HB2 H 3.256 . 2
46 265 7 CYS HB3 H 3.038 . 2
47 265 7 CYS CA C 59.069 . 1
48 265 7 CYS CB C 33.015 . 1
49 265 7 CYS N N 117.840 . 1
50 266 8 LEU H H 8.143 . 1
51 266 8 LEU HA H 4.359 . 1
52 266 8 LEU HB2 H 2.196 . 2
53 266 8 LEU HB3 H 1.577 . 2
54 266 8 LEU HD1 H 0.829 . 2
55 266 8 LEU HD2 H 0.819 . 2
56 266 8 LEU HG H 1.427 . 1
57 266 8 LEU CA C 57.896 . 1
58 266 8 LEU CB C 38.978 . 1
59 266 8 LEU CD1 C 25.561 . 1
60 266 8 LEU CD2 C 23.165 . 1
61 266 8 LEU CG C 28.091 . 1
62 266 8 LEU N N 117.670 . 1
63 267 9 GLY H H 9.336 . 1
64 267 9 GLY HA2 H 4.556 . 2
65 267 9 GLY HA3 H 4.484 . 2
66 267 9 GLY CA C 44.479 . 1
67 267 9 GLY N N 111.640 . 1
68 268 10 GLY H H 8.474 . 1
69 268 10 GLY HA2 H 4.672 . 2
70 268 10 GLY HA3 H 4.090 . 2
71 268 10 GLY CA C 44.891 . 1
72 268 10 GLY N N 124.880 . 1
73 269 11 SER H H 9.221 . 1
74 269 11 SER HA H 4.995 . 1
75 269 11 SER HB2 H 3.925 . 2
76 269 11 SER HB3 H 3.815 . 2
77 269 11 SER CA C 60.243 . 1
78 269 11 SER CB C 63.289 . 1
79 269 11 SER N N 119.350 . 1
80 270 12 ASN H H 8.513 . 1
81 270 12 ASN HA H 4.479 . 1
82 270 12 ASN HB2 H 2.814 . 2
83 270 12 ASN HB3 H 2.797 . 2
84 270 12 ASN HD21 H 7.680 . 2
85 270 12 ASN HD22 H 6.973 . 2
86 270 12 ASN CA C 54.533 . 1
87 270 12 ASN CB C 38.184 . 1
88 270 12 ASN N N 117.000 . 1
89 270 12 ASN ND2 N 114.040 . 1
90 271 13 MET H H 7.210 . 1
91 271 13 MET HA H 4.024 . 1
92 271 13 MET HB2 H 2.011 . 2
93 271 13 MET HB3 H 1.819 . 2
94 271 13 MET HE H 1.981 . 1
95 271 13 MET HG2 H 2.396 . 2
96 271 13 MET HG3 H 1.811 . 2
97 271 13 MET CA C 56.746 . 1
98 271 13 MET CB C 32.627 . 1
99 271 13 MET CE C 16.244 . 1
100 271 13 MET CG C 31.593 . 1
101 271 13 MET N N 116.060 . 1
102 272 14 ASN H H 8.301 . 1
103 272 14 ASN HA H 4.203 . 1
104 272 14 ASN HB2 H 3.420 . 2
105 272 14 ASN HB3 H 1.416 . 2
106 272 14 ASN HD21 H 7.321 . 2
107 272 14 ASN HD22 H 6.438 . 2
108 272 14 ASN CA C 53.850 . 1
109 272 14 ASN CB C 37.959 . 1
110 272 14 ASN N N 110.230 . 1
111 272 14 ASN ND2 N 116.400 . 1
112 273 15 LYS H H 8.332 . 1
113 273 15 LYS HA H 3.996 . 1
114 273 15 LYS HB2 H 1.978 . 2
115 273 15 LYS HB3 H 1.788 . 2
116 273 15 LYS HD2 H 1.729 . 2
117 273 15 LYS HE2 H 2.980 . 2
118 273 15 LYS HG2 H 1.550 . 2
119 273 15 LYS HG3 H 1.360 . 2
120 273 15 LYS CA C 58.882 . 1
121 273 15 LYS CB C 32.680 . 1
122 273 15 LYS CD C 29.135 . 1
123 273 15 LYS CE C 42.289 . 1
124 273 15 LYS CG C 27.012 . 1
125 273 15 LYS N N 111.770 . 1
126 274 16 LYS H H 8.759 . 1
127 274 16 LYS HA H 4.288 . 1
128 274 16 LYS HB2 H 1.952 . 2
129 274 16 LYS HB3 H 1.878 . 2
130 274 16 LYS HD2 H 1.778 . 2
131 274 16 LYS HE2 H 2.973 . 2
132 274 16 LYS HG2 H 1.445 . 2
133 274 16 LYS HG3 H 1.353 . 2
134 274 16 LYS CA C 58.562 . 1
135 274 16 LYS CB C 32.744 . 1
136 274 16 LYS CD C 29.384 . 1
137 274 16 LYS CE C 42.518 . 1
138 274 16 LYS CG C 25.585 . 1
139 274 16 LYS N N 120.000 . 1
140 275 17 SER H H 7.730 . 1
141 275 17 SER HA H 4.346 . 1
142 275 17 SER HB2 H 3.855 . 2
143 275 17 SER HB3 H 3.647 . 2
144 275 17 SER CA C 58.534 . 1
145 275 17 SER CB C 65.346 . 1
146 275 17 SER N N 113.700 . 1
147 276 18 GLY H H 8.410 . 1
148 276 18 GLY HA2 H 4.029 . 2
149 276 18 GLY HA3 H 3.765 . 2
150 276 18 GLY CA C 46.840 . 1
151 276 18 GLY N N 111.710 . 1
152 277 19 ARG H H 7.720 . 1
153 277 19 ARG HA H 4.867 . 1
154 277 19 ARG HB2 H 1.804 . 2
155 277 19 ARG HB3 H 1.519 . 2
156 277 19 ARG HD2 H 3.138 . 2
157 277 19 ARG HG2 H 1.520 . 2
158 277 19 ARG CA C 53.379 . 1
159 277 19 ARG CB C 32.064 . 1
160 277 19 ARG CD C 43.746 . 1
161 277 19 ARG CG C 26.916 . 1
162 277 19 ARG N N 119.340 . 1
163 278 20 PRO HA H 3.943 . 1
164 278 20 PRO HB2 H 2.312 . 2
165 278 20 PRO HB3 H 1.814 . 2
166 278 20 PRO HD2 H 3.785 . 2
167 278 20 PRO HD3 H 3.571 . 2
168 278 20 PRO HG2 H 2.066 . 2
169 278 20 PRO CA C 64.306 . 1
170 278 20 PRO CB C 32.742 . 1
171 278 20 PRO CD C 51.219 . 1
172 278 20 PRO CG C 28.085 . 1
173 279 21 GLU H H 7.473 . 1
174 279 21 GLU HA H 4.219 . 1
175 279 21 GLU HB2 H 1.966 . 2
176 279 21 GLU HB3 H 1.541 . 2
177 279 21 GLU HG2 H 2.819 . 2
178 279 21 GLU HG3 H 2.434 . 2
179 279 21 GLU CA C 56.998 . 1
180 279 21 GLU CB C 32.753 . 1
181 279 21 GLU CG C 36.082 . 1
182 279 21 GLU N N 123.170 . 1
183 280 22 GLU H H 8.440 . 1
184 280 22 GLU HA H 4.168 . 1
185 280 22 GLU HB2 H 2.008 . 2
186 280 22 GLU HG2 H 2.231 . 2
187 280 22 GLU HG3 H 2.075 . 2
188 280 22 GLU CA C 57.101 . 1
189 280 22 GLU CB C 30.505 . 1
190 280 22 GLU CG C 36.347 . 1
191 280 22 GLU N N 123.870 . 1
192 281 23 LEU H H 7.981 . 1
193 281 23 LEU HA H 4.412 . 1
194 281 23 LEU HB2 H 1.504 . 2
195 281 23 LEU HB3 H 0.891 . 2
196 281 23 LEU HD1 H 0.542 . 2
197 281 23 LEU HD2 H -0.050 . 2
198 281 23 LEU HG H 1.253 . 1
199 281 23 LEU CA C 53.855 . 1
200 281 23 LEU CB C 44.744 . 1
201 281 23 LEU CD1 C 26.443 . 1
202 281 23 LEU CD2 C 23.404 . 1
203 281 23 LEU CG C 27.147 . 1
204 281 23 LEU N N 116.320 . 1
205 282 24 VAL H H 8.513 . 1
206 282 24 VAL HA H 4.246 . 1
207 282 24 VAL HB H 1.529 . 1
208 282 24 VAL HG1 H 0.372 . 2
209 282 24 VAL HG2 H 0.411 . 2
210 282 24 VAL CA C 61.419 . 1
211 282 24 VAL CB C 33.661 . 1
212 282 24 VAL CG1 C 21.201 . 1
213 282 24 VAL CG2 C 20.724 . 1
214 282 24 VAL N N 120.630 . 1
215 283 25 SER H H 8.502 . 1
216 283 25 SER HA H 5.431 . 1
217 283 25 SER HB2 H 3.531 . 2
218 283 25 SER HB3 H 3.434 . 2
219 283 25 SER CA C 57.429 . 1
220 283 25 SER CB C 66.300 . 1
221 283 25 SER N N 118.040 . 1
222 284 26 CYS H H 9.240 . 1
223 284 26 CYS HA H 4.312 . 1
224 284 26 CYS HB2 H 3.293 . 2
225 284 26 CYS HB3 H 2.740 . 2
226 284 26 CYS CA C 60.083 . 1
227 284 26 CYS CB C 31.277 . 1
228 284 26 CYS N N 111.470 . 1
229 285 27 ALA H H 8.941 . 1
230 285 27 ALA HA H 4.089 . 1
231 285 27 ALA HB H 1.387 . 1
232 285 27 ALA CA C 55.024 . 1
233 285 27 ALA CB C 20.250 . 1
234 285 27 ALA N N 117.280 . 1
235 286 28 ASP H H 8.891 . 1
236 286 28 ASP HA H 4.799 . 1
237 286 28 ASP HB2 H 3.011 . 2
238 286 28 ASP HB3 H 2.677 . 2
239 286 28 ASP CA C 56.915 . 1
240 286 28 ASP CB C 43.524 . 1
241 286 28 ASP N N 119.820 . 1
242 287 29 CYS H H 8.365 . 1
243 287 29 CYS HA H 4.890 . 1
244 287 29 CYS HB2 H 3.153 . 2
245 287 29 CYS HB3 H 2.579 . 2
246 287 29 CYS CA C 59.435 . 1
247 287 29 CYS CB C 33.435 . 1
248 287 29 CYS N N 119.213 . 1
249 288 30 GLY H H 7.520 . 1
250 288 30 GLY HA2 H 4.156 . 2
251 288 30 GLY HA3 H 3.879 . 2
252 288 30 GLY CA C 46.671 . 1
253 288 30 GLY N N 111.400 . 1
254 289 31 ARG H H 8.960 . 1
255 289 31 ARG HA H 4.133 . 1
256 289 31 ARG HB2 H 2.089 . 2
257 289 31 ARG HB3 H 1.794 . 2
258 289 31 ARG HD2 H 3.291 . 2
259 289 31 ARG HD3 H 3.266 . 2
260 289 31 ARG HG2 H 1.785 . 2
261 289 31 ARG HG3 H 1.622 . 2
262 289 31 ARG CA C 59.184 . 1
263 289 31 ARG CB C 31.318 . 1
264 289 31 ARG CD C 44.227 . 1
265 289 31 ARG CG C 28.648 . 1
266 289 31 ARG N N 125.600 . 1
267 290 32 SER H H 8.972 . 1
268 290 32 SER HA H 5.979 . 1
269 290 32 SER HB2 H 3.568 . 2
270 290 32 SER HB3 H 3.482 . 2
271 290 32 SER CA C 57.604 . 1
272 290 32 SER CB C 67.237 . 1
273 290 32 SER N N 118.650 . 1
274 291 33 GLY H H 8.711 . 1
275 291 33 GLY HA2 H 5.322 . 2
276 291 33 GLY HA3 H 3.422 . 2
277 291 33 GLY CA C 45.437 . 1
278 291 33 GLY N N 122.560 . 1
279 292 34 HIS H H 8.613 . 1
280 292 34 HIS HA H 5.164 . 1
281 292 34 HIS HB2 H 3.499 . 2
282 292 34 HIS HB3 H 3.252 . 2
283 292 34 HIS HD2 H 7.321 . 3
284 292 34 HIS HE1 H 7.473 . 3
285 292 34 HIS CA C 56.694 . 1
286 292 34 HIS CB C 30.804 . 1
287 292 34 HIS CD2 C 120.983 . 1
288 292 34 HIS CE1 C 138.498 . 1
289 292 34 HIS N N 123.180 . 1
290 293 35 PRO HA H 3.340 . 1
291 293 35 PRO HB2 H 2.474 . 2
292 293 35 PRO HB3 H 2.079 . 2
293 293 35 PRO HD2 H 4.254 . 2
294 293 35 PRO HD3 H 3.949 . 2
295 293 35 PRO HG2 H 2.268 . 2
296 293 35 PRO HG3 H 1.575 . 2
297 293 35 PRO CA C 67.202 . 1
298 293 35 PRO CB C 32.299 . 1
299 293 35 PRO CD C 51.882 . 1
300 293 35 PRO CG C 28.452 . 1
301 294 36 THR H H 9.703 . 1
302 294 36 THR HA H 4.098 . 1
303 294 36 THR HB H 4.068 . 1
304 294 36 THR HG2 H 1.333 . 1
305 294 36 THR CA C 66.724 . 1
306 294 36 THR CB C 69.157 . 1
307 294 36 THR CG2 C 21.706 . 1
308 294 36 THR N N 126.600 . 1
309 295 37 CYS H H 6.943 . 1
310 295 37 CYS HA H 3.879 . 1
311 295 37 CYS HB2 H 3.065 . 2
312 295 37 CYS HB3 H 2.824 . 2
313 295 37 CYS CA C 63.944 . 1
314 295 37 CYS CB C 30.062 . 1
315 295 37 CYS N N 125.700 . 1
316 296 38 LEU H H 7.616 . 1
317 296 38 LEU HA H 3.501 . 1
318 296 38 LEU HB2 H 0.814 . 2
319 296 38 LEU HB3 H 0.799 . 2
320 296 38 LEU HD1 H -0.044 . 2
321 296 38 LEU HD2 H 0.803 . 2
322 296 38 LEU HG H 1.003 . 1
323 296 38 LEU CA C 55.722 . 1
324 296 38 LEU CB C 42.791 . 1
325 296 38 LEU CD1 C 26.281 . 1
326 296 38 LEU CD2 C 24.582 . 1
327 296 38 LEU CG C 27.682 . 1
328 296 38 LEU N N 118.640 . 1
329 297 39 GLN H H 7.475 . 1
330 297 39 GLN HA H 3.749 . 1
331 297 39 GLN HB2 H 2.308 . 2
332 297 39 GLN HB3 H 2.200 . 2
333 297 39 GLN HE21 H 7.420 . 2
334 297 39 GLN HE22 H 6.740 . 2
335 297 39 GLN HG2 H 2.105 . 2
336 297 39 GLN CA C 56.972 . 1
337 297 39 GLN CB C 25.524 . 1
338 297 39 GLN CG C 34.645 . 1
339 297 39 GLN N N 111.440 . 1
340 297 39 GLN NE2 N 112.110 . 1
341 298 40 PHE H H 7.998 . 1
342 298 40 PHE HA H 4.997 . 1
343 298 40 PHE HB2 H 3.186 . 2
344 298 40 PHE HB3 H 2.810 . 2
345 298 40 PHE HD1 H 6.845 . 3
346 298 40 PHE HE1 H 6.842 . 3
347 298 40 PHE HE2 H 6.206 . 3
348 298 40 PHE HZ H 6.313 . 1
349 298 40 PHE CA C 55.473 . 1
350 298 40 PHE CB C 38.326 . 1
351 298 40 PHE CD1 C 128.870 . 3
352 298 40 PHE CE1 C 131.270 . 3
353 298 40 PHE CE2 C 129.350 . 3
354 298 40 PHE CZ C 129.351 . 1
355 298 40 PHE N N 118.090 . 1
356 299 41 THR H H 7.560 . 1
357 299 41 THR HA H 4.477 . 1
358 299 41 THR HB H 4.774 . 1
359 299 41 THR HG2 H 1.431 . 1
360 299 41 THR CA C 60.676 . 1
361 299 41 THR CB C 71.702 . 1
362 299 41 THR CG2 C 22.667 . 1
363 299 41 THR N N 112.275 . 1
364 300 42 LEU H H 8.829 . 1
365 300 42 LEU HA H 4.065 . 1
366 300 42 LEU HB2 H 1.719 . 2
367 300 42 LEU HB3 H 1.594 . 2
368 300 42 LEU HD1 H 0.917 . 2
369 300 42 LEU HD2 H 0.874 . 2
370 300 42 LEU HG H 1.684 . 1
371 300 42 LEU CA C 59.495 . 1
372 300 42 LEU CB C 41.881 . 1
373 300 42 LEU CD1 C 25.116 . 1
374 300 42 LEU CD2 C 24.365 . 1
375 300 42 LEU CG C 27.629 . 1
376 300 42 LEU N N 123.855 . 1
377 301 43 ASN H H 8.620 . 1
378 301 43 ASN HA H 4.427 . 1
379 301 43 ASN HB2 H 2.876 . 2
380 301 43 ASN HB3 H 2.740 . 2
381 301 43 ASN HD21 H 7.710 . 2
382 301 43 ASN HD22 H 6.923 . 2
383 301 43 ASN CA C 56.513 . 1
384 301 43 ASN CB C 38.019 . 1
385 301 43 ASN N N 116.460 . 1
386 301 43 ASN ND2 N 112.746 . 1
387 302 44 MET H H 7.737 . 1
388 302 44 MET HA H 4.061 . 1
389 302 44 MET HB2 H 1.853 . 2
390 302 44 MET HB3 H 1.403 . 2
391 302 44 MET HE H 1.910 . 1
392 302 44 MET HG2 H 1.907 . 2
393 302 44 MET HG3 H 1.425 . 2
394 302 44 MET CA C 59.590 . 1
395 302 44 MET CB C 33.954 . 1
396 302 44 MET CE C 18.136 . 1
397 302 44 MET CG C 32.704 . 1
398 302 44 MET N N 122.300 . 1
399 303 45 THR H H 7.963 . 1
400 303 45 THR HA H 3.576 . 1
401 303 45 THR HB H 4.387 . 1
402 303 45 THR HG2 H 1.135 . 1
403 303 45 THR CA C 68.014 . 1
404 303 45 THR CB C 68.890 . 1
405 303 45 THR CG2 C 22.572 . 1
406 303 45 THR N N 114.985 . 1
407 304 46 GLU H H 7.296 . 1
408 304 46 GLU HA H 4.078 . 1
409 304 46 GLU HB2 H 2.022 . 2
410 304 46 GLU HB3 H 1.993 . 2
411 304 46 GLU HG2 H 2.348 . 2
412 304 46 GLU HG3 H 2.260 . 2
413 304 46 GLU CA C 58.817 . 1
414 304 46 GLU CB C 30.064 . 1
415 304 46 GLU CG C 36.519 . 1
416 304 46 GLU N N 116.270 . 1
417 305 47 ALA H H 8.156 . 1
418 305 47 ALA HA H 4.196 . 1
419 305 47 ALA HB H 1.573 . 1
420 305 47 ALA CA C 56.018 . 1
421 305 47 ALA CB C 19.814 . 1
422 305 47 ALA N N 122.630 . 1
423 306 48 VAL H H 8.343 . 1
424 306 48 VAL HA H 4.057 . 1
425 306 48 VAL HB H 2.029 . 1
426 306 48 VAL HG1 H 0.614 . 2
427 306 48 VAL HG2 H 0.673 . 2
428 306 48 VAL CA C 65.261 . 1
429 306 48 VAL CB C 31.273 . 1
430 306 48 VAL CG1 C 21.730 . 1
431 306 48 VAL CG2 C 19.755 . 1
432 306 48 VAL N N 112.950 . 1
433 307 49 LYS H H 6.985 . 1
434 307 49 LYS HA H 4.282 . 1
435 307 49 LYS HB2 H 2.049 . 2
436 307 49 LYS HB3 H 1.811 . 2
437 307 49 LYS HD2 H 1.682 . 2
438 307 49 LYS HE2 H 2.897 . 2
439 307 49 LYS HE3 H 2.888 . 2
440 307 49 LYS HG2 H 1.722 . 2
441 307 49 LYS HG3 H 1.437 . 2
442 307 49 LYS CA C 57.982 . 1
443 307 49 LYS CB C 33.049 . 1
444 307 49 LYS CD C 30.093 . 1
445 307 49 LYS CE C 42.342 . 1
446 307 49 LYS CG C 26.262 . 1
447 307 49 LYS N N 115.880 . 1
448 308 50 THR H H 8.010 . 1
449 308 50 THR HA H 4.527 . 1
450 308 50 THR HB H 4.589 . 1
451 308 50 THR HG2 H 1.319 . 1
452 308 50 THR CA C 62.517 . 1
453 308 50 THR CB C 72.031 . 1
454 308 50 THR CG2 C 21.899 . 1
455 308 50 THR N N 123.700 . 1
456 309 51 TYR H H 7.724 . 1
457 309 51 TYR HA H 4.956 . 1
458 309 51 TYR HB2 H 3.148 . 2
459 309 51 TYR HB3 H 2.974 . 2
460 309 51 TYR HD1 H 7.006 . 3
461 309 51 TYR HE1 H 6.773 . 3
462 309 51 TYR CA C 56.024 . 1
463 309 51 TYR CB C 40.149 . 1
464 309 51 TYR CD1 C 134.450 . 3
465 309 51 TYR CE1 C 117.350 . 3
466 309 51 TYR N N 120.265 . 1
467 310 52 LYS H H 8.310 . 1
468 310 52 LYS HA H 4.379 . 1
469 310 52 LYS HB2 H 1.845 . 2
470 310 52 LYS HB3 H 1.594 . 2
471 310 52 LYS HD2 H 1.702 . 2
472 310 52 LYS HE2 H 2.983 . 2
473 310 52 LYS HG2 H 1.578 . 2
474 310 52 LYS HG3 H 1.395 . 2
475 310 52 LYS CA C 55.691 . 1
476 310 52 LYS CB C 30.735 . 1
477 310 52 LYS CD C 29.590 . 1
478 310 52 LYS CE C 42.533 . 1
479 310 52 LYS CG C 25.287 . 1
480 310 52 LYS N N 120.100 . 1
481 311 53 TRP H H 7.557 . 1
482 311 53 TRP HA H 3.946 . 1
483 311 53 TRP HB2 H 2.972 . 2
484 311 53 TRP HB3 H 2.614 . 2
485 311 53 TRP HD1 H 7.373 . 1
486 311 53 TRP HE1 H 11.660 . 3
487 311 53 TRP HE3 H 7.097 . 3
488 311 53 TRP HH2 H 6.866 . 1
489 311 53 TRP HZ2 H 7.479 . 3
490 311 53 TRP HZ3 H 6.652 . 3
491 311 53 TRP CA C 59.784 . 1
492 311 53 TRP CB C 29.361 . 1
493 311 53 TRP CD1 C 126.900 . 3
494 311 53 TRP CE3 C 120.518 . 3
495 311 53 TRP CH2 C 123.830 . 1
496 311 53 TRP CZ2 C 114.270 . 3
497 311 53 TRP CZ3 C 120.011 . 3
498 311 53 TRP N N 113.510 . 1
499 311 53 TRP NE1 N 115.600 . 1
500 312 54 GLN H H 7.406 . 1
501 312 54 GLN HA H 5.029 . 1
502 312 54 GLN HB2 H 1.610 . 2
503 312 54 GLN HB3 H 1.484 . 2
504 312 54 GLN HE21 H 8.580 . 2
505 312 54 GLN HE22 H 6.590 . 2
506 312 54 GLN HG2 H 2.265 . 2
507 312 54 GLN HG3 H 2.127 . 2
508 312 54 GLN CA C 52.831 . 1
509 312 54 GLN CB C 34.641 . 1
510 312 54 GLN CG C 33.681 . 1
511 312 54 GLN N N 124.220 . 1
512 312 54 GLN NE2 N 118.074 . 1
513 313 55 CYS H H 8.845 . 1
514 313 55 CYS HA H 3.975 . 1
515 313 55 CYS HB2 H 3.376 . 2
516 313 55 CYS HB3 H 2.516 . 2
517 313 55 CYS CA C 57.906 . 1
518 313 55 CYS CB C 31.442 . 1
519 313 55 CYS N N 120.608 . 1
520 314 56 ILE H H 8.480 . 1
521 314 56 ILE HA H 3.713 . 1
522 314 56 ILE HB H 1.815 . 1
523 314 56 ILE HD1 H 0.673 . 1
524 314 56 ILE HG12 H 1.329 . 1
525 314 56 ILE HG13 H 1.185 . 1
526 314 56 ILE HG2 H 0.928 . 2
527 314 56 ILE CA C 63.164 . 1
528 314 56 ILE CB C 38.964 . 1
529 314 56 ILE CD1 C 14.979 . 1
530 314 56 ILE CG1 C 29.853 . 2
531 314 56 ILE CG2 C 18.550 . 1
532 314 56 ILE N N 116.530 . 1
533 315 57 GLU H H 8.060 . 1
534 315 57 GLU HA H 4.115 . 1
535 315 57 GLU HB2 H 2.064 . 2
536 315 57 GLU HB3 H 2.009 . 2
537 315 57 GLU HG2 H 2.321 . 2
538 315 57 GLU HG3 H 2.219 . 2
539 315 57 GLU CA C 59.367 . 1
540 315 57 GLU CB C 30.566 . 1
541 315 57 GLU CG C 37.037 . 1
542 315 57 GLU N N 121.090 . 1
543 316 58 CYS H H 7.740 . 1
544 316 58 CYS HA H 3.995 . 1
545 316 58 CYS HB2 H 3.108 . 2
546 316 58 CYS HB3 H 2.533 . 2
547 316 58 CYS CA C 61.481 . 1
548 316 58 CYS CB C 32.080 . 1
549 316 58 CYS N N 121.430 . 1
550 317 59 LYS H H 7.190 . 1
551 317 59 LYS HA H 3.501 . 1
552 317 59 LYS HB2 H 1.717 . 2
553 317 59 LYS HB3 H 1.538 . 2
554 317 59 LYS HD2 H 1.596 . 2
555 317 59 LYS HD3 H 1.523 . 2
556 317 59 LYS HE2 H 2.673 . 2
557 317 59 LYS HE3 H 2.321 . 2
558 317 59 LYS HG2 H 1.460 . 2
559 317 59 LYS HG3 H 1.376 . 2
560 317 59 LYS CA C 57.667 . 1
561 317 59 LYS CB C 33.628 . 1
562 317 59 LYS CD C 29.868 . 1
563 317 59 LYS CE C 42.032 . 1
564 317 59 LYS CG C 24.605 . 1
565 317 59 LYS N N 117.110 . 1
566 318 60 SER H H 7.830 . 1
567 318 60 SER HA H 4.360 . 1
568 318 60 SER HB2 H 3.525 . 2
569 318 60 SER HB3 H 3.405 . 2
570 318 60 SER CA C 55.731 . 1
571 318 60 SER CB C 66.045 . 1
572 318 60 SER N N 115.950 . 1
573 319 61 CYS H H 8.070 . 1
574 319 61 CYS HA H 3.934 . 1
575 319 61 CYS HB2 H 3.237 . 2
576 319 61 CYS HB3 H 1.653 . 2
577 319 61 CYS CA C 58.153 . 1
578 319 61 CYS CB C 32.212 . 1
579 319 61 CYS N N 123.140 . 1
580 320 62 ILE H H 8.330 . 1
581 320 62 ILE HA H 3.900 . 1
582 320 62 ILE HB H 1.781 . 1
583 320 62 ILE HD1 H 0.828 . 1
584 320 62 ILE HG12 H 1.427 . 1
585 320 62 ILE HG13 H 1.071 . 1
586 320 62 ILE HG2 H 0.826 . 2
587 320 62 ILE CA C 61.532 . 1
588 320 62 ILE CB C 38.487 . 1
589 320 62 ILE CD1 C 11.866 . 1
590 320 62 ILE CG1 C 28.447 . 2
591 320 62 ILE CG2 C 19.056 . 1
592 320 62 ILE N N 112.550 . 1
593 321 63 LEU H H 8.550 . 1
594 321 63 LEU HA H 4.470 . 1
595 321 63 LEU HB2 H 1.915 . 2
596 321 63 LEU HB3 H 1.680 . 2
597 321 63 LEU HD1 H 1.085 . 2
598 321 63 LEU HD2 H 1.079 . 2
599 321 63 LEU HG H 1.937 . 1
600 321 63 LEU CA C 57.486 . 1
601 321 63 LEU CB C 42.792 . 1
602 321 63 LEU CD1 C 27.459 . 1
603 321 63 LEU CD2 C 22.955 . 1
604 321 63 LEU CG C 27.907 . 1
605 321 63 LEU N N 121.473 . 1
606 322 64 CYS H H 8.149 . 1
607 322 64 CYS HA H 5.097 . 1
608 322 64 CYS HB2 H 3.301 . 2
609 322 64 CYS HB3 H 3.154 . 2
610 322 64 CYS CA C 59.093 . 1
611 322 64 CYS CB C 32.029 . 1
612 322 64 CYS N N 116.984 . 1
613 323 65 GLY H H 8.143 . 1
614 323 65 GLY HA2 H 4.141 . 2
615 323 65 GLY HA3 H 3.985 . 2
616 323 65 GLY CA C 46.681 . 1
617 323 65 GLY N N 113.125 . 1
618 324 66 THR H H 8.332 . 1
619 324 66 THR HA H 5.012 . 1
620 324 66 THR HB H 4.528 . 1
621 324 66 THR HG2 H 1.302 . 1
622 324 66 THR CA C 61.251 . 1
623 324 66 THR CB C 72.031 . 1
624 324 66 THR CG2 C 21.697 . 1
625 324 66 THR N N 113.254 . 1
626 325 67 SER H H 8.890 . 1
627 325 67 SER HA H 4.652 . 1
628 325 67 SER HB2 H 3.907 . 2
629 325 67 SER HB3 H 3.785 . 2
630 325 67 SER CA C 57.412 . 1
631 325 67 SER CB C 63.893 . 1
632 325 67 SER N N 116.857 . 1
633 326 68 GLU H H 7.418 . 1
634 326 68 GLU HA H 4.368 . 1
635 326 68 GLU HB2 H 2.073 . 2
636 326 68 GLU HB3 H 1.847 . 2
637 326 68 GLU HG2 H 2.305 . 2
638 326 68 GLU HG3 H 2.170 . 2
639 326 68 GLU CA C 56.376 . 1
640 326 68 GLU CB C 31.503 . 1
641 326 68 GLU CG C 36.303 . 1
642 326 68 GLU N N 119.613 . 1
643 327 69 ASN H H 9.256 . 1
644 327 69 ASN HA H 4.560 . 1
645 327 69 ASN HB2 H 3.082 . 2
646 327 69 ASN HB3 H 2.857 . 2
647 327 69 ASN HD21 H 7.529 . 2
648 327 69 ASN HD22 H 6.856 . 2
649 327 69 ASN CA C 54.839 . 1
650 327 69 ASN CB C 37.964 . 1
651 327 69 ASN N N 117.160 . 1
652 327 69 ASN ND2 N 114.150 . 1
653 328 70 ASP H H 8.510 . 1
654 328 70 ASP HA H 4.086 . 1
655 328 70 ASP HB2 H 2.794 . 2
656 328 70 ASP CA C 57.480 . 1
657 328 70 ASP CB C 40.393 . 1
658 328 70 ASP N N 117.230 . 1
659 329 71 ASP H H 8.845 . 1
660 329 71 ASP HA H 4.473 . 1
661 329 71 ASP HB2 H 2.792 . 2
662 329 71 ASP HB3 H 2.715 . 2
663 329 71 ASP CA C 55.298 . 1
664 329 71 ASP CB C 39.889 . 1
665 329 71 ASP N N 118.090 . 1
666 330 72 GLN H H 8.344 . 1
667 330 72 GLN HA H 4.462 . 1
668 330 72 GLN HB2 H 2.743 . 2
669 330 72 GLN HB3 H 2.152 . 2
670 330 72 GLN HE21 H 7.600 . 2
671 330 72 GLN HE22 H 6.676 . 2
672 330 72 GLN HG2 H 2.399 . 2
673 330 72 GLN HG3 H 2.318 . 2
674 330 72 GLN CA C 55.273 . 1
675 330 72 GLN CB C 30.052 . 1
676 330 72 GLN CG C 34.397 . 1
677 330 72 GLN N N 117.496 . 1
678 330 72 GLN NE2 N 112.168 . 1
679 331 73 LEU H H 7.222 . 1
680 331 73 LEU HA H 4.112 . 1
681 331 73 LEU HB2 H 1.573 . 2
682 331 73 LEU HB3 H 0.471 . 2
683 331 73 LEU HD1 H 0.623 . 2
684 331 73 LEU HD2 H -0.055 . 2
685 331 73 LEU HG H 1.288 . 1
686 331 73 LEU CA C 55.238 . 1
687 331 73 LEU CB C 43.981 . 1
688 331 73 LEU CD1 C 26.474 . 1
689 331 73 LEU CD2 C 23.429 . 1
690 331 73 LEU CG C 27.451 . 1
691 331 73 LEU N N 120.590 . 1
692 332 74 LEU H H 8.710 . 1
693 332 74 LEU HA H 4.193 . 1
694 332 74 LEU HB2 H 0.882 . 2
695 332 74 LEU HB3 H 0.987 . 2
696 332 74 LEU HD1 H 0.012 . 2
697 332 74 LEU HD2 H -0.038 . 2
698 332 74 LEU HG H 0.958 . 1
699 332 74 LEU CA C 53.575 . 1
700 332 74 LEU CB C 44.467 . 1
701 332 74 LEU CD1 C 24.546 . 1
702 332 74 LEU CD2 C 23.802 . 1
703 332 74 LEU CG C 27.015 . 1
704 332 74 LEU N N 124.580 . 1
705 333 75 PHE H H 8.360 . 1
706 333 75 PHE HA H 5.655 . 1
707 333 75 PHE HB2 H 2.982 . 2
708 333 75 PHE HB3 H 2.889 . 2
709 333 75 PHE HD1 H 7.126 . 3
710 333 75 PHE HE1 H 7.065 . 3
711 333 75 PHE HZ H 7.102 . 1
712 333 75 PHE CA C 55.959 . 1
713 333 75 PHE CB C 41.142 . 1
714 333 75 PHE CD1 C 131.820 . 3
715 333 75 PHE CE1 C 130.700 . 3
716 333 75 PHE CZ C 129.640 . 1
717 333 75 PHE N N 120.120 . 1
718 334 76 CYS H H 9.405 . 1
719 334 76 CYS HA H 4.796 . 1
720 334 76 CYS HB2 H 3.704 . 2
721 334 76 CYS HB3 H 2.918 . 2
722 334 76 CYS CA C 60.759 . 1
723 334 76 CYS CB C 32.243 . 1
724 334 76 CYS N N 125.290 . 1
725 335 77 ASP H H 9.443 . 1
726 335 77 ASP HA H 4.898 . 1
727 335 77 ASP HB2 H 3.239 . 2
728 335 77 ASP HB3 H 2.615 . 2
729 335 77 ASP CA C 57.671 . 1
730 335 77 ASP CB C 45.916 . 1
731 335 77 ASP N N 115.040 . 1
732 336 78 ASP H H 9.575 . 1
733 336 78 ASP HA H 4.896 . 1
734 336 78 ASP HB2 H 2.936 . 2
735 336 78 ASP HB3 H 2.552 . 2
736 336 78 ASP CA C 57.160 . 1
737 336 78 ASP CB C 44.961 . 1
738 336 78 ASP N N 121.610 . 1
739 337 79 CYS H H 8.225 . 1
740 337 79 CYS HA H 4.869 . 1
741 337 79 CYS HB2 H 2.991 . 2
742 337 79 CYS HB3 H 2.433 . 2
743 337 79 CYS CA C 59.348 . 1
744 337 79 CYS CB C 34.144 . 1
745 337 79 CYS N N 116.070 . 1
746 338 80 ASP H H 8.523 . 1
747 338 80 ASP HA H 4.659 . 1
748 338 80 ASP HB2 H 2.775 . 2
749 338 80 ASP HB3 H 2.690 . 2
750 338 80 ASP CA C 58.184 . 1
751 338 80 ASP CB C 42.461 . 1
752 338 80 ASP N N 125.880 . 1
753 339 81 ARG H H 8.833 . 1
754 339 81 ARG HA H 4.163 . 1
755 339 81 ARG HB2 H 1.800 . 2
756 339 81 ARG HB3 H 1.334 . 2
757 339 81 ARG HD2 H 2.998 . 2
758 339 81 ARG HD3 H 2.657 . 2
759 339 81 ARG HG2 H 1.785 . 2
760 339 81 ARG HG3 H 1.088 . 2
761 339 81 ARG CA C 59.081 . 1
762 339 81 ARG CB C 32.924 . 1
763 339 81 ARG CD C 45.424 . 1
764 339 81 ARG CG C 32.486 . 1
765 339 81 ARG N N 121.150 . 1
766 340 82 GLY H H 9.172 . 1
767 340 82 GLY HA2 H 5.137 . 2
768 340 82 GLY HA3 H 2.717 . 2
769 340 82 GLY CA C 44.659 . 1
770 340 82 GLY N N 123.940 . 1
771 341 83 TYR H H 8.618 . 1
772 341 83 TYR HA H 5.217 . 1
773 341 83 TYR HB2 H 2.604 . 2
774 341 83 TYR HB3 H 2.531 . 2
775 341 83 TYR HD1 H 7.187 . 3
776 341 83 TYR HE1 H 6.718 . 3
777 341 83 TYR CA C 56.211 . 1
778 341 83 TYR CB C 43.731 . 1
779 341 83 TYR CD1 C 133.480 . 3
780 341 83 TYR CE1 C 119.300 . 3
781 341 83 TYR N N 117.880 . 1
782 342 84 HIS H H 9.610 . 1
783 342 84 HIS HA H 4.446 . 1
784 342 84 HIS HB2 H 3.164 . 2
785 342 84 HIS HB3 H 1.455 . 2
786 342 84 HIS HD2 H 6.659 . 3
787 342 84 HIS HE1 H 7.609 . 3
788 342 84 HIS CA C 59.327 . 1
789 342 84 HIS CB C 30.814 . 1
790 342 84 HIS CD2 C 118.000 . 1
791 342 84 HIS CE1 C 138.780 . 1
792 342 84 HIS N N 124.110 . 1
793 343 85 MET H H 8.997 . 1
794 343 85 MET HA H 3.635 . 1
795 343 85 MET HB2 H 2.020 . 2
796 343 85 MET HB3 H 1.718 . 2
797 343 85 MET HE H 1.904 . 1
798 343 85 MET HG2 H 2.617 . 2
799 343 85 MET HG3 H 2.530 . 2
800 343 85 MET CA C 60.571 . 1
801 343 85 MET CB C 34.155 . 1
802 343 85 MET CE C 17.634 . 1
803 343 85 MET CG C 34.162 . 1
804 343 85 MET N N 121.600 . 1
805 344 86 TYR H H 6.267 . 1
806 344 86 TYR HA H 4.653 . 1
807 344 86 TYR HB2 H 3.372 . 2
808 344 86 TYR HB3 H 2.861 . 2
809 344 86 TYR HD1 H 7.104 . 3
810 344 86 TYR HE1 H 6.487 . 3
811 344 86 TYR CA C 56.508 . 1
812 344 86 TYR CB C 37.499 . 1
813 344 86 TYR CD1 C 134.400 . 3
814 344 86 TYR CE1 C 118.590 . 3
815 344 86 TYR N N 123.020 . 1
816 345 87 CYS H H 7.201 . 1
817 345 87 CYS HA H 4.331 . 1
818 345 87 CYS HB2 H 3.218 . 2
819 345 87 CYS HB3 H 2.775 . 2
820 345 87 CYS CA C 62.716 . 1
821 345 87 CYS CB C 31.535 . 1
822 345 87 CYS N N 122.636 . 1
823 346 88 LEU H H 6.400 . 1
824 346 88 LEU HA H 3.845 . 1
825 346 88 LEU HB2 H 1.667 . 2
826 346 88 LEU HB3 H 1.392 . 2
827 346 88 LEU HD1 H 0.695 . 2
828 346 88 LEU HD2 H 0.750 . 2
829 346 88 LEU HG H 1.726 . 1
830 346 88 LEU CA C 55.748 . 1
831 346 88 LEU CB C 44.439 . 1
832 346 88 LEU CD1 C 27.215 . 1
833 346 88 LEU CD2 C 23.828 . 1
834 346 88 LEU CG C 27.215 . 1
835 346 88 LEU N N 119.169 . 1
836 347 89 ASN H H 7.972 . 1
837 347 89 ASN HA H 4.888 . 1
838 347 89 ASN HB2 H 2.784 . 2
839 347 89 ASN HB3 H 2.542 . 2
840 347 89 ASN HD21 H 7.541 . 2
841 347 89 ASN HD22 H 6.800 . 2
842 347 89 ASN CA C 49.793 . 1
843 347 89 ASN CB C 41.367 . 1
844 347 89 ASN N N 115.830 . 1
845 347 89 ASN ND2 N 112.002 . 1
846 348 90 PRO HA H 5.021 . 1
847 348 90 PRO HB2 H 2.410 . 2
848 348 90 PRO HB3 H 2.032 . 2
849 348 90 PRO HD2 H 3.546 . 2
850 348 90 PRO HD3 H 3.446 . 2
851 348 90 PRO HG2 H 1.900 . 2
852 348 90 PRO CA C 62.701 . 1
853 348 90 PRO CB C 33.452 . 1
854 348 90 PRO CD C 50.693 . 1
855 348 90 PRO CG C 25.833 . 1
856 349 91 PRO HA H 4.372 . 1
857 349 91 PRO HB2 H 2.271 . 2
858 349 91 PRO HB3 H 1.806 . 2
859 349 91 PRO HD2 H 3.765 . 2
860 349 91 PRO HD3 H 3.643 . 2
861 349 91 PRO HG2 H 2.104 . 2
862 349 91 PRO HG3 H 1.982 . 2
863 349 91 PRO CA C 63.655 . 1
864 349 91 PRO CB C 32.946 . 1
865 349 91 PRO CD C 50.654 . 1
866 349 91 PRO CG C 27.930 . 1
867 350 92 VAL H H 7.640 . 1
868 350 92 VAL HA H 4.136 . 1
869 350 92 VAL HB H 1.685 . 1
870 350 92 VAL HG1 H 0.774 . 2
871 350 92 VAL HG2 H 0.803 . 2
872 350 92 VAL CA C 61.435 . 1
873 350 92 VAL CB C 34.455 . 1
874 350 92 VAL CG1 C 22.386 . 1
875 350 92 VAL CG2 C 22.405 . 1
876 350 92 VAL N N 120.100 . 1
877 351 93 ALA H H 8.549 . 1
878 351 93 ALA HA H 4.276 . 1
879 351 93 ALA HB H 1.390 . 1
880 351 93 ALA CA C 53.838 . 1
881 351 93 ALA CB C 20.472 . 1
882 351 93 ALA N N 110.825 . 1
883 352 94 GLU H H 7.384 . 1
884 352 94 GLU HA H 4.697 . 1
885 352 94 GLU HB2 H 1.961 . 2
886 352 94 GLU HB3 H 1.806 . 2
887 352 94 GLU HG2 H 2.105 . 2
888 352 94 GLU HG3 H 2.058 . 2
889 352 94 GLU CA C 53.410 . 1
890 352 94 GLU CB C 31.571 . 1
891 352 94 GLU CG C 35.604 . 1
892 352 94 GLU N N 115.500 . 1
893 353 95 PRO HA H 4.283 . 1
894 353 95 PRO HB2 H 2.170 . 2
895 353 95 PRO HB3 H 1.816 . 2
896 353 95 PRO HD2 H 3.658 . 2
897 353 95 PRO HD3 H 3.611 . 2
898 353 95 PRO HG2 H 2.104 . 2
899 353 95 PRO HG3 H 1.877 . 2
900 353 95 PRO CA C 61.514 . 1
901 353 95 PRO CB C 31.283 . 1
902 353 95 PRO CD C 50.912 . 1
903 353 95 PRO CG C 28.345 . 1
904 354 96 PRO HA H 4.431 . 1
905 354 96 PRO HB2 H 2.357 . 2
906 354 96 PRO HB3 H 1.984 . 2
907 354 96 PRO HD2 H 3.479 . 2
908 354 96 PRO HD3 H 3.295 . 2
909 354 96 PRO HG2 H 1.958 . 2
910 354 96 PRO HG3 H 1.870 . 2
911 354 96 PRO CA C 63.197 . 1
912 354 96 PRO CB C 32.694 . 1
913 354 96 PRO CD C 51.402 . 1
914 354 96 PRO CG C 27.961 . 1
915 355 97 GLU H H 8.611 . 1
916 355 97 GLU HA H 4.276 . 1
917 355 97 GLU HB2 H 2.004 . 2
918 355 97 GLU HB3 H 1.957 . 2
919 355 97 GLU HG2 H 2.318 . 2
920 355 97 GLU HG3 H 2.230 . 2
921 355 97 GLU CA C 57.170 . 1
922 355 97 GLU CB C 30.582 . 1
923 355 97 GLU CG C 36.767 . 1
924 355 97 GLU N N 121.670 . 1
925 356 98 GLY H H 8.224 . 1
926 356 98 GLY HA2 H 4.083 . 2
927 356 98 GLY HA3 H 3.974 . 2
928 356 98 GLY CA C 44.958 . 1
929 356 98 GLY N N 110.370 . 1
930 357 99 SER H H 8.249 . 1
931 357 99 SER HA H 4.572 . 1
932 357 99 SER HB2 H 3.834 . 2
933 357 99 SER CA C 59.129 . 1
934 357 99 SER CB C 64.450 . 1
935 357 99 SER N N 117.300 . 1
936 358 100 TRP H H 9.320 . 1
937 358 100 TRP HA H 4.604 . 1
938 358 100 TRP HB2 H 3.325 . 2
939 358 100 TRP HB3 H 3.000 . 2
940 358 100 TRP HD1 H 7.281 . 1
941 358 100 TRP HE1 H 9.805 . 3
942 358 100 TRP HE3 H 7.399 . 3
943 358 100 TRP HH2 H 6.245 . 1
944 358 100 TRP HZ2 H 7.111 . 3
945 358 100 TRP HZ3 H 6.736 . 3
946 358 100 TRP CA C 60.050 . 1
947 358 100 TRP CB C 31.932 . 1
948 358 100 TRP CD1 C 125.960 . 3
949 358 100 TRP CE3 C 121.100 . 3
950 358 100 TRP CH2 C 122.880 . 1
951 358 100 TRP CZ2 C 114.440 . 3
952 358 100 TRP CZ3 C 119.840 . 3
953 358 100 TRP N N 111.060 . 1
954 358 100 TRP NE1 N 112.370 . 1
955 359 101 SER H H 7.093 . 1
956 359 101 SER HA H 5.349 . 1
957 359 101 SER HB2 H 3.390 . 2
958 359 101 SER HB3 H 3.238 . 2
959 359 101 SER CA C 55.953 . 1
960 359 101 SER CB C 65.303 . 1
961 359 101 SER N N 121.470 . 1
962 360 102 CYS H H 9.308 . 1
963 360 102 CYS HA H 3.601 . 1
964 360 102 CYS HB2 H 2.809 . 2
965 360 102 CYS HB3 H 2.448 . 2
966 360 102 CYS CA C 57.667 . 1
967 360 102 CYS CB C 34.895 . 1
968 360 102 CYS N N 111.703 . 1
969 361 103 HIS H H 8.091 . 1
970 361 103 HIS HA H 4.179 . 1
971 361 103 HIS HB2 H 3.139 . 2
972 361 103 HIS HB3 H 3.018 . 2
973 361 103 HIS HD2 H 7.008 . 3
974 361 103 HIS HE1 H 7.718 . 3
975 361 103 HIS CA C 59.308 . 1
976 361 103 HIS CB C 29.867 . 1
977 361 103 HIS CD2 C 119.045 . 1
978 361 103 HIS CE1 C 137.740 . 1
979 361 103 HIS N N 115.660 . 1
980 362 104 LEU H H 6.796 . 1
981 362 104 LEU HA H 4.076 . 1
982 362 104 LEU HB2 H 1.746 . 2
983 362 104 LEU HB3 H 1.312 . 2
984 362 104 LEU HD1 H 0.737 . 2
985 362 104 LEU HD2 H 0.738 . 2
986 362 104 LEU HG H 1.173 . 1
987 362 104 LEU CA C 58.009 . 1
988 362 104 LEU CB C 42.278 . 1
989 362 104 LEU CD1 C 25.279 . 1
990 362 104 LEU CD2 C 23.164 . 1
991 362 104 LEU CG C 27.020 . 1
992 362 104 LEU N N 117.060 . 1
993 363 105 CYS H H 7.802 . 1
994 363 105 CYS HA H 3.935 . 1
995 363 105 CYS HB2 H 2.753 . 2
996 363 105 CYS HB3 H 2.704 . 2
997 363 105 CYS CA C 64.121 . 1
998 363 105 CYS CB C 28.913 . 1
999 363 105 CYS N N 123.407 . 1
1000 364 106 TRP H H 8.067 . 1
1001 364 106 TRP HA H 4.222 . 1
1002 364 106 TRP HB2 H 3.163 . 2
1003 364 106 TRP HD1 H 7.075 . 1
1004 364 106 TRP HE1 H 9.939 . 3
1005 364 106 TRP HE3 H 7.497 . 3
1006 364 106 TRP HH2 H 7.171 . 1
1007 364 106 TRP HZ2 H 7.422 . 3
1008 364 106 TRP HZ3 H 7.088 . 3
1009 364 106 TRP CA C 60.750 . 1
1010 364 106 TRP CB C 29.596 . 1
1011 364 106 TRP CD1 C 127.180 . 3
1012 364 106 TRP CE3 C 120.838 . 3
1013 364 106 TRP CH2 C 124.446 . 1
1014 364 106 TRP CZ2 C 114.407 . 3
1015 364 106 TRP CZ3 C 121.879 . 3
1016 364 106 TRP N N 121.290 . 1
1017 364 106 TRP NE1 N 112.730 . 1
1018 365 107 GLU H H 7.799 . 1
1019 365 107 GLU HA H 3.805 . 1
1020 365 107 GLU HB2 H 1.960 . 2
1021 365 107 GLU HG2 H 2.227 . 2
1022 365 107 GLU HG3 H 2.204 . 2
1023 365 107 GLU CA C 59.074 . 1
1024 365 107 GLU CB C 30.082 . 1
1025 365 107 GLU CG C 36.788 . 1
1026 365 107 GLU N N 118.008 . 1
1027 366 108 LEU H H 7.479 . 1
1028 366 108 LEU HA H 4.095 . 1
1029 366 108 LEU HB2 H 1.670 . 2
1030 366 108 LEU HB3 H 1.534 . 2
1031 366 108 LEU HD1 H 0.872 . 2
1032 366 108 LEU HD2 H 0.831 . 2
1033 366 108 LEU HG H 1.632 . 1
1034 366 108 LEU CA C 57.209 . 1
1035 366 108 LEU CB C 42.808 . 1
1036 366 108 LEU CD1 C 25.337 . 1
1037 366 108 LEU CD2 C 24.105 . 1
1038 366 108 LEU CG C 27.264 . 1
1039 366 108 LEU N N 119.100 . 1
1040 367 109 LEU H H 7.728 . 1
1041 367 109 LEU HA H 4.102 . 1
1042 367 109 LEU HB2 H 1.595 . 2
1043 367 109 LEU HB3 H 1.457 . 2
1044 367 109 LEU HD1 H 0.741 . 2
1045 367 109 LEU HD2 H 0.743 . 2
1046 367 109 LEU HG H 1.564 . 1
1047 367 109 LEU CA C 56.529 . 1
1048 367 109 LEU CB C 42.510 . 1
1049 367 109 LEU CD1 C 25.321 . 1
1050 367 109 LEU CD2 C 23.688 . 1
1051 367 109 LEU CG C 27.208 . 1
1052 367 109 LEU N N 119.308 . 1
1053 368 110 LYS H H 7.672 . 1
1054 368 110 LYS HA H 3.968 . 1
1055 368 110 LYS HB2 H 1.567 . 2
1056 368 110 LYS HD2 H 1.454 . 2
1057 368 110 LYS HE2 H 2.788 . 2
1058 368 110 LYS HG2 H 1.219 . 2
1059 368 110 LYS CA C 57.721 . 1
1060 368 110 LYS CB C 32.791 . 1
1061 368 110 LYS CD C 29.362 . 1
1062 368 110 LYS CE C 42.312 . 1
1063 368 110 LYS CG C 24.860 . 1
1064 368 110 LYS N N 119.733 . 1
1065 369 111 GLU H H 7.963 . 1
1066 369 111 GLU HA H 4.164 . 1
1067 369 111 GLU HB2 H 2.003 . 2
1068 369 111 GLU HB3 H 1.921 . 2
1069 369 111 GLU HG2 H 2.233 . 2
1070 369 111 GLU HG3 H 2.190 . 2
1071 369 111 GLU CA C 57.367 . 1
1072 369 111 GLU CB C 30.245 . 1
1073 369 111 GLU CG C 36.647 . 1
1074 369 111 GLU N N 120.110 . 1
1075 370 112 LYS H H 7.992 . 1
1076 370 112 LYS HA H 4.246 . 1
1077 370 112 LYS HB2 H 1.834 . 2
1078 370 112 LYS HB3 H 1.745 . 2
1079 370 112 LYS HD2 H 1.629 . 2
1080 370 112 LYS HE2 H 2.918 . 2
1081 370 112 LYS HG2 H 1.428 . 2
1082 370 112 LYS CA C 56.747 . 1
1083 370 112 LYS CB C 33.434 . 1
1084 370 112 LYS CD C 29.537 . 1
1085 370 112 LYS CE C 42.388 . 1
1086 370 112 LYS CG C 25.305 . 1
1087 370 112 LYS N N 121.270 . 1
1088 371 113 ALA H H 8.130 . 1
1089 371 113 ALA HA H 4.345 . 1
1090 371 113 ALA HB H 1.388 . 1
1091 371 113 ALA CA C 52.962 . 1
1092 371 113 ALA CB C 19.907 . 1
1093 371 113 ALA N N 125.610 . 1
1094 372 114 SER H H 7.869 . 1
1095 372 114 SER HA H 4.219 . 1
1096 372 114 SER HB2 H 3.837 . 2
1097 372 114 SER CA C 60.466 . 1
1098 372 114 SER CB C 65.320 . 1
1099 372 114 SER N N 120.910 . 1
stop_
save_