data_15852
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15852
_Entry.Title
;
Solution structure of CaM complexed to DAPk peptide
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2008-07-02
_Entry.Accession_date 2008-07-02
_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 Ivano Bertini . . . 15852
2 Claudio Luchinat . . . 15852
3 Giacomo Parigi . . . 15852
4 Jing Yuan . . . 15852
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
. 'not applicable' 'not applicable' . 15852
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
calmodulin . 15852
'DAPk peptide' . 15852
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 15852
heteronucl_T1_relaxation 1 15852
heteronucl_T2_relaxation 1 15852
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 416 15852
'15N chemical shifts' 144 15852
'1H chemical shifts' 144 15852
'T1 relaxation values' 136 15852
'T2 relaxation values' 136 15852
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 . . 2009-04-24 2008-07-02 update BMRB 'complete entry citation' 15852
1 . . 2009-04-04 2008-07-02 original author 'original release' 15852
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 7423 '3CaYb and CaM and DAPk complex' 15852
BMRB 7424 '3CaTb and CaM and DAPk complex' 15852
BMRB 7425 '3CaTm and CaM and DAPk complex' 15852
PDB 2K61 'BMRB Entry Tracking System' 15852
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 15852
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 19317469
_Citation.Full_citation .
_Citation.Title 'Accurate Solution Structures of Proteins from X-ray Data and a Minimal Set of NMR Data: Calmodulin-Peptide Complexes As Examples'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Am. Chem. Soc.'
_Citation.Journal_name_full .
_Citation.Journal_volume 131
_Citation.Journal_issue 14
_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 5134
_Citation.Page_last 5144
_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 Ivano Bertini . . . 15852 1
2 Petri Kursula . . . 15852 1
3 Claudio Luchinat . . . 15852 1
4 Giacomo Parigi . . . 15852 1
5 Juha Vahokoski . . . 15852 1
6 Matthias Wilmanns . . . 15852 1
7 Jing Yuan . . . 15852 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 15852
_Assembly.ID 1
_Assembly.Name calmodulin
_Assembly.BMRB_code .
_Assembly.Number_of_components 5
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass 17000
_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 calmodulin 1 $calmodulin A . yes native no no . . 'N60D mutation' 15852 1
2 'CALCIUM ION, 1' 2 $CA B . no native no no . . 'metal ions: Ca2+ or lanthanides ions' 15852 1
3 'CALCIUM ION, 2' 2 $CA B . no native no no . . 'metal ions: Ca2+ or lanthanides ions' 15852 1
4 'CALCIUM ION, 3' 2 $CA B . no native no no . . 'metal ions: Ca2+ or lanthanides ions' 15852 1
5 'CALCIUM ION, 4' 2 $CA B . no native no no . . 'metal ions: Ca2+ or lanthanides ions' 15852 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_calmodulin
_Entity.Sf_category entity
_Entity.Sf_framecode calmodulin
_Entity.Entry_ID 15852
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name calmodulin
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
ADQLTEEQIAEFKEAFSLFD
KDGDGTITTKELGTVMRSLG
QNPTEAELQDMINEVDADGD
GTIDFPEFLTMMARKMKDTD
SEEEIREAFRVFDKDGNGYI
SAAELRHVMTNLGEKLTDEE
VDEMIREADIDGDGQVNYEE
FVQMMTAK
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 148
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 16650.387
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-26
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no BMRB 15184 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
2 no BMRB 15185 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
3 no BMRB 15186 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
4 no BMRB 15187 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
5 no BMRB 15188 . calmodulin . . . . . 100.00 148 98.65 100.00 7.70e-99 . . . . 15852 1
6 no BMRB 15191 . Calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
7 no BMRB 15470 . calmodulin . . . . . 100.00 148 98.65 100.00 1.22e-98 . . . . 15852 1
8 no BMRB 15624 . Calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
9 no BMRB 15650 . calmodulin . . . . . 100.00 148 100.00 100.00 1.04e-99 . . . . 15852 1
10 no BMRB 16418 . apoCaM . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
11 no BMRB 16465 . entity_1 . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
12 no BMRB 16764 . CALMODULIN . . . . . 100.00 150 99.32 100.00 3.55e-99 . . . . 15852 1
13 no BMRB 17264 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
14 no BMRB 17360 . entity_1 . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
15 no BMRB 17771 . Calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
16 no BMRB 17807 . Calmodulin . . . . . 99.32 147 99.32 100.00 1.58e-98 . . . . 15852 1
17 no BMRB 18027 . CaM . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
18 no BMRB 18028 . CaM . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
19 no BMRB 18556 . Calmodulin . . . . . 100.00 148 97.97 99.32 1.73e-97 . . . . 15852 1
20 no BMRB 19036 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
21 no BMRB 19238 . Calmodulin_prototypical_calcium_sensor . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
22 no BMRB 19586 . entity_1 . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
23 no BMRB 19604 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
24 no BMRB 25253 . CaM . . . . . 100.00 148 97.97 99.32 1.13e-96 . . . . 15852 1
25 no BMRB 25257 . CaM . . . . . 100.00 148 97.97 99.32 1.13e-96 . . . . 15852 1
26 no BMRB 26503 . Calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
27 no BMRB 26626 . CaM . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
28 no BMRB 26627 . CaM . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
29 no BMRB 4056 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
30 no BMRB 4270 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
31 no BMRB 4284 . Calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
32 no BMRB 4310 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
33 no PDB 1A29 . "Calmodulin Complexed With Trifluoperazine (1:2 Complex)" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
34 no PDB 1CFC . "Calcium-Free Calmodulin" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
35 no PDB 1CFD . "Calcium-Free Calmodulin" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
36 no PDB 1CFF . "Nmr Solution Structure Of A Complex Of Calmodulin With A Binding Peptide Of The Ca2+-Pump" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
37 no PDB 1CKK . "CalmodulinRAT CA2+CALMODULIN DEPENDENT PROTEIN KINASE Fragment" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
38 no PDB 1CLL . "Calmodulin Structure Refined At 1.7 Angstroms Resolution" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
39 no PDB 1CM1 . "Motions Of Calmodulin-Single-Conformer Refinement" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
40 no PDB 1CM4 . "Motions Of Calmodulin-four-conformer Refinement" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
41 no PDB 1CTR . "Drug Binding By Calmodulin: Crystal Structure Of A Calmodulin-Trifluoperazine Complex" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
42 no PDB 1DMO . "Calmodulin, Nmr, 30 Structures" . . . . . 100.00 148 98.65 100.00 1.22e-98 . . . . 15852 1
43 no PDB 1G4Y . "1.60 A Crystal Structure Of The Gating Domain From Small Conductance Potassium Channel Complexed With Calcium-Calmodulin" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
44 no PDB 1IQ5 . "CalmodulinNEMATODE CA2+CALMODULIN DEPENDENT KINASE KINASE Fragment" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
45 no PDB 1IWQ . "Crystal Structure Of Marcks Calmodulin Binding Domain Peptide Complexed With Ca2+CALMODULIN" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
46 no PDB 1K90 . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
47 no PDB 1K93 . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" . . . . . 97.30 144 99.31 100.00 3.52e-96 . . . . 15852 1
48 no PDB 1L7Z . "Crystal Structure Of Ca2+/calmodulin Complexed With Myristoylated Cap-23/nap-22 Peptide" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
49 no PDB 1LIN . "Calmodulin Complexed With Trifluoperazine (1:4 Complex)" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
50 no PDB 1LVC . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 2' Deoxy, 3' Anthr" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
51 no PDB 1MUX . "Solution Nmr Structure Of CalmodulinW-7 Complex: The Basis Of Diversity In Molecular Recognition, 30 Structures" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
52 no PDB 1MXE . "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki" . . . . . 100.00 148 97.30 99.32 4.78e-97 . . . . 15852 1
53 no PDB 1NWD . "Solution Structure Of Ca2+CALMODULIN BOUND TO THE C- Terminal Domain Of Petunia Glutamate Decarboxylase" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
54 no PDB 1OOJ . "Structural Genomics Of Caenorhabditis Elegans : Calmodulin" . . . . . 100.00 149 97.30 98.65 1.17e-96 . . . . 15852 1
55 no PDB 1PRW . "Crystal Structure Of Bovine Brain Ca++ Calmodulin In A Compact Form" . . . . . 100.00 149 98.65 99.32 2.77e-98 . . . . 15852 1
56 no PDB 1QIV . "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd), 1:2 Complex" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
57 no PDB 1QIW . "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
58 no PDB 1QX5 . "Crystal Structure Of Apocalmodulin" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
59 no PDB 1S26 . "Structure Of Anthrax Edema Factor-calmodulin-alpha,beta- Methyleneadenosine 5'-triphosphate Complex Reveals An Alternative Mode" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
60 no PDB 1SK6 . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin, 3',5' Cyclic Amp (Cam" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
61 no PDB 1SY9 . "Structure Of Calmodulin Complexed With A Fragment Of The Olfactory Cng Channel" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
62 no PDB 1UP5 . "Chicken Calmodulin" . . . . . 100.00 148 98.65 99.32 2.68e-98 . . . . 15852 1
63 no PDB 1WRZ . "Calmodulin Complexed With A Peptide From A Human Death-Associated Protein Kinase" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
64 no PDB 1X02 . "Solution Structure Of Stereo Array Isotope Labeled (Sail) Calmodulin" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
65 no PDB 1XA5 . "Structure Of Calmodulin In Complex With Kar-2, A Bis-Indol Alkaloid" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
66 no PDB 1XFU . "Crystal Structure Of Anthrax Edema Factor (ef) Truncation Mutant, Ef-delta 64 In Complex With Calmodulin" . . . . . 100.00 149 98.65 100.00 9.18e-99 . . . . 15852 1
67 no PDB 1XFV . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp" . . . . . 100.00 149 98.65 100.00 9.18e-99 . . . . 15852 1
68 no PDB 1XFW . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3'5' Cyclic Amp (Camp)" . . . . . 100.00 149 98.65 100.00 9.18e-99 . . . . 15852 1
69 no PDB 1XFY . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" . . . . . 100.00 149 98.65 100.00 9.18e-99 . . . . 15852 1
70 no PDB 1XFZ . "Crystal Structure Of Anthrax Edema Factor (ef) In Complex With Calmodulin In The Presence Of 1 Millimolar Exogenously Added Cal" . . . . . 100.00 149 98.65 100.00 9.18e-99 . . . . 15852 1
71 no PDB 1Y0V . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And Pyrophosphate" . . . . . 97.30 146 99.31 100.00 2.90e-96 . . . . 15852 1
72 no PDB 1YR5 . "1.7-A Structure Of Calmodulin Bound To A Peptide From Dap Kinase" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
73 no PDB 2BBM . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 100.00 148 97.30 99.32 4.78e-97 . . . . 15852 1
74 no PDB 2BBN . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 100.00 148 97.30 99.32 4.78e-97 . . . . 15852 1
75 no PDB 2BCX . "Crystal Structure Of Calmodulin In Complex With A Ryanodine Receptor Peptide" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
76 no PDB 2BKH . "Myosin Vi Nucleotide-Free (Mdinsert2) Crystal Structure" . . . . . 100.00 149 97.30 99.32 5.11e-97 . . . . 15852 1
77 no PDB 2BKI . "Myosin Vi Nucleotide-free (mdinsert2-iq) Crystal Structure" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
78 no PDB 2DFS . "3-D Structure Of Myosin-V Inhibited State" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
79 no PDB 2F2O . "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" . . . . . 100.00 179 99.32 100.00 5.64e-99 . . . . 15852 1
80 no PDB 2F2P . "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" . . . . . 100.00 179 99.32 100.00 5.64e-99 . . . . 15852 1
81 no PDB 2F3Y . "CalmodulinIQ DOMAIN COMPLEX" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
82 no PDB 2F3Z . "CalmodulinIQ-Aa Domain Complex" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
83 no PDB 2FOT . "Crystal Structure Of The Complex Between Calmodulin And Alphaii-Spectrin" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
84 no PDB 2HQW . "Crystal Structure Of Ca2+CALMODULIN BOUND TO NMDA RECEPTOR NR1C1 Peptide" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
85 no PDB 2JZI . "Structure Of Calmodulin Complexed With The Calmodulin Binding Domain Of Calcineurin" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
86 no PDB 2K0E . "A Coupled Equilibrium Shift Mechanism In Calmodulin- Mediated Signal Transduction" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
87 no PDB 2K0F . "Calmodulin Complexed With Calmodulin-Binding Peptide From Smooth Muscle Myosin Light Chain Kinase" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
88 no PDB 2K0J . "Solution Structure Of Cam Complexed To Drp1p" . . . . . 100.00 148 100.00 100.00 1.04e-99 . . . . 15852 1
89 no PDB 2K61 . "Solution Structure Of Cam Complexed To Dapk Peptide" . . . . . 100.00 148 100.00 100.00 1.04e-99 . . . . 15852 1
90 no PDB 2KDU . "Structural Basis Of The Munc13-1CA2+-Calmodulin Interaction: A Novel 1-26 Calmodulin Binding Motif With A Bipartite Binding Mod" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
91 no PDB 2KNE . "Calmodulin Wraps Around Its Binding Domain In The Plasma Membrane Ca2+ Pump Anchored By A Novel 18-1 Motif" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
92 no PDB 2L53 . "Solution Nmr Structure Of Apo-Calmodulin In Complex With The Iq Motif Of Human Cardiac Sodium Channel Nav1.5" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
93 no PDB 2L7L . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of Calmodulin Kinase I" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
94 no PDB 2LGF . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of L-Selectin" . . . . . 98.65 146 99.32 100.00 8.60e-98 . . . . 15852 1
95 no PDB 2LL6 . "Solution Nmr Structure Of Cam Bound To Inos Cam Binding Domain Peptide" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
96 no PDB 2LL7 . "Solution Nmr Structure Of Cam Bound To The Enos Cam Binding Domain Peptide" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
97 no PDB 2LV6 . "The Complex Between Ca-calmodulin And Skeletal Muscle Myosin Light Chain Kinase From Combination Of Nmr And Aqueous And Contras" . . . . . 100.00 148 97.97 99.32 1.73e-97 . . . . 15852 1
98 no PDB 2M0J . "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Olfactory Cyclic Nucleotide-gated Ion Channel Complex" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
99 no PDB 2M0K . "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Rat Olfactory Cyclic Nucleotide-gated Ion Channel" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
100 no PDB 2M55 . "Nmr Structure Of The Complex Of An N-terminally Acetylated Alpha- Synuclein Peptide With Calmodulin" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
101 no PDB 2MG5 . "Solution Structure Of Calmodulin Bound To The Target Peptide Of Endothelial Nitrogen Oxide Synthase Phosphorylated At Thr495" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
102 no PDB 2MGU . "Structure Of The Complex Between Calmodulin And The Binding Domain Of Hiv-1 Matrix Protein" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
103 no PDB 2O5G . "Calmodulin-Smooth Muscle Light Chain Kinase Peptide Complex" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
104 no PDB 2O60 . "Calmodulin Bound To Peptide From Neuronal Nitric Oxide Synthase" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
105 no PDB 2R28 . "The Complex Structure Of Calmodulin Bound To A Calcineurin Peptide" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
106 no PDB 2V01 . "Recombinant Vertebrate Calmodulin Complexed With Pb" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
107 no PDB 2V02 . "Recombinant Vertebrate Calmodulin Complexed With Ba" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
108 no PDB 2VAS . "Myosin Vi (Md-Insert2-Cam, Delta-Insert1) Post-Rigor State" . . . . . 100.00 149 97.30 99.32 5.11e-97 . . . . 15852 1
109 no PDB 2VAY . "Calmodulin Complexed With Cav1.1 Iq Peptide" . . . . . 98.65 146 99.32 100.00 8.60e-98 . . . . 15852 1
110 no PDB 2W73 . "High-Resolution Structure Of The Complex Between Calmodulin And A Peptide From Calcineurin A" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
111 no PDB 2WEL . "Crystal Structure Of Su6656-Bound CalciumCALMODULIN- Dependent Protein Kinase Ii Delta In Complex With Calmodulin" . . . . . 100.00 150 99.32 100.00 4.09e-99 . . . . 15852 1
112 no PDB 2X0G . "X-ray Structure Of A Dap-kinase Calmodulin Complex" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
113 no PDB 2X51 . "M6 Delta Insert1" . . . . . 100.00 149 97.30 99.32 5.11e-97 . . . . 15852 1
114 no PDB 2Y4V . "Crystal Structure Of Human Calmodulin In Complex With A Dap Kinase-1 Mutant (W305y) Peptide" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
115 no PDB 2YGG . "Complex Of Cambr And Cam" . . . . . 100.00 150 99.32 100.00 4.42e-99 . . . . 15852 1
116 no PDB 3BXK . "Crystal Structure Of The PQ-Type Calcium Channel (Cav2.1) Iq Domain And Ca2+calmodulin Complex" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
117 no PDB 3BXL . "Crystal Structure Of The R-Type Calcium Channel (Cav2.3) Iq Domain And Ca2+calmodulin Complex" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
118 no PDB 3BYA . "Structure Of A Calmodulin Complex" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
119 no PDB 3CLN . "Structure Of Calmodulin Refined At 2.2 Angstroms Resolution" . . . . . 100.00 148 98.65 100.00 1.22e-98 . . . . 15852 1
120 no PDB 3DVE . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain Complex" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
121 no PDB 3DVJ . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain (Without Cloning Artifact, Hm To Tv) Complex" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
122 no PDB 3DVK . "Crystal Structure Of Ca2+CAM-Cav2.3 Iq Domain Complex" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
123 no PDB 3DVM . "Crystal Structure Of Ca2+CAM-Cav2.1 Iq Domain Complex" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
124 no PDB 3EK4 . "Calcium-saturated Gcamp2 Monomer" . . . . . 99.32 449 99.32 100.00 5.97e-95 . . . . 15852 1
125 no PDB 3EK7 . "Calcium-Saturated Gcamp2 Dimer" . . . . . 99.32 449 99.32 100.00 5.97e-95 . . . . 15852 1
126 no PDB 3EK8 . "Calcium-Saturated Gcamp2 T116vG87R MUTANT MONOMER" . . . . . 99.32 449 99.32 100.00 7.01e-95 . . . . 15852 1
127 no PDB 3EKH . "Calcium-Saturated Gcamp2 T116vK378W MUTANT MONOMER" . . . . . 99.32 449 98.64 99.32 6.02e-94 . . . . 15852 1
128 no PDB 3EVU . "Crystal Structure Of Calcium Bound Dimeric Gcamp2, (#1)" . . . . . 99.32 449 99.32 100.00 5.97e-95 . . . . 15852 1
129 no PDB 3EVV . "Crystal Structure Of Calcium Bound Dimeric Gcamp2 (#2)" . . . . . 99.32 449 99.32 100.00 5.97e-95 . . . . 15852 1
130 no PDB 3EWT . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 99.32 100.00 1.81e-99 . . . . 15852 1
131 no PDB 3EWV . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 99.32 100.00 1.81e-99 . . . . 15852 1
132 no PDB 3G43 . "Crystal Structure Of The Calmodulin-Bound Cav1.2 C-Terminal Regulatory Domain Dimer" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
133 no PDB 3GN4 . "Myosin Lever Arm" . . . . . 100.00 149 97.30 99.32 5.11e-97 . . . . 15852 1
134 no PDB 3GOF . "Calmodulin Bound To Peptide From Macrophage Nitric Oxide Synthase" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
135 no PDB 3HR4 . "Human Inos Reductase And Calmodulin Complex" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
136 no PDB 3IF7 . "Structure Of Calmodulin Complexed With Its First Endogenous Inhibitor, Sphingosylphosphorylcholine" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
137 no PDB 3J41 . "Pseudo-atomic Model Of The Aquaporin-0/calmodulin Complex Derived From Electron Microscopy" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
138 no PDB 3L9I . "Myosin Vi Nucleotide-Free (Mdinsert2) L310g Mutant Crystal Structure" . . . . . 100.00 149 97.30 99.32 5.11e-97 . . . . 15852 1
139 no PDB 3O77 . "The Structure Of Ca2+ Sensor (Case-16)" . . . . . 99.32 415 99.32 100.00 3.09e-95 . . . . 15852 1
140 no PDB 3O78 . "The Structure Of Ca2+ Sensor (Case-12)" . . . . . 99.32 415 99.32 100.00 3.09e-95 . . . . 15852 1
141 no PDB 3OXQ . "Crystal Structure Of Ca2+CAM-Cav1.2 Pre-IqIQ DOMAIN COMPLEX" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
142 no PDB 3SG2 . "Crystal Structure Of Gcamp2-t116v,d381y" . . . . . 99.32 449 98.64 99.32 9.80e-94 . . . . 15852 1
143 no PDB 3SG3 . "Crystal Structure Of Gcamp3-d380y" . . . . . 99.32 449 99.32 99.32 2.95e-94 . . . . 15852 1
144 no PDB 3SG4 . "Crystal Structure Of Gcamp3-d380y, Lp(linker 2)" . . . . . 100.00 448 98.65 98.65 2.47e-94 . . . . 15852 1
145 no PDB 3SG5 . "Crystal Structure Of Dimeric Gcamp3-d380y, Qp(linker 1), Lp(linker 2)" . . . . . 100.00 448 98.65 98.65 1.84e-94 . . . . 15852 1
146 no PDB 3SG6 . "Crystal Structure Of Dimeric Gcamp2-lia(linker 1)" . . . . . 99.32 450 99.32 100.00 6.01e-95 . . . . 15852 1
147 no PDB 3SG7 . "Crystal Structure Of Gcamp3-kf(linker 1)" . . . . . 99.32 448 100.00 100.00 2.01e-95 . . . . 15852 1
148 no PDB 3SJQ . "Crystal Structure Of A Small Conductance Potassium Channel Splice Variant Complexed With Calcium-Calmodulin" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
149 no PDB 3SUI . "Crystal Structure Of Ca2+-Calmodulin In Complex With A Trpv1 C- Terminal Peptide" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
150 no PDB 3U0K . "Crystal Structure Of The Genetically Encoded Calcium Indicator Rcamp" . . . . . 99.32 440 99.32 99.32 5.67e-95 . . . . 15852 1
151 no PDB 3WFN . "Crystal Structure Of Nav1.6 Iq Motif In Complex With Apo-cam" . . . . . 100.00 182 99.32 100.00 4.55e-99 . . . . 15852 1
152 no PDB 4ANJ . "Myosin Vi (Mdinsert2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.Alf4)" . . . . . 100.00 149 97.30 99.32 5.11e-97 . . . . 15852 1
153 no PDB 4BW7 . "Calmodulin In Complex With Strontium" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
154 no PDB 4BW8 . "Calmodulin With Small Bend In Central Helix" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
155 no PDB 4BYF . "Crystal Structure Of Human Myosin 1c In Complex With Calmodulin In The Pre-power Stroke State" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
156 no PDB 4CLN . "Structure Of A Recombinant Calmodulin From Drosophila Melanogaster Refined At 2.2-Angstroms Resolution" . . . . . 100.00 148 97.30 99.32 4.78e-97 . . . . 15852 1
157 no PDB 4DBP . "Myosin Vi Nucleotide-free (mdinsert2) D179y Crystal Structure" . . . . . 100.00 149 97.30 99.32 5.11e-97 . . . . 15852 1
158 no PDB 4DBQ . "Myosin Vi D179y (md-insert2-cam, Delta-insert1) Post-rigor State" . . . . . 100.00 149 97.30 99.32 5.11e-97 . . . . 15852 1
159 no PDB 4DCK . "Crystal Structure Of The C-Terminus Of Voltage-Gated Sodium Channel In Complex With Fgf13 And Cam" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
160 no PDB 4DJC . "1.35 A Crystal Structure Of The Nav1.5 Diii-Iv-CaCAM COMPLEX" . . . . . 100.00 152 99.32 100.00 2.15e-99 . . . . 15852 1
161 no PDB 4E50 . "Calmodulin And Ng Peptide Complex" . . . . . 100.00 185 99.32 100.00 1.91e-99 . . . . 15852 1
162 no PDB 4EHQ . "Crystal Structure Of Calmodulin Binding Domain Of Orai1 In Complex With Ca2+CALMODULIN DISPLAYS A UNIQUE BINDING MODE" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
163 no PDB 4G27 . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And P" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
164 no PDB 4G28 . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And E" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
165 no PDB 4HEX . "A Novel Conformation Of Calmodulin" . . . . . 100.00 156 99.32 100.00 1.49e-99 . . . . 15852 1
166 no PDB 4IK1 . "High Resolution Structure Of Gcampj At Ph 8.5" . . . . . 99.32 448 99.32 99.32 2.81e-94 . . . . 15852 1
167 no PDB 4IK3 . "High Resolution Structure Of Gcamp3 At Ph 8.5" . . . . . 99.32 448 100.00 100.00 2.14e-95 . . . . 15852 1
168 no PDB 4IK4 . "High Resolution Structure Of Gcamp3 At Ph 5.0" . . . . . 99.32 448 100.00 100.00 2.14e-95 . . . . 15852 1
169 no PDB 4IK5 . "High Resolution Structure Of Delta-rest-gcamp3" . . . . . 99.32 414 100.00 100.00 7.93e-96 . . . . 15852 1
170 no PDB 4IK8 . "High Resolution Structure Of Gcamp3 Dimer Form 1 At Ph 7.5" . . . . . 99.32 448 100.00 100.00 2.14e-95 . . . . 15852 1
171 no PDB 4IK9 . "High Resolution Structure Of Gcamp3 Dimer Form 2 At Ph 7.5" . . . . . 99.32 448 100.00 100.00 2.14e-95 . . . . 15852 1
172 no PDB 4J9Y . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
173 no PDB 4J9Z . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And N" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
174 no PDB 4JPZ . "Voltage-gated Sodium Channel 1.2 C-terminal Domain In Complex With Fgf13u And Ca2+/calmodulin" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
175 no PDB 4JQ0 . "Voltage-gated Sodium Channel 1.5 C-terminal Domain In Complex With Fgf12b And Ca2+/calmodulin" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
176 no PDB 4L79 . "Crystal Structure Of Nucleotide-free Myosin 1b Residues 1-728 With Bound Calmodulin" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
177 no PDB 4LZX . "Complex Of Iqcg And Ca2+-free Cam" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
178 no PDB 4M1L . "Complex Of Iqcg And Ca2+-bound Cam" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
179 no PDB 4Q5U . "Structure Of Calmodulin Bound To Its Recognition Site From Calcineurin" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
180 no PDB 4QNH . "Calcium-calmodulin (t79d) Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Sk2-a" . . . . . 100.00 149 98.65 99.32 5.21e-98 . . . . 15852 1
181 no PDB 4R8G . "Crystal Structure Of Myosin-1c Tail In Complex With Calmodulin" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
182 no PDB 4UMO . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
183 no PDB 4UPU . "Crystal Structure Of Ip3 3-k Calmodulin Binding Region In Complex With Calmodulin" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
184 no PDB 4V0C . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
185 no DBJ BAA08302 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
186 no DBJ BAA11896 . "calmodulin [Anas platyrhynchos]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
187 no DBJ BAA19786 . "calmodulin [Branchiostoma lanceolatum]" . . . . . 100.00 149 97.30 99.32 5.11e-97 . . . . 15852 1
188 no DBJ BAA19787 . "calmodulin [Branchiostoma floridae]" . . . . . 100.00 149 97.30 99.32 5.11e-97 . . . . 15852 1
189 no DBJ BAA19788 . "calmodulin [Halocynthia roretzi]" . . . . . 100.00 149 97.30 99.32 5.11e-97 . . . . 15852 1
190 no EMBL CAA10601 . "calmodulin [Caenorhabditis elegans]" . . . . . 100.00 149 97.30 98.65 1.17e-96 . . . . 15852 1
191 no EMBL CAA32050 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
192 no EMBL CAA32062 . "calmodulin II [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
193 no EMBL CAA32119 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
194 no EMBL CAA32120 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
195 no GB AAA35635 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
196 no GB AAA35641 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
197 no GB AAA37365 . "calmodulin synthesis [Mus musculus]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
198 no GB AAA40862 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
199 no GB AAA40863 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
200 no PIR JC1305 . "calmodulin - Japanese medaka" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
201 no PIR MCON . "calmodulin - salmon" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 15852 1
202 no PRF 0608335A . calmodulin . . . . . 100.00 148 98.65 99.32 1.05e-97 . . . . 15852 1
203 no PRF 0711223A . calmodulin . . . . . 100.00 148 97.30 99.32 9.94e-97 . . . . 15852 1
204 no REF NP_001008160 . "calmodulin [Xenopus (Silurana) tropicalis]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
205 no REF NP_001009759 . "calmodulin [Ovis aries]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
206 no REF NP_001039714 . "calmodulin [Bos taurus]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
207 no REF NP_001040234 . "calmodulin [Bombyx mori]" . . . . . 100.00 149 97.30 99.32 5.11e-97 . . . . 15852 1
208 no REF NP_001080864 . "calmodulin [Xenopus laevis]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
209 no SP O16305 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 100.00 149 97.30 98.65 1.17e-96 . . . . 15852 1
210 no SP P02594 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 100.00 149 98.65 100.00 1.32e-98 . . . . 15852 1
211 no SP P02595 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 100.00 149 97.30 99.32 1.38e-96 . . . . 15852 1
212 no SP P11121 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 100.00 149 97.97 99.32 1.54e-97 . . . . 15852 1
213 no SP P21251 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 100.00 149 97.97 99.32 9.40e-98 . . . . 15852 1
214 no TPG DAA13808 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 216 97.97 98.65 1.81e-97 . . . . 15852 1
215 no TPG DAA18029 . "TPA: calmodulin [Bos taurus]" . . . . . 100.00 149 97.97 99.32 6.92e-98 . . . . 15852 1
216 no TPG DAA19590 . "TPA: calmodulin 3 [Bos taurus]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
217 no TPG DAA24777 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 1
218 no TPG DAA24988 . "TPA: calmodulin 2-like isoform 1 [Bos taurus]" . . . . . 100.00 149 99.32 100.00 3.87e-99 . . . . 15852 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 . ALA . 15852 1
2 . ASP . 15852 1
3 . GLN . 15852 1
4 . LEU . 15852 1
5 . THR . 15852 1
6 . GLU . 15852 1
7 . GLU . 15852 1
8 . GLN . 15852 1
9 . ILE . 15852 1
10 . ALA . 15852 1
11 . GLU . 15852 1
12 . PHE . 15852 1
13 . LYS . 15852 1
14 . GLU . 15852 1
15 . ALA . 15852 1
16 . PHE . 15852 1
17 . SER . 15852 1
18 . LEU . 15852 1
19 . PHE . 15852 1
20 . ASP . 15852 1
21 . LYS . 15852 1
22 . ASP . 15852 1
23 . GLY . 15852 1
24 . ASP . 15852 1
25 . GLY . 15852 1
26 . THR . 15852 1
27 . ILE . 15852 1
28 . THR . 15852 1
29 . THR . 15852 1
30 . LYS . 15852 1
31 . GLU . 15852 1
32 . LEU . 15852 1
33 . GLY . 15852 1
34 . THR . 15852 1
35 . VAL . 15852 1
36 . MET . 15852 1
37 . ARG . 15852 1
38 . SER . 15852 1
39 . LEU . 15852 1
40 . GLY . 15852 1
41 . GLN . 15852 1
42 . ASN . 15852 1
43 . PRO . 15852 1
44 . THR . 15852 1
45 . GLU . 15852 1
46 . ALA . 15852 1
47 . GLU . 15852 1
48 . LEU . 15852 1
49 . GLN . 15852 1
50 . ASP . 15852 1
51 . MET . 15852 1
52 . ILE . 15852 1
53 . ASN . 15852 1
54 . GLU . 15852 1
55 . VAL . 15852 1
56 . ASP . 15852 1
57 . ALA . 15852 1
58 . ASP . 15852 1
59 . GLY . 15852 1
60 . ASP . 15852 1
61 . GLY . 15852 1
62 . THR . 15852 1
63 . ILE . 15852 1
64 . ASP . 15852 1
65 . PHE . 15852 1
66 . PRO . 15852 1
67 . GLU . 15852 1
68 . PHE . 15852 1
69 . LEU . 15852 1
70 . THR . 15852 1
71 . MET . 15852 1
72 . MET . 15852 1
73 . ALA . 15852 1
74 . ARG . 15852 1
75 . LYS . 15852 1
76 . MET . 15852 1
77 . LYS . 15852 1
78 . ASP . 15852 1
79 . THR . 15852 1
80 . ASP . 15852 1
81 . SER . 15852 1
82 . GLU . 15852 1
83 . GLU . 15852 1
84 . GLU . 15852 1
85 . ILE . 15852 1
86 . ARG . 15852 1
87 . GLU . 15852 1
88 . ALA . 15852 1
89 . PHE . 15852 1
90 . ARG . 15852 1
91 . VAL . 15852 1
92 . PHE . 15852 1
93 . ASP . 15852 1
94 . LYS . 15852 1
95 . ASP . 15852 1
96 . GLY . 15852 1
97 . ASN . 15852 1
98 . GLY . 15852 1
99 . TYR . 15852 1
100 . ILE . 15852 1
101 . SER . 15852 1
102 . ALA . 15852 1
103 . ALA . 15852 1
104 . GLU . 15852 1
105 . LEU . 15852 1
106 . ARG . 15852 1
107 . HIS . 15852 1
108 . VAL . 15852 1
109 . MET . 15852 1
110 . THR . 15852 1
111 . ASN . 15852 1
112 . LEU . 15852 1
113 . GLY . 15852 1
114 . GLU . 15852 1
115 . LYS . 15852 1
116 . LEU . 15852 1
117 . THR . 15852 1
118 . ASP . 15852 1
119 . GLU . 15852 1
120 . GLU . 15852 1
121 . VAL . 15852 1
122 . ASP . 15852 1
123 . GLU . 15852 1
124 . MET . 15852 1
125 . ILE . 15852 1
126 . ARG . 15852 1
127 . GLU . 15852 1
128 . ALA . 15852 1
129 . ASP . 15852 1
130 . ILE . 15852 1
131 . ASP . 15852 1
132 . GLY . 15852 1
133 . ASP . 15852 1
134 . GLY . 15852 1
135 . GLN . 15852 1
136 . VAL . 15852 1
137 . ASN . 15852 1
138 . TYR . 15852 1
139 . GLU . 15852 1
140 . GLU . 15852 1
141 . PHE . 15852 1
142 . VAL . 15852 1
143 . GLN . 15852 1
144 . MET . 15852 1
145 . MET . 15852 1
146 . THR . 15852 1
147 . ALA . 15852 1
148 . LYS . 15852 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
. ALA 1 1 15852 1
. ASP 2 2 15852 1
. GLN 3 3 15852 1
. LEU 4 4 15852 1
. THR 5 5 15852 1
. GLU 6 6 15852 1
. GLU 7 7 15852 1
. GLN 8 8 15852 1
. ILE 9 9 15852 1
. ALA 10 10 15852 1
. GLU 11 11 15852 1
. PHE 12 12 15852 1
. LYS 13 13 15852 1
. GLU 14 14 15852 1
. ALA 15 15 15852 1
. PHE 16 16 15852 1
. SER 17 17 15852 1
. LEU 18 18 15852 1
. PHE 19 19 15852 1
. ASP 20 20 15852 1
. LYS 21 21 15852 1
. ASP 22 22 15852 1
. GLY 23 23 15852 1
. ASP 24 24 15852 1
. GLY 25 25 15852 1
. THR 26 26 15852 1
. ILE 27 27 15852 1
. THR 28 28 15852 1
. THR 29 29 15852 1
. LYS 30 30 15852 1
. GLU 31 31 15852 1
. LEU 32 32 15852 1
. GLY 33 33 15852 1
. THR 34 34 15852 1
. VAL 35 35 15852 1
. MET 36 36 15852 1
. ARG 37 37 15852 1
. SER 38 38 15852 1
. LEU 39 39 15852 1
. GLY 40 40 15852 1
. GLN 41 41 15852 1
. ASN 42 42 15852 1
. PRO 43 43 15852 1
. THR 44 44 15852 1
. GLU 45 45 15852 1
. ALA 46 46 15852 1
. GLU 47 47 15852 1
. LEU 48 48 15852 1
. GLN 49 49 15852 1
. ASP 50 50 15852 1
. MET 51 51 15852 1
. ILE 52 52 15852 1
. ASN 53 53 15852 1
. GLU 54 54 15852 1
. VAL 55 55 15852 1
. ASP 56 56 15852 1
. ALA 57 57 15852 1
. ASP 58 58 15852 1
. GLY 59 59 15852 1
. ASP 60 60 15852 1
. GLY 61 61 15852 1
. THR 62 62 15852 1
. ILE 63 63 15852 1
. ASP 64 64 15852 1
. PHE 65 65 15852 1
. PRO 66 66 15852 1
. GLU 67 67 15852 1
. PHE 68 68 15852 1
. LEU 69 69 15852 1
. THR 70 70 15852 1
. MET 71 71 15852 1
. MET 72 72 15852 1
. ALA 73 73 15852 1
. ARG 74 74 15852 1
. LYS 75 75 15852 1
. MET 76 76 15852 1
. LYS 77 77 15852 1
. ASP 78 78 15852 1
. THR 79 79 15852 1
. ASP 80 80 15852 1
. SER 81 81 15852 1
. GLU 82 82 15852 1
. GLU 83 83 15852 1
. GLU 84 84 15852 1
. ILE 85 85 15852 1
. ARG 86 86 15852 1
. GLU 87 87 15852 1
. ALA 88 88 15852 1
. PHE 89 89 15852 1
. ARG 90 90 15852 1
. VAL 91 91 15852 1
. PHE 92 92 15852 1
. ASP 93 93 15852 1
. LYS 94 94 15852 1
. ASP 95 95 15852 1
. GLY 96 96 15852 1
. ASN 97 97 15852 1
. GLY 98 98 15852 1
. TYR 99 99 15852 1
. ILE 100 100 15852 1
. SER 101 101 15852 1
. ALA 102 102 15852 1
. ALA 103 103 15852 1
. GLU 104 104 15852 1
. LEU 105 105 15852 1
. ARG 106 106 15852 1
. HIS 107 107 15852 1
. VAL 108 108 15852 1
. MET 109 109 15852 1
. THR 110 110 15852 1
. ASN 111 111 15852 1
. LEU 112 112 15852 1
. GLY 113 113 15852 1
. GLU 114 114 15852 1
. LYS 115 115 15852 1
. LEU 116 116 15852 1
. THR 117 117 15852 1
. ASP 118 118 15852 1
. GLU 119 119 15852 1
. GLU 120 120 15852 1
. VAL 121 121 15852 1
. ASP 122 122 15852 1
. GLU 123 123 15852 1
. MET 124 124 15852 1
. ILE 125 125 15852 1
. ARG 126 126 15852 1
. GLU 127 127 15852 1
. ALA 128 128 15852 1
. ASP 129 129 15852 1
. ILE 130 130 15852 1
. ASP 131 131 15852 1
. GLY 132 132 15852 1
. ASP 133 133 15852 1
. GLY 134 134 15852 1
. GLN 135 135 15852 1
. VAL 136 136 15852 1
. ASN 137 137 15852 1
. TYR 138 138 15852 1
. GLU 139 139 15852 1
. GLU 140 140 15852 1
. PHE 141 141 15852 1
. VAL 142 142 15852 1
. GLN 143 143 15852 1
. MET 144 144 15852 1
. MET 145 145 15852 1
. THR 146 146 15852 1
. ALA 147 147 15852 1
. LYS 148 148 15852 1
stop_
save_
save_CA
_Entity.Sf_category entity
_Entity.Sf_framecode CA
_Entity.Entry_ID 15852
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name CA
_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 CA
_Entity.Nonpolymer_comp_label $chem_comp_CA
_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 . CA . 15852 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 15852
_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 $calmodulin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15852 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 15852
_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 $calmodulin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET16b-CaM . . . . . . 15852 1
stop_
save_
#################################
# Polymer residues and ligands #
#################################
save_chem_comp_CA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_CA
_Chem_comp.Entry_ID 15852
_Chem_comp.ID CA
_Chem_comp.Provenance .
_Chem_comp.Name 'CALCIUM ION'
_Chem_comp.Type non-polymer
_Chem_comp.BMRB_code .
_Chem_comp.PDB_code CA
_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 CA
_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 Ca
_Chem_comp.Formula_weight 40.078
_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 18:14:40 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
[Ca++] SMILES CACTVS 3.341 15852 CA
[Ca++] SMILES_CANONICAL CACTVS 3.341 15852 CA
[Ca+2] SMILES ACDLabs 10.04 15852 CA
[Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 15852 CA
[Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15852 CA
InChI=1/Ca/q+2 InChI InChI 1.01 15852 CA
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
calcium 'SYSTEMATIC NAME' ACDLabs 10.04 15852 CA
'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15852 CA
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
CA . CA . . CA . N . 2 . . . . no no . . . . . . . . . . . . . . . 15852 CA
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 15852
_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 calmodulin '[U-100% 13C; U-100% 15N]' . . 1 $calmodulin . . 0.4 . . mM . . . . 15852 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 15852
_Sample.ID 2
_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 calmodulin '[U-100% 15N]' . . 1 $calmodulin . . 0.4 . . mM . . . . 15852 2
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 15852
_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' 0.15 . M 15852 1
pH 7.5 . pH 15852 1
pressure 1 . atm 15852 1
temperature 298 . K 15852 1
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Software.Sf_category software
_Software.Sf_framecode TOPSPIN
_Software.Entry_ID 15852
_Software.ID 1
_Software.Name TOPSPIN
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bruker Biospin' . . 15852 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 15852 1
processing 15852 1
stop_
save_
save_CARA
_Software.Sf_category software
_Software.Sf_framecode CARA
_Software.Entry_ID 15852
_Software.ID 2
_Software.Name CARA
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Keller and Wuthrich' . . 15852 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 15852 2
stop_
save_
save_X-PLOR_NIH
_Software.Sf_category software
_Software.Sf_framecode X-PLOR_NIH
_Software.Entry_ID 15852
_Software.ID 3
_Software.Name 'X-PLOR NIH'
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Schwieters, Kuszewski, Tjandra and Clore' . . 15852 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 15852 3
'structure solution' 15852 3
stop_
save_
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 15852
_Software.ID 4
_Software.Name SPARKY
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 15852 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 15852 4
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 15852
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 15852
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 700
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 15852
_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 . 500 . . . 15852 1
2 spectrometer_2 Bruker Avance . 700 . . . 15852 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 15852
_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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15852 1
2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15852 1
3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15852 1
4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15852 1
5 IPAP no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15852 1
6 'relaxation measurement' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15852 1
7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15852 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 15852
_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 dioxane 'methyl carbon' . . . . ppm 69.46 external direct 1.0 . . . . . . . . . 15852 1
H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 15852 1
N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 15852 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_Ca4CaM
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Ca4CaM
_Assigned_chem_shift_list.Entry_ID 15852
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_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' . . . 15852 1
2 '3D HNCO' . . . 15852 1
3 '3D HNCA' . . . 15852 1
4 '3D CBCA(CO)NH' . . . 15852 1
7 '3D HNCACB' . . . 15852 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 $TOPSPIN . . 15852 1
2 $CARA . . 15852 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 ALA H H 1 8.891 0.01 . 1 . . . . 1 A HN . 15852 1
2 . 1 1 1 1 ALA C C 13 177.027 0.2 . 1 . . . . 1 A C . 15852 1
3 . 1 1 1 1 ALA CA C 13 52.621 0.2 . 1 . . . . 1 A CA . 15852 1
4 . 1 1 1 1 ALA CB C 13 17.854 0.2 . 1 . . . . 1 A CB . 15852 1
5 . 1 1 1 1 ALA N N 15 124.240 0.2 . 1 . . . . 1 A N . 15852 1
6 . 1 1 2 2 ASP H H 1 8.024 0.01 . 1 . . . . 2 D HN . 15852 1
7 . 1 1 2 2 ASP C C 13 175.427 0.2 . 1 . . . . 2 D C . 15852 1
8 . 1 1 2 2 ASP CA C 13 54.127 0.2 . 1 . . . . 2 D CA . 15852 1
9 . 1 1 2 2 ASP CB C 13 39.841 0.2 . 1 . . . . 2 D CB . 15852 1
10 . 1 1 2 2 ASP N N 15 116.838 0.2 . 1 . . . . 2 D N . 15852 1
11 . 1 1 3 3 GLN H H 1 7.903 0.01 . 1 . . . . 3 Q HN . 15852 1
12 . 1 1 3 3 GLN C C 13 175.027 0.2 . 1 . . . . 3 Q C . 15852 1
13 . 1 1 3 3 GLN CA C 13 54.584 0.2 . 1 . . . . 3 Q CA . 15852 1
14 . 1 1 3 3 GLN CB C 13 28.569 0.2 . 1 . . . . 3 Q CB . 15852 1
15 . 1 1 3 3 GLN N N 15 117.852 0.2 . 1 . . . . 3 Q N . 15852 1
16 . 1 1 4 4 LEU H H 1 7.778 0.01 . 1 . . . . 4 L HN . 15852 1
17 . 1 1 4 4 LEU C C 13 176.727 0.2 . 1 . . . . 4 L C . 15852 1
18 . 1 1 4 4 LEU CA C 13 53.378 0.2 . 1 . . . . 4 L CA . 15852 1
19 . 1 1 4 4 LEU CB C 13 42.681 0.2 . 1 . . . . 4 L CB . 15852 1
20 . 1 1 4 4 LEU N N 15 121.696 0.2 . 1 . . . . 4 L N . 15852 1
21 . 1 1 5 5 THR H H 1 8.671 0.01 . 1 . . . . 5 T HN . 15852 1
22 . 1 1 5 5 THR C C 13 174.327 0.2 . 1 . . . . 5 T C . 15852 1
23 . 1 1 5 5 THR CA C 13 59.569 0.2 . 1 . . . . 5 T CA . 15852 1
24 . 1 1 5 5 THR CB C 13 70.237 0.2 . 1 . . . . 5 T CB . 15852 1
25 . 1 1 5 5 THR N N 15 112.801 0.2 . 1 . . . . 5 T N . 15852 1
26 . 1 1 6 6 GLU H H 1 8.742 0.01 . 1 . . . . 6 E HN . 15852 1
27 . 1 1 6 6 GLU C C 13 178.727 0.2 . 1 . . . . 6 E C . 15852 1
28 . 1 1 6 6 GLU CA C 13 59.156 0.2 . 1 . . . . 6 E CA . 15852 1
29 . 1 1 6 6 GLU CB C 13 28.219 0.2 . 1 . . . . 6 E CB . 15852 1
30 . 1 1 6 6 GLU N N 15 120.562 0.2 . 1 . . . . 6 E N . 15852 1
31 . 1 1 7 7 GLU H H 1 8.604 0.01 . 1 . . . . 7 E HN . 15852 1
32 . 1 1 7 7 GLU C C 13 178.427 0.2 . 1 . . . . 7 E C . 15852 1
33 . 1 1 7 7 GLU CA C 13 59.156 0.2 . 1 . . . . 7 E CA . 15852 1
34 . 1 1 7 7 GLU CB C 13 28.091 0.2 . 1 . . . . 7 E CB . 15852 1
35 . 1 1 7 7 GLU N N 15 119.507 0.2 . 1 . . . . 7 E N . 15852 1
36 . 1 1 8 8 GLN H H 1 7.650 0.01 . 1 . . . . 8 Q HN . 15852 1
37 . 1 1 8 8 GLN C C 13 177.327 0.2 . 1 . . . . 8 Q C . 15852 1
38 . 1 1 8 8 GLN CA C 13 57.735 0.2 . 1 . . . . 8 Q CA . 15852 1
39 . 1 1 8 8 GLN CB C 13 28.133 0.2 . 1 . . . . 8 Q CB . 15852 1
40 . 1 1 8 8 GLN N N 15 120.254 0.2 . 1 . . . . 8 Q N . 15852 1
41 . 1 1 9 9 ILE H H 1 8.291 0.01 . 1 . . . . 9 I HN . 15852 1
42 . 1 1 9 9 ILE C C 13 176.927 0.2 . 1 . . . . 9 I C . 15852 1
43 . 1 1 9 9 ILE CA C 13 65.500 0.2 . 1 . . . . 9 I CA . 15852 1
44 . 1 1 9 9 ILE CB C 13 36.849 0.2 . 1 . . . . 9 I CB . 15852 1
45 . 1 1 9 9 ILE N N 15 118.913 0.2 . 1 . . . . 9 I N . 15852 1
46 . 1 1 10 10 ALA H H 1 7.966 0.01 . 1 . . . . 10 A HN . 15852 1
47 . 1 1 10 10 ALA C C 13 180.227 0.2 . 1 . . . . 10 A C . 15852 1
48 . 1 1 10 10 ALA CA C 13 54.604 0.2 . 1 . . . . 10 A CA . 15852 1
49 . 1 1 10 10 ALA CB C 13 16.841 0.2 . 1 . . . . 10 A CB . 15852 1
50 . 1 1 10 10 ALA N N 15 120.995 0.2 . 1 . . . . 10 A N . 15852 1
51 . 1 1 11 11 GLU H H 1 7.668 0.01 . 1 . . . . 11 E HN . 15852 1
52 . 1 1 11 11 GLU C C 13 179.127 0.2 . 1 . . . . 11 E C . 15852 1
53 . 1 1 11 11 GLU CA C 13 58.637 0.2 . 1 . . . . 11 E CA . 15852 1
54 . 1 1 11 11 GLU CB C 13 28.399 0.2 . 1 . . . . 11 E CB . 15852 1
55 . 1 1 11 11 GLU N N 15 119.633 0.2 . 1 . . . . 11 E N . 15852 1
56 . 1 1 12 12 PHE H H 1 8.502 0.01 . 1 . . . . 12 F HN . 15852 1
57 . 1 1 12 12 PHE C C 13 178.127 0.2 . 1 . . . . 12 F C . 15852 1
58 . 1 1 12 12 PHE CA C 13 57.763 0.2 . 1 . . . . 12 F CA . 15852 1
59 . 1 1 12 12 PHE CB C 13 36.323 0.2 . 1 . . . . 12 F CB . 15852 1
60 . 1 1 12 12 PHE N N 15 119.166 0.2 . 1 . . . . 12 F N . 15852 1
61 . 1 1 13 13 LYS H H 1 9.233 0.01 . 1 . . . . 13 K HN . 15852 1
62 . 1 1 13 13 LYS C C 13 178.327 0.2 . 1 . . . . 13 K C . 15852 1
63 . 1 1 13 13 LYS CA C 13 59.341 0.2 . 1 . . . . 13 K CA . 15852 1
64 . 1 1 13 13 LYS CB C 13 31.040 0.2 . 1 . . . . 13 K CB . 15852 1
65 . 1 1 13 13 LYS N N 15 123.020 0.2 . 1 . . . . 13 K N . 15852 1
66 . 1 1 14 14 GLU H H 1 7.793 0.01 . 1 . . . . 14 E HN . 15852 1
67 . 1 1 14 14 GLU C C 13 178.927 0.2 . 1 . . . . 14 E C . 15852 1
68 . 1 1 14 14 GLU CA C 13 58.849 0.2 . 1 . . . . 14 E CA . 15852 1
69 . 1 1 14 14 GLU CB C 13 28.308 0.2 . 1 . . . . 14 E CB . 15852 1
70 . 1 1 14 14 GLU N N 15 120.474 0.2 . 1 . . . . 14 E N . 15852 1
71 . 1 1 15 15 ALA H H 1 7.997 0.01 . 1 . . . . 15 A HN . 15852 1
72 . 1 1 15 15 ALA C C 13 177.327 0.2 . 1 . . . . 15 A C . 15852 1
73 . 1 1 15 15 ALA CA C 13 54.424 0.2 . 1 . . . . 15 A CA . 15852 1
74 . 1 1 15 15 ALA CB C 13 17.117 0.2 . 1 . . . . 15 A CB . 15852 1
75 . 1 1 15 15 ALA N N 15 122.017 0.2 . 1 . . . . 15 A N . 15852 1
76 . 1 1 16 16 PHE H H 1 8.765 0.01 . 1 . . . . 16 F HN . 15852 1
77 . 1 1 16 16 PHE C C 13 176.627 0.2 . 1 . . . . 16 F C . 15852 1
78 . 1 1 16 16 PHE CA C 13 61.489 0.2 . 1 . . . . 16 F CA . 15852 1
79 . 1 1 16 16 PHE CB C 13 38.685 0.2 . 1 . . . . 16 F CB . 15852 1
80 . 1 1 16 16 PHE N N 15 119.132 0.2 . 1 . . . . 16 F N . 15852 1
81 . 1 1 17 17 SER H H 1 8.075 0.01 . 1 . . . . 17 S HN . 15852 1
82 . 1 1 17 17 SER C C 13 173.927 0.2 . 1 . . . . 17 S C . 15852 1
83 . 1 1 17 17 SER CA C 13 60.699 0.2 . 1 . . . . 17 S CA . 15852 1
84 . 1 1 17 17 SER CB C 13 62.353 0.2 . 1 . . . . 17 S CB . 15852 1
85 . 1 1 17 17 SER N N 15 112.561 0.2 . 1 . . . . 17 S N . 15852 1
86 . 1 1 18 18 LEU H H 1 7.323 0.01 . 1 . . . . 18 L HN . 15852 1
87 . 1 1 18 18 LEU C C 13 176.927 0.2 . 1 . . . . 18 L C . 15852 1
88 . 1 1 18 18 LEU CA C 13 56.462 0.2 . 1 . . . . 18 L CA . 15852 1
89 . 1 1 18 18 LEU CB C 13 40.171 0.2 . 1 . . . . 18 L CB . 15852 1
90 . 1 1 18 18 LEU N N 15 121.075 0.2 . 1 . . . . 18 L N . 15852 1
91 . 1 1 19 19 PHE H H 1 7.002 0.01 . 1 . . . . 19 F HN . 15852 1
92 . 1 1 19 19 PHE CA C 13 59.270 0.2 . 1 . . . . 19 F CA . 15852 1
93 . 1 1 19 19 PHE CB C 13 40.480 0.2 . 1 . . . . 19 F CB . 15852 1
94 . 1 1 19 19 PHE N N 15 113.026 0.2 . 1 . . . . 19 F N . 15852 1
95 . 1 1 20 20 ASP H H 1 7.992 0.01 . 1 . . . . 20 D HN . 15852 1
96 . 1 1 20 20 ASP C C 13 176.727 0.2 . 1 . . . . 20 D C . 15852 1
97 . 1 1 20 20 ASP CA C 13 51.758 0.2 . 1 . . . . 20 D CA . 15852 1
98 . 1 1 20 20 ASP CB C 13 37.911 0.2 . 1 . . . . 20 D CB . 15852 1
99 . 1 1 20 20 ASP N N 15 117.269 0.2 . 1 . . . . 20 D N . 15852 1
100 . 1 1 21 21 LYS H H 1 7.872 0.01 . 1 . . . . 21 K HN . 15852 1
101 . 1 1 21 21 LYS C C 13 177.527 0.2 . 1 . . . . 21 K C . 15852 1
102 . 1 1 21 21 LYS CA C 13 57.835 0.2 . 1 . . . . 21 K CA . 15852 1
103 . 1 1 21 21 LYS CB C 13 31.700 0.2 . 1 . . . . 21 K CB . 15852 1
104 . 1 1 21 21 LYS N N 15 124.741 0.2 . 1 . . . . 21 K N . 15852 1
105 . 1 1 22 22 ASP H H 1 7.875 0.01 . 1 . . . . 22 D HN . 15852 1
106 . 1 1 22 22 ASP C C 13 176.827 0.2 . 1 . . . . 22 D C . 15852 1
107 . 1 1 22 22 ASP CA C 13 51.897 0.2 . 1 . . . . 22 D CA . 15852 1
108 . 1 1 22 22 ASP CB C 13 38.512 0.2 . 1 . . . . 22 D CB . 15852 1
109 . 1 1 22 22 ASP N N 15 113.683 0.2 . 1 . . . . 22 D N . 15852 1
110 . 1 1 23 23 GLY H H 1 7.636 0.01 . 1 . . . . 23 G HN . 15852 1
111 . 1 1 23 23 GLY C C 13 174.427 0.2 . 1 . . . . 23 G C . 15852 1
112 . 1 1 23 23 GLY CA C 13 46.295 0.2 . 1 . . . . 23 G CA . 15852 1
113 . 1 1 23 23 GLY N N 15 109.115 0.2 . 1 . . . . 23 G N . 15852 1
114 . 1 1 24 24 ASP H H 1 8.317 0.01 . 1 . . . . 24 D HN . 15852 1
115 . 1 1 24 24 ASP C C 13 176.627 0.2 . 1 . . . . 24 D C . 15852 1
116 . 1 1 24 24 ASP CA C 13 52.867 0.2 . 1 . . . . 24 D CA . 15852 1
117 . 1 1 24 24 ASP CB C 13 39.394 0.2 . 1 . . . . 24 D CB . 15852 1
118 . 1 1 24 24 ASP N N 15 120.452 0.2 . 1 . . . . 24 D N . 15852 1
119 . 1 1 25 25 GLY H H 1 10.521 0.01 . 1 . . . . 25 G HN . 15852 1
120 . 1 1 25 25 GLY C C 13 173.127 0.2 . 1 . . . . 25 G C . 15852 1
121 . 1 1 25 25 GLY CA C 13 44.525 0.2 . 1 . . . . 25 G CA . 15852 1
122 . 1 1 25 25 GLY N N 15 113.042 0.2 . 1 . . . . 25 G N . 15852 1
123 . 1 1 26 26 THR H H 1 8.054 0.01 . 1 . . . . 26 T HN . 15852 1
124 . 1 1 26 26 THR C C 13 172.427 0.2 . 1 . . . . 26 T C . 15852 1
125 . 1 1 26 26 THR CA C 13 58.557 0.2 . 1 . . . . 26 T CA . 15852 1
126 . 1 1 26 26 THR CB C 13 71.968 0.2 . 1 . . . . 26 T CB . 15852 1
127 . 1 1 26 26 THR N N 15 111.235 0.2 . 1 . . . . 26 T N . 15852 1
128 . 1 1 27 27 ILE H H 1 9.831 0.01 . 1 . . . . 27 I HN . 15852 1
129 . 1 1 27 27 ILE C C 13 175.427 0.2 . 1 . . . . 27 I C . 15852 1
130 . 1 1 27 27 ILE CA C 13 59.822 0.2 . 1 . . . . 27 I CA . 15852 1
131 . 1 1 27 27 ILE CB C 13 38.904 0.2 . 1 . . . . 27 I CB . 15852 1
132 . 1 1 27 27 ILE N N 15 126.564 0.2 . 1 . . . . 27 I N . 15852 1
133 . 1 1 28 28 THR H H 1 8.356 0.01 . 1 . . . . 28 T HN . 15852 1
134 . 1 1 28 28 THR C C 13 176.027 0.2 . 1 . . . . 28 T C . 15852 1
135 . 1 1 28 28 THR CA C 13 58.699 0.2 . 1 . . . . 28 T CA . 15852 1
136 . 1 1 28 28 THR CB C 13 71.562 0.2 . 1 . . . . 28 T CB . 15852 1
137 . 1 1 28 28 THR N N 15 116.404 0.2 . 1 . . . . 28 T N . 15852 1
138 . 1 1 29 29 THR H H 1 9.173 0.01 . 1 . . . . 29 T HN . 15852 1
139 . 1 1 29 29 THR C C 13 176.727 0.2 . 1 . . . . 29 T C . 15852 1
140 . 1 1 29 29 THR CA C 13 65.676 0.2 . 1 . . . . 29 T CA . 15852 1
141 . 1 1 29 29 THR CB C 13 67.101 0.2 . 1 . . . . 29 T CB . 15852 1
142 . 1 1 29 29 THR N N 15 112.601 0.2 . 1 . . . . 29 T N . 15852 1
143 . 1 1 30 30 LYS H H 1 7.584 0.01 . 1 . . . . 30 K HN . 15852 1
144 . 1 1 30 30 LYS C C 13 179.127 0.2 . 1 . . . . 30 K C . 15852 1
145 . 1 1 30 30 LYS CA C 13 58.369 0.2 . 1 . . . . 30 K CA . 15852 1
146 . 1 1 30 30 LYS CB C 13 31.588 0.2 . 1 . . . . 30 K CB . 15852 1
147 . 1 1 30 30 LYS N N 15 121.073 0.2 . 1 . . . . 30 K N . 15852 1
148 . 1 1 31 31 GLU H H 1 7.621 0.01 . 1 . . . . 31 E HN . 15852 1
149 . 1 1 31 31 GLU C C 13 178.627 0.2 . 1 . . . . 31 E C . 15852 1
150 . 1 1 31 31 GLU CA C 13 58.791 0.2 . 1 . . . . 31 E CA . 15852 1
151 . 1 1 31 31 GLU CB C 13 28.713 0.2 . 1 . . . . 31 E CB . 15852 1
152 . 1 1 31 31 GLU N N 15 122.237 0.2 . 1 . . . . 31 E N . 15852 1
153 . 1 1 32 32 LEU H H 1 8.608 0.01 . 1 . . . . 32 L HN . 15852 1
154 . 1 1 32 32 LEU C C 13 178.227 0.2 . 1 . . . . 32 L C . 15852 1
155 . 1 1 32 32 LEU CA C 13 57.595 0.2 . 1 . . . . 32 L CA . 15852 1
156 . 1 1 32 32 LEU CB C 13 42.190 0.2 . 1 . . . . 32 L CB . 15852 1
157 . 1 1 32 32 LEU N N 15 120.194 0.2 . 1 . . . . 32 L N . 15852 1
158 . 1 1 33 33 GLY H H 1 8.546 0.01 . 1 . . . . 33 G HN . 15852 1
159 . 1 1 33 33 GLY C C 13 174.227 0.2 . 1 . . . . 33 G C . 15852 1
160 . 1 1 33 33 GLY CA C 13 47.393 0.2 . 1 . . . . 33 G CA . 15852 1
161 . 1 1 33 33 GLY N N 15 104.407 0.2 . 1 . . . . 33 G N . 15852 1
162 . 1 1 34 34 THR H H 1 8.007 0.01 . 1 . . . . 34 T HN . 15852 1
163 . 1 1 34 34 THR C C 13 176.427 0.2 . 1 . . . . 34 T C . 15852 1
164 . 1 1 34 34 THR CA C 13 66.415 0.2 . 1 . . . . 34 T CA . 15852 1
165 . 1 1 34 34 THR CB C 13 68.039 0.2 . 1 . . . . 34 T CB . 15852 1
166 . 1 1 34 34 THR N N 15 117.523 0.2 . 1 . . . . 34 T N . 15852 1
167 . 1 1 35 35 VAL H H 1 7.433 0.01 . 1 . . . . 35 V HN . 15852 1
168 . 1 1 35 35 VAL C C 13 178.027 0.2 . 1 . . . . 35 V C . 15852 1
169 . 1 1 35 35 VAL CA C 13 65.680 0.2 . 1 . . . . 35 V CA . 15852 1
170 . 1 1 35 35 VAL CB C 13 30.583 0.2 . 1 . . . . 35 V CB . 15852 1
171 . 1 1 35 35 VAL N N 15 121.336 0.2 . 1 . . . . 35 V N . 15852 1
172 . 1 1 36 36 MET H H 1 8.343 0.01 . 1 . . . . 36 M HN . 15852 1
173 . 1 1 36 36 MET C C 13 178.327 0.2 . 1 . . . . 36 M C . 15852 1
174 . 1 1 36 36 MET CA C 13 58.870 0.2 . 1 . . . . 36 M CA . 15852 1
175 . 1 1 36 36 MET CB C 13 30.785 0.2 . 1 . . . . 36 M CB . 15852 1
176 . 1 1 36 36 MET N N 15 117.936 0.2 . 1 . . . . 36 M N . 15852 1
177 . 1 1 37 37 ARG H H 1 8.518 0.01 . 1 . . . . 37 R HN . 15852 1
178 . 1 1 37 37 ARG C C 13 180.427 0.2 . 1 . . . . 37 R C . 15852 1
179 . 1 1 37 37 ARG CA C 13 58.083 0.2 . 1 . . . . 37 R CA . 15852 1
180 . 1 1 37 37 ARG CB C 13 29.234 0.2 . 1 . . . . 37 R CB . 15852 1
181 . 1 1 37 37 ARG N N 15 117.811 0.2 . 1 . . . . 37 R N . 15852 1
182 . 1 1 38 38 SER H H 1 7.840 0.01 . 1 . . . . 38 S HN . 15852 1
183 . 1 1 38 38 SER C C 13 173.727 0.2 . 1 . . . . 38 S C . 15852 1
184 . 1 1 38 38 SER CA C 13 60.849 0.2 . 1 . . . . 38 S CA . 15852 1
185 . 1 1 38 38 SER CB C 13 62.021 0.2 . 1 . . . . 38 S CB . 15852 1
186 . 1 1 38 38 SER N N 15 118.522 0.2 . 1 . . . . 38 S N . 15852 1
187 . 1 1 39 39 LEU H H 1 7.292 0.01 . 1 . . . . 39 L HN . 15852 1
188 . 1 1 39 39 LEU C C 13 175.927 0.2 . 1 . . . . 39 L C . 15852 1
189 . 1 1 39 39 LEU CA C 13 53.041 0.2 . 1 . . . . 39 L CA . 15852 1
190 . 1 1 39 39 LEU CB C 13 40.196 0.2 . 1 . . . . 39 L CB . 15852 1
191 . 1 1 39 39 LEU N N 15 119.833 0.2 . 1 . . . . 39 L N . 15852 1
192 . 1 1 40 40 GLY H H 1 7.638 0.01 . 1 . . . . 40 G HN . 15852 1
193 . 1 1 40 40 GLY C C 13 173.627 0.2 . 1 . . . . 40 G C . 15852 1
194 . 1 1 40 40 GLY CA C 13 44.903 0.2 . 1 . . . . 40 G CA . 15852 1
195 . 1 1 40 40 GLY N N 15 105.424 0.2 . 1 . . . . 40 G N . 15852 1
196 . 1 1 41 41 GLN H H 1 7.825 0.01 . 1 . . . . 41 Q HN . 15852 1
197 . 1 1 41 41 GLN C C 13 173.427 0.2 . 1 . . . . 41 Q C . 15852 1
198 . 1 1 41 41 GLN CA C 13 53.454 0.2 . 1 . . . . 41 Q CA . 15852 1
199 . 1 1 41 41 GLN CB C 13 29.453 0.2 . 1 . . . . 41 Q CB . 15852 1
200 . 1 1 41 41 GLN N N 15 118.169 0.2 . 1 . . . . 41 Q N . 15852 1
201 . 1 1 42 42 ASN H H 1 8.708 0.01 . 1 . . . . 42 N HN . 15852 1
202 . 1 1 42 42 ASN CA C 13 50.529 0.2 . 1 . . . . 42 N CA . 15852 1
203 . 1 1 42 42 ASN CB C 13 38.363 0.2 . 1 . . . . 42 N CB . 15852 1
204 . 1 1 42 42 ASN N N 15 116.192 0.2 . 1 . . . . 42 N N . 15852 1
205 . 1 1 43 43 PRO C C 13 177.015 0.2 . 1 . . . . 43 P C . 15852 1
206 . 1 1 44 44 THR H H 1 8.781 0.01 . 1 . . . . 44 T HN . 15852 1
207 . 1 1 44 44 THR C C 13 174.627 0.2 . 1 . . . . 44 T C . 15852 1
208 . 1 1 44 44 THR CA C 13 59.569 0.2 . 1 . . . . 44 T CA . 15852 1
209 . 1 1 44 44 THR CB C 13 70.247 0.2 . 1 . . . . 44 T CB . 15852 1
210 . 1 1 44 44 THR N N 15 113.362 0.2 . 1 . . . . 44 T N . 15852 1
211 . 1 1 45 45 GLU H H 1 8.969 0.01 . 1 . . . . 45 E HN . 15852 1
212 . 1 1 45 45 GLU C C 13 178.227 0.2 . 1 . . . . 45 E C . 15852 1
213 . 1 1 45 45 GLU CA C 13 59.089 0.2 . 1 . . . . 45 E CA . 15852 1
214 . 1 1 45 45 GLU CB C 13 27.960 0.2 . 1 . . . . 45 E CB . 15852 1
215 . 1 1 45 45 GLU N N 15 120.454 0.2 . 1 . . . . 45 E N . 15852 1
216 . 1 1 46 46 ALA H H 1 8.217 0.01 . 1 . . . . 46 A HN . 15852 1
217 . 1 1 46 46 ALA C C 13 179.427 0.2 . 1 . . . . 46 A C . 15852 1
218 . 1 1 46 46 ALA CA C 13 54.098 0.2 . 1 . . . . 46 A CA . 15852 1
219 . 1 1 46 46 ALA CB C 13 17.117 0.2 . 1 . . . . 46 A CB . 15852 1
220 . 1 1 46 46 ALA N N 15 120.735 0.2 . 1 . . . . 46 A N . 15852 1
221 . 1 1 47 47 GLU H H 1 7.652 0.01 . 1 . . . . 47 E HN . 15852 1
222 . 1 1 47 47 GLU CA C 13 58.220 0.2 . 1 . . . . 47 E CA . 15852 1
223 . 1 1 47 47 GLU CB C 13 28.729 0.2 . 1 . . . . 47 E CB . 15852 1
224 . 1 1 47 47 GLU N N 15 118.571 0.2 . 1 . . . . 47 E N . 15852 1
225 . 1 1 49 49 GLN H H 1 8.122 0.01 . 1 . . . . 49 Q HN . 15852 1
226 . 1 1 49 49 GLN C C 13 177.727 0.2 . 1 . . . . 49 Q C . 15852 1
227 . 1 1 49 49 GLN CA C 13 57.763 0.2 . 1 . . . . 49 Q CA . 15852 1
228 . 1 1 49 49 GLN CB C 13 27.153 0.2 . 1 . . . . 49 Q CB . 15852 1
229 . 1 1 49 49 GLN N N 15 118.210 0.2 . 1 . . . . 49 Q N . 15852 1
230 . 1 1 50 50 ASP H H 1 8.064 0.01 . 1 . . . . 50 D HN . 15852 1
231 . 1 1 50 50 ASP C C 13 177.927 0.2 . 1 . . . . 50 D C . 15852 1
232 . 1 1 50 50 ASP CA C 13 56.813 0.2 . 1 . . . . 50 D CA . 15852 1
233 . 1 1 50 50 ASP CB C 13 39.384 0.2 . 1 . . . . 50 D CB . 15852 1
234 . 1 1 50 50 ASP N N 15 119.941 0.2 . 1 . . . . 50 D N . 15852 1
235 . 1 1 51 51 MET H H 1 7.786 0.01 . 1 . . . . 51 M HN . 15852 1
236 . 1 1 51 51 MET C C 13 176.227 0.2 . 1 . . . . 51 M C . 15852 1
237 . 1 1 51 51 MET CA C 13 58.470 0.2 . 1 . . . . 51 M CA . 15852 1
238 . 1 1 51 51 MET CB C 13 32.305 0.2 . 1 . . . . 51 M CB . 15852 1
239 . 1 1 51 51 MET N N 15 119.331 0.2 . 1 . . . . 51 M N . 15852 1
240 . 1 1 52 52 ILE H H 1 7.544 0.01 . 1 . . . . 52 I HN . 15852 1
241 . 1 1 52 52 ILE C C 13 177.127 0.2 . 1 . . . . 52 I C . 15852 1
242 . 1 1 52 52 ILE CA C 13 63.996 0.2 . 1 . . . . 52 I CA . 15852 1
243 . 1 1 52 52 ILE CB C 13 36.215 0.2 . 1 . . . . 52 I CB . 15852 1
244 . 1 1 52 52 ILE N N 15 117.492 0.2 . 1 . . . . 52 I N . 15852 1
245 . 1 1 53 53 ASN H H 1 8.546 0.01 . 1 . . . . 53 N HN . 15852 1
246 . 1 1 53 53 ASN C C 13 176.427 0.2 . 1 . . . . 53 N C . 15852 1
247 . 1 1 53 53 ASN CA C 13 55.050 0.2 . 1 . . . . 53 N CA . 15852 1
248 . 1 1 53 53 ASN CB C 13 37.348 0.2 . 1 . . . . 53 N CB . 15852 1
249 . 1 1 53 53 ASN N N 15 117.770 0.2 . 1 . . . . 53 N N . 15852 1
250 . 1 1 54 54 GLU H H 1 7.448 0.01 . 1 . . . . 54 E HN . 15852 1
251 . 1 1 54 54 GLU C C 13 176.627 0.2 . 1 . . . . 54 E C . 15852 1
252 . 1 1 54 54 GLU CA C 13 57.984 0.2 . 1 . . . . 54 E CA . 15852 1
253 . 1 1 54 54 GLU CB C 13 29.351 0.2 . 1 . . . . 54 E CB . 15852 1
254 . 1 1 54 54 GLU N N 15 116.307 0.2 . 1 . . . . 54 E N . 15852 1
255 . 1 1 55 55 VAL H H 1 7.118 0.01 . 1 . . . . 55 V HN . 15852 1
256 . 1 1 55 55 VAL C C 13 174.927 0.2 . 1 . . . . 55 V C . 15852 1
257 . 1 1 55 55 VAL CA C 13 60.110 0.2 . 1 . . . . 55 V CA . 15852 1
258 . 1 1 55 55 VAL CB C 13 31.900 0.2 . 1 . . . . 55 V CB . 15852 1
259 . 1 1 55 55 VAL N N 15 109.685 0.2 . 1 . . . . 55 V N . 15852 1
260 . 1 1 56 56 ASP H H 1 7.699 0.01 . 1 . . . . 56 D HN . 15852 1
261 . 1 1 56 56 ASP C C 13 175.027 0.2 . 1 . . . . 56 D C . 15852 1
262 . 1 1 56 56 ASP CA C 13 53.305 0.2 . 1 . . . . 56 D CA . 15852 1
263 . 1 1 56 56 ASP CB C 13 39.513 0.2 . 1 . . . . 56 D CB . 15852 1
264 . 1 1 56 56 ASP N N 15 121.135 0.2 . 1 . . . . 56 D N . 15852 1
265 . 1 1 57 57 ALA H H 1 8.499 0.01 . 1 . . . . 57 A HN . 15852 1
266 . 1 1 57 57 ALA C C 13 178.027 0.2 . 1 . . . . 57 A C . 15852 1
267 . 1 1 57 57 ALA CA C 13 53.145 0.2 . 1 . . . . 57 A CA . 15852 1
268 . 1 1 57 57 ALA CB C 13 18.757 0.2 . 1 . . . . 57 A CB . 15852 1
269 . 1 1 57 57 ALA N N 15 132.053 0.2 . 1 . . . . 57 A N . 15852 1
270 . 1 1 58 58 ASP H H 1 8.266 0.01 . 1 . . . . 58 D HN . 15852 1
271 . 1 1 58 58 ASP C C 13 177.127 0.2 . 1 . . . . 58 D C . 15852 1
272 . 1 1 58 58 ASP CA C 13 52.010 0.2 . 1 . . . . 58 D CA . 15852 1
273 . 1 1 58 58 ASP CB C 13 38.912 0.2 . 1 . . . . 58 D CB . 15852 1
274 . 1 1 58 58 ASP N N 15 114.369 0.2 . 1 . . . . 58 D N . 15852 1
275 . 1 1 59 59 GLY H H 1 7.542 0.01 . 1 . . . . 59 G HN . 15852 1
276 . 1 1 59 59 GLY C C 13 174.227 0.2 . 1 . . . . 59 G C . 15852 1
277 . 1 1 59 59 GLY CA C 13 46.379 0.2 . 1 . . . . 59 G CA . 15852 1
278 . 1 1 59 59 GLY N N 15 109.155 0.2 . 1 . . . . 59 G N . 15852 1
279 . 1 1 60 60 ASP H H 1 8.277 0.01 . 1 . . . . 60 D HN . 15852 1
280 . 1 1 60 60 ASP C C 13 176.627 0.2 . 1 . . . . 60 D C . 15852 1
281 . 1 1 60 60 ASP CA C 13 53.069 0.2 . 1 . . . . 60 D CA . 15852 1
282 . 1 1 60 60 ASP CB C 13 39.733 0.2 . 1 . . . . 60 D CB . 15852 1
283 . 1 1 60 60 ASP N N 15 120.771 0.2 . 1 . . . . 60 D N . 15852 1
284 . 1 1 61 61 GLY H H 1 10.332 0.01 . 1 . . . . 61 G HN . 15852 1
285 . 1 1 61 61 GLY C C 13 172.627 0.2 . 1 . . . . 61 G C . 15852 1
286 . 1 1 61 61 GLY CA C 13 44.754 0.2 . 1 . . . . 61 G CA . 15852 1
287 . 1 1 61 61 GLY N N 15 112.846 0.2 . 1 . . . . 61 G N . 15852 1
288 . 1 1 62 62 THR H H 1 8.185 0.01 . 1 . . . . 62 T HN . 15852 1
289 . 1 1 62 62 THR C C 13 172.727 0.2 . 1 . . . . 62 T C . 15852 1
290 . 1 1 62 62 THR CA C 13 59.172 0.2 . 1 . . . . 62 T CA . 15852 1
291 . 1 1 62 62 THR CB C 13 71.365 0.2 . 1 . . . . 62 T CB . 15852 1
292 . 1 1 62 62 THR N N 15 111.279 0.2 . 1 . . . . 62 T N . 15852 1
293 . 1 1 63 63 ILE H H 1 8.797 0.01 . 1 . . . . 63 I HN . 15852 1
294 . 1 1 63 63 ILE C C 13 174.927 0.2 . 1 . . . . 63 I C . 15852 1
295 . 1 1 63 63 ILE CA C 13 59.130 0.2 . 1 . . . . 63 I CA . 15852 1
296 . 1 1 63 63 ILE CB C 13 39.508 0.2 . 1 . . . . 63 I CB . 15852 1
297 . 1 1 63 63 ILE N N 15 122.297 0.2 . 1 . . . . 63 I N . 15852 1
298 . 1 1 64 64 ASP H H 1 8.865 0.01 . 1 . . . . 64 D HN . 15852 1
299 . 1 1 64 64 ASP C C 13 175.527 0.2 . 1 . . . . 64 D C . 15852 1
300 . 1 1 64 64 ASP CA C 13 51.195 0.2 . 1 . . . . 64 D CA . 15852 1
301 . 1 1 64 64 ASP CB C 13 40.309 0.2 . 1 . . . . 64 D CB . 15852 1
302 . 1 1 64 64 ASP N N 15 128.962 0.2 . 1 . . . . 64 D N . 15852 1
303 . 1 1 65 65 PHE H H 1 8.797 0.01 . 1 . . . . 65 F HN . 15852 1
304 . 1 1 65 65 PHE CA C 13 62.664 0.2 . 1 . . . . 65 F CA . 15852 1
305 . 1 1 65 65 PHE N N 15 117.790 0.2 . 1 . . . . 65 F N . 15852 1
306 . 1 1 66 66 PRO C C 13 179.460 0.2 . 1 . . . . 66 P C . 15852 1
307 . 1 1 67 67 GLU H H 1 8.269 0.01 . 1 . . . . 67 E HN . 15852 1
308 . 1 1 67 67 GLU C C 13 178.327 0.2 . 1 . . . . 67 E C . 15852 1
309 . 1 1 67 67 GLU CA C 13 58.175 0.2 . 1 . . . . 67 E CA . 15852 1
310 . 1 1 67 67 GLU CB C 13 28.394 0.2 . 1 . . . . 67 E CB . 15852 1
311 . 1 1 67 67 GLU N N 15 118.351 0.2 . 1 . . . . 67 E N . 15852 1
312 . 1 1 68 68 PHE H H 1 8.985 0.01 . 1 . . . . 68 F HN . 15852 1
313 . 1 1 68 68 PHE C C 13 176.327 0.2 . 1 . . . . 68 F C . 15852 1
314 . 1 1 68 68 PHE CA C 13 60.754 0.2 . 1 . . . . 68 F CA . 15852 1
315 . 1 1 68 68 PHE CB C 13 39.321 0.2 . 1 . . . . 68 F CB . 15852 1
316 . 1 1 68 68 PHE N N 15 123.720 0.2 . 1 . . . . 68 F N . 15852 1
317 . 1 1 69 69 LEU H H 1 8.654 0.01 . 1 . . . . 69 L HN . 15852 1
318 . 1 1 69 69 LEU C C 13 178.227 0.2 . 1 . . . . 69 L C . 15852 1
319 . 1 1 69 69 LEU CA C 13 57.114 0.2 . 1 . . . . 69 L CA . 15852 1
320 . 1 1 69 69 LEU CB C 13 40.314 0.2 . 1 . . . . 69 L CB . 15852 1
321 . 1 1 69 69 LEU N N 15 119.271 0.2 . 1 . . . . 69 L N . 15852 1
322 . 1 1 70 70 THR H H 1 7.621 0.01 . 1 . . . . 70 T HN . 15852 1
323 . 1 1 70 70 THR C C 13 175.327 0.2 . 1 . . . . 70 T C . 15852 1
324 . 1 1 70 70 THR CA C 13 66.038 0.2 . 1 . . . . 70 T CA . 15852 1
325 . 1 1 70 70 THR CB C 13 67.714 0.2 . 1 . . . . 70 T CB . 15852 1
326 . 1 1 70 70 THR N N 15 115.766 0.2 . 1 . . . . 70 T N . 15852 1
327 . 1 1 71 71 MET H H 1 7.605 0.01 . 1 . . . . 71 M HN . 15852 1
328 . 1 1 71 71 MET C C 13 176.927 0.2 . 1 . . . . 71 M C . 15852 1
329 . 1 1 71 71 MET CA C 13 57.853 0.2 . 1 . . . . 71 M CA . 15852 1
330 . 1 1 71 71 MET CB C 13 31.367 0.2 . 1 . . . . 71 M CB . 15852 1
331 . 1 1 71 71 MET N N 15 121.364 0.2 . 1 . . . . 71 M N . 15852 1
332 . 1 1 72 72 MET H H 1 8.232 0.01 . 1 . . . . 72 M HN . 15852 1
333 . 1 1 72 72 MET C C 13 178.127 0.2 . 1 . . . . 72 M C . 15852 1
334 . 1 1 72 72 MET CA C 13 55.618 0.2 . 1 . . . . 72 M CA . 15852 1
335 . 1 1 72 72 MET CB C 13 30.867 0.2 . 1 . . . . 72 M CB . 15852 1
336 . 1 1 72 72 MET N N 15 117.128 0.2 . 1 . . . . 72 M N . 15852 1
337 . 1 1 73 73 ALA H H 1 8.170 0.01 . 1 . . . . 73 A HN . 15852 1
338 . 1 1 73 73 ALA C C 13 178.927 0.2 . 1 . . . . 73 A C . 15852 1
339 . 1 1 73 73 ALA CA C 13 53.933 0.2 . 1 . . . . 73 A CA . 15852 1
340 . 1 1 73 73 ALA CB C 13 17.053 0.2 . 1 . . . . 73 A CB . 15852 1
341 . 1 1 73 73 ALA N N 15 121.275 0.2 . 1 . . . . 73 A N . 15852 1
342 . 1 1 74 74 ARG H H 1 7.419 0.01 . 1 . . . . 74 R HN . 15852 1
343 . 1 1 74 74 ARG C C 13 177.527 0.2 . 1 . . . . 74 R C . 15852 1
344 . 1 1 74 74 ARG CA C 13 57.733 0.2 . 1 . . . . 74 R CA . 15852 1
345 . 1 1 74 74 ARG CB C 13 29.606 0.2 . 1 . . . . 74 R CB . 15852 1
346 . 1 1 74 74 ARG N N 15 115.593 0.2 . 1 . . . . 74 R N . 15852 1
347 . 1 1 75 75 LYS H H 1 7.703 0.01 . 1 . . . . 75 K HN . 15852 1
348 . 1 1 75 75 LYS C C 13 177.927 0.2 . 1 . . . . 75 K C . 15852 1
349 . 1 1 75 75 LYS CA C 13 55.111 0.2 . 1 . . . . 75 K CA . 15852 1
350 . 1 1 75 75 LYS CB C 13 31.805 0.2 . 1 . . . . 75 K CB . 15852 1
351 . 1 1 75 75 LYS N N 15 116.198 0.2 . 1 . . . . 75 K N . 15852 1
352 . 1 1 76 76 MET H H 1 7.558 0.01 . 1 . . . . 76 M HN . 15852 1
353 . 1 1 76 76 MET C C 13 175.327 0.2 . 1 . . . . 76 M C . 15852 1
354 . 1 1 76 76 MET CA C 13 55.766 0.2 . 1 . . . . 76 M CA . 15852 1
355 . 1 1 76 76 MET CB C 13 31.519 0.2 . 1 . . . . 76 M CB . 15852 1
356 . 1 1 76 76 MET N N 15 117.629 0.2 . 1 . . . . 76 M N . 15852 1
357 . 1 1 77 77 LYS H H 1 7.584 0.01 . 1 . . . . 77 K HN . 15852 1
358 . 1 1 77 77 LYS CA C 13 55.916 0.2 . 1 . . . . 77 K CA . 15852 1
359 . 1 1 77 77 LYS CB C 13 32.740 0.2 . 1 . . . . 77 K CB . 15852 1
360 . 1 1 77 77 LYS N N 15 120.158 0.2 . 1 . . . . 77 K N . 15852 1
361 . 1 1 79 79 THR H H 1 7.762 0.01 . 1 . . . . 79 T HN . 15852 1
362 . 1 1 79 79 THR C C 13 172.827 0.2 . 1 . . . . 79 T C . 15852 1
363 . 1 1 79 79 THR CA C 13 60.924 0.2 . 1 . . . . 79 T CA . 15852 1
364 . 1 1 79 79 THR CB C 13 69.483 0.2 . 1 . . . . 79 T CB . 15852 1
365 . 1 1 79 79 THR N N 15 113.623 0.2 . 1 . . . . 79 T N . 15852 1
366 . 1 1 80 80 ASP H H 1 8.436 0.01 . 1 . . . . 80 D HN . 15852 1
367 . 1 1 80 80 ASP C C 13 175.327 0.2 . 1 . . . . 80 D C . 15852 1
368 . 1 1 80 80 ASP CA C 13 52.926 0.2 . 1 . . . . 80 D CA . 15852 1
369 . 1 1 80 80 ASP CB C 13 41.032 0.2 . 1 . . . . 80 D CB . 15852 1
370 . 1 1 80 80 ASP N N 15 123.780 0.2 . 1 . . . . 80 D N . 15852 1
371 . 1 1 81 81 SER H H 1 8.766 0.01 . 1 . . . . 81 S HN . 15852 1
372 . 1 1 81 81 SER C C 13 174.727 0.2 . 1 . . . . 81 S C . 15852 1
373 . 1 1 81 81 SER CA C 13 58.642 0.2 . 1 . . . . 81 S CA . 15852 1
374 . 1 1 81 81 SER CB C 13 63.388 0.2 . 1 . . . . 81 S CB . 15852 1
375 . 1 1 81 81 SER N N 15 119.364 0.2 . 1 . . . . 81 S N . 15852 1
376 . 1 1 82 82 GLU H H 1 8.546 0.01 . 1 . . . . 82 E HN . 15852 1
377 . 1 1 82 82 GLU C C 13 177.927 0.2 . 1 . . . . 82 E C . 15852 1
378 . 1 1 82 82 GLU CA C 13 58.944 0.2 . 1 . . . . 82 E CA . 15852 1
379 . 1 1 82 82 GLU CB C 13 28.421 0.2 . 1 . . . . 82 E CB . 15852 1
380 . 1 1 82 82 GLU N N 15 122.157 0.2 . 1 . . . . 82 E N . 15852 1
381 . 1 1 83 83 GLU H H 1 8.185 0.01 . 1 . . . . 83 E HN . 15852 1
382 . 1 1 83 83 GLU C C 13 178.027 0.2 . 1 . . . . 83 E C . 15852 1
383 . 1 1 83 83 GLU CA C 13 58.519 0.2 . 1 . . . . 83 E CA . 15852 1
384 . 1 1 83 83 GLU CB C 13 28.367 0.2 . 1 . . . . 83 E CB . 15852 1
385 . 1 1 83 83 GLU N N 15 119.232 0.2 . 1 . . . . 83 E N . 15852 1
386 . 1 1 84 84 GLU H H 1 7.891 0.01 . 1 . . . . 84 E HN . 15852 1
387 . 1 1 84 84 GLU C C 13 179.327 0.2 . 1 . . . . 84 E C . 15852 1
388 . 1 1 84 84 GLU CA C 13 58.734 0.2 . 1 . . . . 84 E CA . 15852 1
389 . 1 1 84 84 GLU CB C 13 28.520 0.2 . 1 . . . . 84 E CB . 15852 1
390 . 1 1 84 84 GLU N N 15 118.462 0.2 . 1 . . . . 84 E N . 15852 1
391 . 1 1 85 85 ILE H H 1 8.091 0.01 . 1 . . . . 85 I HN . 15852 1
392 . 1 1 85 85 ILE C C 13 177.127 0.2 . 1 . . . . 85 I C . 15852 1
393 . 1 1 85 85 ILE CA C 13 64.797 0.2 . 1 . . . . 85 I CA . 15852 1
394 . 1 1 85 85 ILE CB C 13 36.341 0.2 . 1 . . . . 85 I CB . 15852 1
395 . 1 1 85 85 ILE N N 15 121.736 0.2 . 1 . . . . 85 I N . 15852 1
396 . 1 1 86 86 ARG H H 1 8.232 0.01 . 1 . . . . 86 R HN . 15852 1
397 . 1 1 86 86 ARG C C 13 177.527 0.2 . 1 . . . . 86 R C . 15852 1
398 . 1 1 86 86 ARG CA C 13 59.492 0.2 . 1 . . . . 86 R CA . 15852 1
399 . 1 1 86 86 ARG CB C 13 29.034 0.2 . 1 . . . . 86 R CB . 15852 1
400 . 1 1 86 86 ARG N N 15 121.784 0.2 . 1 . . . . 86 R N . 15852 1
401 . 1 1 87 87 GLU H H 1 8.267 0.01 . 1 . . . . 87 E HN . 15852 1
402 . 1 1 87 87 GLU C C 13 178.727 0.2 . 1 . . . . 87 E C . 15852 1
403 . 1 1 87 87 GLU CA C 13 58.013 0.2 . 1 . . . . 87 E CA . 15852 1
404 . 1 1 87 87 GLU CB C 13 28.288 0.2 . 1 . . . . 87 E CB . 15852 1
405 . 1 1 87 87 GLU N N 15 117.943 0.2 . 1 . . . . 87 E N . 15852 1
406 . 1 1 88 88 ALA H H 1 8.138 0.01 . 1 . . . . 88 A HN . 15852 1
407 . 1 1 88 88 ALA C C 13 178.627 0.2 . 1 . . . . 88 A C . 15852 1
408 . 1 1 88 88 ALA CA C 13 54.568 0.2 . 1 . . . . 88 A CA . 15852 1
409 . 1 1 88 88 ALA CB C 13 17.643 0.2 . 1 . . . . 88 A CB . 15852 1
410 . 1 1 88 88 ALA N N 15 122.297 0.2 . 1 . . . . 88 A N . 15852 1
411 . 1 1 89 89 PHE H H 1 8.560 0.01 . 1 . . . . 89 F HN . 15852 1
412 . 1 1 89 89 PHE C C 13 176.127 0.2 . 1 . . . . 89 F C . 15852 1
413 . 1 1 89 89 PHE CA C 13 61.705 0.2 . 1 . . . . 89 F CA . 15852 1
414 . 1 1 89 89 PHE CB C 13 37.910 0.2 . 1 . . . . 89 F CB . 15852 1
415 . 1 1 89 89 PHE N N 15 119.065 0.2 . 1 . . . . 89 F N . 15852 1
416 . 1 1 90 90 ARG H H 1 7.590 0.01 . 1 . . . . 90 R HN . 15852 1
417 . 1 1 90 90 ARG C C 13 176.827 0.2 . 1 . . . . 90 R C . 15852 1
418 . 1 1 90 90 ARG CA C 13 58.054 0.2 . 1 . . . . 90 R CA . 15852 1
419 . 1 1 90 90 ARG CB C 13 29.432 0.2 . 1 . . . . 90 R CB . 15852 1
420 . 1 1 90 90 ARG N N 15 115.321 0.2 . 1 . . . . 90 R N . 15852 1
421 . 1 1 91 91 VAL H H 1 7.292 0.01 . 1 . . . . 91 V HN . 15852 1
422 . 1 1 91 91 VAL C C 13 175.927 0.2 . 1 . . . . 91 V C . 15852 1
423 . 1 1 91 91 VAL CA C 13 64.871 0.2 . 1 . . . . 91 V CA . 15852 1
424 . 1 1 91 91 VAL CB C 13 30.322 0.2 . 1 . . . . 91 V CB . 15852 1
425 . 1 1 91 91 VAL N N 15 117.850 0.2 . 1 . . . . 91 V N . 15852 1
426 . 1 1 92 92 PHE H H 1 6.975 0.01 . 1 . . . . 92 F HN . 15852 1
427 . 1 1 92 92 PHE C C 13 175.927 0.2 . 1 . . . . 92 F C . 15852 1
428 . 1 1 92 92 PHE CA C 13 59.842 0.2 . 1 . . . . 92 F CA . 15852 1
429 . 1 1 92 92 PHE CB C 13 40.466 0.2 . 1 . . . . 92 F CB . 15852 1
430 . 1 1 92 92 PHE N N 15 113.572 0.2 . 1 . . . . 92 F N . 15852 1
431 . 1 1 93 93 ASP H H 1 7.856 0.01 . 1 . . . . 93 D HN . 15852 1
432 . 1 1 93 93 ASP C C 13 176.827 0.2 . 1 . . . . 93 D C . 15852 1
433 . 1 1 93 93 ASP CA C 13 51.250 0.2 . 1 . . . . 93 D CA . 15852 1
434 . 1 1 93 93 ASP CB C 13 37.585 0.2 . 1 . . . . 93 D CB . 15852 1
435 . 1 1 93 93 ASP N N 15 116.287 0.2 . 1 . . . . 93 D N . 15852 1
436 . 1 1 94 94 LYS H H 1 7.731 0.01 . 1 . . . . 94 K HN . 15852 1
437 . 1 1 94 94 LYS C C 13 177.527 0.2 . 1 . . . . 94 K C . 15852 1
438 . 1 1 94 94 LYS CA C 13 58.155 0.2 . 1 . . . . 94 K CA . 15852 1
439 . 1 1 94 94 LYS CB C 13 31.582 0.2 . 1 . . . . 94 K CB . 15852 1
440 . 1 1 94 94 LYS N N 15 125.623 0.2 . 1 . . . . 94 K N . 15852 1
441 . 1 1 95 95 ASP H H 1 8.154 0.01 . 1 . . . . 95 D HN . 15852 1
442 . 1 1 95 95 ASP C C 13 176.927 0.2 . 1 . . . . 95 D C . 15852 1
443 . 1 1 95 95 ASP CA C 13 52.179 0.2 . 1 . . . . 95 D CA . 15852 1
444 . 1 1 95 95 ASP CB C 13 38.576 0.2 . 1 . . . . 95 D CB . 15852 1
445 . 1 1 95 95 ASP N N 15 114.063 0.2 . 1 . . . . 95 D N . 15852 1
446 . 1 1 96 96 GLY H H 1 7.762 0.01 . 1 . . . . 96 G HN . 15852 1
447 . 1 1 96 96 GLY C C 13 174.327 0.2 . 1 . . . . 96 G C . 15852 1
448 . 1 1 96 96 GLY CA C 13 46.238 0.2 . 1 . . . . 96 G CA . 15852 1
449 . 1 1 96 96 GLY N N 15 109.195 0.2 . 1 . . . . 96 G N . 15852 1
450 . 1 1 97 97 ASN H H 1 8.311 0.01 . 1 . . . . 97 N HN . 15852 1
451 . 1 1 97 97 ASN C C 13 175.327 0.2 . 1 . . . . 97 N C . 15852 1
452 . 1 1 97 97 ASN CA C 13 51.726 0.2 . 1 . . . . 97 N CA . 15852 1
453 . 1 1 97 97 ASN CB C 13 37.122 0.2 . 1 . . . . 97 N CB . 15852 1
454 . 1 1 97 97 ASN N N 15 119.619 0.2 . 1 . . . . 97 N N . 15852 1
455 . 1 1 98 98 GLY H H 1 10.647 0.01 . 1 . . . . 98 G HN . 15852 1
456 . 1 1 98 98 GLY C C 13 172.027 0.2 . 1 . . . . 98 G C . 15852 1
457 . 1 1 98 98 GLY CA C 13 44.077 0.2 . 1 . . . . 98 G CA . 15852 1
458 . 1 1 98 98 GLY N N 15 112.821 0.2 . 1 . . . . 98 G N . 15852 1
459 . 1 1 99 99 TYR H H 1 7.652 0.01 . 1 . . . . 99 Y HN . 15852 1
460 . 1 1 99 99 TYR C C 13 173.927 0.2 . 1 . . . . 99 Y C . 15852 1
461 . 1 1 99 99 TYR CA C 13 55.364 0.2 . 1 . . . . 99 Y CA . 15852 1
462 . 1 1 99 99 TYR CB C 13 41.846 0.2 . 1 . . . . 99 Y CB . 15852 1
463 . 1 1 99 99 TYR N N 15 116.207 0.2 . 1 . . . . 99 Y N . 15852 1
464 . 1 1 100 100 ILE H H 1 10.113 0.01 . 1 . . . . 100 I HN . 15852 1
465 . 1 1 100 100 ILE C C 13 174.627 0.2 . 1 . . . . 100 I C . 15852 1
466 . 1 1 100 100 ILE CA C 13 60.494 0.2 . 1 . . . . 100 I CA . 15852 1
467 . 1 1 100 100 ILE CB C 13 38.400 0.2 . 1 . . . . 100 I CB . 15852 1
468 . 1 1 100 100 ILE N N 15 127.346 0.2 . 1 . . . . 100 I N . 15852 1
469 . 1 1 101 101 SER H H 1 8.940 0.01 . 1 . . . . 101 S HN . 15852 1
470 . 1 1 101 101 SER C C 13 174.427 0.2 . 1 . . . . 101 S C . 15852 1
471 . 1 1 101 101 SER CA C 13 54.898 0.2 . 1 . . . . 101 S CA . 15852 1
472 . 1 1 101 101 SER CB C 13 66.143 0.2 . 1 . . . . 101 S CB . 15852 1
473 . 1 1 101 101 SER N N 15 123.763 0.2 . 1 . . . . 101 S N . 15852 1
474 . 1 1 102 102 ALA H H 1 9.206 0.01 . 1 . . . . 102 A HN . 15852 1
475 . 1 1 102 102 ALA C C 13 178.427 0.2 . 1 . . . . 102 A C . 15852 1
476 . 1 1 102 102 ALA CA C 13 55.057 0.2 . 1 . . . . 102 A CA . 15852 1
477 . 1 1 102 102 ALA CB C 13 16.975 0.2 . 1 . . . . 102 A CB . 15852 1
478 . 1 1 102 102 ALA N N 15 122.975 0.2 . 1 . . . . 102 A N . 15852 1
479 . 1 1 103 103 ALA H H 1 8.187 0.01 . 1 . . . . 103 A HN . 15852 1
480 . 1 1 103 103 ALA C C 13 180.727 0.2 . 1 . . . . 103 A C . 15852 1
481 . 1 1 103 103 ALA CA C 13 54.325 0.2 . 1 . . . . 103 A CA . 15852 1
482 . 1 1 103 103 ALA CB C 13 17.321 0.2 . 1 . . . . 103 A CB . 15852 1
483 . 1 1 103 103 ALA N N 15 118.349 0.2 . 1 . . . . 103 A N . 15852 1
484 . 1 1 104 104 GLU H H 1 7.856 0.01 . 1 . . . . 104 E HN . 15852 1
485 . 1 1 104 104 GLU C C 13 178.427 0.2 . 1 . . . . 104 E C . 15852 1
486 . 1 1 104 104 GLU CA C 13 58.585 0.2 . 1 . . . . 104 E CA . 15852 1
487 . 1 1 104 104 GLU CB C 13 28.089 0.2 . 1 . . . . 104 E CB . 15852 1
488 . 1 1 104 104 GLU N N 15 120.628 0.2 . 1 . . . . 104 E N . 15852 1
489 . 1 1 105 105 LEU H H 1 8.430 0.01 . 1 . . . . 105 L HN . 15852 1
490 . 1 1 105 105 LEU C C 13 177.527 0.2 . 1 . . . . 105 L C . 15852 1
491 . 1 1 105 105 LEU CA C 13 57.879 0.2 . 1 . . . . 105 L CA . 15852 1
492 . 1 1 105 105 LEU CB C 13 40.931 0.2 . 1 . . . . 105 L CB . 15852 1
493 . 1 1 105 105 LEU N N 15 120.955 0.2 . 1 . . . . 105 L N . 15852 1
494 . 1 1 106 106 ARG H H 1 8.656 0.01 . 1 . . . . 106 R HN . 15852 1
495 . 1 1 106 106 ARG C C 13 177.927 0.2 . 1 . . . . 106 R C . 15852 1
496 . 1 1 106 106 ARG CA C 13 59.270 0.2 . 1 . . . . 106 R CA . 15852 1
497 . 1 1 106 106 ARG CB C 13 29.366 0.2 . 1 . . . . 106 R CB . 15852 1
498 . 1 1 106 106 ARG N N 15 117.850 0.2 . 1 . . . . 106 R N . 15852 1
499 . 1 1 107 107 HIS H H 1 7.948 0.01 . 1 . . . . 107 H HN . 15852 1
500 . 1 1 107 107 HIS C C 13 176.927 0.2 . 1 . . . . 107 H C . 15852 1
501 . 1 1 107 107 HIS CA C 13 59.375 0.2 . 1 . . . . 107 H CA . 15852 1
502 . 1 1 107 107 HIS CB C 13 29.788 0.2 . 1 . . . . 107 H CB . 15852 1
503 . 1 1 107 107 HIS N N 15 119.760 0.2 . 1 . . . . 107 H N . 15852 1
504 . 1 1 108 108 VAL H H 1 7.880 0.01 . 1 . . . . 108 V HN . 15852 1
505 . 1 1 108 108 VAL C C 13 177.527 0.2 . 1 . . . . 108 V C . 15852 1
506 . 1 1 108 108 VAL CA C 13 66.028 0.2 . 1 . . . . 108 V CA . 15852 1
507 . 1 1 108 108 VAL CB C 13 30.626 0.2 . 1 . . . . 108 V CB . 15852 1
508 . 1 1 108 108 VAL N N 15 118.548 0.2 . 1 . . . . 108 V N . 15852 1
509 . 1 1 109 109 MET H H 1 8.342 0.01 . 1 . . . . 109 M HN . 15852 1
510 . 1 1 109 109 MET C C 13 178.527 0.2 . 1 . . . . 109 M C . 15852 1
511 . 1 1 109 109 MET CA C 13 56.413 0.2 . 1 . . . . 109 M CA . 15852 1
512 . 1 1 109 109 MET CB C 13 28.724 0.2 . 1 . . . . 109 M CB . 15852 1
513 . 1 1 109 109 MET N N 15 115.386 0.2 . 1 . . . . 109 M N . 15852 1
514 . 1 1 110 110 THR H H 1 8.238 0.01 . 1 . . . . 110 T HN . 15852 1
515 . 1 1 110 110 THR C C 13 177.627 0.2 . 1 . . . . 110 T C . 15852 1
516 . 1 1 110 110 THR CA C 13 65.796 0.2 . 1 . . . . 110 T CA . 15852 1
517 . 1 1 110 110 THR CB C 13 67.720 0.2 . 1 . . . . 110 T CB . 15852 1
518 . 1 1 110 110 THR N N 15 116.118 0.2 . 1 . . . . 110 T N . 15852 1
519 . 1 1 111 111 ASN H H 1 7.634 0.01 . 1 . . . . 111 N HN . 15852 1
520 . 1 1 111 111 ASN C C 13 175.627 0.2 . 1 . . . . 111 N C . 15852 1
521 . 1 1 111 111 ASN CA C 13 55.016 0.2 . 1 . . . . 111 N CA . 15852 1
522 . 1 1 111 111 ASN CB C 13 36.858 0.2 . 1 . . . . 111 N CB . 15852 1
523 . 1 1 111 111 ASN N N 15 122.999 0.2 . 1 . . . . 111 N N . 15852 1
524 . 1 1 112 112 LEU H H 1 7.699 0.01 . 1 . . . . 112 L HN . 15852 1
525 . 1 1 112 112 LEU C C 13 175.527 0.2 . 1 . . . . 112 L C . 15852 1
526 . 1 1 112 112 LEU CA C 13 54.282 0.2 . 1 . . . . 112 L CA . 15852 1
527 . 1 1 112 112 LEU CB C 13 40.950 0.2 . 1 . . . . 112 L CB . 15852 1
528 . 1 1 112 112 LEU N N 15 118.952 0.2 . 1 . . . . 112 L N . 15852 1
529 . 1 1 113 113 GLY H H 1 7.602 0.01 . 1 . . . . 113 G HN . 15852 1
530 . 1 1 113 113 GLY C C 13 173.627 0.2 . 1 . . . . 113 G C . 15852 1
531 . 1 1 113 113 GLY CA C 13 44.279 0.2 . 1 . . . . 113 G CA . 15852 1
532 . 1 1 113 113 GLY N N 15 105.566 0.2 . 1 . . . . 113 G N . 15852 1
533 . 1 1 114 114 GLU H H 1 7.934 0.01 . 1 . . . . 114 E HN . 15852 1
534 . 1 1 114 114 GLU C C 13 174.327 0.2 . 1 . . . . 114 E C . 15852 1
535 . 1 1 114 114 GLU CA C 13 54.117 0.2 . 1 . . . . 114 E CA . 15852 1
536 . 1 1 114 114 GLU CB C 13 29.685 0.2 . 1 . . . . 114 E CB . 15852 1
537 . 1 1 114 114 GLU N N 15 120.294 0.2 . 1 . . . . 114 E N . 15852 1
538 . 1 1 115 115 LYS H H 1 8.568 0.01 . 1 . . . . 115 K HN . 15852 1
539 . 1 1 115 115 LYS C C 13 174.627 0.2 . 1 . . . . 115 K C . 15852 1
540 . 1 1 115 115 LYS CA C 13 54.568 0.2 . 1 . . . . 115 K CA . 15852 1
541 . 1 1 115 115 LYS CB C 13 30.837 0.2 . 1 . . . . 115 K CB . 15852 1
542 . 1 1 115 115 LYS N N 15 125.563 0.2 . 1 . . . . 115 K N . 15852 1
543 . 1 1 116 116 LEU H H 1 7.966 0.01 . 1 . . . . 116 L HN . 15852 1
544 . 1 1 116 116 LEU C C 13 177.527 0.2 . 1 . . . . 116 L C . 15852 1
545 . 1 1 116 116 LEU CA C 13 53.053 0.2 . 1 . . . . 116 L CA . 15852 1
546 . 1 1 116 116 LEU CB C 13 43.919 0.2 . 1 . . . . 116 L CB . 15852 1
547 . 1 1 116 116 LEU N N 15 124.621 0.2 . 1 . . . . 116 L N . 15852 1
548 . 1 1 117 117 THR H H 1 9.220 0.01 . 1 . . . . 117 T HN . 15852 1
549 . 1 1 117 117 THR C C 13 174.727 0.2 . 1 . . . . 117 T C . 15852 1
550 . 1 1 117 117 THR CA C 13 59.801 0.2 . 1 . . . . 117 T CA . 15852 1
551 . 1 1 117 117 THR CB C 13 70.452 0.2 . 1 . . . . 117 T CB . 15852 1
552 . 1 1 117 117 THR N N 15 114.845 0.2 . 1 . . . . 117 T N . 15852 1
553 . 1 1 118 118 ASP H H 1 8.875 0.01 . 1 . . . . 118 D HN . 15852 1
554 . 1 1 118 118 ASP C C 13 177.827 0.2 . 1 . . . . 118 D C . 15852 1
555 . 1 1 118 118 ASP CA C 13 57.259 0.2 . 1 . . . . 118 D CA . 15852 1
556 . 1 1 118 118 ASP CB C 13 38.584 0.2 . 1 . . . . 118 D CB . 15852 1
557 . 1 1 118 118 ASP N N 15 121.055 0.2 . 1 . . . . 118 D N . 15852 1
558 . 1 1 119 119 GLU H H 1 8.599 0.01 . 1 . . . . 119 E HN . 15852 1
559 . 1 1 119 119 GLU C C 13 178.427 0.2 . 1 . . . . 119 E C . 15852 1
560 . 1 1 119 119 GLU CA C 13 59.159 0.2 . 1 . . . . 119 E CA . 15852 1
561 . 1 1 119 119 GLU CB C 13 28.160 0.2 . 1 . . . . 119 E CB . 15852 1
562 . 1 1 119 119 GLU N N 15 119.115 0.2 . 1 . . . . 119 E N . 15852 1
563 . 1 1 120 120 GLU H H 1 7.685 0.01 . 1 . . . . 120 E HN . 15852 1
564 . 1 1 120 120 GLU C C 13 178.927 0.2 . 1 . . . . 120 E C . 15852 1
565 . 1 1 120 120 GLU CA C 13 58.350 0.2 . 1 . . . . 120 E CA . 15852 1
566 . 1 1 120 120 GLU CB C 13 29.776 0.2 . 1 . . . . 120 E CB . 15852 1
567 . 1 1 120 120 GLU N N 15 120.381 0.2 . 1 . . . . 120 E N . 15852 1
568 . 1 1 121 121 VAL H H 1 7.990 0.01 . 1 . . . . 121 V HN . 15852 1
569 . 1 1 121 121 VAL C C 13 178.827 0.2 . 1 . . . . 121 V C . 15852 1
570 . 1 1 121 121 VAL CA C 13 66.201 0.2 . 1 . . . . 121 V CA . 15852 1
571 . 1 1 121 121 VAL CB C 13 30.482 0.2 . 1 . . . . 121 V CB . 15852 1
572 . 1 1 121 121 VAL N N 15 120.701 0.2 . 1 . . . . 121 V N . 15852 1
573 . 1 1 122 122 ASP H H 1 7.813 0.01 . 1 . . . . 122 D HN . 15852 1
574 . 1 1 122 122 ASP C C 13 178.727 0.2 . 1 . . . . 122 D C . 15852 1
575 . 1 1 122 122 ASP CA C 13 56.761 0.2 . 1 . . . . 122 D CA . 15852 1
576 . 1 1 122 122 ASP CB C 13 39.680 0.2 . 1 . . . . 122 D CB . 15852 1
577 . 1 1 122 122 ASP N N 15 119.766 0.2 . 1 . . . . 122 D N . 15852 1
578 . 1 1 123 123 GLU H H 1 8.013 0.01 . 1 . . . . 123 E HN . 15852 1
579 . 1 1 123 123 GLU C C 13 177.727 0.2 . 1 . . . . 123 E C . 15852 1
580 . 1 1 123 123 GLU CA C 13 58.539 0.2 . 1 . . . . 123 E CA . 15852 1
581 . 1 1 123 123 GLU CB C 13 28.709 0.2 . 1 . . . . 123 E CB . 15852 1
582 . 1 1 123 123 GLU N N 15 119.512 0.2 . 1 . . . . 123 E N . 15852 1
583 . 1 1 124 124 MET H H 1 7.760 0.01 . 1 . . . . 124 M HN . 15852 1
584 . 1 1 124 124 MET C C 13 178.227 0.2 . 1 . . . . 124 M C . 15852 1
585 . 1 1 124 124 MET CA C 13 59.157 0.2 . 1 . . . . 124 M CA . 15852 1
586 . 1 1 124 124 MET CB C 13 28.592 0.2 . 1 . . . . 124 M CB . 15852 1
587 . 1 1 124 124 MET N N 15 119.642 0.2 . 1 . . . . 124 M N . 15852 1
588 . 1 1 125 125 ILE H H 1 8.011 0.01 . 1 . . . . 125 I HN . 15852 1
589 . 1 1 125 125 ILE C C 13 178.527 0.2 . 1 . . . . 125 I C . 15852 1
590 . 1 1 125 125 ILE CA C 13 62.447 0.2 . 1 . . . . 125 I CA . 15852 1
591 . 1 1 125 125 ILE CB C 13 34.855 0.2 . 1 . . . . 125 I CB . 15852 1
592 . 1 1 125 125 ILE N N 15 119.272 0.2 . 1 . . . . 125 I N . 15852 1
593 . 1 1 126 126 ARG H H 1 8.253 0.01 . 1 . . . . 126 R HN . 15852 1
594 . 1 1 126 126 ARG C C 13 177.627 0.2 . 1 . . . . 126 R C . 15852 1
595 . 1 1 126 126 ARG CA C 13 58.816 0.2 . 1 . . . . 126 R CA . 15852 1
596 . 1 1 126 126 ARG CB C 13 29.456 0.2 . 1 . . . . 126 R CB . 15852 1
597 . 1 1 126 126 ARG N N 15 117.956 0.2 . 1 . . . . 126 R N . 15852 1
598 . 1 1 127 127 GLU H H 1 7.906 0.01 . 1 . . . . 127 E HN . 15852 1
599 . 1 1 127 127 GLU C C 13 176.327 0.2 . 1 . . . . 127 E C . 15852 1
600 . 1 1 127 127 GLU CA C 13 58.127 0.2 . 1 . . . . 127 E CA . 15852 1
601 . 1 1 127 127 GLU CB C 13 29.136 0.2 . 1 . . . . 127 E CB . 15852 1
602 . 1 1 127 127 GLU N N 15 116.947 0.2 . 1 . . . . 127 E N . 15852 1
603 . 1 1 128 128 ALA H H 1 7.198 0.01 . 1 . . . . 128 A HN . 15852 1
604 . 1 1 128 128 ALA C C 13 176.627 0.2 . 1 . . . . 128 A C . 15852 1
605 . 1 1 128 128 ALA CA C 13 50.445 0.2 . 1 . . . . 128 A CA . 15852 1
606 . 1 1 128 128 ALA CB C 13 21.324 0.2 . 1 . . . . 128 A CB . 15852 1
607 . 1 1 128 128 ALA N N 15 117.369 0.2 . 1 . . . . 128 A N . 15852 1
608 . 1 1 129 129 ASP H H 1 7.988 0.01 . 1 . . . . 129 D HN . 15852 1
609 . 1 1 129 129 ASP C C 13 175.027 0.2 . 1 . . . . 129 D C . 15852 1
610 . 1 1 129 129 ASP CA C 13 53.636 0.2 . 1 . . . . 129 D CA . 15852 1
611 . 1 1 129 129 ASP CB C 13 39.874 0.2 . 1 . . . . 129 D CB . 15852 1
612 . 1 1 129 129 ASP N N 15 118.092 0.2 . 1 . . . . 129 D N . 15852 1
613 . 1 1 130 130 ILE H H 1 8.201 0.01 . 1 . . . . 130 I HN . 15852 1
614 . 1 1 130 130 ILE C C 13 177.027 0.2 . 1 . . . . 130 I C . 15852 1
615 . 1 1 130 130 ILE CA C 13 62.585 0.2 . 1 . . . . 130 I CA . 15852 1
616 . 1 1 130 130 ILE CB C 13 37.635 0.2 . 1 . . . . 130 I CB . 15852 1
617 . 1 1 130 130 ILE N N 15 128.007 0.2 . 1 . . . . 130 I N . 15852 1
618 . 1 1 131 131 ASP H H 1 8.279 0.01 . 1 . . . . 131 D HN . 15852 1
619 . 1 1 131 131 ASP C C 13 177.427 0.2 . 1 . . . . 131 D C . 15852 1
620 . 1 1 131 131 ASP CA C 13 53.086 0.2 . 1 . . . . 131 D CA . 15852 1
621 . 1 1 131 131 ASP CB C 13 38.896 0.2 . 1 . . . . 131 D CB . 15852 1
622 . 1 1 131 131 ASP N N 15 116.628 0.2 . 1 . . . . 131 D N . 15852 1
623 . 1 1 132 132 GLY H H 1 7.609 0.01 . 1 . . . . 132 G HN . 15852 1
624 . 1 1 132 132 GLY C C 13 174.427 0.2 . 1 . . . . 132 G C . 15852 1
625 . 1 1 132 132 GLY CA C 13 46.493 0.2 . 1 . . . . 132 G CA . 15852 1
626 . 1 1 132 132 GLY N N 15 108.488 0.2 . 1 . . . . 132 G N . 15852 1
627 . 1 1 133 133 ASP H H 1 8.326 0.01 . 1 . . . . 133 D HN . 15852 1
628 . 1 1 133 133 ASP C C 13 176.727 0.2 . 1 . . . . 133 D C . 15852 1
629 . 1 1 133 133 ASP CA C 13 52.841 0.2 . 1 . . . . 133 D CA . 15852 1
630 . 1 1 133 133 ASP CB C 13 39.070 0.2 . 1 . . . . 133 D CB . 15852 1
631 . 1 1 133 133 ASP N N 15 120.674 0.2 . 1 . . . . 133 D N . 15852 1
632 . 1 1 134 134 GLY H H 1 10.109 0.01 . 1 . . . . 134 G HN . 15852 1
633 . 1 1 134 134 GLY C C 13 171.927 0.2 . 1 . . . . 134 G C . 15852 1
634 . 1 1 134 134 GLY CA C 13 44.908 0.2 . 1 . . . . 134 G CA . 15852 1
635 . 1 1 134 134 GLY N N 15 112.451 0.2 . 1 . . . . 134 G N . 15852 1
636 . 1 1 135 135 GLN H H 1 7.919 0.01 . 1 . . . . 135 Q HN . 15852 1
637 . 1 1 135 135 GLN C C 13 174.327 0.2 . 1 . . . . 135 Q C . 15852 1
638 . 1 1 135 135 GLN CA C 13 52.355 0.2 . 1 . . . . 135 Q CA . 15852 1
639 . 1 1 135 135 GLN CB C 13 31.560 0.2 . 1 . . . . 135 Q CB . 15852 1
640 . 1 1 135 135 GLN N N 15 115.245 0.2 . 1 . . . . 135 Q N . 15852 1
641 . 1 1 136 136 VAL H H 1 9.063 0.01 . 1 . . . . 136 V HN . 15852 1
642 . 1 1 136 136 VAL C C 13 175.027 0.2 . 1 . . . . 136 V C . 15852 1
643 . 1 1 136 136 VAL CA C 13 60.841 0.2 . 1 . . . . 136 V CA . 15852 1
644 . 1 1 136 136 VAL CB C 13 33.096 0.2 . 1 . . . . 136 V CB . 15852 1
645 . 1 1 136 136 VAL N N 15 125.523 0.2 . 1 . . . . 136 V N . 15852 1
646 . 1 1 137 137 ASN H H 1 9.408 0.01 . 1 . . . . 137 N HN . 15852 1
647 . 1 1 137 137 ASN C C 13 174.027 0.2 . 1 . . . . 137 N C . 15852 1
648 . 1 1 137 137 ASN CA C 13 50.172 0.2 . 1 . . . . 137 N CA . 15852 1
649 . 1 1 137 137 ASN CB C 13 37.607 0.2 . 1 . . . . 137 N CB . 15852 1
650 . 1 1 137 137 ASN N N 15 129.089 0.2 . 1 . . . . 137 N N . 15852 1
651 . 1 1 138 138 TYR H H 1 8.293 0.01 . 1 . . . . 138 Y HN . 15852 1
652 . 1 1 138 138 TYR C C 13 175.327 0.2 . 1 . . . . 138 Y C . 15852 1
653 . 1 1 138 138 TYR CA C 13 61.519 0.2 . 1 . . . . 138 Y CA . 15852 1
654 . 1 1 138 138 TYR CB C 13 36.631 0.2 . 1 . . . . 138 Y CB . 15852 1
655 . 1 1 138 138 TYR N N 15 118.577 0.2 . 1 . . . . 138 Y N . 15852 1
656 . 1 1 139 139 GLU H H 1 8.013 0.01 . 1 . . . . 139 E HN . 15852 1
657 . 1 1 139 139 GLU C C 13 179.527 0.2 . 1 . . . . 139 E C . 15852 1
658 . 1 1 139 139 GLU CA C 13 59.376 0.2 . 1 . . . . 139 E CA . 15852 1
659 . 1 1 139 139 GLU CB C 13 27.940 0.2 . 1 . . . . 139 E CB . 15852 1
660 . 1 1 139 139 GLU N N 15 118.351 0.2 . 1 . . . . 139 E N . 15852 1
661 . 1 1 140 140 GLU H H 1 8.664 0.01 . 1 . . . . 140 E HN . 15852 1
662 . 1 1 140 140 GLU C C 13 178.427 0.2 . 1 . . . . 140 E C . 15852 1
663 . 1 1 140 140 GLU CA C 13 57.843 0.2 . 1 . . . . 140 E CA . 15852 1
664 . 1 1 140 140 GLU CB C 13 28.540 0.2 . 1 . . . . 140 E CB . 15852 1
665 . 1 1 140 140 GLU N N 15 119.622 0.2 . 1 . . . . 140 E N . 15852 1
666 . 1 1 141 141 PHE H H 1 8.483 0.01 . 1 . . . . 141 F HN . 15852 1
667 . 1 1 141 141 PHE C C 13 175.927 0.2 . 1 . . . . 141 F C . 15852 1
668 . 1 1 141 141 PHE CA C 13 61.100 0.2 . 1 . . . . 141 F CA . 15852 1
669 . 1 1 141 141 PHE CB C 13 39.514 0.2 . 1 . . . . 141 F CB . 15852 1
670 . 1 1 141 141 PHE N N 15 124.431 0.2 . 1 . . . . 141 F N . 15852 1
671 . 1 1 142 142 VAL H H 1 8.613 0.01 . 1 . . . . 142 V HN . 15852 1
672 . 1 1 142 142 VAL C C 13 176.527 0.2 . 1 . . . . 142 V C . 15852 1
673 . 1 1 142 142 VAL CA C 13 66.193 0.2 . 1 . . . . 142 V CA . 15852 1
674 . 1 1 142 142 VAL CB C 13 30.418 0.2 . 1 . . . . 142 V CB . 15852 1
675 . 1 1 142 142 VAL N N 15 118.761 0.2 . 1 . . . . 142 V N . 15852 1
676 . 1 1 143 143 GLN H H 1 7.827 0.01 . 1 . . . . 143 Q HN . 15852 1
677 . 1 1 143 143 GLN C C 13 177.327 0.2 . 1 . . . . 143 Q C . 15852 1
678 . 1 1 143 143 GLN CA C 13 58.207 0.2 . 1 . . . . 143 Q CA . 15852 1
679 . 1 1 143 143 GLN CB C 13 26.865 0.2 . 1 . . . . 143 Q CB . 15852 1
680 . 1 1 143 143 GLN N N 15 119.122 0.2 . 1 . . . . 143 Q N . 15852 1
681 . 1 1 144 144 MET H H 1 7.480 0.01 . 1 . . . . 144 M HN . 15852 1
682 . 1 1 144 144 MET C C 13 177.127 0.2 . 1 . . . . 144 M C . 15852 1
683 . 1 1 144 144 MET CA C 13 56.977 0.2 . 1 . . . . 144 M CA . 15852 1
684 . 1 1 144 144 MET CB C 13 30.013 0.2 . 1 . . . . 144 M CB . 15852 1
685 . 1 1 144 144 MET N N 15 118.371 0.2 . 1 . . . . 144 M N . 15852 1
686 . 1 1 145 145 MET H H 1 7.464 0.01 . 1 . . . . 145 M HN . 15852 1
687 . 1 1 145 145 MET C C 13 177.227 0.2 . 1 . . . . 145 M C . 15852 1
688 . 1 1 145 145 MET CA C 13 54.042 0.2 . 1 . . . . 145 M CA . 15852 1
689 . 1 1 145 145 MET CB C 13 29.558 0.2 . 1 . . . . 145 M CB . 15852 1
690 . 1 1 145 145 MET N N 15 114.825 0.2 . 1 . . . . 145 M N . 15852 1
691 . 1 1 146 146 THR H H 1 7.668 0.01 . 1 . . . . 146 T HN . 15852 1
692 . 1 1 146 146 THR C C 13 173.627 0.2 . 1 . . . . 146 T C . 15852 1
693 . 1 1 146 146 THR CA C 13 61.235 0.2 . 1 . . . . 146 T CA . 15852 1
694 . 1 1 146 146 THR CB C 13 69.604 0.2 . 1 . . . . 146 T CB . 15852 1
695 . 1 1 146 146 THR N N 15 109.676 0.2 . 1 . . . . 146 T N . 15852 1
696 . 1 1 147 147 ALA H H 1 7.439 0.01 . 1 . . . . 147 A HN . 15852 1
697 . 1 1 147 147 ALA C C 13 176.027 0.2 . 1 . . . . 147 A C . 15852 1
698 . 1 1 147 147 ALA CA C 13 52.043 0.2 . 1 . . . . 147 A CA . 15852 1
699 . 1 1 147 147 ALA CB C 13 18.089 0.2 . 1 . . . . 147 A CB . 15852 1
700 . 1 1 147 147 ALA N N 15 126.765 0.2 . 1 . . . . 147 A N . 15852 1
701 . 1 1 148 148 LYS H H 1 7.997 0.01 . 1 . . . . 148 K HN . 15852 1
702 . 1 1 148 148 LYS CA C 13 57.009 0.2 . 1 . . . . 148 K CA . 15852 1
703 . 1 1 148 148 LYS CB C 13 32.532 0.2 . 1 . . . . 148 K CB . 15852 1
704 . 1 1 148 148 LYS N N 15 126.725 0.2 . 1 . . . . 148 K N . 15852 1
stop_
save_
########################################
# Heteronuclear T1 relaxation values #
########################################
save_heteronuclear_T1_list_1
_Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation
_Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1
_Heteronucl_T1_list.Entry_ID 15852
_Heteronucl_T1_list.ID 1
_Heteronucl_T1_list.Sample_condition_list_ID 1
_Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_T1_list.Spectrometer_frequency_1H 700.13
_Heteronucl_T1_list.T1_coherence_type Nz
_Heteronucl_T1_list.T1_val_units s-1
_Heteronucl_T1_list.Details .
_Heteronucl_T1_list.Text_data_format .
_Heteronucl_T1_list.Text_data .
loop_
_Heteronucl_T1_experiment.Experiment_ID
_Heteronucl_T1_experiment.Experiment_name
_Heteronucl_T1_experiment.Sample_ID
_Heteronucl_T1_experiment.Sample_label
_Heteronucl_T1_experiment.Sample_state
_Heteronucl_T1_experiment.Entry_ID
_Heteronucl_T1_experiment.Heteronucl_T1_list_ID
6 'relaxation measurement' . . . 15852 1
stop_
loop_
_Heteronucl_T1_software.Software_ID
_Heteronucl_T1_software.Software_label
_Heteronucl_T1_software.Method_ID
_Heteronucl_T1_software.Method_label
_Heteronucl_T1_software.Entry_ID
_Heteronucl_T1_software.Heteronucl_T1_list_ID
4 $SPARKY . . 15852 1
stop_
loop_
_T1.ID
_T1.Assembly_atom_ID
_T1.Entity_assembly_ID
_T1.Entity_ID
_T1.Comp_index_ID
_T1.Seq_ID
_T1.Comp_ID
_T1.Atom_ID
_T1.Atom_type
_T1.Atom_isotope_number
_T1.Val
_T1.Val_err
_T1.Resonance_ID
_T1.Auth_entity_assembly_ID
_T1.Auth_seq_ID
_T1.Auth_comp_ID
_T1.Auth_atom_ID
_T1.Entry_ID
_T1.Heteronucl_T1_list_ID
1 . 1 1 3 3 GLN N N 15 1.41 0.04 . . . . . 15852 1
2 . 1 1 4 4 LEU N N 15 1.02 0.03 . . . . . 15852 1
3 . 1 1 5 5 THR N N 15 1.02 0.03 . . . . . 15852 1
4 . 1 1 6 6 GLU N N 15 1.04 0.04 . . . . . 15852 1
5 . 1 1 7 7 GLU N N 15 1.06 0.03 . . . . . 15852 1
6 . 1 1 8 8 GLN N N 15 1.10 0.03 . . . . . 15852 1
7 . 1 1 9 9 ILE N N 15 0.99 0.02 . . . . . 15852 1
8 . 1 1 10 10 ALA N N 15 1.06 0.03 . . . . . 15852 1
9 . 1 1 11 11 GLU N N 15 1.01 0.03 . . . . . 15852 1
10 . 1 1 12 12 PHE N N 15 0.93 0.03 . . . . . 15852 1
11 . 1 1 13 13 LYS N N 15 0.95 0.02 . . . . . 15852 1
12 . 1 1 14 14 GLU N N 15 0.96 0.02 . . . . . 15852 1
13 . 1 1 15 15 ALA N N 15 1.07 0.04 . . . . . 15852 1
14 . 1 1 16 16 PHE N N 15 1.00 0.03 . . . . . 15852 1
15 . 1 1 17 17 SER N N 15 0.96 0.02 . . . . . 15852 1
16 . 1 1 18 18 LEU N N 15 1.00 0.03 . . . . . 15852 1
17 . 1 1 19 19 PHE N N 15 0.93 0.02 . . . . . 15852 1
18 . 1 1 20 20 ASP N N 15 1.07 0.03 . . . . . 15852 1
19 . 1 1 21 21 LYS N N 15 0.97 0.02 . . . . . 15852 1
20 . 1 1 22 22 ASP N N 15 0.99 0.02 . . . . . 15852 1
21 . 1 1 23 23 GLY N N 15 1.01 0.03 . . . . . 15852 1
22 . 1 1 24 24 ASP N N 15 1.12 0.03 . . . . . 15852 1
23 . 1 1 25 25 GLY N N 15 0.98 0.03 . . . . . 15852 1
24 . 1 1 26 26 THR N N 15 1.05 0.03 . . . . . 15852 1
25 . 1 1 27 27 ILE N N 15 0.88 0.03 . . . . . 15852 1
26 . 1 1 28 28 THR N N 15 1.01 0.06 . . . . . 15852 1
27 . 1 1 29 29 THR N N 15 0.94 0.02 . . . . . 15852 1
28 . 1 1 30 30 LYS N N 15 1.18 0.04 . . . . . 15852 1
29 . 1 1 31 31 GLU N N 15 0.92 0.03 . . . . . 15852 1
30 . 1 1 32 32 LEU N N 15 0.92 0.02 . . . . . 15852 1
31 . 1 1 33 33 GLY N N 15 0.92 0.02 . . . . . 15852 1
32 . 1 1 34 34 THR N N 15 1.04 0.08 . . . . . 15852 1
33 . 1 1 35 35 VAL N N 15 0.93 0.02 . . . . . 15852 1
34 . 1 1 36 36 MET N N 15 0.96 0.03 . . . . . 15852 1
35 . 1 1 37 37 ARG N N 15 0.93 0.14 . . . . . 15852 1
36 . 1 1 38 38 SER N N 15 0.93 0.02 . . . . . 15852 1
37 . 1 1 39 39 LEU N N 15 0.90 0.02 . . . . . 15852 1
38 . 1 1 40 40 GLY N N 15 1.02 0.03 . . . . . 15852 1
39 . 1 1 41 41 GLN N N 15 1.07 0.03 . . . . . 15852 1
40 . 1 1 42 42 ASN N N 15 1.14 0.03 . . . . . 15852 1
41 . 1 1 44 44 THR N N 15 1.05 0.03 . . . . . 15852 1
42 . 1 1 45 45 GLU N N 15 1.08 0.03 . . . . . 15852 1
43 . 1 1 46 46 ALA N N 15 1.07 0.03 . . . . . 15852 1
44 . 1 1 47 47 GLU N N 15 1.01 0.03 . . . . . 15852 1
45 . 1 1 49 49 GLN N N 15 0.99 0.02 . . . . . 15852 1
46 . 1 1 50 50 ASP N N 15 0.96 0.02 . . . . . 15852 1
47 . 1 1 51 51 MET N N 15 0.89 0.02 . . . . . 15852 1
48 . 1 1 52 52 ILE N N 15 1.05 0.04 . . . . . 15852 1
49 . 1 1 53 53 ASN N N 15 0.97 0.02 . . . . . 15852 1
50 . 1 1 54 54 GLU N N 15 0.93 0.02 . . . . . 15852 1
51 . 1 1 55 55 VAL N N 15 0.94 0.02 . . . . . 15852 1
52 . 1 1 56 56 ASP N N 15 1.01 0.03 . . . . . 15852 1
53 . 1 1 57 57 ALA N N 15 0.70 0.02 . . . . . 15852 1
54 . 1 1 58 58 ASP N N 15 0.83 0.02 . . . . . 15852 1
55 . 1 1 59 59 GLY N N 15 0.85 0.02 . . . . . 15852 1
56 . 1 1 60 60 ASP N N 15 0.97 0.02 . . . . . 15852 1
57 . 1 1 61 61 GLY N N 15 0.96 0.02 . . . . . 15852 1
58 . 1 1 62 62 THR N N 15 0.99 0.02 . . . . . 15852 1
59 . 1 1 63 63 ILE N N 15 0.96 0.02 . . . . . 15852 1
60 . 1 1 64 64 ASP N N 15 0.91 0.02 . . . . . 15852 1
61 . 1 1 65 65 PHE N N 15 0.95 0.02 . . . . . 15852 1
62 . 1 1 67 67 GLU N N 15 1.00 0.03 . . . . . 15852 1
63 . 1 1 68 68 PHE N N 15 0.98 0.04 . . . . . 15852 1
64 . 1 1 69 69 LEU N N 15 1.10 0.03 . . . . . 15852 1
65 . 1 1 70 70 THR N N 15 1.02 0.03 . . . . . 15852 1
66 . 1 1 71 71 MET N N 15 1.06 0.03 . . . . . 15852 1
67 . 1 1 72 72 MET N N 15 1.02 0.03 . . . . . 15852 1
68 . 1 1 73 73 ALA N N 15 1.02 0.03 . . . . . 15852 1
69 . 1 1 74 74 ARG N N 15 1.05 0.03 . . . . . 15852 1
70 . 1 1 75 75 LYS N N 15 1.05 0.03 . . . . . 15852 1
71 . 1 1 76 76 MET N N 15 0.94 0.06 . . . . . 15852 1
72 . 1 1 77 77 LYS N N 15 1.34 0.06 . . . . . 15852 1
73 . 1 1 79 79 THR N N 15 1.27 0.03 . . . . . 15852 1
74 . 1 1 80 80 ASP N N 15 1.41 0.04 . . . . . 15852 1
75 . 1 1 81 81 SER N N 15 1.26 0.04 . . . . . 15852 1
76 . 1 1 82 82 GLU N N 15 1.24 0.07 . . . . . 15852 1
77 . 1 1 83 83 GLU N N 15 1.08 0.03 . . . . . 15852 1
78 . 1 1 85 85 ILE N N 15 1.10 0.03 . . . . . 15852 1
79 . 1 1 86 86 ARG N N 15 1.03 0.05 . . . . . 15852 1
80 . 1 1 88 88 ALA N N 15 1.07 0.03 . . . . . 15852 1
81 . 1 1 89 89 PHE N N 15 1.09 0.04 . . . . . 15852 1
82 . 1 1 90 90 ARG N N 15 0.99 0.02 . . . . . 15852 1
83 . 1 1 91 91 VAL N N 15 0.96 0.02 . . . . . 15852 1
84 . 1 1 92 92 PHE N N 15 0.90 0.05 . . . . . 15852 1
85 . 1 1 93 93 ASP N N 15 0.89 0.02 . . . . . 15852 1
86 . 1 1 94 94 LYS N N 15 0.98 0.02 . . . . . 15852 1
87 . 1 1 95 95 ASP N N 15 0.97 0.02 . . . . . 15852 1
88 . 1 1 96 96 GLY N N 15 0.99 0.02 . . . . . 15852 1
89 . 1 1 97 97 ASN N N 15 1.03 0.03 . . . . . 15852 1
90 . 1 1 98 98 GLY N N 15 0.95 0.03 . . . . . 15852 1
91 . 1 1 99 99 TYR N N 15 1.06 0.04 . . . . . 15852 1
92 . 1 1 100 100 ILE N N 15 0.90 0.04 . . . . . 15852 1
93 . 1 1 101 101 SER N N 15 0.98 0.03 . . . . . 15852 1
94 . 1 1 102 102 ALA N N 15 0.96 0.02 . . . . . 15852 1
95 . 1 1 103 103 ALA N N 15 1.02 0.03 . . . . . 15852 1
96 . 1 1 104 104 GLU N N 15 0.91 0.02 . . . . . 15852 1
97 . 1 1 105 105 LEU N N 15 0.88 0.03 . . . . . 15852 1
98 . 1 1 106 106 ARG N N 15 0.93 0.02 . . . . . 15852 1
99 . 1 1 107 107 HIS N N 15 0.95 0.04 . . . . . 15852 1
100 . 1 1 108 108 VAL N N 15 0.98 0.02 . . . . . 15852 1
101 . 1 1 109 109 MET N N 15 0.93 0.04 . . . . . 15852 1
102 . 1 1 110 110 THR N N 15 1.16 0.14 . . . . . 15852 1
103 . 1 1 111 111 ASN N N 15 0.99 0.03 . . . . . 15852 1
104 . 1 1 112 112 LEU N N 15 0.84 0.02 . . . . . 15852 1
105 . 1 1 113 113 GLY N N 15 1.09 0.04 . . . . . 15852 1
106 . 1 1 114 114 GLU N N 15 1.09 0.03 . . . . . 15852 1
107 . 1 1 115 115 LYS N N 15 1.03 0.03 . . . . . 15852 1
108 . 1 1 116 116 LEU N N 15 0.92 0.02 . . . . . 15852 1
109 . 1 1 117 117 THR N N 15 0.99 0.02 . . . . . 15852 1
110 . 1 1 118 118 ASP N N 15 1.17 0.03 . . . . . 15852 1
111 . 1 1 120 120 GLU N N 15 1.02 0.381 . . . . . 15852 1
112 . 1 1 121 121 VAL N N 15 1.07 0.03 . . . . . 15852 1
113 . 1 1 122 122 ASP N N 15 0.94 0.02 . . . . . 15852 1
114 . 1 1 124 124 MET N N 15 0.94 0.02 . . . . . 15852 1
115 . 1 1 127 127 GLU N N 15 0.96 0.03 . . . . . 15852 1
116 . 1 1 128 128 ALA N N 15 0.91 0.02 . . . . . 15852 1
117 . 1 1 129 129 ASP N N 15 0.95 0.02 . . . . . 15852 1
118 . 1 1 130 130 ILE N N 15 0.69 0.02 . . . . . 15852 1
119 . 1 1 131 131 ASP N N 15 0.91 0.02 . . . . . 15852 1
120 . 1 1 132 132 GLY N N 15 0.83 0.03 . . . . . 15852 1
121 . 1 1 133 133 ASP N N 15 0.95 0.11 . . . . . 15852 1
122 . 1 1 134 134 GLY N N 15 1.02 0.03 . . . . . 15852 1
123 . 1 1 135 135 GLN N N 15 1.01 0.03 . . . . . 15852 1
124 . 1 1 136 136 VAL N N 15 0.93 0.02 . . . . . 15852 1
125 . 1 1 137 137 ASN N N 15 0.95 0.04 . . . . . 15852 1
126 . 1 1 138 138 TYR N N 15 0.99 0.02 . . . . . 15852 1
127 . 1 1 139 139 GLU N N 15 0.93 0.02 . . . . . 15852 1
128 . 1 1 140 140 GLU N N 15 0.96 0.02 . . . . . 15852 1
129 . 1 1 141 141 PHE N N 15 0.98 0.03 . . . . . 15852 1
130 . 1 1 142 142 VAL N N 15 0.97 0.03 . . . . . 15852 1
131 . 1 1 143 143 GLN N N 15 0.95 0.02 . . . . . 15852 1
132 . 1 1 144 144 MET N N 15 0.94 0.02 . . . . . 15852 1
133 . 1 1 145 145 MET N N 15 0.99 0.05 . . . . . 15852 1
134 . 1 1 146 146 THR N N 15 1.01 0.03 . . . . . 15852 1
135 . 1 1 147 147 ALA N N 15 1.27 0.03 . . . . . 15852 1
136 . 1 1 148 148 LYS N N 15 0.98 0.02 . . . . . 15852 1
stop_
save_
########################################
# Heteronuclear T2 relaxation values #
########################################
save_heteronuclear_T2_list_1
_Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation
_Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1
_Heteronucl_T2_list.Entry_ID 15852
_Heteronucl_T2_list.ID 1
_Heteronucl_T2_list.Sample_condition_list_ID 1
_Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_T2_list.Temp_calibration_method .
_Heteronucl_T2_list.Temp_control_method .
_Heteronucl_T2_list.Spectrometer_frequency_1H 700.13
_Heteronucl_T2_list.T2_coherence_type Nz
_Heteronucl_T2_list.T2_val_units s-1
_Heteronucl_T2_list.Rex_units .
_Heteronucl_T2_list.Details .
_Heteronucl_T2_list.Text_data_format .
_Heteronucl_T2_list.Text_data .
loop_
_Heteronucl_T2_experiment.Experiment_ID
_Heteronucl_T2_experiment.Experiment_name
_Heteronucl_T2_experiment.Sample_ID
_Heteronucl_T2_experiment.Sample_label
_Heteronucl_T2_experiment.Sample_state
_Heteronucl_T2_experiment.Entry_ID
_Heteronucl_T2_experiment.Heteronucl_T2_list_ID
6 'relaxation measurement' . . . 15852 1
stop_
loop_
_Heteronucl_T2_software.Software_ID
_Heteronucl_T2_software.Software_label
_Heteronucl_T2_software.Method_ID
_Heteronucl_T2_software.Method_label
_Heteronucl_T2_software.Entry_ID
_Heteronucl_T2_software.Heteronucl_T2_list_ID
4 $SPARKY . . 15852 1
stop_
loop_
_T2.ID
_T2.Assembly_atom_ID
_T2.Entity_assembly_ID
_T2.Entity_ID
_T2.Comp_index_ID
_T2.Seq_ID
_T2.Comp_ID
_T2.Atom_ID
_T2.Atom_type
_T2.Atom_isotope_number
_T2.T2_val
_T2.T2_val_err
_T2.Rex_val
_T2.Rex_err
_T2.Resonance_ID
_T2.Auth_entity_assembly_ID
_T2.Auth_seq_ID
_T2.Auth_comp_ID
_T2.Auth_atom_ID
_T2.Entry_ID
_T2.Heteronucl_T2_list_ID
1 . 1 1 3 3 GLN N N 15 9.03 0.58 . . . . . . . 15852 1
2 . 1 1 4 4 LEU N N 15 12.97 0.51 . . . . . . . 15852 1
3 . 1 1 5 5 THR N N 15 14.61 0.58 . . . . . . . 15852 1
4 . 1 1 6 6 GLU N N 15 16.95 0.78 . . . . . . . 15852 1
5 . 1 1 7 7 GLU N N 15 16.02 0.64 . . . . . . . 15852 1
6 . 1 1 8 8 GLN N N 15 16.23 0.64 . . . . . . . 15852 1
7 . 1 1 9 9 ILE N N 15 15.94 0.63 . . . . . . . 15852 1
8 . 1 1 10 10 ALA N N 15 16.75 0.67 . . . . . . . 15852 1
9 . 1 1 11 11 GLU N N 15 16.54 0.66 . . . . . . . 15852 1
10 . 1 1 12 12 PHE N N 15 17.00 0.68 . . . . . . . 15852 1
11 . 1 1 13 13 LYS N N 15 16.91 0.67 . . . . . . . 15852 1
12 . 1 1 14 14 GLU N N 15 17.62 0.70 . . . . . . . 15852 1
13 . 1 1 15 15 ALA N N 15 16.93 0.67 . . . . . . . 15852 1
14 . 1 1 16 16 PHE N N 15 16.42 0.65 . . . . . . . 15852 1
15 . 1 1 17 17 SER N N 15 15.33 0.61 . . . . . . . 15852 1
16 . 1 1 18 18 LEU N N 15 16.55 0.66 . . . . . . . 15852 1
17 . 1 1 19 19 PHE N N 15 15.43 0.61 . . . . . . . 15852 1
18 . 1 1 20 20 ASP N N 15 23.04 1.89 . . . . . . . 15852 1
19 . 1 1 21 21 LYS N N 15 14.49 0.57 . . . . . . . 15852 1
20 . 1 1 22 22 ASP N N 15 16.19 0.64 . . . . . . . 15852 1
21 . 1 1 23 23 GLY N N 15 16.30 0.75 . . . . . . . 15852 1
22 . 1 1 24 24 ASP N N 15 22.01 1.78 . . . . . . . 15852 1
23 . 1 1 25 25 GLY N N 15 17.05 0.68 . . . . . . . 15852 1
24 . 1 1 26 26 THR N N 15 16.31 0.65 . . . . . . . 15852 1
25 . 1 1 27 27 ILE N N 15 15.50 0.62 . . . . . . . 15852 1
26 . 1 1 28 28 THR N N 15 19.67 0.78 . . . . . . . 15852 1
27 . 1 1 29 29 THR N N 15 18.04 0.72 . . . . . . . 15852 1
28 . 1 1 30 30 LYS N N 15 27.25 1.09 . . . . . . . 15852 1
29 . 1 1 31 31 GLU N N 15 18.64 0.74 . . . . . . . 15852 1
30 . 1 1 32 32 LEU N N 15 19.75 0.79 . . . . . . . 15852 1
31 . 1 1 33 33 GLY N N 15 16.96 0.67 . . . . . . . 15852 1
32 . 1 1 34 34 THR N N 15 15.78 0.68 . . . . . . . 15852 1
33 . 1 1 35 35 VAL N N 15 19.00 0.85 . . . . . . . 15852 1
34 . 1 1 36 36 MET N N 15 17.07 0.80 . . . . . . . 15852 1
35 . 1 1 37 37 ARG N N 15 18.22 0.72 . . . . . . . 15852 1
36 . 1 1 38 38 SER N N 15 18.36 0.73 . . . . . . . 15852 1
37 . 1 1 39 39 LEU N N 15 21.73 0.86 . . . . . . . 15852 1
38 . 1 1 40 40 GLY N N 15 13.91 0.55 . . . . . . . 15852 1
39 . 1 1 41 41 GLN N N 15 15.57 0.62 . . . . . . . 15852 1
40 . 1 1 42 42 ASN N N 15 13.95 0.55 . . . . . . . 15852 1
41 . 1 1 44 44 THR N N 15 14.64 0.58 . . . . . . . 15852 1
42 . 1 1 45 45 GLU N N 15 15.34 0.61 . . . . . . . 15852 1
43 . 1 1 46 46 ALA N N 15 16.70 0.66 . . . . . . . 15852 1
44 . 1 1 47 47 GLU N N 15 17.14 0.68 . . . . . . . 15852 1
45 . 1 1 49 49 GLN N N 15 16.17 0.64 . . . . . . . 15852 1
46 . 1 1 50 50 ASP N N 15 15.91 0.63 . . . . . . . 15852 1
47 . 1 1 51 51 MET N N 15 16.92 0.67 . . . . . . . 15852 1
48 . 1 1 52 52 ILE N N 15 15.54 0.62 . . . . . . . 15852 1
49 . 1 1 53 53 ASN N N 15 16.13 0.64 . . . . . . . 15852 1
50 . 1 1 54 54 GLU N N 15 17.34 0.69 . . . . . . . 15852 1
51 . 1 1 55 55 VAL N N 15 17.59 0.70 . . . . . . . 15852 1
52 . 1 1 56 56 ASP N N 15 15.13 0.60 . . . . . . . 15852 1
53 . 1 1 57 57 ALA N N 15 11.44 0.79 . . . . . . . 15852 1
54 . 1 1 58 58 ASP N N 15 16.94 0.67 . . . . . . . 15852 1
55 . 1 1 59 59 GLY N N 15 15.55 0.62 . . . . . . . 15852 1
56 . 1 1 60 60 ASP N N 15 17.37 0.69 . . . . . . . 15852 1
57 . 1 1 61 61 GLY N N 15 15.78 0.63 . . . . . . . 15852 1
58 . 1 1 62 62 THR N N 15 17.25 0.69 . . . . . . . 15852 1
59 . 1 1 63 63 ILE N N 15 19.02 0.76 . . . . . . . 15852 1
60 . 1 1 64 64 ASP N N 15 14.92 0.59 . . . . . . . 15852 1
61 . 1 1 65 65 PHE N N 15 16.65 0.66 . . . . . . . 15852 1
62 . 1 1 67 67 GLU N N 15 16.23 0.64 . . . . . . . 15852 1
63 . 1 1 68 68 PHE N N 15 15.91 0.63 . . . . . . . 15852 1
64 . 1 1 69 69 LEU N N 15 15.48 0.61 . . . . . . . 15852 1
65 . 1 1 70 70 THR N N 15 15.82 0.63 . . . . . . . 15852 1
66 . 1 1 71 71 MET N N 15 18.51 0.74 . . . . . . . 15852 1
67 . 1 1 72 72 MET N N 15 15.13 0.60 . . . . . . . 15852 1
68 . 1 1 73 73 ALA N N 15 17.46 0.69 . . . . . . . 15852 1
69 . 1 1 74 74 ARG N N 15 16.69 0.66 . . . . . . . 15852 1
70 . 1 1 75 75 LYS N N 15 15.42 0.61 . . . . . . . 15852 1
71 . 1 1 76 76 MET N N 15 16.17 0.64 . . . . . . . 15852 1
72 . 1 1 77 77 LYS N N 15 16.73 0.66 . . . . . . . 15852 1
73 . 1 1 79 79 THR N N 15 14.01 0.56 . . . . . . . 15852 1
74 . 1 1 80 80 ASP N N 15 13.50 0.54 . . . . . . . 15852 1
75 . 1 1 81 81 SER N N 15 16.26 0.65 . . . . . . . 15852 1
76 . 1 1 82 82 GLU N N 15 17.20 0.73 . . . . . . . 15852 1
77 . 1 1 83 83 GLU N N 15 17.14 0.68 . . . . . . . 15852 1
78 . 1 1 85 85 ILE N N 15 17.04 0.68 . . . . . . . 15852 1
79 . 1 1 86 86 ARG N N 15 16.47 0.65 . . . . . . . 15852 1
80 . 1 1 88 88 ALA N N 15 17.61 0.70 . . . . . . . 15852 1
81 . 1 1 89 89 PHE N N 15 16.89 0.68 . . . . . . . 15852 1
82 . 1 1 90 90 ARG N N 15 16.84 0.67 . . . . . . . 15852 1
83 . 1 1 91 91 VAL N N 15 16.99 0.67 . . . . . . . 15852 1
84 . 1 1 92 92 PHE N N 15 24.82 1.66 . . . . . . . 15852 1
85 . 1 1 93 93 ASP N N 15 18.57 0.74 . . . . . . . 15852 1
86 . 1 1 94 94 LYS N N 15 14.21 0.56 . . . . . . . 15852 1
87 . 1 1 95 95 ASP N N 15 16.02 0.64 . . . . . . . 15852 1
88 . 1 1 96 96 GLY N N 15 16.06 0.64 . . . . . . . 15852 1
89 . 1 1 97 97 ASN N N 15 17.98 0.71 . . . . . . . 15852 1
90 . 1 1 98 98 GLY N N 15 18.43 0.73 . . . . . . . 15852 1
91 . 1 1 99 99 TYR N N 15 15.72 0.62 . . . . . . . 15852 1
92 . 1 1 100 100 ILE N N 15 14.36 0.57 . . . . . . . 15852 1
93 . 1 1 101 101 SER N N 15 18.79 0.75 . . . . . . . 15852 1
94 . 1 1 102 102 ALA N N 15 17.54 0.70 . . . . . . . 15852 1
95 . 1 1 103 103 ALA N N 15 17.12 0.68 . . . . . . . 15852 1
96 . 1 1 104 104 GLU N N 15 17.79 0.71 . . . . . . . 15852 1
97 . 1 1 105 105 LEU N N 15 19.84 0.79 . . . . . . . 15852 1
98 . 1 1 106 106 ARG N N 15 18.39 0.73 . . . . . . . 15852 1
99 . 1 1 107 107 HIS N N 15 19.66 0.78 . . . . . . . 15852 1
100 . 1 1 108 108 VAL N N 15 18.01 0.72 . . . . . . . 15852 1
101 . 1 1 109 109 MET N N 15 17.61 0.70 . . . . . . . 15852 1
102 . 1 1 110 110 THR N N 15 19.34 0.77 . . . . . . . 15852 1
103 . 1 1 111 111 ASN N N 15 17.32 0.69 . . . . . . . 15852 1
104 . 1 1 112 112 LEU N N 15 17.63 0.70 . . . . . . . 15852 1
105 . 1 1 113 113 GLY N N 15 15.94 0.63 . . . . . . . 15852 1
106 . 1 1 114 114 GLU N N 15 16.65 0.66 . . . . . . . 15852 1
107 . 1 1 115 115 LYS N N 15 11.28 0.61 . . . . . . . 15852 1
108 . 1 1 116 116 LEU N N 15 11.71 0.46 . . . . . . . 15852 1
109 . 1 1 117 117 THR N N 15 15.57 0.62 . . . . . . . 15852 1
110 . 1 1 118 118 ASP N N 15 16.39 0.65 . . . . . . . 15852 1
111 . 1 1 120 120 GLU N N 15 13.78 0.67 . . . . . . . 15852 1
112 . 1 1 121 121 VAL N N 15 16.03 1.31 . . . . . . . 15852 1
113 . 1 1 122 122 ASP N N 15 18.35 0.73 . . . . . . . 15852 1
114 . 1 1 124 124 MET N N 15 16.95 0.72 . . . . . . . 15852 1
115 . 1 1 127 127 GLU N N 15 20.22 0.80 . . . . . . . 15852 1
116 . 1 1 128 128 ALA N N 15 15.67 0.62 . . . . . . . 15852 1
117 . 1 1 129 129 ASP N N 15 14.63 0.58 . . . . . . . 15852 1
118 . 1 1 130 130 ILE N N 15 11.40 0.45 . . . . . . . 15852 1
119 . 1 1 131 131 ASP N N 15 17.62 0.70 . . . . . . . 15852 1
120 . 1 1 132 132 GLY N N 15 15.28 0.72 . . . . . . . 15852 1
121 . 1 1 133 133 ASP N N 15 14.31 1.01 . . . . . . . 15852 1
122 . 1 1 134 134 GLY N N 15 16.02 0.64 . . . . . . . 15852 1
123 . 1 1 135 135 GLN N N 15 16.48 0.65 . . . . . . . 15852 1
124 . 1 1 136 136 VAL N N 15 15.04 0.60 . . . . . . . 15852 1
125 . 1 1 137 137 ASN N N 15 16.93 0.67 . . . . . . . 15852 1
126 . 1 1 138 138 TYR N N 15 12.43 0.83 . . . . . . . 15852 1
127 . 1 1 139 139 GLU N N 15 16.30 0.65 . . . . . . . 15852 1
128 . 1 1 140 140 GLU N N 15 16.64 0.66 . . . . . . . 15852 1
129 . 1 1 141 141 PHE N N 15 20.57 1.39 . . . . . . . 15852 1
130 . 1 1 142 142 VAL N N 15 16.31 0.65 . . . . . . . 15852 1
131 . 1 1 143 143 GLN N N 15 16.98 0.67 . . . . . . . 15852 1
132 . 1 1 144 144 MET N N 15 29.71 1.18 . . . . . . . 15852 1
133 . 1 1 145 145 MET N N 15 24.27 0.97 . . . . . . . 15852 1
134 . 1 1 146 146 THR N N 15 16.99 1.06 . . . . . . . 15852 1
135 . 1 1 147 147 ALA N N 15 12.72 0.50 . . . . . . . 15852 1
136 . 1 1 148 148 LYS N N 15 8.88 0.64 . . . . . . . 15852 1
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