data_4911
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 4911
_Entry.Title
;
Structural Basis of Diverse Sequence-dependent Target Recognition by the 8kDa
Dynein light chain
;
_Entry.Type .
_Entry.Version_type original
_Entry.Submission_date 2000-12-06
_Entry.Accession_date 2000-12-06
_Entry.Last_release_date 2001-08-08
_Entry.Original_release_date 2001-08-08
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 2.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_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 Jing-Song Fan . . . 4911
2 Qiang Zhang . . . 4911
3 Hidehito Tochio . . . 4911
4 Ming Li . . . 4911
5 Mingjie Zhang . . . 4911
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 4911
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 632 4911
'13C chemical shifts' 259 4911
'15N chemical shifts' 97 4911
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2001-08-08 2000-12-06 original author . 4911
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 4912 'free form' 4911
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 4911
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code 21103709
_Citation.DOI .
_Citation.PubMed_ID 11178896
_Citation.Full_citation .
_Citation.Title
;
Structural Basis of Diverse Sequence-dependent Target Recognition by the 8kDa
Dynein light chain
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Mol. Biol.'
_Citation.Journal_name_full 'Journal of Molecular Biology'
_Citation.Journal_volume 306
_Citation.Journal_issue 1
_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 97
_Citation.Page_last 108
_Citation.Year 2001
_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 Jing-Song Fan . . . 4911 1
2 Qiang Zhang . . . 4911 1
3 Hidehito Tochio . . . 4911 1
4 Ming Li . . . 4911 1
5 Mingjie Zhang . . . 4911 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
dynein 4911 1
'light chain' 4911 1
DLC8 4911 1
nNOS 4911 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_LC
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_LC
_Assembly.Entry_ID 4911
_Assembly.ID 1
_Assembly.Name 'DYNEIN light chain 8 (dlc8) and nNOS (fragment peptide) complex'
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'all free'
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Assembly_type.Type
_Assembly_type.Entry_ID
_Assembly_type.Assembly_ID
dimer 4911 1
stop_
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 'DYNEIN light chain 8, DLC8, subunit a' 1 $DLC8 . . . native . . 1 . . 4911 1
2 'DYNEIN light chain 8, DLC8, subunit b' 1 $DLC8 . . . native . . 1 . . 4911 1
3 'nNOS fragment peptide, subunit a' 2 $nNOS . . . native . . 2 . . 4911 1
4 'nNOS fragment peptide, subunit b' 2 $nNOS . . . native . . 2 . . 4911 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
. PDB 1F96 . 'DLC8/nNOS peptide complex' . . . . 4911 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
'DYNEIN light chain 8 (dlc8) and nNOS (fragment peptide) complex' system 4911 1
LC8 abbreviation 4911 1
stop_
loop_
_Assembly_bio_function.Biological_function
_Assembly_bio_function.Entry_ID
_Assembly_bio_function.Assembly_ID
'multifunctional regulatory protein' 4911 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_DLC8
_Entity.Sf_category entity
_Entity.Sf_framecode DLC8
_Entity.Entry_ID 4911
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'DYNEIN light chain 8'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MCDRKAVIKNADMSEEMQQD
SVECATQALEKYNIEKDIAA
HIKKEFDKKYNPTWHCIVGR
NFGSYVTHETKHFIYFYLGQ
VAILLFKSG
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 89
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'all free'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 10300
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details
;
DLC8 is a dimer in physiological condition.
But it migrates 8KDa on SDS-PAGE.
;
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2008-08-19
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
. . SWISS-PROT P63169 . 'Dynein light chain 1, cytoplasmic (Dynein light chain LC8-type 1) (8 kDa dynein light chain) (DLC8) (Protein inhibitor of neuronal nitric oxide synthase) (PIN)' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . SWISS-PROT P63168 . 'Dynein light chain 1, cytoplasmic (Dynein light chain LC8-type 1) (8 kDa dynein light chain) (DLC8) (Protein inhibitor of neuronal nitric oxide synthase) (PIN) (mPIN)' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . SWISS-PROT P63167 . 'Dynein light chain 1, cytoplasmic (Dynein light chain LC8-type 1) (8 kDa dynein light chain) (DLC8) (Protein inhibitor of neuronal nitric oxide synthase) (PIN)' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . SWISS-PROT P61285 . 'Dynein light chain 1, cytoplasmic (Dynein light chain LC8-type 1)' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . SWISS-PROT P61273 . 'Dynein light chain 1, cytoplasmic (Dynein light chain LC8-type 1)' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . REF NP_003737 . 'dynein light chain 1 [Homo sapiens]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . REF NP_001075487 . 'protein inhibitor of neuronal nitric oxide synthase [Oryctolagus cuniculus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . REF NP_001032584 . 'dynein light chain 1 [Homo sapiens]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . REF NP_001032583 . 'dynein light chain 1 [Homo sapiens]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . REF NP_001003901 . 'dynein, light chain, LC8-type 1 [Bos taurus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . GenBank AAD01643 . 'protein inhibitor of nitric oxide synthase [Mus musculus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . GenBank AAC32531 . 'protein inhibitor of neuronal nitric oxide synthase [Oryctolagus cuniculus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . GenBank AAC32530 . 'protein inhibitor of neuronal nitric oxide synthase [Oryctolagus cuniculus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . GenBank AAB38257 . 'protein inhibitor of neuronal nitric oxide synthase [Rattus norvegicus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . GenBank AAB04149 . 'cytoplasmic dynein light chain 1' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . EMBL CAG46925 . 'DNCL1 [Homo sapiens]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . EMBL CAG28600 . 'DNCL1 [Homo sapiens]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . DBJ BAB28973 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 89 98.88 98.88 4.45e-46 . . . . 4911 1
. . DBJ BAB28970 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . DBJ BAB27117 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . DBJ BAB27063 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . DBJ BAB22160 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . PDB 1F96 . 'Solution Structure Of Dynein Light Chain 8 (Dlc8) And Nnos Peptide Complex' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . PDB 1F95 . 'Solution Structure Of Dynein Light Chain 8 (Dlc8) And Bim Peptide Complex' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . PDB 1F3C . 'Refined Solution Structure Of 8kda Dynein Light Chain (Dlc8)' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . PDB 1CMI . 'Structure Of The Human PinLC8 DIMER WITH A BOUND PEPTIDE' . . . . . 95.51 85 100.00 100.00 1.03e-43 . . . . 4911 1
. . BMRB 4931 . 'DYNEIN light chain 8' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . BMRB 4912 . 'dynein light chain 8' . . . . . 100.00 89 100.00 100.00 1.30e-46 . . . . 4911 1
. . BMRB 4305 . PIN . . . . . 100.00 92 100.00 100.00 1.22e-46 . . . . 4911 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'DYNEIN light chain 8' common 4911 1
PIN variant 4911 1
DLC8 abbreviation 4911 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . MET . 4911 1
2 . CYS . 4911 1
3 . ASP . 4911 1
4 . ARG . 4911 1
5 . LYS . 4911 1
6 . ALA . 4911 1
7 . VAL . 4911 1
8 . ILE . 4911 1
9 . LYS . 4911 1
10 . ASN . 4911 1
11 . ALA . 4911 1
12 . ASP . 4911 1
13 . MET . 4911 1
14 . SER . 4911 1
15 . GLU . 4911 1
16 . GLU . 4911 1
17 . MET . 4911 1
18 . GLN . 4911 1
19 . GLN . 4911 1
20 . ASP . 4911 1
21 . SER . 4911 1
22 . VAL . 4911 1
23 . GLU . 4911 1
24 . CYS . 4911 1
25 . ALA . 4911 1
26 . THR . 4911 1
27 . GLN . 4911 1
28 . ALA . 4911 1
29 . LEU . 4911 1
30 . GLU . 4911 1
31 . LYS . 4911 1
32 . TYR . 4911 1
33 . ASN . 4911 1
34 . ILE . 4911 1
35 . GLU . 4911 1
36 . LYS . 4911 1
37 . ASP . 4911 1
38 . ILE . 4911 1
39 . ALA . 4911 1
40 . ALA . 4911 1
41 . HIS . 4911 1
42 . ILE . 4911 1
43 . LYS . 4911 1
44 . LYS . 4911 1
45 . GLU . 4911 1
46 . PHE . 4911 1
47 . ASP . 4911 1
48 . LYS . 4911 1
49 . LYS . 4911 1
50 . TYR . 4911 1
51 . ASN . 4911 1
52 . PRO . 4911 1
53 . THR . 4911 1
54 . TRP . 4911 1
55 . HIS . 4911 1
56 . CYS . 4911 1
57 . ILE . 4911 1
58 . VAL . 4911 1
59 . GLY . 4911 1
60 . ARG . 4911 1
61 . ASN . 4911 1
62 . PHE . 4911 1
63 . GLY . 4911 1
64 . SER . 4911 1
65 . TYR . 4911 1
66 . VAL . 4911 1
67 . THR . 4911 1
68 . HIS . 4911 1
69 . GLU . 4911 1
70 . THR . 4911 1
71 . LYS . 4911 1
72 . HIS . 4911 1
73 . PHE . 4911 1
74 . ILE . 4911 1
75 . TYR . 4911 1
76 . PHE . 4911 1
77 . TYR . 4911 1
78 . LEU . 4911 1
79 . GLY . 4911 1
80 . GLN . 4911 1
81 . VAL . 4911 1
82 . ALA . 4911 1
83 . ILE . 4911 1
84 . LEU . 4911 1
85 . LEU . 4911 1
86 . PHE . 4911 1
87 . LYS . 4911 1
88 . SER . 4911 1
89 . GLY . 4911 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 4911 1
. CYS 2 2 4911 1
. ASP 3 3 4911 1
. ARG 4 4 4911 1
. LYS 5 5 4911 1
. ALA 6 6 4911 1
. VAL 7 7 4911 1
. ILE 8 8 4911 1
. LYS 9 9 4911 1
. ASN 10 10 4911 1
. ALA 11 11 4911 1
. ASP 12 12 4911 1
. MET 13 13 4911 1
. SER 14 14 4911 1
. GLU 15 15 4911 1
. GLU 16 16 4911 1
. MET 17 17 4911 1
. GLN 18 18 4911 1
. GLN 19 19 4911 1
. ASP 20 20 4911 1
. SER 21 21 4911 1
. VAL 22 22 4911 1
. GLU 23 23 4911 1
. CYS 24 24 4911 1
. ALA 25 25 4911 1
. THR 26 26 4911 1
. GLN 27 27 4911 1
. ALA 28 28 4911 1
. LEU 29 29 4911 1
. GLU 30 30 4911 1
. LYS 31 31 4911 1
. TYR 32 32 4911 1
. ASN 33 33 4911 1
. ILE 34 34 4911 1
. GLU 35 35 4911 1
. LYS 36 36 4911 1
. ASP 37 37 4911 1
. ILE 38 38 4911 1
. ALA 39 39 4911 1
. ALA 40 40 4911 1
. HIS 41 41 4911 1
. ILE 42 42 4911 1
. LYS 43 43 4911 1
. LYS 44 44 4911 1
. GLU 45 45 4911 1
. PHE 46 46 4911 1
. ASP 47 47 4911 1
. LYS 48 48 4911 1
. LYS 49 49 4911 1
. TYR 50 50 4911 1
. ASN 51 51 4911 1
. PRO 52 52 4911 1
. THR 53 53 4911 1
. TRP 54 54 4911 1
. HIS 55 55 4911 1
. CYS 56 56 4911 1
. ILE 57 57 4911 1
. VAL 58 58 4911 1
. GLY 59 59 4911 1
. ARG 60 60 4911 1
. ASN 61 61 4911 1
. PHE 62 62 4911 1
. GLY 63 63 4911 1
. SER 64 64 4911 1
. TYR 65 65 4911 1
. VAL 66 66 4911 1
. THR 67 67 4911 1
. HIS 68 68 4911 1
. GLU 69 69 4911 1
. THR 70 70 4911 1
. LYS 71 71 4911 1
. HIS 72 72 4911 1
. PHE 73 73 4911 1
. ILE 74 74 4911 1
. TYR 75 75 4911 1
. PHE 76 76 4911 1
. TYR 77 77 4911 1
. LEU 78 78 4911 1
. GLY 79 79 4911 1
. GLN 80 80 4911 1
. VAL 81 81 4911 1
. ALA 82 82 4911 1
. ILE 83 83 4911 1
. LEU 84 84 4911 1
. LEU 85 85 4911 1
. PHE 86 86 4911 1
. LYS 87 87 4911 1
. SER 88 88 4911 1
. GLY 89 89 4911 1
stop_
save_
save_nNOS
_Entity.Sf_category entity
_Entity.Sf_framecode nNOS
_Entity.Entry_ID 4911
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name 'nNOS peptide'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code MKDTKIQVDRDLDGKSHK
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 18
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID 2
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 2000
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date 2008-08-19
_Entity.DB_query_revised_last_date 2005-12-09
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'nNOS peptide' common 4911 2
nNOS abbreviation 4911 2
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . MET . 4911 2
2 . LYS . 4911 2
3 . ASP . 4911 2
4 . THR . 4911 2
5 . LYS . 4911 2
6 . ILE . 4911 2
7 . GLN . 4911 2
8 . VAL . 4911 2
9 . ASP . 4911 2
10 . ARG . 4911 2
11 . ASP . 4911 2
12 . LEU . 4911 2
13 . ASP . 4911 2
14 . GLY . 4911 2
15 . LYS . 4911 2
16 . SER . 4911 2
17 . HIS . 4911 2
18 . LYS . 4911 2
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 4911 2
. LYS 2 2 4911 2
. ASP 3 3 4911 2
. THR 4 4 4911 2
. LYS 5 5 4911 2
. ILE 6 6 4911 2
. GLN 7 7 4911 2
. VAL 8 8 4911 2
. ASP 9 9 4911 2
. ARG 10 10 4911 2
. ASP 11 11 4911 2
. LEU 12 12 4911 2
. ASP 13 13 4911 2
. GLY 14 14 4911 2
. LYS 15 15 4911 2
. SER 16 16 4911 2
. HIS 17 17 4911 2
. LYS 18 18 4911 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 4911
_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 $DLC8 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 4911 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 4911
_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 $DLC8 . 'recombinant technology' 'E. coli' Bacteria . . . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . 4911 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 4911
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_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 'DYNEIN light chain 8' '[U-13C; U-15N]' . . 1 $DLC8 . . 1.5 . . mM . . . . 4911 1
2 'nNOS peptide' '[U-13C; U-15N]' . . 2 $nNOS . . 1.5 . . mM . . . . 4911 1
3 'phosphate buffer' . . . . . . . 100 . . mM . . . . 4911 1
4 DTT . . . . . . . 10 . . mM . . . . 4911 1
5 D2O . . . . . . . 10 . . % . . . . 4911 1
6 H2O . . . . . . . 90 . . % . . . . 4911 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_cond_1
_Sample_condition_list.Entry_ID 4911
_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
pH 7.0 0.2 n/a 4911 1
temperature 303 0.1 K 4911 1
'ionic strength' 100 0.02 mM 4911 1
pressure 1 . atm 4911 1
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Software.Sf_category software
_Software.Sf_framecode VNMR
_Software.Entry_ID 4911
_Software.ID 1
_Software.Name VNMR
_Software.Version 6.1b
_Software.Details varian
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data collection' 4911 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 4911
_Software.ID 2
_Software.Name NMRPipe
_Software.Version 1.7
_Software.Details 'F. Delaglio'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 4911 2
stop_
save_
save_X-PLOR
_Software.Sf_category software
_Software.Sf_framecode X-PLOR
_Software.Entry_ID 4911
_Software.ID 3
_Software.Name X-PLOR
_Software.Version 3.8
_Software.Details 'Brunger, A'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 4911 3
stop_
save_
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 4911
_Software.ID 4
_Software.Name CNS
_Software.Version 1.0
_Software.Details 'Brunger, A'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
spectra 4911 4
refinement 4911 4
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 4911
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_NMR_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_2
_NMR_spectrometer.Entry_ID 4911
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 750
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 4911
_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 NMR_spectrometer_1 Varian INOVA . 500 . . . 4911 1
2 NMR_spectrometer_2 Varian INOVA . 750 . . . 4911 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 4911
_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 'HNCACB and CBCACONNH for backbone assignment' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4911 1
2 'HCCH-TOCSY for side-chain assignment' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4911 1
stop_
save_
save_NMR_spec_expt__0_1
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1
_NMR_spec_expt.Entry_ID 4911
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name NMR_spec_expt__0_1
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_2
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2
_NMR_spec_expt.Entry_ID 4911
_NMR_spec_expt.ID 2
_NMR_spec_expt.Name NMR_spec_expt__0_2
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__1_1
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__1_1
_NMR_spec_expt.Entry_ID 4911
_NMR_spec_expt.ID 3
_NMR_spec_expt.Name NMR_spec_expt__1_1
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__1_2
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__1_2
_NMR_spec_expt.Entry_ID 4911
_NMR_spec_expt.ID 4
_NMR_spec_expt.Name NMR_spec_expt__1_2
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__2_1
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__2_1
_NMR_spec_expt.Entry_ID 4911
_NMR_spec_expt.ID 5
_NMR_spec_expt.Name NMR_spec_expt__2_1
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__2_2
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__2_2
_NMR_spec_expt.Entry_ID 4911
_NMR_spec_expt.ID 6
_NMR_spec_expt.Name NMR_spec_expt__2_2
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__3_1
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__3_1
_NMR_spec_expt.Entry_ID 4911
_NMR_spec_expt.ID 7
_NMR_spec_expt.Name NMR_spec_expt__3_1
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__3_2
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__3_2
_NMR_spec_expt.Entry_ID 4911
_NMR_spec_expt.ID 8
_NMR_spec_expt.Name NMR_spec_expt__3_2
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference
_Chem_shift_reference.Entry_ID 4911
_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
H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4911 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4911 1
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4911 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 4911
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_1 . 4911 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET N N 15 122.2400 0.05 . 1 . . . . . . . . 4911 1
2 . 1 1 1 1 MET H H 1 8.4700 0.02 . 1 . . . . . . . . 4911 1
3 . 1 1 1 1 MET CA C 13 56.2800 0.05 . 1 . . . . . . . . 4911 1
4 . 1 1 1 1 MET HA H 1 4.4200 0.02 . 1 . . . . . . . . 4911 1
5 . 1 1 1 1 MET CB C 13 33.0600 0.05 . 1 . . . . . . . . 4911 1
6 . 1 1 1 1 MET HB2 H 1 1.9800 0.02 . 1 . . . . . . . . 4911 1
7 . 1 1 1 1 MET HB3 H 1 2.0400 0.02 . 1 . . . . . . . . 4911 1
8 . 1 1 1 1 MET CG C 13 32.5600 0.05 . 1 . . . . . . . . 4911 1
9 . 1 1 1 1 MET HG2 H 1 2.4600 0.02 . 1 . . . . . . . . 4911 1
10 . 1 1 1 1 MET HG3 H 1 2.5300 0.02 . 1 . . . . . . . . 4911 1
11 . 1 1 1 1 MET CE C 13 17.5300 0.05 . 1 . . . . . . . . 4911 1
12 . 1 1 1 1 MET HE1 H 1 2.0600 0.02 . 1 . . . . . . . . 4911 1
13 . 1 1 1 1 MET HE2 H 1 2.0600 0.02 . 1 . . . . . . . . 4911 1
14 . 1 1 1 1 MET HE3 H 1 2.0600 0.02 . 1 . . . . . . . . 4911 1
15 . 1 1 2 2 CYS N N 15 120.4000 0.05 . 1 . . . . . . . . 4911 1
16 . 1 1 2 2 CYS H H 1 8.4300 0.02 . 1 . . . . . . . . 4911 1
17 . 1 1 2 2 CYS CA C 13 58.9600 0.05 . 1 . . . . . . . . 4911 1
18 . 1 1 2 2 CYS HA H 1 4.4570 0.02 . 1 . . . . . . . . 4911 1
19 . 1 1 2 2 CYS CB C 13 28.2800 0.05 . 1 . . . . . . . . 4911 1
20 . 1 1 2 2 CYS HB2 H 1 2.9200 0.02 . 1 . . . . . . . . 4911 1
21 . 1 1 2 2 CYS HB3 H 1 2.9200 0.02 . 1 . . . . . . . . 4911 1
22 . 1 1 3 3 ASP N N 15 123.2500 0.05 . 1 . . . . . . . . 4911 1
23 . 1 1 3 3 ASP H H 1 8.3500 0.02 . 1 . . . . . . . . 4911 1
24 . 1 1 3 3 ASP CA C 13 55.0000 0.05 . 1 . . . . . . . . 4911 1
25 . 1 1 3 3 ASP HA H 1 4.5760 0.02 . 1 . . . . . . . . 4911 1
26 . 1 1 3 3 ASP CB C 13 41.5100 0.05 . 1 . . . . . . . . 4911 1
27 . 1 1 3 3 ASP HB2 H 1 2.6860 0.02 . 1 . . . . . . . . 4911 1
28 . 1 1 3 3 ASP HB3 H 1 2.6860 0.02 . 1 . . . . . . . . 4911 1
29 . 1 1 4 4 ARG N N 15 121.4900 0.05 . 1 . . . . . . . . 4911 1
30 . 1 1 4 4 ARG H H 1 8.220 0.02 . 1 . . . . . . . . 4911 1
31 . 1 1 4 4 ARG CA C 13 55.9200 0.05 . 1 . . . . . . . . 4911 1
32 . 1 1 4 4 ARG HA H 1 4.3170 0.02 . 1 . . . . . . . . 4911 1
33 . 1 1 4 4 ARG CB C 13 30.8000 0.05 . 1 . . . . . . . . 4911 1
34 . 1 1 4 4 ARG HB2 H 1 1.7300 0.02 . 1 . . . . . . . . 4911 1
35 . 1 1 4 4 ARG HB3 H 1 1.8490 0.02 . 1 . . . . . . . . 4911 1
36 . 1 1 4 4 ARG CG C 13 27.6600 0.05 . 1 . . . . . . . . 4911 1
37 . 1 1 4 4 ARG HG2 H 1 1.5860 0.02 . 1 . . . . . . . . 4911 1
38 . 1 1 4 4 ARG HG3 H 1 1.6390 0.02 . 1 . . . . . . . . 4911 1
39 . 1 1 4 4 ARG CD C 13 43.8500 0.05 . 1 . . . . . . . . 4911 1
40 . 1 1 4 4 ARG HD2 H 1 3.1220 0.02 . 1 . . . . . . . . 4911 1
41 . 1 1 5 5 LYS N N 15 121.9500 0.05 . 1 . . . . . . . . 4911 1
42 . 1 1 5 5 LYS H H 1 8.1200 0.02 . 1 . . . . . . . . 4911 1
43 . 1 1 5 5 LYS CA C 13 56.4200 0.05 . 1 . . . . . . . . 4911 1
44 . 1 1 5 5 LYS HA H 1 4.3380 0.02 . 1 . . . . . . . . 4911 1
45 . 1 1 5 5 LYS CB C 13 33.5600 0.05 . 1 . . . . . . . . 4911 1
46 . 1 1 5 5 LYS HB2 H 1 1.7850 0.02 . 1 . . . . . . . . 4911 1
47 . 1 1 5 5 LYS HB3 H 1 1.7850 0.02 . 1 . . . . . . . . 4911 1
48 . 1 1 5 5 LYS CG C 13 25.1100 0.05 . 1 . . . . . . . . 4911 1
49 . 1 1 5 5 LYS HG2 H 1 1.4000 0.02 . 1 . . . . . . . . 4911 1
50 . 1 1 5 5 LYS HG3 H 1 1.4000 0.02 . 1 . . . . . . . . 4911 1
51 . 1 1 5 5 LYS CD C 13 29.5600 0.05 . 1 . . . . . . . . 4911 1
52 . 1 1 5 5 LYS HD2 H 1 1.6750 0.02 . 1 . . . . . . . . 4911 1
53 . 1 1 5 5 LYS HD3 H 1 1.6750 0.02 . 1 . . . . . . . . 4911 1
54 . 1 1 5 5 LYS CE C 13 42.6900 0.05 . 1 . . . . . . . . 4911 1
55 . 1 1 5 5 LYS HE2 H 1 2.9840 0.02 . 1 . . . . . . . . 4911 1
56 . 1 1 5 5 LYS HE3 H 1 2.9840 0.02 . 1 . . . . . . . . 4911 1
57 . 1 1 6 6 ALA N N 15 127.0500 0.05 . 1 . . . . . . . . 4911 1
58 . 1 1 6 6 ALA H H 1 8.5500 0.02 . 1 . . . . . . . . 4911 1
59 . 1 1 6 6 ALA CA C 13 51.9500 0.05 . 1 . . . . . . . . 4911 1
60 . 1 1 6 6 ALA HA H 1 5.1110 0.02 . 1 . . . . . . . . 4911 1
61 . 1 1 6 6 ALA CB C 13 21.5400 0.05 . 1 . . . . . . . . 4911 1
62 . 1 1 6 6 ALA HB1 H 1 1.3230 0.02 . 1 . . . . . . . . 4911 1
63 . 1 1 6 6 ALA HB2 H 1 1.3230 0.02 . 1 . . . . . . . . 4911 1
64 . 1 1 6 6 ALA HB3 H 1 1.3230 0.02 . 1 . . . . . . . . 4911 1
65 . 1 1 7 7 VAL N N 15 122.6400 0.05 . 1 . . . . . . . . 4911 1
66 . 1 1 7 7 VAL H H 1 8.7130 0.02 . 1 . . . . . . . . 4911 1
67 . 1 1 7 7 VAL CA C 13 62.0100 0.05 . 1 . . . . . . . . 4911 1
68 . 1 1 7 7 VAL HA H 1 4.1900 0.02 . 1 . . . . . . . . 4911 1
69 . 1 1 7 7 VAL CB C 13 34.5500 0.05 . 1 . . . . . . . . 4911 1
70 . 1 1 7 7 VAL HB H 1 1.9400 0.02 . 1 . . . . . . . . 4911 1
71 . 1 1 7 7 VAL CG1 C 13 21.3600 0.05 . 1 . . . . . . . . 4911 1
72 . 1 1 7 7 VAL HG11 H 1 0.7360 0.02 . 1 . . . . . . . . 4911 1
73 . 1 1 7 7 VAL HG12 H 1 0.7360 0.02 . 1 . . . . . . . . 4911 1
74 . 1 1 7 7 VAL HG13 H 1 0.7360 0.02 . 1 . . . . . . . . 4911 1
75 . 1 1 7 7 VAL CG2 C 13 20.8200 0.05 . 1 . . . . . . . . 4911 1
76 . 1 1 7 7 VAL HG21 H 1 0.9600 0.02 . 1 . . . . . . . . 4911 1
77 . 1 1 7 7 VAL HG22 H 1 0.9600 0.02 . 1 . . . . . . . . 4911 1
78 . 1 1 7 7 VAL HG23 H 1 0.9600 0.02 . 1 . . . . . . . . 4911 1
79 . 1 1 8 8 ILE N N 15 129.0700 0.05 . 1 . . . . . . . . 4911 1
80 . 1 1 8 8 ILE H H 1 9.1100 0.02 . 1 . . . . . . . . 4911 1
81 . 1 1 8 8 ILE CA C 13 62.3800 0.05 . 1 . . . . . . . . 4911 1
82 . 1 1 8 8 ILE HA H 1 3.8600 0.02 . 1 . . . . . . . . 4911 1
83 . 1 1 8 8 ILE CB C 13 36.2400 0.05 . 1 . . . . . . . . 4911 1
84 . 1 1 8 8 ILE HB H 1 1.9300 0.02 . 1 . . . . . . . . 4911 1
85 . 1 1 8 8 ILE CG1 C 13 28.0700 0.05 . 1 . . . . . . . . 4911 1
86 . 1 1 8 8 ILE HG12 H 1 1.0000 0.02 . 1 . . . . . . . . 4911 1
87 . 1 1 8 8 ILE HG13 H 1 1.4000 0.02 . 1 . . . . . . . . 4911 1
88 . 1 1 8 8 ILE CG2 C 13 18.5800 0.05 . 1 . . . . . . . . 4911 1
89 . 1 1 8 8 ILE HG21 H 1 0.7500 0.02 . 1 . . . . . . . . 4911 1
90 . 1 1 8 8 ILE HG22 H 1 0.7500 0.02 . 1 . . . . . . . . 4911 1
91 . 1 1 8 8 ILE HG23 H 1 0.7500 0.02 . 1 . . . . . . . . 4911 1
92 . 1 1 8 8 ILE CD1 C 13 11.8800 0.05 . 1 . . . . . . . . 4911 1
93 . 1 1 8 8 ILE HD11 H 1 0.5800 0.02 . 1 . . . . . . . . 4911 1
94 . 1 1 8 8 ILE HD12 H 1 0.5800 0.02 . 1 . . . . . . . . 4911 1
95 . 1 1 8 8 ILE HD13 H 1 0.5800 0.02 . 1 . . . . . . . . 4911 1
96 . 1 1 9 9 LYS N N 15 129.6600 0.05 . 1 . . . . . . . . 4911 1
97 . 1 1 9 9 LYS H H 1 8.0100 0.02 . 1 . . . . . . . . 4911 1
98 . 1 1 9 9 LYS CA C 13 56.4200 0.05 . 1 . . . . . . . . 4911 1
99 . 1 1 9 9 LYS HA H 1 4.2300 0.02 . 1 . . . . . . . . 4911 1
100 . 1 1 9 9 LYS CB C 13 32.5600 0.05 . 1 . . . . . . . . 4911 1
101 . 1 1 9 9 LYS HB2 H 1 1.1700 0.02 . 1 . . . . . . . . 4911 1
102 . 1 1 9 9 LYS HB3 H 1 1.4400 0.02 . 1 . . . . . . . . 4911 1
103 . 1 1 9 9 LYS CG C 13 24.3700 0.05 . 1 . . . . . . . . 4911 1
104 . 1 1 9 9 LYS HG2 H 1 0.5530 0.02 . 1 . . . . . . . . 4911 1
105 . 1 1 9 9 LYS HG3 H 1 0.8760 0.02 . 1 . . . . . . . . 4911 1
106 . 1 1 9 9 LYS CD C 13 28.0800 0.05 . 1 . . . . . . . . 4911 1
107 . 1 1 9 9 LYS HD2 H 1 0.9570 0.02 . 1 . . . . . . . . 4911 1
108 . 1 1 9 9 LYS HD3 H 1 1.1000 0.02 . 1 . . . . . . . . 4911 1
109 . 1 1 9 9 LYS HE2 H 1 2.7800 0.02 . 1 . . . . . . . . 4911 1
110 . 1 1 9 9 LYS HE3 H 1 2.7800 0.02 . 1 . . . . . . . . 4911 1
111 . 1 1 10 10 ASN N N 15 116.2900 0.05 . 1 . . . . . . . . 4911 1
112 . 1 1 10 10 ASN H H 1 8.0100 0.02 . 1 . . . . . . . . 4911 1
113 . 1 1 10 10 ASN CA C 13 54.4600 0.05 . 1 . . . . . . . . 4911 1
114 . 1 1 10 10 ASN HA H 1 4.8350 0.02 . 1 . . . . . . . . 4911 1
115 . 1 1 10 10 ASN CB C 13 42.0000 0.05 . 1 . . . . . . . . 4911 1
116 . 1 1 10 10 ASN HB2 H 1 3.0100 0.02 . 1 . . . . . . . . 4911 1
117 . 1 1 10 10 ASN HB3 H 1 3.0100 0.02 . 1 . . . . . . . . 4911 1
118 . 1 1 10 10 ASN ND2 N 15 110.1200 0.05 . 1 . . . . . . . . 4911 1
119 . 1 1 10 10 ASN HD21 H 1 6.7700 0.02 . 1 . . . . . . . . 4911 1
120 . 1 1 10 10 ASN HD22 H 1 7.4400 0.02 . 1 . . . . . . . . 4911 1
121 . 1 1 11 11 ALA N N 15 125.9000 0.05 . 1 . . . . . . . . 4911 1
122 . 1 1 11 11 ALA H H 1 8.7900 0.02 . 1 . . . . . . . . 4911 1
123 . 1 1 11 11 ALA CA C 13 52.2300 0.05 . 1 . . . . . . . . 4911 1
124 . 1 1 11 11 ALA HA H 1 4.8700 0.02 . 1 . . . . . . . . 4911 1
125 . 1 1 11 11 ALA CB C 13 22.6200 0.05 . 1 . . . . . . . . 4911 1
126 . 1 1 11 11 ALA HB1 H 1 1.3100 0.02 . 1 . . . . . . . . 4911 1
127 . 1 1 11 11 ALA HB2 H 1 1.3100 0.02 . 1 . . . . . . . . 4911 1
128 . 1 1 11 11 ALA HB3 H 1 1.3100 0.02 . 1 . . . . . . . . 4911 1
129 . 1 1 12 12 ASP N N 15 123.9700 0.05 . 1 . . . . . . . . 4911 1
130 . 1 1 12 12 ASP H H 1 8.9000 0.02 . 1 . . . . . . . . 4911 1
131 . 1 1 12 12 ASP CA C 13 53.9300 0.05 . 1 . . . . . . . . 4911 1
132 . 1 1 12 12 ASP HA H 1 4.8700 0.02 . 1 . . . . . . . . 4911 1
133 . 1 1 12 12 ASP CB C 13 41.0900 0.05 . 1 . . . . . . . . 4911 1
134 . 1 1 12 12 ASP HB2 H 1 2.7300 0.02 . 1 . . . . . . . . 4911 1
135 . 1 1 12 12 ASP HB3 H 1 2.8000 0.02 . 1 . . . . . . . . 4911 1
136 . 1 1 13 13 MET N N 15 119.7600 0.05 . 1 . . . . . . . . 4911 1
137 . 1 1 13 13 MET H H 1 7.7590 0.02 . 1 . . . . . . . . 4911 1
138 . 1 1 13 13 MET CA C 13 56.4200 0.05 . 1 . . . . . . . . 4911 1
139 . 1 1 13 13 MET HA H 1 4.5400 0.02 . 1 . . . . . . . . 4911 1
140 . 1 1 13 13 MET CB C 13 38.9800 0.05 . 1 . . . . . . . . 4911 1
141 . 1 1 13 13 MET HB2 H 1 1.8370 0.02 . 1 . . . . . . . . 4911 1
142 . 1 1 13 13 MET HB3 H 1 2.0740 0.02 . 1 . . . . . . . . 4911 1
143 . 1 1 13 13 MET CG C 13 34.3500 0.05 . 1 . . . . . . . . 4911 1
144 . 1 1 13 13 MET HG3 H 1 2.8200 0.02 . 1 . . . . . . . . 4911 1
145 . 1 1 13 13 MET HG2 H 1 2.6000 0.02 . 1 . . . . . . . . 4911 1
146 . 1 1 13 13 MET CE C 13 18.0900 0.05 . 1 . . . . . . . . 4911 1
147 . 1 1 13 13 MET HE1 H 1 1.9800 0.02 . 1 . . . . . . . . 4911 1
148 . 1 1 13 13 MET HE2 H 1 1.9800 0.02 . 1 . . . . . . . . 4911 1
149 . 1 1 13 13 MET HE3 H 1 1.9800 0.02 . 1 . . . . . . . . 4911 1
150 . 1 1 14 14 SER N N 15 122.5000 0.05 . 1 . . . . . . . . 4911 1
151 . 1 1 14 14 SER H H 1 9.2680 0.02 . 1 . . . . . . . . 4911 1
152 . 1 1 14 14 SER CA C 13 58.9000 0.05 . 1 . . . . . . . . 4911 1
153 . 1 1 14 14 SER HA H 1 4.4200 0.02 . 1 . . . . . . . . 4911 1
154 . 1 1 14 14 SER CB C 13 64.8700 0.05 . 1 . . . . . . . . 4911 1
155 . 1 1 14 14 SER HB2 H 1 4.4200 0.02 . 1 . . . . . . . . 4911 1
156 . 1 1 14 14 SER HB3 H 1 4.1000 0.02 . 1 . . . . . . . . 4911 1
157 . 1 1 15 15 GLU N N 15 123.9800 0.05 . 1 . . . . . . . . 4911 1
158 . 1 1 15 15 GLU H H 1 9.2600 0.02 . 1 . . . . . . . . 4911 1
159 . 1 1 15 15 GLU CA C 13 60.8900 0.05 . 1 . . . . . . . . 4911 1
160 . 1 1 15 15 GLU HA H 1 3.7700 0.02 . 1 . . . . . . . . 4911 1
161 . 1 1 15 15 GLU CB C 13 29.5800 0.05 . 1 . . . . . . . . 4911 1
162 . 1 1 15 15 GLU HB2 H 1 2.0200 0.02 . 1 . . . . . . . . 4911 1
163 . 1 1 15 15 GLU HB3 H 1 2.0200 0.02 . 1 . . . . . . . . 4911 1
164 . 1 1 15 15 GLU CG C 13 37.0600 0.05 . 1 . . . . . . . . 4911 1
165 . 1 1 15 15 GLU HG2 H 1 2.3200 0.02 . 1 . . . . . . . . 4911 1
166 . 1 1 15 15 GLU HG3 H 1 2.3200 0.02 . 1 . . . . . . . . 4911 1
167 . 1 1 16 16 GLU N N 15 119.2300 0.05 . 1 . . . . . . . . 4911 1
168 . 1 1 16 16 GLU H H 1 9.1700 0.02 . 1 . . . . . . . . 4911 1
169 . 1 1 16 16 GLU CA C 13 60.8900 0.05 . 1 . . . . . . . . 4911 1
170 . 1 1 16 16 GLU HA H 1 4.0100 0.02 . 1 . . . . . . . . 4911 1
171 . 1 1 16 16 GLU CB C 13 29.0800 0.05 . 1 . . . . . . . . 4911 1
172 . 1 1 16 16 GLU HB2 H 1 2.0100 0.02 . 1 . . . . . . . . 4911 1
173 . 1 1 16 16 GLU HB3 H 1 2.0100 0.02 . 1 . . . . . . . . 4911 1
174 . 1 1 16 16 GLU CG C 13 37.1100 0.05 . 1 . . . . . . . . 4911 1
175 . 1 1 16 16 GLU HG2 H 1 2.3900 0.02 . 1 . . . . . . . . 4911 1
176 . 1 1 16 16 GLU HG3 H 1 2.3200 0.02 . 1 . . . . . . . . 4911 1
177 . 1 1 17 17 MET N N 15 120.8700 0.05 . 1 . . . . . . . . 4911 1
178 . 1 1 17 17 MET H H 1 7.6100 0.02 . 1 . . . . . . . . 4911 1
179 . 1 1 17 17 MET CA C 13 60.3900 0.05 . 1 . . . . . . . . 4911 1
180 . 1 1 17 17 MET HA H 1 3.9600 0.02 . 1 . . . . . . . . 4911 1
181 . 1 1 17 17 MET CB C 13 33.6600 0.05 . 1 . . . . . . . . 4911 1
182 . 1 1 17 17 MET HB2 H 1 2.0000 0.02 . 1 . . . . . . . . 4911 1
183 . 1 1 17 17 MET HB3 H 1 2.1300 0.02 . 1 . . . . . . . . 4911 1
184 . 1 1 17 17 MET CG C 13 33.7100 0.05 . 1 . . . . . . . . 4911 1
185 . 1 1 17 17 MET HG2 H 1 2.3500 0.02 . 1 . . . . . . . . 4911 1
186 . 1 1 17 17 MET HG3 H 1 2.3500 0.02 . 1 . . . . . . . . 4911 1
187 . 1 1 17 17 MET CE C 13 16.9700 0.05 . 1 . . . . . . . . 4911 1
188 . 1 1 17 17 MET HE1 H 1 1.6700 0.02 . 1 . . . . . . . . 4911 1
189 . 1 1 17 17 MET HE2 H 1 1.6700 0.02 . 1 . . . . . . . . 4911 1
190 . 1 1 17 17 MET HE3 H 1 1.6700 0.02 . 1 . . . . . . . . 4911 1
191 . 1 1 18 18 GLN N N 15 122.9800 0.05 . 1 . . . . . . . . 4911 1
192 . 1 1 18 18 GLN H H 1 8.5600 0.02 . 1 . . . . . . . . 4911 1
193 . 1 1 18 18 GLN CA C 13 60.3500 0.05 . 1 . . . . . . . . 4911 1
194 . 1 1 18 18 GLN HA H 1 3.7480 0.02 . 1 . . . . . . . . 4911 1
195 . 1 1 18 18 GLN CB C 13 29.0800 0.05 . 1 . . . . . . . . 4911 1
196 . 1 1 18 18 GLN HB3 H 1 2.0900 0.02 . 1 . . . . . . . . 4911 1
197 . 1 1 18 18 GLN HB2 H 1 1.8400 0.02 . 1 . . . . . . . . 4911 1
198 . 1 1 18 18 GLN CG C 13 34.7600 0.05 . 1 . . . . . . . . 4911 1
199 . 1 1 18 18 GLN HG2 H 1 2.3150 0.02 . 1 . . . . . . . . 4911 1
200 . 1 1 18 18 GLN HG3 H 1 2.3890 0.02 . 1 . . . . . . . . 4911 1
201 . 1 1 18 18 GLN NE2 N 15 111.4800 0.05 . 1 . . . . . . . . 4911 1
202 . 1 1 18 18 GLN HE21 H 1 6.7500 0.02 . 1 . . . . . . . . 4911 1
203 . 1 1 18 18 GLN HE22 H 1 7.0200 0.02 . 1 . . . . . . . . 4911 1
204 . 1 1 19 19 GLN N N 15 118.5900 0.05 . 1 . . . . . . . . 4911 1
205 . 1 1 19 19 GLN H H 1 7.9200 0.02 . 1 . . . . . . . . 4911 1
206 . 1 1 19 19 GLN CA C 13 59.4000 0.05 . 1 . . . . . . . . 4911 1
207 . 1 1 19 19 GLN HA H 1 3.8720 0.02 . 1 . . . . . . . . 4911 1
208 . 1 1 19 19 GLN CB C 13 28.0900 0.05 . 1 . . . . . . . . 4911 1
209 . 1 1 19 19 GLN HB2 H 1 2.1200 0.02 . 1 . . . . . . . . 4911 1
210 . 1 1 19 19 GLN HB3 H 1 2.1200 0.02 . 1 . . . . . . . . 4911 1
211 . 1 1 19 19 GLN CG C 13 34.0000 0.05 . 1 . . . . . . . . 4911 1
212 . 1 1 19 19 GLN HG2 H 1 2.4100 0.02 . 1 . . . . . . . . 4911 1
213 . 1 1 19 19 GLN HG3 H 1 2.4100 0.02 . 1 . . . . . . . . 4911 1
214 . 1 1 19 19 GLN NE2 N 15 113.0800 0.05 . 1 . . . . . . . . 4911 1
215 . 1 1 19 19 GLN HE21 H 1 6.8400 0.02 . 1 . . . . . . . . 4911 1
216 . 1 1 19 19 GLN HE22 H 1 7.5900 0.02 . 1 . . . . . . . . 4911 1
217 . 1 1 20 20 ASP N N 15 120.0500 0.05 . 1 . . . . . . . . 4911 1
218 . 1 1 20 20 ASP H H 1 7.9500 0.02 . 1 . . . . . . . . 4911 1
219 . 1 1 20 20 ASP CA C 13 57.9100 0.05 . 1 . . . . . . . . 4911 1
220 . 1 1 20 20 ASP HA H 1 4.6000 0.02 . 1 . . . . . . . . 4911 1
221 . 1 1 20 20 ASP CB C 13 41.0300 0.05 . 1 . . . . . . . . 4911 1
222 . 1 1 20 20 ASP HB2 H 1 2.7400 0.02 . 1 . . . . . . . . 4911 1
223 . 1 1 20 20 ASP HB3 H 1 2.8600 0.02 . 1 . . . . . . . . 4911 1
224 . 1 1 21 21 SER N N 15 118.9500 0.05 . 1 . . . . . . . . 4911 1
225 . 1 1 21 21 SER H H 1 8.5100 0.02 . 1 . . . . . . . . 4911 1
226 . 1 1 21 21 SER CA C 13 63.4100 0.05 . 1 . . . . . . . . 4911 1
227 . 1 1 21 21 SER HA H 1 3.9800 0.02 . 1 . . . . . . . . 4911 1
228 . 1 1 21 21 SER CB C 13 63.4100 0.05 . 1 . . . . . . . . 4911 1
229 . 1 1 21 21 SER HB2 H 1 3.8300 0.02 . 1 . . . . . . . . 4911 1
230 . 1 1 21 21 SER HB3 H 1 3.3900 0.02 . 1 . . . . . . . . 4911 1
231 . 1 1 22 22 VAL N N 15 121.9700 0.05 . 1 . . . . . . . . 4911 1
232 . 1 1 22 22 VAL H H 1 7.3000 0.02 . 1 . . . . . . . . 4911 1
233 . 1 1 22 22 VAL CA C 13 67.2300 0.05 . 1 . . . . . . . . 4911 1
234 . 1 1 22 22 VAL HA H 1 3.3900 0.02 . 1 . . . . . . . . 4911 1
235 . 1 1 22 22 VAL CB C 13 32.1900 0.05 . 1 . . . . . . . . 4911 1
236 . 1 1 22 22 VAL HB H 1 1.9500 0.02 . 1 . . . . . . . . 4911 1
237 . 1 1 22 22 VAL CG2 C 13 22.0700 0.05 . 1 . . . . . . . . 4911 1
238 . 1 1 22 22 VAL HG21 H 1 0.7800 0.02 . 1 . . . . . . . . 4911 1
239 . 1 1 22 22 VAL HG22 H 1 0.7800 0.02 . 1 . . . . . . . . 4911 1
240 . 1 1 22 22 VAL HG23 H 1 0.7800 0.02 . 1 . . . . . . . . 4911 1
241 . 1 1 22 22 VAL CG1 C 13 21.7100 0.05 . 1 . . . . . . . . 4911 1
242 . 1 1 22 22 VAL HG11 H 1 0.3300 0.02 . 1 . . . . . . . . 4911 1
243 . 1 1 22 22 VAL HG12 H 1 0.3300 0.02 . 1 . . . . . . . . 4911 1
244 . 1 1 22 22 VAL HG13 H 1 0.3300 0.02 . 1 . . . . . . . . 4911 1
245 . 1 1 23 23 GLU N N 15 124.3000 0.05 . 1 . . . . . . . . 4911 1
246 . 1 1 23 23 GLU H H 1 8.524 0.02 . 1 . . . . . . . . 4911 1
247 . 1 1 23 23 GLU CA C 13 60.4100 0.05 . 1 . . . . . . . . 4911 1
248 . 1 1 23 23 GLU HA H 1 4.0600 0.02 . 1 . . . . . . . . 4911 1
249 . 1 1 23 23 GLU CB C 13 29.5800 0.05 . 1 . . . . . . . . 4911 1
250 . 1 1 23 23 GLU HB2 H 1 2.1700 0.02 . 1 . . . . . . . . 4911 1
251 . 1 1 23 23 GLU HB3 H 1 2.1700 0.02 . 1 . . . . . . . . 4911 1
252 . 1 1 23 23 GLU CG C 13 36.4800 0.05 . 1 . . . . . . . . 4911 1
253 . 1 1 23 23 GLU HG2 H 1 2.3370 0.02 . 1 . . . . . . . . 4911 1
254 . 1 1 23 23 GLU HG3 H 1 2.3370 0.02 . 1 . . . . . . . . 4911 1
255 . 1 1 24 24 CYS N N 15 120.2000 0.05 . 1 . . . . . . . . 4911 1
256 . 1 1 24 24 CYS H H 1 8.9000 0.02 . 1 . . . . . . . . 4911 1
257 . 1 1 24 24 CYS CA C 13 63.3200 0.05 . 1 . . . . . . . . 4911 1
258 . 1 1 24 24 CYS HA H 1 4.2700 0.02 . 1 . . . . . . . . 4911 1
259 . 1 1 24 24 CYS CB C 13 27.5900 0.05 . 1 . . . . . . . . 4911 1
260 . 1 1 24 24 CYS HB3 H 1 3.3560 0.02 . 1 . . . . . . . . 4911 1
261 . 1 1 24 24 CYS HB2 H 1 2.7960 0.02 . 1 . . . . . . . . 4911 1
262 . 1 1 25 25 ALA N N 15 120.8400 0.05 . 1 . . . . . . . . 4911 1
263 . 1 1 25 25 ALA H H 1 8.3300 0.02 . 1 . . . . . . . . 4911 1
264 . 1 1 25 25 ALA CA C 13 55.4200 0.05 . 1 . . . . . . . . 4911 1
265 . 1 1 25 25 ALA HA H 1 4.0000 0.02 . 1 . . . . . . . . 4911 1
266 . 1 1 25 25 ALA CB C 13 20.3600 0.05 . 1 . . . . . . . . 4911 1
267 . 1 1 25 25 ALA HB1 H 1 1.6000 0.02 . 1 . . . . . . . . 4911 1
268 . 1 1 25 25 ALA HB2 H 1 1.6000 0.02 . 1 . . . . . . . . 4911 1
269 . 1 1 25 25 ALA HB3 H 1 1.6000 0.02 . 1 . . . . . . . . 4911 1
270 . 1 1 26 26 THR N N 15 115.9300 0.05 . 1 . . . . . . . . 4911 1
271 . 1 1 26 26 THR H H 1 8.38 0.02 . 1 . . . . . . . . 4911 1
272 . 1 1 26 26 THR CA C 13 68.3300 0.05 . 1 . . . . . . . . 4911 1
273 . 1 1 26 26 THR HA H 1 3.7500 0.02 . 1 . . . . . . . . 4911 1
274 . 1 1 26 26 THR CB C 13 69.1600 0.05 . 1 . . . . . . . . 4911 1
275 . 1 1 26 26 THR HB H 1 4.4750 0.02 . 1 . . . . . . . . 4911 1
276 . 1 1 26 26 THR CG2 C 13 21.4300 0.05 . 1 . . . . . . . . 4911 1
277 . 1 1 26 26 THR HG21 H 1 1.2300 0.02 . 1 . . . . . . . . 4911 1
278 . 1 1 26 26 THR HG22 H 1 1.2300 0.02 . 1 . . . . . . . . 4911 1
279 . 1 1 26 26 THR HG23 H 1 1.2300 0.02 . 1 . . . . . . . . 4911 1
280 . 1 1 27 27 GLN N N 15 120.6500 0.05 . 1 . . . . . . . . 4911 1
281 . 1 1 27 27 GLN H H 1 7.7900 0.02 . 1 . . . . . . . . 4911 1
282 . 1 1 27 27 GLN CA C 13 59.0400 0.05 . 1 . . . . . . . . 4911 1
283 . 1 1 27 27 GLN HA H 1 3.9600 0.02 . 1 . . . . . . . . 4911 1
284 . 1 1 27 27 GLN CB C 13 28.6000 0.05 . 1 . . . . . . . . 4911 1
285 . 1 1 27 27 GLN HB2 H 1 2.0400 0.02 . 1 . . . . . . . . 4911 1
286 . 1 1 27 27 GLN HB3 H 1 2.3100 0.02 . 1 . . . . . . . . 4911 1
287 . 1 1 27 27 GLN CG C 13 34.4300 0.05 . 1 . . . . . . . . 4911 1
288 . 1 1 27 27 GLN HG2 H 1 2.3500 0.02 . 1 . . . . . . . . 4911 1
289 . 1 1 27 27 GLN HG3 H 1 2.5600 0.02 . 1 . . . . . . . . 4911 1
290 . 1 1 27 27 GLN NE2 N 15 113.2700 0.05 . 1 . . . . . . . . 4911 1
291 . 1 1 27 27 GLN HE21 H 1 6.8600 0.02 . 1 . . . . . . . . 4911 1
292 . 1 1 27 27 GLN HE22 H 1 7.7000 0.02 . 1 . . . . . . . . 4911 1
293 . 1 1 28 28 ALA N N 15 122.1500 0.05 . 1 . . . . . . . . 4911 1
294 . 1 1 28 28 ALA H H 1 8.2200 0.02 . 1 . . . . . . . . 4911 1
295 . 1 1 28 28 ALA CA C 13 55.6800 0.05 . 1 . . . . . . . . 4911 1
296 . 1 1 28 28 ALA HA H 1 3.5200 0.02 . 1 . . . . . . . . 4911 1
297 . 1 1 28 28 ALA CB C 13 20.6200 0.05 . 1 . . . . . . . . 4911 1
298 . 1 1 28 28 ALA HB1 H 1 1.7100 0.02 . 1 . . . . . . . . 4911 1
299 . 1 1 28 28 ALA HB2 H 1 1.7100 0.02 . 1 . . . . . . . . 4911 1
300 . 1 1 28 28 ALA HB3 H 1 1.7100 0.02 . 1 . . . . . . . . 4911 1
301 . 1 1 29 29 LEU N N 15 117.5700 0.05 . 1 . . . . . . . . 4911 1
302 . 1 1 29 29 LEU H H 1 8.2600 0.02 . 1 . . . . . . . . 4911 1
303 . 1 1 29 29 LEU CA C 13 57.7200 0.05 . 1 . . . . . . . . 4911 1
304 . 1 1 29 29 LEU HA H 1 4.2200 0.02 . 1 . . . . . . . . 4911 1
305 . 1 1 29 29 LEU CB C 13 42.5200 0.05 . 1 . . . . . . . . 4911 1
306 . 1 1 29 29 LEU HB3 H 1 1.8200 0.02 . 1 . . . . . . . . 4911 1
307 . 1 1 29 29 LEU HB2 H 1 1.6200 0.02 . 1 . . . . . . . . 4911 1
308 . 1 1 29 29 LEU CG C 13 29.2100 0.05 . 1 . . . . . . . . 4911 1
309 . 1 1 29 29 LEU HG H 1 1.8300 0.02 . 1 . . . . . . . . 4911 1
310 . 1 1 29 29 LEU CD1 C 13 26.0100 0.05 . 1 . . . . . . . . 4911 1
311 . 1 1 29 29 LEU HD11 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1
312 . 1 1 29 29 LEU HD12 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1
313 . 1 1 29 29 LEU HD13 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1
314 . 1 1 29 29 LEU CD2 C 13 25.1400 0.05 . 1 . . . . . . . . 4911 1
315 . 1 1 29 29 LEU HD21 H 1 0.8800 0.02 . 1 . . . . . . . . 4911 1
316 . 1 1 29 29 LEU HD22 H 1 0.8800 0.02 . 1 . . . . . . . . 4911 1
317 . 1 1 29 29 LEU HD23 H 1 0.8800 0.02 . 1 . . . . . . . . 4911 1
318 . 1 1 30 30 GLU N N 15 116.6000 0.05 . 1 . . . . . . . . 4911 1
319 . 1 1 30 30 GLU H H 1 7.3300 0.02 . 1 . . . . . . . . 4911 1
320 . 1 1 30 30 GLU CA C 13 58.3000 0.05 . 1 . . . . . . . . 4911 1
321 . 1 1 30 30 GLU HA H 1 4.0550 0.02 . 1 . . . . . . . . 4911 1
322 . 1 1 30 30 GLU CB C 13 30.2900 0.05 . 1 . . . . . . . . 4911 1
323 . 1 1 30 30 GLU HB2 H 1 2.0150 0.02 . 1 . . . . . . . . 4911 1
324 . 1 1 30 30 GLU HB3 H 1 2.0150 0.02 . 1 . . . . . . . . 4911 1
325 . 1 1 30 30 GLU CG C 13 36.8300 0.05 . 1 . . . . . . . . 4911 1
326 . 1 1 30 30 GLU HG2 H 1 2.1970 0.02 . 1 . . . . . . . . 4911 1
327 . 1 1 30 30 GLU HG3 H 1 2.3900 0.02 . 1 . . . . . . . . 4911 1
328 . 1 1 31 31 LYS N N 15 117.7000 0.05 . 1 . . . . . . . . 4911 1
329 . 1 1 31 31 LYS H H 1 7.1500 0.02 . 1 . . . . . . . . 4911 1
330 . 1 1 31 31 LYS CA C 13 58.1000 0.05 . 1 . . . . . . . . 4911 1
331 . 1 1 31 31 LYS HA H 1 3.9000 0.02 . 1 . . . . . . . . 4911 1
332 . 1 1 31 31 LYS CB C 13 35.5300 0.05 . 1 . . . . . . . . 4911 1
333 . 1 1 31 31 LYS HB3 H 1 1.0500 0.02 . 1 . . . . . . . . 4911 1
334 . 1 1 31 31 LYS HB2 H 1 0.7800 0.02 . 1 . . . . . . . . 4911 1
335 . 1 1 31 31 LYS CG C 13 25.0600 0.05 . 1 . . . . . . . . 4911 1
336 . 1 1 31 31 LYS HG3 H 1 1.0400 0.02 . 1 . . . . . . . . 4911 1
337 . 1 1 31 31 LYS HG2 H 1 0.7200 0.02 . 1 . . . . . . . . 4911 1
338 . 1 1 31 31 LYS CD C 13 29.6300 0.05 . 1 . . . . . . . . 4911 1
339 . 1 1 31 31 LYS HD2 H 1 1.2100 0.02 . 1 . . . . . . . . 4911 1
340 . 1 1 31 31 LYS CE C 13 42.3600 0.05 . 1 . . . . . . . . 4911 1
341 . 1 1 31 31 LYS HE2 H 1 2.7800 0.02 . 1 . . . . . . . . 4911 1
342 . 1 1 32 32 TYR N N 15 117.5900 0.05 . 1 . . . . . . . . 4911 1
343 . 1 1 32 32 TYR H H 1 8.1400 0.02 . 1 . . . . . . . . 4911 1
344 . 1 1 32 32 TYR CA C 13 57.4100 0.05 . 1 . . . . . . . . 4911 1
345 . 1 1 32 32 TYR HA H 1 4.8900 0.02 . 1 . . . . . . . . 4911 1
346 . 1 1 32 32 TYR CB C 13 42.4000 0.05 . 1 . . . . . . . . 4911 1
347 . 1 1 32 32 TYR HB2 H 1 2.5800 0.02 . 1 . . . . . . . . 4911 1
348 . 1 1 32 32 TYR HB3 H 1 3.2100 0.02 . 1 . . . . . . . . 4911 1
349 . 1 1 32 32 TYR HD1 H 1 6.72 0.02 . 1 . . . . . . . . 4911 1
350 . 1 1 32 32 TYR HD2 H 1 6.72 0.02 . 1 . . . . . . . . 4911 1
351 . 1 1 32 32 TYR HE1 H 1 7.12 0.02 . 1 . . . . . . . . 4911 1
352 . 1 1 32 32 TYR HE2 H 1 7.12 0.02 . 1 . . . . . . . . 4911 1
353 . 1 1 33 33 ASN N N 15 114.5500 0.05 . 1 . . . . . . . . 4911 1
354 . 1 1 33 33 ASN H H 1 8.3600 0.02 . 1 . . . . . . . . 4911 1
355 . 1 1 33 33 ASN CA C 13 53.4400 0.05 . 1 . . . . . . . . 4911 1
356 . 1 1 33 33 ASN HA H 1 4.8700 0.02 . 1 . . . . . . . . 4911 1
357 . 1 1 33 33 ASN CB C 13 41.0100 0.05 . 1 . . . . . . . . 4911 1
358 . 1 1 33 33 ASN HB2 H 1 2.7300 0.02 . 1 . . . . . . . . 4911 1
359 . 1 1 33 33 ASN HB3 H 1 2.8000 0.02 . 1 . . . . . . . . 4911 1
360 . 1 1 33 33 ASN ND2 N 15 113.3100 0.05 . 1 . . . . . . . . 4911 1
361 . 1 1 33 33 ASN HD21 H 1 6.8100 0.02 . 1 . . . . . . . . 4911 1
362 . 1 1 33 33 ASN HD22 H 1 7.5300 0.02 . 1 . . . . . . . . 4911 1
363 . 1 1 34 34 ILE N N 15 121.5100 0.05 . 1 . . . . . . . . 4911 1
364 . 1 1 34 34 ILE H H 1 7.8800 0.02 . 1 . . . . . . . . 4911 1
365 . 1 1 34 34 ILE CA C 13 60.8900 0.05 . 1 . . . . . . . . 4911 1
366 . 1 1 34 34 ILE HA H 1 4.2000 0.02 . 1 . . . . . . . . 4911 1
367 . 1 1 34 34 ILE CB C 13 39.0900 0.05 . 1 . . . . . . . . 4911 1
368 . 1 1 34 34 ILE HB H 1 2.0400 0.02 . 1 . . . . . . . . 4911 1
369 . 1 1 34 34 ILE CG1 C 13 21.4200 0.05 . 1 . . . . . . . . 4911 1
370 . 1 1 34 34 ILE HG12 H 1 1.2830 0.02 . 1 . . . . . . . . 4911 1
371 . 1 1 34 34 ILE HG13 H 1 1.5840 0.02 . 1 . . . . . . . . 4911 1
372 . 1 1 34 34 ILE CG2 C 13 17.9900 0.05 . 1 . . . . . . . . 4911 1
373 . 1 1 34 34 ILE HG21 H 1 0.9400 0.02 . 1 . . . . . . . . 4911 1
374 . 1 1 34 34 ILE HG22 H 1 0.9400 0.02 . 1 . . . . . . . . 4911 1
375 . 1 1 34 34 ILE HG23 H 1 0.9400 0.02 . 1 . . . . . . . . 4911 1
376 . 1 1 34 34 ILE CD1 C 13 12.4700 0.05 . 1 . . . . . . . . 4911 1
377 . 1 1 34 34 ILE HD11 H 1 0.8800 0.02 . 1 . . . . . . . . 4911 1
378 . 1 1 34 34 ILE HD12 H 1 0.8800 0.02 . 1 . . . . . . . . 4911 1
379 . 1 1 34 34 ILE HD13 H 1 0.8800 0.02 . 1 . . . . . . . . 4911 1
380 . 1 1 35 35 GLU N N 15 131.4700 0.05 . 1 . . . . . . . . 4911 1
381 . 1 1 35 35 GLU H H 1 10.4900 0.02 . 1 . . . . . . . . 4911 1
382 . 1 1 35 35 GLU CA C 13 63.9300 0.05 . 1 . . . . . . . . 4911 1
383 . 1 1 35 35 GLU HA H 1 3.6800 0.02 . 1 . . . . . . . . 4911 1
384 . 1 1 35 35 GLU CB C 13 28.5900 0.05 . 1 . . . . . . . . 4911 1
385 . 1 1 35 35 GLU HB2 H 1 1.8700 0.02 . 1 . . . . . . . . 4911 1
386 . 1 1 35 35 GLU HB3 H 1 2.1000 0.02 . 1 . . . . . . . . 4911 1
387 . 1 1 35 35 GLU CG C 13 36.6000 0.05 . 1 . . . . . . . . 4911 1
388 . 1 1 35 35 GLU HG2 H 1 2.6200 0.02 . 1 . . . . . . . . 4911 1
389 . 1 1 35 35 GLU HG3 H 1 2.6800 0.02 . 1 . . . . . . . . 4911 1
390 . 1 1 36 36 LYS N N 15 118.1300 0.05 . 1 . . . . . . . . 4911 1
391 . 1 1 36 36 LYS H H 1 8.9000 0.02 . 1 . . . . . . . . 4911 1
392 . 1 1 36 36 LYS CA C 13 60.3900 0.05 . 1 . . . . . . . . 4911 1
393 . 1 1 36 36 LYS HA H 1 3.8100 0.02 . 1 . . . . . . . . 4911 1
394 . 1 1 36 36 LYS CB C 13 32.1000 0.05 . 1 . . . . . . . . 4911 1
395 . 1 1 36 36 LYS HB3 H 1 2.1100 0.02 . 1 . . . . . . . . 4911 1
396 . 1 1 36 36 LYS HB2 H 1 1.6900 0.02 . 1 . . . . . . . . 4911 1
397 . 1 1 36 36 LYS CG C 13 25.5100 0.05 . 1 . . . . . . . . 4911 1
398 . 1 1 36 36 LYS HG2 H 1 1.3700 0.02 . 1 . . . . . . . . 4911 1
399 . 1 1 36 36 LYS HG3 H 1 1.4500 0.02 . 1 . . . . . . . . 4911 1
400 . 1 1 36 36 LYS CD C 13 29.9200 0.05 . 1 . . . . . . . . 4911 1
401 . 1 1 36 36 LYS HD2 H 1 1.4500 0.02 . 1 . . . . . . . . 4911 1
402 . 1 1 36 36 LYS HE2 H 1 2.8100 0.02 . 1 . . . . . . . . 4911 1
403 . 1 1 36 36 LYS HE3 H 1 2.9200 0.02 . 1 . . . . . . . . 4911 1
404 . 1 1 37 37 ASP N N 15 119.8400 0.05 . 1 . . . . . . . . 4911 1
405 . 1 1 37 37 ASP H H 1 6.9600 0.02 . 1 . . . . . . . . 4911 1
406 . 1 1 37 37 ASP CA C 13 56.8700 0.05 . 1 . . . . . . . . 4911 1
407 . 1 1 37 37 ASP HA H 1 4.1100 0.02 . 1 . . . . . . . . 4911 1
408 . 1 1 37 37 ASP CB C 13 40.0200 0.05 . 1 . . . . . . . . 4911 1
409 . 1 1 37 37 ASP HB3 H 1 2.5870 0.02 . 1 . . . . . . . . 4911 1
410 . 1 1 37 37 ASP HB2 H 1 1.8690 0.02 . 1 . . . . . . . . 4911 1
411 . 1 1 38 38 ILE N N 15 123.5400 0.05 . 1 . . . . . . . . 4911 1
412 . 1 1 38 38 ILE H H 1 7.6500 0.02 . 1 . . . . . . . . 4911 1
413 . 1 1 38 38 ILE CA C 13 66.0300 0.05 . 1 . . . . . . . . 4911 1
414 . 1 1 38 38 ILE HA H 1 3.4300 0.02 . 1 . . . . . . . . 4911 1
415 . 1 1 38 38 ILE CB C 13 39.0200 0.05 . 1 . . . . . . . . 4911 1
416 . 1 1 38 38 ILE HB H 1 1.9000 0.02 . 1 . . . . . . . . 4911 1
417 . 1 1 38 38 ILE CG1 C 13 30.7500 0.05 . 1 . . . . . . . . 4911 1
418 . 1 1 38 38 ILE HG13 H 1 1.6200 0.02 . 1 . . . . . . . . 4911 1
419 . 1 1 38 38 ILE HG12 H 1 1.5900 0.02 . 1 . . . . . . . . 4911 1
420 . 1 1 38 38 ILE CG2 C 13 18.3600 0.05 . 1 . . . . . . . . 4911 1
421 . 1 1 38 38 ILE HG21 H 1 0.8600 0.02 . 1 . . . . . . . . 4911 1
422 . 1 1 38 38 ILE HG22 H 1 0.8600 0.02 . 1 . . . . . . . . 4911 1
423 . 1 1 38 38 ILE HG23 H 1 0.8600 0.02 . 1 . . . . . . . . 4911 1
424 . 1 1 38 38 ILE CD1 C 13 14.3900 0.05 . 1 . . . . . . . . 4911 1
425 . 1 1 38 38 ILE HD11 H 1 0.6800 0.02 . 1 . . . . . . . . 4911 1
426 . 1 1 38 38 ILE HD12 H 1 0.6800 0.02 . 1 . . . . . . . . 4911 1
427 . 1 1 38 38 ILE HD13 H 1 0.6800 0.02 . 1 . . . . . . . . 4911 1
428 . 1 1 39 39 ALA N N 15 119.9500 0.05 . 1 . . . . . . . . 4911 1
429 . 1 1 39 39 ALA H H 1 8.3700 0.02 . 1 . . . . . . . . 4911 1
430 . 1 1 39 39 ALA CA C 13 55.1200 0.05 . 1 . . . . . . . . 4911 1
431 . 1 1 39 39 ALA HA H 1 3.9400 0.02 . 1 . . . . . . . . 4911 1
432 . 1 1 39 39 ALA CB C 13 18.2400 0.05 . 1 . . . . . . . . 4911 1
433 . 1 1 39 39 ALA HB1 H 1 1.3300 0.02 . 1 . . . . . . . . 4911 1
434 . 1 1 39 39 ALA HB2 H 1 1.3300 0.02 . 1 . . . . . . . . 4911 1
435 . 1 1 39 39 ALA HB3 H 1 1.3300 0.02 . 1 . . . . . . . . 4911 1
436 . 1 1 40 40 ALA N N 15 119.8400 0.05 . 1 . . . . . . . . 4911 1
437 . 1 1 40 40 ALA H H 1 7.8550 0.02 . 1 . . . . . . . . 4911 1
438 . 1 1 40 40 ALA CA C 13 55.5700 0.05 . 1 . . . . . . . . 4911 1
439 . 1 1 40 40 ALA HA H 1 3.2800 0.02 . 1 . . . . . . . . 4911 1
440 . 1 1 40 40 ALA CB C 13 18.6500 0.05 . 1 . . . . . . . . 4911 1
441 . 1 1 40 40 ALA HB1 H 1 0.6300 0.02 . 1 . . . . . . . . 4911 1
442 . 1 1 40 40 ALA HB2 H 1 0.6300 0.02 . 1 . . . . . . . . 4911 1
443 . 1 1 40 40 ALA HB3 H 1 0.6300 0.02 . 1 . . . . . . . . 4911 1
444 . 1 1 41 41 HIS N N 15 116.7400 0.05 . 1 . . . . . . . . 4911 1
445 . 1 1 41 41 HIS H H 1 7.4000 0.02 . 1 . . . . . . . . 4911 1
446 . 1 1 41 41 HIS CA C 13 61.3900 0.05 . 1 . . . . . . . . 4911 1
447 . 1 1 41 41 HIS HA H 1 3.9000 0.02 . 1 . . . . . . . . 4911 1
448 . 1 1 41 41 HIS CB C 13 31.5700 0.05 . 1 . . . . . . . . 4911 1
449 . 1 1 41 41 HIS HB2 H 1 3.1300 0.02 . 1 . . . . . . . . 4911 1
450 . 1 1 41 41 HIS HB3 H 1 3.2500 0.02 . 1 . . . . . . . . 4911 1
451 . 1 1 41 41 HIS HD2 H 1 6.7300 0.02 . 1 . . . . . . . . 4911 1
452 . 1 1 41 41 HIS HE1 H 1 7.8700 0.02 . 1 . . . . . . . . 4911 1
453 . 1 1 42 42 ILE N N 15 117.0200 0.05 . 1 . . . . . . . . 4911 1
454 . 1 1 42 42 ILE H H 1 7.5200 0.02 . 1 . . . . . . . . 4911 1
455 . 1 1 42 42 ILE CA C 13 65.8600 0.05 . 1 . . . . . . . . 4911 1
456 . 1 1 42 42 ILE HA H 1 3.6000 0.02 . 1 . . . . . . . . 4911 1
457 . 1 1 42 42 ILE CB C 13 38.9500 0.05 . 1 . . . . . . . . 4911 1
458 . 1 1 42 42 ILE HB H 1 1.9020 0.02 . 1 . . . . . . . . 4911 1
459 . 1 1 42 42 ILE HG12 H 1 2.0980 0.02 . 1 . . . . . . . . 4911 1
460 . 1 1 42 42 ILE HG13 H 1 2.0980 0.02 . 1 . . . . . . . . 4911 1
461 . 1 1 42 42 ILE CG2 C 13 19.7000 0.05 . 1 . . . . . . . . 4911 1
462 . 1 1 42 42 ILE HG21 H 1 0.6700 0.02 . 1 . . . . . . . . 4911 1
463 . 1 1 42 42 ILE HG22 H 1 0.6700 0.02 . 1 . . . . . . . . 4911 1
464 . 1 1 42 42 ILE HG23 H 1 0.6700 0.02 . 1 . . . . . . . . 4911 1
465 . 1 1 42 42 ILE CD1 C 13 15.6200 0.05 . 1 . . . . . . . . 4911 1
466 . 1 1 42 42 ILE HD11 H 1 0.7800 0.02 . 1 . . . . . . . . 4911 1
467 . 1 1 42 42 ILE HD12 H 1 0.7800 0.02 . 1 . . . . . . . . 4911 1
468 . 1 1 42 42 ILE HD13 H 1 0.7800 0.02 . 1 . . . . . . . . 4911 1
469 . 1 1 43 43 LYS N N 15 118.9200 0.05 . 1 . . . . . . . . 4911 1
470 . 1 1 43 43 LYS H H 1 8.2500 0.02 . 1 . . . . . . . . 4911 1
471 . 1 1 43 43 LYS CA C 13 61.3900 0.05 . 1 . . . . . . . . 4911 1
472 . 1 1 43 43 LYS HA H 1 3.4000 0.02 . 1 . . . . . . . . 4911 1
473 . 1 1 43 43 LYS CB C 13 36.0400 0.05 . 1 . . . . . . . . 4911 1
474 . 1 1 43 43 LYS HB2 H 1 1.9000 0.02 . 1 . . . . . . . . 4911 1
475 . 1 1 43 43 LYS HB3 H 1 2.1100 0.02 . 1 . . . . . . . . 4911 1
476 . 1 1 44 44 LYS N N 15 117.9600 0.05 . 1 . . . . . . . . 4911 1
477 . 1 1 44 44 LYS H H 1 8.3700 0.02 . 1 . . . . . . . . 4911 1
478 . 1 1 44 44 LYS CA C 13 60.8900 0.05 . 1 . . . . . . . . 4911 1
479 . 1 1 44 44 LYS HA H 1 3.8400 0.02 . 1 . . . . . . . . 4911 1
480 . 1 1 44 44 LYS CB C 13 32.5600 0.05 . 1 . . . . . . . . 4911 1
481 . 1 1 44 44 LYS HB2 H 1 1.6400 0.02 . 1 . . . . . . . . 4911 1
482 . 1 1 44 44 LYS HB3 H 1 1.7500 0.02 . 1 . . . . . . . . 4911 1
483 . 1 1 44 44 LYS CG C 13 29.7700 0.05 . 1 . . . . . . . . 4911 1
484 . 1 1 44 44 LYS HG2 H 1 1.4000 0.02 . 1 . . . . . . . . 4911 1
485 . 1 1 44 44 LYS HG3 H 1 1.4900 0.02 . 1 . . . . . . . . 4911 1
486 . 1 1 44 44 LYS CE C 13 42.2500 0.05 . 1 . . . . . . . . 4911 1
487 . 1 1 44 44 LYS HE2 H 1 2.6300 0.02 . 1 . . . . . . . . 4911 1
488 . 1 1 44 44 LYS HE3 H 1 2.6300 0.02 . 1 . . . . . . . . 4911 1
489 . 1 1 45 45 GLU N N 15 119.9500 0.05 . 1 . . . . . . . . 4911 1
490 . 1 1 45 45 GLU H H 1 7.8500 0.02 . 1 . . . . . . . . 4911 1
491 . 1 1 45 45 GLU CA C 13 59.4000 0.05 . 1 . . . . . . . . 4911 1
492 . 1 1 45 45 GLU HA H 1 3.8900 0.02 . 1 . . . . . . . . 4911 1
493 . 1 1 45 45 GLU CB C 13 30.0800 0.05 . 1 . . . . . . . . 4911 1
494 . 1 1 45 45 GLU HB2 H 1 1.7600 0.02 . 1 . . . . . . . . 4911 1
495 . 1 1 45 45 GLU HB3 H 1 1.9700 0.02 . 1 . . . . . . . . 4911 1
496 . 1 1 45 45 GLU CG C 13 34.0000 0.05 . 1 . . . . . . . . 4911 1
497 . 1 1 45 45 GLU HG2 H 1 2.4200 0.02 . 1 . . . . . . . . 4911 1
498 . 1 1 45 45 GLU HG3 H 1 2.9800 0.02 . 1 . . . . . . . . 4911 1
499 . 1 1 46 46 PHE N N 15 123.7800 0.05 . 1 . . . . . . . . 4911 1
500 . 1 1 46 46 PHE H H 1 8.4500 0.02 . 1 . . . . . . . . 4911 1
501 . 1 1 46 46 PHE CA C 13 63.8700 0.05 . 1 . . . . . . . . 4911 1
502 . 1 1 46 46 PHE HA H 1 3.6100 0.02 . 1 . . . . . . . . 4911 1
503 . 1 1 46 46 PHE CB C 13 36.3500 0.05 . 1 . . . . . . . . 4911 1
504 . 1 1 46 46 PHE HB2 H 1 0.6900 0.02 . 1 . . . . . . . . 4911 1
505 . 1 1 46 46 PHE HB3 H 1 2.5700 0.02 . 1 . . . . . . . . 4911 1
506 . 1 1 46 46 PHE HD1 H 1 5.7700 0.02 . 1 . . . . . . . . 4911 1
507 . 1 1 46 46 PHE HD2 H 1 5.7700 0.02 . 1 . . . . . . . . 4911 1
508 . 1 1 46 46 PHE HE1 H 1 6.5800 0.02 . 1 . . . . . . . . 4911 1
509 . 1 1 46 46 PHE HE2 H 1 6.5800 0.02 . 1 . . . . . . . . 4911 1
510 . 1 1 46 46 PHE HZ H 1 6.9800 0.02 . 1 . . . . . . . . 4911 1
511 . 1 1 47 47 ASP N N 15 120.4900 0.05 . 1 . . . . . . . . 4911 1
512 . 1 1 47 47 ASP H H 1 8.4700 0.02 . 1 . . . . . . . . 4911 1
513 . 1 1 47 47 ASP CA C 13 57.9100 0.05 . 1 . . . . . . . . 4911 1
514 . 1 1 47 47 ASP HA H 1 4.2800 0.02 . 1 . . . . . . . . 4911 1
515 . 1 1 47 47 ASP CB C 13 40.5200 0.05 . 1 . . . . . . . . 4911 1
516 . 1 1 47 47 ASP HB3 H 1 2.7800 0.02 . 1 . . . . . . . . 4911 1
517 . 1 1 47 47 ASP HB2 H 1 2.5200 0.02 . 1 . . . . . . . . 4911 1
518 . 1 1 48 48 LYS N N 15 117.6800 0.05 . 1 . . . . . . . . 4911 1
519 . 1 1 48 48 LYS H H 1 7.2000 0.02 . 1 . . . . . . . . 4911 1
520 . 1 1 48 48 LYS CA C 13 59.9000 0.05 . 1 . . . . . . . . 4911 1
521 . 1 1 48 48 LYS HA H 1 3.9300 0.02 . 1 . . . . . . . . 4911 1
522 . 1 1 48 48 LYS CB C 13 33.0600 0.05 . 1 . . . . . . . . 4911 1
523 . 1 1 48 48 LYS HB2 H 1 1.7600 0.02 . 1 . . . . . . . . 4911 1
524 . 1 1 48 48 LYS CG C 13 25.2900 0.05 . 1 . . . . . . . . 4911 1
525 . 1 1 48 48 LYS HG3 H 1 1.4500 0.02 . 1 . . . . . . . . 4911 1
526 . 1 1 48 48 LYS HG2 H 1 1.2400 0.02 . 1 . . . . . . . . 4911 1
527 . 1 1 48 48 LYS CD C 13 29.8200 0.05 . 1 . . . . . . . . 4911 1
528 . 1 1 48 48 LYS HD2 H 1 1.5900 0.02 . 1 . . . . . . . . 4911 1
529 . 1 1 48 48 LYS CE C 13 42.2100 0.05 . 1 . . . . . . . . 4911 1
530 . 1 1 48 48 LYS HE2 H 1 2.8200 0.02 . 1 . . . . . . . . 4911 1
531 . 1 1 49 49 LYS N N 15 118.1500 0.05 . 1 . . . . . . . . 4911 1
532 . 1 1 49 49 LYS H H 1 7.9600 0.02 . 1 . . . . . . . . 4911 1
533 . 1 1 49 49 LYS CA C 13 59.3500 0.05 . 1 . . . . . . . . 4911 1
534 . 1 1 49 49 LYS HA H 1 3.7320 0.02 . 1 . . . . . . . . 4911 1
535 . 1 1 49 49 LYS CB C 13 34.5300 0.05 . 1 . . . . . . . . 4911 1
536 . 1 1 49 49 LYS HB3 H 1 1.0700 0.02 . 1 . . . . . . . . 4911 1
537 . 1 1 49 49 LYS HB2 H 1 0.6900 0.02 . 1 . . . . . . . . 4911 1
538 . 1 1 49 49 LYS CG C 13 25.5100 0.05 . 1 . . . . . . . . 4911 1
539 . 1 1 49 49 LYS HG3 H 1 0.8900 0.02 . 1 . . . . . . . . 4911 1
540 . 1 1 49 49 LYS HG2 H 1 0.2500 0.02 . 1 . . . . . . . . 4911 1
541 . 1 1 49 49 LYS CD C 13 29.8100 0.05 . 1 . . . . . . . . 4911 1
542 . 1 1 49 49 LYS HD2 H 1 1.1000 0.02 . 1 . . . . . . . . 4911 1
543 . 1 1 49 49 LYS HD3 H 1 1.1800 0.02 . 1 . . . . . . . . 4911 1
544 . 1 1 49 49 LYS CE C 13 42.1000 0.05 . 1 . . . . . . . . 4911 1
545 . 1 1 49 49 LYS HE2 H 1 2.5100 0.02 . 1 . . . . . . . . 4911 1
546 . 1 1 49 49 LYS HE3 H 1 2.6000 0.02 . 1 . . . . . . . . 4911 1
547 . 1 1 50 50 TYR N N 15 115.7400 0.05 . 1 . . . . . . . . 4911 1
548 . 1 1 50 50 TYR H H 1 8.4640 0.02 . 1 . . . . . . . . 4911 1
549 . 1 1 50 50 TYR CA C 13 58.9000 0.05 . 1 . . . . . . . . 4911 1
550 . 1 1 50 50 TYR HA H 1 4.7930 0.02 . 1 . . . . . . . . 4911 1
551 . 1 1 50 50 TYR CB C 13 40.0100 0.05 . 1 . . . . . . . . 4911 1
552 . 1 1 50 50 TYR HB3 H 1 3.8800 0.02 . 1 . . . . . . . . 4911 1
553 . 1 1 50 50 TYR HB2 H 1 2.7200 0.02 . 1 . . . . . . . . 4911 1
554 . 1 1 50 50 TYR HD1 H 1 6.4800 0.02 . 1 . . . . . . . . 4911 1
555 . 1 1 50 50 TYR HD2 H 1 6.4800 0.02 . 1 . . . . . . . . 4911 1
556 . 1 1 50 50 TYR HE1 H 1 6.1900 0.02 . 1 . . . . . . . . 4911 1
557 . 1 1 50 50 TYR HE2 H 1 6.1900 0.02 . 1 . . . . . . . . 4911 1
558 . 1 1 51 51 ASN N N 15 112.9900 0.05 . 1 . . . . . . . . 4911 1
559 . 1 1 51 51 ASN H H 1 6.9200 0.02 . 1 . . . . . . . . 4911 1
560 . 1 1 51 51 ASN CA C 13 55.7900 0.05 . 1 . . . . . . . . 4911 1
561 . 1 1 51 51 ASN HA H 1 4.8980 0.02 . 1 . . . . . . . . 4911 1
562 . 1 1 51 51 ASN CB C 13 36.9100 0.05 . 1 . . . . . . . . 4911 1
563 . 1 1 51 51 ASN HB2 H 1 2.9000 0.02 . 1 . . . . . . . . 4911 1
564 . 1 1 51 51 ASN HB3 H 1 3.7600 0.02 . 1 . . . . . . . . 4911 1
565 . 1 1 51 51 ASN ND2 N 15 113.8100 0.05 . 1 . . . . . . . . 4911 1
566 . 1 1 51 51 ASN HD21 H 1 6.9700 0.02 . 1 . . . . . . . . 4911 1
567 . 1 1 51 51 ASN HD22 H 1 7.5700 0.02 . 1 . . . . . . . . 4911 1
568 . 1 1 52 52 PRO CA C 13 61.0400 0.05 . 1 . . . . . . . . 4911 1
569 . 1 1 52 52 PRO HA H 1 5.1900 0.02 . 1 . . . . . . . . 4911 1
570 . 1 1 52 52 PRO CB C 13 32.6900 0.05 . 1 . . . . . . . . 4911 1
571 . 1 1 52 52 PRO HB2 H 1 2.0130 0.02 . 1 . . . . . . . . 4911 1
572 . 1 1 52 52 PRO HB3 H 1 2.2050 0.02 . 1 . . . . . . . . 4911 1
573 . 1 1 52 52 PRO CG C 13 28.4500 0.05 . 1 . . . . . . . . 4911 1
574 . 1 1 52 52 PRO HG2 H 1 1.8500 0.02 . 1 . . . . . . . . 4911 1
575 . 1 1 52 52 PRO HG3 H 1 2.0100 0.02 . 1 . . . . . . . . 4911 1
576 . 1 1 52 52 PRO CD C 13 50.8000 0.05 . 1 . . . . . . . . 4911 1
577 . 1 1 52 52 PRO HD2 H 1 3.5500 0.02 . 1 . . . . . . . . 4911 1
578 . 1 1 52 52 PRO HD3 H 1 3.8700 0.02 . 1 . . . . . . . . 4911 1
579 . 1 1 53 53 THR N N 15 120.8400 0.05 . 1 . . . . . . . . 4911 1
580 . 1 1 53 53 THR H H 1 7.8700 0.02 . 1 . . . . . . . . 4911 1
581 . 1 1 53 53 THR CA C 13 65.8500 0.05 . 1 . . . . . . . . 4911 1
582 . 1 1 53 53 THR HA H 1 3.7600 0.02 . 1 . . . . . . . . 4911 1
583 . 1 1 53 53 THR CB C 13 69.8400 0.05 . 1 . . . . . . . . 4911 1
584 . 1 1 53 53 THR HB H 1 3.7900 0.02 . 1 . . . . . . . . 4911 1
585 . 1 1 53 53 THR CG2 C 13 23.3200 0.05 . 1 . . . . . . . . 4911 1
586 . 1 1 53 53 THR HG21 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1
587 . 1 1 53 53 THR HG22 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1
588 . 1 1 53 53 THR HG23 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1
589 . 1 1 54 54 TRP N N 15 127.6200 0.05 . 1 . . . . . . . . 4911 1
590 . 1 1 54 54 TRP H H 1 9.3400 0.02 . 1 . . . . . . . . 4911 1
591 . 1 1 54 54 TRP CA C 13 55.9200 0.05 . 1 . . . . . . . . 4911 1
592 . 1 1 54 54 TRP HA H 1 4.9300 0.02 . 1 . . . . . . . . 4911 1
593 . 1 1 54 54 TRP CB C 13 30.0800 0.05 . 1 . . . . . . . . 4911 1
594 . 1 1 54 54 TRP HB3 H 1 3.0100 0.02 . 1 . . . . . . . . 4911 1
595 . 1 1 54 54 TRP HB2 H 1 2.8800 0.02 . 1 . . . . . . . . 4911 1
596 . 1 1 54 54 TRP HD1 H 1 8.1300 0.02 . 1 . . . . . . . . 4911 1
597 . 1 1 54 54 TRP HE3 H 1 7.222 0.02 . 1 . . . . . . . . 4911 1
598 . 1 1 54 54 TRP HZ2 H 1 7.46 0.02 . 1 . . . . . . . . 4911 1
599 . 1 1 54 54 TRP HZ3 H 1 6.57 0.02 . 1 . . . . . . . . 4911 1
600 . 1 1 54 54 TRP HH2 H 1 7.3100 0.02 . 1 . . . . . . . . 4911 1
601 . 1 1 54 54 TRP NE1 N 15 130.7400 0.05 . 1 . . . . . . . . 4911 1
602 . 1 1 54 54 TRP HE1 H 1 9.1800 0.02 . 1 . . . . . . . . 4911 1
603 . 1 1 55 55 HIS N N 15 118.6100 0.05 . 1 . . . . . . . . 4911 1
604 . 1 1 55 55 HIS H H 1 8.4800 0.02 . 1 . . . . . . . . 4911 1
605 . 1 1 55 55 HIS CA C 13 55.4200 0.05 . 1 . . . . . . . . 4911 1
606 . 1 1 55 55 HIS HA H 1 4.7600 0.02 . 1 . . . . . . . . 4911 1
607 . 1 1 55 55 HIS CB C 13 35.0700 0.05 . 1 . . . . . . . . 4911 1
608 . 1 1 55 55 HIS HB3 H 1 2.5900 0.02 . 1 . . . . . . . . 4911 1
609 . 1 1 55 55 HIS HB2 H 1 1.6200 0.02 . 1 . . . . . . . . 4911 1
610 . 1 1 55 55 HIS HD2 H 1 5.9800 0.02 . 1 . . . . . . . . 4911 1
611 . 1 1 55 55 HIS HE1 H 1 8.4700 0.02 . 1 . . . . . . . . 4911 1
612 . 1 1 56 56 CYS N N 15 120.5600 0.05 . 1 . . . . . . . . 4911 1
613 . 1 1 56 56 CYS H H 1 8.3600 0.02 . 1 . . . . . . . . 4911 1
614 . 1 1 56 56 CYS CA C 13 57.4100 0.05 . 1 . . . . . . . . 4911 1
615 . 1 1 56 56 CYS HA H 1 5.8300 0.02 . 1 . . . . . . . . 4911 1
616 . 1 1 56 56 CYS CB C 13 31.0700 0.05 . 1 . . . . . . . . 4911 1
617 . 1 1 56 56 CYS HB2 H 1 2.5720 0.02 . 1 . . . . . . . . 4911 1
618 . 1 1 56 56 CYS HB3 H 1 2.8000 0.02 . 1 . . . . . . . . 4911 1
619 . 1 1 57 57 ILE N N 15 132.7700 0.05 . 1 . . . . . . . . 4911 1
620 . 1 1 57 57 ILE H H 1 9.4600 0.02 . 1 . . . . . . . . 4911 1
621 . 1 1 57 57 ILE CA C 13 60.7700 0.05 . 1 . . . . . . . . 4911 1
622 . 1 1 57 57 ILE HA H 1 4.6200 0.02 . 1 . . . . . . . . 4911 1
623 . 1 1 57 57 ILE CB C 13 40.5400 0.05 . 1 . . . . . . . . 4911 1
624 . 1 1 57 57 ILE HB H 1 1.7000 0.02 . 1 . . . . . . . . 4911 1
625 . 1 1 57 57 ILE CG1 C 13 30.2800 0.05 . 1 . . . . . . . . 4911 1
626 . 1 1 57 57 ILE HG12 H 1 1.2800 0.02 . 1 . . . . . . . . 4911 1
627 . 1 1 57 57 ILE HG13 H 1 1.2800 0.02 . 1 . . . . . . . . 4911 1
628 . 1 1 57 57 ILE CG2 C 13 19.5800 0.05 . 1 . . . . . . . . 4911 1
629 . 1 1 57 57 ILE HG21 H 1 -0.1300 0.02 . 1 . . . . . . . . 4911 1
630 . 1 1 57 57 ILE HG22 H 1 -0.1300 0.02 . 1 . . . . . . . . 4911 1
631 . 1 1 57 57 ILE HG23 H 1 -0.1300 0.02 . 1 . . . . . . . . 4911 1
632 . 1 1 57 57 ILE CD1 C 13 14.2800 0.05 . 1 . . . . . . . . 4911 1
633 . 1 1 57 57 ILE HD11 H 1 0.8500 0.02 . 1 . . . . . . . . 4911 1
634 . 1 1 57 57 ILE HD12 H 1 0.8500 0.02 . 1 . . . . . . . . 4911 1
635 . 1 1 57 57 ILE HD13 H 1 0.8500 0.02 . 1 . . . . . . . . 4911 1
636 . 1 1 58 58 VAL N N 15 126.3600 0.05 . 1 . . . . . . . . 4911 1
637 . 1 1 58 58 VAL H H 1 8.8300 0.02 . 1 . . . . . . . . 4911 1
638 . 1 1 58 58 VAL CA C 13 59.9000 0.05 . 1 . . . . . . . . 4911 1
639 . 1 1 58 58 VAL HA H 1 5.3810 0.02 . 1 . . . . . . . . 4911 1
640 . 1 1 58 58 VAL CB C 13 36.5400 0.05 . 1 . . . . . . . . 4911 1
641 . 1 1 58 58 VAL HB H 1 1.8300 0.02 . 1 . . . . . . . . 4911 1
642 . 1 1 58 58 VAL CG2 C 13 22.5800 0.05 . 1 . . . . . . . . 4911 1
643 . 1 1 58 58 VAL HG21 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1
644 . 1 1 58 58 VAL HG22 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1
645 . 1 1 58 58 VAL HG23 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1
646 . 1 1 58 58 VAL CG1 C 13 21.4700 0.05 . 1 . . . . . . . . 4911 1
647 . 1 1 58 58 VAL HG11 H 1 0.8340 0.02 . 1 . . . . . . . . 4911 1
648 . 1 1 58 58 VAL HG12 H 1 0.8340 0.02 . 1 . . . . . . . . 4911 1
649 . 1 1 58 58 VAL HG13 H 1 0.8340 0.02 . 1 . . . . . . . . 4911 1
650 . 1 1 59 59 GLY N N 15 111.9900 0.05 . 1 . . . . . . . . 4911 1
651 . 1 1 59 59 GLY H H 1 9.7500 0.02 . 1 . . . . . . . . 4911 1
652 . 1 1 59 59 GLY CA C 13 47.4700 0.05 . 1 . . . . . . . . 4911 1
653 . 1 1 59 59 GLY HA2 H 1 4.6300 0.02 . 1 . . . . . . . . 4911 1
654 . 1 1 59 59 GLY HA3 H 1 4.7200 0.02 . 1 . . . . . . . . 4911 1
655 . 1 1 60 60 ARG N N 15 116.8900 0.05 . 1 . . . . . . . . 4911 1
656 . 1 1 60 60 ARG H H 1 8.0200 0.02 . 1 . . . . . . . . 4911 1
657 . 1 1 60 60 ARG CA C 13 57.4100 0.05 . 1 . . . . . . . . 4911 1
658 . 1 1 60 60 ARG HA H 1 4.6670 0.02 . 1 . . . . . . . . 4911 1
659 . 1 1 60 60 ARG CB C 13 34.0700 0.05 . 1 . . . . . . . . 4911 1
660 . 1 1 60 60 ARG HB2 H 1 1.5720 0.02 . 1 . . . . . . . . 4911 1
661 . 1 1 60 60 ARG HB3 H 1 1.7300 0.02 . 1 . . . . . . . . 4911 1
662 . 1 1 60 60 ARG HG2 H 1 2.0300 0.02 . 1 . . . . . . . . 4911 1
663 . 1 1 60 60 ARG HG3 H 1 2.0300 0.02 . 1 . . . . . . . . 4911 1
664 . 1 1 60 60 ARG HD2 H 1 3.3180 0.02 . 1 . . . . . . . . 4911 1
665 . 1 1 61 61 ASN N N 15 116.8300 0.05 . 1 . . . . . . . . 4911 1
666 . 1 1 61 61 ASN H H 1 8.6720 0.02 . 1 . . . . . . . . 4911 1
667 . 1 1 61 61 ASN CA C 13 54.7300 0.05 . 1 . . . . . . . . 4911 1
668 . 1 1 61 61 ASN HA H 1 5.37 0.02 . 1 . . . . . . . . 4911 1
669 . 1 1 61 61 ASN CB C 13 41.9700 0.05 . 1 . . . . . . . . 4911 1
670 . 1 1 61 61 ASN HB2 H 1 2.8300 0.02 . 1 . . . . . . . . 4911 1
671 . 1 1 61 61 ASN HB3 H 1 2.9700 0.02 . 1 . . . . . . . . 4911 1
672 . 1 1 61 61 ASN ND2 N 15 114.0200 0.05 . 1 . . . . . . . . 4911 1
673 . 1 1 61 61 ASN HD21 H 1 7.1500 0.02 . 1 . . . . . . . . 4911 1
674 . 1 1 61 61 ASN HD22 H 1 7.7700 0.02 . 1 . . . . . . . . 4911 1
675 . 1 1 62 62 PHE N N 15 120.8900 0.05 . 1 . . . . . . . . 4911 1
676 . 1 1 62 62 PHE H H 1 8.0400 0.02 . 1 . . . . . . . . 4911 1
677 . 1 1 62 62 PHE CA C 13 57.9600 0.05 . 1 . . . . . . . . 4911 1
678 . 1 1 62 62 PHE HA H 1 5.24 0.02 . 1 . . . . . . . . 4911 1
679 . 1 1 62 62 PHE CB C 13 39.4800 0.05 . 1 . . . . . . . . 4911 1
680 . 1 1 62 62 PHE HB3 H 1 3.3900 0.02 . 1 . . . . . . . . 4911 1
681 . 1 1 62 62 PHE HB2 H 1 2.2400 0.02 . 1 . . . . . . . . 4911 1
682 . 1 1 62 62 PHE HD1 H 1 6.6200 0.02 . 1 . . . . . . . . 4911 1
683 . 1 1 62 62 PHE HD2 H 1 6.6200 0.02 . 1 . . . . . . . . 4911 1
684 . 1 1 62 62 PHE HE1 H 1 6.8700 0.02 . 1 . . . . . . . . 4911 1
685 . 1 1 62 62 PHE HE2 H 1 6.8700 0.02 . 1 . . . . . . . . 4911 1
686 . 1 1 62 62 PHE HZ H 1 6.7500 0.02 . 1 . . . . . . . . 4911 1
687 . 1 1 63 63 GLY N N 15 107.0200 0.05 . 1 . . . . . . . . 4911 1
688 . 1 1 63 63 GLY H H 1 9.6400 0.02 . 1 . . . . . . . . 4911 1
689 . 1 1 63 63 GLY CA C 13 44.3300 0.05 . 1 . . . . . . . . 4911 1
690 . 1 1 63 63 GLY HA3 H 1 4.9600 0.02 . 1 . . . . . . . . 4911 1
691 . 1 1 63 63 GLY HA2 H 1 3.5000 0.02 . 1 . . . . . . . . 4911 1
692 . 1 1 64 64 SER N N 15 113.8600 0.05 . 1 . . . . . . . . 4911 1
693 . 1 1 64 64 SER H H 1 9.1400 0.02 . 1 . . . . . . . . 4911 1
694 . 1 1 64 64 SER CA C 13 57.3400 0.05 . 1 . . . . . . . . 4911 1
695 . 1 1 64 64 SER HA H 1 5.4500 0.02 . 1 . . . . . . . . 4911 1
696 . 1 1 64 64 SER CB C 13 68.3900 0.05 . 1 . . . . . . . . 4911 1
697 . 1 1 64 64 SER HB2 H 1 3.6300 0.02 . 1 . . . . . . . . 4911 1
698 . 1 1 65 65 TYR N N 15 125.9600 0.05 . 1 . . . . . . . . 4911 1
699 . 1 1 65 65 TYR H H 1 8.8800 0.02 . 1 . . . . . . . . 4911 1
700 . 1 1 65 65 TYR CA C 13 60.8900 0.05 . 1 . . . . . . . . 4911 1
701 . 1 1 65 65 TYR HA H 1 4.9200 0.02 . 1 . . . . . . . . 4911 1
702 . 1 1 65 65 TYR CB C 13 41.0100 0.05 . 1 . . . . . . . . 4911 1
703 . 1 1 65 65 TYR HB2 H 1 2.6300 0.02 . 1 . . . . . . . . 4911 1
704 . 1 1 65 65 TYR HB3 H 1 2.7900 0.02 . 1 . . . . . . . . 4911 1
705 . 1 1 65 65 TYR HD1 H 1 6.7500 0.02 . 1 . . . . . . . . 4911 1
706 . 1 1 65 65 TYR HD2 H 1 6.7500 0.02 . 1 . . . . . . . . 4911 1
707 . 1 1 65 65 TYR HE1 H 1 6.57 0.02 . 1 . . . . . . . . 4911 1
708 . 1 1 65 65 TYR HE2 H 1 6.57 0.02 . 1 . . . . . . . . 4911 1
709 . 1 1 66 66 VAL N N 15 119.1000 0.05 . 1 . . . . . . . . 4911 1
710 . 1 1 66 66 VAL H H 1 7.8100 0.02 . 1 . . . . . . . . 4911 1
711 . 1 1 66 66 VAL CA C 13 57.9100 0.05 . 1 . . . . . . . . 4911 1
712 . 1 1 66 66 VAL HA H 1 5.0800 0.02 . 1 . . . . . . . . 4911 1
713 . 1 1 66 66 VAL CB C 13 34.9400 0.05 . 1 . . . . . . . . 4911 1
714 . 1 1 66 66 VAL HB H 1 2.1500 0.02 . 1 . . . . . . . . 4911 1
715 . 1 1 66 66 VAL CG2 C 13 20.8100 0.05 . 1 . . . . . . . . 4911 1
716 . 1 1 66 66 VAL HG21 H 1 0.6400 0.02 . 1 . . . . . . . . 4911 1
717 . 1 1 66 66 VAL HG22 H 1 0.6400 0.02 . 1 . . . . . . . . 4911 1
718 . 1 1 66 66 VAL HG23 H 1 0.6400 0.02 . 1 . . . . . . . . 4911 1
719 . 1 1 66 66 VAL CG1 C 13 16.5200 0.05 . 1 . . . . . . . . 4911 1
720 . 1 1 66 66 VAL HG11 H 1 -0.1000 0.02 . 1 . . . . . . . . 4911 1
721 . 1 1 66 66 VAL HG12 H 1 -0.1000 0.02 . 1 . . . . . . . . 4911 1
722 . 1 1 66 66 VAL HG13 H 1 -0.1000 0.02 . 1 . . . . . . . . 4911 1
723 . 1 1 67 67 THR N N 15 119.5400 0.05 . 1 . . . . . . . . 4911 1
724 . 1 1 67 67 THR H H 1 8.7050 0.02 . 1 . . . . . . . . 4911 1
725 . 1 1 67 67 THR CA C 13 61.8900 0.05 . 1 . . . . . . . . 4911 1
726 . 1 1 67 67 THR HA H 1 5.2200 0.02 . 1 . . . . . . . . 4911 1
727 . 1 1 67 67 THR CB C 13 71.3300 0.05 . 1 . . . . . . . . 4911 1
728 . 1 1 67 67 THR HB H 1 3.3700 0.02 . 1 . . . . . . . . 4911 1
729 . 1 1 67 67 THR CG2 C 13 23.4000 0.05 . 1 . . . . . . . . 4911 1
730 . 1 1 67 67 THR HG21 H 1 1.1300 0.02 . 1 . . . . . . . . 4911 1
731 . 1 1 67 67 THR HG22 H 1 1.1300 0.02 . 1 . . . . . . . . 4911 1
732 . 1 1 67 67 THR HG23 H 1 1.1300 0.02 . 1 . . . . . . . . 4911 1
733 . 1 1 68 68 HIS N N 15 118.3000 0.05 . 1 . . . . . . . . 4911 1
734 . 1 1 68 68 HIS H H 1 8.9440 0.02 . 1 . . . . . . . . 4911 1
735 . 1 1 68 68 HIS CA C 13 52.9400 0.05 . 1 . . . . . . . . 4911 1
736 . 1 1 68 68 HIS HA H 1 5.7100 0.02 . 1 . . . . . . . . 4911 1
737 . 1 1 68 68 HIS CB C 13 35.0500 0.05 . 1 . . . . . . . . 4911 1
738 . 1 1 68 68 HIS HB3 H 1 3.6230 0.02 . 1 . . . . . . . . 4911 1
739 . 1 1 68 68 HIS HB2 H 1 3.0350 0.02 . 1 . . . . . . . . 4911 1
740 . 1 1 68 68 HIS HD2 H 1 6.1300 0.02 . 1 . . . . . . . . 4911 1
741 . 1 1 68 68 HIS HE1 H 1 8.4300 0.02 . 1 . . . . . . . . 4911 1
742 . 1 1 69 69 GLU N N 15 120.0300 0.05 . 1 . . . . . . . . 4911 1
743 . 1 1 69 69 GLU H H 1 8.5700 0.02 . 1 . . . . . . . . 4911 1
744 . 1 1 69 69 GLU CA C 13 56.9200 0.05 . 1 . . . . . . . . 4911 1
745 . 1 1 69 69 GLU HA H 1 4.4730 0.02 . 1 . . . . . . . . 4911 1
746 . 1 1 69 69 GLU CB C 13 30.5800 0.05 . 1 . . . . . . . . 4911 1
747 . 1 1 69 69 GLU HB2 H 1 1.5500 0.02 . 1 . . . . . . . . 4911 1
748 . 1 1 69 69 GLU HB3 H 1 1.9300 0.02 . 1 . . . . . . . . 4911 1
749 . 1 1 69 69 GLU CG C 13 36.2100 0.05 . 1 . . . . . . . . 4911 1
750 . 1 1 69 69 GLU HG2 H 1 2.2500 0.02 . 1 . . . . . . . . 4911 1
751 . 1 1 69 69 GLU HG3 H 1 2.2500 0.02 . 1 . . . . . . . . 4911 1
752 . 1 1 70 70 THR N N 15 120.8700 0.05 . 1 . . . . . . . . 4911 1
753 . 1 1 70 70 THR H H 1 7.6100 0.05 . 1 . . . . . . . . 4911 1
754 . 1 1 70 70 THR CA C 13 65.3600 0.05 . 1 . . . . . . . . 4911 1
755 . 1 1 70 70 THR HA H 1 4.1500 0.02 . 1 . . . . . . . . 4911 1
756 . 1 1 70 70 THR CB C 13 69.3400 0.05 . 1 . . . . . . . . 4911 1
757 . 1 1 70 70 THR HB H 1 4.2600 0.02 . 1 . . . . . . . . 4911 1
758 . 1 1 70 70 THR CG2 C 13 23.3100 0.05 . 1 . . . . . . . . 4911 1
759 . 1 1 70 70 THR HG21 H 1 1.3700 0.02 . 1 . . . . . . . . 4911 1
760 . 1 1 70 70 THR HG22 H 1 1.3700 0.02 . 1 . . . . . . . . 4911 1
761 . 1 1 70 70 THR HG23 H 1 1.3700 0.02 . 1 . . . . . . . . 4911 1
762 . 1 1 71 71 LYS N N 15 125.1900 0.05 . 1 . . . . . . . . 4911 1
763 . 1 1 71 71 LYS H H 1 9.6690 0.02 . 1 . . . . . . . . 4911 1
764 . 1 1 71 71 LYS CA C 13 59.4200 0.05 . 1 . . . . . . . . 4911 1
765 . 1 1 71 71 LYS HA H 1 3.7300 0.02 . 1 . . . . . . . . 4911 1
766 . 1 1 71 71 LYS CB C 13 30.5800 0.05 . 1 . . . . . . . . 4911 1
767 . 1 1 71 71 LYS HB2 H 1 2.0100 0.02 . 1 . . . . . . . . 4911 1
768 . 1 1 71 71 LYS HB3 H 1 2.1200 0.02 . 1 . . . . . . . . 4911 1
769 . 1 1 71 71 LYS CG C 13 25.5200 0.05 . 1 . . . . . . . . 4911 1
770 . 1 1 71 71 LYS HG3 H 1 1.4500 0.02 . 1 . . . . . . . . 4911 1
771 . 1 1 71 71 LYS HG2 H 1 0.8800 0.02 . 1 . . . . . . . . 4911 1
772 . 1 1 71 71 LYS CD C 13 29.5800 0.05 . 1 . . . . . . . . 4911 1
773 . 1 1 71 71 LYS HD2 H 1 1.1600 0.02 . 1 . . . . . . . . 4911 1
774 . 1 1 71 71 LYS HD3 H 1 1.1600 0.02 . 1 . . . . . . . . 4911 1
775 . 1 1 71 71 LYS HE2 H 1 2.9700 0.02 . 1 . . . . . . . . 4911 1
776 . 1 1 71 71 LYS HE3 H 1 2.9700 0.02 . 1 . . . . . . . . 4911 1
777 . 1 1 72 72 HIS N N 15 116.4100 0.05 . 1 . . . . . . . . 4911 1
778 . 1 1 72 72 HIS H H 1 7.7770 0.02 . 1 . . . . . . . . 4911 1
779 . 1 1 72 72 HIS CA C 13 55.9200 0.05 . 1 . . . . . . . . 4911 1
780 . 1 1 72 72 HIS HA H 1 5.04 0.02 . 1 . . . . . . . . 4911 1
781 . 1 1 72 72 HIS CB C 13 30.5600 0.05 . 1 . . . . . . . . 4911 1
782 . 1 1 72 72 HIS HB3 H 1 3.1390 0.02 . 1 . . . . . . . . 4911 1
783 . 1 1 72 72 HIS HB2 H 1 2.8820 0.02 . 1 . . . . . . . . 4911 1
784 . 1 1 72 72 HIS HD2 H 1 7.15 0.02 . 1 . . . . . . . . 4911 1
785 . 1 1 72 72 HIS HE1 H 1 8.3800 0.02 . 1 . . . . . . . . 4911 1
786 . 1 1 73 73 PHE N N 15 122.1600 0.05 . 1 . . . . . . . . 4911 1
787 . 1 1 73 73 PHE H H 1 8.2300 0.02 . 1 . . . . . . . . 4911 1
788 . 1 1 73 73 PHE CA C 13 58.9000 0.05 . 1 . . . . . . . . 4911 1
789 . 1 1 73 73 PHE HA H 1 5.1700 0.02 . 1 . . . . . . . . 4911 1
790 . 1 1 73 73 PHE CB C 13 42.5000 0.05 . 1 . . . . . . . . 4911 1
791 . 1 1 73 73 PHE HB3 H 1 2.3400 0.02 . 1 . . . . . . . . 4911 1
792 . 1 1 73 73 PHE HB2 H 1 1.8800 0.02 . 1 . . . . . . . . 4911 1
793 . 1 1 73 73 PHE HE1 H 1 6.79 0.02 . 1 . . . . . . . . 4911 1
794 . 1 1 73 73 PHE HE2 H 1 6.79 0.02 . 1 . . . . . . . . 4911 1
795 . 1 1 73 73 PHE HD1 H 1 6.6000 0.02 . 1 . . . . . . . . 4911 1
796 . 1 1 73 73 PHE HD2 H 1 6.6000 0.02 . 1 . . . . . . . . 4911 1
797 . 1 1 74 74 ILE N N 15 129.2600 0.05 . 1 . . . . . . . . 4911 1
798 . 1 1 74 74 ILE H H 1 8.7100 0.02 . 1 . . . . . . . . 4911 1
799 . 1 1 74 74 ILE CA C 13 62.8800 0.05 . 1 . . . . . . . . 4911 1
800 . 1 1 74 74 ILE HA H 1 4.4700 0.02 . 1 . . . . . . . . 4911 1
801 . 1 1 74 74 ILE CB C 13 41.5100 0.05 . 1 . . . . . . . . 4911 1
802 . 1 1 74 74 ILE HB H 1 2.2600 0.02 . 1 . . . . . . . . 4911 1
803 . 1 1 74 74 ILE CG1 C 13 30.7500 0.05 . 1 . . . . . . . . 4911 1
804 . 1 1 74 74 ILE HG12 H 1 1.3200 0.02 . 1 . . . . . . . . 4911 1
805 . 1 1 74 74 ILE HG13 H 1 1.6200 0.02 . 1 . . . . . . . . 4911 1
806 . 1 1 74 74 ILE CG2 C 13 16.0300 0.05 . 1 . . . . . . . . 4911 1
807 . 1 1 74 74 ILE HG21 H 1 1.0000 0.02 . 1 . . . . . . . . 4911 1
808 . 1 1 74 74 ILE HG22 H 1 1.0000 0.02 . 1 . . . . . . . . 4911 1
809 . 1 1 74 74 ILE HG23 H 1 1.0000 0.02 . 1 . . . . . . . . 4911 1
810 . 1 1 74 74 ILE CD1 C 13 14.4700 0.05 . 1 . . . . . . . . 4911 1
811 . 1 1 74 74 ILE HD11 H 1 0.6800 0.02 . 1 . . . . . . . . 4911 1
812 . 1 1 74 74 ILE HD12 H 1 0.6800 0.02 . 1 . . . . . . . . 4911 1
813 . 1 1 74 74 ILE HD13 H 1 0.6800 0.02 . 1 . . . . . . . . 4911 1
814 . 1 1 75 75 TYR N N 15 126.7500 0.05 . 1 . . . . . . . . 4911 1
815 . 1 1 75 75 TYR H H 1 8.27 0.02 . 1 . . . . . . . . 4911 1
816 . 1 1 75 75 TYR CA C 13 54.4300 0.05 . 1 . . . . . . . . 4911 1
817 . 1 1 75 75 TYR HA H 1 6.1840 0.02 . 1 . . . . . . . . 4911 1
818 . 1 1 75 75 TYR CB C 13 41.5100 0.05 . 1 . . . . . . . . 4911 1
819 . 1 1 75 75 TYR HB2 H 1 3.1380 0.02 . 1 . . . . . . . . 4911 1
820 . 1 1 75 75 TYR HB3 H 1 2.9740 0.02 . 1 . . . . . . . . 4911 1
821 . 1 1 75 75 TYR HD1 H 1 7.08 0.02 . 1 . . . . . . . . 4911 1
822 . 1 1 75 75 TYR HD2 H 1 7.08 0.02 . 1 . . . . . . . . 4911 1
823 . 1 1 75 75 TYR HE1 H 1 6.5700 0.02 . 1 . . . . . . . . 4911 1
824 . 1 1 75 75 TYR HE2 H 1 6.5700 0.02 . 1 . . . . . . . . 4911 1
825 . 1 1 76 76 PHE N N 15 125.3900 0.05 . 1 . . . . . . . . 4911 1
826 . 1 1 76 76 PHE H H 1 9.4000 0.02 . 1 . . . . . . . . 4911 1
827 . 1 1 76 76 PHE CA C 13 55.4200 0.05 . 1 . . . . . . . . 4911 1
828 . 1 1 76 76 PHE HA H 1 4.9430 0.02 . 1 . . . . . . . . 4911 1
829 . 1 1 76 76 PHE CB C 13 43.5000 0.05 . 1 . . . . . . . . 4911 1
830 . 1 1 76 76 PHE HB2 H 1 2.9100 0.02 . 1 . . . . . . . . 4911 1
831 . 1 1 76 76 PHE HB3 H 1 3.1300 0.02 . 1 . . . . . . . . 4911 1
832 . 1 1 76 76 PHE HE1 H 1 6.6100 0.02 . 1 . . . . . . . . 4911 1
833 . 1 1 76 76 PHE HE2 H 1 6.6100 0.02 . 1 . . . . . . . . 4911 1
834 . 1 1 76 76 PHE HZ H 1 6.8900 0.02 . 1 . . . . . . . . 4911 1
835 . 1 1 76 76 PHE HD1 H 1 6.9900 0.02 . 1 . . . . . . . . 4911 1
836 . 1 1 76 76 PHE HD2 H 1 6.9900 0.02 . 1 . . . . . . . . 4911 1
837 . 1 1 77 77 TYR N N 15 119.2300 0.05 . 1 . . . . . . . . 4911 1
838 . 1 1 77 77 TYR H H 1 9.1380 0.02 . 1 . . . . . . . . 4911 1
839 . 1 1 77 77 TYR CA C 13 54.4300 0.05 . 1 . . . . . . . . 4911 1
840 . 1 1 77 77 TYR HA H 1 5.4100 0.02 . 1 . . . . . . . . 4911 1
841 . 1 1 77 77 TYR CB C 13 40.4900 0.05 . 1 . . . . . . . . 4911 1
842 . 1 1 77 77 TYR HB3 H 1 3.0600 0.02 . 1 . . . . . . . . 4911 1
843 . 1 1 77 77 TYR HB2 H 1 2.9800 0.02 . 1 . . . . . . . . 4911 1
844 . 1 1 77 77 TYR HD1 H 1 6.8700 0.02 . 1 . . . . . . . . 4911 1
845 . 1 1 77 77 TYR HD2 H 1 6.8700 0.02 . 1 . . . . . . . . 4911 1
846 . 1 1 77 77 TYR HE1 H 1 6.9100 0.02 . 1 . . . . . . . . 4911 1
847 . 1 1 77 77 TYR HE2 H 1 6.9100 0.02 . 1 . . . . . . . . 4911 1
848 . 1 1 78 78 LEU N N 15 122.6900 0.05 . 1 . . . . . . . . 4911 1
849 . 1 1 78 78 LEU H H 1 8.388 0.02 . 1 . . . . . . . . 4911 1
850 . 1 1 78 78 LEU CA C 13 54.4200 0.05 . 1 . . . . . . . . 4911 1
851 . 1 1 78 78 LEU HA H 1 4.6260 0.02 . 1 . . . . . . . . 4911 1
852 . 1 1 78 78 LEU CB C 13 45.0100 0.05 . 1 . . . . . . . . 4911 1
853 . 1 1 78 78 LEU HB2 H 1 1.3400 0.02 . 1 . . . . . . . . 4911 1
854 . 1 1 78 78 LEU HB3 H 1 1.4700 0.02 . 1 . . . . . . . . 4911 1
855 . 1 1 78 78 LEU HG H 1 1.6250 0.02 . 1 . . . . . . . . 4911 1
856 . 1 1 78 78 LEU CD2 C 13 27.7500 0.05 . 1 . . . . . . . . 4911 1
857 . 1 1 78 78 LEU HD21 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1
858 . 1 1 78 78 LEU HD22 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1
859 . 1 1 78 78 LEU HD23 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1
860 . 1 1 78 78 LEU CD1 C 13 24.5200 0.05 . 1 . . . . . . . . 4911 1
861 . 1 1 78 78 LEU HD11 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1
862 . 1 1 78 78 LEU HD12 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1
863 . 1 1 78 78 LEU HD13 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1
864 . 1 1 79 79 GLY N N 15 113.9600 0.05 . 1 . . . . . . . . 4911 1
865 . 1 1 79 79 GLY H H 1 8.733 0.02 . 1 . . . . . . . . 4911 1
866 . 1 1 79 79 GLY CA C 13 47.4800 0.05 . 1 . . . . . . . . 4911 1
867 . 1 1 79 79 GLY HA3 H 1 3.9650 0.02 . 1 . . . . . . . . 4911 1
868 . 1 1 79 79 GLY HA2 H 1 3.7320 0.02 . 1 . . . . . . . . 4911 1
869 . 1 1 80 80 GLN N N 15 124.8600 0.05 . 1 . . . . . . . . 4911 1
870 . 1 1 80 80 GLN H H 1 9.0900 0.02 . 1 . . . . . . . . 4911 1
871 . 1 1 80 80 GLN CA C 13 56.3700 0.05 . 1 . . . . . . . . 4911 1
872 . 1 1 80 80 GLN HA H 1 4.3200 0.02 . 1 . . . . . . . . 4911 1
873 . 1 1 80 80 GLN CB C 13 29.8000 0.05 . 1 . . . . . . . . 4911 1
874 . 1 1 80 80 GLN HB2 H 1 2.0000 0.02 . 1 . . . . . . . . 4911 1
875 . 1 1 80 80 GLN HB3 H 1 2.3300 0.02 . 1 . . . . . . . . 4911 1
876 . 1 1 80 80 GLN CG C 13 34.4100 0.05 . 1 . . . . . . . . 4911 1
877 . 1 1 80 80 GLN HG2 H 1 2.3800 0.02 . 1 . . . . . . . . 4911 1
878 . 1 1 80 80 GLN HG3 H 1 2.3800 0.02 . 1 . . . . . . . . 4911 1
879 . 1 1 80 80 GLN NE2 N 15 112.4600 0.05 . 1 . . . . . . . . 4911 1
880 . 1 1 80 80 GLN HE21 H 1 6.7000 0.02 . 1 . . . . . . . . 4911 1
881 . 1 1 80 80 GLN HE22 H 1 7.6200 0.02 . 1 . . . . . . . . 4911 1
882 . 1 1 81 81 VAL N N 15 111.5700 0.05 . 1 . . . . . . . . 4911 1
883 . 1 1 81 81 VAL H H 1 7.6900 0.02 . 1 . . . . . . . . 4911 1
884 . 1 1 81 81 VAL CA C 13 60.5600 0.05 . 1 . . . . . . . . 4911 1
885 . 1 1 81 81 VAL HA H 1 4.4700 0.02 . 1 . . . . . . . . 4911 1
886 . 1 1 81 81 VAL CB C 13 36.2000 0.05 . 1 . . . . . . . . 4911 1
887 . 1 1 81 81 VAL HB H 1 2.0900 0.02 . 1 . . . . . . . . 4911 1
888 . 1 1 81 81 VAL CG1 C 13 22.3800 0.05 . 1 . . . . . . . . 4911 1
889 . 1 1 81 81 VAL HG11 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1
890 . 1 1 81 81 VAL HG12 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1
891 . 1 1 81 81 VAL HG13 H 1 0.8400 0.02 . 1 . . . . . . . . 4911 1
892 . 1 1 81 81 VAL CG2 C 13 19.5800 0.05 . 1 . . . . . . . . 4911 1
893 . 1 1 81 81 VAL HG21 H 1 0.8700 0.02 . 1 . . . . . . . . 4911 1
894 . 1 1 81 81 VAL HG22 H 1 0.8700 0.02 . 1 . . . . . . . . 4911 1
895 . 1 1 81 81 VAL HG23 H 1 0.8700 0.02 . 1 . . . . . . . . 4911 1
896 . 1 1 82 82 ALA N N 15 124.5700 0.05 . 1 . . . . . . . . 4911 1
897 . 1 1 82 82 ALA H H 1 8.5800 0.02 . 1 . . . . . . . . 4911 1
898 . 1 1 82 82 ALA CA C 13 51.0600 0.05 . 1 . . . . . . . . 4911 1
899 . 1 1 82 82 ALA HA H 1 5.0500 0.02 . 1 . . . . . . . . 4911 1
900 . 1 1 82 82 ALA CB C 13 23.6200 0.05 . 1 . . . . . . . . 4911 1
901 . 1 1 82 82 ALA HB1 H 1 1.5400 0.02 . 1 . . . . . . . . 4911 1
902 . 1 1 82 82 ALA HB2 H 1 1.5400 0.02 . 1 . . . . . . . . 4911 1
903 . 1 1 82 82 ALA HB3 H 1 1.5400 0.02 . 1 . . . . . . . . 4911 1
904 . 1 1 83 83 ILE N N 15 120.8000 0.05 . 1 . . . . . . . . 4911 1
905 . 1 1 83 83 ILE H H 1 9.1800 0.02 . 1 . . . . . . . . 4911 1
906 . 1 1 83 83 ILE CA C 13 61.8900 0.05 . 1 . . . . . . . . 4911 1
907 . 1 1 83 83 ILE HA H 1 4.7000 0.02 . 1 . . . . . . . . 4911 1
908 . 1 1 83 83 ILE CB C 13 40.0200 0.05 . 1 . . . . . . . . 4911 1
909 . 1 1 83 83 ILE HB H 1 0.2300 0.02 . 1 . . . . . . . . 4911 1
910 . 1 1 83 83 ILE CG1 C 13 29.2100 0.05 . 1 . . . . . . . . 4911 1
911 . 1 1 83 83 ILE HG13 H 1 1.1500 0.02 . 1 . . . . . . . . 4911 1
912 . 1 1 83 83 ILE HG12 H 1 0.7600 0.02 . 1 . . . . . . . . 4911 1
913 . 1 1 83 83 ILE CG2 C 13 19.2100 0.05 . 1 . . . . . . . . 4911 1
914 . 1 1 83 83 ILE HG21 H 1 0.3700 0.02 . 1 . . . . . . . . 4911 1
915 . 1 1 83 83 ILE HG22 H 1 0.3700 0.02 . 1 . . . . . . . . 4911 1
916 . 1 1 83 83 ILE HG23 H 1 0.3700 0.02 . 1 . . . . . . . . 4911 1
917 . 1 1 83 83 ILE CD1 C 13 15.3900 0.05 . 1 . . . . . . . . 4911 1
918 . 1 1 83 83 ILE HD11 H 1 0.4300 0.02 . 1 . . . . . . . . 4911 1
919 . 1 1 83 83 ILE HD12 H 1 0.4300 0.02 . 1 . . . . . . . . 4911 1
920 . 1 1 83 83 ILE HD13 H 1 0.4300 0.02 . 1 . . . . . . . . 4911 1
921 . 1 1 84 84 LEU N N 15 128.9600 0.05 . 1 . . . . . . . . 4911 1
922 . 1 1 84 84 LEU H H 1 9.3800 0.02 . 1 . . . . . . . . 4911 1
923 . 1 1 84 84 LEU CA C 13 53.9800 0.05 . 1 . . . . . . . . 4911 1
924 . 1 1 84 84 LEU HA H 1 5.3100 0.02 . 1 . . . . . . . . 4911 1
925 . 1 1 84 84 LEU CB C 13 45.9800 0.05 . 1 . . . . . . . . 4911 1
926 . 1 1 84 84 LEU HB2 H 1 1.3730 0.02 . 1 . . . . . . . . 4911 1
927 . 1 1 84 84 LEU HB3 H 1 2.0800 0.02 . 1 . . . . . . . . 4911 1
928 . 1 1 84 84 LEU HG H 1 1.7000 0.02 . 1 . . . . . . . . 4911 1
929 . 1 1 84 84 LEU CD1 C 13 26.1400 0.05 . 1 . . . . . . . . 4911 1
930 . 1 1 84 84 LEU HD11 H 1 0.8350 0.02 . 1 . . . . . . . . 4911 1
931 . 1 1 84 84 LEU HD12 H 1 0.8350 0.02 . 1 . . . . . . . . 4911 1
932 . 1 1 84 84 LEU HD13 H 1 0.8350 0.02 . 1 . . . . . . . . 4911 1
933 . 1 1 84 84 LEU CD2 C 13 27.0300 0.05 . 1 . . . . . . . . 4911 1
934 . 1 1 84 84 LEU HD21 H 1 0.9100 0.02 . 1 . . . . . . . . 4911 1
935 . 1 1 84 84 LEU HD22 H 1 0.9100 0.02 . 1 . . . . . . . . 4911 1
936 . 1 1 84 84 LEU HD23 H 1 0.9100 0.02 . 1 . . . . . . . . 4911 1
937 . 1 1 85 85 LEU N N 15 130.5500 0.05 . 1 . . . . . . . . 4911 1
938 . 1 1 85 85 LEU H H 1 8.8700 0.02 . 1 . . . . . . . . 4911 1
939 . 1 1 85 85 LEU CA C 13 54.4300 0.05 . 1 . . . . . . . . 4911 1
940 . 1 1 85 85 LEU HA H 1 5.5600 0.02 . 1 . . . . . . . . 4911 1
941 . 1 1 85 85 LEU CB C 13 46.9800 0.05 . 1 . . . . . . . . 4911 1
942 . 1 1 85 85 LEU HB2 H 1 1.03 0.02 . 1 . . . . . . . . 4911 1
943 . 1 1 85 85 LEU HB3 H 1 1.8500 0.02 . 1 . . . . . . . . 4911 1
944 . 1 1 85 85 LEU CG C 13 27.7200 0.05 . 1 . . . . . . . . 4911 1
945 . 1 1 85 85 LEU HG H 1 1.3600 0.02 . 1 . . . . . . . . 4911 1
946 . 1 1 85 85 LEU CD1 C 13 23.0600 0.05 . 1 . . . . . . . . 4911 1
947 . 1 1 85 85 LEU HD11 H 1 0.7200 0.02 . 1 . . . . . . . . 4911 1
948 . 1 1 85 85 LEU HD12 H 1 0.7200 0.02 . 1 . . . . . . . . 4911 1
949 . 1 1 85 85 LEU HD13 H 1 0.7200 0.02 . 1 . . . . . . . . 4911 1
950 . 1 1 85 85 LEU CD2 C 13 24.1200 0.05 . 1 . . . . . . . . 4911 1
951 . 1 1 85 85 LEU HD21 H 1 -0.4600 0.02 . 1 . . . . . . . . 4911 1
952 . 1 1 85 85 LEU HD22 H 1 -0.4600 0.02 . 1 . . . . . . . . 4911 1
953 . 1 1 85 85 LEU HD23 H 1 -0.4600 0.02 . 1 . . . . . . . . 4911 1
954 . 1 1 86 86 PHE N N 15 120.9800 0.05 . 1 . . . . . . . . 4911 1
955 . 1 1 86 86 PHE H H 1 8.6500 0.02 . 1 . . . . . . . . 4911 1
956 . 1 1 86 86 PHE CA C 13 56.4200 0.05 . 1 . . . . . . . . 4911 1
957 . 1 1 86 86 PHE HA H 1 5.7180 0.02 . 1 . . . . . . . . 4911 1
958 . 1 1 86 86 PHE CB C 13 42.5000 0.05 . 1 . . . . . . . . 4911 1
959 . 1 1 86 86 PHE HB2 H 1 3.3000 0.02 . 1 . . . . . . . . 4911 1
960 . 1 1 86 86 PHE HB3 H 1 3.3000 0.02 . 1 . . . . . . . . 4911 1
961 . 1 1 86 86 PHE HE1 H 1 6.5700 0.02 . 1 . . . . . . . . 4911 1
962 . 1 1 86 86 PHE HE2 H 1 6.5700 0.02 . 1 . . . . . . . . 4911 1
963 . 1 1 86 86 PHE HD1 H 1 6.8800 0.02 . 1 . . . . . . . . 4911 1
964 . 1 1 86 86 PHE HD2 H 1 6.8800 0.02 . 1 . . . . . . . . 4911 1
965 . 1 1 86 86 PHE HZ H 1 7.2300 0.02 . 1 . . . . . . . . 4911 1
966 . 1 1 87 87 LYS N N 15 123.1200 0.05 . 1 . . . . . . . . 4911 1
967 . 1 1 87 87 LYS H H 1 7.4840 0.02 . 1 . . . . . . . . 4911 1
968 . 1 1 87 87 LYS CA C 13 54.4300 0.05 . 1 . . . . . . . . 4911 1
969 . 1 1 87 87 LYS HA H 1 4.5600 0.02 . 1 . . . . . . . . 4911 1
970 . 1 1 87 87 LYS CB C 13 37.4100 0.05 . 1 . . . . . . . . 4911 1
971 . 1 1 87 87 LYS HB3 H 1 0.9000 0.02 . 1 . . . . . . . . 4911 1
972 . 1 1 87 87 LYS HB2 H 1 -0.8400 0.02 . 1 . . . . . . . . 4911 1
973 . 1 1 87 87 LYS HG2 H 1 0.1400 0.02 . 1 . . . . . . . . 4911 1
974 . 1 1 87 87 LYS HD2 H 1 0.7300 0.02 . 1 . . . . . . . . 4911 1
975 . 1 1 87 87 LYS HE2 H 1 2.525 0.02 . 1 . . . . . . . . 4911 1
976 . 1 1 87 87 LYS HE3 H 1 2.656 0.02 . 1 . . . . . . . . 4911 1
977 . 1 1 88 88 SER N N 15 119.9500 0.05 . 1 . . . . . . . . 4911 1
978 . 1 1 88 88 SER H H 1 8.3700 0.02 . 1 . . . . . . . . 4911 1
979 . 1 1 88 88 SER CA C 13 60.3900 0.05 . 1 . . . . . . . . 4911 1
980 . 1 1 88 88 SER HA H 1 4.6250 0.02 . 1 . . . . . . . . 4911 1
981 . 1 1 88 88 SER CB C 13 65.3600 0.05 . 1 . . . . . . . . 4911 1
982 . 1 1 88 88 SER HB2 H 1 3.6900 0.02 . 1 . . . . . . . . 4911 1
983 . 1 1 88 88 SER HB3 H 1 3.6900 0.02 . 1 . . . . . . . . 4911 1
984 . 1 1 89 89 GLY N N 15 123.6000 0.05 . 1 . . . . . . . . 4911 1
985 . 1 1 89 89 GLY H H 1 8.6580 0.02 . 1 . . . . . . . . 4911 1
986 . 1 1 89 89 GLY CA C 13 46.5200 0.05 . 1 . . . . . . . . 4911 1
987 . 1 1 89 89 GLY HA3 H 1 3.9100 0.02 . 1 . . . . . . . . 4911 1
988 . 1 1 89 89 GLY HA2 H 1 3.6200 0.02 . 1 . . . . . . . . 4911 1
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