data_5326
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 5326
_Entry.Title
;
Structure of ALA24/ASP61 to ASP24/ASN61 substituted subunit C of Escherichia
coli ATP synthase. Implications for the mechanism of proton transport and rotary
movement in the F0 complex
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2002-03-18
_Entry.Accession_date 2002-03-18
_Entry.Last_release_date 2002-06-13
_Entry.Original_release_date 2002-06-13
_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 Oleg Dmitriev . Y . 5326
2 Frits Abildgaard . . . 5326
3 John Markley . L . 5326
4 Robert Fillingame . H . 5326
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 5326
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 349 5326
'15N chemical shifts' 83 5326
'1H chemical shifts' 557 5326
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 . . 2002-06-13 2002-03-18 original author . 5326
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 1L6T 'BMRB Entry Tracking System' 5326
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 5326
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code 21966003
_Citation.DOI .
_Citation.PubMed_ID 11969414
_Citation.Full_citation .
_Citation.Title
;
Structure of Ala24/Asp61 --> Asp24/Asn61 Substituted Subunit C of Escherichia
coli ATP Synthase: Implications for the Mechanism of Proton Transport and
Rotary Movement in the F0 Complex
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev Biochemistry
_Citation.Journal_name_full .
_Citation.Journal_volume 41
_Citation.Journal_issue 17
_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 5537
_Citation.Page_last 5547
_Citation.Year 2002
_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 Oleg Dmitriev . Y . 5326 1
2 Frits Abildgaard . . . 5326 1
3 John Markley . L . 5326 1
4 Robert Fillingame . H . 5326 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_subunit_c
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_subunit_c
_Assembly.Entry_ID 5326
_Assembly.ID 1
_Assembly.Name 'D24N61 mutant of ATP Synthase subunit c'
_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 'not present'
_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
monomer 5326 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 'subunit c' 1 $subunit_c . . . native . . . . . 5326 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 1L6T . . . . . . 5326 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
'D24N61 mutant of ATP Synthase subunit c' system 5326 1
'subunit c' abbreviation 5326 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_subunit_c
_Entity.Sf_category entity
_Entity.Sf_framecode subunit_c
_Entity.Entry_ID 5326
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'subunit c'
_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
;
MENLNMDLLYMAAAVMMGLA
AIGDAIGIGILGGKFLEGAA
RQPDLIPLLRTQFFIVMGLV
NAIPMIAVGLGLYVMFAVA
;
_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 79
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-01-28
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no BMRB 10021 . subunit_c . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
2 no BMRB 15564 . subunit_c_of_E._coli_F1F0_ATP_synthas . . . . . 100.00 79 98.73 98.73 2.61e-43 . . . . 5326 1
3 no BMRB 4146 . F1Fo-ATP-c . . . . . 98.73 79 97.44 98.72 6.74e-42 . . . . 5326 1
4 no BMRB 4151 . F1FO-ATP-c . . . . . 98.73 79 97.44 98.72 6.74e-42 . . . . 5326 1
5 no PDB 1A91 . "Subunit C Of The F1fo Atp Synthase Of Escherichia Coli; Nmr, 10 Structures" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
6 no PDB 1C0V . "Subunit C Of The F1fo Atp Synthase Of Escherichia Coli; Nmr, 10 Structures" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
7 no PDB 1C17 . "A1c12 Subcomplex Of F1fo Atp Synthase" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
8 no PDB 1C99 . "Asp61 Deprotonated Form Of Subunit C Of The F1fo Atp Synthase Of Escherichia Coli" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
9 no PDB 1L6T . "Structure Of Ala24ASP61 TO ASP24ASN61 SUBSTITUTED SUBUNIT C Of Escherichia Coli Atp Synthase" . . . . . 98.73 79 100.00 100.00 8.24e-44 . . . . 5326 1
10 no PDB 1QO1 . "Molecular Architecture Of The Rotary Motor In Atp Synthase From Yeast Mitochondria" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
11 no PDB 4UTQ . "A Structural Model Of The Active Ribosome-bound Membrane Protein Insertase Yidc" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
12 no DBJ BAB38102 . "membrane-bound ATP synthase subunit c AtpE [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
13 no DBJ BAE75684 . "ATP synthase subunit C [Sodalis glossinidius str. 'morsitans']" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
14 no DBJ BAE77551 . "F0 sector of membrane-bound ATP synthase, subunit c [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
15 no DBJ BAG79551 . "ATP synthase subunit C [Escherichia coli SE11]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
16 no DBJ BAH65925 . "ATP synthase subunit C [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
17 no EMBL CAA23515 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
18 no EMBL CAA23522 . "atpE [Escherichia coli]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
19 no EMBL CAA24752 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
20 no EMBL CAA25777 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
21 no EMBL CAD03125 . "ATP synthase subunit C [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
22 no GB AAA23668 . "dicyclohexylcarbodiimide-binding protein [Escherichia coli]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
23 no GB AAA24732 . "ATP synthase c subunit [Escherichia coli]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
24 no GB AAA62089 . "ATP synthase F0 subunit c; DCCD-binding protein [Escherichia coli]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
25 no GB AAA83870 . "integral membrane proton channel F0 subunit C [Escherichia coli]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
26 no GB AAC76760 . "F0 sector of membrane-bound ATP synthase, subunit c [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
27 no PIR AI0953 . "ATP synthase chain C [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
28 no REF NP_290376 . "ATP synthase F0F1 subunit C [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
29 no REF NP_312706 . "ATP synthase F0F1 subunit C [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
30 no REF NP_418193 . "F0 sector of membrane-bound ATP synthase, subunit c [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
31 no REF NP_458073 . "ATP synthase subunit C [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
32 no REF NP_462769 . "F0F1 ATP synthase subunit C [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
33 no SP A4TSI8 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
34 no SP A4WGF0 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
35 no SP A6TG41 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
36 no SP A7FPE5 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
37 no SP A7MMV9 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
D24N61 variant 5326 1
'subunit c' abbreviation 5326 1
'subunit c' common 5326 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 . 5326 1
2 . GLU . 5326 1
3 . ASN . 5326 1
4 . LEU . 5326 1
5 . ASN . 5326 1
6 . MET . 5326 1
7 . ASP . 5326 1
8 . LEU . 5326 1
9 . LEU . 5326 1
10 . TYR . 5326 1
11 . MET . 5326 1
12 . ALA . 5326 1
13 . ALA . 5326 1
14 . ALA . 5326 1
15 . VAL . 5326 1
16 . MET . 5326 1
17 . MET . 5326 1
18 . GLY . 5326 1
19 . LEU . 5326 1
20 . ALA . 5326 1
21 . ALA . 5326 1
22 . ILE . 5326 1
23 . GLY . 5326 1
24 . ASP . 5326 1
25 . ALA . 5326 1
26 . ILE . 5326 1
27 . GLY . 5326 1
28 . ILE . 5326 1
29 . GLY . 5326 1
30 . ILE . 5326 1
31 . LEU . 5326 1
32 . GLY . 5326 1
33 . GLY . 5326 1
34 . LYS . 5326 1
35 . PHE . 5326 1
36 . LEU . 5326 1
37 . GLU . 5326 1
38 . GLY . 5326 1
39 . ALA . 5326 1
40 . ALA . 5326 1
41 . ARG . 5326 1
42 . GLN . 5326 1
43 . PRO . 5326 1
44 . ASP . 5326 1
45 . LEU . 5326 1
46 . ILE . 5326 1
47 . PRO . 5326 1
48 . LEU . 5326 1
49 . LEU . 5326 1
50 . ARG . 5326 1
51 . THR . 5326 1
52 . GLN . 5326 1
53 . PHE . 5326 1
54 . PHE . 5326 1
55 . ILE . 5326 1
56 . VAL . 5326 1
57 . MET . 5326 1
58 . GLY . 5326 1
59 . LEU . 5326 1
60 . VAL . 5326 1
61 . ASN . 5326 1
62 . ALA . 5326 1
63 . ILE . 5326 1
64 . PRO . 5326 1
65 . MET . 5326 1
66 . ILE . 5326 1
67 . ALA . 5326 1
68 . VAL . 5326 1
69 . GLY . 5326 1
70 . LEU . 5326 1
71 . GLY . 5326 1
72 . LEU . 5326 1
73 . TYR . 5326 1
74 . VAL . 5326 1
75 . MET . 5326 1
76 . PHE . 5326 1
77 . ALA . 5326 1
78 . VAL . 5326 1
79 . ALA . 5326 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 5326 1
. GLU 2 2 5326 1
. ASN 3 3 5326 1
. LEU 4 4 5326 1
. ASN 5 5 5326 1
. MET 6 6 5326 1
. ASP 7 7 5326 1
. LEU 8 8 5326 1
. LEU 9 9 5326 1
. TYR 10 10 5326 1
. MET 11 11 5326 1
. ALA 12 12 5326 1
. ALA 13 13 5326 1
. ALA 14 14 5326 1
. VAL 15 15 5326 1
. MET 16 16 5326 1
. MET 17 17 5326 1
. GLY 18 18 5326 1
. LEU 19 19 5326 1
. ALA 20 20 5326 1
. ALA 21 21 5326 1
. ILE 22 22 5326 1
. GLY 23 23 5326 1
. ASP 24 24 5326 1
. ALA 25 25 5326 1
. ILE 26 26 5326 1
. GLY 27 27 5326 1
. ILE 28 28 5326 1
. GLY 29 29 5326 1
. ILE 30 30 5326 1
. LEU 31 31 5326 1
. GLY 32 32 5326 1
. GLY 33 33 5326 1
. LYS 34 34 5326 1
. PHE 35 35 5326 1
. LEU 36 36 5326 1
. GLU 37 37 5326 1
. GLY 38 38 5326 1
. ALA 39 39 5326 1
. ALA 40 40 5326 1
. ARG 41 41 5326 1
. GLN 42 42 5326 1
. PRO 43 43 5326 1
. ASP 44 44 5326 1
. LEU 45 45 5326 1
. ILE 46 46 5326 1
. PRO 47 47 5326 1
. LEU 48 48 5326 1
. LEU 49 49 5326 1
. ARG 50 50 5326 1
. THR 51 51 5326 1
. GLN 52 52 5326 1
. PHE 53 53 5326 1
. PHE 54 54 5326 1
. ILE 55 55 5326 1
. VAL 56 56 5326 1
. MET 57 57 5326 1
. GLY 58 58 5326 1
. LEU 59 59 5326 1
. VAL 60 60 5326 1
. ASN 61 61 5326 1
. ALA 62 62 5326 1
. ILE 63 63 5326 1
. PRO 64 64 5326 1
. MET 65 65 5326 1
. ILE 66 66 5326 1
. ALA 67 67 5326 1
. VAL 68 68 5326 1
. GLY 69 69 5326 1
. LEU 70 70 5326 1
. GLY 71 71 5326 1
. LEU 72 72 5326 1
. TYR 73 73 5326 1
. VAL 74 74 5326 1
. MET 75 75 5326 1
. PHE 76 76 5326 1
. ALA 77 77 5326 1
. VAL 78 78 5326 1
. ALA 79 79 5326 1
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 5326
_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 $subunit_c . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli JH618 . . . . . . . . . . . . . . . uncE . . . . 5326 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 5326
_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 $subunit_c . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 5326
_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 'subunit c' '[U-98% 13C; U-98% 15N]' . . 1 $subunit_c . . 2.0 . . mM . . . . 5326 1
2 CDCl3 . . . . . . . 44.4 . . '% v/v' . . . . 5326 1
3 CD3OH . . . . . . . 44.4 . . '% v/v' . . . . 5326 1
4 H20 . . . . . . . 11.1 . . '% v/v' . . . . 5326 1
stop_
save_
#######################
# Sample conditions #
#######################
save_Ex-cond_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode Ex-cond_1
_Sample_condition_list.Entry_ID 5326
_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 5.0 0.3 n/a 5326 1
temperature 300 0.5 K 5326 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer
_NMR_spectrometer.Entry_ID 5326
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer BRUKER
_NMR_spectrometer.Model DMX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 5326
_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 BRUKER DMX . 500 . . . 5326 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 5326
_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 HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1
2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1
3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1
4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1
5 HCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1
6 HN(CO)CACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1
7 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1
8 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1
9 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1
10 HC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1
11 TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1
12 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1
13 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1
14 '1H-13C-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1
15 '1H-13C-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1
16 NOE-HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 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 5326
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name HSQC
_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 5326
_NMR_spec_expt.ID 2
_NMR_spec_expt.Name HNCO
_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_3
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3
_NMR_spec_expt.Entry_ID 5326
_NMR_spec_expt.ID 3
_NMR_spec_expt.Name HNCA
_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_4
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4
_NMR_spec_expt.Entry_ID 5326
_NMR_spec_expt.ID 4
_NMR_spec_expt.Name CBCA(CO)NH
_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_5
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5
_NMR_spec_expt.Entry_ID 5326
_NMR_spec_expt.ID 5
_NMR_spec_expt.Name HCACO
_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_6
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6
_NMR_spec_expt.Entry_ID 5326
_NMR_spec_expt.ID 6
_NMR_spec_expt.Name HN(CO)CACB
_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_7
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7
_NMR_spec_expt.Entry_ID 5326
_NMR_spec_expt.ID 7
_NMR_spec_expt.Name HN(CO)CA
_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_8
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8
_NMR_spec_expt.Entry_ID 5326
_NMR_spec_expt.ID 8
_NMR_spec_expt.Name HCCH-COSY
_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_9
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9
_NMR_spec_expt.Entry_ID 5326
_NMR_spec_expt.ID 9
_NMR_spec_expt.Name HCCH-TOCSY
_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_10
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10
_NMR_spec_expt.Entry_ID 5326
_NMR_spec_expt.ID 10
_NMR_spec_expt.Name HC(CO)NH
_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_11
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11
_NMR_spec_expt.Entry_ID 5326
_NMR_spec_expt.ID 11
_NMR_spec_expt.Name TOCSY-HSQC
_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_12
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12
_NMR_spec_expt.Entry_ID 5326
_NMR_spec_expt.ID 12
_NMR_spec_expt.Name '1H-13C NOESY'
_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_13
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13
_NMR_spec_expt.Entry_ID 5326
_NMR_spec_expt.ID 13
_NMR_spec_expt.Name '1H-15N NOESY'
_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_14
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14
_NMR_spec_expt.Entry_ID 5326
_NMR_spec_expt.ID 14
_NMR_spec_expt.Name '1H-13C-13C NOESY'
_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_15
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15
_NMR_spec_expt.Entry_ID 5326
_NMR_spec_expt.ID 15
_NMR_spec_expt.Name '1H-13C-15N NOESY'
_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_16
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16
_NMR_spec_expt.Entry_ID 5326
_NMR_spec_expt.ID 16
_NMR_spec_expt.Name NOE-HNCO
_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 5326
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 TMS 'methyl protons' . . . . ppm 0.00 internal indirect 0.25145002 internal cylindrical parallel . . . . . . 5326 1
H 1 TMS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 internal cylindrical parallel . . . . . . 5326 1
N 15 TMS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329144 internal cylindrical parallel . . . . . . 5326 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_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_1
_Assigned_chem_shift_list.Entry_ID 5326
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . 5326 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 H H 1 8.61 0.015 . 1 . . . . . . . . 5326 1
2 . 1 1 1 1 MET HA H 1 4.48 0.03 . 1 . . . . . . . . 5326 1
3 . 1 1 1 1 MET HB2 H 1 2.04 0.03 . 2 . . . . . . . . 5326 1
4 . 1 1 1 1 MET HB3 H 1 2.14 0.03 . 2 . . . . . . . . 5326 1
5 . 1 1 1 1 MET HG2 H 1 2.58 0.03 . 2 . . . . . . . . 5326 1
6 . 1 1 1 1 MET HG3 H 1 2.64 0.03 . 2 . . . . . . . . 5326 1
7 . 1 1 1 1 MET C C 13 176.4 0.3 . 1 . . . . . . . . 5326 1
8 . 1 1 1 1 MET CA C 13 55.4 0.3 . 1 . . . . . . . . 5326 1
9 . 1 1 1 1 MET CB C 13 33.1 0.3 . 1 . . . . . . . . 5326 1
10 . 1 1 1 1 MET CG C 13 32.9 0.3 . 1 . . . . . . . . 5326 1
11 . 1 1 1 1 MET N N 15 127.3 0.2 . 1 . . . . . . . . 5326 1
12 . 1 1 2 2 GLU H H 1 8.82 0.015 . 1 . . . . . . . . 5326 1
13 . 1 1 2 2 GLU HA H 1 4.28 0.03 . 1 . . . . . . . . 5326 1
14 . 1 1 2 2 GLU HB2 H 1 2.08 0.03 . 1 . . . . . . . . 5326 1
15 . 1 1 2 2 GLU HB3 H 1 2.08 0.03 . 1 . . . . . . . . 5326 1
16 . 1 1 2 2 GLU HG2 H 1 2.43 0.03 . 1 . . . . . . . . 5326 1
17 . 1 1 2 2 GLU HG3 H 1 2.43 0.03 . 1 . . . . . . . . 5326 1
18 . 1 1 2 2 GLU C C 13 175.9 0.3 . 1 . . . . . . . . 5326 1
19 . 1 1 2 2 GLU CA C 13 57.9 0.3 . 1 . . . . . . . . 5326 1
20 . 1 1 2 2 GLU CB C 13 28.5 0.3 . 1 . . . . . . . . 5326 1
21 . 1 1 2 2 GLU CG C 13 34.0 0.3 . 1 . . . . . . . . 5326 1
22 . 1 1 2 2 GLU N N 15 119.6 0.2 . 1 . . . . . . . . 5326 1
23 . 1 1 3 3 ASN H H 1 8.13 0.015 . 1 . . . . . . . . 5326 1
24 . 1 1 3 3 ASN HA H 1 4.60 0.03 . 1 . . . . . . . . 5326 1
25 . 1 1 3 3 ASN HB2 H 1 2.76 0.03 . 2 . . . . . . . . 5326 1
26 . 1 1 3 3 ASN HB3 H 1 2.88 0.03 . 2 . . . . . . . . 5326 1
27 . 1 1 3 3 ASN HD21 H 1 6.85 0.03 . 2 . . . . . . . . 5326 1
28 . 1 1 3 3 ASN HD22 H 1 7.67 0.03 . 2 . . . . . . . . 5326 1
29 . 1 1 3 3 ASN ND2 N 15 110.7 0.2 . 1 . . . . . . . . 5326 1
30 . 1 1 3 3 ASN C C 13 175.8 0.3 . 1 . . . . . . . . 5326 1
31 . 1 1 3 3 ASN CA C 13 54.6 0.3 . 1 . . . . . . . . 5326 1
32 . 1 1 3 3 ASN CB C 13 38.9 0.3 . 1 . . . . . . . . 5326 1
33 . 1 1 3 3 ASN N N 15 118.0 0.2 . 1 . . . . . . . . 5326 1
34 . 1 1 4 4 LEU H H 1 8.11 0.015 . 1 . . . . . . . . 5326 1
35 . 1 1 4 4 LEU HA H 1 4.19 0.03 . 1 . . . . . . . . 5326 1
36 . 1 1 4 4 LEU HB2 H 1 1.70 0.03 . 2 . . . . . . . . 5326 1
37 . 1 1 4 4 LEU HB3 H 1 1.73 0.03 . 2 . . . . . . . . 5326 1
38 . 1 1 4 4 LEU HG H 1 1.70 0.03 . 1 . . . . . . . . 5326 1
39 . 1 1 4 4 LEU HD11 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
40 . 1 1 4 4 LEU HD12 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
41 . 1 1 4 4 LEU HD13 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
42 . 1 1 4 4 LEU C C 13 177.8 0.3 . 1 . . . . . . . . 5326 1
43 . 1 1 4 4 LEU CA C 13 57.9 0.3 . 1 . . . . . . . . 5326 1
44 . 1 1 4 4 LEU CB C 13 42.2 0.3 . 1 . . . . . . . . 5326 1
45 . 1 1 4 4 LEU CG C 13 27.6 0.3 . 1 . . . . . . . . 5326 1
46 . 1 1 4 4 LEU CD1 C 13 24.9 0.3 . 1 . . . . . . . . 5326 1
47 . 1 1 4 4 LEU N N 15 122.1 0.2 . 1 . . . . . . . . 5326 1
48 . 1 1 5 5 ASN H H 1 8.04 0.015 . 1 . . . . . . . . 5326 1
49 . 1 1 5 5 ASN HA H 1 4.46 0.03 . 1 . . . . . . . . 5326 1
50 . 1 1 5 5 ASN HB2 H 1 2.76 0.03 . 2 . . . . . . . . 5326 1
51 . 1 1 5 5 ASN HB3 H 1 2.90 0.03 . 2 . . . . . . . . 5326 1
52 . 1 1 5 5 ASN ND2 N 15 108.7 0.2 . 1 . . . . . . . . 5326 1
53 . 1 1 5 5 ASN HD21 H 1 6.59 0.03 . 2 . . . . . . . . 5326 1
54 . 1 1 5 5 ASN HD22 H 1 7.44 0.03 . 2 . . . . . . . . 5326 1
55 . 1 1 5 5 ASN C C 13 177.3 0.3 . 1 . . . . . . . . 5326 1
56 . 1 1 5 5 ASN CA C 13 56.5 0.3 . 1 . . . . . . . . 5326 1
57 . 1 1 5 5 ASN CB C 13 38.5 0.3 . 1 . . . . . . . . 5326 1
58 . 1 1 5 5 ASN N N 15 115.8 0.2 . 1 . . . . . . . . 5326 1
59 . 1 1 6 6 MET H H 1 7.93 0.015 . 1 . . . . . . . . 5326 1
60 . 1 1 6 6 MET HA H 1 4.24 0.03 . 1 . . . . . . . . 5326 1
61 . 1 1 6 6 MET HB2 H 1 2.15 0.03 . 2 . . . . . . . . 5326 1
62 . 1 1 6 6 MET HG2 H 1 2.58 0.03 . 2 . . . . . . . . 5326 1
63 . 1 1 6 6 MET HG3 H 1 2.65 0.03 . 2 . . . . . . . . 5326 1
64 . 1 1 6 6 MET C C 13 177.5 0.3 . 1 . . . . . . . . 5326 1
65 . 1 1 6 6 MET CA C 13 57.9 0.3 . 1 . . . . . . . . 5326 1
66 . 1 1 6 6 MET CB C 13 32.3 0.3 . 1 . . . . . . . . 5326 1
67 . 1 1 6 6 MET CG C 13 32.8 0.3 . 1 . . . . . . . . 5326 1
68 . 1 1 6 6 MET N N 15 118.1 0.2 . 1 . . . . . . . . 5326 1
69 . 1 1 7 7 ASP H H 1 8.12 0.015 . 1 . . . . . . . . 5326 1
70 . 1 1 7 7 ASP HA H 1 4.48 0.03 . 1 . . . . . . . . 5326 1
71 . 1 1 7 7 ASP HB2 H 1 2.82 0.03 . 2 . . . . . . . . 5326 1
72 . 1 1 7 7 ASP HB3 H 1 3.15 0.03 . 2 . . . . . . . . 5326 1
73 . 1 1 7 7 ASP C C 13 177.3 0.3 . 1 . . . . . . . . 5326 1
74 . 1 1 7 7 ASP CA C 13 56.7 0.3 . 1 . . . . . . . . 5326 1
75 . 1 1 7 7 ASP CB C 13 37.9 0.3 . 1 . . . . . . . . 5326 1
76 . 1 1 7 7 ASP N N 15 117.9 0.2 . 1 . . . . . . . . 5326 1
77 . 1 1 8 8 LEU H H 1 8.08 0.015 . 1 . . . . . . . . 5326 1
78 . 1 1 8 8 LEU HA H 1 4.13 0.03 . 1 . . . . . . . . 5326 1
79 . 1 1 8 8 LEU HB2 H 1 1.67 0.03 . 2 . . . . . . . . 5326 1
80 . 1 1 8 8 LEU HB3 H 1 1.93 0.03 . 2 . . . . . . . . 5326 1
81 . 1 1 8 8 LEU HG H 1 1.92 0.03 . 1 . . . . . . . . 5326 1
82 . 1 1 8 8 LEU HD11 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
83 . 1 1 8 8 LEU HD12 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
84 . 1 1 8 8 LEU HD13 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
85 . 1 1 8 8 LEU HD21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
86 . 1 1 8 8 LEU HD22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
87 . 1 1 8 8 LEU HD23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
88 . 1 1 8 8 LEU C C 13 178.6 0.3 . 1 . . . . . . . . 5326 1
89 . 1 1 8 8 LEU CA C 13 58.4 0.3 . 1 . . . . . . . . 5326 1
90 . 1 1 8 8 LEU CB C 13 42.0 0.3 . 1 . . . . . . . . 5326 1
91 . 1 1 8 8 LEU CG C 13 27.3 0.3 . 1 . . . . . . . . 5326 1
92 . 1 1 8 8 LEU CD1 C 13 23.9 0.3 . 1 . . . . . . . . 5326 1
93 . 1 1 8 8 LEU CD2 C 13 25.8 0.3 . 1 . . . . . . . . 5326 1
94 . 1 1 8 8 LEU N N 15 119.3 0.2 . 1 . . . . . . . . 5326 1
95 . 1 1 9 9 LEU H H 1 7.75 0.015 . 1 . . . . . . . . 5326 1
96 . 1 1 9 9 LEU HA H 1 4.11 0.03 . 1 . . . . . . . . 5326 1
97 . 1 1 9 9 LEU HB2 H 1 1.70 0.03 . 2 . . . . . . . . 5326 1
98 . 1 1 9 9 LEU HB3 H 1 1.87 0.03 . 2 . . . . . . . . 5326 1
99 . 1 1 9 9 LEU HG H 1 1.83 0.03 . 1 . . . . . . . . 5326 1
100 . 1 1 9 9 LEU HD11 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1
101 . 1 1 9 9 LEU HD12 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1
102 . 1 1 9 9 LEU HD13 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1
103 . 1 1 9 9 LEU HD21 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
104 . 1 1 9 9 LEU HD22 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
105 . 1 1 9 9 LEU HD23 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
106 . 1 1 9 9 LEU C C 13 178.8 0.3 . 1 . . . . . . . . 5326 1
107 . 1 1 9 9 LEU CA C 13 58.4 0.3 . 1 . . . . . . . . 5326 1
108 . 1 1 9 9 LEU CB C 13 41.8 0.3 . 1 . . . . . . . . 5326 1
109 . 1 1 9 9 LEU CG C 13 27.4 0.3 . 1 . . . . . . . . 5326 1
110 . 1 1 9 9 LEU CD1 C 13 25.4 0.3 . 1 . . . . . . . . 5326 1
111 . 1 1 9 9 LEU CD2 C 13 24.4 0.3 . 1 . . . . . . . . 5326 1
112 . 1 1 9 9 LEU N N 15 119.4 0.2 . 1 . . . . . . . . 5326 1
113 . 1 1 10 10 TYR H H 1 8.26 0.015 . 1 . . . . . . . . 5326 1
114 . 1 1 10 10 TYR HA H 1 4.24 0.03 . 1 . . . . . . . . 5326 1
115 . 1 1 10 10 TYR HB2 H 1 3.20 0.03 . 2 . . . . . . . . 5326 1
116 . 1 1 10 10 TYR HD1 H 1 7.13 0.03 . 1 . . . . . . . . 5326 1
117 . 1 1 10 10 TYR HD2 H 1 7.13 0.03 . 1 . . . . . . . . 5326 1
118 . 1 1 10 10 TYR HE1 H 1 6.76 0.03 . 1 . . . . . . . . 5326 1
119 . 1 1 10 10 TYR HE2 H 1 6.76 0.03 . 1 . . . . . . . . 5326 1
120 . 1 1 10 10 TYR C C 13 178.2 0.3 . 1 . . . . . . . . 5326 1
121 . 1 1 10 10 TYR CA C 13 61.5 0.3 . 1 . . . . . . . . 5326 1
122 . 1 1 10 10 TYR CB C 13 38.4 0.3 . 1 . . . . . . . . 5326 1
123 . 1 1 10 10 TYR CD1 C 13 132.7 0.3 . 1 . . . . . . . . 5326 1
124 . 1 1 10 10 TYR CD2 C 13 132.7 0.3 . 1 . . . . . . . . 5326 1
125 . 1 1 10 10 TYR CE1 C 13 117.8 0.3 . 1 . . . . . . . . 5326 1
126 . 1 1 10 10 TYR CE2 C 13 117.8 0.3 . 1 . . . . . . . . 5326 1
127 . 1 1 10 10 TYR N N 15 118.4 0.2 . 1 . . . . . . . . 5326 1
128 . 1 1 11 11 MET H H 1 8.25 0.015 . 1 . . . . . . . . 5326 1
129 . 1 1 11 11 MET HA H 1 4.15 0.03 . 1 . . . . . . . . 5326 1
130 . 1 1 11 11 MET HB2 H 1 2.26 0.03 . 2 . . . . . . . . 5326 1
131 . 1 1 11 11 MET HB3 H 1 2.33 0.03 . 2 . . . . . . . . 5326 1
132 . 1 1 11 11 MET HG2 H 1 2.65 0.03 . 2 . . . . . . . . 5326 1
133 . 1 1 11 11 MET HG3 H 1 2.80 0.03 . 2 . . . . . . . . 5326 1
134 . 1 1 11 11 MET C C 13 177.6 0.3 . 1 . . . . . . . . 5326 1
135 . 1 1 11 11 MET CA C 13 59.2 0.3 . 1 . . . . . . . . 5326 1
136 . 1 1 11 11 MET CB C 13 33.1 0.3 . 1 . . . . . . . . 5326 1
137 . 1 1 11 11 MET CG C 13 33.3 0.3 . 1 . . . . . . . . 5326 1
138 . 1 1 11 11 MET N N 15 117.7 0.2 . 1 . . . . . . . . 5326 1
139 . 1 1 12 12 ALA H H 1 8.45 0.015 . 1 . . . . . . . . 5326 1
140 . 1 1 12 12 ALA HA H 1 4.07 0.03 . 1 . . . . . . . . 5326 1
141 . 1 1 12 12 ALA HB1 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
142 . 1 1 12 12 ALA HB2 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
143 . 1 1 12 12 ALA HB3 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
144 . 1 1 12 12 ALA C C 13 179.3 0.3 . 1 . . . . . . . . 5326 1
145 . 1 1 12 12 ALA CA C 13 55.7 0.3 . 1 . . . . . . . . 5326 1
146 . 1 1 12 12 ALA CB C 13 18.4 0.3 . 1 . . . . . . . . 5326 1
147 . 1 1 12 12 ALA N N 15 120.9 0.2 . 1 . . . . . . . . 5326 1
148 . 1 1 13 13 ALA H H 1 8.29 0.015 . 1 . . . . . . . . 5326 1
149 . 1 1 13 13 ALA HA H 1 4.05 0.03 . 1 . . . . . . . . 5326 1
150 . 1 1 13 13 ALA HB1 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
151 . 1 1 13 13 ALA HB2 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
152 . 1 1 13 13 ALA HB3 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
153 . 1 1 13 13 ALA C C 13 179.2 0.3 . 1 . . . . . . . . 5326 1
154 . 1 1 13 13 ALA CA C 13 55.7 0.3 . 1 . . . . . . . . 5326 1
155 . 1 1 13 13 ALA CB C 13 18.5 0.3 . 1 . . . . . . . . 5326 1
156 . 1 1 13 13 ALA N N 15 119.8 0.2 . 1 . . . . . . . . 5326 1
157 . 1 1 14 14 ALA H H 1 8.21 0.015 . 1 . . . . . . . . 5326 1
158 . 1 1 14 14 ALA HA H 1 4.04 0.03 . 1 . . . . . . . . 5326 1
159 . 1 1 14 14 ALA HB1 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
160 . 1 1 14 14 ALA HB2 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
161 . 1 1 14 14 ALA HB3 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
162 . 1 1 14 14 ALA C C 13 180.6 0.3 . 1 . . . . . . . . 5326 1
163 . 1 1 14 14 ALA CA C 13 55.8 0.3 . 1 . . . . . . . . 5326 1
164 . 1 1 14 14 ALA CB C 13 18.4 0.3 . 1 . . . . . . . . 5326 1
165 . 1 1 14 14 ALA N N 15 120.5 0.2 . 1 . . . . . . . . 5326 1
166 . 1 1 15 15 VAL H H 1 8.33 0.015 . 1 . . . . . . . . 5326 1
167 . 1 1 15 15 VAL HA H 1 3.71 0.03 . 1 . . . . . . . . 5326 1
168 . 1 1 15 15 VAL HB H 1 2.28 0.03 . 1 . . . . . . . . 5326 1
169 . 1 1 15 15 VAL HG11 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
170 . 1 1 15 15 VAL HG12 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
171 . 1 1 15 15 VAL HG13 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
172 . 1 1 15 15 VAL HG21 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1
173 . 1 1 15 15 VAL HG22 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1
174 . 1 1 15 15 VAL HG23 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1
175 . 1 1 15 15 VAL C C 13 178.2 0.3 . 1 . . . . . . . . 5326 1
176 . 1 1 15 15 VAL CA C 13 67.0 0.3 . 1 . . . . . . . . 5326 1
177 . 1 1 15 15 VAL CB C 13 31.8 0.3 . 1 . . . . . . . . 5326 1
178 . 1 1 15 15 VAL CG1 C 13 21.8 0.3 . 2 . . . . . . . . 5326 1
179 . 1 1 15 15 VAL CG2 C 13 23.6 0.3 . 2 . . . . . . . . 5326 1
180 . 1 1 15 15 VAL N N 15 119.0 0.2 . 1 . . . . . . . . 5326 1
181 . 1 1 16 16 MET H H 1 8.34 0.015 . 1 . . . . . . . . 5326 1
182 . 1 1 16 16 MET HA H 1 4.14 0.03 . 1 . . . . . . . . 5326 1
183 . 1 1 16 16 MET HB2 H 1 2.20 0.03 . 2 . . . . . . . . 5326 1
184 . 1 1 16 16 MET HB3 H 1 2.30 0.03 . 2 . . . . . . . . 5326 1
185 . 1 1 16 16 MET HG2 H 1 2.63 0.03 . 2 . . . . . . . . 5326 1
186 . 1 1 16 16 MET HG3 H 1 2.78 0.03 . 2 . . . . . . . . 5326 1
187 . 1 1 16 16 MET C C 13 178.6 0.3 . 1 . . . . . . . . 5326 1
188 . 1 1 16 16 MET CA C 13 59.6 0.3 . 1 . . . . . . . . 5326 1
189 . 1 1 16 16 MET CB C 13 32.9 0.3 . 1 . . . . . . . . 5326 1
190 . 1 1 16 16 MET CG C 13 33.0 0.3 . 1 . . . . . . . . 5326 1
191 . 1 1 16 16 MET N N 15 118.5 0.2 . 1 . . . . . . . . 5326 1
192 . 1 1 17 17 MET H H 1 8.59 0.015 . 1 . . . . . . . . 5326 1
193 . 1 1 17 17 MET HA H 1 4.18 0.03 . 1 . . . . . . . . 5326 1
194 . 1 1 17 17 MET HB2 H 1 2.17 0.03 . 2 . . . . . . . . 5326 1
195 . 1 1 17 17 MET HB3 H 1 2.30 0.03 . 2 . . . . . . . . 5326 1
196 . 1 1 17 17 MET HG2 H 1 2.62 0.03 . 2 . . . . . . . . 5326 1
197 . 1 1 17 17 MET HG3 H 1 2.80 0.03 . 2 . . . . . . . . 5326 1
198 . 1 1 17 17 MET C C 13 178.7 0.3 . 1 . . . . . . . . 5326 1
199 . 1 1 17 17 MET CA C 13 59.2 0.3 . 1 . . . . . . . . 5326 1
200 . 1 1 17 17 MET CB C 13 33.1 0.3 . 1 . . . . . . . . 5326 1
201 . 1 1 17 17 MET CG C 13 33.2 0.3 . 1 . . . . . . . . 5326 1
202 . 1 1 17 17 MET N N 15 117.7 0.2 . 1 . . . . . . . . 5326 1
203 . 1 1 18 18 GLY H H 1 8.39 0.015 . 1 . . . . . . . . 5326 1
204 . 1 1 18 18 GLY HA3 H 1 3.89 0.03 . 2 . . . . . . . . 5326 1
205 . 1 1 18 18 GLY C C 13 175.4 0.3 . 1 . . . . . . . . 5326 1
206 . 1 1 18 18 GLY CA C 13 47.9 0.3 . 1 . . . . . . . . 5326 1
207 . 1 1 18 18 GLY N N 15 107.7 0.2 . 1 . . . . . . . . 5326 1
208 . 1 1 19 19 LEU H H 1 8.52 0.015 . 1 . . . . . . . . 5326 1
209 . 1 1 19 19 LEU HA H 1 4.13 0.03 . 1 . . . . . . . . 5326 1
210 . 1 1 19 19 LEU HB2 H 1 1.54 0.03 . 2 . . . . . . . . 5326 1
211 . 1 1 19 19 LEU HB3 H 1 2.03 0.03 . 2 . . . . . . . . 5326 1
212 . 1 1 19 19 LEU HG H 1 1.98 0.03 . 1 . . . . . . . . 5326 1
213 . 1 1 19 19 LEU HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
214 . 1 1 19 19 LEU HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
215 . 1 1 19 19 LEU HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
216 . 1 1 19 19 LEU HD21 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
217 . 1 1 19 19 LEU HD22 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
218 . 1 1 19 19 LEU HD23 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
219 . 1 1 19 19 LEU C C 13 179.7 0.3 . 1 . . . . . . . . 5326 1
220 . 1 1 19 19 LEU CA C 13 58.1 0.3 . 1 . . . . . . . . 5326 1
221 . 1 1 19 19 LEU CB C 13 42.0 0.3 . 1 . . . . . . . . 5326 1
222 . 1 1 19 19 LEU CG C 13 27.3 0.3 . 1 . . . . . . . . 5326 1
223 . 1 1 19 19 LEU CD1 C 13 23.9 0.3 . 2 . . . . . . . . 5326 1
224 . 1 1 19 19 LEU CD2 C 13 26.0 0.3 . 2 . . . . . . . . 5326 1
225 . 1 1 19 19 LEU N N 15 121.2 0.2 . 1 . . . . . . . . 5326 1
226 . 1 1 20 20 ALA H H 1 8.27 0.015 . 1 . . . . . . . . 5326 1
227 . 1 1 20 20 ALA HA H 1 4.14 0.03 . 1 . . . . . . . . 5326 1
228 . 1 1 20 20 ALA HB1 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
229 . 1 1 20 20 ALA HB2 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
230 . 1 1 20 20 ALA HB3 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
231 . 1 1 20 20 ALA C C 13 179.2 0.3 . 1 . . . . . . . . 5326 1
232 . 1 1 20 20 ALA CA C 13 55.7 0.3 . 1 . . . . . . . . 5326 1
233 . 1 1 20 20 ALA CB C 13 18.4 0.3 . 1 . . . . . . . . 5326 1
234 . 1 1 20 20 ALA N N 15 121.7 0.2 . 1 . . . . . . . . 5326 1
235 . 1 1 21 21 ALA H H 1 8.22 0.015 . 1 . . . . . . . . 5326 1
236 . 1 1 21 21 ALA HA H 1 4.18 0.03 . 1 . . . . . . . . 5326 1
237 . 1 1 21 21 ALA HB1 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
238 . 1 1 21 21 ALA HB2 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
239 . 1 1 21 21 ALA HB3 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
240 . 1 1 21 21 ALA C C 13 180.2 0.3 . 1 . . . . . . . . 5326 1
241 . 1 1 21 21 ALA CA C 13 55.7 0.3 . 1 . . . . . . . . 5326 1
242 . 1 1 21 21 ALA CB C 13 18.5 0.3 . 1 . . . . . . . . 5326 1
243 . 1 1 21 21 ALA N N 15 120.5 0.2 . 1 . . . . . . . . 5326 1
244 . 1 1 22 22 ILE H H 1 8.16 0.015 . 1 . . . . . . . . 5326 1
245 . 1 1 22 22 ILE HA H 1 3.78 0.03 . 1 . . . . . . . . 5326 1
246 . 1 1 22 22 ILE HB H 1 2.05 0.03 . 1 . . . . . . . . 5326 1
247 . 1 1 22 22 ILE HG12 H 1 1.18 0.03 . 2 . . . . . . . . 5326 1
248 . 1 1 22 22 ILE HG13 H 1 1.93 0.03 . 2 . . . . . . . . 5326 1
249 . 1 1 22 22 ILE HG21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
250 . 1 1 22 22 ILE HG22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
251 . 1 1 22 22 ILE HG23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
252 . 1 1 22 22 ILE HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
253 . 1 1 22 22 ILE HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
254 . 1 1 22 22 ILE HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
255 . 1 1 22 22 ILE C C 13 178.1 0.3 . 1 . . . . . . . . 5326 1
256 . 1 1 22 22 ILE CA C 13 65.3 0.3 . 1 . . . . . . . . 5326 1
257 . 1 1 22 22 ILE CB C 13 38.4 0.3 . 1 . . . . . . . . 5326 1
258 . 1 1 22 22 ILE CG1 C 13 29.6 0.3 . 2 . . . . . . . . 5326 1
259 . 1 1 22 22 ILE CG2 C 13 17.7 0.3 . 2 . . . . . . . . 5326 1
260 . 1 1 22 22 ILE CD1 C 13 13.6 0.3 . 1 . . . . . . . . 5326 1
261 . 1 1 22 22 ILE N N 15 118.6 0.2 . 1 . . . . . . . . 5326 1
262 . 1 1 23 23 GLY H H 1 8.52 0.015 . 1 . . . . . . . . 5326 1
263 . 1 1 23 23 GLY HA2 H 1 3.88 0.03 . 2 . . . . . . . . 5326 1
264 . 1 1 23 23 GLY HA3 H 1 3.81 0.03 . 2 . . . . . . . . 5326 1
265 . 1 1 23 23 GLY C C 13 176.2 0.3 . 1 . . . . . . . . 5326 1
266 . 1 1 23 23 GLY CA C 13 48.1 0.3 . 1 . . . . . . . . 5326 1
267 . 1 1 23 23 GLY N N 15 106.6 0.2 . 1 . . . . . . . . 5326 1
268 . 1 1 24 24 ASP H H 1 8.64 0.015 . 1 . . . . . . . . 5326 1
269 . 1 1 24 24 ASP HA H 1 4.57 0.03 . 1 . . . . . . . . 5326 1
270 . 1 1 24 24 ASP HB2 H 1 3.18 0.03 . 2 . . . . . . . . 5326 1
271 . 1 1 24 24 ASP HB3 H 1 2.78 0.03 . 2 . . . . . . . . 5326 1
272 . 1 1 24 24 ASP C C 13 176.7 0.3 . 1 . . . . . . . . 5326 1
273 . 1 1 24 24 ASP CA C 13 56.2 0.3 . 1 . . . . . . . . 5326 1
274 . 1 1 24 24 ASP CB C 13 37.8 0.3 . 1 . . . . . . . . 5326 1
275 . 1 1 24 24 ASP N N 15 120.7 0.2 . 1 . . . . . . . . 5326 1
276 . 1 1 25 25 ALA H H 1 8.20 0.015 . 1 . . . . . . . . 5326 1
277 . 1 1 25 25 ALA HA H 1 4.08 0.03 . 1 . . . . . . . . 5326 1
278 . 1 1 25 25 ALA HB1 H 1 1.7 0.03 . 1 . . . . . . . . 5326 1
279 . 1 1 25 25 ALA HB2 H 1 1.7 0.03 . 1 . . . . . . . . 5326 1
280 . 1 1 25 25 ALA HB3 H 1 1.7 0.03 . 1 . . . . . . . . 5326 1
281 . 1 1 25 25 ALA C C 13 180.2 0.3 . 1 . . . . . . . . 5326 1
282 . 1 1 25 25 ALA CA C 13 55.9 0.3 . 1 . . . . . . . . 5326 1
283 . 1 1 25 25 ALA CB C 13 18.6 0.3 . 1 . . . . . . . . 5326 1
284 . 1 1 25 25 ALA N N 15 122.4 0.2 . 1 . . . . . . . . 5326 1
285 . 1 1 26 26 ILE H H 1 8.48 0.015 . 1 . . . . . . . . 5326 1
286 . 1 1 26 26 ILE HA H 1 3.79 0.03 . 1 . . . . . . . . 5326 1
287 . 1 1 26 26 ILE HB H 1 2.04 0.03 . 1 . . . . . . . . 5326 1
288 . 1 1 26 26 ILE HG12 H 1 1.17 0.03 . 2 . . . . . . . . 5326 1
289 . 1 1 26 26 ILE HG13 H 1 1.96 0.03 . 2 . . . . . . . . 5326 1
290 . 1 1 26 26 ILE HG21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
291 . 1 1 26 26 ILE HG22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
292 . 1 1 26 26 ILE HG23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
293 . 1 1 26 26 ILE HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
294 . 1 1 26 26 ILE HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
295 . 1 1 26 26 ILE HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
296 . 1 1 26 26 ILE C C 13 178.4 0.3 . 1 . . . . . . . . 5326 1
297 . 1 1 26 26 ILE CA C 13 65.2 0.3 . 1 . . . . . . . . 5326 1
298 . 1 1 26 26 ILE CB C 13 38.2 0.3 . 1 . . . . . . . . 5326 1
299 . 1 1 26 26 ILE CG1 C 13 29.6 0.3 . 2 . . . . . . . . 5326 1
300 . 1 1 26 26 ILE CG2 C 13 17.7 0.3 . 2 . . . . . . . . 5326 1
301 . 1 1 26 26 ILE CD1 C 13 13.6 0.3 . 1 . . . . . . . . 5326 1
302 . 1 1 26 26 ILE N N 15 118.6 0.2 . 1 . . . . . . . . 5326 1
303 . 1 1 27 27 GLY H H 1 8.45 0.015 . 1 . . . . . . . . 5326 1
304 . 1 1 27 27 GLY HA3 H 1 3.94 0.03 . 2 . . . . . . . . 5326 1
305 . 1 1 27 27 GLY HA2 H 1 3.80 0.03 . 2 . . . . . . . . 5326 1
306 . 1 1 27 27 GLY C C 13 175.4 0.3 . 1 . . . . . . . . 5326 1
307 . 1 1 27 27 GLY CA C 13 48.2 0.3 . 1 . . . . . . . . 5326 1
308 . 1 1 27 27 GLY N N 15 106.9 0.2 . 1 . . . . . . . . 5326 1
309 . 1 1 28 28 ILE H H 1 8.49 0.015 . 1 . . . . . . . . 5326 1
310 . 1 1 28 28 ILE HA H 1 3.80 0.03 . 1 . . . . . . . . 5326 1
311 . 1 1 28 28 ILE HB H 1 2.03 0.03 . 1 . . . . . . . . 5326 1
312 . 1 1 28 28 ILE HG12 H 1 1.26 0.03 . 2 . . . . . . . . 5326 1
313 . 1 1 28 28 ILE HG13 H 1 1.82 0.03 . 2 . . . . . . . . 5326 1
314 . 1 1 28 28 ILE HG21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
315 . 1 1 28 28 ILE HG22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
316 . 1 1 28 28 ILE HG23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
317 . 1 1 28 28 ILE HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
318 . 1 1 28 28 ILE HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
319 . 1 1 28 28 ILE HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
320 . 1 1 28 28 ILE C C 13 178.4 0.3 . 1 . . . . . . . . 5326 1
321 . 1 1 28 28 ILE CA C 13 65.0 0.3 . 1 . . . . . . . . 5326 1
322 . 1 1 28 28 ILE CB C 13 37.8 0.3 . 1 . . . . . . . . 5326 1
323 . 1 1 28 28 ILE CG1 C 13 29.6 0.3 . 2 . . . . . . . . 5326 1
324 . 1 1 28 28 ILE CG2 C 13 17.9 0.3 . 2 . . . . . . . . 5326 1
325 . 1 1 28 28 ILE CD1 C 13 13.6 0.3 . 1 . . . . . . . . 5326 1
326 . 1 1 28 28 ILE N N 15 121.3 0.2 . 1 . . . . . . . . 5326 1
327 . 1 1 29 29 GLY H H 1 8.19 0.015 . 1 . . . . . . . . 5326 1
328 . 1 1 29 29 GLY HA3 H 1 3.91 0.03 . 2 . . . . . . . . 5326 1
329 . 1 1 29 29 GLY C C 13 176.4 0.3 . 1 . . . . . . . . 5326 1
330 . 1 1 29 29 GLY CA C 13 47.9 0.3 . 1 . . . . . . . . 5326 1
331 . 1 1 29 29 GLY N N 15 108.4 0.2 . 1 . . . . . . . . 5326 1
332 . 1 1 30 30 ILE H H 1 8.53 0.015 . 1 . . . . . . . . 5326 1
333 . 1 1 30 30 ILE HA H 1 3.85 0.03 . 1 . . . . . . . . 5326 1
334 . 1 1 30 30 ILE HB H 1 2.07 0.03 . 1 . . . . . . . . 5326 1
335 . 1 1 30 30 ILE HG12 H 1 1.16 0.03 . 2 . . . . . . . . 5326 1
336 . 1 1 30 30 ILE HG13 H 1 1.94 0.03 . 2 . . . . . . . . 5326 1
337 . 1 1 30 30 ILE HG21 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
338 . 1 1 30 30 ILE HG22 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
339 . 1 1 30 30 ILE HG23 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
340 . 1 1 30 30 ILE HD11 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
341 . 1 1 30 30 ILE HD12 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
342 . 1 1 30 30 ILE HD13 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
343 . 1 1 30 30 ILE C C 13 178.5 0.3 . 1 . . . . . . . . 5326 1
344 . 1 1 30 30 ILE CA C 13 65.3 0.3 . 1 . . . . . . . . 5326 1
345 . 1 1 30 30 ILE CB C 13 37.9 0.3 . 1 . . . . . . . . 5326 1
346 . 1 1 30 30 ILE CG1 C 13 29.2 0.3 . 2 . . . . . . . . 5326 1
347 . 1 1 30 30 ILE CG2 C 13 17.7 0.3 . 2 . . . . . . . . 5326 1
348 . 1 1 30 30 ILE CD1 C 13 13.4 0.3 . 1 . . . . . . . . 5326 1
349 . 1 1 30 30 ILE N N 15 122.5 0.2 . 1 . . . . . . . . 5326 1
350 . 1 1 31 31 LEU H H 1 8.33 0.015 . 1 . . . . . . . . 5326 1
351 . 1 1 31 31 LEU HA H 1 4.04 0.03 . 1 . . . . . . . . 5326 1
352 . 1 1 31 31 LEU HB2 H 1 1.69 0.03 . 2 . . . . . . . . 5326 1
353 . 1 1 31 31 LEU HB3 H 1 1.92 0.03 . 2 . . . . . . . . 5326 1
354 . 1 1 31 31 LEU HG H 1 1.85 0.03 . 1 . . . . . . . . 5326 1
355 . 1 1 31 31 LEU HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
356 . 1 1 31 31 LEU HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
357 . 1 1 31 31 LEU HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
358 . 1 1 31 31 LEU HD21 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
359 . 1 1 31 31 LEU HD22 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
360 . 1 1 31 31 LEU HD23 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
361 . 1 1 31 31 LEU C C 13 179.4 0.3 . 1 . . . . . . . . 5326 1
362 . 1 1 31 31 LEU CA C 13 58.4 0.3 . 1 . . . . . . . . 5326 1
363 . 1 1 31 31 LEU CB C 13 42.0 0.3 . 1 . . . . . . . . 5326 1
364 . 1 1 31 31 LEU CG C 13 27.3 0.3 . 1 . . . . . . . . 5326 1
365 . 1 1 31 31 LEU CD1 C 13 24.4 0.3 . 1 . . . . . . . . 5326 1
366 . 1 1 31 31 LEU CD2 C 13 25.4 0.3 . 1 . . . . . . . . 5326 1
367 . 1 1 31 31 LEU N N 15 120.5 0.2 . 1 . . . . . . . . 5326 1
368 . 1 1 32 32 GLY H H 1 8.94 0.015 . 1 . . . . . . . . 5326 1
369 . 1 1 32 32 GLY HA3 H 1 3.95 0.03 . 2 . . . . . . . . 5326 1
370 . 1 1 32 32 GLY C C 13 176.0 0.3 . 1 . . . . . . . . 5326 1
371 . 1 1 32 32 GLY CA C 13 47.7 0.3 . 1 . . . . . . . . 5326 1
372 . 1 1 32 32 GLY N N 15 106.4 0.2 . 1 . . . . . . . . 5326 1
373 . 1 1 33 33 GLY H H 1 8.34 0.015 . 1 . . . . . . . . 5326 1
374 . 1 1 33 33 GLY HA3 H 1 3.94 0.03 . 2 . . . . . . . . 5326 1
375 . 1 1 33 33 GLY C C 13 175.7 0.3 . 1 . . . . . . . . 5326 1
376 . 1 1 33 33 GLY CA C 13 47.8 0.3 . 1 . . . . . . . . 5326 1
377 . 1 1 33 33 GLY N N 15 108.6 0.2 . 1 . . . . . . . . 5326 1
378 . 1 1 34 34 LYS H H 1 8.27 0.015 . 1 . . . . . . . . 5326 1
379 . 1 1 34 34 LYS HA H 1 4.19 0.03 . 1 . . . . . . . . 5326 1
380 . 1 1 34 34 LYS HB2 H 1 1.91 0.03 . 2 . . . . . . . . 5326 1
381 . 1 1 34 34 LYS HB3 H 1 2.12 0.03 . 2 . . . . . . . . 5326 1
382 . 1 1 34 34 LYS HG2 H 1 1.63 0.03 . 2 . . . . . . . . 5326 1
383 . 1 1 34 34 LYS HD2 H 1 1.73 0.03 . 1 . . . . . . . . 5326 1
384 . 1 1 34 34 LYS HE2 H 1 2.91 0.03 . 1 . . . . . . . . 5326 1
385 . 1 1 34 34 LYS HE3 H 1 2.93 0.03 . 1 . . . . . . . . 5326 1
386 . 1 1 34 34 LYS C C 13 179.4 0.3 . 1 . . . . . . . . 5326 1
387 . 1 1 34 34 LYS CA C 13 58.5 0.3 . 1 . . . . . . . . 5326 1
388 . 1 1 34 34 LYS CB C 13 31.6 0.3 . 1 . . . . . . . . 5326 1
389 . 1 1 34 34 LYS CG C 13 24.9 0.3 . 1 . . . . . . . . 5326 1
390 . 1 1 34 34 LYS CD C 13 28.7 0.3 . 1 . . . . . . . . 5326 1
391 . 1 1 34 34 LYS CE C 13 42.1 0.3 . 1 . . . . . . . . 5326 1
392 . 1 1 34 34 LYS N N 15 120.9 0.2 . 1 . . . . . . . . 5326 1
393 . 1 1 35 35 PHE H H 1 8.42 0.015 . 1 . . . . . . . . 5326 1
394 . 1 1 35 35 PHE HA H 1 4.30 0.03 . 1 . . . . . . . . 5326 1
395 . 1 1 35 35 PHE HB2 H 1 3.39 0.03 . 2 . . . . . . . . 5326 1
396 . 1 1 35 35 PHE HB3 H 1 3.34 0.03 . 2 . . . . . . . . 5326 1
397 . 1 1 35 35 PHE HD1 H 1 7.27 0.03 . 1 . . . . . . . . 5326 1
398 . 1 1 35 35 PHE HD2 H 1 7.27 0.03 . 1 . . . . . . . . 5326 1
399 . 1 1 35 35 PHE HE1 H 1 7.28 0.03 . 1 . . . . . . . . 5326 1
400 . 1 1 35 35 PHE HE2 H 1 7.28 0.03 . 1 . . . . . . . . 5326 1
401 . 1 1 35 35 PHE HZ H 1 7.22 0.03 . 1 . . . . . . . . 5326 1
402 . 1 1 35 35 PHE C C 13 177.8 0.3 . 1 . . . . . . . . 5326 1
403 . 1 1 35 35 PHE CA C 13 61.5 0.3 . 1 . . . . . . . . 5326 1
404 . 1 1 35 35 PHE CB C 13 39.1 0.3 . 1 . . . . . . . . 5326 1
405 . 1 1 35 35 PHE CD1 C 13 131.9 0.3 . 1 . . . . . . . . 5326 1
406 . 1 1 35 35 PHE CD2 C 13 131.9 0.3 . 1 . . . . . . . . 5326 1
407 . 1 1 35 35 PHE CE1 C 13 130.7 0.3 . 1 . . . . . . . . 5326 1
408 . 1 1 35 35 PHE CE2 C 13 130.7 0.3 . 1 . . . . . . . . 5326 1
409 . 1 1 35 35 PHE CZ C 13 129.5 0.3 . 1 . . . . . . . . 5326 1
410 . 1 1 35 35 PHE N N 15 120.7 0.2 . 1 . . . . . . . . 5326 1
411 . 1 1 36 36 LEU H H 1 8.30 0.015 . 1 . . . . . . . . 5326 1
412 . 1 1 36 36 LEU HA H 1 4.00 0.03 . 1 . . . . . . . . 5326 1
413 . 1 1 36 36 LEU HB2 H 1 1.67 0.03 . 2 . . . . . . . . 5326 1
414 . 1 1 36 36 LEU HB3 H 1 1.98 0.03 . 2 . . . . . . . . 5326 1
415 . 1 1 36 36 LEU HG H 1 1.96 0.03 . 1 . . . . . . . . 5326 1
416 . 1 1 36 36 LEU HD11 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
417 . 1 1 36 36 LEU HD12 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
418 . 1 1 36 36 LEU HD13 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
419 . 1 1 36 36 LEU HD21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
420 . 1 1 36 36 LEU HD22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
421 . 1 1 36 36 LEU HD23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
422 . 1 1 36 36 LEU C C 13 178.7 0.3 . 1 . . . . . . . . 5326 1
423 . 1 1 36 36 LEU CA C 13 58.2 0.3 . 1 . . . . . . . . 5326 1
424 . 1 1 36 36 LEU CB C 13 42.1 0.3 . 1 . . . . . . . . 5326 1
425 . 1 1 36 36 LEU CG C 13 27.3 0.3 . 1 . . . . . . . . 5326 1
426 . 1 1 36 36 LEU CD1 C 13 25.4 0.3 . 1 . . . . . . . . 5326 1
427 . 1 1 36 36 LEU CD2 C 13 23.4 0.3 . 1 . . . . . . . . 5326 1
428 . 1 1 36 36 LEU N N 15 119.6 0.2 . 1 . . . . . . . . 5326 1
429 . 1 1 37 37 GLU H H 1 8.26 0.015 . 1 . . . . . . . . 5326 1
430 . 1 1 37 37 GLU HA H 1 3.95 0.03 . 1 . . . . . . . . 5326 1
431 . 1 1 37 37 GLU HB2 H 1 2.17 0.03 . 2 . . . . . . . . 5326 1
432 . 1 1 37 37 GLU HB3 H 1 2.27 0.03 . 2 . . . . . . . . 5326 1
433 . 1 1 37 37 GLU HG2 H 1 2.33 0.03 . 2 . . . . . . . . 5326 1
434 . 1 1 37 37 GLU HG3 H 1 2.57 0.03 . 2 . . . . . . . . 5326 1
435 . 1 1 37 37 GLU C C 13 178.5 0.3 . 1 . . . . . . . . 5326 1
436 . 1 1 37 37 GLU CA C 13 59.2 0.3 . 1 . . . . . . . . 5326 1
437 . 1 1 37 37 GLU CB C 13 29.2 0.3 . 1 . . . . . . . . 5326 1
438 . 1 1 37 37 GLU CG C 13 34.9 0.3 . 1 . . . . . . . . 5326 1
439 . 1 1 37 37 GLU N N 15 117.8 0.2 . 1 . . . . . . . . 5326 1
440 . 1 1 38 38 GLY H H 1 8.06 0.015 . 1 . . . . . . . . 5326 1
441 . 1 1 38 38 GLY HA3 H 1 3.80 0.03 . 1 . . . . . . . . 5326 1
442 . 1 1 38 38 GLY HA2 H 1 3.80 0.03 . 1 . . . . . . . . 5326 1
443 . 1 1 38 38 GLY C C 13 175.7 0.3 . 1 . . . . . . . . 5326 1
444 . 1 1 38 38 GLY CA C 13 47.1 0.3 . 1 . . . . . . . . 5326 1
445 . 1 1 38 38 GLY N N 15 105.0 0.2 . 1 . . . . . . . . 5326 1
446 . 1 1 39 39 ALA H H 1 8.16 0.015 . 1 . . . . . . . . 5326 1
447 . 1 1 39 39 ALA HA H 1 4.06 0.03 . 1 . . . . . . . . 5326 1
448 . 1 1 39 39 ALA HB1 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1
449 . 1 1 39 39 ALA HB2 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1
450 . 1 1 39 39 ALA HB3 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1
451 . 1 1 39 39 ALA C C 13 178.6 0.3 . 1 . . . . . . . . 5326 1
452 . 1 1 39 39 ALA CA C 13 54.6 0.3 . 1 . . . . . . . . 5326 1
453 . 1 1 39 39 ALA CB C 13 18.5 0.3 . 1 . . . . . . . . 5326 1
454 . 1 1 39 39 ALA N N 15 123.8 0.2 . 1 . . . . . . . . 5326 1
455 . 1 1 40 40 ALA H H 1 7.91 0.015 . 1 . . . . . . . . 5326 1
456 . 1 1 40 40 ALA HA H 1 4.17 0.03 . 1 . . . . . . . . 5326 1
457 . 1 1 40 40 ALA HB1 H 1 1.5 0.03 . 1 . . . . . . . . 5326 1
458 . 1 1 40 40 ALA HB2 H 1 1.5 0.03 . 1 . . . . . . . . 5326 1
459 . 1 1 40 40 ALA HB3 H 1 1.5 0.03 . 1 . . . . . . . . 5326 1
460 . 1 1 40 40 ALA C C 13 177.8 0.3 . 1 . . . . . . . . 5326 1
461 . 1 1 40 40 ALA CA C 13 53.8 0.3 . 1 . . . . . . . . 5326 1
462 . 1 1 40 40 ALA CB C 13 18.9 0.3 . 1 . . . . . . . . 5326 1
463 . 1 1 40 40 ALA N N 15 117.5 0.2 . 1 . . . . . . . . 5326 1
464 . 1 1 41 41 ARG H H 1 7.50 0.015 . 1 . . . . . . . . 5326 1
465 . 1 1 41 41 ARG HA H 1 4.33 0.03 . 1 . . . . . . . . 5326 1
466 . 1 1 41 41 ARG HB2 H 1 1.87 0.03 . 2 . . . . . . . . 5326 1
467 . 1 1 41 41 ARG HB3 H 1 2.04 0.03 . 2 . . . . . . . . 5326 1
468 . 1 1 41 41 ARG HG2 H 1 1.71 0.03 . 2 . . . . . . . . 5326 1
469 . 1 1 41 41 ARG HG3 H 1 1.84 0.03 . 2 . . . . . . . . 5326 1
470 . 1 1 41 41 ARG HD2 H 1 3.21 0.03 . 2 . . . . . . . . 5326 1
471 . 1 1 41 41 ARG C C 13 176.0 0.3 . 1 . . . . . . . . 5326 1
472 . 1 1 41 41 ARG CA C 13 56.2 0.3 . 1 . . . . . . . . 5326 1
473 . 1 1 41 41 ARG CB C 13 30.9 0.3 . 1 . . . . . . . . 5326 1
474 . 1 1 41 41 ARG CG C 13 27.7 0.3 . 1 . . . . . . . . 5326 1
475 . 1 1 41 41 ARG CD C 13 43.7 0.3 . 1 . . . . . . . . 5326 1
476 . 1 1 41 41 ARG NE N 15 84.2 0.2 . 1 . . . . . . . . 5326 1
477 . 1 1 41 41 ARG HE H 1 7.56 0.03 . 1 . . . . . . . . 5326 1
478 . 1 1 41 41 ARG N N 15 114.0 0.2 . 1 . . . . . . . . 5326 1
479 . 1 1 42 42 GLN H H 1 7.72 0.015 . 1 . . . . . . . . 5326 1
480 . 1 1 42 42 GLN HA H 1 4.60 0.03 . 1 . . . . . . . . 5326 1
481 . 1 1 42 42 GLN HB2 H 1 2.07 0.03 . 2 . . . . . . . . 5326 1
482 . 1 1 42 42 GLN HB3 H 1 2.23 0.03 . 2 . . . . . . . . 5326 1
483 . 1 1 42 42 GLN C C 13 178.7 0.3 . 1 . . . . . . . . 5326 1
484 . 1 1 42 42 GLN HG2 H 1 2.43 0.03 . 2 . . . . . . . . 5326 1
485 . 1 1 42 42 GLN HE21 H 1 6.53 0.03 . 1 . . . . . . . . 5326 1
486 . 1 1 42 42 GLN HE22 H 1 7.60 0.03 . 1 . . . . . . . . 5326 1
487 . 1 1 42 42 GLN NE2 N 15 109.2 0.2 . 1 . . . . . . . . 5326 1
488 . 1 1 42 42 GLN CA C 13 54.9 0.3 . 1 . . . . . . . . 5326 1
489 . 1 1 42 42 GLN CB C 13 29.2 0.3 . 1 . . . . . . . . 5326 1
490 . 1 1 42 42 GLN CG C 13 34.0 0.3 . 1 . . . . . . . . 5326 1
491 . 1 1 42 42 GLN N N 15 118.6 0.2 . 1 . . . . . . . . 5326 1
492 . 1 1 43 43 PRO HA H 1 4.42 0.03 . 1 . . . . . . . . 5326 1
493 . 1 1 43 43 PRO HB2 H 1 1.97 0.03 . 2 . . . . . . . . 5326 1
494 . 1 1 43 43 PRO HB3 H 1 2.32 0.03 . 2 . . . . . . . . 5326 1
495 . 1 1 43 43 PRO HG2 H 1 2.04 0.03 . 2 . . . . . . . . 5326 1
496 . 1 1 43 43 PRO HD2 H 1 3.73 0.03 . 1 . . . . . . . . 5326 1
497 . 1 1 43 43 PRO HD3 H 1 3.75 0.03 . 1 . . . . . . . . 5326 1
498 . 1 1 43 43 PRO C C 13 176.9 0.3 . 1 . . . . . . . . 5326 1
499 . 1 1 43 43 PRO CA C 13 64.7 0.3 . 1 . . . . . . . . 5326 1
500 . 1 1 43 43 PRO CB C 13 31.9 0.3 . 1 . . . . . . . . 5326 1
501 . 1 1 43 43 PRO CG C 13 27.8 0.3 . 1 . . . . . . . . 5326 1
502 . 1 1 43 43 PRO CD C 13 50.5 0.3 . 1 . . . . . . . . 5326 1
503 . 1 1 44 44 ASP H H 1 8.39 0.015 . 1 . . . . . . . . 5326 1
504 . 1 1 44 44 ASP HA H 1 4.56 0.03 . 1 . . . . . . . . 5326 1
505 . 1 1 44 44 ASP HB2 H 1 2.85 0.03 . 1 . . . . . . . . 5326 1
506 . 1 1 44 44 ASP HB3 H 1 2.85 0.03 . 1 . . . . . . . . 5326 1
507 . 1 1 44 44 ASP C C 13 175.7 0.3 . 1 . . . . . . . . 5326 1
508 . 1 1 44 44 ASP CA C 13 54.4 0.3 . 1 . . . . . . . . 5326 1
509 . 1 1 44 44 ASP CB C 13 38.8 0.3 . 1 . . . . . . . . 5326 1
510 . 1 1 44 44 ASP N N 15 115.6 0.2 . 1 . . . . . . . . 5326 1
511 . 1 1 45 45 LEU H H 1 8.04 0.015 . 1 . . . . . . . . 5326 1
512 . 1 1 45 45 LEU HA H 1 4.27 0.03 . 1 . . . . . . . . 5326 1
513 . 1 1 45 45 LEU HB2 H 1 1.69 0.03 . 2 . . . . . . . . 5326 1
514 . 1 1 45 45 LEU HB3 H 1 1.81 0.03 . 2 . . . . . . . . 5326 1
515 . 1 1 45 45 LEU HG H 1 1.75 0.03 . 1 . . . . . . . . 5326 1
516 . 1 1 45 45 LEU HD11 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1
517 . 1 1 45 45 LEU HD12 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1
518 . 1 1 45 45 LEU HD13 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1
519 . 1 1 45 45 LEU HD21 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
520 . 1 1 45 45 LEU HD22 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
521 . 1 1 45 45 LEU HD23 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
522 . 1 1 45 45 LEU C C 13 178.0 0.3 . 1 . . . . . . . . 5326 1
523 . 1 1 45 45 LEU CA C 13 56.7 0.3 . 1 . . . . . . . . 5326 1
524 . 1 1 45 45 LEU CB C 13 42.9 0.3 . 1 . . . . . . . . 5326 1
525 . 1 1 45 45 LEU CG C 13 27.3 0.3 . 1 . . . . . . . . 5326 1
526 . 1 1 45 45 LEU CD1 C 13 24.3 0.3 . 1 . . . . . . . . 5326 1
527 . 1 1 45 45 LEU CD2 C 13 25.4 0.3 . 1 . . . . . . . . 5326 1
528 . 1 1 45 45 LEU N N 15 119.0 0.2 . 1 . . . . . . . . 5326 1
529 . 1 1 46 46 ILE H H 1 8.08 0.015 . 1 . . . . . . . . 5326 1
530 . 1 1 46 46 ILE HA H 1 3.90 0.03 . 1 . . . . . . . . 5326 1
531 . 1 1 46 46 ILE HB H 1 2.27 0.03 . 1 . . . . . . . . 5326 1
532 . 1 1 46 46 ILE C C 13 175.2 0.3 . 1 . . . . . . . . 5326 1
533 . 1 1 46 46 ILE HG12 H 1 1.28 0.03 . 2 . . . . . . . . 5326 1
534 . 1 1 46 46 ILE HG13 H 1 1.77 0.03 . 2 . . . . . . . . 5326 1
535 . 1 1 46 46 ILE HD11 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
536 . 1 1 46 46 ILE HD12 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
537 . 1 1 46 46 ILE HD13 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
538 . 1 1 46 46 ILE HG21 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
539 . 1 1 46 46 ILE HG22 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
540 . 1 1 46 46 ILE HG23 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
541 . 1 1 46 46 ILE CA C 13 66.7 0.3 . 1 . . . . . . . . 5326 1
542 . 1 1 46 46 ILE CB C 13 35.2 0.3 . 1 . . . . . . . . 5326 1
543 . 1 1 46 46 ILE CG1 C 13 30.1 0.3 . 2 . . . . . . . . 5326 1
544 . 1 1 46 46 ILE CG2 C 13 17.7 0.3 . 2 . . . . . . . . 5326 1
545 . 1 1 46 46 ILE N N 15 118.1 0.2 . 1 . . . . . . . . 5326 1
546 . 1 1 47 47 PRO HA H 1 4.27 0.03 . 1 . . . . . . . . 5326 1
547 . 1 1 47 47 PRO HB2 H 1 1.90 0.03 . 2 . . . . . . . . 5326 1
548 . 1 1 47 47 PRO HB3 H 1 2.37 0.03 . 2 . . . . . . . . 5326 1
549 . 1 1 47 47 PRO HG2 H 1 2.00 0.03 . 2 . . . . . . . . 5326 1
550 . 1 1 47 47 PRO HG3 H 1 2.21 0.03 . 2 . . . . . . . . 5326 1
551 . 1 1 47 47 PRO HD2 H 1 3.65 0.03 . 2 . . . . . . . . 5326 1
552 . 1 1 47 47 PRO HD3 H 1 3.77 0.03 . 2 . . . . . . . . 5326 1
553 . 1 1 47 47 PRO C C 13 179.0 0.3 . 1 . . . . . . . . 5326 1
554 . 1 1 47 47 PRO CA C 13 66.3 0.3 . 1 . . . . . . . . 5326 1
555 . 1 1 47 47 PRO CB C 13 31.4 0.3 . 1 . . . . . . . . 5326 1
556 . 1 1 47 47 PRO CG C 13 28.7 0.3 . 1 . . . . . . . . 5326 1
557 . 1 1 47 47 PRO CD C 13 49.9 0.3 . 1 . . . . . . . . 5326 1
558 . 1 1 48 48 LEU H H 1 7.42 0.015 . 1 . . . . . . . . 5326 1
559 . 1 1 48 48 LEU HA H 1 4.15 0.03 . 1 . . . . . . . . 5326 1
560 . 1 1 48 48 LEU HB2 H 1 1.77 0.03 . 2 . . . . . . . . 5326 1
561 . 1 1 48 48 LEU HB3 H 1 1.89 0.03 . 2 . . . . . . . . 5326 1
562 . 1 1 48 48 LEU HG H 1 1.76 0.03 . 1 . . . . . . . . 5326 1
563 . 1 1 48 48 LEU HD11 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
564 . 1 1 48 48 LEU HD12 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
565 . 1 1 48 48 LEU HD13 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
566 . 1 1 48 48 LEU C C 13 178.5 0.3 . 1 . . . . . . . . 5326 1
567 . 1 1 48 48 LEU CA C 13 58.5 0.3 . 1 . . . . . . . . 5326 1
568 . 1 1 48 48 LEU CB C 13 42.1 0.3 . 1 . . . . . . . . 5326 1
569 . 1 1 48 48 LEU CG C 13 27.7 0.3 . 1 . . . . . . . . 5326 1
570 . 1 1 48 48 LEU CD1 C 13 24.9 0.3 . 1 . . . . . . . . 5326 1
571 . 1 1 48 48 LEU N N 15 118.5 0.2 . 1 . . . . . . . . 5326 1
572 . 1 1 49 49 LEU H H 1 8.31 0.015 . 1 . . . . . . . . 5326 1
573 . 1 1 49 49 LEU HA H 1 4.13 0.03 . 1 . . . . . . . . 5326 1
574 . 1 1 49 49 LEU HB2 H 1 1.62 0.03 . 2 . . . . . . . . 5326 1
575 . 1 1 49 49 LEU HB3 H 1 1.92 0.03 . 2 . . . . . . . . 5326 1
576 . 1 1 49 49 LEU HG H 1 1.82 0.03 . 1 . . . . . . . . 5326 1
577 . 1 1 49 49 LEU HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
578 . 1 1 49 49 LEU HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
579 . 1 1 49 49 LEU HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
580 . 1 1 49 49 LEU HD21 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
581 . 1 1 49 49 LEU HD22 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
582 . 1 1 49 49 LEU HD23 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
583 . 1 1 49 49 LEU C C 13 179.2 0.3 . 1 . . . . . . . . 5326 1
584 . 1 1 49 49 LEU CA C 13 58.2 0.3 . 1 . . . . . . . . 5326 1
585 . 1 1 49 49 LEU CB C 13 42.1 0.3 . 1 . . . . . . . . 5326 1
586 . 1 1 49 49 LEU CG C 13 27.1 0.3 . 1 . . . . . . . . 5326 1
587 . 1 1 49 49 LEU CD1 C 13 25.5 0.3 . 1 . . . . . . . . 5326 1
588 . 1 1 49 49 LEU CD2 C 13 23.7 0.3 . 1 . . . . . . . . 5326 1
589 . 1 1 49 49 LEU N N 15 120.5 0.2 . 1 . . . . . . . . 5326 1
590 . 1 1 50 50 ARG H H 1 8.58 0.015 . 1 . . . . . . . . 5326 1
591 . 1 1 50 50 ARG HA H 1 3.98 0.03 . 1 . . . . . . . . 5326 1
592 . 1 1 50 50 ARG HB2 H 1 1.93 0.03 . 1 . . . . . . . . 5326 1
593 . 1 1 50 50 ARG HB3 H 1 1.93 0.03 . 1 . . . . . . . . 5326 1
594 . 1 1 50 50 ARG HG2 H 1 1.65 0.03 . 2 . . . . . . . . 5326 1
595 . 1 1 50 50 ARG HG3 H 1 1.85 0.03 . 2 . . . . . . . . 5326 1
596 . 1 1 50 50 ARG HD2 H 1 3.18 0.03 . 1 . . . . . . . . 5326 1
597 . 1 1 50 50 ARG C C 13 178.0 0.3 . 1 . . . . . . . . 5326 1
598 . 1 1 50 50 ARG CA C 13 60.0 0.3 . 1 . . . . . . . . 5326 1
599 . 1 1 50 50 ARG CB C 13 30.6 0.3 . 1 . . . . . . . . 5326 1
600 . 1 1 50 50 ARG CG C 13 28.2 0.3 . 1 . . . . . . . . 5326 1
601 . 1 1 50 50 ARG CD C 13 44.0 0.3 . 1 . . . . . . . . 5326 1
602 . 1 1 50 50 ARG HE H 1 7.46 0.03 . 1 . . . . . . . . 5326 1
603 . 1 1 50 50 ARG NE N 15 83.6 0.2 . 1 . . . . . . . . 5326 1
604 . 1 1 50 50 ARG N N 15 117.6 0.2 . 1 . . . . . . . . 5326 1
605 . 1 1 51 51 THR H H 1 7.87 0.015 . 1 . . . . . . . . 5326 1
606 . 1 1 51 51 THR HA H 1 4.01 0.03 . 1 . . . . . . . . 5326 1
607 . 1 1 51 51 THR HB H 1 4.42 0.03 . 1 . . . . . . . . 5326 1
608 . 1 1 51 51 THR HG21 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1
609 . 1 1 51 51 THR HG22 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1
610 . 1 1 51 51 THR HG23 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1
611 . 1 1 51 51 THR C C 13 175.8 0.3 . 1 . . . . . . . . 5326 1
612 . 1 1 51 51 THR CA C 13 67.7 0.3 . 1 . . . . . . . . 5326 1
613 . 1 1 51 51 THR CB C 13 68.8 0.3 . 1 . . . . . . . . 5326 1
614 . 1 1 51 51 THR CG2 C 13 21.9 0.3 . 1 . . . . . . . . 5326 1
615 . 1 1 51 51 THR N N 15 114.8 0.2 . 1 . . . . . . . . 5326 1
616 . 1 1 52 52 GLN H H 1 8.24 0.015 . 1 . . . . . . . . 5326 1
617 . 1 1 52 52 GLN HA H 1 4.02 0.03 . 1 . . . . . . . . 5326 1
618 . 1 1 52 52 GLN HB2 H 1 2.26 0.03 . 2 . . . . . . . . 5326 1
619 . 1 1 52 52 GLN HB3 H 1 2.36 0.03 . 2 . . . . . . . . 5326 1
620 . 1 1 52 52 GLN HG2 H 1 2.38 0.03 . 2 . . . . . . . . 5326 1
621 . 1 1 52 52 GLN HG3 H 1 2.53 0.03 . 2 . . . . . . . . 5326 1
622 . 1 1 52 52 GLN HE21 H 1 6.31 0.03 . 2 . . . . . . . . 5326 1
623 . 1 1 52 52 GLN HE22 H 1 6.84 0.03 . 2 . . . . . . . . 5326 1
624 . 1 1 52 52 GLN NE2 N 15 105.4 0.2 . 1 . . . . . . . . 5326 1
625 . 1 1 52 52 GLN C C 13 177.4 0.3 . 1 . . . . . . . . 5326 1
626 . 1 1 52 52 GLN CA C 13 59.9 0.3 . 1 . . . . . . . . 5326 1
627 . 1 1 52 52 GLN CB C 13 28.9 0.3 . 1 . . . . . . . . 5326 1
628 . 1 1 52 52 GLN CG C 13 34.8 0.3 . 1 . . . . . . . . 5326 1
629 . 1 1 52 52 GLN N N 15 119.9 0.2 . 1 . . . . . . . . 5326 1
630 . 1 1 53 53 PHE H H 1 8.35 0.015 . 1 . . . . . . . . 5326 1
631 . 1 1 53 53 PHE HA H 1 4.16 0.03 . 1 . . . . . . . . 5326 1
632 . 1 1 53 53 PHE HB2 H 1 3.23 0.03 . 2 . . . . . . . . 5326 1
633 . 1 1 53 53 PHE HB3 H 1 3.38 0.03 . 2 . . . . . . . . 5326 1
634 . 1 1 53 53 PHE HD1 H 1 7.04 0.03 . 1 . . . . . . . . 5326 1
635 . 1 1 53 53 PHE HD2 H 1 7.04 0.03 . 1 . . . . . . . . 5326 1
636 . 1 1 53 53 PHE HE1 H 1 7.24 0.03 . 1 . . . . . . . . 5326 1
637 . 1 1 53 53 PHE HE2 H 1 7.24 0.03 . 1 . . . . . . . . 5326 1
638 . 1 1 53 53 PHE HZ H 1 7.22 0.03 . 1 . . . . . . . . 5326 1
639 . 1 1 53 53 PHE C C 13 176.7 0.3 . 1 . . . . . . . . 5326 1
640 . 1 1 53 53 PHE CA C 13 61.8 0.3 . 1 . . . . . . . . 5326 1
641 . 1 1 53 53 PHE CB C 13 39.2 0.3 . 1 . . . . . . . . 5326 1
642 . 1 1 53 53 PHE CD1 C 13 131.7 0.3 . 1 . . . . . . . . 5326 1
643 . 1 1 53 53 PHE CD2 C 13 131.7 0.3 . 1 . . . . . . . . 5326 1
644 . 1 1 53 53 PHE CE1 C 13 131.0 0.3 . 1 . . . . . . . . 5326 1
645 . 1 1 53 53 PHE CE2 C 13 131.0 0.3 . 1 . . . . . . . . 5326 1
646 . 1 1 53 53 PHE CZ C 13 129.3 0.3 . 1 . . . . . . . . 5326 1
647 . 1 1 53 53 PHE N N 15 118.5 0.2 . 1 . . . . . . . . 5326 1
648 . 1 1 54 54 PHE H H 1 8.13 0.015 . 1 . . . . . . . . 5326 1
649 . 1 1 54 54 PHE HA H 1 4.19 0.03 . 1 . . . . . . . . 5326 1
650 . 1 1 54 54 PHE HB2 H 1 3.36 0.03 . 2 . . . . . . . . 5326 1
651 . 1 1 54 54 PHE HB3 H 1 3.34 0.03 . 2 . . . . . . . . 5326 1
652 . 1 1 54 54 PHE HD1 H 1 7.37 0.03 . 1 . . . . . . . . 5326 1
653 . 1 1 54 54 PHE HD2 H 1 7.37 0.03 . 1 . . . . . . . . 5326 1
654 . 1 1 54 54 PHE HE1 H 1 7.34 0.03 . 1 . . . . . . . . 5326 1
655 . 1 1 54 54 PHE HE2 H 1 7.34 0.03 . 1 . . . . . . . . 5326 1
656 . 1 1 54 54 PHE HZ H 1 7.28 0.03 . 1 . . . . . . . . 5326 1
657 . 1 1 54 54 PHE C C 13 178.1 0.3 . 1 . . . . . . . . 5326 1
658 . 1 1 54 54 PHE CA C 13 61.8 0.3 . 1 . . . . . . . . 5326 1
659 . 1 1 54 54 PHE CB C 13 39.3 0.3 . 1 . . . . . . . . 5326 1
660 . 1 1 54 54 PHE CD1 C 13 131.8 0.3 . 1 . . . . . . . . 5326 1
661 . 1 1 54 54 PHE CD2 C 13 131.8 0.3 . 1 . . . . . . . . 5326 1
662 . 1 1 54 54 PHE CE1 C 13 131.2 0.3 . 1 . . . . . . . . 5326 1
663 . 1 1 54 54 PHE CE2 C 13 131.2 0.3 . 1 . . . . . . . . 5326 1
664 . 1 1 54 54 PHE CZ C 13 129.5 0.3 . 1 . . . . . . . . 5326 1
665 . 1 1 54 54 PHE N N 15 117.7 0.2 . 1 . . . . . . . . 5326 1
666 . 1 1 55 55 ILE H H 1 8.20 0.015 . 1 . . . . . . . . 5326 1
667 . 1 1 55 55 ILE HA H 1 3.76 0.03 . 1 . . . . . . . . 5326 1
668 . 1 1 55 55 ILE HB H 1 2.08 0.03 . 1 . . . . . . . . 5326 1
669 . 1 1 55 55 ILE HG12 H 1 1.24 0.03 . 2 . . . . . . . . 5326 1
670 . 1 1 55 55 ILE HG13 H 1 1.99 0.03 . 2 . . . . . . . . 5326 1
671 . 1 1 55 55 ILE HG21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
672 . 1 1 55 55 ILE HG22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
673 . 1 1 55 55 ILE HG23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
674 . 1 1 55 55 ILE HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
675 . 1 1 55 55 ILE HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
676 . 1 1 55 55 ILE HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
677 . 1 1 55 55 ILE C C 13 178.0 0.3 . 1 . . . . . . . . 5326 1
678 . 1 1 55 55 ILE CA C 13 65.5 0.3 . 1 . . . . . . . . 5326 1
679 . 1 1 55 55 ILE CB C 13 38.0 0.3 . 1 . . . . . . . . 5326 1
680 . 1 1 55 55 ILE CG1 C 13 29.6 0.3 . 2 . . . . . . . . 5326 1
681 . 1 1 55 55 ILE CG2 C 13 17.8 0.3 . 2 . . . . . . . . 5326 1
682 . 1 1 55 55 ILE CD1 C 13 13.9 0.3 . 1 . . . . . . . . 5326 1
683 . 1 1 55 55 ILE N N 15 119.7 0.2 . 1 . . . . . . . . 5326 1
684 . 1 1 56 56 VAL H H 1 8.25 0.015 . 1 . . . . . . . . 5326 1
685 . 1 1 56 56 VAL HA H 1 3.56 0.03 . 1 . . . . . . . . 5326 1
686 . 1 1 56 56 VAL HB H 1 2.12 0.03 . 1 . . . . . . . . 5326 1
687 . 1 1 56 56 VAL HG11 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1
688 . 1 1 56 56 VAL HG12 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1
689 . 1 1 56 56 VAL HG13 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1
690 . 1 1 56 56 VAL HG21 H 1 1.1 0.03 . 2 . . . . . . . . 5326 1
691 . 1 1 56 56 VAL HG22 H 1 1.1 0.03 . 2 . . . . . . . . 5326 1
692 . 1 1 56 56 VAL HG23 H 1 1.1 0.03 . 2 . . . . . . . . 5326 1
693 . 1 1 56 56 VAL C C 13 177.6 0.3 . 1 . . . . . . . . 5326 1
694 . 1 1 56 56 VAL CA C 13 67.6 0.3 . 1 . . . . . . . . 5326 1
695 . 1 1 56 56 VAL CB C 13 31.7 0.3 . 1 . . . . . . . . 5326 1
696 . 1 1 56 56 VAL CG1 C 13 21.9 0.3 . 2 . . . . . . . . 5326 1
697 . 1 1 56 56 VAL CG2 C 13 23.7 0.3 . 2 . . . . . . . . 5326 1
698 . 1 1 56 56 VAL N N 15 119.1 0.2 . 1 . . . . . . . . 5326 1
699 . 1 1 57 57 MET H H 1 8.29 0.015 . 1 . . . . . . . . 5326 1
700 . 1 1 57 57 MET HA H 1 4.13 0.03 . 1 . . . . . . . . 5326 1
701 . 1 1 57 57 MET HB2 H 1 1.95 0.03 . 2 . . . . . . . . 5326 1
702 . 1 1 57 57 MET HB3 H 1 1.85 0.03 . 2 . . . . . . . . 5326 1
703 . 1 1 57 57 MET HG2 H 1 2.15 0.03 . 2 . . . . . . . . 5326 1
704 . 1 1 57 57 MET HG3 H 1 2.24 0.03 . 2 . . . . . . . . 5326 1
705 . 1 1 57 57 MET C C 13 179.1 0.3 . 1 . . . . . . . . 5326 1
706 . 1 1 57 57 MET CA C 13 58.0 0.3 . 1 . . . . . . . . 5326 1
707 . 1 1 57 57 MET CB C 13 32.2 0.3 . 1 . . . . . . . . 5326 1
708 . 1 1 57 57 MET CG C 13 32.4 0.3 . 1 . . . . . . . . 5326 1
709 . 1 1 57 57 MET N N 15 116.8 0.2 . 1 . . . . . . . . 5326 1
710 . 1 1 58 58 GLY H H 1 8.19 0.015 . 1 . . . . . . . . 5326 1
711 . 1 1 58 58 GLY HA3 H 1 3.82 0.03 . 2 . . . . . . . . 5326 1
712 . 1 1 58 58 GLY HA2 H 1 3.88 0.03 . 2 . . . . . . . . 5326 1
713 . 1 1 58 58 GLY C C 13 175.5 0.3 . 1 . . . . . . . . 5326 1
714 . 1 1 58 58 GLY CA C 13 47.6 0.3 . 1 . . . . . . . . 5326 1
715 . 1 1 58 58 GLY N N 15 107.4 0.2 . 1 . . . . . . . . 5326 1
716 . 1 1 59 59 LEU H H 1 8.15 0.015 . 1 . . . . . . . . 5326 1
717 . 1 1 59 59 LEU HA H 1 4.15 0.03 . 1 . . . . . . . . 5326 1
718 . 1 1 59 59 LEU HB2 H 1 1.62 0.03 . 2 . . . . . . . . 5326 1
719 . 1 1 59 59 LEU HB3 H 1 2.02 0.03 . 2 . . . . . . . . 5326 1
720 . 1 1 59 59 LEU HG H 1 1.92 0.03 . 1 . . . . . . . . 5326 1
721 . 1 1 59 59 LEU HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
722 . 1 1 59 59 LEU HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
723 . 1 1 59 59 LEU HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
724 . 1 1 59 59 LEU HD21 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
725 . 1 1 59 59 LEU HD22 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
726 . 1 1 59 59 LEU HD23 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
727 . 1 1 59 59 LEU C C 13 179.1 0.3 . 1 . . . . . . . . 5326 1
728 . 1 1 59 59 LEU CA C 13 58.2 0.3 . 1 . . . . . . . . 5326 1
729 . 1 1 59 59 LEU CB C 13 42.4 0.3 . 1 . . . . . . . . 5326 1
730 . 1 1 59 59 LEU CG C 13 27.3 0.3 . 1 . . . . . . . . 5326 1
731 . 1 1 59 59 LEU CD1 C 13 23.9 0.3 . 1 . . . . . . . . 5326 1
732 . 1 1 59 59 LEU CD2 C 13 25.8 0.3 . 1 . . . . . . . . 5326 1
733 . 1 1 59 59 LEU N N 15 122.2 0.2 . 1 . . . . . . . . 5326 1
734 . 1 1 60 60 VAL H H 1 8.35 0.015 . 1 . . . . . . . . 5326 1
735 . 1 1 60 60 VAL HA H 1 3.75 0.03 . 1 . . . . . . . . 5326 1
736 . 1 1 60 60 VAL HB H 1 2.22 0.03 . 1 . . . . . . . . 5326 1
737 . 1 1 60 60 VAL HG11 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
738 . 1 1 60 60 VAL HG12 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
739 . 1 1 60 60 VAL HG13 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
740 . 1 1 60 60 VAL HG21 H 1 1.1 0.03 . 2 . . . . . . . . 5326 1
741 . 1 1 60 60 VAL HG22 H 1 1.1 0.03 . 2 . . . . . . . . 5326 1
742 . 1 1 60 60 VAL HG23 H 1 1.1 0.03 . 2 . . . . . . . . 5326 1
743 . 1 1 60 60 VAL C C 13 177.5 0.3 . 1 . . . . . . . . 5326 1
744 . 1 1 60 60 VAL CA C 13 66.1 0.3 . 1 . . . . . . . . 5326 1
745 . 1 1 60 60 VAL CB C 13 31.9 0.3 . 1 . . . . . . . . 5326 1
746 . 1 1 60 60 VAL CG1 C 13 21.6 0.3 . 2 . . . . . . . . 5326 1
747 . 1 1 60 60 VAL CG2 C 13 23.0 0.3 . 2 . . . . . . . . 5326 1
748 . 1 1 60 60 VAL N N 15 116.3 0.2 . 1 . . . . . . . . 5326 1
749 . 1 1 61 61 ASN H H 1 7.69 0.015 . 1 . . . . . . . . 5326 1
750 . 1 1 61 61 ASN HA H 1 4.62 0.03 . 1 . . . . . . . . 5326 1
751 . 1 1 61 61 ASN HB2 H 1 2.83 0.03 . 2 . . . . . . . . 5326 1
752 . 1 1 61 61 ASN HB3 H 1 2.74 0.03 . 2 . . . . . . . . 5326 1
753 . 1 1 61 61 ASN HD21 H 1 7.63 0.03 . 2 . . . . . . . . 5326 1
754 . 1 1 61 61 ASN HD22 H 1 6.37 0.03 . 2 . . . . . . . . 5326 1
755 . 1 1 61 61 ASN ND2 N 15 109.4 0.2 . 1 . . . . . . . . 5326 1
756 . 1 1 61 61 ASN C C 13 175.5 0.3 . 1 . . . . . . . . 5326 1
757 . 1 1 61 61 ASN CA C 13 55.5 0.3 . 1 . . . . . . . . 5326 1
758 . 1 1 61 61 ASN CB C 13 40.1 0.3 . 1 . . . . . . . . 5326 1
759 . 1 1 61 61 ASN N N 15 114.8 0.2 . 1 . . . . . . . . 5326 1
760 . 1 1 62 62 ALA H H 1 7.87 0.015 . 1 . . . . . . . . 5326 1
761 . 1 1 62 62 ALA HA H 1 4.30 0.03 . 1 . . . . . . . . 5326 1
762 . 1 1 62 62 ALA HB1 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
763 . 1 1 62 62 ALA HB2 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
764 . 1 1 62 62 ALA HB3 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
765 . 1 1 62 62 ALA C C 13 178.7 0.3 . 1 . . . . . . . . 5326 1
766 . 1 1 62 62 ALA CA C 13 54.4 0.3 . 1 . . . . . . . . 5326 1
767 . 1 1 62 62 ALA CB C 13 19.5 0.3 . 1 . . . . . . . . 5326 1
768 . 1 1 62 62 ALA N N 15 119.9 0.2 . 1 . . . . . . . . 5326 1
769 . 1 1 63 63 ILE H H 1 7.88 0.015 . 1 . . . . . . . . 5326 1
770 . 1 1 63 63 ILE HA H 1 3.86 0.03 . 1 . . . . . . . . 5326 1
771 . 1 1 63 63 ILE HB H 1 2.22 0.03 . 1 . . . . . . . . 5326 1
772 . 1 1 63 63 ILE C C 13 175.0 0.3 . 1 . . . . . . . . 5326 1
773 . 1 1 63 63 ILE HG12 H 1 1.28 0.03 . 2 . . . . . . . . 5326 1
774 . 1 1 63 63 ILE HG13 H 1 1.96 0.03 . 2 . . . . . . . . 5326 1
775 . 1 1 63 63 ILE HG21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
776 . 1 1 63 63 ILE HG22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
777 . 1 1 63 63 ILE HG23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
778 . 1 1 63 63 ILE CA C 13 67.2 0.3 . 1 . . . . . . . . 5326 1
779 . 1 1 63 63 ILE CB C 13 35.8 0.3 . 1 . . . . . . . . 5326 1
780 . 1 1 63 63 ILE CG1 C 13 30.1 0.3 . 2 . . . . . . . . 5326 1
781 . 1 1 63 63 ILE CG2 C 13 17.7 0.3 . 2 . . . . . . . . 5326 1
782 . 1 1 63 63 ILE CD1 C 13 13.3 0.3 . 1 . . . . . . . . 5326 1
783 . 1 1 63 63 ILE HD11 H 1 1.0 0.3 . 1 . . . . . . . . 5326 1
784 . 1 1 63 63 ILE HD12 H 1 1.0 0.3 . 1 . . . . . . . . 5326 1
785 . 1 1 63 63 ILE HD13 H 1 1.0 0.3 . 1 . . . . . . . . 5326 1
786 . 1 1 63 63 ILE N N 15 116.7 0.2 . 1 . . . . . . . . 5326 1
787 . 1 1 64 64 PRO HA H 1 4.29 0.03 . 1 . . . . . . . . 5326 1
788 . 1 1 64 64 PRO HB2 H 1 1.90 0.03 . 2 . . . . . . . . 5326 1
789 . 1 1 64 64 PRO HB3 H 1 2.33 0.03 . 2 . . . . . . . . 5326 1
790 . 1 1 64 64 PRO HG2 H 1 1.94 0.03 . 2 . . . . . . . . 5326 1
791 . 1 1 64 64 PRO HG3 H 1 2.28 0.03 . 2 . . . . . . . . 5326 1
792 . 1 1 64 64 PRO HD2 H 1 3.65 0.03 . 2 . . . . . . . . 5326 1
793 . 1 1 64 64 PRO HD3 H 1 3.85 0.03 . 2 . . . . . . . . 5326 1
794 . 1 1 64 64 PRO C C 13 177.7 0.3 . 1 . . . . . . . . 5326 1
795 . 1 1 64 64 PRO CA C 13 66.3 0.3 . 1 . . . . . . . . 5326 1
796 . 1 1 64 64 PRO CB C 13 31.4 0.3 . 1 . . . . . . . . 5326 1
797 . 1 1 64 64 PRO CG C 13 28.7 0.3 . 1 . . . . . . . . 5326 1
798 . 1 1 64 64 PRO CD C 13 49.9 0.3 . 1 . . . . . . . . 5326 1
799 . 1 1 65 65 MET H H 1 7.20 0.015 . 1 . . . . . . . . 5326 1
800 . 1 1 65 65 MET HA H 1 4.17 0.03 . 1 . . . . . . . . 5326 1
801 . 1 1 65 65 MET HB2 H 1 2.20 0.03 . 2 . . . . . . . . 5326 1
802 . 1 1 65 65 MET HB3 H 1 2.32 0.03 . 2 . . . . . . . . 5326 1
803 . 1 1 65 65 MET HG2 H 1 2.60 0.03 . 2 . . . . . . . . 5326 1
804 . 1 1 65 65 MET HG3 H 1 2.79 0.03 . 2 . . . . . . . . 5326 1
805 . 1 1 65 65 MET C C 13 178.6 0.3 . 1 . . . . . . . . 5326 1
806 . 1 1 65 65 MET CA C 13 59.1 0.3 . 1 . . . . . . . . 5326 1
807 . 1 1 65 65 MET CB C 13 33.1 0.3 . 1 . . . . . . . . 5326 1
808 . 1 1 65 65 MET CG C 13 33.0 0.3 . 1 . . . . . . . . 5326 1
809 . 1 1 65 65 MET N N 15 113.5 0.2 . 1 . . . . . . . . 5326 1
810 . 1 1 66 66 ILE H H 1 8.22 0.015 . 1 . . . . . . . . 5326 1
811 . 1 1 66 66 ILE HA H 1 3.77 0.03 . 1 . . . . . . . . 5326 1
812 . 1 1 66 66 ILE HB H 1 2.05 0.03 . 1 . . . . . . . . 5326 1
813 . 1 1 66 66 ILE HG12 H 1 1.16 0.03 . 2 . . . . . . . . 5326 1
814 . 1 1 66 66 ILE HG13 H 1 1.82 0.03 . 2 . . . . . . . . 5326 1
815 . 1 1 66 66 ILE HG21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
816 . 1 1 66 66 ILE HG22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
817 . 1 1 66 66 ILE HG23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
818 . 1 1 66 66 ILE HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
819 . 1 1 66 66 ILE HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
820 . 1 1 66 66 ILE HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
821 . 1 1 66 66 ILE C C 13 177.5 0.3 . 1 . . . . . . . . 5326 1
822 . 1 1 66 66 ILE CA C 13 64.9 0.3 . 1 . . . . . . . . 5326 1
823 . 1 1 66 66 ILE CB C 13 38.0 0.3 . 1 . . . . . . . . 5326 1
824 . 1 1 66 66 ILE CG1 C 13 29.5 0.3 . 2 . . . . . . . . 5326 1
825 . 1 1 66 66 ILE CG2 C 13 17.8 0.3 . 2 . . . . . . . . 5326 1
826 . 1 1 66 66 ILE CD1 C 13 13.3 0.3 . 1 . . . . . . . . 5326 1
827 . 1 1 66 66 ILE N N 15 120.5 0.2 . 1 . . . . . . . . 5326 1
828 . 1 1 67 67 ALA H H 1 8.32 0.015 . 1 . . . . . . . . 5326 1
829 . 1 1 67 67 ALA HA H 1 4.05 0.03 . 1 . . . . . . . . 5326 1
830 . 1 1 67 67 ALA HB1 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
831 . 1 1 67 67 ALA HB2 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
832 . 1 1 67 67 ALA HB3 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1
833 . 1 1 67 67 ALA C C 13 180.1 0.3 . 1 . . . . . . . . 5326 1
834 . 1 1 67 67 ALA CA C 13 56.0 0.3 . 1 . . . . . . . . 5326 1
835 . 1 1 67 67 ALA CB C 13 18.8 0.3 . 1 . . . . . . . . 5326 1
836 . 1 1 67 67 ALA N N 15 121.0 0.2 . 1 . . . . . . . . 5326 1
837 . 1 1 68 68 VAL H H 1 8.08 0.015 . 1 . . . . . . . . 5326 1
838 . 1 1 68 68 VAL HA H 1 3.77 0.03 . 1 . . . . . . . . 5326 1
839 . 1 1 68 68 VAL HB H 1 2.24 0.03 . 1 . . . . . . . . 5326 1
840 . 1 1 68 68 VAL HG11 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
841 . 1 1 68 68 VAL HG12 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
842 . 1 1 68 68 VAL HG13 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
843 . 1 1 68 68 VAL HG21 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1
844 . 1 1 68 68 VAL HG22 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1
845 . 1 1 68 68 VAL HG23 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1
846 . 1 1 68 68 VAL C C 13 178.1 0.3 . 1 . . . . . . . . 5326 1
847 . 1 1 68 68 VAL CA C 13 66.7 0.3 . 1 . . . . . . . . 5326 1
848 . 1 1 68 68 VAL CB C 13 32.2 0.3 . 1 . . . . . . . . 5326 1
849 . 1 1 68 68 VAL CG1 C 13 21.6 0.3 . 2 . . . . . . . . 5326 1
850 . 1 1 68 68 VAL CG2 C 13 23.6 0.3 . 2 . . . . . . . . 5326 1
851 . 1 1 68 68 VAL N N 15 117.2 0.2 . 1 . . . . . . . . 5326 1
852 . 1 1 69 69 GLY H H 1 8.24 0.015 . 1 . . . . . . . . 5326 1
853 . 1 1 69 69 GLY HA3 H 1 3.88 0.03 . 2 . . . . . . . . 5326 1
854 . 1 1 69 69 GLY C C 13 175.7 0.3 . 1 . . . . . . . . 5326 1
855 . 1 1 69 69 GLY CA C 13 48.2 0.3 . 1 . . . . . . . . 5326 1
856 . 1 1 69 69 GLY N N 15 107.1 0.2 . 1 . . . . . . . . 5326 1
857 . 1 1 70 70 LEU H H 1 8.71 0.015 . 1 . . . . . . . . 5326 1
858 . 1 1 70 70 LEU HA H 1 4.27 0.03 . 1 . . . . . . . . 5326 1
859 . 1 1 70 70 LEU HB2 H 1 1.70 0.03 . 2 . . . . . . . . 5326 1
860 . 1 1 70 70 LEU HB3 H 1 1.86 0.03 . 2 . . . . . . . . 5326 1
861 . 1 1 70 70 LEU HG H 1 1.85 0.03 . 1 . . . . . . . . 5326 1
862 . 1 1 70 70 LEU HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
863 . 1 1 70 70 LEU HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
864 . 1 1 70 70 LEU HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
865 . 1 1 70 70 LEU HD21 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
866 . 1 1 70 70 LEU HD22 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
867 . 1 1 70 70 LEU HD23 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
868 . 1 1 70 70 LEU C C 13 178.9 0.3 . 1 . . . . . . . . 5326 1
869 . 1 1 70 70 LEU CA C 13 58.1 0.3 . 1 . . . . . . . . 5326 1
870 . 1 1 70 70 LEU CB C 13 42.2 0.3 . 1 . . . . . . . . 5326 1
871 . 1 1 70 70 LEU CG C 13 27.3 0.3 . 1 . . . . . . . . 5326 1
872 . 1 1 70 70 LEU CD1 C 13 24.2 0.3 . 1 . . . . . . . . 5326 1
873 . 1 1 70 70 LEU CD2 C 13 25.4 0.3 . 1 . . . . . . . . 5326 1
874 . 1 1 70 70 LEU N N 15 121.6 0.2 . 1 . . . . . . . . 5326 1
875 . 1 1 71 71 GLY H H 1 8.25 0.015 . 1 . . . . . . . . 5326 1
876 . 1 1 71 71 GLY HA3 H 1 3.86 0.03 . 2 . . . . . . . . 5326 1
877 . 1 1 71 71 GLY C C 13 175.6 0.3 . 1 . . . . . . . . 5326 1
878 . 1 1 71 71 GLY CA C 13 48.0 0.3 . 1 . . . . . . . . 5326 1
879 . 1 1 71 71 GLY N N 15 106.2 0.2 . 1 . . . . . . . . 5326 1
880 . 1 1 72 72 LEU H H 1 8.42 0.015 . 1 . . . . . . . . 5326 1
881 . 1 1 72 72 LEU HA H 1 4.12 0.03 . 1 . . . . . . . . 5326 1
882 . 1 1 72 72 LEU HB2 H 1 1.54 0.03 . 2 . . . . . . . . 5326 1
883 . 1 1 72 72 LEU HB3 H 1 2.04 0.03 . 2 . . . . . . . . 5326 1
884 . 1 1 72 72 LEU HG H 1 1.94 0.03 . 1 . . . . . . . . 5326 1
885 . 1 1 72 72 LEU HD21 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
886 . 1 1 72 72 LEU HD22 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
887 . 1 1 72 72 LEU HD23 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
888 . 1 1 72 72 LEU HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
889 . 1 1 72 72 LEU HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
890 . 1 1 72 72 LEU HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1
891 . 1 1 72 72 LEU C C 13 178.3 0.3 . 1 . . . . . . . . 5326 1
892 . 1 1 72 72 LEU CA C 13 58.2 0.3 . 1 . . . . . . . . 5326 1
893 . 1 1 72 72 LEU CB C 13 42.3 0.3 . 1 . . . . . . . . 5326 1
894 . 1 1 72 72 LEU CG C 13 27.2 0.3 . 1 . . . . . . . . 5326 1
895 . 1 1 72 72 LEU CD1 C 13 23.6 0.3 . 1 . . . . . . . . 5326 1
896 . 1 1 72 72 LEU CD2 C 13 26.2 0.3 . 1 . . . . . . . . 5326 1
897 . 1 1 72 72 LEU N N 15 121.2 0.2 . 1 . . . . . . . . 5326 1
898 . 1 1 73 73 TYR H H 1 8.13 0.015 . 1 . . . . . . . . 5326 1
899 . 1 1 73 73 TYR HA H 1 4.15 0.03 . 1 . . . . . . . . 5326 1
900 . 1 1 73 73 TYR HB2 H 1 3.23 0.03 . 2 . . . . . . . . 5326 1
901 . 1 1 73 73 TYR HB3 H 1 3.38 0.03 . 2 . . . . . . . . 5326 1
902 . 1 1 73 73 TYR HD1 H 1 7.06 0.03 . 1 . . . . . . . . 5326 1
903 . 1 1 73 73 TYR HD2 H 1 7.06 0.03 . 1 . . . . . . . . 5326 1
904 . 1 1 73 73 TYR HE1 H 1 6.75 0.03 . 1 . . . . . . . . 5326 1
905 . 1 1 73 73 TYR HE2 H 1 6.75 0.03 . 1 . . . . . . . . 5326 1
906 . 1 1 73 73 TYR C C 13 177.7 0.3 . 1 . . . . . . . . 5326 1
907 . 1 1 73 73 TYR CA C 13 62.4 0.3 . 1 . . . . . . . . 5326 1
908 . 1 1 73 73 TYR CB C 13 38.7 0.3 . 1 . . . . . . . . 5326 1
909 . 1 1 73 73 TYR CD1 C 13 132.9 0.3 . 1 . . . . . . . . 5326 1
910 . 1 1 73 73 TYR CD2 C 13 132.9 0.3 . 1 . . . . . . . . 5326 1
911 . 1 1 73 73 TYR CE1 C 13 117.9 0.3 . 1 . . . . . . . . 5326 1
912 . 1 1 73 73 TYR CE2 C 13 117.9 0.3 . 1 . . . . . . . . 5326 1
913 . 1 1 73 73 TYR N N 15 119.0 0.2 . 1 . . . . . . . . 5326 1
914 . 1 1 74 74 VAL H H 1 8.36 0.015 . 1 . . . . . . . . 5326 1
915 . 1 1 74 74 VAL HA H 1 3.53 0.03 . 1 . . . . . . . . 5326 1
916 . 1 1 74 74 VAL HB H 1 2.27 0.03 . 1 . . . . . . . . 5326 1
917 . 1 1 74 74 VAL HG11 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
918 . 1 1 74 74 VAL HG12 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
919 . 1 1 74 74 VAL HG13 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1
920 . 1 1 74 74 VAL HG21 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1
921 . 1 1 74 74 VAL HG22 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1
922 . 1 1 74 74 VAL HG23 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1
923 . 1 1 74 74 VAL C C 13 177.5 0.3 . 1 . . . . . . . . 5326 1
924 . 1 1 74 74 VAL CA C 13 67.0 0.3 . 1 . . . . . . . . 5326 1
925 . 1 1 74 74 VAL CB C 13 31.8 0.3 . 1 . . . . . . . . 5326 1
926 . 1 1 74 74 VAL CG1 C 13 22.1 0.3 . 2 . . . . . . . . 5326 1
927 . 1 1 74 74 VAL CG2 C 13 23.4 0.3 . 2 . . . . . . . . 5326 1
928 . 1 1 74 74 VAL N N 15 117.5 0.2 . 1 . . . . . . . . 5326 1
929 . 1 1 75 75 MET H H 1 8.05 0.015 . 1 . . . . . . . . 5326 1
930 . 1 1 75 75 MET HA H 1 4.01 0.03 . 1 . . . . . . . . 5326 1
931 . 1 1 75 75 MET HB2 H 1 2.00 0.03 . 2 . . . . . . . . 5326 1
932 . 1 1 75 75 MET HB3 H 1 2.18 0.03 . 2 . . . . . . . . 5326 1
933 . 1 1 75 75 MET HG2 H 1 2.38 0.03 . 2 . . . . . . . . 5326 1
934 . 1 1 75 75 MET HG3 H 1 2.58 0.03 . 2 . . . . . . . . 5326 1
935 . 1 1 75 75 MET C C 13 177.7 0.3 . 1 . . . . . . . . 5326 1
936 . 1 1 75 75 MET CA C 13 59.2 0.3 . 1 . . . . . . . . 5326 1
937 . 1 1 75 75 MET CB C 13 32.8 0.3 . 1 . . . . . . . . 5326 1
938 . 1 1 75 75 MET CG C 13 34.9 0.3 . 1 . . . . . . . . 5326 1
939 . 1 1 75 75 MET N N 15 117.0 0.2 . 1 . . . . . . . . 5326 1
940 . 1 1 76 76 PHE H H 1 8.13 0.015 . 1 . . . . . . . . 5326 1
941 . 1 1 76 76 PHE HA H 1 4.39 0.03 . 1 . . . . . . . . 5326 1
942 . 1 1 76 76 PHE HB2 H 1 3.08 0.03 . 2 . . . . . . . . 5326 1
943 . 1 1 76 76 PHE HB3 H 1 3.17 0.03 . 2 . . . . . . . . 5326 1
944 . 1 1 76 76 PHE C C 13 176.9 0.3 . 1 . . . . . . . . 5326 1
945 . 1 1 76 76 PHE HD1 H 1 7.30 0.03 . 1 . . . . . . . . 5326 1
946 . 1 1 76 76 PHE HD2 H 1 7.30 0.03 . 1 . . . . . . . . 5326 1
947 . 1 1 76 76 PHE HE1 H 1 7.24 0.03 . 1 . . . . . . . . 5326 1
948 . 1 1 76 76 PHE HE2 H 1 7.24 0.03 . 1 . . . . . . . . 5326 1
949 . 1 1 76 76 PHE HZ H 1 7.20 0.03 . 1 . . . . . . . . 5326 1
950 . 1 1 76 76 PHE CA C 13 60.1 0.3 . 1 . . . . . . . . 5326 1
951 . 1 1 76 76 PHE CB C 13 39.5 0.3 . 1 . . . . . . . . 5326 1
952 . 1 1 76 76 PHE CD1 C 13 131.6 0.3 . 1 . . . . . . . . 5326 1
953 . 1 1 76 76 PHE CD2 C 13 131.6 0.3 . 1 . . . . . . . . 5326 1
954 . 1 1 76 76 PHE CE1 C 13 130.7 0.3 . 1 . . . . . . . . 5326 1
955 . 1 1 76 76 PHE CE2 C 13 130.7 0.3 . 1 . . . . . . . . 5326 1
956 . 1 1 76 76 PHE CZ C 13 129.0 0.3 . 1 . . . . . . . . 5326 1
957 . 1 1 76 76 PHE N N 15 115.5 0.2 . 1 . . . . . . . . 5326 1
958 . 1 1 77 77 ALA H H 1 8.25 0.015 . 1 . . . . . . . . 5326 1
959 . 1 1 77 77 ALA HA H 1 4.12 0.03 . 1 . . . . . . . . 5326 1
960 . 1 1 77 77 ALA HB1 H 1 1.3 0.03 . 1 . . . . . . . . 5326 1
961 . 1 1 77 77 ALA HB2 H 1 1.3 0.03 . 1 . . . . . . . . 5326 1
962 . 1 1 77 77 ALA HB3 H 1 1.3 0.03 . 1 . . . . . . . . 5326 1
963 . 1 1 77 77 ALA C C 13 178.7 0.3 . 1 . . . . . . . . 5326 1
964 . 1 1 77 77 ALA CA C 13 54.3 0.3 . 1 . . . . . . . . 5326 1
965 . 1 1 77 77 ALA CB C 13 19.1 0.3 . 1 . . . . . . . . 5326 1
966 . 1 1 77 77 ALA N N 15 120.9 0.2 . 1 . . . . . . . . 5326 1
967 . 1 1 78 78 VAL H H 1 7.75 0.015 . 1 . . . . . . . . 5326 1
968 . 1 1 78 78 VAL HA H 1 4.12 0.03 . 1 . . . . . . . . 5326 1
969 . 1 1 78 78 VAL HB H 1 2.26 0.03 . 1 . . . . . . . . 5326 1
970 . 1 1 78 78 VAL HG11 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
971 . 1 1 78 78 VAL HG12 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
972 . 1 1 78 78 VAL HG13 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
973 . 1 1 78 78 VAL HG21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
974 . 1 1 78 78 VAL HG22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
975 . 1 1 78 78 VAL HG23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1
976 . 1 1 78 78 VAL C C 13 175.6 0.3 . 1 . . . . . . . . 5326 1
977 . 1 1 78 78 VAL CA C 13 62.9 0.3 . 1 . . . . . . . . 5326 1
978 . 1 1 78 78 VAL CB C 13 32.7 0.3 . 1 . . . . . . . . 5326 1
979 . 1 1 78 78 VAL CG1 C 13 21.0 0.3 . 2 . . . . . . . . 5326 1
980 . 1 1 78 78 VAL CG2 C 13 21.5 0.3 . 2 . . . . . . . . 5326 1
981 . 1 1 78 78 VAL N N 15 112.9 0.2 . 1 . . . . . . . . 5326 1
982 . 1 1 79 79 ALA H H 1 7.72 0.015 . 1 . . . . . . . . 5326 1
983 . 1 1 79 79 ALA HA H 1 4.26 0.03 . 1 . . . . . . . . 5326 1
984 . 1 1 79 79 ALA HB1 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1
985 . 1 1 79 79 ALA HB2 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1
986 . 1 1 79 79 ALA HB3 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1
987 . 1 1 79 79 ALA CA C 13 52.1 0.3 . 1 . . . . . . . . 5326 1
988 . 1 1 79 79 ALA CB C 13 18.9 0.3 . 1 . . . . . . . . 5326 1
989 . 1 1 79 79 ALA N N 15 124.4 0.2 . 1 . . . . . . . . 5326 1
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