data_5631
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 5631
_Entry.Title
;
ERBIN PDZ domain bound to a phage-derived peptide
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2002-12-19
_Entry.Accession_date 2002-12-19
_Entry.Last_release_date 2003-08-07
_Entry.Original_release_date 2003-08-07
_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 N. Skelton . J. . 5631
2 M. Koehler . F.T. . 5631
3 K. Zobel . . . 5631
4 W. Wong . L. . 5631
5 S. Yeh . . . 5631
6 M. Pisabarro . T. . 5631
7 J. Yin . P. . 5631
8 L. Lasky . A. . 5631
9 S. Sidhu . S. . 5631
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 2 5631
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 764 5631
'13C chemical shifts' 441 5631
'15N chemical shifts' 107 5631
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 . . 2003-08-07 2002-12-19 original author . 5631
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 5631
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code 22486575
_Citation.DOI .
_Citation.PubMed_ID 12446668
_Citation.Full_citation .
_Citation.Title
;
Origins of PDZ Domain Ligand Specificity: Structure Determination and Mutagenesis
of the Erbin PDZ Domain
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Biol. Chem.'
_Citation.Journal_name_full .
_Citation.Journal_volume 278
_Citation.Journal_issue 9
_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 7645
_Citation.Page_last 7654
_Citation.Year 2003
_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 N. Skelton . J. . 5631 1
2 M. Koehler . F.T. . 5631 1
3 K. Zobel . . . 5631 1
4 W. Wong . L. . 5631 1
5 S. Yeh . . . 5631 1
6 M. Pisabarro . T. . 5631 1
7 J. Yin . P. . 5631 1
8 L. Lasky . A. . 5631 1
9 S. Sidhu . S. . 5631 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'pdz domain' 5631 1
'c-terminal peptide complex' 5631 1
'high affinity ligand' 5631 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_densin-180
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_densin-180
_Assembly.Entry_ID 5631
_Assembly.ID 1
_Assembly.Name '99-mer peptide of densin-180-like protein/phage-derived peptide'
_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
dimer 5631 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 'kalata B1' 1 $kalata . . . native . . . . . 5631 1
2 PEPTIDE 2 $peptide . . . native . . . . . 5631 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 1N7T . . . . . . 5631 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
'99-mer peptide of densin-180-like protein/phage-derived peptide' system 5631 1
'kalata B1' abbreviation 5631 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_kalata
_Entity.Sf_category entity
_Entity.Sf_framecode kalata
_Entity.Entry_ID 5631
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'kalata B1'
_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
;
GSHMGHELAKQEIRVRVEKD
PELGFSISGGVGGRGNPFRP
DDDGIFVTRVQPEGPASKLL
QPGDKIIQANGYSFINIEHG
QAVSLLKTFQNTVELIIVRE
VSS
;
_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 103
_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 2008-08-19
_Entity.DB_query_revised_last_date 2008-08-19
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
. . SWISS-PROT Q96RT1 . 'Protein LAP2 (Erbb2-interacting protein) (Erbin) (Densin-180-like protein)' . . . . . 96.12 1412 100.00 100.00 1.25e-51 . . . . 5631 1
. . REF XP_001162804 . 'PREDICTED: ERBB2 interacting protein isoform 4 [Pan troglodytes]' . . . . . 96.12 1371 100.00 100.00 1.42e-51 . . . . 5631 1
. . REF XP_001162761 . 'PREDICTED: ERBB2 interacting protein isoform 3 [Pan troglodytes]' . . . . . 96.12 1412 100.00 100.00 1.34e-51 . . . . 5631 1
. . REF XP_001162635 . 'PREDICTED: ERBB2 interacting protein isoform 1 [Pan troglodytes]' . . . . . 96.12 1124 100.00 100.00 1.26e-51 . . . . 5631 1
. . REF XP_001088781 . 'PREDICTED: ERBB2 interacting protein [Macaca mulatta]' . . . . . 96.12 1458 100.00 100.00 1.30e-51 . . . . 5631 1
. . REF NP_061165 . 'ERBB2 interacting protein isoform 2 [Homo sapiens]' . . . . . 96.12 1371 100.00 100.00 1.35e-51 . . . . 5631 1
. . GenBank AAK69431 . 'densin-180-like protein [Homo sapiens]' . . . . . 96.12 1412 100.00 100.00 1.27e-51 . . . . 5631 1
. . GenBank AAI26465 . 'Erbb2 interacting protein [Homo sapiens]' . . . . . 96.12 1371 100.00 100.00 1.35e-51 . . . . 5631 1
. . GenBank AAI15016 . 'ERBB2IP protein [Homo sapiens]' . . . . . 96.12 1367 100.00 100.00 1.40e-51 . . . . 5631 1
. . GenBank AAI15013 . 'Erbb2 interacting protein [Homo sapiens]' . . . . . 96.12 1371 98.99 100.00 3.16e-51 . . . . 5631 1
. . GenBank AAF77048 . 'erbb2-interacting protein ERBIN [Homo sapiens]' . . . . . 96.12 1371 100.00 100.00 1.35e-51 . . . . 5631 1
. . DBJ BAG58554 . 'unnamed protein product [Homo sapiens]' . . . . . 96.12 610 100.00 100.00 3.68e-51 . . . . 5631 1
. . DBJ BAG10002 . 'erbb2 interacting protein [synthetic construct]' . . . . . 96.12 1371 100.00 100.00 1.35e-51 . . . . 5631 1
. . DBJ BAA86539 . 'KIAA1225 protein [Homo sapiens]' . . . . . 96.12 1371 100.00 100.00 1.35e-51 . . . . 5631 1
. . PDB 2QBW . 'The Crystal Structure Of Pdz-Fibronectin Fusion Protein' . . . . . 78.64 195 100.00 100.00 2.97e-40 . . . . 5631 1
. . PDB 2H3L . 'Crystal Structure Of Erbin Pdz' . . . . . 100.00 103 100.00 100.00 2.36e-52 . . . . 5631 1
. . PDB 1N7T . 'Erbin Pdz Domain Bound To A Phage-Derived Peptide' . . . . . 100.00 103 100.00 100.00 2.36e-52 . . . . 5631 1
. . PDB 1MFL . 'The Structure Of Erbin Pdz Domain Bound To The Carboxy- Terminal Tail Of The Erbb2 Receptor' . . . . . 89.32 95 100.00 100.00 2.18e-45 . . . . 5631 1
. . PDB 1MFG . 'The Structure Of Erbin Pdz Domain Bound To The Carboxy- Terminal Tail Of The Erbb2 Receptor' . . . . . 89.32 95 100.00 100.00 2.18e-45 . . . . 5631 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'kalata B1' common 5631 1
'kalata B1' abbreviation 5631 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 . GLY . 5631 1
2 . SER . 5631 1
3 . HIS . 5631 1
4 . MET . 5631 1
5 . GLY . 5631 1
6 . HIS . 5631 1
7 . GLU . 5631 1
8 . LEU . 5631 1
9 . ALA . 5631 1
10 . LYS . 5631 1
11 . GLN . 5631 1
12 . GLU . 5631 1
13 . ILE . 5631 1
14 . ARG . 5631 1
15 . VAL . 5631 1
16 . ARG . 5631 1
17 . VAL . 5631 1
18 . GLU . 5631 1
19 . LYS . 5631 1
20 . ASP . 5631 1
21 . PRO . 5631 1
22 . GLU . 5631 1
23 . LEU . 5631 1
24 . GLY . 5631 1
25 . PHE . 5631 1
26 . SER . 5631 1
27 . ILE . 5631 1
28 . SER . 5631 1
29 . GLY . 5631 1
30 . GLY . 5631 1
31 . VAL . 5631 1
32 . GLY . 5631 1
33 . GLY . 5631 1
34 . ARG . 5631 1
35 . GLY . 5631 1
36 . ASN . 5631 1
37 . PRO . 5631 1
38 . PHE . 5631 1
39 . ARG . 5631 1
40 . PRO . 5631 1
41 . ASP . 5631 1
42 . ASP . 5631 1
43 . ASP . 5631 1
44 . GLY . 5631 1
45 . ILE . 5631 1
46 . PHE . 5631 1
47 . VAL . 5631 1
48 . THR . 5631 1
49 . ARG . 5631 1
50 . VAL . 5631 1
51 . GLN . 5631 1
52 . PRO . 5631 1
53 . GLU . 5631 1
54 . GLY . 5631 1
55 . PRO . 5631 1
56 . ALA . 5631 1
57 . SER . 5631 1
58 . LYS . 5631 1
59 . LEU . 5631 1
60 . LEU . 5631 1
61 . GLN . 5631 1
62 . PRO . 5631 1
63 . GLY . 5631 1
64 . ASP . 5631 1
65 . LYS . 5631 1
66 . ILE . 5631 1
67 . ILE . 5631 1
68 . GLN . 5631 1
69 . ALA . 5631 1
70 . ASN . 5631 1
71 . GLY . 5631 1
72 . TYR . 5631 1
73 . SER . 5631 1
74 . PHE . 5631 1
75 . ILE . 5631 1
76 . ASN . 5631 1
77 . ILE . 5631 1
78 . GLU . 5631 1
79 . HIS . 5631 1
80 . GLY . 5631 1
81 . GLN . 5631 1
82 . ALA . 5631 1
83 . VAL . 5631 1
84 . SER . 5631 1
85 . LEU . 5631 1
86 . LEU . 5631 1
87 . LYS . 5631 1
88 . THR . 5631 1
89 . PHE . 5631 1
90 . GLN . 5631 1
91 . ASN . 5631 1
92 . THR . 5631 1
93 . VAL . 5631 1
94 . GLU . 5631 1
95 . LEU . 5631 1
96 . ILE . 5631 1
97 . ILE . 5631 1
98 . VAL . 5631 1
99 . ARG . 5631 1
100 . GLU . 5631 1
101 . VAL . 5631 1
102 . SER . 5631 1
103 . SER . 5631 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
. GLY 1 1 5631 1
. SER 2 2 5631 1
. HIS 3 3 5631 1
. MET 4 4 5631 1
. GLY 5 5 5631 1
. HIS 6 6 5631 1
. GLU 7 7 5631 1
. LEU 8 8 5631 1
. ALA 9 9 5631 1
. LYS 10 10 5631 1
. GLN 11 11 5631 1
. GLU 12 12 5631 1
. ILE 13 13 5631 1
. ARG 14 14 5631 1
. VAL 15 15 5631 1
. ARG 16 16 5631 1
. VAL 17 17 5631 1
. GLU 18 18 5631 1
. LYS 19 19 5631 1
. ASP 20 20 5631 1
. PRO 21 21 5631 1
. GLU 22 22 5631 1
. LEU 23 23 5631 1
. GLY 24 24 5631 1
. PHE 25 25 5631 1
. SER 26 26 5631 1
. ILE 27 27 5631 1
. SER 28 28 5631 1
. GLY 29 29 5631 1
. GLY 30 30 5631 1
. VAL 31 31 5631 1
. GLY 32 32 5631 1
. GLY 33 33 5631 1
. ARG 34 34 5631 1
. GLY 35 35 5631 1
. ASN 36 36 5631 1
. PRO 37 37 5631 1
. PHE 38 38 5631 1
. ARG 39 39 5631 1
. PRO 40 40 5631 1
. ASP 41 41 5631 1
. ASP 42 42 5631 1
. ASP 43 43 5631 1
. GLY 44 44 5631 1
. ILE 45 45 5631 1
. PHE 46 46 5631 1
. VAL 47 47 5631 1
. THR 48 48 5631 1
. ARG 49 49 5631 1
. VAL 50 50 5631 1
. GLN 51 51 5631 1
. PRO 52 52 5631 1
. GLU 53 53 5631 1
. GLY 54 54 5631 1
. PRO 55 55 5631 1
. ALA 56 56 5631 1
. SER 57 57 5631 1
. LYS 58 58 5631 1
. LEU 59 59 5631 1
. LEU 60 60 5631 1
. GLN 61 61 5631 1
. PRO 62 62 5631 1
. GLY 63 63 5631 1
. ASP 64 64 5631 1
. LYS 65 65 5631 1
. ILE 66 66 5631 1
. ILE 67 67 5631 1
. GLN 68 68 5631 1
. ALA 69 69 5631 1
. ASN 70 70 5631 1
. GLY 71 71 5631 1
. TYR 72 72 5631 1
. SER 73 73 5631 1
. PHE 74 74 5631 1
. ILE 75 75 5631 1
. ASN 76 76 5631 1
. ILE 77 77 5631 1
. GLU 78 78 5631 1
. HIS 79 79 5631 1
. GLY 80 80 5631 1
. GLN 81 81 5631 1
. ALA 82 82 5631 1
. VAL 83 83 5631 1
. SER 84 84 5631 1
. LEU 85 85 5631 1
. LEU 86 86 5631 1
. LYS 87 87 5631 1
. THR 88 88 5631 1
. PHE 89 89 5631 1
. GLN 90 90 5631 1
. ASN 91 91 5631 1
. THR 92 92 5631 1
. VAL 93 93 5631 1
. GLU 94 94 5631 1
. LEU 95 95 5631 1
. ILE 96 96 5631 1
. ILE 97 97 5631 1
. VAL 98 98 5631 1
. ARG 99 99 5631 1
. GLU 100 100 5631 1
. VAL 101 101 5631 1
. SER 102 102 5631 1
. SER 103 103 5631 1
stop_
save_
save_peptide
_Entity.Sf_category entity
_Entity.Sf_framecode peptide
_Entity.Entry_ID 5631
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name '99-MER PEPTIDE'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code TGWETWV
_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 7
_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 .
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'99-MER PEPTIDE' common 5631 2
'99-MER PEPTIDE' abbreviation 5631 2
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 301 THR . 5631 2
2 302 GLY . 5631 2
3 303 TRP . 5631 2
4 304 GLU . 5631 2
5 305 THR . 5631 2
6 306 TRP . 5631 2
7 307 VAL . 5631 2
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. THR 1 1 5631 2
. GLY 2 2 5631 2
. TRP 3 3 5631 2
. GLU 4 4 5631 2
. THR 5 5 5631 2
. TRP 6 6 5631 2
. VAL 7 7 5631 2
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 5631
_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 $kalata . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5631 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 5631
_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 $kalata . 'chemical synthesis' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . . . . PLASMID . . . . . . 5631 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 5631
_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 'kalata B1' [U-15N] . . 1 $kalata . . 2 . . mM . . . . 5631 1
2 '99-MER PEPTIDE' . . . 2 $peptide . . 2.2 . . mM . . . . 5631 1
3 'sodium phosphate' . . . . . . . 25 . . mM . . . . 5631 1
4 'sodium chloride' . . . . . . . 50 . . mM . . . . 5631 1
5 H2O . . . . . . . 90 . . % . . . . 5631 1
6 D2O . . . . . . . 10 . . % . . . . 5631 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 5631
_Sample.ID 2
_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 'kalata B1' '[U-15N; U-13C]' . . 1 $kalata . . 2 . . mM . . . . 5631 2
2 '99-MER PEPTIDE' . . . 2 $peptide . . 2.2 . . mM . . . . 5631 2
3 'sodium phosphate' . . . . . . . 25 . . mM . . . . 5631 2
4 'sodium chloride' . . . . . . . 50 . . mM . . . . 5631 2
5 H2O . . . . . . . 90 . . % . . . . 5631 2
6 D2O . . . . . . . 10 . . % . . . . 5631 2
stop_
save_
save_sample_3
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3
_Sample.Entry_ID 5631
_Sample.ID 3
_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 'kalata B1' '[U-15N; U-13C]' . . 1 $kalata . . 2 . . mM . . . . 5631 3
2 '99-MER PEPTIDE' . . . 2 $peptide . . 2.2 . . mM . . . . 5631 3
3 'sodium phosphate' . . . . . . . 25 . . mM . . . . 5631 3
4 'sodium chloride' . . . . . . . 50 . . mM . . . . 5631 3
5 D2O . . . . . . . 100 . . % . . . . 5631 3
stop_
save_
save_sample_4
_Sample.Sf_category sample
_Sample.Sf_framecode sample_4
_Sample.Entry_ID 5631
_Sample.ID 4
_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 'kalata B1' [U-15N] . . 1 $kalata . . 2 . . mM . . . . 5631 4
2 '99-MER PEPTIDE' . . . 2 $peptide . . 2.2 . . mM . . . . 5631 4
3 'sodium phosphate' . . . . . . . 25 . . mM . . . . 5631 4
4 'sodium chloride' . . . . . . . 50 . . mM . . . . 5631 4
5 Pf1_phage . . . . . . . 15 . . mg/ml . . . . 5631 4
6 H2O . . . . . . . 90 . . % . . . . 5631 4
7 D2O . . . . . . . 10 . . % . . . . 5631 4
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_cond_1
_Sample_condition_list.Entry_ID 5631
_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 6.5 . n/a 5631 1
temperature 298 . K 5631 1
'ionic strength' 250 . mM 5631 1
pressure 1 . atm 5631 1
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Software.Sf_category software
_Software.Sf_framecode XWINNMR
_Software.Entry_ID 5631
_Software.ID 1
_Software.Name XWINNMR
_Software.Version 3.1
_Software.Details bruker
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 5631 1
stop_
save_
save_FELIX
_Software.Sf_category software
_Software.Sf_framecode FELIX
_Software.Entry_ID 5631
_Software.ID 2
_Software.Name FELIX
_Software.Version 98
_Software.Details Accelrys
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 5631 2
stop_
save_
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 5631
_Software.ID 3
_Software.Name CNS
_Software.Version 2000.1
_Software.Details Accelrys
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 5631 3
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 5631
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DRX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 5631
_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 DRX . 800 . . . 5631 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 5631
_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 3D_15N-separated_NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 1
2 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 1
3 3D-HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 1
4 '3D 15N-separated low mixing time TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 1
5 '2D-15N-filtered NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 1
6 3D_13C-separated_NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 1
7 3D-13_filtered . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 1
8 '13C-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 1
9 '2D-13C-filtered NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 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 5631
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name 3D_15N-separated_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_2
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2
_NMR_spec_expt.Entry_ID 5631
_NMR_spec_expt.ID 2
_NMR_spec_expt.Name HNHA
_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 5631
_NMR_spec_expt.ID 3
_NMR_spec_expt.Name 3D-HNHB
_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 5631
_NMR_spec_expt.ID 4
_NMR_spec_expt.Name '3D 15N-separated low mixing time 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_5
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5
_NMR_spec_expt.Entry_ID 5631
_NMR_spec_expt.ID 5
_NMR_spec_expt.Name '2D-15N-filtered 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_6
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6
_NMR_spec_expt.Entry_ID 5631
_NMR_spec_expt.ID 6
_NMR_spec_expt.Name 3D_13C-separated_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_7
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7
_NMR_spec_expt.Entry_ID 5631
_NMR_spec_expt.ID 7
_NMR_spec_expt.Name 3D-13_filtered
_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 5631
_NMR_spec_expt.ID 8
_NMR_spec_expt.Name '13C-edited 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_9
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9
_NMR_spec_expt.Entry_ID 5631
_NMR_spec_expt.ID 9
_NMR_spec_expt.Name '2D-13C-filtered 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_
####################
# 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 5631
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
H 1 . . . . . . ppm . . . . . . . . . . . . . 5631 1
N 15 . . . . . . ppm . . . . . . . . . . . . . 5631 1
C 13 . . . . . . ppm . . . . . . . . . . . . . 5631 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5631
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_1 . 5631 1
. . 2 $sample_2 . 5631 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 GLY HA2 H 1 3.84 0.03 . 1 . . . . . . . . 5631 1
2 . 1 1 1 1 GLY HA3 H 1 3.84 0.03 . 1 . . . . . . . . 5631 1
3 . 1 1 1 1 GLY CA C 13 43.20 0.30 . 1 . . . . . . . . 5631 1
4 . 1 1 3 3 HIS HA H 1 4.67 0.03 . 1 . . . . . . . . 5631 1
5 . 1 1 3 3 HIS HD2 H 1 7.03 0.03 . 1 . . . . . . . . 5631 1
6 . 1 1 3 3 HIS HE1 H 1 8.10 0.03 . 1 . . . . . . . . 5631 1
7 . 1 1 3 3 HIS CA C 13 55.77 0.30 . 1 . . . . . . . . 5631 1
8 . 1 1 3 3 HIS CB C 13 29.79 0.30 . 1 . . . . . . . . 5631 1
9 . 1 1 3 3 HIS CD2 C 13 156.00 0.30 . 1 . . . . . . . . 5631 1
10 . 1 1 3 3 HIS CE1 C 13 137.50 0.30 . 1 . . . . . . . . 5631 1
11 . 1 1 4 4 MET H H 1 8.42 0.03 . 1 . . . . . . . . 5631 1
12 . 1 1 4 4 MET HA H 1 4.42 0.03 . 1 . . . . . . . . 5631 1
13 . 1 1 4 4 MET HB2 H 1 2.04 0.03 . 2 . . . . . . . . 5631 1
14 . 1 1 4 4 MET HB3 H 1 1.92 0.03 . 2 . . . . . . . . 5631 1
15 . 1 1 4 4 MET HG2 H 1 2.50 0.03 . 2 . . . . . . . . 5631 1
16 . 1 1 4 4 MET HG3 H 1 2.40 0.03 . 2 . . . . . . . . 5631 1
17 . 1 1 4 4 MET C C 13 176.45 0.10 . 1 . . . . . . . . 5631 1
18 . 1 1 4 4 MET CA C 13 55.50 0.30 . 1 . . . . . . . . 5631 1
19 . 1 1 4 4 MET CB C 13 32.50 0.30 . 1 . . . . . . . . 5631 1
20 . 1 1 4 4 MET CG C 13 31.90 0.30 . 1 . . . . . . . . 5631 1
21 . 1 1 4 4 MET N N 15 121.86 0.40 . 1 . . . . . . . . 5631 1
22 . 1 1 5 5 GLY H H 1 8.44 0.03 . 1 . . . . . . . . 5631 1
23 . 1 1 5 5 GLY HA2 H 1 3.93 0.03 . 2 . . . . . . . . 5631 1
24 . 1 1 5 5 GLY HA3 H 1 3.88 0.03 . 2 . . . . . . . . 5631 1
25 . 1 1 5 5 GLY C C 13 173.79 0.10 . 1 . . . . . . . . 5631 1
26 . 1 1 5 5 GLY CA C 13 45.20 0.30 . 1 . . . . . . . . 5631 1
27 . 1 1 5 5 GLY N N 15 110.00 0.40 . 1 . . . . . . . . 5631 1
28 . 1 1 6 6 HIS H H 1 8.20 0.03 . 1 . . . . . . . . 5631 1
29 . 1 1 6 6 HIS HA H 1 4.63 0.03 . 1 . . . . . . . . 5631 1
30 . 1 1 6 6 HIS HB2 H 1 3.14 0.03 . 2 . . . . . . . . 5631 1
31 . 1 1 6 6 HIS HB3 H 1 3.08 0.03 . 2 . . . . . . . . 5631 1
32 . 1 1 6 6 HIS HD2 H 1 7.03 0.03 . 1 . . . . . . . . 5631 1
33 . 1 1 6 6 HIS HE1 H 1 8.00 0.03 . 1 . . . . . . . . 5631 1
34 . 1 1 6 6 HIS C C 13 174.77 0.10 . 1 . . . . . . . . 5631 1
35 . 1 1 6 6 HIS CA C 13 56.00 0.30 . 1 . . . . . . . . 5631 1
36 . 1 1 6 6 HIS CB C 13 30.20 0.30 . 1 . . . . . . . . 5631 1
37 . 1 1 6 6 HIS CD2 C 13 155.90 0.30 . 1 . . . . . . . . 5631 1
38 . 1 1 6 6 HIS CE1 C 13 137.80 0.30 . 1 . . . . . . . . 5631 1
39 . 1 1 6 6 HIS N N 15 118.78 0.40 . 1 . . . . . . . . 5631 1
40 . 1 1 7 7 GLU H H 1 8.52 0.03 . 1 . . . . . . . . 5631 1
41 . 1 1 7 7 GLU HA H 1 4.26 0.03 . 1 . . . . . . . . 5631 1
42 . 1 1 7 7 GLU HB3 H 1 1.89 0.03 . 2 . . . . . . . . 5631 1
43 . 1 1 7 7 GLU HG2 H 1 2.19 0.03 . 1 . . . . . . . . 5631 1
44 . 1 1 7 7 GLU HG3 H 1 2.19 0.03 . 1 . . . . . . . . 5631 1
45 . 1 1 7 7 GLU C C 13 176.09 0.10 . 1 . . . . . . . . 5631 1
46 . 1 1 7 7 GLU CA C 13 56.40 0.30 . 1 . . . . . . . . 5631 1
47 . 1 1 7 7 GLU CB C 13 30.20 0.30 . 1 . . . . . . . . 5631 1
48 . 1 1 7 7 GLU CG C 13 36.00 0.30 . 1 . . . . . . . . 5631 1
49 . 1 1 7 7 GLU N N 15 122.31 0.40 . 1 . . . . . . . . 5631 1
50 . 1 1 8 8 LEU H H 1 8.28 0.03 . 1 . . . . . . . . 5631 1
51 . 1 1 8 8 LEU HA H 1 4.40 0.03 . 1 . . . . . . . . 5631 1
52 . 1 1 8 8 LEU HB2 H 1 1.60 0.03 . 2 . . . . . . . . 5631 1
53 . 1 1 8 8 LEU HB3 H 1 1.53 0.03 . 2 . . . . . . . . 5631 1
54 . 1 1 8 8 LEU HG H 1 1.59 0.03 . 1 . . . . . . . . 5631 1
55 . 1 1 8 8 LEU HD11 H 1 0.86 0.03 . 1 . . . . . . . . 5631 1
56 . 1 1 8 8 LEU HD12 H 1 0.86 0.03 . 1 . . . . . . . . 5631 1
57 . 1 1 8 8 LEU HD13 H 1 0.86 0.03 . 1 . . . . . . . . 5631 1
58 . 1 1 8 8 LEU HD21 H 1 0.81 0.03 . 1 . . . . . . . . 5631 1
59 . 1 1 8 8 LEU HD22 H 1 0.81 0.03 . 1 . . . . . . . . 5631 1
60 . 1 1 8 8 LEU HD23 H 1 0.81 0.03 . 1 . . . . . . . . 5631 1
61 . 1 1 8 8 LEU C C 13 176.73 0.10 . 1 . . . . . . . . 5631 1
62 . 1 1 8 8 LEU CA C 13 54.70 0.30 . 1 . . . . . . . . 5631 1
63 . 1 1 8 8 LEU CB C 13 42.50 0.30 . 1 . . . . . . . . 5631 1
64 . 1 1 8 8 LEU CG C 13 27.10 0.30 . 1 . . . . . . . . 5631 1
65 . 1 1 8 8 LEU CD1 C 13 61.10 0.30 . 1 . . . . . . . . 5631 1
66 . 1 1 8 8 LEU CD2 C 13 59.50 0.30 . 1 . . . . . . . . 5631 1
67 . 1 1 8 8 LEU N N 15 123.54 0.40 . 1 . . . . . . . . 5631 1
68 . 1 1 9 9 ALA H H 1 8.40 0.03 . 1 . . . . . . . . 5631 1
69 . 1 1 9 9 ALA HA H 1 4.38 0.03 . 1 . . . . . . . . 5631 1
70 . 1 1 9 9 ALA HB1 H 1 1.37 0.03 . 1 . . . . . . . . 5631 1
71 . 1 1 9 9 ALA HB2 H 1 1.37 0.03 . 1 . . . . . . . . 5631 1
72 . 1 1 9 9 ALA HB3 H 1 1.37 0.03 . 1 . . . . . . . . 5631 1
73 . 1 1 9 9 ALA C C 13 176.57 0.10 . 1 . . . . . . . . 5631 1
74 . 1 1 9 9 ALA CA C 13 51.70 0.30 . 1 . . . . . . . . 5631 1
75 . 1 1 9 9 ALA CB C 13 19.80 0.30 . 1 . . . . . . . . 5631 1
76 . 1 1 9 9 ALA N N 15 125.16 0.40 . 1 . . . . . . . . 5631 1
77 . 1 1 10 10 LYS H H 1 8.16 0.03 . 1 . . . . . . . . 5631 1
78 . 1 1 10 10 LYS HA H 1 4.70 0.03 . 1 . . . . . . . . 5631 1
79 . 1 1 10 10 LYS HB2 H 1 1.64 0.03 . 1 . . . . . . . . 5631 1
80 . 1 1 10 10 LYS HB3 H 1 1.64 0.03 . 1 . . . . . . . . 5631 1
81 . 1 1 10 10 LYS HG2 H 1 1.42 0.03 . 2 . . . . . . . . 5631 1
82 . 1 1 10 10 LYS HG3 H 1 1.29 0.03 . 2 . . . . . . . . 5631 1
83 . 1 1 10 10 LYS HD2 H 1 1.58 0.03 . 1 . . . . . . . . 5631 1
84 . 1 1 10 10 LYS HD3 H 1 1.58 0.03 . 1 . . . . . . . . 5631 1
85 . 1 1 10 10 LYS HE2 H 1 2.95 0.03 . 1 . . . . . . . . 5631 1
86 . 1 1 10 10 LYS HE3 H 1 2.95 0.03 . 1 . . . . . . . . 5631 1
87 . 1 1 10 10 LYS C C 13 175.88 0.10 . 1 . . . . . . . . 5631 1
88 . 1 1 10 10 LYS CA C 13 55.50 0.30 . 1 . . . . . . . . 5631 1
89 . 1 1 10 10 LYS CB C 13 34.20 0.30 . 1 . . . . . . . . 5631 1
90 . 1 1 10 10 LYS CG C 13 25.20 0.30 . 1 . . . . . . . . 5631 1
91 . 1 1 10 10 LYS CD C 13 29.10 0.30 . 1 . . . . . . . . 5631 1
92 . 1 1 10 10 LYS CE C 13 41.90 0.30 . 1 . . . . . . . . 5631 1
93 . 1 1 10 10 LYS N N 15 119.00 0.40 . 1 . . . . . . . . 5631 1
94 . 1 1 11 11 GLN H H 1 8.78 0.03 . 1 . . . . . . . . 5631 1
95 . 1 1 11 11 GLN HA H 1 4.53 0.03 . 1 . . . . . . . . 5631 1
96 . 1 1 11 11 GLN HB2 H 1 1.96 0.03 . 2 . . . . . . . . 5631 1
97 . 1 1 11 11 GLN HB3 H 1 1.88 0.03 . 2 . . . . . . . . 5631 1
98 . 1 1 11 11 GLN HG2 H 1 2.22 0.03 . 1 . . . . . . . . 5631 1
99 . 1 1 11 11 GLN HG3 H 1 2.22 0.03 . 1 . . . . . . . . 5631 1
100 . 1 1 11 11 GLN HE21 H 1 6.77 0.03 . 1 . . . . . . . . 5631 1
101 . 1 1 11 11 GLN HE22 H 1 7.30 0.03 . 1 . . . . . . . . 5631 1
102 . 1 1 11 11 GLN C C 13 173.94 0.10 . 1 . . . . . . . . 5631 1
103 . 1 1 11 11 GLN CA C 13 54.50 0.30 . 1 . . . . . . . . 5631 1
104 . 1 1 11 11 GLN CB C 13 31.40 0.30 . 1 . . . . . . . . 5631 1
105 . 1 1 11 11 GLN CG C 13 33.60 0.30 . 1 . . . . . . . . 5631 1
106 . 1 1 11 11 GLN N N 15 121.58 0.40 . 1 . . . . . . . . 5631 1
107 . 1 1 11 11 GLN NE2 N 15 110.86 0.40 . 1 . . . . . . . . 5631 1
108 . 1 1 12 12 GLU H H 1 8.39 0.03 . 1 . . . . . . . . 5631 1
109 . 1 1 12 12 GLU HA H 1 5.18 0.03 . 1 . . . . . . . . 5631 1
110 . 1 1 12 12 GLU HB3 H 1 1.78 0.03 . 2 . . . . . . . . 5631 1
111 . 1 1 12 12 GLU HG2 H 1 2.08 0.03 . 2 . . . . . . . . 5631 1
112 . 1 1 12 12 GLU HG3 H 1 1.88 0.03 . 2 . . . . . . . . 5631 1
113 . 1 1 12 12 GLU C C 13 176.38 0.10 . 1 . . . . . . . . 5631 1
114 . 1 1 12 12 GLU CA C 13 55.00 0.30 . 1 . . . . . . . . 5631 1
115 . 1 1 12 12 GLU CB C 13 31.00 0.30 . 1 . . . . . . . . 5631 1
116 . 1 1 12 12 GLU CG C 13 37.10 0.30 . 1 . . . . . . . . 5631 1
117 . 1 1 12 12 GLU N N 15 124.31 0.40 . 1 . . . . . . . . 5631 1
118 . 1 1 13 13 ILE H H 1 9.22 0.03 . 1 . . . . . . . . 5631 1
119 . 1 1 13 13 ILE HA H 1 4.28 0.03 . 1 . . . . . . . . 5631 1
120 . 1 1 13 13 ILE HB H 1 1.47 0.03 . 1 . . . . . . . . 5631 1
121 . 1 1 13 13 ILE HG12 H 1 1.29 0.03 . 2 . . . . . . . . 5631 1
122 . 1 1 13 13 ILE HG13 H 1 0.86 0.03 . 2 . . . . . . . . 5631 1
123 . 1 1 13 13 ILE HG21 H 1 0.77 0.03 . 1 . . . . . . . . 5631 1
124 . 1 1 13 13 ILE HG22 H 1 0.77 0.03 . 1 . . . . . . . . 5631 1
125 . 1 1 13 13 ILE HG23 H 1 0.77 0.03 . 1 . . . . . . . . 5631 1
126 . 1 1 13 13 ILE HD11 H 1 0.65 0.03 . 1 . . . . . . . . 5631 1
127 . 1 1 13 13 ILE HD12 H 1 0.65 0.03 . 1 . . . . . . . . 5631 1
128 . 1 1 13 13 ILE HD13 H 1 0.65 0.03 . 1 . . . . . . . . 5631 1
129 . 1 1 13 13 ILE C C 13 173.44 0.10 . 1 . . . . . . . . 5631 1
130 . 1 1 13 13 ILE CA C 13 60.20 0.30 . 1 . . . . . . . . 5631 1
131 . 1 1 13 13 ILE CB C 13 41.50 0.30 . 1 . . . . . . . . 5631 1
132 . 1 1 13 13 ILE CG1 C 13 27.10 0.30 . 1 . . . . . . . . 5631 1
133 . 1 1 13 13 ILE CG2 C 13 17.30 0.30 . 1 . . . . . . . . 5631 1
134 . 1 1 13 13 ILE CD1 C 13 13.54 0.30 . 1 . . . . . . . . 5631 1
135 . 1 1 13 13 ILE N N 15 126.38 0.40 . 1 . . . . . . . . 5631 1
136 . 1 1 14 14 ARG H H 1 8.40 0.03 . 1 . . . . . . . . 5631 1
137 . 1 1 14 14 ARG HA H 1 5.21 0.03 . 1 . . . . . . . . 5631 1
138 . 1 1 14 14 ARG HB2 H 1 1.74 0.03 . 2 . . . . . . . . 5631 1
139 . 1 1 14 14 ARG HB3 H 1 1.62 0.03 . 2 . . . . . . . . 5631 1
140 . 1 1 14 14 ARG HG2 H 1 1.49 0.03 . 2 . . . . . . . . 5631 1
141 . 1 1 14 14 ARG HG3 H 1 1.29 0.03 . 2 . . . . . . . . 5631 1
142 . 1 1 14 14 ARG HD2 H 1 3.08 0.03 . 1 . . . . . . . . 5631 1
143 . 1 1 14 14 ARG HD3 H 1 3.08 0.03 . 1 . . . . . . . . 5631 1
144 . 1 1 14 14 ARG C C 13 175.94 0.10 . 1 . . . . . . . . 5631 1
145 . 1 1 14 14 ARG CA C 13 54.50 0.30 . 1 . . . . . . . . 5631 1
146 . 1 1 14 14 ARG CB C 13 31.40 0.30 . 1 . . . . . . . . 5631 1
147 . 1 1 14 14 ARG CG C 13 27.60 0.30 . 1 . . . . . . . . 5631 1
148 . 1 1 14 14 ARG CD C 13 43.20 0.30 . 1 . . . . . . . . 5631 1
149 . 1 1 14 14 ARG N N 15 126.48 0.40 . 1 . . . . . . . . 5631 1
150 . 1 1 15 15 VAL H H 1 9.03 0.03 . 1 . . . . . . . . 5631 1
151 . 1 1 15 15 VAL HA H 1 4.55 0.03 . 1 . . . . . . . . 5631 1
152 . 1 1 15 15 VAL HB H 1 1.85 0.03 . 1 . . . . . . . . 5631 1
153 . 1 1 15 15 VAL HG11 H 1 0.79 0.03 . 1 . . . . . . . . 5631 1
154 . 1 1 15 15 VAL HG12 H 1 0.79 0.03 . 1 . . . . . . . . 5631 1
155 . 1 1 15 15 VAL HG13 H 1 0.79 0.03 . 1 . . . . . . . . 5631 1
156 . 1 1 15 15 VAL HG21 H 1 0.69 0.03 . 1 . . . . . . . . 5631 1
157 . 1 1 15 15 VAL HG22 H 1 0.69 0.03 . 1 . . . . . . . . 5631 1
158 . 1 1 15 15 VAL HG23 H 1 0.69 0.03 . 1 . . . . . . . . 5631 1
159 . 1 1 15 15 VAL C C 13 173.28 0.10 . 1 . . . . . . . . 5631 1
160 . 1 1 15 15 VAL CA C 13 59.60 0.30 . 1 . . . . . . . . 5631 1
161 . 1 1 15 15 VAL CB C 13 35.90 0.30 . 1 . . . . . . . . 5631 1
162 . 1 1 15 15 VAL CG1 C 13 58.10 0.30 . 1 . . . . . . . . 5631 1
163 . 1 1 15 15 VAL CG2 C 13 56.10 0.30 . 1 . . . . . . . . 5631 1
164 . 1 1 15 15 VAL N N 15 122.36 0.40 . 1 . . . . . . . . 5631 1
165 . 1 1 16 16 ARG H H 1 8.37 0.03 . 1 . . . . . . . . 5631 1
166 . 1 1 16 16 ARG HA H 1 5.13 0.03 . 1 . . . . . . . . 5631 1
167 . 1 1 16 16 ARG HB2 H 1 1.62 0.03 . 2 . . . . . . . . 5631 1
168 . 1 1 16 16 ARG HB3 H 1 1.56 0.03 . 2 . . . . . . . . 5631 1
169 . 1 1 16 16 ARG HG2 H 1 1.45 0.03 . 2 . . . . . . . . 5631 1
170 . 1 1 16 16 ARG HG3 H 1 1.29 0.03 . 2 . . . . . . . . 5631 1
171 . 1 1 16 16 ARG HD2 H 1 3.17 0.03 . 2 . . . . . . . . 5631 1
172 . 1 1 16 16 ARG HD3 H 1 3.10 0.03 . 2 . . . . . . . . 5631 1
173 . 1 1 16 16 ARG HE H 1 7.44 0.03 . 1 . . . . . . . . 5631 1
174 . 1 1 16 16 ARG C C 13 174.41 0.10 . 1 . . . . . . . . 5631 1
175 . 1 1 16 16 ARG CA C 13 54.60 0.30 . 1 . . . . . . . . 5631 1
176 . 1 1 16 16 ARG CB C 13 32.00 0.30 . 1 . . . . . . . . 5631 1
177 . 1 1 16 16 ARG CG C 13 27.80 0.30 . 1 . . . . . . . . 5631 1
178 . 1 1 16 16 ARG CD C 13 43.20 0.30 . 1 . . . . . . . . 5631 1
179 . 1 1 16 16 ARG N N 15 124.76 0.40 . 1 . . . . . . . . 5631 1
180 . 1 1 16 16 ARG NE N 15 109.64 0.40 . 1 . . . . . . . . 5631 1
181 . 1 1 17 17 VAL H H 1 8.87 0.03 . 1 . . . . . . . . 5631 1
182 . 1 1 17 17 VAL HA H 1 4.19 0.03 . 1 . . . . . . . . 5631 1
183 . 1 1 17 17 VAL HB H 1 1.87 0.03 . 1 . . . . . . . . 5631 1
184 . 1 1 17 17 VAL HG11 H 1 1.01 0.03 . 1 . . . . . . . . 5631 1
185 . 1 1 17 17 VAL HG12 H 1 1.01 0.03 . 1 . . . . . . . . 5631 1
186 . 1 1 17 17 VAL HG13 H 1 1.01 0.03 . 1 . . . . . . . . 5631 1
187 . 1 1 17 17 VAL HG21 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1
188 . 1 1 17 17 VAL HG22 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1
189 . 1 1 17 17 VAL HG23 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1
190 . 1 1 17 17 VAL C C 13 173.93 0.10 . 1 . . . . . . . . 5631 1
191 . 1 1 17 17 VAL CA C 13 60.70 0.30 . 1 . . . . . . . . 5631 1
192 . 1 1 17 17 VAL CB C 13 34.40 0.30 . 1 . . . . . . . . 5631 1
193 . 1 1 17 17 VAL CG1 C 13 59.00 0.30 . 1 . . . . . . . . 5631 1
194 . 1 1 17 17 VAL CG2 C 13 57.30 0.30 . 1 . . . . . . . . 5631 1
195 . 1 1 17 17 VAL N N 15 123.91 0.40 . 1 . . . . . . . . 5631 1
196 . 1 1 18 18 GLU H H 1 8.49 0.03 . 1 . . . . . . . . 5631 1
197 . 1 1 18 18 GLU HA H 1 4.62 0.03 . 1 . . . . . . . . 5631 1
198 . 1 1 18 18 GLU HB2 H 1 1.84 0.03 . 1 . . . . . . . . 5631 1
199 . 1 1 18 18 GLU HB3 H 1 1.94 0.03 . 1 . . . . . . . . 5631 1
200 . 1 1 18 18 GLU HG2 H 1 2.17 0.03 . 1 . . . . . . . . 5631 1
201 . 1 1 18 18 GLU HG3 H 1 2.17 0.03 . 1 . . . . . . . . 5631 1
202 . 1 1 18 18 GLU C C 13 175.11 0.10 . 1 . . . . . . . . 5631 1
203 . 1 1 18 18 GLU CA C 13 54.60 0.30 . 1 . . . . . . . . 5631 1
204 . 1 1 18 18 GLU CB C 13 30.20 0.30 . 1 . . . . . . . . 5631 1
205 . 1 1 18 18 GLU CG C 13 35.50 0.30 . 1 . . . . . . . . 5631 1
206 . 1 1 18 18 GLU N N 15 127.10 0.40 . 1 . . . . . . . . 5631 1
207 . 1 1 19 19 LYS H H 1 8.09 0.03 . 1 . . . . . . . . 5631 1
208 . 1 1 19 19 LYS HA H 1 3.87 0.03 . 1 . . . . . . . . 5631 1
209 . 1 1 19 19 LYS HB2 H 1 1.61 0.03 . 1 . . . . . . . . 5631 1
210 . 1 1 19 19 LYS HB3 H 1 1.61 0.03 . 1 . . . . . . . . 5631 1
211 . 1 1 19 19 LYS HG2 H 1 1.52 0.03 . 1 . . . . . . . . 5631 1
212 . 1 1 19 19 LYS HG3 H 1 1.52 0.03 . 1 . . . . . . . . 5631 1
213 . 1 1 19 19 LYS HD2 H 1 1.64 0.03 . 1 . . . . . . . . 5631 1
214 . 1 1 19 19 LYS HD3 H 1 1.64 0.03 . 1 . . . . . . . . 5631 1
215 . 1 1 19 19 LYS HE2 H 1 2.99 0.03 . 2 . . . . . . . . 5631 1
216 . 1 1 19 19 LYS HE3 H 1 2.82 0.03 . 2 . . . . . . . . 5631 1
217 . 1 1 19 19 LYS C C 13 177.15 0.10 . 1 . . . . . . . . 5631 1
218 . 1 1 19 19 LYS CA C 13 57.30 0.30 . 1 . . . . . . . . 5631 1
219 . 1 1 19 19 LYS CB C 13 31.80 0.30 . 1 . . . . . . . . 5631 1
220 . 1 1 19 19 LYS CG C 13 27.40 0.30 . 1 . . . . . . . . 5631 1
221 . 1 1 19 19 LYS CD C 13 29.70 0.30 . 1 . . . . . . . . 5631 1
222 . 1 1 19 19 LYS CE C 13 42.40 0.30 . 1 . . . . . . . . 5631 1
223 . 1 1 19 19 LYS N N 15 122.05 0.40 . 1 . . . . . . . . 5631 1
224 . 1 1 20 20 ASP H H 1 8.22 0.03 . 1 . . . . . . . . 5631 1
225 . 1 1 20 20 ASP HA H 1 5.01 0.03 . 1 . . . . . . . . 5631 1
226 . 1 1 20 20 ASP HB2 H 1 2.67 0.03 . 2 . . . . . . . . 5631 1
227 . 1 1 20 20 ASP HB3 H 1 2.47 0.03 . 2 . . . . . . . . 5631 1
228 . 1 1 20 20 ASP CA C 13 53.60 0.30 . 1 . . . . . . . . 5631 1
229 . 1 1 20 20 ASP CB C 13 42.00 0.30 . 1 . . . . . . . . 5631 1
230 . 1 1 20 20 ASP N N 15 120.36 0.40 . 1 . . . . . . . . 5631 1
231 . 1 1 21 21 PRO HA H 1 4.42 0.03 . 1 . . . . . . . . 5631 1
232 . 1 1 21 21 PRO HB2 H 1 2.27 0.03 . 2 . . . . . . . . 5631 1
233 . 1 1 21 21 PRO HB3 H 1 2.21 0.03 . 2 . . . . . . . . 5631 1
234 . 1 1 21 21 PRO HG2 H 1 2.02 0.03 . 2 . . . . . . . . 5631 1
235 . 1 1 21 21 PRO HG3 H 1 1.81 0.03 . 2 . . . . . . . . 5631 1
236 . 1 1 21 21 PRO HD2 H 1 3.72 0.03 . 2 . . . . . . . . 5631 1
237 . 1 1 21 21 PRO HD3 H 1 3.59 0.03 . 2 . . . . . . . . 5631 1
238 . 1 1 21 21 PRO C C 13 177.01 0.10 . 1 . . . . . . . . 5631 1
239 . 1 1 21 21 PRO CA C 13 64.60 0.30 . 1 . . . . . . . . 5631 1
240 . 1 1 21 21 PRO CB C 13 33.60 0.30 . 1 . . . . . . . . 5631 1
241 . 1 1 21 21 PRO CG C 13 23.60 0.30 . 1 . . . . . . . . 5631 1
242 . 1 1 21 21 PRO CD C 13 14.50 0.30 . 1 . . . . . . . . 5631 1
243 . 1 1 22 22 GLU H H 1 7.83 0.03 . 1 . . . . . . . . 5631 1
244 . 1 1 22 22 GLU HA H 1 4.69 0.03 . 1 . . . . . . . . 5631 1
245 . 1 1 22 22 GLU HB2 H 1 1.89 0.03 . 1 . . . . . . . . 5631 1
246 . 1 1 22 22 GLU HB3 H 1 2.67 0.03 . 1 . . . . . . . . 5631 1
247 . 1 1 22 22 GLU HG2 H 1 2.17 0.03 . 1 . . . . . . . . 5631 1
248 . 1 1 22 22 GLU HG3 H 1 2.17 0.03 . 1 . . . . . . . . 5631 1
249 . 1 1 22 22 GLU C C 13 175.72 0.10 . 1 . . . . . . . . 5631 1
250 . 1 1 22 22 GLU CA C 13 54.70 0.30 . 1 . . . . . . . . 5631 1
251 . 1 1 22 22 GLU CB C 13 30.50 0.30 . 1 . . . . . . . . 5631 1
252 . 1 1 22 22 GLU CG C 13 36.90 0.30 . 1 . . . . . . . . 5631 1
253 . 1 1 22 22 GLU N N 15 122.75 0.40 . 1 . . . . . . . . 5631 1
254 . 1 1 23 23 LEU H H 1 11.22 0.06 . 1 . . . . . . . . 5631 1
255 . 1 1 23 23 LEU HA H 1 4.26 0.03 . 1 . . . . . . . . 5631 1
256 . 1 1 23 23 LEU HB2 H 1 1.45 0.03 . 1 . . . . . . . . 5631 1
257 . 1 1 23 23 LEU HB3 H 1 1.45 0.03 . 1 . . . . . . . . 5631 1
258 . 1 1 23 23 LEU HG H 1 1.55 0.03 . 1 . . . . . . . . 5631 1
259 . 1 1 23 23 LEU HD11 H 1 0.85 0.03 . 1 . . . . . . . . 5631 1
260 . 1 1 23 23 LEU HD12 H 1 0.85 0.03 . 1 . . . . . . . . 5631 1
261 . 1 1 23 23 LEU HD13 H 1 0.85 0.03 . 1 . . . . . . . . 5631 1
262 . 1 1 23 23 LEU HD21 H 1 0.80 0.03 . 1 . . . . . . . . 5631 1
263 . 1 1 23 23 LEU HD22 H 1 0.80 0.03 . 1 . . . . . . . . 5631 1
264 . 1 1 23 23 LEU HD23 H 1 0.80 0.03 . 1 . . . . . . . . 5631 1
265 . 1 1 23 23 LEU C C 13 177.26 0.10 . 1 . . . . . . . . 5631 1
266 . 1 1 23 23 LEU CA C 13 57.10 0.30 . 1 . . . . . . . . 5631 1
267 . 1 1 23 23 LEU CB C 13 41.60 0.30 . 1 . . . . . . . . 5631 1
268 . 1 1 23 23 LEU CG C 13 27.90 0.30 . 1 . . . . . . . . 5631 1
269 . 1 1 23 23 LEU CD1 C 13 62.60 0.30 . 1 . . . . . . . . 5631 1
270 . 1 1 23 23 LEU CD2 C 13 60.60 0.30 . 1 . . . . . . . . 5631 1
271 . 1 1 23 23 LEU N N 15 124.20 0.40 . 1 . . . . . . . . 5631 1
272 . 1 1 24 24 GLY H H 1 9.01 0.03 . 1 . . . . . . . . 5631 1
273 . 1 1 24 24 GLY HA2 H 1 4.23 0.03 . 2 . . . . . . . . 5631 1
274 . 1 1 24 24 GLY HA3 H 1 4.11 0.03 . 2 . . . . . . . . 5631 1
275 . 1 1 24 24 GLY C C 13 176.61 0.10 . 1 . . . . . . . . 5631 1
276 . 1 1 24 24 GLY CA C 13 46.50 0.30 . 1 . . . . . . . . 5631 1
277 . 1 1 24 24 GLY N N 15 102.70 0.40 . 1 . . . . . . . . 5631 1
278 . 1 1 25 25 PHE H H 1 7.93 0.03 . 1 . . . . . . . . 5631 1
279 . 1 1 25 25 PHE HA H 1 5.27 0.03 . 1 . . . . . . . . 5631 1
280 . 1 1 25 25 PHE HB2 H 1 3.35 0.03 . 1 . . . . . . . . 5631 1
281 . 1 1 25 25 PHE HB3 H 1 2.94 0.03 . 1 . . . . . . . . 5631 1
282 . 1 1 25 25 PHE HD1 H 1 6.82 0.03 . 1 . . . . . . . . 5631 1
283 . 1 1 25 25 PHE HD2 H 1 6.82 0.03 . 1 . . . . . . . . 5631 1
284 . 1 1 25 25 PHE HE1 H 1 6.79 0.03 . 1 . . . . . . . . 5631 1
285 . 1 1 25 25 PHE HE2 H 1 6.79 0.03 . 1 . . . . . . . . 5631 1
286 . 1 1 25 25 PHE HZ H 1 6.70 0.03 . 1 . . . . . . . . 5631 1
287 . 1 1 25 25 PHE C C 13 170.39 0.10 . 1 . . . . . . . . 5631 1
288 . 1 1 25 25 PHE CA C 13 56.20 0.30 . 1 . . . . . . . . 5631 1
289 . 1 1 25 25 PHE CB C 13 40.90 0.30 . 1 . . . . . . . . 5631 1
290 . 1 1 25 25 PHE CD1 C 13 132.65 0.30 . 1 . . . . . . . . 5631 1
291 . 1 1 25 25 PHE CD2 C 13 132.65 0.30 . 1 . . . . . . . . 5631 1
292 . 1 1 25 25 PHE CE1 C 13 130.80 0.30 . 1 . . . . . . . . 5631 1
293 . 1 1 25 25 PHE CE2 C 13 130.80 0.30 . 1 . . . . . . . . 5631 1
294 . 1 1 25 25 PHE CZ C 13 127.40 0.30 . 1 . . . . . . . . 5631 1
295 . 1 1 25 25 PHE N N 15 116.77 0.40 . 1 . . . . . . . . 5631 1
296 . 1 1 26 26 SER H H 1 9.05 0.03 . 1 . . . . . . . . 5631 1
297 . 1 1 26 26 SER HA H 1 5.29 0.03 . 1 . . . . . . . . 5631 1
298 . 1 1 26 26 SER HB2 H 1 2.90 0.03 . 1 . . . . . . . . 5631 1
299 . 1 1 26 26 SER HB3 H 1 1.13 0.03 . 1 . . . . . . . . 5631 1
300 . 1 1 26 26 SER HG H 1 6.34 0.03 . 1 . . . . . . . . 5631 1
301 . 1 1 26 26 SER C C 13 175.27 0.10 . 1 . . . . . . . . 5631 1
302 . 1 1 26 26 SER CA C 13 53.50 0.30 . 1 . . . . . . . . 5631 1
303 . 1 1 26 26 SER CB C 13 65.10 0.30 . 1 . . . . . . . . 5631 1
304 . 1 1 26 26 SER N N 15 114.44 0.40 . 1 . . . . . . . . 5631 1
305 . 1 1 27 27 ILE H H 1 8.72 0.03 . 1 . . . . . . . . 5631 1
306 . 1 1 27 27 ILE HA H 1 5.82 0.03 . 1 . . . . . . . . 5631 1
307 . 1 1 27 27 ILE HB H 1 1.77 0.03 . 1 . . . . . . . . 5631 1
308 . 1 1 27 27 ILE HG12 H 1 1.44 0.03 . 2 . . . . . . . . 5631 1
309 . 1 1 27 27 ILE HG13 H 1 0.88 0.03 . 2 . . . . . . . . 5631 1
310 . 1 1 27 27 ILE HG21 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1
311 . 1 1 27 27 ILE HG22 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1
312 . 1 1 27 27 ILE HG23 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1
313 . 1 1 27 27 ILE HD11 H 1 0.44 0.03 . 1 . . . . . . . . 5631 1
314 . 1 1 27 27 ILE HD12 H 1 0.44 0.03 . 1 . . . . . . . . 5631 1
315 . 1 1 27 27 ILE HD13 H 1 0.44 0.03 . 1 . . . . . . . . 5631 1
316 . 1 1 27 27 ILE C C 13 174.84 0.10 . 1 . . . . . . . . 5631 1
317 . 1 1 27 27 ILE CA C 13 57.80 0.30 . 1 . . . . . . . . 5631 1
318 . 1 1 27 27 ILE CB C 13 43.10 0.30 . 1 . . . . . . . . 5631 1
319 . 1 1 27 27 ILE CG1 C 13 24.70 0.30 . 1 . . . . . . . . 5631 1
320 . 1 1 27 27 ILE CG2 C 13 19.70 0.30 . 1 . . . . . . . . 5631 1
321 . 1 1 27 27 ILE CD1 C 13 14.50 0.30 . 1 . . . . . . . . 5631 1
322 . 1 1 27 27 ILE N N 15 111.73 0.40 . 1 . . . . . . . . 5631 1
323 . 1 1 28 28 SER H H 1 8.92 0.03 . 1 . . . . . . . . 5631 1
324 . 1 1 28 28 SER HA H 1 5.19 0.03 . 1 . . . . . . . . 5631 1
325 . 1 1 28 28 SER HB2 H 1 4.18 0.03 . 2 . . . . . . . . 5631 1
326 . 1 1 28 28 SER HB3 H 1 4.07 0.03 . 2 . . . . . . . . 5631 1
327 . 1 1 28 28 SER C C 13 173.28 0.10 . 1 . . . . . . . . 5631 1
328 . 1 1 28 28 SER CA C 13 57.20 0.30 . 1 . . . . . . . . 5631 1
329 . 1 1 28 28 SER CB C 13 67.30 0.30 . 1 . . . . . . . . 5631 1
330 . 1 1 28 28 SER N N 15 114.82 0.40 . 1 . . . . . . . . 5631 1
331 . 1 1 29 29 GLY H H 1 9.23 0.03 . 1 . . . . . . . . 5631 1
332 . 1 1 29 29 GLY HA2 H 1 5.73 0.03 . 2 . . . . . . . . 5631 1
333 . 1 1 29 29 GLY HA3 H 1 3.99 0.03 . 2 . . . . . . . . 5631 1
334 . 1 1 29 29 GLY C C 13 175.82 0.10 . 1 . . . . . . . . 5631 1
335 . 1 1 29 29 GLY CA C 13 44.30 0.30 . 1 . . . . . . . . 5631 1
336 . 1 1 29 29 GLY N N 15 108.41 0.40 . 1 . . . . . . . . 5631 1
337 . 1 1 30 30 GLY H H 1 7.08 0.03 . 1 . . . . . . . . 5631 1
338 . 1 1 30 30 GLY HA2 H 1 4.71 0.03 . 2 . . . . . . . . 5631 1
339 . 1 1 30 30 GLY HA3 H 1 3.86 0.03 . 2 . . . . . . . . 5631 1
340 . 1 1 30 30 GLY C C 13 175.81 0.10 . 1 . . . . . . . . 5631 1
341 . 1 1 30 30 GLY CA C 13 43.90 0.30 . 1 . . . . . . . . 5631 1
342 . 1 1 30 30 GLY N N 15 108.52 0.40 . 1 . . . . . . . . 5631 1
343 . 1 1 31 31 VAL H H 1 8.11 0.03 . 1 . . . . . . . . 5631 1
344 . 1 1 31 31 VAL HA H 1 3.92 0.03 . 1 . . . . . . . . 5631 1
345 . 1 1 31 31 VAL HB H 1 1.66 0.03 . 1 . . . . . . . . 5631 1
346 . 1 1 31 31 VAL HG11 H 1 0.90 0.03 . 1 . . . . . . . . 5631 1
347 . 1 1 31 31 VAL HG12 H 1 0.90 0.03 . 1 . . . . . . . . 5631 1
348 . 1 1 31 31 VAL HG13 H 1 0.90 0.03 . 1 . . . . . . . . 5631 1
349 . 1 1 31 31 VAL HG21 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1
350 . 1 1 31 31 VAL HG22 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1
351 . 1 1 31 31 VAL HG23 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1
352 . 1 1 31 31 VAL C C 13 178.63 0.10 . 1 . . . . . . . . 5631 1
353 . 1 1 31 31 VAL CA C 13 64.00 0.30 . 1 . . . . . . . . 5631 1
354 . 1 1 31 31 VAL CB C 13 31.90 0.30 . 1 . . . . . . . . 5631 1
355 . 1 1 31 31 VAL CG1 C 13 57.30 0.30 . 1 . . . . . . . . 5631 1
356 . 1 1 31 31 VAL CG2 C 13 56.90 0.30 . 1 . . . . . . . . 5631 1
357 . 1 1 31 31 VAL N N 15 123.13 0.40 . 1 . . . . . . . . 5631 1
358 . 1 1 32 32 GLY H H 1 9.55 0.03 . 1 . . . . . . . . 5631 1
359 . 1 1 32 32 GLY HA2 H 1 4.12 0.03 . 2 . . . . . . . . 5631 1
360 . 1 1 32 32 GLY HA3 H 1 3.88 0.03 . 2 . . . . . . . . 5631 1
361 . 1 1 32 32 GLY C C 13 175.15 0.10 . 1 . . . . . . . . 5631 1
362 . 1 1 32 32 GLY CA C 13 45.90 0.30 . 1 . . . . . . . . 5631 1
363 . 1 1 32 32 GLY N N 15 118.01 0.40 . 1 . . . . . . . . 5631 1
364 . 1 1 33 33 GLY H H 1 7.95 0.03 . 1 . . . . . . . . 5631 1
365 . 1 1 33 33 GLY HA2 H 1 4.27 0.03 . 2 . . . . . . . . 5631 1
366 . 1 1 33 33 GLY HA3 H 1 3.64 0.03 . 2 . . . . . . . . 5631 1
367 . 1 1 33 33 GLY C C 13 174.36 0.10 . 1 . . . . . . . . 5631 1
368 . 1 1 33 33 GLY CA C 13 44.40 0.30 . 1 . . . . . . . . 5631 1
369 . 1 1 33 33 GLY N N 15 107.10 0.40 . 1 . . . . . . . . 5631 1
370 . 1 1 34 34 ARG H H 1 8.64 0.03 . 1 . . . . . . . . 5631 1
371 . 1 1 34 34 ARG HA H 1 4.22 0.03 . 1 . . . . . . . . 5631 1
372 . 1 1 34 34 ARG HB2 H 1 1.99 0.03 . 2 . . . . . . . . 5631 1
373 . 1 1 34 34 ARG HB3 H 1 1.63 0.03 . 2 . . . . . . . . 5631 1
374 . 1 1 34 34 ARG HG2 H 1 1.44 0.03 . 1 . . . . . . . . 5631 1
375 . 1 1 34 34 ARG HG3 H 1 1.44 0.03 . 1 . . . . . . . . 5631 1
376 . 1 1 34 34 ARG HD2 H 1 2.88 0.03 . 2 . . . . . . . . 5631 1
377 . 1 1 34 34 ARG HD3 H 1 2.82 0.03 . 2 . . . . . . . . 5631 1
378 . 1 1 34 34 ARG C C 13 176.51 0.10 . 1 . . . . . . . . 5631 1
379 . 1 1 34 34 ARG CA C 13 55.60 0.30 . 1 . . . . . . . . 5631 1
380 . 1 1 34 34 ARG CB C 13 29.80 0.30 . 1 . . . . . . . . 5631 1
381 . 1 1 34 34 ARG CG C 13 27.10 0.30 . 1 . . . . . . . . 5631 1
382 . 1 1 34 34 ARG CD C 13 42.70 0.30 . 1 . . . . . . . . 5631 1
383 . 1 1 34 34 ARG N N 15 116.89 0.40 . 1 . . . . . . . . 5631 1
384 . 1 1 35 35 GLY H H 1 8.23 0.03 . 1 . . . . . . . . 5631 1
385 . 1 1 35 35 GLY HA2 H 1 4.36 0.03 . 2 . . . . . . . . 5631 1
386 . 1 1 35 35 GLY HA3 H 1 3.86 0.03 . 2 . . . . . . . . 5631 1
387 . 1 1 35 35 GLY C C 13 171.87 0.10 . 1 . . . . . . . . 5631 1
388 . 1 1 35 35 GLY CA C 13 44.30 0.30 . 1 . . . . . . . . 5631 1
389 . 1 1 35 35 GLY N N 15 107.28 0.40 . 1 . . . . . . . . 5631 1
390 . 1 1 36 36 ASN H H 1 7.86 0.03 . 1 . . . . . . . . 5631 1
391 . 1 1 36 36 ASN HA H 1 4.96 0.03 . 1 . . . . . . . . 5631 1
392 . 1 1 36 36 ASN HB2 H 1 2.48 0.03 . 2 . . . . . . . . 5631 1
393 . 1 1 36 36 ASN HB3 H 1 2.40 0.03 . 2 . . . . . . . . 5631 1
394 . 1 1 36 36 ASN HD21 H 1 6.77 0.03 . 1 . . . . . . . . 5631 1
395 . 1 1 36 36 ASN HD22 H 1 8.03 0.03 . 1 . . . . . . . . 5631 1
396 . 1 1 36 36 ASN CA C 13 51.20 0.30 . 1 . . . . . . . . 5631 1
397 . 1 1 36 36 ASN CB C 13 42.10 0.30 . 1 . . . . . . . . 5631 1
398 . 1 1 36 36 ASN N N 15 114.00 0.40 . 1 . . . . . . . . 5631 1
399 . 1 1 36 36 ASN ND2 N 15 120.29 0.40 . 1 . . . . . . . . 5631 1
400 . 1 1 37 37 PRO HA H 1 4.16 0.03 . 1 . . . . . . . . 5631 1
401 . 1 1 37 37 PRO HB2 H 1 1.74 0.03 . 2 . . . . . . . . 5631 1
402 . 1 1 37 37 PRO HB3 H 1 1.08 0.03 . 2 . . . . . . . . 5631 1
403 . 1 1 37 37 PRO HG2 H 1 1.48 0.03 . 2 . . . . . . . . 5631 1
404 . 1 1 37 37 PRO HG3 H 1 0.49 0.03 . 2 . . . . . . . . 5631 1
405 . 1 1 37 37 PRO HD2 H 1 3.39 0.03 . 2 . . . . . . . . 5631 1
406 . 1 1 37 37 PRO HD3 H 1 3.14 0.03 . 2 . . . . . . . . 5631 1
407 . 1 1 37 37 PRO C C 13 175.50 0.10 . 1 . . . . . . . . 5631 1
408 . 1 1 37 37 PRO CA C 13 63.30 0.30 . 1 . . . . . . . . 5631 1
409 . 1 1 37 37 PRO CB C 13 31.40 0.30 . 1 . . . . . . . . 5631 1
410 . 1 1 37 37 PRO CG C 13 25.80 0.30 . 1 . . . . . . . . 5631 1
411 . 1 1 37 37 PRO CD C 13 13.60 0.30 . 1 . . . . . . . . 5631 1
412 . 1 1 38 38 PHE H H 1 8.10 0.03 . 1 . . . . . . . . 5631 1
413 . 1 1 38 38 PHE HA H 1 4.34 0.03 . 1 . . . . . . . . 5631 1
414 . 1 1 38 38 PHE HB2 H 1 2.28 0.03 . 1 . . . . . . . . 5631 1
415 . 1 1 38 38 PHE HB3 H 1 3.24 0.03 . 1 . . . . . . . . 5631 1
416 . 1 1 38 38 PHE HD1 H 1 6.99 0.03 . 1 . . . . . . . . 5631 1
417 . 1 1 38 38 PHE HD2 H 1 6.99 0.03 . 1 . . . . . . . . 5631 1
418 . 1 1 38 38 PHE HE1 H 1 7.37 0.03 . 1 . . . . . . . . 5631 1
419 . 1 1 38 38 PHE HE2 H 1 7.37 0.03 . 1 . . . . . . . . 5631 1
420 . 1 1 38 38 PHE HZ H 1 7.55 0.03 . 1 . . . . . . . . 5631 1
421 . 1 1 38 38 PHE C C 13 176.54 0.10 . 1 . . . . . . . . 5631 1
422 . 1 1 38 38 PHE CA C 13 58.90 0.30 . 1 . . . . . . . . 5631 1
423 . 1 1 38 38 PHE CB C 13 39.90 0.30 . 1 . . . . . . . . 5631 1
424 . 1 1 38 38 PHE CD1 C 13 131.90 0.30 . 1 . . . . . . . . 5631 1
425 . 1 1 38 38 PHE CD2 C 13 131.90 0.30 . 1 . . . . . . . . 5631 1
426 . 1 1 38 38 PHE CE1 C 13 131.40 0.30 . 1 . . . . . . . . 5631 1
427 . 1 1 38 38 PHE CE2 C 13 131.40 0.30 . 1 . . . . . . . . 5631 1
428 . 1 1 38 38 PHE CZ C 13 130.10 0.30 . 1 . . . . . . . . 5631 1
429 . 1 1 38 38 PHE N N 15 119.87 0.40 . 1 . . . . . . . . 5631 1
430 . 1 1 39 39 ARG H H 1 8.75 0.03 . 1 . . . . . . . . 5631 1
431 . 1 1 39 39 ARG HA H 1 4.74 0.03 . 1 . . . . . . . . 5631 1
432 . 1 1 39 39 ARG HB2 H 1 1.80 0.03 . 2 . . . . . . . . 5631 1
433 . 1 1 39 39 ARG HB3 H 1 1.70 0.03 . 2 . . . . . . . . 5631 1
434 . 1 1 39 39 ARG HG2 H 1 1.67 0.03 . 2 . . . . . . . . 5631 1
435 . 1 1 39 39 ARG HG3 H 1 1.47 0.03 . 2 . . . . . . . . 5631 1
436 . 1 1 39 39 ARG HD2 H 1 3.39 0.03 . 2 . . . . . . . . 5631 1
437 . 1 1 39 39 ARG HD3 H 1 3.27 0.03 . 2 . . . . . . . . 5631 1
438 . 1 1 39 39 ARG HE H 1 7.82 0.03 . 1 . . . . . . . . 5631 1
439 . 1 1 39 39 ARG CA C 13 52.00 0.30 . 1 . . . . . . . . 5631 1
440 . 1 1 39 39 ARG CB C 13 31.60 0.30 . 1 . . . . . . . . 5631 1
441 . 1 1 39 39 ARG CG C 13 26.30 0.30 . 1 . . . . . . . . 5631 1
442 . 1 1 39 39 ARG CD C 13 43.10 0.30 . 1 . . . . . . . . 5631 1
443 . 1 1 39 39 ARG N N 15 119.18 0.40 . 1 . . . . . . . . 5631 1
444 . 1 1 39 39 ARG NE N 15 110.80 0.40 . 1 . . . . . . . . 5631 1
445 . 1 1 40 40 PRO HA H 1 4.32 0.03 . 1 . . . . . . . . 5631 1
446 . 1 1 40 40 PRO HB2 H 1 2.35 0.03 . 2 . . . . . . . . 5631 1
447 . 1 1 40 40 PRO HB3 H 1 1.89 0.03 . 2 . . . . . . . . 5631 1
448 . 1 1 40 40 PRO HG2 H 1 1.89 0.03 . 1 . . . . . . . . 5631 1
449 . 1 1 40 40 PRO HG3 H 1 1.89 0.03 . 1 . . . . . . . . 5631 1
450 . 1 1 40 40 PRO HD2 H 1 3.69 0.03 . 2 . . . . . . . . 5631 1
451 . 1 1 40 40 PRO HD3 H 1 3.36 0.03 . 2 . . . . . . . . 5631 1
452 . 1 1 40 40 PRO C C 13 176.42 0.10 . 1 . . . . . . . . 5631 1
453 . 1 1 40 40 PRO CA C 13 64.50 0.30 . 1 . . . . . . . . 5631 1
454 . 1 1 40 40 PRO CB C 13 32.20 0.30 . 1 . . . . . . . . 5631 1
455 . 1 1 40 40 PRO CG C 13 26.90 0.30 . 1 . . . . . . . . 5631 1
456 . 1 1 40 40 PRO CD C 13 14.50 0.30 . 1 . . . . . . . . 5631 1
457 . 1 1 41 41 ASP H H 1 8.47 0.03 . 1 . . . . . . . . 5631 1
458 . 1 1 41 41 ASP HA H 1 4.55 0.03 . 1 . . . . . . . . 5631 1
459 . 1 1 41 41 ASP HB2 H 1 2.69 0.03 . 1 . . . . . . . . 5631 1
460 . 1 1 41 41 ASP HB3 H 1 2.69 0.03 . 1 . . . . . . . . 5631 1
461 . 1 1 41 41 ASP C C 13 174.29 0.10 . 1 . . . . . . . . 5631 1
462 . 1 1 41 41 ASP CA C 13 53.80 0.30 . 1 . . . . . . . . 5631 1
463 . 1 1 41 41 ASP CB C 13 39.90 0.30 . 1 . . . . . . . . 5631 1
464 . 1 1 41 41 ASP N N 15 114.93 0.40 . 1 . . . . . . . . 5631 1
465 . 1 1 42 42 ASP H H 1 7.73 0.03 . 1 . . . . . . . . 5631 1
466 . 1 1 42 42 ASP HA H 1 4.84 0.03 . 1 . . . . . . . . 5631 1
467 . 1 1 42 42 ASP HB2 H 1 2.41 0.03 . 1 . . . . . . . . 5631 1
468 . 1 1 42 42 ASP HB3 H 1 3.25 0.03 . 1 . . . . . . . . 5631 1
469 . 1 1 42 42 ASP C C 13 176.25 0.10 . 1 . . . . . . . . 5631 1
470 . 1 1 42 42 ASP CA C 13 53.00 0.30 . 1 . . . . . . . . 5631 1
471 . 1 1 42 42 ASP CB C 13 44.50 0.30 . 1 . . . . . . . . 5631 1
472 . 1 1 42 42 ASP N N 15 121.98 0.40 . 1 . . . . . . . . 5631 1
473 . 1 1 43 43 ASP H H 1 8.48 0.03 . 1 . . . . . . . . 5631 1
474 . 1 1 43 43 ASP HA H 1 4.74 0.03 . 1 . . . . . . . . 5631 1
475 . 1 1 43 43 ASP HB2 H 1 2.95 0.03 . 1 . . . . . . . . 5631 1
476 . 1 1 43 43 ASP HB3 H 1 2.72 0.03 . 1 . . . . . . . . 5631 1
477 . 1 1 43 43 ASP C C 13 176.89 0.10 . 1 . . . . . . . . 5631 1
478 . 1 1 43 43 ASP CA C 13 54.50 0.30 . 1 . . . . . . . . 5631 1
479 . 1 1 43 43 ASP CB C 13 40.30 0.30 . 1 . . . . . . . . 5631 1
480 . 1 1 43 43 ASP N N 15 126.88 0.40 . 1 . . . . . . . . 5631 1
481 . 1 1 44 44 GLY H H 1 9.47 0.03 . 1 . . . . . . . . 5631 1
482 . 1 1 44 44 GLY HA2 H 1 4.46 0.03 . 2 . . . . . . . . 5631 1
483 . 1 1 44 44 GLY HA3 H 1 3.50 0.03 . 2 . . . . . . . . 5631 1
484 . 1 1 44 44 GLY C C 13 172.30 0.10 . 1 . . . . . . . . 5631 1
485 . 1 1 44 44 GLY CA C 13 44.80 0.30 . 1 . . . . . . . . 5631 1
486 . 1 1 44 44 GLY N N 15 107.28 0.40 . 1 . . . . . . . . 5631 1
487 . 1 1 45 45 ILE H H 1 9.09 0.03 . 1 . . . . . . . . 5631 1
488 . 1 1 45 45 ILE HA H 1 4.87 0.03 . 1 . . . . . . . . 5631 1
489 . 1 1 45 45 ILE HB H 1 2.39 0.03 . 1 . . . . . . . . 5631 1
490 . 1 1 45 45 ILE HG12 H 1 1.89 0.03 . 2 . . . . . . . . 5631 1
491 . 1 1 45 45 ILE HG13 H 1 1.16 0.03 . 2 . . . . . . . . 5631 1
492 . 1 1 45 45 ILE HG21 H 1 0.91 0.03 . 1 . . . . . . . . 5631 1
493 . 1 1 45 45 ILE HG22 H 1 0.91 0.03 . 1 . . . . . . . . 5631 1
494 . 1 1 45 45 ILE HG23 H 1 0.91 0.03 . 1 . . . . . . . . 5631 1
495 . 1 1 45 45 ILE HD11 H 1 0.44 0.03 . 1 . . . . . . . . 5631 1
496 . 1 1 45 45 ILE HD12 H 1 0.44 0.03 . 1 . . . . . . . . 5631 1
497 . 1 1 45 45 ILE HD13 H 1 0.44 0.03 . 1 . . . . . . . . 5631 1
498 . 1 1 45 45 ILE C C 13 174.74 0.10 . 1 . . . . . . . . 5631 1
499 . 1 1 45 45 ILE CA C 13 57.20 0.30 . 1 . . . . . . . . 5631 1
500 . 1 1 45 45 ILE CB C 13 35.90 0.30 . 1 . . . . . . . . 5631 1
501 . 1 1 45 45 ILE CG1 C 13 25.80 0.30 . 1 . . . . . . . . 5631 1
502 . 1 1 45 45 ILE CG2 C 13 18.60 0.30 . 1 . . . . . . . . 5631 1
503 . 1 1 45 45 ILE CD1 C 13 44.30 0.30 . 1 . . . . . . . . 5631 1
504 . 1 1 45 45 ILE N N 15 119.85 0.40 . 1 . . . . . . . . 5631 1
505 . 1 1 46 46 PHE H H 1 9.18 0.03 . 1 . . . . . . . . 5631 1
506 . 1 1 46 46 PHE HA H 1 5.23 0.03 . 1 . . . . . . . . 5631 1
507 . 1 1 46 46 PHE HB2 H 1 2.80 0.03 . 2 . . . . . . . . 5631 1
508 . 1 1 46 46 PHE HB3 H 1 2.69 0.03 . 2 . . . . . . . . 5631 1
509 . 1 1 46 46 PHE HD1 H 1 6.98 0.03 . 1 . . . . . . . . 5631 1
510 . 1 1 46 46 PHE HD2 H 1 6.98 0.03 . 1 . . . . . . . . 5631 1
511 . 1 1 46 46 PHE HE1 H 1 7.12 0.03 . 1 . . . . . . . . 5631 1
512 . 1 1 46 46 PHE HE2 H 1 7.12 0.03 . 1 . . . . . . . . 5631 1
513 . 1 1 46 46 PHE HZ H 1 7.14 0.03 . 1 . . . . . . . . 5631 1
514 . 1 1 46 46 PHE C C 13 177.68 0.10 . 1 . . . . . . . . 5631 1
515 . 1 1 46 46 PHE CA C 13 56.40 0.30 . 1 . . . . . . . . 5631 1
516 . 1 1 46 46 PHE CB C 13 42.50 0.30 . 1 . . . . . . . . 5631 1
517 . 1 1 46 46 PHE CD1 C 13 131.90 0.30 . 1 . . . . . . . . 5631 1
518 . 1 1 46 46 PHE CD2 C 13 131.90 0.30 . 1 . . . . . . . . 5631 1
519 . 1 1 46 46 PHE CE1 C 13 130.00 0.30 . 1 . . . . . . . . 5631 1
520 . 1 1 46 46 PHE CE2 C 13 130.00 0.30 . 1 . . . . . . . . 5631 1
521 . 1 1 46 46 PHE CZ C 13 130.00 0.30 . 1 . . . . . . . . 5631 1
522 . 1 1 46 46 PHE N N 15 124.13 0.40 . 1 . . . . . . . . 5631 1
523 . 1 1 47 47 VAL H H 1 9.51 0.03 . 1 . . . . . . . . 5631 1
524 . 1 1 47 47 VAL HA H 1 4.22 0.03 . 1 . . . . . . . . 5631 1
525 . 1 1 47 47 VAL HB H 1 2.07 0.03 . 1 . . . . . . . . 5631 1
526 . 1 1 47 47 VAL HG11 H 1 0.43 0.03 . 1 . . . . . . . . 5631 1
527 . 1 1 47 47 VAL HG12 H 1 0.43 0.03 . 1 . . . . . . . . 5631 1
528 . 1 1 47 47 VAL HG13 H 1 0.43 0.03 . 1 . . . . . . . . 5631 1
529 . 1 1 47 47 VAL HG21 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1
530 . 1 1 47 47 VAL HG22 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1
531 . 1 1 47 47 VAL HG23 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1
532 . 1 1 47 47 VAL C C 13 176.04 0.10 . 1 . . . . . . . . 5631 1
533 . 1 1 47 47 VAL CA C 13 63.40 0.30 . 1 . . . . . . . . 5631 1
534 . 1 1 47 47 VAL CB C 13 31.30 0.30 . 1 . . . . . . . . 5631 1
535 . 1 1 47 47 VAL CG1 C 13 57.50 0.30 . 1 . . . . . . . . 5631 1
536 . 1 1 47 47 VAL CG2 C 13 57.20 0.30 . 1 . . . . . . . . 5631 1
537 . 1 1 47 47 VAL N N 15 126.31 0.40 . 1 . . . . . . . . 5631 1
538 . 1 1 48 48 THR H H 1 9.28 0.03 . 1 . . . . . . . . 5631 1
539 . 1 1 48 48 THR HA H 1 4.83 0.03 . 1 . . . . . . . . 5631 1
540 . 1 1 48 48 THR HB H 1 4.07 0.03 . 1 . . . . . . . . 5631 1
541 . 1 1 48 48 THR HG21 H 1 1.13 0.03 . 1 . . . . . . . . 5631 1
542 . 1 1 48 48 THR HG22 H 1 1.13 0.03 . 1 . . . . . . . . 5631 1
543 . 1 1 48 48 THR HG23 H 1 1.13 0.03 . 1 . . . . . . . . 5631 1
544 . 1 1 48 48 THR C C 13 172.19 0.10 . 1 . . . . . . . . 5631 1
545 . 1 1 48 48 THR CA C 13 65.60 0.30 . 1 . . . . . . . . 5631 1
546 . 1 1 48 48 THR CB C 13 68.70 0.30 . 1 . . . . . . . . 5631 1
547 . 1 1 48 48 THR CG2 C 13 20.70 0.30 . 1 . . . . . . . . 5631 1
548 . 1 1 48 48 THR N N 15 127.60 0.40 . 1 . . . . . . . . 5631 1
549 . 1 1 49 49 ARG H H 1 7.60 0.03 . 1 . . . . . . . . 5631 1
550 . 1 1 49 49 ARG HA H 1 4.71 0.03 . 1 . . . . . . . . 5631 1
551 . 1 1 49 49 ARG HB2 H 1 1.81 0.03 . 2 . . . . . . . . 5631 1
552 . 1 1 49 49 ARG HB3 H 1 1.74 0.03 . 2 . . . . . . . . 5631 1
553 . 1 1 49 49 ARG HG2 H 1 1.80 0.03 . 2 . . . . . . . . 5631 1
554 . 1 1 49 49 ARG HG3 H 1 1.60 0.03 . 2 . . . . . . . . 5631 1
555 . 1 1 49 49 ARG HD2 H 1 3.46 0.03 . 2 . . . . . . . . 5631 1
556 . 1 1 49 49 ARG HD3 H 1 3.33 0.03 . 2 . . . . . . . . 5631 1
557 . 1 1 49 49 ARG HE H 1 8.97 0.03 . 1 . . . . . . . . 5631 1
558 . 1 1 49 49 ARG C C 13 176.10 0.10 . 1 . . . . . . . . 5631 1
559 . 1 1 49 49 ARG CA C 13 55.00 0.30 . 1 . . . . . . . . 5631 1
560 . 1 1 49 49 ARG CB C 13 35.90 0.30 . 1 . . . . . . . . 5631 1
561 . 1 1 49 49 ARG CG C 13 28.40 0.30 . 1 . . . . . . . . 5631 1
562 . 1 1 49 49 ARG CD C 13 44.20 0.30 . 1 . . . . . . . . 5631 1
563 . 1 1 49 49 ARG N N 15 119.53 0.40 . 1 . . . . . . . . 5631 1
564 . 1 1 49 49 ARG NE N 15 113.74 0.40 . 1 . . . . . . . . 5631 1
565 . 1 1 50 50 VAL H H 1 8.64 0.03 . 1 . . . . . . . . 5631 1
566 . 1 1 50 50 VAL HA H 1 4.41 0.03 . 1 . . . . . . . . 5631 1
567 . 1 1 50 50 VAL HB H 1 1.86 0.03 . 1 . . . . . . . . 5631 1
568 . 1 1 50 50 VAL HG11 H 1 0.87 0.03 . 1 . . . . . . . . 5631 1
569 . 1 1 50 50 VAL HG12 H 1 0.87 0.03 . 1 . . . . . . . . 5631 1
570 . 1 1 50 50 VAL HG13 H 1 0.87 0.03 . 1 . . . . . . . . 5631 1
571 . 1 1 50 50 VAL HG21 H 1 0.48 0.03 . 1 . . . . . . . . 5631 1
572 . 1 1 50 50 VAL HG22 H 1 0.48 0.03 . 1 . . . . . . . . 5631 1
573 . 1 1 50 50 VAL HG23 H 1 0.48 0.03 . 1 . . . . . . . . 5631 1
574 . 1 1 50 50 VAL C C 13 176.37 0.10 . 1 . . . . . . . . 5631 1
575 . 1 1 50 50 VAL CA C 13 61.20 0.30 . 1 . . . . . . . . 5631 1
576 . 1 1 50 50 VAL CB C 13 35.10 0.30 . 1 . . . . . . . . 5631 1
577 . 1 1 50 50 VAL CG1 C 13 57.80 0.30 . 1 . . . . . . . . 5631 1
578 . 1 1 50 50 VAL CG2 C 13 56.70 0.30 . 1 . . . . . . . . 5631 1
579 . 1 1 50 50 VAL N N 15 118.77 0.40 . 1 . . . . . . . . 5631 1
580 . 1 1 51 51 GLN H H 1 8.63 0.03 . 1 . . . . . . . . 5631 1
581 . 1 1 51 51 GLN HA H 1 4.73 0.03 . 1 . . . . . . . . 5631 1
582 . 1 1 51 51 GLN HB2 H 1 2.31 0.03 . 2 . . . . . . . . 5631 1
583 . 1 1 51 51 GLN HB3 H 1 2.18 0.03 . 2 . . . . . . . . 5631 1
584 . 1 1 51 51 GLN HG2 H 1 2.39 0.03 . 1 . . . . . . . . 5631 1
585 . 1 1 51 51 GLN HG3 H 1 2.39 0.03 . 1 . . . . . . . . 5631 1
586 . 1 1 51 51 GLN HE21 H 1 6.81 0.03 . 1 . . . . . . . . 5631 1
587 . 1 1 51 51 GLN HE22 H 1 7.29 0.03 . 1 . . . . . . . . 5631 1
588 . 1 1 51 51 GLN CA C 13 54.40 0.30 . 1 . . . . . . . . 5631 1
589 . 1 1 51 51 GLN CB C 13 29.10 0.30 . 1 . . . . . . . . 5631 1
590 . 1 1 51 51 GLN CG C 13 32.60 0.30 . 1 . . . . . . . . 5631 1
591 . 1 1 51 51 GLN N N 15 129.09 0.40 . 1 . . . . . . . . 5631 1
592 . 1 1 51 51 GLN NE2 N 15 110.86 0.40 . 1 . . . . . . . . 5631 1
593 . 1 1 52 52 PRO HA H 1 4.46 0.03 . 1 . . . . . . . . 5631 1
594 . 1 1 52 52 PRO HB2 H 1 2.43 0.03 . 2 . . . . . . . . 5631 1
595 . 1 1 52 52 PRO HB3 H 1 2.06 0.03 . 2 . . . . . . . . 5631 1
596 . 1 1 52 52 PRO HG2 H 1 2.18 0.03 . 2 . . . . . . . . 5631 1
597 . 1 1 52 52 PRO HG3 H 1 2.15 0.03 . 2 . . . . . . . . 5631 1
598 . 1 1 52 52 PRO HD2 H 1 4.23 0.03 . 2 . . . . . . . . 5631 1
599 . 1 1 52 52 PRO HD3 H 1 3.87 0.03 . 2 . . . . . . . . 5631 1
600 . 1 1 52 52 PRO C C 13 177.16 0.10 . 1 . . . . . . . . 5631 1
601 . 1 1 52 52 PRO CA C 13 64.60 0.30 . 1 . . . . . . . . 5631 1
602 . 1 1 52 52 PRO CB C 13 31.90 0.30 . 1 . . . . . . . . 5631 1
603 . 1 1 52 52 PRO CG C 13 27.50 0.30 . 1 . . . . . . . . 5631 1
604 . 1 1 52 52 PRO CD C 13 15.70 0.30 . 1 . . . . . . . . 5631 1
605 . 1 1 53 53 GLU H H 1 8.71 0.03 . 1 . . . . . . . . 5631 1
606 . 1 1 53 53 GLU HA H 1 4.37 0.03 . 1 . . . . . . . . 5631 1
607 . 1 1 53 53 GLU HB3 H 1 2.08 0.03 . 2 . . . . . . . . 5631 1
608 . 1 1 53 53 GLU HG2 H 1 2.23 0.03 . 1 . . . . . . . . 5631 1
609 . 1 1 53 53 GLU HG3 H 1 2.23 0.03 . 1 . . . . . . . . 5631 1
610 . 1 1 53 53 GLU C C 13 176.38 0.10 . 1 . . . . . . . . 5631 1
611 . 1 1 53 53 GLU CA C 13 56.60 0.30 . 1 . . . . . . . . 5631 1
612 . 1 1 53 53 GLU CB C 13 28.50 0.30 . 1 . . . . . . . . 5631 1
613 . 1 1 53 53 GLU CG C 13 36.40 0.30 . 1 . . . . . . . . 5631 1
614 . 1 1 53 53 GLU N N 15 115.68 0.40 . 1 . . . . . . . . 5631 1
615 . 1 1 54 54 GLY H H 1 7.70 0.03 . 1 . . . . . . . . 5631 1
616 . 1 1 54 54 GLY HA2 H 1 4.61 0.03 . 2 . . . . . . . . 5631 1
617 . 1 1 54 54 GLY HA3 H 1 4.06 0.03 . 2 . . . . . . . . 5631 1
618 . 1 1 54 54 GLY CA C 13 45.40 0.30 . 1 . . . . . . . . 5631 1
619 . 1 1 54 54 GLY N N 15 106.55 0.40 . 1 . . . . . . . . 5631 1
620 . 1 1 55 55 PRO HA H 1 4.40 0.03 . 1 . . . . . . . . 5631 1
621 . 1 1 55 55 PRO HB2 H 1 2.64 0.03 . 2 . . . . . . . . 5631 1
622 . 1 1 55 55 PRO HB3 H 1 2.27 0.03 . 2 . . . . . . . . 5631 1
623 . 1 1 55 55 PRO HG2 H 1 2.45 0.03 . 2 . . . . . . . . 5631 1
624 . 1 1 55 55 PRO HG3 H 1 2.11 0.03 . 2 . . . . . . . . 5631 1
625 . 1 1 55 55 PRO HD2 H 1 3.83 0.03 . 2 . . . . . . . . 5631 1
626 . 1 1 55 55 PRO HD3 H 1 3.46 0.03 . 2 . . . . . . . . 5631 1
627 . 1 1 55 55 PRO C C 13 178.15 0.10 . 1 . . . . . . . . 5631 1
628 . 1 1 55 55 PRO CA C 13 65.10 0.30 . 1 . . . . . . . . 5631 1
629 . 1 1 55 55 PRO CB C 13 32.90 0.30 . 1 . . . . . . . . 5631 1
630 . 1 1 55 55 PRO CG C 13 27.60 0.30 . 1 . . . . . . . . 5631 1
631 . 1 1 55 55 PRO CD C 13 14.00 0.30 . 1 . . . . . . . . 5631 1
632 . 1 1 56 56 ALA H H 1 8.40 0.03 . 1 . . . . . . . . 5631 1
633 . 1 1 56 56 ALA HA H 1 4.62 0.03 . 1 . . . . . . . . 5631 1
634 . 1 1 56 56 ALA HB1 H 1 1.59 0.03 . 1 . . . . . . . . 5631 1
635 . 1 1 56 56 ALA HB2 H 1 1.59 0.03 . 1 . . . . . . . . 5631 1
636 . 1 1 56 56 ALA HB3 H 1 1.59 0.03 . 1 . . . . . . . . 5631 1
637 . 1 1 56 56 ALA C C 13 178.01 0.10 . 1 . . . . . . . . 5631 1
638 . 1 1 56 56 ALA CA C 13 51.50 0.30 . 1 . . . . . . . . 5631 1
639 . 1 1 56 56 ALA CB C 13 20.20 0.30 . 1 . . . . . . . . 5631 1
640 . 1 1 56 56 ALA N N 15 119.56 0.40 . 1 . . . . . . . . 5631 1
641 . 1 1 57 57 SER H H 1 7.72 0.03 . 1 . . . . . . . . 5631 1
642 . 1 1 57 57 SER HA H 1 3.95 0.03 . 1 . . . . . . . . 5631 1
643 . 1 1 57 57 SER HB2 H 1 4.07 0.03 . 1 . . . . . . . . 5631 1
644 . 1 1 57 57 SER HB3 H 1 4.16 0.03 . 1 . . . . . . . . 5631 1
645 . 1 1 57 57 SER C C 13 174.03 0.10 . 1 . . . . . . . . 5631 1
646 . 1 1 57 57 SER CA C 13 61.40 0.30 . 1 . . . . . . . . 5631 1
647 . 1 1 57 57 SER CB C 13 63.50 0.30 . 1 . . . . . . . . 5631 1
648 . 1 1 57 57 SER N N 15 115.98 0.40 . 1 . . . . . . . . 5631 1
649 . 1 1 58 58 LYS H H 1 8.64 0.03 . 1 . . . . . . . . 5631 1
650 . 1 1 58 58 LYS HA H 1 4.38 0.03 . 1 . . . . . . . . 5631 1
651 . 1 1 58 58 LYS HB2 H 1 2.04 0.03 . 2 . . . . . . . . 5631 1
652 . 1 1 58 58 LYS HB3 H 1 1.82 0.03 . 2 . . . . . . . . 5631 1
653 . 1 1 58 58 LYS HG2 H 1 1.50 0.03 . 2 . . . . . . . . 5631 1
654 . 1 1 58 58 LYS HG3 H 1 1.43 0.03 . 2 . . . . . . . . 5631 1
655 . 1 1 58 58 LYS HD2 H 1 1.70 0.03 . 2 . . . . . . . . 5631 1
656 . 1 1 58 58 LYS HD3 H 1 1.67 0.03 . 2 . . . . . . . . 5631 1
657 . 1 1 58 58 LYS HE2 H 1 3.00 0.03 . 1 . . . . . . . . 5631 1
658 . 1 1 58 58 LYS HE3 H 1 3.00 0.03 . 1 . . . . . . . . 5631 1
659 . 1 1 58 58 LYS C C 13 176.39 0.10 . 1 . . . . . . . . 5631 1
660 . 1 1 58 58 LYS CA C 13 56.70 0.30 . 1 . . . . . . . . 5631 1
661 . 1 1 58 58 LYS CB C 13 31.90 0.30 . 1 . . . . . . . . 5631 1
662 . 1 1 58 58 LYS CG C 13 25.10 0.30 . 1 . . . . . . . . 5631 1
663 . 1 1 58 58 LYS CD C 13 28.60 0.30 . 1 . . . . . . . . 5631 1
664 . 1 1 58 58 LYS CE C 13 41.90 0.30 . 1 . . . . . . . . 5631 1
665 . 1 1 58 58 LYS N N 15 118.79 0.40 . 1 . . . . . . . . 5631 1
666 . 1 1 59 59 LEU H H 1 7.61 0.03 . 1 . . . . . . . . 5631 1
667 . 1 1 59 59 LEU HA H 1 4.47 0.03 . 1 . . . . . . . . 5631 1
668 . 1 1 59 59 LEU HB2 H 1 1.44 0.03 . 1 . . . . . . . . 5631 1
669 . 1 1 59 59 LEU HB3 H 1 1.32 0.03 . 1 . . . . . . . . 5631 1
670 . 1 1 59 59 LEU HG H 1 1.57 0.03 . 1 . . . . . . . . 5631 1
671 . 1 1 59 59 LEU HD11 H 1 1.07 0.03 . 1 . . . . . . . . 5631 1
672 . 1 1 59 59 LEU HD12 H 1 1.07 0.03 . 1 . . . . . . . . 5631 1
673 . 1 1 59 59 LEU HD13 H 1 1.07 0.03 . 1 . . . . . . . . 5631 1
674 . 1 1 59 59 LEU HD21 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1
675 . 1 1 59 59 LEU HD22 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1
676 . 1 1 59 59 LEU HD23 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1
677 . 1 1 59 59 LEU C C 13 175.97 0.10 . 1 . . . . . . . . 5631 1
678 . 1 1 59 59 LEU CA C 13 55.60 0.30 . 1 . . . . . . . . 5631 1
679 . 1 1 59 59 LEU CB C 13 46.00 0.30 . 1 . . . . . . . . 5631 1
680 . 1 1 59 59 LEU CG C 13 26.70 0.30 . 1 . . . . . . . . 5631 1
681 . 1 1 59 59 LEU CD1 C 13 62.50 0.30 . 1 . . . . . . . . 5631 1
682 . 1 1 59 59 LEU CD2 C 13 58.40 0.30 . 1 . . . . . . . . 5631 1
683 . 1 1 59 59 LEU N N 15 118.38 0.40 . 1 . . . . . . . . 5631 1
684 . 1 1 60 60 LEU H H 1 7.66 0.03 . 1 . . . . . . . . 5631 1
685 . 1 1 60 60 LEU HA H 1 4.46 0.03 . 1 . . . . . . . . 5631 1
686 . 1 1 60 60 LEU HB2 H 1 1.28 0.03 . 1 . . . . . . . . 5631 1
687 . 1 1 60 60 LEU HB3 H 1 1.03 0.03 . 1 . . . . . . . . 5631 1
688 . 1 1 60 60 LEU HG H 1 1.21 0.03 . 1 . . . . . . . . 5631 1
689 . 1 1 60 60 LEU HD11 H 1 -0.03 0.03 . 1 . . . . . . . . 5631 1
690 . 1 1 60 60 LEU HD12 H 1 -0.03 0.03 . 1 . . . . . . . . 5631 1
691 . 1 1 60 60 LEU HD13 H 1 -0.03 0.03 . 1 . . . . . . . . 5631 1
692 . 1 1 60 60 LEU HD21 H 1 0.58 0.03 . 1 . . . . . . . . 5631 1
693 . 1 1 60 60 LEU HD22 H 1 0.58 0.03 . 1 . . . . . . . . 5631 1
694 . 1 1 60 60 LEU HD23 H 1 0.58 0.03 . 1 . . . . . . . . 5631 1
695 . 1 1 60 60 LEU C C 13 174.60 0.10 . 1 . . . . . . . . 5631 1
696 . 1 1 60 60 LEU CA C 13 52.30 0.30 . 1 . . . . . . . . 5631 1
697 . 1 1 60 60 LEU CB C 13 45.60 0.30 . 1 . . . . . . . . 5631 1
698 . 1 1 60 60 LEU CG C 13 26.80 0.30 . 1 . . . . . . . . 5631 1
699 . 1 1 60 60 LEU CD1 C 13 62.30 0.30 . 1 . . . . . . . . 5631 1
700 . 1 1 60 60 LEU CD2 C 13 60.10 0.30 . 1 . . . . . . . . 5631 1
701 . 1 1 60 60 LEU N N 15 116.50 0.40 . 1 . . . . . . . . 5631 1
702 . 1 1 61 61 GLN H H 1 8.80 0.03 . 1 . . . . . . . . 5631 1
703 . 1 1 61 61 GLN HA H 1 4.67 0.03 . 1 . . . . . . . . 5631 1
704 . 1 1 61 61 GLN HB2 H 1 1.90 0.03 . 2 . . . . . . . . 5631 1
705 . 1 1 61 61 GLN HB3 H 1 1.68 0.03 . 2 . . . . . . . . 5631 1
706 . 1 1 61 61 GLN HG2 H 1 2.24 0.03 . 2 . . . . . . . . 5631 1
707 . 1 1 61 61 GLN HG3 H 1 2.04 0.03 . 2 . . . . . . . . 5631 1
708 . 1 1 61 61 GLN HE21 H 1 6.74 0.03 . 1 . . . . . . . . 5631 1
709 . 1 1 61 61 GLN HE22 H 1 7.36 0.03 . 1 . . . . . . . . 5631 1
710 . 1 1 61 61 GLN CA C 13 52.20 0.30 . 1 . . . . . . . . 5631 1
711 . 1 1 61 61 GLN CB C 13 30.30 0.30 . 1 . . . . . . . . 5631 1
712 . 1 1 61 61 GLN CG C 13 32.60 0.30 . 1 . . . . . . . . 5631 1
713 . 1 1 61 61 GLN N N 15 118.84 0.40 . 1 . . . . . . . . 5631 1
714 . 1 1 61 61 GLN NE2 N 15 110.86 0.40 . 1 . . . . . . . . 5631 1
715 . 1 1 62 62 PRO HA H 1 3.74 0.03 . 1 . . . . . . . . 5631 1
716 . 1 1 62 62 PRO HB2 H 1 2.64 0.03 . 2 . . . . . . . . 5631 1
717 . 1 1 62 62 PRO HB3 H 1 1.84 0.03 . 2 . . . . . . . . 5631 1
718 . 1 1 62 62 PRO HG2 H 1 2.27 0.03 . 2 . . . . . . . . 5631 1
719 . 1 1 62 62 PRO HG3 H 1 1.88 0.03 . 2 . . . . . . . . 5631 1
720 . 1 1 62 62 PRO HD2 H 1 3.63 0.03 . 2 . . . . . . . . 5631 1
721 . 1 1 62 62 PRO HD3 H 1 3.55 0.03 . 2 . . . . . . . . 5631 1
722 . 1 1 62 62 PRO C C 13 177.37 0.10 . 1 . . . . . . . . 5631 1
723 . 1 1 62 62 PRO CA C 13 63.40 0.30 . 1 . . . . . . . . 5631 1
724 . 1 1 62 62 PRO CB C 13 31.40 0.30 . 1 . . . . . . . . 5631 1
725 . 1 1 62 62 PRO CG C 13 28.50 0.30 . 1 . . . . . . . . 5631 1
726 . 1 1 62 62 PRO CD C 13 14.80 0.30 . 1 . . . . . . . . 5631 1
727 . 1 1 63 63 GLY H H 1 8.66 0.03 . 1 . . . . . . . . 5631 1
728 . 1 1 63 63 GLY HA2 H 1 3.70 0.03 . 2 . . . . . . . . 5631 1
729 . 1 1 63 63 GLY HA3 H 1 1.93 0.03 . 2 . . . . . . . . 5631 1
730 . 1 1 63 63 GLY C C 13 173.94 0.10 . 1 . . . . . . . . 5631 1
731 . 1 1 63 63 GLY CA C 13 43.70 0.30 . 1 . . . . . . . . 5631 1
732 . 1 1 63 63 GLY N N 15 116.95 0.40 . 1 . . . . . . . . 5631 1
733 . 1 1 64 64 ASP H H 1 7.59 0.03 . 1 . . . . . . . . 5631 1
734 . 1 1 64 64 ASP HA H 1 4.42 0.03 . 1 . . . . . . . . 5631 1
735 . 1 1 64 64 ASP HB2 H 1 2.43 0.03 . 2 . . . . . . . . 5631 1
736 . 1 1 64 64 ASP HB3 H 1 2.07 0.03 . 2 . . . . . . . . 5631 1
737 . 1 1 64 64 ASP C C 13 174.24 0.10 . 1 . . . . . . . . 5631 1
738 . 1 1 64 64 ASP CA C 13 55.50 0.30 . 1 . . . . . . . . 5631 1
739 . 1 1 64 64 ASP CB C 13 41.40 0.30 . 1 . . . . . . . . 5631 1
740 . 1 1 64 64 ASP N N 15 123.20 0.40 . 1 . . . . . . . . 5631 1
741 . 1 1 65 65 LYS H H 1 8.32 0.03 . 1 . . . . . . . . 5631 1
742 . 1 1 65 65 LYS HA H 1 4.38 0.03 . 1 . . . . . . . . 5631 1
743 . 1 1 65 65 LYS HB2 H 1 1.54 0.03 . 2 . . . . . . . . 5631 1
744 . 1 1 65 65 LYS HB3 H 1 1.24 0.03 . 2 . . . . . . . . 5631 1
745 . 1 1 65 65 LYS HG2 H 1 0.56 0.03 . 2 . . . . . . . . 5631 1
746 . 1 1 65 65 LYS HG3 H 1 0.25 0.03 . 2 . . . . . . . . 5631 1
747 . 1 1 65 65 LYS HD2 H 1 1.41 0.03 . 2 . . . . . . . . 5631 1
748 . 1 1 65 65 LYS HD3 H 1 1.31 0.03 . 2 . . . . . . . . 5631 1
749 . 1 1 65 65 LYS HE2 H 1 2.72 0.03 . 2 . . . . . . . . 5631 1
750 . 1 1 65 65 LYS HE3 H 1 2.65 0.03 . 2 . . . . . . . . 5631 1
751 . 1 1 65 65 LYS C C 13 176.57 0.10 . 1 . . . . . . . . 5631 1
752 . 1 1 65 65 LYS CA C 13 54.40 0.30 . 1 . . . . . . . . 5631 1
753 . 1 1 65 65 LYS CB C 13 34.80 0.30 . 1 . . . . . . . . 5631 1
754 . 1 1 65 65 LYS CG C 13 24.80 0.30 . 1 . . . . . . . . 5631 1
755 . 1 1 65 65 LYS CD C 13 29.80 0.30 . 1 . . . . . . . . 5631 1
756 . 1 1 65 65 LYS CE C 13 41.90 0.30 . 1 . . . . . . . . 5631 1
757 . 1 1 65 65 LYS N N 15 125.07 0.40 . 1 . . . . . . . . 5631 1
758 . 1 1 66 66 ILE H H 1 8.63 0.03 . 1 . . . . . . . . 5631 1
759 . 1 1 66 66 ILE HA H 1 4.03 0.03 . 1 . . . . . . . . 5631 1
760 . 1 1 66 66 ILE HB H 1 1.56 0.03 . 1 . . . . . . . . 5631 1
761 . 1 1 66 66 ILE HG12 H 1 0.54 0.03 . 1 . . . . . . . . 5631 1
762 . 1 1 66 66 ILE HG13 H 1 0.54 0.03 . 1 . . . . . . . . 5631 1
763 . 1 1 66 66 ILE HG21 H 1 0.31 0.03 . 1 . . . . . . . . 5631 1
764 . 1 1 66 66 ILE HG22 H 1 0.31 0.03 . 1 . . . . . . . . 5631 1
765 . 1 1 66 66 ILE HG23 H 1 0.31 0.03 . 1 . . . . . . . . 5631 1
766 . 1 1 66 66 ILE HD11 H 1 0.73 0.03 . 1 . . . . . . . . 5631 1
767 . 1 1 66 66 ILE HD12 H 1 0.73 0.03 . 1 . . . . . . . . 5631 1
768 . 1 1 66 66 ILE HD13 H 1 0.73 0.03 . 1 . . . . . . . . 5631 1
769 . 1 1 66 66 ILE C C 13 174.96 0.10 . 1 . . . . . . . . 5631 1
770 . 1 1 66 66 ILE CA C 13 62.20 0.30 . 1 . . . . . . . . 5631 1
771 . 1 1 66 66 ILE CB C 13 38.70 0.30 . 1 . . . . . . . . 5631 1
772 . 1 1 66 66 ILE CG1 C 13 27.00 0.30 . 1 . . . . . . . . 5631 1
773 . 1 1 66 66 ILE CG2 C 13 18.40 0.30 . 1 . . . . . . . . 5631 1
774 . 1 1 66 66 ILE CD1 C 13 13.80 0.30 . 1 . . . . . . . . 5631 1
775 . 1 1 66 66 ILE N N 15 125.94 0.40 . 1 . . . . . . . . 5631 1
776 . 1 1 67 67 ILE H H 1 8.84 0.03 . 1 . . . . . . . . 5631 1
777 . 1 1 67 67 ILE HA H 1 4.46 0.03 . 1 . . . . . . . . 5631 1
778 . 1 1 67 67 ILE HB H 1 1.93 0.03 . 1 . . . . . . . . 5631 1
779 . 1 1 67 67 ILE HG12 H 1 1.15 0.03 . 2 . . . . . . . . 5631 1
780 . 1 1 67 67 ILE HG13 H 1 0.99 0.03 . 2 . . . . . . . . 5631 1
781 . 1 1 67 67 ILE HG21 H 1 0.80 0.03 . 1 . . . . . . . . 5631 1
782 . 1 1 67 67 ILE HG22 H 1 0.80 0.03 . 1 . . . . . . . . 5631 1
783 . 1 1 67 67 ILE HG23 H 1 0.80 0.03 . 1 . . . . . . . . 5631 1
784 . 1 1 67 67 ILE HD11 H 1 0.66 0.03 . 1 . . . . . . . . 5631 1
785 . 1 1 67 67 ILE HD12 H 1 0.66 0.03 . 1 . . . . . . . . 5631 1
786 . 1 1 67 67 ILE HD13 H 1 0.66 0.03 . 1 . . . . . . . . 5631 1
787 . 1 1 67 67 ILE C C 13 177.60 0.10 . 1 . . . . . . . . 5631 1
788 . 1 1 67 67 ILE CA C 13 61.20 0.30 . 1 . . . . . . . . 5631 1
789 . 1 1 67 67 ILE CB C 13 38.70 0.30 . 1 . . . . . . . . 5631 1
790 . 1 1 67 67 ILE CG1 C 13 26.60 0.30 . 1 . . . . . . . . 5631 1
791 . 1 1 67 67 ILE CG2 C 13 18.00 0.30 . 1 . . . . . . . . 5631 1
792 . 1 1 67 67 ILE CD1 C 13 48.30 0.30 . 1 . . . . . . . . 5631 1
793 . 1 1 67 67 ILE N N 15 120.95 0.40 . 1 . . . . . . . . 5631 1
794 . 1 1 68 68 GLN H H 1 7.87 0.03 . 1 . . . . . . . . 5631 1
795 . 1 1 68 68 GLN HA H 1 5.12 0.03 . 1 . . . . . . . . 5631 1
796 . 1 1 68 68 GLN HB2 H 1 1.98 0.03 . 2 . . . . . . . . 5631 1
797 . 1 1 68 68 GLN HB3 H 1 1.75 0.03 . 2 . . . . . . . . 5631 1
798 . 1 1 68 68 GLN HG2 H 1 2.00 0.03 . 1 . . . . . . . . 5631 1
799 . 1 1 68 68 GLN HG3 H 1 2.00 0.03 . 1 . . . . . . . . 5631 1
800 . 1 1 68 68 GLN HE21 H 1 6.83 0.03 . 1 . . . . . . . . 5631 1
801 . 1 1 68 68 GLN HE22 H 1 7.45 0.03 . 1 . . . . . . . . 5631 1
802 . 1 1 68 68 GLN C C 13 172.96 0.10 . 1 . . . . . . . . 5631 1
803 . 1 1 68 68 GLN CA C 13 55.30 0.30 . 1 . . . . . . . . 5631 1
804 . 1 1 68 68 GLN CB C 13 34.10 0.30 . 1 . . . . . . . . 5631 1
805 . 1 1 68 68 GLN CG C 13 34.70 0.30 . 1 . . . . . . . . 5631 1
806 . 1 1 68 68 GLN N N 15 124.51 0.40 . 1 . . . . . . . . 5631 1
807 . 1 1 68 68 GLN NE2 N 15 111.47 0.40 . 1 . . . . . . . . 5631 1
808 . 1 1 69 69 ALA H H 1 8.57 0.03 . 1 . . . . . . . . 5631 1
809 . 1 1 69 69 ALA HA H 1 5.11 0.03 . 1 . . . . . . . . 5631 1
810 . 1 1 69 69 ALA HB1 H 1 0.84 0.03 . 1 . . . . . . . . 5631 1
811 . 1 1 69 69 ALA HB2 H 1 0.84 0.03 . 1 . . . . . . . . 5631 1
812 . 1 1 69 69 ALA HB3 H 1 0.84 0.03 . 1 . . . . . . . . 5631 1
813 . 1 1 69 69 ALA C C 13 175.14 0.10 . 1 . . . . . . . . 5631 1
814 . 1 1 69 69 ALA CA C 13 51.10 0.30 . 1 . . . . . . . . 5631 1
815 . 1 1 69 69 ALA CB C 13 22.40 0.30 . 1 . . . . . . . . 5631 1
816 . 1 1 69 69 ALA N N 15 124.99 0.40 . 1 . . . . . . . . 5631 1
817 . 1 1 70 70 ASN H H 1 9.47 0.03 . 1 . . . . . . . . 5631 1
818 . 1 1 70 70 ASN HA H 1 4.35 0.03 . 1 . . . . . . . . 5631 1
819 . 1 1 70 70 ASN HB2 H 1 3.01 0.03 . 1 . . . . . . . . 5631 1
820 . 1 1 70 70 ASN HB3 H 1 1.89 0.03 . 1 . . . . . . . . 5631 1
821 . 1 1 70 70 ASN HD21 H 1 5.78 0.03 . 1 . . . . . . . . 5631 1
822 . 1 1 70 70 ASN HD22 H 1 6.77 0.03 . 1 . . . . . . . . 5631 1
823 . 1 1 70 70 ASN CA C 13 53.30 0.30 . 1 . . . . . . . . 5631 1
824 . 1 1 70 70 ASN CB C 13 36.40 0.30 . 1 . . . . . . . . 5631 1
825 . 1 1 70 70 ASN N N 15 124.35 0.40 . 1 . . . . . . . . 5631 1
826 . 1 1 70 70 ASN ND2 N 15 108.00 0.40 . 1 . . . . . . . . 5631 1
827 . 1 1 71 71 GLY H H 1 8.42 0.03 . 1 . . . . . . . . 5631 1
828 . 1 1 71 71 GLY HA2 H 1 4.03 0.03 . 2 . . . . . . . . 5631 1
829 . 1 1 71 71 GLY HA3 H 1 3.46 0.03 . 2 . . . . . . . . 5631 1
830 . 1 1 71 71 GLY C C 13 174.02 0.10 . 1 . . . . . . . . 5631 1
831 . 1 1 71 71 GLY CA C 13 45.30 0.30 . 1 . . . . . . . . 5631 1
832 . 1 1 71 71 GLY N N 15 102.20 0.40 . 1 . . . . . . . . 5631 1
833 . 1 1 72 72 TYR H H 1 8.48 0.03 . 1 . . . . . . . . 5631 1
834 . 1 1 72 72 TYR HA H 1 4.50 0.03 . 1 . . . . . . . . 5631 1
835 . 1 1 72 72 TYR HB2 H 1 3.54 0.03 . 2 . . . . . . . . 5631 1
836 . 1 1 72 72 TYR HB3 H 1 3.08 0.03 . 2 . . . . . . . . 5631 1
837 . 1 1 72 72 TYR HD1 H 1 7.43 0.03 . 1 . . . . . . . . 5631 1
838 . 1 1 72 72 TYR HD2 H 1 7.43 0.03 . 1 . . . . . . . . 5631 1
839 . 1 1 72 72 TYR HE1 H 1 6.98 0.03 . 1 . . . . . . . . 5631 1
840 . 1 1 72 72 TYR HE2 H 1 6.98 0.03 . 1 . . . . . . . . 5631 1
841 . 1 1 72 72 TYR C C 13 175.98 0.10 . 1 . . . . . . . . 5631 1
842 . 1 1 72 72 TYR CA C 13 57.80 0.30 . 1 . . . . . . . . 5631 1
843 . 1 1 72 72 TYR CB C 13 38.80 0.30 . 1 . . . . . . . . 5631 1
844 . 1 1 72 72 TYR CD1 C 13 133.98 0.30 . 1 . . . . . . . . 5631 1
845 . 1 1 72 72 TYR CD2 C 13 133.98 0.30 . 1 . . . . . . . . 5631 1
846 . 1 1 72 72 TYR CE1 C 13 154.10 0.30 . 1 . . . . . . . . 5631 1
847 . 1 1 72 72 TYR CE2 C 13 154.10 0.30 . 1 . . . . . . . . 5631 1
848 . 1 1 72 72 TYR N N 15 121.20 0.40 . 1 . . . . . . . . 5631 1
849 . 1 1 73 73 SER H H 1 8.94 0.03 . 1 . . . . . . . . 5631 1
850 . 1 1 73 73 SER HA H 1 4.53 0.03 . 1 . . . . . . . . 5631 1
851 . 1 1 73 73 SER HB2 H 1 4.11 0.03 . 2 . . . . . . . . 5631 1
852 . 1 1 73 73 SER HB3 H 1 3.93 0.03 . 2 . . . . . . . . 5631 1
853 . 1 1 73 73 SER C C 13 176.22 0.10 . 1 . . . . . . . . 5631 1
854 . 1 1 73 73 SER CA C 13 58.80 0.30 . 1 . . . . . . . . 5631 1
855 . 1 1 73 73 SER CB C 13 63.40 0.30 . 1 . . . . . . . . 5631 1
856 . 1 1 73 73 SER N N 15 117.62 0.40 . 1 . . . . . . . . 5631 1
857 . 1 1 74 74 PHE H H 1 8.52 0.03 . 1 . . . . . . . . 5631 1
858 . 1 1 74 74 PHE HA H 1 4.78 0.03 . 1 . . . . . . . . 5631 1
859 . 1 1 74 74 PHE HB2 H 1 3.39 0.03 . 2 . . . . . . . . 5631 1
860 . 1 1 74 74 PHE HB3 H 1 2.49 0.03 . 2 . . . . . . . . 5631 1
861 . 1 1 74 74 PHE HD1 H 1 7.14 0.03 . 1 . . . . . . . . 5631 1
862 . 1 1 74 74 PHE HD2 H 1 7.14 0.03 . 1 . . . . . . . . 5631 1
863 . 1 1 74 74 PHE HE1 H 1 7.13 0.03 . 1 . . . . . . . . 5631 1
864 . 1 1 74 74 PHE HE2 H 1 7.13 0.03 . 1 . . . . . . . . 5631 1
865 . 1 1 74 74 PHE HZ H 1 7.13 0.03 . 1 . . . . . . . . 5631 1
866 . 1 1 74 74 PHE C C 13 174.99 0.10 . 1 . . . . . . . . 5631 1
867 . 1 1 74 74 PHE CA C 13 55.60 0.30 . 1 . . . . . . . . 5631 1
868 . 1 1 74 74 PHE CB C 13 38.20 0.30 . 1 . . . . . . . . 5631 1
869 . 1 1 74 74 PHE CD1 C 13 130.38 0.30 . 1 . . . . . . . . 5631 1
870 . 1 1 74 74 PHE CD2 C 13 130.38 0.30 . 1 . . . . . . . . 5631 1
871 . 1 1 74 74 PHE CE1 C 13 130.20 0.30 . 1 . . . . . . . . 5631 1
872 . 1 1 74 74 PHE CE2 C 13 130.20 0.30 . 1 . . . . . . . . 5631 1
873 . 1 1 74 74 PHE CZ C 13 130.20 0.30 . 1 . . . . . . . . 5631 1
874 . 1 1 74 74 PHE N N 15 129.19 0.40 . 1 . . . . . . . . 5631 1
875 . 1 1 75 75 ILE H H 1 8.15 0.03 . 1 . . . . . . . . 5631 1
876 . 1 1 75 75 ILE HA H 1 4.14 0.03 . 1 . . . . . . . . 5631 1
877 . 1 1 75 75 ILE HB H 1 1.80 0.03 . 1 . . . . . . . . 5631 1
878 . 1 1 75 75 ILE HG12 H 1 1.63 0.03 . 2 . . . . . . . . 5631 1
879 . 1 1 75 75 ILE HG13 H 1 1.39 0.03 . 2 . . . . . . . . 5631 1
880 . 1 1 75 75 ILE HG21 H 1 0.92 0.03 . 1 . . . . . . . . 5631 1
881 . 1 1 75 75 ILE HG22 H 1 0.92 0.03 . 1 . . . . . . . . 5631 1
882 . 1 1 75 75 ILE HG23 H 1 0.92 0.03 . 1 . . . . . . . . 5631 1
883 . 1 1 75 75 ILE HD11 H 1 0.88 0.03 . 1 . . . . . . . . 5631 1
884 . 1 1 75 75 ILE HD12 H 1 0.88 0.03 . 1 . . . . . . . . 5631 1
885 . 1 1 75 75 ILE HD13 H 1 0.88 0.03 . 1 . . . . . . . . 5631 1
886 . 1 1 75 75 ILE C C 13 175.99 0.10 . 1 . . . . . . . . 5631 1
887 . 1 1 75 75 ILE CA C 13 61.10 0.30 . 1 . . . . . . . . 5631 1
888 . 1 1 75 75 ILE CB C 13 36.90 0.30 . 1 . . . . . . . . 5631 1
889 . 1 1 75 75 ILE CG1 C 13 27.40 0.30 . 1 . . . . . . . . 5631 1
890 . 1 1 75 75 ILE CG2 C 13 17.20 0.30 . 1 . . . . . . . . 5631 1
891 . 1 1 75 75 ILE CD1 C 13 47.30 0.30 . 1 . . . . . . . . 5631 1
892 . 1 1 75 75 ILE N N 15 123.16 0.40 . 1 . . . . . . . . 5631 1
893 . 1 1 76 76 ASN H H 1 9.09 0.03 . 1 . . . . . . . . 5631 1
894 . 1 1 76 76 ASN HA H 1 4.28 0.03 . 1 . . . . . . . . 5631 1
895 . 1 1 76 76 ASN HB2 H 1 2.80 0.03 . 1 . . . . . . . . 5631 1
896 . 1 1 76 76 ASN HB3 H 1 3.07 0.03 . 1 . . . . . . . . 5631 1
897 . 1 1 76 76 ASN HD21 H 1 6.81 0.03 . 1 . . . . . . . . 5631 1
898 . 1 1 76 76 ASN HD22 H 1 7.62 0.03 . 1 . . . . . . . . 5631 1
899 . 1 1 76 76 ASN C C 13 173.47 0.10 . 1 . . . . . . . . 5631 1
900 . 1 1 76 76 ASN CA C 13 54.00 0.30 . 1 . . . . . . . . 5631 1
901 . 1 1 76 76 ASN CB C 13 37.10 0.30 . 1 . . . . . . . . 5631 1
902 . 1 1 76 76 ASN N N 15 123.55 0.40 . 1 . . . . . . . . 5631 1
903 . 1 1 76 76 ASN ND2 N 15 112.43 0.40 . 1 . . . . . . . . 5631 1
904 . 1 1 77 77 ILE H H 1 7.62 0.03 . 1 . . . . . . . . 5631 1
905 . 1 1 77 77 ILE HA H 1 4.59 0.03 . 1 . . . . . . . . 5631 1
906 . 1 1 77 77 ILE HB H 1 1.44 0.03 . 1 . . . . . . . . 5631 1
907 . 1 1 77 77 ILE HG12 H 1 1.34 0.03 . 2 . . . . . . . . 5631 1
908 . 1 1 77 77 ILE HG13 H 1 1.05 0.03 . 2 . . . . . . . . 5631 1
909 . 1 1 77 77 ILE HG21 H 1 0.60 0.03 . 1 . . . . . . . . 5631 1
910 . 1 1 77 77 ILE HG22 H 1 0.60 0.03 . 1 . . . . . . . . 5631 1
911 . 1 1 77 77 ILE HG23 H 1 0.60 0.03 . 1 . . . . . . . . 5631 1
912 . 1 1 77 77 ILE HD11 H 1 0.16 0.03 . 1 . . . . . . . . 5631 1
913 . 1 1 77 77 ILE HD12 H 1 0.16 0.03 . 1 . . . . . . . . 5631 1
914 . 1 1 77 77 ILE HD13 H 1 0.16 0.03 . 1 . . . . . . . . 5631 1
915 . 1 1 77 77 ILE C C 13 175.31 0.10 . 1 . . . . . . . . 5631 1
916 . 1 1 77 77 ILE CA C 13 60.00 0.30 . 1 . . . . . . . . 5631 1
917 . 1 1 77 77 ILE CB C 13 42.00 0.30 . 1 . . . . . . . . 5631 1
918 . 1 1 77 77 ILE CG1 C 13 28.00 0.30 . 1 . . . . . . . . 5631 1
919 . 1 1 77 77 ILE CG2 C 13 16.80 0.30 . 1 . . . . . . . . 5631 1
920 . 1 1 77 77 ILE CD1 C 13 13.90 0.30 . 1 . . . . . . . . 5631 1
921 . 1 1 77 77 ILE N N 15 115.62 0.40 . 1 . . . . . . . . 5631 1
922 . 1 1 78 78 GLU H H 1 8.54 0.03 . 1 . . . . . . . . 5631 1
923 . 1 1 78 78 GLU HA H 1 4.50 0.03 . 1 . . . . . . . . 5631 1
924 . 1 1 78 78 GLU HB2 H 1 1.91 0.03 . 1 . . . . . . . . 5631 1
925 . 1 1 78 78 GLU HB3 H 1 2.32 0.03 . 1 . . . . . . . . 5631 1
926 . 1 1 78 78 GLU HG2 H 1 2.42 0.03 . 1 . . . . . . . . 5631 1
927 . 1 1 78 78 GLU HG3 H 1 2.42 0.03 . 1 . . . . . . . . 5631 1
928 . 1 1 78 78 GLU C C 13 177.09 0.10 . 1 . . . . . . . . 5631 1
929 . 1 1 78 78 GLU CA C 13 56.10 0.30 . 1 . . . . . . . . 5631 1
930 . 1 1 78 78 GLU CB C 13 31.40 0.30 . 1 . . . . . . . . 5631 1
931 . 1 1 78 78 GLU CG C 13 36.50 0.30 . 1 . . . . . . . . 5631 1
932 . 1 1 78 78 GLU N N 15 125.20 0.40 . 1 . . . . . . . . 5631 1
933 . 1 1 79 79 HIS H H 1 9.91 0.03 . 1 . . . . . . . . 5631 1
934 . 1 1 79 79 HIS HA H 1 3.67 0.03 . 1 . . . . . . . . 5631 1
935 . 1 1 79 79 HIS HB2 H 1 3.76 0.03 . 2 . . . . . . . . 5631 1
936 . 1 1 79 79 HIS HB3 H 1 3.07 0.03 . 2 . . . . . . . . 5631 1
937 . 1 1 79 79 HIS HD2 H 1 6.70 0.03 . 1 . . . . . . . . 5631 1
938 . 1 1 79 79 HIS HE1 H 1 7.77 0.03 . 1 . . . . . . . . 5631 1
939 . 1 1 79 79 HIS C C 13 177.03 0.10 . 1 . . . . . . . . 5631 1
940 . 1 1 79 79 HIS CA C 13 61.20 0.30 . 1 . . . . . . . . 5631 1
941 . 1 1 79 79 HIS CB C 13 29.10 0.30 . 1 . . . . . . . . 5631 1
942 . 1 1 79 79 HIS CD2 C 13 126.45 0.30 . 1 . . . . . . . . 5631 1
943 . 1 1 79 79 HIS CE1 C 13 136.70 0.30 . 1 . . . . . . . . 5631 1
944 . 1 1 79 79 HIS N N 15 123.99 0.40 . 1 . . . . . . . . 5631 1
945 . 1 1 80 80 GLY H H 1 8.98 0.03 . 1 . . . . . . . . 5631 1
946 . 1 1 80 80 GLY HA2 H 1 3.94 0.03 . 2 . . . . . . . . 5631 1
947 . 1 1 80 80 GLY HA3 H 1 3.88 0.03 . 2 . . . . . . . . 5631 1
948 . 1 1 80 80 GLY C C 13 176.89 0.10 . 1 . . . . . . . . 5631 1
949 . 1 1 80 80 GLY CA C 13 45.20 0.30 . 1 . . . . . . . . 5631 1
950 . 1 1 80 80 GLY N N 15 102.70 0.40 . 1 . . . . . . . . 5631 1
951 . 1 1 81 81 GLN H H 1 6.97 0.03 . 1 . . . . . . . . 5631 1
952 . 1 1 81 81 GLN HA H 1 4.12 0.03 . 1 . . . . . . . . 5631 1
953 . 1 1 81 81 GLN HB2 H 1 2.15 0.03 . 2 . . . . . . . . 5631 1
954 . 1 1 81 81 GLN HB3 H 1 1.90 0.03 . 2 . . . . . . . . 5631 1
955 . 1 1 81 81 GLN HG2 H 1 2.32 0.03 . 1 . . . . . . . . 5631 1
956 . 1 1 81 81 GLN HG3 H 1 2.32 0.03 . 1 . . . . . . . . 5631 1
957 . 1 1 81 81 GLN HE21 H 1 6.63 0.03 . 1 . . . . . . . . 5631 1
958 . 1 1 81 81 GLN HE22 H 1 7.01 0.03 . 1 . . . . . . . . 5631 1
959 . 1 1 81 81 GLN C C 13 177.08 0.10 . 1 . . . . . . . . 5631 1
960 . 1 1 81 81 GLN CA C 13 57.70 0.30 . 1 . . . . . . . . 5631 1
961 . 1 1 81 81 GLN CB C 13 28.10 0.30 . 1 . . . . . . . . 5631 1
962 . 1 1 81 81 GLN CG C 13 33.10 0.30 . 1 . . . . . . . . 5631 1
963 . 1 1 81 81 GLN N N 15 121.62 0.40 . 1 . . . . . . . . 5631 1
964 . 1 1 81 81 GLN NE2 N 15 110.85 0.40 . 1 . . . . . . . . 5631 1
965 . 1 1 82 82 ALA H H 1 7.63 0.03 . 1 . . . . . . . . 5631 1
966 . 1 1 82 82 ALA HA H 1 3.40 0.03 . 1 . . . . . . . . 5631 1
967 . 1 1 82 82 ALA HB1 H 1 0.98 0.03 . 1 . . . . . . . . 5631 1
968 . 1 1 82 82 ALA HB2 H 1 0.98 0.03 . 1 . . . . . . . . 5631 1
969 . 1 1 82 82 ALA HB3 H 1 0.98 0.03 . 1 . . . . . . . . 5631 1
970 . 1 1 82 82 ALA C C 13 178.62 0.10 . 1 . . . . . . . . 5631 1
971 . 1 1 82 82 ALA CA C 13 54.40 0.30 . 1 . . . . . . . . 5631 1
972 . 1 1 82 82 ALA CB C 13 18.10 0.30 . 1 . . . . . . . . 5631 1
973 . 1 1 82 82 ALA N N 15 122.27 0.40 . 1 . . . . . . . . 5631 1
974 . 1 1 83 83 VAL H H 1 7.98 0.03 . 1 . . . . . . . . 5631 1
975 . 1 1 83 83 VAL HA H 1 3.11 0.03 . 1 . . . . . . . . 5631 1
976 . 1 1 83 83 VAL HB H 1 1.98 0.03 . 1 . . . . . . . . 5631 1
977 . 1 1 83 83 VAL HG11 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1
978 . 1 1 83 83 VAL HG12 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1
979 . 1 1 83 83 VAL HG13 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1
980 . 1 1 83 83 VAL HG21 H 1 0.76 0.03 . 1 . . . . . . . . 5631 1
981 . 1 1 83 83 VAL HG22 H 1 0.76 0.03 . 1 . . . . . . . . 5631 1
982 . 1 1 83 83 VAL HG23 H 1 0.76 0.03 . 1 . . . . . . . . 5631 1
983 . 1 1 83 83 VAL C C 13 177.01 0.10 . 1 . . . . . . . . 5631 1
984 . 1 1 83 83 VAL CA C 13 66.80 0.30 . 1 . . . . . . . . 5631 1
985 . 1 1 83 83 VAL CB C 13 32.30 0.30 . 1 . . . . . . . . 5631 1
986 . 1 1 83 83 VAL CG1 C 13 57.70 0.30 . 1 . . . . . . . . 5631 1
987 . 1 1 83 83 VAL CG2 C 13 60.40 0.30 . 1 . . . . . . . . 5631 1
988 . 1 1 83 83 VAL N N 15 115.62 0.40 . 1 . . . . . . . . 5631 1
989 . 1 1 84 84 SER H H 1 7.86 0.03 . 1 . . . . . . . . 5631 1
990 . 1 1 84 84 SER HA H 1 3.94 0.03 . 1 . . . . . . . . 5631 1
991 . 1 1 84 84 SER HB2 H 1 3.83 0.03 . 2 . . . . . . . . 5631 1
992 . 1 1 84 84 SER HB3 H 1 3.77 0.03 . 2 . . . . . . . . 5631 1
993 . 1 1 84 84 SER C C 13 177.56 0.10 . 1 . . . . . . . . 5631 1
994 . 1 1 84 84 SER CA C 13 61.60 0.30 . 1 . . . . . . . . 5631 1
995 . 1 1 84 84 SER CB C 13 62.40 0.30 . 1 . . . . . . . . 5631 1
996 . 1 1 84 84 SER N N 15 112.47 0.40 . 1 . . . . . . . . 5631 1
997 . 1 1 85 85 LEU H H 1 7.92 0.03 . 1 . . . . . . . . 5631 1
998 . 1 1 85 85 LEU HA H 1 3.39 0.03 . 1 . . . . . . . . 5631 1
999 . 1 1 85 85 LEU HB2 H 1 1.65 0.03 . 1 . . . . . . . . 5631 1
1000 . 1 1 85 85 LEU HB3 H 1 0.86 0.03 . 1 . . . . . . . . 5631 1
1001 . 1 1 85 85 LEU HG H 1 1.40 0.03 . 1 . . . . . . . . 5631 1
1002 . 1 1 85 85 LEU HD11 H 1 0.45 0.03 . 1 . . . . . . . . 5631 1
1003 . 1 1 85 85 LEU HD12 H 1 0.45 0.03 . 1 . . . . . . . . 5631 1
1004 . 1 1 85 85 LEU HD13 H 1 0.45 0.03 . 1 . . . . . . . . 5631 1
1005 . 1 1 85 85 LEU HD21 H 1 0.20 0.03 . 1 . . . . . . . . 5631 1
1006 . 1 1 85 85 LEU HD22 H 1 0.20 0.03 . 1 . . . . . . . . 5631 1
1007 . 1 1 85 85 LEU HD23 H 1 0.20 0.03 . 1 . . . . . . . . 5631 1
1008 . 1 1 85 85 LEU C C 13 177.14 0.10 . 1 . . . . . . . . 5631 1
1009 . 1 1 85 85 LEU CA C 13 57.80 0.30 . 1 . . . . . . . . 5631 1
1010 . 1 1 85 85 LEU CB C 13 42.00 0.30 . 1 . . . . . . . . 5631 1
1011 . 1 1 85 85 LEU CG C 13 26.80 0.30 . 1 . . . . . . . . 5631 1
1012 . 1 1 85 85 LEU CD1 C 13 62.00 0.30 . 1 . . . . . . . . 5631 1
1013 . 1 1 85 85 LEU CD2 C 13 57.80 0.30 . 1 . . . . . . . . 5631 1
1014 . 1 1 85 85 LEU N N 15 121.57 0.40 . 1 . . . . . . . . 5631 1
1015 . 1 1 86 86 LEU H H 1 7.65 0.03 . 1 . . . . . . . . 5631 1
1016 . 1 1 86 86 LEU HA H 1 3.81 0.03 . 1 . . . . . . . . 5631 1
1017 . 1 1 86 86 LEU HB2 H 1 1.90 0.03 . 1 . . . . . . . . 5631 1
1018 . 1 1 86 86 LEU HB3 H 1 1.17 0.03 . 1 . . . . . . . . 5631 1
1019 . 1 1 86 86 LEU HG H 1 2.13 0.03 . 1 . . . . . . . . 5631 1
1020 . 1 1 86 86 LEU HD11 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1
1021 . 1 1 86 86 LEU HD12 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1
1022 . 1 1 86 86 LEU HD13 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1
1023 . 1 1 86 86 LEU HD21 H 1 0.88 0.03 . 1 . . . . . . . . 5631 1
1024 . 1 1 86 86 LEU HD22 H 1 0.88 0.03 . 1 . . . . . . . . 5631 1
1025 . 1 1 86 86 LEU HD23 H 1 0.88 0.03 . 1 . . . . . . . . 5631 1
1026 . 1 1 86 86 LEU C C 13 179.56 0.10 . 1 . . . . . . . . 5631 1
1027 . 1 1 86 86 LEU CA C 13 58.00 0.30 . 1 . . . . . . . . 5631 1
1028 . 1 1 86 86 LEU CB C 13 40.60 0.30 . 1 . . . . . . . . 5631 1
1029 . 1 1 86 86 LEU CG C 13 27.40 0.30 . 1 . . . . . . . . 5631 1
1030 . 1 1 86 86 LEU CD1 C 13 62.60 0.30 . 1 . . . . . . . . 5631 1
1031 . 1 1 86 86 LEU CD2 C 13 58.40 0.30 . 1 . . . . . . . . 5631 1
1032 . 1 1 86 86 LEU N N 15 114.85 0.40 . 1 . . . . . . . . 5631 1
1033 . 1 1 87 87 LYS H H 1 8.42 0.03 . 1 . . . . . . . . 5631 1
1034 . 1 1 87 87 LYS HA H 1 4.14 0.03 . 1 . . . . . . . . 5631 1
1035 . 1 1 87 87 LYS HB2 H 1 1.87 0.03 . 1 . . . . . . . . 5631 1
1036 . 1 1 87 87 LYS HB3 H 1 1.77 0.03 . 1 . . . . . . . . 5631 1
1037 . 1 1 87 87 LYS HG2 H 1 1.64 0.03 . 2 . . . . . . . . 5631 1
1038 . 1 1 87 87 LYS HG3 H 1 1.48 0.03 . 2 . . . . . . . . 5631 1
1039 . 1 1 87 87 LYS HD2 H 1 1.64 0.03 . 1 . . . . . . . . 5631 1
1040 . 1 1 87 87 LYS HD3 H 1 1.64 0.03 . 1 . . . . . . . . 5631 1
1041 . 1 1 87 87 LYS HE2 H 1 2.92 0.03 . 1 . . . . . . . . 5631 1
1042 . 1 1 87 87 LYS HE3 H 1 2.92 0.03 . 1 . . . . . . . . 5631 1
1043 . 1 1 87 87 LYS C C 13 178.08 0.10 . 1 . . . . . . . . 5631 1
1044 . 1 1 87 87 LYS CA C 13 58.90 0.30 . 1 . . . . . . . . 5631 1
1045 . 1 1 87 87 LYS CB C 13 32.60 0.30 . 1 . . . . . . . . 5631 1
1046 . 1 1 87 87 LYS CG C 13 25.90 0.30 . 1 . . . . . . . . 5631 1
1047 . 1 1 87 87 LYS CD C 13 29.10 0.30 . 1 . . . . . . . . 5631 1
1048 . 1 1 87 87 LYS CE C 13 41.60 0.30 . 1 . . . . . . . . 5631 1
1049 . 1 1 87 87 LYS N N 15 115.79 0.40 . 1 . . . . . . . . 5631 1
1050 . 1 1 88 88 THR H H 1 7.50 0.03 . 1 . . . . . . . . 5631 1
1051 . 1 1 88 88 THR HA H 1 4.06 0.03 . 1 . . . . . . . . 5631 1
1052 . 1 1 88 88 THR HB H 1 4.15 0.03 . 1 . . . . . . . . 5631 1
1053 . 1 1 88 88 THR HG21 H 1 1.20 0.03 . 1 . . . . . . . . 5631 1
1054 . 1 1 88 88 THR HG22 H 1 1.20 0.03 . 1 . . . . . . . . 5631 1
1055 . 1 1 88 88 THR HG23 H 1 1.20 0.03 . 1 . . . . . . . . 5631 1
1056 . 1 1 88 88 THR C C 13 176.23 0.10 . 1 . . . . . . . . 5631 1
1057 . 1 1 88 88 THR CA C 13 64.00 0.30 . 1 . . . . . . . . 5631 1
1058 . 1 1 88 88 THR CB C 13 69.30 0.30 . 1 . . . . . . . . 5631 1
1059 . 1 1 88 88 THR CG2 C 13 21.20 0.30 . 1 . . . . . . . . 5631 1
1060 . 1 1 88 88 THR N N 15 112.15 0.40 . 1 . . . . . . . . 5631 1
1061 . 1 1 89 89 PHE H H 1 7.23 0.03 . 1 . . . . . . . . 5631 1
1062 . 1 1 89 89 PHE HA H 1 4.83 0.03 . 1 . . . . . . . . 5631 1
1063 . 1 1 89 89 PHE HB2 H 1 3.24 0.03 . 2 . . . . . . . . 5631 1
1064 . 1 1 89 89 PHE HB3 H 1 2.75 0.03 . 2 . . . . . . . . 5631 1
1065 . 1 1 89 89 PHE HD1 H 1 7.26 0.03 . 1 . . . . . . . . 5631 1
1066 . 1 1 89 89 PHE HD2 H 1 7.26 0.03 . 1 . . . . . . . . 5631 1
1067 . 1 1 89 89 PHE HE1 H 1 7.16 0.03 . 1 . . . . . . . . 5631 1
1068 . 1 1 89 89 PHE HE2 H 1 7.16 0.03 . 1 . . . . . . . . 5631 1
1069 . 1 1 89 89 PHE HZ H 1 7.13 0.03 . 1 . . . . . . . . 5631 1
1070 . 1 1 89 89 PHE C C 13 175.83 0.10 . 1 . . . . . . . . 5631 1
1071 . 1 1 89 89 PHE CA C 13 55.70 0.30 . 1 . . . . . . . . 5631 1
1072 . 1 1 89 89 PHE CB C 13 39.10 0.30 . 1 . . . . . . . . 5631 1
1073 . 1 1 89 89 PHE CD1 C 13 131.38 0.30 . 1 . . . . . . . . 5631 1
1074 . 1 1 89 89 PHE CD2 C 13 131.38 0.30 . 1 . . . . . . . . 5631 1
1075 . 1 1 89 89 PHE CE1 C 13 130.60 0.30 . 1 . . . . . . . . 5631 1
1076 . 1 1 89 89 PHE CE2 C 13 130.60 0.30 . 1 . . . . . . . . 5631 1
1077 . 1 1 89 89 PHE CZ C 13 130.60 0.30 . 1 . . . . . . . . 5631 1
1078 . 1 1 89 89 PHE N N 15 121.17 0.40 . 1 . . . . . . . . 5631 1
1079 . 1 1 90 90 GLN H H 1 8.80 0.03 . 1 . . . . . . . . 5631 1
1080 . 1 1 90 90 GLN HA H 1 4.49 0.03 . 1 . . . . . . . . 5631 1
1081 . 1 1 90 90 GLN HB2 H 1 2.17 0.03 . 2 . . . . . . . . 5631 1
1082 . 1 1 90 90 GLN HB3 H 1 2.00 0.03 . 2 . . . . . . . . 5631 1
1083 . 1 1 90 90 GLN HG2 H 1 2.48 0.03 . 1 . . . . . . . . 5631 1
1084 . 1 1 90 90 GLN HG3 H 1 2.48 0.03 . 1 . . . . . . . . 5631 1
1085 . 1 1 90 90 GLN HE21 H 1 6.91 0.03 . 1 . . . . . . . . 5631 1
1086 . 1 1 90 90 GLN HE22 H 1 7.47 0.03 . 1 . . . . . . . . 5631 1
1087 . 1 1 90 90 GLN C C 13 175.84 0.10 . 1 . . . . . . . . 5631 1
1088 . 1 1 90 90 GLN CA C 13 55.00 0.30 . 1 . . . . . . . . 5631 1
1089 . 1 1 90 90 GLN CB C 13 31.00 0.30 . 1 . . . . . . . . 5631 1
1090 . 1 1 90 90 GLN CG C 13 33.70 0.30 . 1 . . . . . . . . 5631 1
1091 . 1 1 90 90 GLN N N 15 119.97 0.40 . 1 . . . . . . . . 5631 1
1092 . 1 1 90 90 GLN NE2 N 15 112.92 0.40 . 1 . . . . . . . . 5631 1
1093 . 1 1 91 91 ASN H H 1 8.97 0.03 . 1 . . . . . . . . 5631 1
1094 . 1 1 91 91 ASN HA H 1 4.34 0.03 . 1 . . . . . . . . 5631 1
1095 . 1 1 91 91 ASN HB2 H 1 3.16 0.03 . 2 . . . . . . . . 5631 1
1096 . 1 1 91 91 ASN HB3 H 1 2.98 0.03 . 2 . . . . . . . . 5631 1
1097 . 1 1 91 91 ASN HD21 H 1 7.00 0.03 . 1 . . . . . . . . 5631 1
1098 . 1 1 91 91 ASN HD22 H 1 7.76 0.03 . 1 . . . . . . . . 5631 1
1099 . 1 1 91 91 ASN C C 13 173.88 0.10 . 1 . . . . . . . . 5631 1
1100 . 1 1 91 91 ASN CA C 13 56.90 0.30 . 1 . . . . . . . . 5631 1
1101 . 1 1 91 91 ASN CB C 13 38.10 0.30 . 1 . . . . . . . . 5631 1
1102 . 1 1 91 91 ASN N N 15 115.53 0.40 . 1 . . . . . . . . 5631 1
1103 . 1 1 91 91 ASN ND2 N 15 113.65 0.40 . 1 . . . . . . . . 5631 1
1104 . 1 1 92 92 THR H H 1 8.31 0.03 . 1 . . . . . . . . 5631 1
1105 . 1 1 92 92 THR HA H 1 4.62 0.03 . 1 . . . . . . . . 5631 1
1106 . 1 1 92 92 THR HB H 1 3.85 0.03 . 1 . . . . . . . . 5631 1
1107 . 1 1 92 92 THR HG21 H 1 1.01 0.03 . 1 . . . . . . . . 5631 1
1108 . 1 1 92 92 THR HG22 H 1 1.01 0.03 . 1 . . . . . . . . 5631 1
1109 . 1 1 92 92 THR HG23 H 1 1.01 0.03 . 1 . . . . . . . . 5631 1
1110 . 1 1 92 92 THR C C 13 173.86 0.10 . 1 . . . . . . . . 5631 1
1111 . 1 1 92 92 THR CA C 13 62.40 0.30 . 1 . . . . . . . . 5631 1
1112 . 1 1 92 92 THR CB C 13 69.70 0.30 . 1 . . . . . . . . 5631 1
1113 . 1 1 92 92 THR CG2 C 13 22.00 0.30 . 1 . . . . . . . . 5631 1
1114 . 1 1 92 92 THR N N 15 117.63 0.40 . 1 . . . . . . . . 5631 1
1115 . 1 1 93 93 VAL H H 1 9.10 0.03 . 1 . . . . . . . . 5631 1
1116 . 1 1 93 93 VAL HA H 1 4.27 0.03 . 1 . . . . . . . . 5631 1
1117 . 1 1 93 93 VAL HB H 1 1.97 0.03 . 1 . . . . . . . . 5631 1
1118 . 1 1 93 93 VAL HG11 H 1 0.72 0.03 . 1 . . . . . . . . 5631 1
1119 . 1 1 93 93 VAL HG12 H 1 0.72 0.03 . 1 . . . . . . . . 5631 1
1120 . 1 1 93 93 VAL HG13 H 1 0.72 0.03 . 1 . . . . . . . . 5631 1
1121 . 1 1 93 93 VAL HG21 H 1 0.97 0.03 . 1 . . . . . . . . 5631 1
1122 . 1 1 93 93 VAL HG22 H 1 0.97 0.03 . 1 . . . . . . . . 5631 1
1123 . 1 1 93 93 VAL HG23 H 1 0.97 0.03 . 1 . . . . . . . . 5631 1
1124 . 1 1 93 93 VAL C C 13 173.57 0.10 . 1 . . . . . . . . 5631 1
1125 . 1 1 93 93 VAL CA C 13 60.80 0.30 . 1 . . . . . . . . 5631 1
1126 . 1 1 93 93 VAL CB C 13 34.10 0.30 . 1 . . . . . . . . 5631 1
1127 . 1 1 93 93 VAL CG1 C 13 57.40 0.30 . 1 . . . . . . . . 5631 1
1128 . 1 1 93 93 VAL CG2 C 13 59.40 0.30 . 1 . . . . . . . . 5631 1
1129 . 1 1 93 93 VAL N N 15 127.71 0.40 . 1 . . . . . . . . 5631 1
1130 . 1 1 94 94 GLU H H 1 8.70 0.03 . 1 . . . . . . . . 5631 1
1131 . 1 1 94 94 GLU HA H 1 4.89 0.03 . 1 . . . . . . . . 5631 1
1132 . 1 1 94 94 GLU HB3 H 1 1.81 0.03 . 2 . . . . . . . . 5631 1
1133 . 1 1 94 94 GLU HG2 H 1 2.00 0.03 . 2 . . . . . . . . 5631 1
1134 . 1 1 94 94 GLU HG3 H 1 1.83 0.03 . 2 . . . . . . . . 5631 1
1135 . 1 1 94 94 GLU C C 13 175.42 0.10 . 1 . . . . . . . . 5631 1
1136 . 1 1 94 94 GLU CA C 13 54.90 0.30 . 1 . . . . . . . . 5631 1
1137 . 1 1 94 94 GLU CB C 13 30.80 0.30 . 1 . . . . . . . . 5631 1
1138 . 1 1 94 94 GLU CG C 13 37.10 0.30 . 1 . . . . . . . . 5631 1
1139 . 1 1 94 94 GLU N N 15 127.93 0.40 . 1 . . . . . . . . 5631 1
1140 . 1 1 95 95 LEU H H 1 9.42 0.03 . 1 . . . . . . . . 5631 1
1141 . 1 1 95 95 LEU HA H 1 5.11 0.03 . 1 . . . . . . . . 5631 1
1142 . 1 1 95 95 LEU HB2 H 1 1.62 0.03 . 1 . . . . . . . . 5631 1
1143 . 1 1 95 95 LEU HB3 H 1 1.15 0.03 . 1 . . . . . . . . 5631 1
1144 . 1 1 95 95 LEU HG H 1 1.52 0.03 . 1 . . . . . . . . 5631 1
1145 . 1 1 95 95 LEU HD11 H 1 0.69 0.03 . 1 . . . . . . . . 5631 1
1146 . 1 1 95 95 LEU HD12 H 1 0.69 0.03 . 1 . . . . . . . . 5631 1
1147 . 1 1 95 95 LEU HD13 H 1 0.69 0.03 . 1 . . . . . . . . 5631 1
1148 . 1 1 95 95 LEU HD21 H 1 0.70 0.03 . 1 . . . . . . . . 5631 1
1149 . 1 1 95 95 LEU HD22 H 1 0.70 0.03 . 1 . . . . . . . . 5631 1
1150 . 1 1 95 95 LEU HD23 H 1 0.70 0.03 . 1 . . . . . . . . 5631 1
1151 . 1 1 95 95 LEU C C 13 175.66 0.10 . 1 . . . . . . . . 5631 1
1152 . 1 1 95 95 LEU CA C 13 53.40 0.30 . 1 . . . . . . . . 5631 1
1153 . 1 1 95 95 LEU CB C 13 44.80 0.30 . 1 . . . . . . . . 5631 1
1154 . 1 1 95 95 LEU CG C 13 26.90 0.30 . 1 . . . . . . . . 5631 1
1155 . 1 1 95 95 LEU CD1 C 13 63.30 0.30 . 1 . . . . . . . . 5631 1
1156 . 1 1 95 95 LEU CD2 C 13 61.20 0.30 . 1 . . . . . . . . 5631 1
1157 . 1 1 95 95 LEU N N 15 128.29 0.40 . 1 . . . . . . . . 5631 1
1158 . 1 1 96 96 ILE H H 1 8.35 0.03 . 1 . . . . . . . . 5631 1
1159 . 1 1 96 96 ILE HA H 1 4.79 0.03 . 1 . . . . . . . . 5631 1
1160 . 1 1 96 96 ILE HB H 1 1.59 0.03 . 1 . . . . . . . . 5631 1
1161 . 1 1 96 96 ILE HG12 H 1 1.39 0.03 . 2 . . . . . . . . 5631 1
1162 . 1 1 96 96 ILE HG13 H 1 0.97 0.03 . 2 . . . . . . . . 5631 1
1163 . 1 1 96 96 ILE HG21 H 1 0.68 0.03 . 1 . . . . . . . . 5631 1
1164 . 1 1 96 96 ILE HG22 H 1 0.68 0.03 . 1 . . . . . . . . 5631 1
1165 . 1 1 96 96 ILE HG23 H 1 0.68 0.03 . 1 . . . . . . . . 5631 1
1166 . 1 1 96 96 ILE HD11 H 1 0.65 0.03 . 1 . . . . . . . . 5631 1
1167 . 1 1 96 96 ILE HD12 H 1 0.65 0.03 . 1 . . . . . . . . 5631 1
1168 . 1 1 96 96 ILE HD13 H 1 0.65 0.03 . 1 . . . . . . . . 5631 1
1169 . 1 1 96 96 ILE C C 13 175.80 0.10 . 1 . . . . . . . . 5631 1
1170 . 1 1 96 96 ILE CA C 13 60.80 0.30 . 1 . . . . . . . . 5631 1
1171 . 1 1 96 96 ILE CB C 13 37.60 0.30 . 1 . . . . . . . . 5631 1
1172 . 1 1 96 96 ILE CG1 C 13 26.90 0.30 . 1 . . . . . . . . 5631 1
1173 . 1 1 96 96 ILE CG2 C 13 17.40 0.30 . 1 . . . . . . . . 5631 1
1174 . 1 1 96 96 ILE CD1 C 13 47.70 0.30 . 1 . . . . . . . . 5631 1
1175 . 1 1 96 96 ILE N N 15 120.78 0.40 . 1 . . . . . . . . 5631 1
1176 . 1 1 97 97 ILE H H 1 9.06 0.03 . 1 . . . . . . . . 5631 1
1177 . 1 1 97 97 ILE HA H 1 5.51 0.03 . 1 . . . . . . . . 5631 1
1178 . 1 1 97 97 ILE HB H 1 1.57 0.03 . 1 . . . . . . . . 5631 1
1179 . 1 1 97 97 ILE HG12 H 1 1.25 0.03 . 2 . . . . . . . . 5631 1
1180 . 1 1 97 97 ILE HG13 H 1 0.92 0.03 . 2 . . . . . . . . 5631 1
1181 . 1 1 97 97 ILE HG21 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1
1182 . 1 1 97 97 ILE HG22 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1
1183 . 1 1 97 97 ILE HG23 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1
1184 . 1 1 97 97 ILE HD11 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1
1185 . 1 1 97 97 ILE HD12 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1
1186 . 1 1 97 97 ILE HD13 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1
1187 . 1 1 97 97 ILE C C 13 174.80 0.10 . 1 . . . . . . . . 5631 1
1188 . 1 1 97 97 ILE CA C 13 56.70 0.30 . 1 . . . . . . . . 5631 1
1189 . 1 1 97 97 ILE CB C 13 42.10 0.30 . 1 . . . . . . . . 5631 1
1190 . 1 1 97 97 ILE CG1 C 13 26.50 0.30 . 1 . . . . . . . . 5631 1
1191 . 1 1 97 97 ILE CG2 C 13 19.50 0.30 . 1 . . . . . . . . 5631 1
1192 . 1 1 97 97 ILE CD1 C 13 15.20 0.30 . 1 . . . . . . . . 5631 1
1193 . 1 1 97 97 ILE N N 15 122.76 0.40 . 1 . . . . . . . . 5631 1
1194 . 1 1 98 98 VAL H H 1 9.04 0.03 . 1 . . . . . . . . 5631 1
1195 . 1 1 98 98 VAL HA H 1 4.85 0.03 . 1 . . . . . . . . 5631 1
1196 . 1 1 98 98 VAL HB H 1 1.76 0.03 . 1 . . . . . . . . 5631 1
1197 . 1 1 98 98 VAL HG11 H 1 0.83 0.03 . 1 . . . . . . . . 5631 1
1198 . 1 1 98 98 VAL HG12 H 1 0.83 0.03 . 1 . . . . . . . . 5631 1
1199 . 1 1 98 98 VAL HG13 H 1 0.83 0.03 . 1 . . . . . . . . 5631 1
1200 . 1 1 98 98 VAL HG21 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1
1201 . 1 1 98 98 VAL HG22 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1
1202 . 1 1 98 98 VAL HG23 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1
1203 . 1 1 98 98 VAL C C 13 175.03 0.10 . 1 . . . . . . . . 5631 1
1204 . 1 1 98 98 VAL CA C 13 61.10 0.30 . 1 . . . . . . . . 5631 1
1205 . 1 1 98 98 VAL CB C 13 34.20 0.30 . 1 . . . . . . . . 5631 1
1206 . 1 1 98 98 VAL CG1 C 13 57.50 0.30 . 1 . . . . . . . . 5631 1
1207 . 1 1 98 98 VAL CG2 C 13 57.80 0.30 . 1 . . . . . . . . 5631 1
1208 . 1 1 98 98 VAL N N 15 119.61 0.40 . 1 . . . . . . . . 5631 1
1209 . 1 1 99 99 ARG H H 1 8.93 0.03 . 1 . . . . . . . . 5631 1
1210 . 1 1 99 99 ARG HA H 1 4.67 0.03 . 1 . . . . . . . . 5631 1
1211 . 1 1 99 99 ARG HB2 H 1 1.59 0.03 . 2 . . . . . . . . 5631 1
1212 . 1 1 99 99 ARG HB3 H 1 1.51 0.03 . 2 . . . . . . . . 5631 1
1213 . 1 1 99 99 ARG HG2 H 1 1.48 0.03 . 1 . . . . . . . . 5631 1
1214 . 1 1 99 99 ARG HG3 H 1 1.48 0.03 . 1 . . . . . . . . 5631 1
1215 . 1 1 99 99 ARG HD2 H 1 3.06 0.03 . 2 . . . . . . . . 5631 1
1216 . 1 1 99 99 ARG HD3 H 1 2.75 0.03 . 2 . . . . . . . . 5631 1
1217 . 1 1 99 99 ARG C C 13 174.67 0.10 . 1 . . . . . . . . 5631 1
1218 . 1 1 99 99 ARG CA C 13 54.30 0.30 . 1 . . . . . . . . 5631 1
1219 . 1 1 99 99 ARG CB C 13 34.70 0.30 . 1 . . . . . . . . 5631 1
1220 . 1 1 99 99 ARG CG C 13 34.80 0.30 . 1 . . . . . . . . 5631 1
1221 . 1 1 99 99 ARG CD C 13 43.30 0.30 . 1 . . . . . . . . 5631 1
1222 . 1 1 99 99 ARG N N 15 131.30 0.40 . 1 . . . . . . . . 5631 1
1223 . 1 1 100 100 GLU H H 1 8.96 0.03 . 1 . . . . . . . . 5631 1
1224 . 1 1 100 100 GLU HA H 1 4.66 0.03 . 1 . . . . . . . . 5631 1
1225 . 1 1 100 100 GLU HB3 H 1 1.90 0.03 . 2 . . . . . . . . 5631 1
1226 . 1 1 100 100 GLU HG2 H 1 2.32 0.03 . 2 . . . . . . . . 5631 1
1227 . 1 1 100 100 GLU HG3 H 1 2.08 0.03 . 2 . . . . . . . . 5631 1
1228 . 1 1 100 100 GLU C C 13 176.12 0.10 . 1 . . . . . . . . 5631 1
1229 . 1 1 100 100 GLU CA C 13 56.10 0.30 . 1 . . . . . . . . 5631 1
1230 . 1 1 100 100 GLU CB C 13 30.50 0.30 . 1 . . . . . . . . 5631 1
1231 . 1 1 100 100 GLU CG C 13 36.90 0.30 . 1 . . . . . . . . 5631 1
1232 . 1 1 100 100 GLU N N 15 126.73 0.40 . 1 . . . . . . . . 5631 1
1233 . 1 1 101 101 VAL H H 1 8.48 0.03 . 1 . . . . . . . . 5631 1
1234 . 1 1 101 101 VAL HA H 1 4.22 0.03 . 1 . . . . . . . . 5631 1
1235 . 1 1 101 101 VAL HB H 1 2.03 0.03 . 1 . . . . . . . . 5631 1
1236 . 1 1 101 101 VAL HG11 H 1 0.87 0.03 . 1 . . . . . . . . 5631 1
1237 . 1 1 101 101 VAL HG12 H 1 0.87 0.03 . 1 . . . . . . . . 5631 1
1238 . 1 1 101 101 VAL HG13 H 1 0.87 0.03 . 1 . . . . . . . . 5631 1
1239 . 1 1 101 101 VAL HG21 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1
1240 . 1 1 101 101 VAL HG22 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1
1241 . 1 1 101 101 VAL HG23 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1
1242 . 1 1 101 101 VAL C C 13 175.44 0.10 . 1 . . . . . . . . 5631 1
1243 . 1 1 101 101 VAL CA C 13 61.40 0.30 . 1 . . . . . . . . 5631 1
1244 . 1 1 101 101 VAL CB C 13 33.60 0.30 . 1 . . . . . . . . 5631 1
1245 . 1 1 101 101 VAL CG1 C 13 57.20 0.30 . 1 . . . . . . . . 5631 1
1246 . 1 1 101 101 VAL CG2 C 13 56.20 0.30 . 1 . . . . . . . . 5631 1
1247 . 1 1 101 101 VAL N N 15 122.36 0.40 . 1 . . . . . . . . 5631 1
1248 . 1 1 102 102 SER H H 1 8.43 0.03 . 1 . . . . . . . . 5631 1
1249 . 1 1 102 102 SER HA H 1 4.58 0.03 . 1 . . . . . . . . 5631 1
1250 . 1 1 102 102 SER HB2 H 1 3.84 0.03 . 1 . . . . . . . . 5631 1
1251 . 1 1 102 102 SER HB3 H 1 3.84 0.03 . 1 . . . . . . . . 5631 1
1252 . 1 1 102 102 SER C C 13 173.77 0.10 . 1 . . . . . . . . 5631 1
1253 . 1 1 102 102 SER CA C 13 57.90 0.30 . 1 . . . . . . . . 5631 1
1254 . 1 1 102 102 SER CB C 13 64.00 0.30 . 1 . . . . . . . . 5631 1
1255 . 1 1 102 102 SER N N 15 119.93 0.40 . 1 . . . . . . . . 5631 1
1256 . 1 1 103 103 SER H H 1 8.04 0.03 . 1 . . . . . . . . 5631 1
1257 . 1 1 103 103 SER HA H 1 4.25 0.03 . 1 . . . . . . . . 5631 1
1258 . 1 1 103 103 SER HB2 H 1 3.83 0.03 . 1 . . . . . . . . 5631 1
1259 . 1 1 103 103 SER HB3 H 1 3.83 0.03 . 1 . . . . . . . . 5631 1
1260 . 1 1 103 103 SER CA C 13 59.80 0.30 . 1 . . . . . . . . 5631 1
1261 . 1 1 103 103 SER CB C 13 64.60 0.30 . 1 . . . . . . . . 5631 1
1262 . 1 1 103 103 SER N N 15 123.57 0.40 . 1 . . . . . . . . 5631 1
stop_
save_
save_chemical_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2
_Assigned_chem_shift_list.Entry_ID 5631
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_1 . 5631 2
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 . 2 2 1 1 THR H H 1 8.17 0.03 . 1 . . . . . . . . 5631 2
2 . 2 2 1 1 THR HA H 1 4.29 0.03 . 1 . . . . . . . . 5631 2
3 . 2 2 1 1 THR HB H 1 4.19 0.03 . 1 . . . . . . . . 5631 2
4 . 2 2 1 1 THR HG21 H 1 1.16 0.03 . 1 . . . . . . . . 5631 2
5 . 2 2 1 1 THR HG22 H 1 1.16 0.03 . 1 . . . . . . . . 5631 2
6 . 2 2 1 1 THR HG23 H 1 1.16 0.03 . 1 . . . . . . . . 5631 2
7 . 2 2 2 2 GLY H H 1 8.40 0.03 . 1 . . . . . . . . 5631 2
8 . 2 2 2 2 GLY HA2 H 1 3.81 0.03 . 1 . . . . . . . . 5631 2
9 . 2 2 2 2 GLY HA3 H 1 3.81 0.03 . 1 . . . . . . . . 5631 2
10 . 2 2 3 3 TRP H H 1 7.94 0.03 . 1 . . . . . . . . 5631 2
11 . 2 2 3 3 TRP HA H 1 4.53 0.03 . 1 . . . . . . . . 5631 2
12 . 2 2 3 3 TRP HB2 H 1 3.00 0.03 . 1 . . . . . . . . 5631 2
13 . 2 2 3 3 TRP HB3 H 1 3.17 0.03 . 1 . . . . . . . . 5631 2
14 . 2 2 3 3 TRP HD1 H 1 7.05 0.03 . 1 . . . . . . . . 5631 2
15 . 2 2 3 3 TRP HE1 H 1 9.94 0.03 . 1 . . . . . . . . 5631 2
16 . 2 2 3 3 TRP HE3 H 1 7.46 0.03 . 1 . . . . . . . . 5631 2
17 . 2 2 3 3 TRP HZ2 H 1 7.33 0.03 . 1 . . . . . . . . 5631 2
18 . 2 2 3 3 TRP HZ3 H 1 6.92 0.03 . 1 . . . . . . . . 5631 2
19 . 2 2 3 3 TRP HH2 H 1 7.01 0.03 . 1 . . . . . . . . 5631 2
20 . 2 2 4 4 GLU H H 1 7.57 0.03 . 1 . . . . . . . . 5631 2
21 . 2 2 4 4 GLU HA H 1 5.03 0.03 . 1 . . . . . . . . 5631 2
22 . 2 2 4 4 GLU HB2 H 1 1.63 0.03 . 1 . . . . . . . . 5631 2
23 . 2 2 4 4 GLU HB3 H 1 1.63 0.03 . 1 . . . . . . . . 5631 2
24 . 2 2 4 4 GLU HG2 H 1 1.48 0.03 . 2 . . . . . . . . 5631 2
25 . 2 2 4 4 GLU HG3 H 1 1.06 0.03 . 2 . . . . . . . . 5631 2
26 . 2 2 5 5 THR H H 1 8.81 0.03 . 1 . . . . . . . . 5631 2
27 . 2 2 5 5 THR HA H 1 4.62 0.03 . 1 . . . . . . . . 5631 2
28 . 2 2 5 5 THR HB H 1 3.64 0.03 . 1 . . . . . . . . 5631 2
29 . 2 2 5 5 THR HG21 H 1 1.27 0.03 . 1 . . . . . . . . 5631 2
30 . 2 2 5 5 THR HG22 H 1 1.27 0.03 . 1 . . . . . . . . 5631 2
31 . 2 2 5 5 THR HG23 H 1 1.27 0.03 . 1 . . . . . . . . 5631 2
32 . 2 2 6 6 TRP H H 1 8.96 0.03 . 1 . . . . . . . . 5631 2
33 . 2 2 6 6 TRP HA H 1 4.14 0.03 . 1 . . . . . . . . 5631 2
34 . 2 2 6 6 TRP HB2 H 1 2.89 0.03 . 2 . . . . . . . . 5631 2
35 . 2 2 6 6 TRP HB3 H 1 3.40 0.03 . 2 . . . . . . . . 5631 2
36 . 2 2 6 6 TRP HD1 H 1 7.24 0.03 . 1 . . . . . . . . 5631 2
37 . 2 2 6 6 TRP HE1 H 1 7.48 0.03 . 1 . . . . . . . . 5631 2
38 . 2 2 6 6 TRP HE3 H 1 7.43 0.03 . 1 . . . . . . . . 5631 2
39 . 2 2 6 6 TRP HZ2 H 1 7.14 0.03 . 1 . . . . . . . . 5631 2
40 . 2 2 6 6 TRP HZ3 H 1 6.61 0.03 . 1 . . . . . . . . 5631 2
41 . 2 2 6 6 TRP HH2 H 1 6.76 0.03 . 1 . . . . . . . . 5631 2
42 . 2 2 7 7 VAL H H 1 8.85 0.03 . 1 . . . . . . . . 5631 2
43 . 2 2 7 7 VAL HA H 1 4.26 0.03 . 1 . . . . . . . . 5631 2
44 . 2 2 7 7 VAL HB H 1 2.13 0.03 . 1 . . . . . . . . 5631 2
45 . 2 2 7 7 VAL HG11 H 1 0.68 0.03 . 1 . . . . . . . . 5631 2
46 . 2 2 7 7 VAL HG12 H 1 0.68 0.03 . 1 . . . . . . . . 5631 2
47 . 2 2 7 7 VAL HG13 H 1 0.68 0.03 . 1 . . . . . . . . 5631 2
48 . 2 2 7 7 VAL HG21 H 1 -0.02 0.03 . 1 . . . . . . . . 5631 2
49 . 2 2 7 7 VAL HG22 H 1 -0.02 0.03 . 1 . . . . . . . . 5631 2
50 . 2 2 7 7 VAL HG23 H 1 -0.02 0.03 . 1 . . . . . . . . 5631 2
stop_
save_