data_15776
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15776
_Entry.Title
;
Pfu Rpp21 structure and assignments
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2008-05-15
_Entry.Accession_date 2008-05-15
_Entry.Last_release_date 2008-11-14
_Entry.Original_release_date 2008-11-14
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.8.116
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Carlos Amero . D. . 15776
2 Mark Foster . P. . 15776
3 William Boomershine . P. . 15776
4 Yiren Xu . . . 15776
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
1 . 'The Ohio State University' . 15776
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
NMR . 15776
'Pfu Rpp21' . 15776
'RNase P' . 15776
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 15776
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 370 15776
'15N chemical shifts' 75 15776
'1H chemical shifts' 558 15776
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 . . 2008-11-14 2008-05-15 original author . 15776
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2K3R 'BMRB Entry Tracking System' 15776
stop_
save_
###############
# Citations #
###############
save_Pfu_Rpp21
_Citation.Sf_category citations
_Citation.Sf_framecode Pfu_Rpp21
_Citation.Entry_ID 15776
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 18922021
_Citation.Full_citation .
_Citation.Title 'Solution structure of Pyrococcus furiosus RPP21, a component of the archaeal RNase P holoenzyme, and interactions with its RPP29 protein partner'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev Biochemistry
_Citation.Journal_name_full .
_Citation.Journal_volume 47
_Citation.Journal_issue 45
_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 11704
_Citation.Page_last 11710
_Citation.Year 2008
_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 Carlos Amero . D. . 15776 1
2 William Boomershine . P. . 15776 1
3 Yiren Xu . . . 15776 1
4 Mark Foster . . . 15776 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
NMR 15776 1
'RNase P' 15776 1
Rpp21 15776 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 15776
_Assembly.ID 1
_Assembly.Name Rpp21-Zn
_Assembly.BMRB_code .
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds yes
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 Rpp21 1 $Rpp21 A . yes native no no . . . 15776 1
2 Zn 2 $ZN B . no native no no . . . 15776 1
stop_
loop_
_Bond.ID
_Bond.Type
_Bond.Value_order
_Bond.Assembly_atom_ID_1
_Bond.Entity_assembly_ID_1
_Bond.Entity_assembly_name_1
_Bond.Entity_ID_1
_Bond.Comp_ID_1
_Bond.Comp_index_ID_1
_Bond.Seq_ID_1
_Bond.Atom_ID_1
_Bond.Assembly_atom_ID_2
_Bond.Entity_assembly_ID_2
_Bond.Entity_assembly_name_2
_Bond.Entity_ID_2
_Bond.Comp_ID_2
_Bond.Comp_index_ID_2
_Bond.Seq_ID_2
_Bond.Atom_ID_2
_Bond.Auth_entity_assembly_ID_1
_Bond.Auth_entity_assembly_name_1
_Bond.Auth_seq_ID_1
_Bond.Auth_comp_ID_1
_Bond.Auth_atom_ID_1
_Bond.Auth_entity_assembly_ID_2
_Bond.Auth_entity_assembly_name_2
_Bond.Auth_seq_ID_2
_Bond.Auth_comp_ID_2
_Bond.Auth_atom_ID_2
_Bond.Entry_ID
_Bond.Assembly_ID
1 coordination single . 1 Rpp21 1 CYS 63 63 SG . 2 Zn 2 ZN 1 1 ZN . . 62 CYS SG . . . . ZN 15776 1
2 coordination single . 1 Rpp21 1 CYS 66 66 SG . 2 Zn 2 ZN 1 1 ZN . . 65 CYS SG . . . . ZN 15776 1
3 coordination single . 1 Rpp21 1 CYS 92 92 SG . 2 Zn 2 ZN 1 1 ZN . . 91 CYS SG . . . . ZN 15776 1
4 coordination single . 1 Rpp21 1 CYS 95 95 SG . 2 Zn 2 ZN 1 1 ZN . . 94 CYS SG . . . . ZN 15776 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_Rpp21
_Entity.Sf_category entity
_Entity.Sf_framecode Rpp21
_Entity.Entry_ID 15776
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name Rpp21
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MAKYNEKKEKKRIAKERIDI
LFSLAERVFPYSPELAKRYV
ELALLVQQKAKVKIPRKWKR
RYCKKCHAFLVPGINARVRL
RQKRMPHIVVKCLECGHIMR
YPYIKEIKKRRKEKMEYGGL
VPR
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID ZN
_Entity.Nonpolymer_comp_label $chem_comp_ZN
_Entity.Number_of_monomers 123
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all other bound'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-26
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2K3R . "Pfu Rpp21 Structure And Assignments" . . . . . 100.00 123 100.00 100.00 9.18e-80 . . . . 15776 1
2 no PDB 2KI7 . "The Solution Structure Of Rpp29-Rpp21 Complex From Pyrococcus Furiosus" . . . . . 100.00 123 100.00 100.00 9.18e-80 . . . . 15776 1
3 no GB AAL81737 . "hypothetical protein PF1613 [Pyrococcus furiosus DSM 3638]" . . . . . 95.12 117 100.00 100.00 8.55e-75 . . . . 15776 1
4 no GB AFN05027 . "ribonuclease P protein component 4 [Pyrococcus furiosus COM1]" . . . . . 95.12 117 100.00 100.00 8.55e-75 . . . . 15776 1
5 no REF WP_011012760 . "ribonuclease P [Pyrococcus furiosus]" . . . . . 95.12 117 100.00 100.00 8.55e-75 . . . . 15776 1
6 no SP Q8U0H6 . "RecName: Full=Ribonuclease P protein component 4; Short=RNase P component 4; AltName: Full=Rpp21" . . . . . 95.12 117 100.00 100.00 8.55e-75 . . . . 15776 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . MET . 15776 1
2 . ALA . 15776 1
3 . LYS . 15776 1
4 . TYR . 15776 1
5 . ASN . 15776 1
6 . GLU . 15776 1
7 . LYS . 15776 1
8 . LYS . 15776 1
9 . GLU . 15776 1
10 . LYS . 15776 1
11 . LYS . 15776 1
12 . ARG . 15776 1
13 . ILE . 15776 1
14 . ALA . 15776 1
15 . LYS . 15776 1
16 . GLU . 15776 1
17 . ARG . 15776 1
18 . ILE . 15776 1
19 . ASP . 15776 1
20 . ILE . 15776 1
21 . LEU . 15776 1
22 . PHE . 15776 1
23 . SER . 15776 1
24 . LEU . 15776 1
25 . ALA . 15776 1
26 . GLU . 15776 1
27 . ARG . 15776 1
28 . VAL . 15776 1
29 . PHE . 15776 1
30 . PRO . 15776 1
31 . TYR . 15776 1
32 . SER . 15776 1
33 . PRO . 15776 1
34 . GLU . 15776 1
35 . LEU . 15776 1
36 . ALA . 15776 1
37 . LYS . 15776 1
38 . ARG . 15776 1
39 . TYR . 15776 1
40 . VAL . 15776 1
41 . GLU . 15776 1
42 . LEU . 15776 1
43 . ALA . 15776 1
44 . LEU . 15776 1
45 . LEU . 15776 1
46 . VAL . 15776 1
47 . GLN . 15776 1
48 . GLN . 15776 1
49 . LYS . 15776 1
50 . ALA . 15776 1
51 . LYS . 15776 1
52 . VAL . 15776 1
53 . LYS . 15776 1
54 . ILE . 15776 1
55 . PRO . 15776 1
56 . ARG . 15776 1
57 . LYS . 15776 1
58 . TRP . 15776 1
59 . LYS . 15776 1
60 . ARG . 15776 1
61 . ARG . 15776 1
62 . TYR . 15776 1
63 . CYS . 15776 1
64 . LYS . 15776 1
65 . LYS . 15776 1
66 . CYS . 15776 1
67 . HIS . 15776 1
68 . ALA . 15776 1
69 . PHE . 15776 1
70 . LEU . 15776 1
71 . VAL . 15776 1
72 . PRO . 15776 1
73 . GLY . 15776 1
74 . ILE . 15776 1
75 . ASN . 15776 1
76 . ALA . 15776 1
77 . ARG . 15776 1
78 . VAL . 15776 1
79 . ARG . 15776 1
80 . LEU . 15776 1
81 . ARG . 15776 1
82 . GLN . 15776 1
83 . LYS . 15776 1
84 . ARG . 15776 1
85 . MET . 15776 1
86 . PRO . 15776 1
87 . HIS . 15776 1
88 . ILE . 15776 1
89 . VAL . 15776 1
90 . VAL . 15776 1
91 . LYS . 15776 1
92 . CYS . 15776 1
93 . LEU . 15776 1
94 . GLU . 15776 1
95 . CYS . 15776 1
96 . GLY . 15776 1
97 . HIS . 15776 1
98 . ILE . 15776 1
99 . MET . 15776 1
100 . ARG . 15776 1
101 . TYR . 15776 1
102 . PRO . 15776 1
103 . TYR . 15776 1
104 . ILE . 15776 1
105 . LYS . 15776 1
106 . GLU . 15776 1
107 . ILE . 15776 1
108 . LYS . 15776 1
109 . LYS . 15776 1
110 . ARG . 15776 1
111 . ARG . 15776 1
112 . LYS . 15776 1
113 . GLU . 15776 1
114 . LYS . 15776 1
115 . MET . 15776 1
116 . GLU . 15776 1
117 . TYR . 15776 1
118 . GLY . 15776 1
119 . GLY . 15776 1
120 . LEU . 15776 1
121 . VAL . 15776 1
122 . PRO . 15776 1
123 . ARG . 15776 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 15776 1
. ALA 2 2 15776 1
. LYS 3 3 15776 1
. TYR 4 4 15776 1
. ASN 5 5 15776 1
. GLU 6 6 15776 1
. LYS 7 7 15776 1
. LYS 8 8 15776 1
. GLU 9 9 15776 1
. LYS 10 10 15776 1
. LYS 11 11 15776 1
. ARG 12 12 15776 1
. ILE 13 13 15776 1
. ALA 14 14 15776 1
. LYS 15 15 15776 1
. GLU 16 16 15776 1
. ARG 17 17 15776 1
. ILE 18 18 15776 1
. ASP 19 19 15776 1
. ILE 20 20 15776 1
. LEU 21 21 15776 1
. PHE 22 22 15776 1
. SER 23 23 15776 1
. LEU 24 24 15776 1
. ALA 25 25 15776 1
. GLU 26 26 15776 1
. ARG 27 27 15776 1
. VAL 28 28 15776 1
. PHE 29 29 15776 1
. PRO 30 30 15776 1
. TYR 31 31 15776 1
. SER 32 32 15776 1
. PRO 33 33 15776 1
. GLU 34 34 15776 1
. LEU 35 35 15776 1
. ALA 36 36 15776 1
. LYS 37 37 15776 1
. ARG 38 38 15776 1
. TYR 39 39 15776 1
. VAL 40 40 15776 1
. GLU 41 41 15776 1
. LEU 42 42 15776 1
. ALA 43 43 15776 1
. LEU 44 44 15776 1
. LEU 45 45 15776 1
. VAL 46 46 15776 1
. GLN 47 47 15776 1
. GLN 48 48 15776 1
. LYS 49 49 15776 1
. ALA 50 50 15776 1
. LYS 51 51 15776 1
. VAL 52 52 15776 1
. LYS 53 53 15776 1
. ILE 54 54 15776 1
. PRO 55 55 15776 1
. ARG 56 56 15776 1
. LYS 57 57 15776 1
. TRP 58 58 15776 1
. LYS 59 59 15776 1
. ARG 60 60 15776 1
. ARG 61 61 15776 1
. TYR 62 62 15776 1
. CYS 63 63 15776 1
. LYS 64 64 15776 1
. LYS 65 65 15776 1
. CYS 66 66 15776 1
. HIS 67 67 15776 1
. ALA 68 68 15776 1
. PHE 69 69 15776 1
. LEU 70 70 15776 1
. VAL 71 71 15776 1
. PRO 72 72 15776 1
. GLY 73 73 15776 1
. ILE 74 74 15776 1
. ASN 75 75 15776 1
. ALA 76 76 15776 1
. ARG 77 77 15776 1
. VAL 78 78 15776 1
. ARG 79 79 15776 1
. LEU 80 80 15776 1
. ARG 81 81 15776 1
. GLN 82 82 15776 1
. LYS 83 83 15776 1
. ARG 84 84 15776 1
. MET 85 85 15776 1
. PRO 86 86 15776 1
. HIS 87 87 15776 1
. ILE 88 88 15776 1
. VAL 89 89 15776 1
. VAL 90 90 15776 1
. LYS 91 91 15776 1
. CYS 92 92 15776 1
. LEU 93 93 15776 1
. GLU 94 94 15776 1
. CYS 95 95 15776 1
. GLY 96 96 15776 1
. HIS 97 97 15776 1
. ILE 98 98 15776 1
. MET 99 99 15776 1
. ARG 100 100 15776 1
. TYR 101 101 15776 1
. PRO 102 102 15776 1
. TYR 103 103 15776 1
. ILE 104 104 15776 1
. LYS 105 105 15776 1
. GLU 106 106 15776 1
. ILE 107 107 15776 1
. LYS 108 108 15776 1
. LYS 109 109 15776 1
. ARG 110 110 15776 1
. ARG 111 111 15776 1
. LYS 112 112 15776 1
. GLU 113 113 15776 1
. LYS 114 114 15776 1
. MET 115 115 15776 1
. GLU 116 116 15776 1
. TYR 117 117 15776 1
. GLY 118 118 15776 1
. GLY 119 119 15776 1
. LEU 120 120 15776 1
. VAL 121 121 15776 1
. PRO 122 122 15776 1
. ARG 123 123 15776 1
stop_
save_
save_ZN
_Entity.Sf_category entity
_Entity.Sf_framecode ZN
_Entity.Entry_ID 15776
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name ZN
_Entity.Type non-polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type .
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code .
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer .
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID ZN
_Entity.Nonpolymer_comp_label $chem_comp_ZN
_Entity.Number_of_monomers .
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID 2
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . ZN . 15776 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 15776
_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 $Rpp21 . 2261 plasmid . 'Pyrococcus furiosus' 'Pyrococcus furiosus' . . Archaea . Pyrococcus furiosus . . . . . . . . . . . . . . . . . . . . . 15776 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 15776
_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 $Rpp21 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-33b . . . . . . 15776 1
stop_
save_
#################################
# Polymer residues and ligands #
#################################
save_chem_comp_ZN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ZN
_Chem_comp.Entry_ID 15776
_Chem_comp.ID ZN
_Chem_comp.Provenance .
_Chem_comp.Name 'ZINC ION'
_Chem_comp.Type non-polymer
_Chem_comp.BMRB_code .
_Chem_comp.PDB_code ZN
_Chem_comp.Ambiguous_flag .
_Chem_comp.Initial_date .
_Chem_comp.Modified_date .
_Chem_comp.Release_status .
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code .
_Chem_comp.Number_atoms_all .
_Chem_comp.Number_atoms_nh .
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code .
_Chem_comp.Mon_nstd_flag .
_Chem_comp.Mon_nstd_class .
_Chem_comp.Mon_nstd_details .
_Chem_comp.Mon_nstd_parent .
_Chem_comp.Mon_nstd_parent_comp_ID .
_Chem_comp.Std_deriv_one_letter_code .
_Chem_comp.Std_deriv_three_letter_code ZN
_Chem_comp.Std_deriv_BMRB_code .
_Chem_comp.Std_deriv_PDB_code .
_Chem_comp.Std_deriv_chem_comp_name .
_Chem_comp.Synonyms .
_Chem_comp.Formal_charge 2
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula Zn
_Chem_comp.Formula_weight 65.409
_Chem_comp.Formula_mono_iso_wt_nat .
_Chem_comp.Formula_mono_iso_wt_13C .
_Chem_comp.Formula_mono_iso_wt_15N .
_Chem_comp.Formula_mono_iso_wt_13C_15N .
_Chem_comp.Image_file_name .
_Chem_comp.Image_file_format .
_Chem_comp.Topo_file_name .
_Chem_comp.Topo_file_format .
_Chem_comp.Struct_file_name .
_Chem_comp.Struct_file_format .
_Chem_comp.Stereochem_param_file_name .
_Chem_comp.Stereochem_param_file_format .
_Chem_comp.Model_details .
_Chem_comp.Model_erf .
_Chem_comp.Model_source .
_Chem_comp.Model_coordinates_details .
_Chem_comp.Model_coordinates_missing_flag .
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag .
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site .
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Fri Feb 15 21:22:05 2008
;
_Chem_comp.DB_query_date .
_Chem_comp.DB_last_query_revised_last_date .
loop_
_Chem_comp_descriptor.Descriptor
_Chem_comp_descriptor.Type
_Chem_comp_descriptor.Program
_Chem_comp_descriptor.Program_version
_Chem_comp_descriptor.Entry_ID
_Chem_comp_descriptor.Comp_ID
InChI=1/Zn/q+2 InChI InChI 1.01 15776 ZN
[Zn++] SMILES CACTVS 3.341 15776 ZN
[Zn++] SMILES_CANONICAL CACTVS 3.341 15776 ZN
[Zn+2] SMILES ACDLabs 10.04 15776 ZN
[Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 15776 ZN
[Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15776 ZN
stop_
loop_
_Chem_comp_identifier.Identifier
_Chem_comp_identifier.Type
_Chem_comp_identifier.Program
_Chem_comp_identifier.Program_version
_Chem_comp_identifier.Entry_ID
_Chem_comp_identifier.Comp_ID
zinc 'SYSTEMATIC NAME' ACDLabs 10.04 15776 ZN
'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15776 ZN
stop_
loop_
_Chem_comp_atom.Atom_ID
_Chem_comp_atom.BMRB_code
_Chem_comp_atom.PDB_atom_ID
_Chem_comp_atom.Alt_atom_ID
_Chem_comp_atom.Auth_atom_ID
_Chem_comp_atom.Type_symbol
_Chem_comp_atom.Isotope_number
_Chem_comp_atom.Chirality
_Chem_comp_atom.Stereo_config
_Chem_comp_atom.Charge
_Chem_comp_atom.Partial_charge
_Chem_comp_atom.Oxidation_number
_Chem_comp_atom.Unpaired_electron_number
_Chem_comp_atom.Align
_Chem_comp_atom.Aromatic_flag
_Chem_comp_atom.Leaving_atom_flag
_Chem_comp_atom.Substruct_code
_Chem_comp_atom.Ionizable
_Chem_comp_atom.Drawing_2D_coord_x
_Chem_comp_atom.Drawing_2D_coord_y
_Chem_comp_atom.Model_Cartn_x
_Chem_comp_atom.Model_Cartn_x_esd
_Chem_comp_atom.Model_Cartn_y
_Chem_comp_atom.Model_Cartn_y_esd
_Chem_comp_atom.Model_Cartn_z
_Chem_comp_atom.Model_Cartn_z_esd
_Chem_comp_atom.Model_Cartn_x_ideal
_Chem_comp_atom.Model_Cartn_y_ideal
_Chem_comp_atom.Model_Cartn_z_ideal
_Chem_comp_atom.PDBX_ordinal
_Chem_comp_atom.Details
_Chem_comp_atom.Entry_ID
_Chem_comp_atom.Comp_ID
ZN . ZN . . ZN . N . 2 . . . . no no . . . . . . . . . . . . . . . 15776 ZN
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 15776
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details Rpp21
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 TRIS '[U-99% 2H]' . . 1 $Rpp21 . . 10 . . mM . . . . 15776 1
2 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15776 1
3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15776 1
4 Rpp21 '[U-100% 13C; U-100% 15N]' . . . . . . 1 . . mM . . . . 15776 1
5 'ZINC chloride' 'natural abundance' . . . . . . 0.3 . . mM . . . . 15776 1
6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15776 1
7 D2O . . . . . . . 10 . . % . . . . 15776 1
stop_
save_
save_sample_complex
_Sample.Sf_category sample
_Sample.Sf_framecode sample_complex
_Sample.Entry_ID 15776
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details 'Pfu Rpp21-Rpp29'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 TRIS '[U-99% 2H]' . . 1 $Rpp21 . . 10 . . mM . . . . 15776 2
2 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15776 2
3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15776 2
4 Rpp21 '[U-100% 13C; U-100% 15N]' . . . . . . 0.5 . . mM . . . . 15776 2
5 'ZINC chloride' 'natural abundance' . . . . . . 0.3 . . mM . . . . 15776 2
6 Rpp29 'natural abundance' . . . . . . 0.5 . . mM . . . . 15776 2
7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15776 2
8 D2O . . . . . . . 10 . . % . . . . 15776 2
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 15776
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details Rpp21
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '100% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 TRIS '[U-99% 2H]' . . 1 $Rpp21 . . 10 . . mM . . . . 15776 3
2 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15776 3
3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15776 3
4 Rpp21 '[U-100% 13C; U-100% 15N]' . . . . . . 1 . . mM . . . . 15776 3
5 'ZINC chloride' 'natural abundance' . . . . . . 0.3 . . mM . . . . 15776 3
6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15776 3
7 D2O . . . . . . . 10 . . % . . . . 15776 3
stop_
save_
save_sample_cobalt
_Sample.Sf_category sample
_Sample.Sf_framecode sample_cobalt
_Sample.Entry_ID 15776
_Sample.ID 4
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details 'cobalt-substituted Rpp21'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '100% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 TRIS '[U-99% 2H]' . . 1 $Rpp21 . . 10 . . mM . . . . 15776 4
2 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15776 4
3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15776 4
4 Rpp21 '[U-100% 13C; U-100% 15N]' . . . . . . 1 . . mM . . . . 15776 4
5 'cobalt chloride' 'natural abundance' . . . . . . 0.3 . . mM . . . . 15776 4
6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15776 4
7 D2O . . . . . . . 10 . . % . . . . 15776 4
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 15776
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 10 . mM 15776 1
pH 6.7 . pH 15776 1
pressure 1 . atm 15776 1
temperature 323 . K 15776 1
stop_
save_
############################
# Computer software used #
############################
save_X-PLOR_NIH
_Software.Sf_category software
_Software.Sf_framecode X-PLOR_NIH
_Software.Entry_ID 15776
_Software.ID 1
_Software.Name 'X-PLOR NIH'
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Schwieters, Kuszewski, Tjandra and Clore' . . 15776 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'geometry optimization' 15776 1
refinement 15776 1
'structure solution' 15776 1
stop_
save_
save_NMRView
_Software.Sf_category software
_Software.Sf_framecode NMRView
_Software.Entry_ID 15776
_Software.ID 2
_Software.Name NMRView
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Johnson, One Moon Scientific' . . 15776 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 15776 2
'structure solution' 15776 2
stop_
save_
save_CARA
_Software.Sf_category software
_Software.Sf_framecode CARA
_Software.Entry_ID 15776
_Software.ID 3
_Software.Name CARA
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Keller and Wuthrich' . . 15776 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 15776 3
'data analysis' 15776 3
'structure solution' 15776 3
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 15776
_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_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 15776
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DMX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 15776
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker DRX . 800 . . . 15776 1
2 spectrometer_2 Bruker DMX . 600 . . . 15776 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 15776
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15776 1
2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1
3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1
4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1
5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1
6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15776 1
7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15776 1
8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15776 1
9 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15776 1
10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1
11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1
12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1
13 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_complex isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15776 1
14 '3D HNCO' no . . . . . . . . . . 2 $sample_complex isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1
15 '3D HNCA' no . . . . . . . . . . 2 $sample_complex isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1
16 '3D HNCACB' no . . . . . . . . . . 2 $sample_complex isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1
17 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_complex isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1
18 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_cobalt isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15776 1
19 '3D HNCO' no . . . . . . . . . . 4 $sample_cobalt isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1
20 '3D HNCA' no . . . . . . . . . . 4 $sample_cobalt isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1
21 '3D HNCACB' no . . . . . . . . . . 4 $sample_cobalt isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15776 1
22 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $sample_cobalt isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15776 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 15776
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25144952 . . . 1 $Pfu_Rpp21 . . 1 $Pfu_Rpp21 15776 1
H 1 DSS 'methyl carbons' . . . . ppm 0 internal direct 1 . . . 1 $Pfu_Rpp21 . . 1 $Pfu_Rpp21 15776 1
N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10132905 . . . 1 $Pfu_Rpp21 . . 1 $Pfu_Rpp21 15776 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15776
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_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 '2D 1H-15N HSQC' . . . 15776 1
2 '3D HNCO' . . . 15776 1
3 '3D HNCA' . . . 15776 1
4 '3D HNCACB' . . . 15776 1
5 '3D CBCA(CO)NH' . . . 15776 1
6 '3D 1H-15N TOCSY' . . . 15776 1
10 '3D HBHA(CO)NH' . . . 15776 1
11 '3D HCCH-COSY' . . . 15776 1
12 '3D HCCH-TOCSY' . . . 15776 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $CARA . . 15776 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 18 18 ILE HA H 1 3.61 0.02 . 1 . . . . 18 ILE HA . 15776 1
2 . 1 1 18 18 ILE HB H 1 2.09 0.02 . 1 . . . . 18 ILE HB . 15776 1
3 . 1 1 18 18 ILE HD11 H 1 0.84 0.02 . 1 . . . . 18 ILE HD1 . 15776 1
4 . 1 1 18 18 ILE HD12 H 1 0.84 0.02 . 1 . . . . 18 ILE HD1 . 15776 1
5 . 1 1 18 18 ILE HD13 H 1 0.84 0.02 . 1 . . . . 18 ILE HD1 . 15776 1
6 . 1 1 18 18 ILE HG12 H 1 1.43 0.02 . 2 . . . . 18 ILE HG12 . 15776 1
7 . 1 1 18 18 ILE HG13 H 1 1.93 0.02 . 2 . . . . 18 ILE HG13 . 15776 1
8 . 1 1 18 18 ILE HG21 H 1 1.15 0.02 . 1 . . . . 18 ILE HG2 . 15776 1
9 . 1 1 18 18 ILE HG22 H 1 1.15 0.02 . 1 . . . . 18 ILE HG2 . 15776 1
10 . 1 1 18 18 ILE HG23 H 1 1.15 0.02 . 1 . . . . 18 ILE HG2 . 15776 1
11 . 1 1 18 18 ILE C C 13 176.8 0.3 . 1 . . . . 18 ILE C . 15776 1
12 . 1 1 18 18 ILE CA C 13 66.7 0.3 . 1 . . . . 18 ILE CA . 15776 1
13 . 1 1 18 18 ILE CB C 13 38.6 0.3 . 1 . . . . 18 ILE CB . 15776 1
14 . 1 1 18 18 ILE CD1 C 13 14.8 0.3 . 1 . . . . 18 ILE CD1 . 15776 1
15 . 1 1 18 18 ILE CG1 C 13 30.2 0.3 . 1 . . . . 18 ILE CG1 . 15776 1
16 . 1 1 18 18 ILE CG2 C 13 19.0 0.3 . 1 . . . . 18 ILE CG2 . 15776 1
17 . 1 1 19 19 ASP H H 1 8.05 0.02 . 1 . . . . 19 ASP H . 15776 1
18 . 1 1 19 19 ASP HA H 1 4.58 0.02 . 1 . . . . 19 ASP HA . 15776 1
19 . 1 1 19 19 ASP HB2 H 1 2.95 0.02 . 2 . . . . 19 ASP HB2 . 15776 1
20 . 1 1 19 19 ASP HB3 H 1 3.07 0.02 . 2 . . . . 19 ASP HB3 . 15776 1
21 . 1 1 19 19 ASP CA C 13 58.2 0.3 . 1 . . . . 19 ASP CA . 15776 1
22 . 1 1 19 19 ASP CB C 13 42.5 0.3 . 1 . . . . 19 ASP CB . 15776 1
23 . 1 1 19 19 ASP N N 15 119.1 0.3 . 1 . . . . 19 ASP N . 15776 1
24 . 1 1 20 20 ILE H H 1 8.24 0.02 . 1 . . . . 20 ILE H . 15776 1
25 . 1 1 20 20 ILE HA H 1 3.73 0.02 . 1 . . . . 20 ILE HA . 15776 1
26 . 1 1 20 20 ILE HB H 1 2.03 0.02 . 1 . . . . 20 ILE HB . 15776 1
27 . 1 1 20 20 ILE HD11 H 1 0.89 0.02 . 1 . . . . 20 ILE HD1 . 15776 1
28 . 1 1 20 20 ILE HD12 H 1 0.89 0.02 . 1 . . . . 20 ILE HD1 . 15776 1
29 . 1 1 20 20 ILE HD13 H 1 0.89 0.02 . 1 . . . . 20 ILE HD1 . 15776 1
30 . 1 1 20 20 ILE HG12 H 1 1.78 0.02 . 2 . . . . 20 ILE HG12 . 15776 1
31 . 1 1 20 20 ILE HG13 H 1 1.82 0.02 . 2 . . . . 20 ILE HG13 . 15776 1
32 . 1 1 20 20 ILE HG21 H 1 0.88 0.02 . 1 . . . . 20 ILE HG2 . 15776 1
33 . 1 1 20 20 ILE HG22 H 1 0.88 0.02 . 1 . . . . 20 ILE HG2 . 15776 1
34 . 1 1 20 20 ILE HG23 H 1 0.88 0.02 . 1 . . . . 20 ILE HG2 . 15776 1
35 . 1 1 20 20 ILE CA C 13 65.0 0.3 . 1 . . . . 20 ILE CA . 15776 1
36 . 1 1 20 20 ILE CB C 13 38.3 0.3 . 1 . . . . 20 ILE CB . 15776 1
37 . 1 1 20 20 ILE CD1 C 13 13.4 0.3 . 1 . . . . 20 ILE CD1 . 15776 1
38 . 1 1 20 20 ILE CG1 C 13 29.8 0.3 . 1 . . . . 20 ILE CG1 . 15776 1
39 . 1 1 20 20 ILE CG2 C 13 17.3 0.3 . 1 . . . . 20 ILE CG2 . 15776 1
40 . 1 1 20 20 ILE N N 15 120.4 0.3 . 1 . . . . 20 ILE N . 15776 1
41 . 1 1 21 21 LEU H H 1 7.87 0.02 . 1 . . . . 21 LEU H . 15776 1
42 . 1 1 21 21 LEU HA H 1 4.44 0.02 . 1 . . . . 21 LEU HA . 15776 1
43 . 1 1 21 21 LEU HB2 H 1 1.81 0.02 . 2 . . . . 21 LEU HB2 . 15776 1
44 . 1 1 21 21 LEU HB3 H 1 1.89 0.02 . 2 . . . . 21 LEU HB3 . 15776 1
45 . 1 1 21 21 LEU HD11 H 1 0.93 0.02 . 1 . . . . 21 LEU HD1 . 15776 1
46 . 1 1 21 21 LEU HD12 H 1 0.93 0.02 . 1 . . . . 21 LEU HD1 . 15776 1
47 . 1 1 21 21 LEU HD13 H 1 0.93 0.02 . 1 . . . . 21 LEU HD1 . 15776 1
48 . 1 1 21 21 LEU HG H 1 1.65 0.02 . 1 . . . . 21 LEU HG . 15776 1
49 . 1 1 21 21 LEU C C 13 178.7 0.3 . 1 . . . . 21 LEU C . 15776 1
50 . 1 1 21 21 LEU CA C 13 59.8 0.3 . 1 . . . . 21 LEU CA . 15776 1
51 . 1 1 21 21 LEU CB C 13 42.2 0.3 . 1 . . . . 21 LEU CB . 15776 1
52 . 1 1 21 21 LEU CD1 C 13 24.7 0.3 . 1 . . . . 21 LEU CD1 . 15776 1
53 . 1 1 21 21 LEU CG C 13 26.0 0.3 . 1 . . . . 21 LEU CG . 15776 1
54 . 1 1 21 21 LEU N N 15 121.1 0.3 . 1 . . . . 21 LEU N . 15776 1
55 . 1 1 22 22 PHE H H 1 7.82 0.02 . 1 . . . . 22 PHE H . 15776 1
56 . 1 1 22 22 PHE HA H 1 3.48 0.02 . 1 . . . . 22 PHE HA . 15776 1
57 . 1 1 22 22 PHE HB2 H 1 0.44 0.02 . 2 . . . . 22 PHE HB2 . 15776 1
58 . 1 1 22 22 PHE HB3 H 1 1.23 0.02 . 2 . . . . 22 PHE HB3 . 15776 1
59 . 1 1 22 22 PHE HD1 H 1 6.99 0.02 . 1 . . . . 22 PHE HD1 . 15776 1
60 . 1 1 22 22 PHE HD2 H 1 6.99 0.02 . 1 . . . . 22 PHE HD2 . 15776 1
61 . 1 1 22 22 PHE HE1 H 1 6.96 0.02 . 1 . . . . 22 PHE HE1 . 15776 1
62 . 1 1 22 22 PHE HE2 H 1 6.96 0.02 . 1 . . . . 22 PHE HE2 . 15776 1
63 . 1 1 22 22 PHE C C 13 177.3 0.3 . 1 . . . . 22 PHE C . 15776 1
64 . 1 1 22 22 PHE CA C 13 63.1 0.3 . 1 . . . . 22 PHE CA . 15776 1
65 . 1 1 22 22 PHE CB C 13 36.4 0.3 . 1 . . . . 22 PHE CB . 15776 1
66 . 1 1 22 22 PHE CD1 C 13 131.6 0.3 . 1 . . . . 22 PHE CD1 . 15776 1
67 . 1 1 22 22 PHE CD2 C 13 131.6 0.3 . 1 . . . . 22 PHE CD2 . 15776 1
68 . 1 1 22 22 PHE CE1 C 13 131.5 0.3 . 1 . . . . 22 PHE CE1 . 15776 1
69 . 1 1 22 22 PHE CE2 C 13 131.5 0.3 . 1 . . . . 22 PHE CE2 . 15776 1
70 . 1 1 22 22 PHE N N 15 116.9 0.3 . 1 . . . . 22 PHE N . 15776 1
71 . 1 1 23 23 SER H H 1 7.94 0.02 . 1 . . . . 23 SER H . 15776 1
72 . 1 1 23 23 SER HA H 1 4.52 0.02 . 1 . . . . 23 SER HA . 15776 1
73 . 1 1 23 23 SER HB2 H 1 3.76 0.02 . 2 . . . . 23 SER HB2 . 15776 1
74 . 1 1 23 23 SER HB3 H 1 4.25 0.02 . 2 . . . . 23 SER HB3 . 15776 1
75 . 1 1 23 23 SER C C 13 177.3 0.3 . 1 . . . . 23 SER C . 15776 1
76 . 1 1 23 23 SER CA C 13 63.5 0.3 . 1 . . . . 23 SER CA . 15776 1
77 . 1 1 23 23 SER CB C 13 62.9 0.3 . 1 . . . . 23 SER CB . 15776 1
78 . 1 1 23 23 SER N N 15 114.4 0.3 . 1 . . . . 23 SER N . 15776 1
79 . 1 1 24 24 LEU H H 1 8.05 0.02 . 1 . . . . 24 LEU H . 15776 1
80 . 1 1 24 24 LEU HA H 1 3.82 0.02 . 1 . . . . 24 LEU HA . 15776 1
81 . 1 1 24 24 LEU HB3 H 1 1.28 0.02 . 1 . . . . 24 LEU HB3 . 15776 1
82 . 1 1 24 24 LEU HD11 H 1 0.56 0.02 . 1 . . . . 24 LEU HD1 . 15776 1
83 . 1 1 24 24 LEU HD12 H 1 0.56 0.02 . 1 . . . . 24 LEU HD1 . 15776 1
84 . 1 1 24 24 LEU HD13 H 1 0.56 0.02 . 1 . . . . 24 LEU HD1 . 15776 1
85 . 1 1 24 24 LEU HD21 H 1 0.56 0.02 . 1 . . . . 24 LEU HD2 . 15776 1
86 . 1 1 24 24 LEU HD22 H 1 0.56 0.02 . 1 . . . . 24 LEU HD2 . 15776 1
87 . 1 1 24 24 LEU HD23 H 1 0.56 0.02 . 1 . . . . 24 LEU HD2 . 15776 1
88 . 1 1 24 24 LEU HG H 1 1.50 0.02 . 1 . . . . 24 LEU HG . 15776 1
89 . 1 1 24 24 LEU C C 13 178.2 0.3 . 1 . . . . 24 LEU C . 15776 1
90 . 1 1 24 24 LEU CA C 13 58.1 0.3 . 1 . . . . 24 LEU CA . 15776 1
91 . 1 1 24 24 LEU CB C 13 40.7 0.3 . 1 . . . . 24 LEU CB . 15776 1
92 . 1 1 24 24 LEU CD1 C 13 23.2 0.3 . 1 . . . . 24 LEU CD1 . 15776 1
93 . 1 1 24 24 LEU CD2 C 13 23.4 0.3 . 1 . . . . 24 LEU CD2 . 15776 1
94 . 1 1 24 24 LEU CG C 13 25.9 0.3 . 1 . . . . 24 LEU CG . 15776 1
95 . 1 1 24 24 LEU N N 15 124.7 0.3 . 1 . . . . 24 LEU N . 15776 1
96 . 1 1 25 25 ALA H H 1 7.59 0.02 . 1 . . . . 25 ALA H . 15776 1
97 . 1 1 25 25 ALA HA H 1 3.82 0.02 . 1 . . . . 25 ALA HA . 15776 1
98 . 1 1 25 25 ALA HB1 H 1 1.20 0.02 . 1 . . . . 25 ALA HB . 15776 1
99 . 1 1 25 25 ALA HB2 H 1 1.20 0.02 . 1 . . . . 25 ALA HB . 15776 1
100 . 1 1 25 25 ALA HB3 H 1 1.20 0.02 . 1 . . . . 25 ALA HB . 15776 1
101 . 1 1 25 25 ALA C C 13 177.7 0.3 . 1 . . . . 25 ALA C . 15776 1
102 . 1 1 25 25 ALA CA C 13 55.8 0.3 . 1 . . . . 25 ALA CA . 15776 1
103 . 1 1 25 25 ALA CB C 13 18.4 0.3 . 1 . . . . 25 ALA CB . 15776 1
104 . 1 1 25 25 ALA N N 15 122.4 0.3 . 1 . . . . 25 ALA N . 15776 1
105 . 1 1 26 26 GLU H H 1 7.69 0.02 . 1 . . . . 26 GLU H . 15776 1
106 . 1 1 26 26 GLU HA H 1 4.27 0.02 . 1 . . . . 26 GLU HA . 15776 1
107 . 1 1 26 26 GLU HB2 H 1 2.00 0.02 . 2 . . . . 26 GLU HB2 . 15776 1
108 . 1 1 26 26 GLU HB3 H 1 2.03 0.02 . 2 . . . . 26 GLU HB3 . 15776 1
109 . 1 1 26 26 GLU HG2 H 1 2.38 0.02 . 2 . . . . 26 GLU HG2 . 15776 1
110 . 1 1 26 26 GLU HG3 H 1 2.49 0.02 . 2 . . . . 26 GLU HG3 . 15776 1
111 . 1 1 26 26 GLU C C 13 178.6 0.3 . 1 . . . . 26 GLU C . 15776 1
112 . 1 1 26 26 GLU CA C 13 60.0 0.3 . 1 . . . . 26 GLU CA . 15776 1
113 . 1 1 26 26 GLU CB C 13 31.1 0.3 . 1 . . . . 26 GLU CB . 15776 1
114 . 1 1 26 26 GLU CG C 13 37.0 0.3 . 1 . . . . 26 GLU CG . 15776 1
115 . 1 1 26 26 GLU N N 15 116.0 0.3 . 1 . . . . 26 GLU N . 15776 1
116 . 1 1 27 27 ARG H H 1 7.67 0.02 . 1 . . . . 27 ARG H . 15776 1
117 . 1 1 27 27 ARG HA H 1 4.19 0.02 . 1 . . . . 27 ARG HA . 15776 1
118 . 1 1 27 27 ARG HB3 H 1 2.02 0.02 . 1 . . . . 27 ARG HB3 . 15776 1
119 . 1 1 27 27 ARG HD3 H 1 3.28 0.02 . 1 . . . . 27 ARG HD3 . 15776 1
120 . 1 1 27 27 ARG HG2 H 1 1.85 0.02 . 2 . . . . 27 ARG HG2 . 15776 1
121 . 1 1 27 27 ARG HG3 H 1 1.93 0.02 . 2 . . . . 27 ARG HG3 . 15776 1
122 . 1 1 27 27 ARG C C 13 178.4 0.3 . 1 . . . . 27 ARG C . 15776 1
123 . 1 1 27 27 ARG CA C 13 58.8 0.3 . 1 . . . . 27 ARG CA . 15776 1
124 . 1 1 27 27 ARG CB C 13 30.7 0.3 . 1 . . . . 27 ARG CB . 15776 1
125 . 1 1 27 27 ARG CD C 13 43.8 0.3 . 1 . . . . 27 ARG CD . 15776 1
126 . 1 1 27 27 ARG CG C 13 27.7 0.3 . 1 . . . . 27 ARG CG . 15776 1
127 . 1 1 27 27 ARG N N 15 116.7 0.3 . 1 . . . . 27 ARG N . 15776 1
128 . 1 1 28 28 VAL H H 1 8.23 0.02 . 1 . . . . 28 VAL H . 15776 1
129 . 1 1 28 28 VAL HA H 1 4.53 0.02 . 1 . . . . 28 VAL HA . 15776 1
130 . 1 1 28 28 VAL HB H 1 2.34 0.02 . 1 . . . . 28 VAL HB . 15776 1
131 . 1 1 28 28 VAL HG11 H 1 1.21 0.02 . 1 . . . . 28 VAL HG1 . 15776 1
132 . 1 1 28 28 VAL HG12 H 1 1.21 0.02 . 1 . . . . 28 VAL HG1 . 15776 1
133 . 1 1 28 28 VAL HG13 H 1 1.21 0.02 . 1 . . . . 28 VAL HG1 . 15776 1
134 . 1 1 28 28 VAL HG21 H 1 1.19 0.02 . 1 . . . . 28 VAL HG2 . 15776 1
135 . 1 1 28 28 VAL HG22 H 1 1.19 0.02 . 1 . . . . 28 VAL HG2 . 15776 1
136 . 1 1 28 28 VAL HG23 H 1 1.19 0.02 . 1 . . . . 28 VAL HG2 . 15776 1
137 . 1 1 28 28 VAL C C 13 176.5 0.3 . 1 . . . . 28 VAL C . 15776 1
138 . 1 1 28 28 VAL CA C 13 62.6 0.3 . 1 . . . . 28 VAL CA . 15776 1
139 . 1 1 28 28 VAL CB C 13 33.0 0.3 . 1 . . . . 28 VAL CB . 15776 1
140 . 1 1 28 28 VAL CG1 C 13 21.7 0.3 . 1 . . . . 28 VAL CG1 . 15776 1
141 . 1 1 28 28 VAL CG2 C 13 21.3 0.3 . 1 . . . . 28 VAL CG2 . 15776 1
142 . 1 1 28 28 VAL N N 15 112.6 0.3 . 1 . . . . 28 VAL N . 15776 1
143 . 1 1 29 29 PHE H H 1 8.02 0.02 . 1 . . . . 29 PHE H . 15776 1
144 . 1 1 29 29 PHE HA H 1 3.96 0.02 . 1 . . . . 29 PHE HA . 15776 1
145 . 1 1 29 29 PHE HB2 H 1 3.28 0.02 . 2 . . . . 29 PHE HB2 . 15776 1
146 . 1 1 29 29 PHE HB3 H 1 3.23 0.02 . 2 . . . . 29 PHE HB3 . 15776 1
147 . 1 1 29 29 PHE HD1 H 1 7.18 0.02 . 1 . . . . 29 PHE HD1 . 15776 1
148 . 1 1 29 29 PHE HD2 H 1 7.18 0.02 . 1 . . . . 29 PHE HD2 . 15776 1
149 . 1 1 29 29 PHE HE1 H 1 7.60 0.02 . 1 . . . . 29 PHE HE1 . 15776 1
150 . 1 1 29 29 PHE HE2 H 1 7.60 0.02 . 1 . . . . 29 PHE HE2 . 15776 1
151 . 1 1 29 29 PHE CA C 13 64.5 0.3 . 1 . . . . 29 PHE CA . 15776 1
152 . 1 1 29 29 PHE CB C 13 37.3 0.3 . 1 . . . . 29 PHE CB . 15776 1
153 . 1 1 29 29 PHE CD1 C 13 132.9 0.3 . 1 . . . . 29 PHE CD1 . 15776 1
154 . 1 1 29 29 PHE CD2 C 13 132.9 0.3 . 1 . . . . 29 PHE CD2 . 15776 1
155 . 1 1 29 29 PHE CE1 C 13 133.1 0.3 . 1 . . . . 29 PHE CE1 . 15776 1
156 . 1 1 29 29 PHE CE2 C 13 133.1 0.3 . 1 . . . . 29 PHE CE2 . 15776 1
157 . 1 1 29 29 PHE N N 15 124.6 0.3 . 1 . . . . 29 PHE N . 15776 1
158 . 1 1 30 30 PRO HA H 1 4.15 0.02 . 1 . . . . 30 PRO HA . 15776 1
159 . 1 1 30 30 PRO HB2 H 1 1.29 0.02 . 2 . . . . 30 PRO HB2 . 15776 1
160 . 1 1 30 30 PRO HB3 H 1 2.23 0.02 . 2 . . . . 30 PRO HB3 . 15776 1
161 . 1 1 30 30 PRO HD3 H 1 3.58 0.02 . 1 . . . . 30 PRO HD3 . 15776 1
162 . 1 1 30 30 PRO HG3 H 1 2.01 0.02 . 1 . . . . 30 PRO HG3 . 15776 1
163 . 1 1 30 30 PRO C C 13 176.6 0.3 . 1 . . . . 30 PRO C . 15776 1
164 . 1 1 30 30 PRO CA C 13 65.6 0.3 . 1 . . . . 30 PRO CA . 15776 1
165 . 1 1 30 30 PRO CB C 13 31.4 0.3 . 1 . . . . 30 PRO CB . 15776 1
166 . 1 1 30 30 PRO CD C 13 50.6 0.3 . 1 . . . . 30 PRO CD . 15776 1
167 . 1 1 30 30 PRO CG C 13 28.7 0.3 . 1 . . . . 30 PRO CG . 15776 1
168 . 1 1 31 31 TYR H H 1 7.54 0.02 . 1 . . . . 31 TYR H . 15776 1
169 . 1 1 31 31 TYR HA H 1 4.60 0.02 . 1 . . . . 31 TYR HA . 15776 1
170 . 1 1 31 31 TYR HB2 H 1 3.03 0.02 . 2 . . . . 31 TYR HB2 . 15776 1
171 . 1 1 31 31 TYR HB3 H 1 3.07 0.02 . 2 . . . . 31 TYR HB3 . 15776 1
172 . 1 1 31 31 TYR HD1 H 1 7.11 0.02 . 1 . . . . 31 TYR HD1 . 15776 1
173 . 1 1 31 31 TYR HD2 H 1 7.11 0.02 . 1 . . . . 31 TYR HD2 . 15776 1
174 . 1 1 31 31 TYR HE1 H 1 6.84 0.02 . 1 . . . . 31 TYR HE1 . 15776 1
175 . 1 1 31 31 TYR HE2 H 1 6.84 0.02 . 1 . . . . 31 TYR HE2 . 15776 1
176 . 1 1 31 31 TYR C C 13 176.5 0.3 . 1 . . . . 31 TYR C . 15776 1
177 . 1 1 31 31 TYR CA C 13 58.3 0.3 . 1 . . . . 31 TYR CA . 15776 1
178 . 1 1 31 31 TYR CB C 13 39.4 0.3 . 1 . . . . 31 TYR CB . 15776 1
179 . 1 1 31 31 TYR CD1 C 13 134.4 0.3 . 1 . . . . 31 TYR CD1 . 15776 1
180 . 1 1 31 31 TYR CD2 C 13 134.4 0.3 . 1 . . . . 31 TYR CD2 . 15776 1
181 . 1 1 31 31 TYR CE1 C 13 119.1 0.3 . 1 . . . . 31 TYR CE1 . 15776 1
182 . 1 1 31 31 TYR CE2 C 13 119.1 0.3 . 1 . . . . 31 TYR CE2 . 15776 1
183 . 1 1 31 31 TYR N N 15 113.5 0.3 . 1 . . . . 31 TYR N . 15776 1
184 . 1 1 32 32 SER H H 1 8.21 0.02 . 1 . . . . 32 SER H . 15776 1
185 . 1 1 32 32 SER HA H 1 4.77 0.02 . 1 . . . . 32 SER HA . 15776 1
186 . 1 1 32 32 SER HB2 H 1 3.70 0.02 . 2 . . . . 32 SER HB2 . 15776 1
187 . 1 1 32 32 SER HB3 H 1 3.87 0.02 . 2 . . . . 32 SER HB3 . 15776 1
188 . 1 1 32 32 SER CA C 13 55.7 0.3 . 1 . . . . 32 SER CA . 15776 1
189 . 1 1 32 32 SER CB C 13 63.2 0.3 . 1 . . . . 32 SER CB . 15776 1
190 . 1 1 32 32 SER N N 15 111.7 0.3 . 1 . . . . 32 SER N . 15776 1
191 . 1 1 33 33 PRO HA H 1 4.25 0.02 . 1 . . . . 33 PRO HA . 15776 1
192 . 1 1 33 33 PRO HB2 H 1 2.33 0.02 . 1 . . . . 33 PRO HB2 . 15776 1
193 . 1 1 33 33 PRO HD3 H 1 3.84 0.02 . 1 . . . . 33 PRO HD3 . 15776 1
194 . 1 1 33 33 PRO HG3 H 1 2.01 0.02 . 1 . . . . 33 PRO HG3 . 15776 1
195 . 1 1 33 33 PRO C C 13 179.0 0.3 . 1 . . . . 33 PRO C . 15776 1
196 . 1 1 33 33 PRO CA C 13 65.4 0.3 . 1 . . . . 33 PRO CA . 15776 1
197 . 1 1 33 33 PRO CB C 13 33.0 0.3 . 1 . . . . 33 PRO CB . 15776 1
198 . 1 1 33 33 PRO CD C 13 50.7 0.3 . 1 . . . . 33 PRO CD . 15776 1
199 . 1 1 33 33 PRO CG C 13 31.4 0.3 . 1 . . . . 33 PRO CG . 15776 1
200 . 1 1 34 34 GLU H H 1 8.39 0.02 . 1 . . . . 34 GLU H . 15776 1
201 . 1 1 34 34 GLU HA H 1 4.13 0.02 . 1 . . . . 34 GLU HA . 15776 1
202 . 1 1 34 34 GLU HB3 H 1 1.99 0.02 . 1 . . . . 34 GLU HB3 . 15776 1
203 . 1 1 34 34 GLU HG2 H 1 2.32 0.02 . 1 . . . . 34 GLU HG2 . 15776 1
204 . 1 1 34 34 GLU C C 13 178.7 0.3 . 1 . . . . 34 GLU C . 15776 1
205 . 1 1 34 34 GLU CA C 13 59.9 0.3 . 1 . . . . 34 GLU CA . 15776 1
206 . 1 1 34 34 GLU CB C 13 30.0 0.3 . 1 . . . . 34 GLU CB . 15776 1
207 . 1 1 34 34 GLU CG C 13 36.6 0.3 . 1 . . . . 34 GLU CG . 15776 1
208 . 1 1 34 34 GLU N N 15 118.5 0.3 . 1 . . . . 34 GLU N . 15776 1
209 . 1 1 35 35 LEU H H 1 7.97 0.02 . 1 . . . . 35 LEU H . 15776 1
210 . 1 1 35 35 LEU HA H 1 4.07 0.02 . 1 . . . . 35 LEU HA . 15776 1
211 . 1 1 35 35 LEU HB2 H 1 1.64 0.02 . 2 . . . . 35 LEU HB2 . 15776 1
212 . 1 1 35 35 LEU HB3 H 1 1.75 0.02 . 2 . . . . 35 LEU HB3 . 15776 1
213 . 1 1 35 35 LEU HD11 H 1 0.92 0.02 . 1 . . . . 35 LEU HD1 . 15776 1
214 . 1 1 35 35 LEU HD12 H 1 0.92 0.02 . 1 . . . . 35 LEU HD1 . 15776 1
215 . 1 1 35 35 LEU HD13 H 1 0.92 0.02 . 1 . . . . 35 LEU HD1 . 15776 1
216 . 1 1 35 35 LEU HG H 1 1.73 0.02 . 1 . . . . 35 LEU HG . 15776 1
217 . 1 1 35 35 LEU CA C 13 57.4 0.3 . 1 . . . . 35 LEU CA . 15776 1
218 . 1 1 35 35 LEU CB C 13 42.2 0.3 . 1 . . . . 35 LEU CB . 15776 1
219 . 1 1 35 35 LEU CD1 C 13 24.8 0.3 . 1 . . . . 35 LEU CD1 . 15776 1
220 . 1 1 35 35 LEU CG C 13 27.4 0.3 . 1 . . . . 35 LEU CG . 15776 1
221 . 1 1 35 35 LEU N N 15 122.0 0.3 . 1 . . . . 35 LEU N . 15776 1
222 . 1 1 36 36 ALA H H 1 7.86 0.02 . 1 . . . . 36 ALA H . 15776 1
223 . 1 1 36 36 ALA HA H 1 4.04 0.02 . 1 . . . . 36 ALA HA . 15776 1
224 . 1 1 36 36 ALA HB1 H 1 1.82 0.02 . 1 . . . . 36 ALA HB . 15776 1
225 . 1 1 36 36 ALA HB2 H 1 1.82 0.02 . 1 . . . . 36 ALA HB . 15776 1
226 . 1 1 36 36 ALA HB3 H 1 1.82 0.02 . 1 . . . . 36 ALA HB . 15776 1
227 . 1 1 36 36 ALA C C 13 178.6 0.3 . 1 . . . . 36 ALA C . 15776 1
228 . 1 1 36 36 ALA CA C 13 56.4 0.3 . 1 . . . . 36 ALA CA . 15776 1
229 . 1 1 36 36 ALA CB C 13 19.5 0.3 . 1 . . . . 36 ALA CB . 15776 1
230 . 1 1 36 36 ALA N N 15 121.0 0.3 . 1 . . . . 36 ALA N . 15776 1
231 . 1 1 37 37 LYS H H 1 7.91 0.02 . 1 . . . . 37 LYS H . 15776 1
232 . 1 1 37 37 LYS HA H 1 4.30 0.02 . 1 . . . . 37 LYS HA . 15776 1
233 . 1 1 37 37 LYS HB3 H 1 2.24 0.02 . 1 . . . . 37 LYS HB3 . 15776 1
234 . 1 1 37 37 LYS HD2 H 1 1.79 0.02 . 1 . . . . 37 LYS HD2 . 15776 1
235 . 1 1 37 37 LYS HE3 H 1 3.08 0.02 . 1 . . . . 37 LYS HE3 . 15776 1
236 . 1 1 37 37 LYS HG3 H 1 1.43 0.02 . 1 . . . . 37 LYS HG3 . 15776 1
237 . 1 1 37 37 LYS C C 13 177.8 0.3 . 1 . . . . 37 LYS C . 15776 1
238 . 1 1 37 37 LYS CA C 13 59.7 0.3 . 1 . . . . 37 LYS CA . 15776 1
239 . 1 1 37 37 LYS CB C 13 32.4 0.3 . 1 . . . . 37 LYS CB . 15776 1
240 . 1 1 37 37 LYS CD C 13 29.5 0.3 . 1 . . . . 37 LYS CD . 15776 1
241 . 1 1 37 37 LYS CE C 13 42.6 0.3 . 1 . . . . 37 LYS CE . 15776 1
242 . 1 1 37 37 LYS CG C 13 25.0 0.3 . 1 . . . . 37 LYS CG . 15776 1
243 . 1 1 37 37 LYS N N 15 117.7 0.3 . 1 . . . . 37 LYS N . 15776 1
244 . 1 1 38 38 ARG H H 1 7.64 0.02 . 1 . . . . 38 ARG H . 15776 1
245 . 1 1 38 38 ARG HA H 1 4.09 0.02 . 1 . . . . 38 ARG HA . 15776 1
246 . 1 1 38 38 ARG HB2 H 1 1.89 0.02 . 2 . . . . 38 ARG HB2 . 15776 1
247 . 1 1 38 38 ARG HB3 H 1 1.99 0.02 . 2 . . . . 38 ARG HB3 . 15776 1
248 . 1 1 38 38 ARG HD2 H 1 3.12 0.02 . 2 . . . . 38 ARG HD2 . 15776 1
249 . 1 1 38 38 ARG HD3 H 1 3.14 0.02 . 2 . . . . 38 ARG HD3 . 15776 1
250 . 1 1 38 38 ARG HG3 H 1 1.71 0.02 . 1 . . . . 38 ARG HG3 . 15776 1
251 . 1 1 38 38 ARG C C 13 179.6 0.3 . 1 . . . . 38 ARG C . 15776 1
252 . 1 1 38 38 ARG CA C 13 59.3 0.3 . 1 . . . . 38 ARG CA . 15776 1
253 . 1 1 38 38 ARG CB C 13 30.0 0.3 . 1 . . . . 38 ARG CB . 15776 1
254 . 1 1 38 38 ARG CD C 13 43.6 0.3 . 1 . . . . 38 ARG CD . 15776 1
255 . 1 1 38 38 ARG CG C 13 24.5 0.3 . 1 . . . . 38 ARG CG . 15776 1
256 . 1 1 38 38 ARG N N 15 118.2 0.3 . 1 . . . . 38 ARG N . 15776 1
257 . 1 1 39 39 TYR H H 1 7.86 0.02 . 1 . . . . 39 TYR H . 15776 1
258 . 1 1 39 39 TYR HA H 1 4.29 0.02 . 1 . . . . 39 TYR HA . 15776 1
259 . 1 1 39 39 TYR HB3 H 1 1.90 0.02 . 1 . . . . 39 TYR HB3 . 15776 1
260 . 1 1 39 39 TYR HD1 H 1 6.92 0.02 . 1 . . . . 39 TYR HD1 . 15776 1
261 . 1 1 39 39 TYR HD2 H 1 6.92 0.02 . 1 . . . . 39 TYR HD2 . 15776 1
262 . 1 1 39 39 TYR HE1 H 1 6.60 0.02 . 1 . . . . 39 TYR HE1 . 15776 1
263 . 1 1 39 39 TYR HE2 H 1 6.60 0.02 . 1 . . . . 39 TYR HE2 . 15776 1
264 . 1 1 39 39 TYR C C 13 177.8 0.3 . 1 . . . . 39 TYR C . 15776 1
265 . 1 1 39 39 TYR CA C 13 62.5 0.3 . 1 . . . . 39 TYR CA . 15776 1
266 . 1 1 39 39 TYR CB C 13 38.3 0.3 . 1 . . . . 39 TYR CB . 15776 1
267 . 1 1 39 39 TYR CD1 C 13 133.0 0.3 . 1 . . . . 39 TYR CD1 . 15776 1
268 . 1 1 39 39 TYR CD2 C 13 133.0 0.3 . 1 . . . . 39 TYR CD2 . 15776 1
269 . 1 1 39 39 TYR CE1 C 13 118.7 0.3 . 1 . . . . 39 TYR CE1 . 15776 1
270 . 1 1 39 39 TYR CE2 C 13 118.7 0.3 . 1 . . . . 39 TYR CE2 . 15776 1
271 . 1 1 39 39 TYR N N 15 119.2 0.3 . 1 . . . . 39 TYR N . 15776 1
272 . 1 1 40 40 VAL H H 1 7.96 0.02 . 1 . . . . 40 VAL H . 15776 1
273 . 1 1 40 40 VAL HA H 1 2.75 0.02 . 1 . . . . 40 VAL HA . 15776 1
274 . 1 1 40 40 VAL HB H 1 2.73 0.02 . 1 . . . . 40 VAL HB . 15776 1
275 . 1 1 40 40 VAL HG11 H 1 1.10 0.02 . 1 . . . . 40 VAL HG1 . 15776 1
276 . 1 1 40 40 VAL HG12 H 1 1.10 0.02 . 1 . . . . 40 VAL HG1 . 15776 1
277 . 1 1 40 40 VAL HG13 H 1 1.10 0.02 . 1 . . . . 40 VAL HG1 . 15776 1
278 . 1 1 40 40 VAL HG21 H 1 0.66 0.02 . 1 . . . . 40 VAL HG2 . 15776 1
279 . 1 1 40 40 VAL HG22 H 1 0.66 0.02 . 1 . . . . 40 VAL HG2 . 15776 1
280 . 1 1 40 40 VAL HG23 H 1 0.66 0.02 . 1 . . . . 40 VAL HG2 . 15776 1
281 . 1 1 40 40 VAL C C 13 177.8 0.3 . 1 . . . . 40 VAL C . 15776 1
282 . 1 1 40 40 VAL CA C 13 67.3 0.3 . 1 . . . . 40 VAL CA . 15776 1
283 . 1 1 40 40 VAL CB C 13 31.4 0.3 . 1 . . . . 40 VAL CB . 15776 1
284 . 1 1 40 40 VAL CG1 C 13 23.3 0.3 . 1 . . . . 40 VAL CG1 . 15776 1
285 . 1 1 40 40 VAL CG2 C 13 22.0 0.3 . 1 . . . . 40 VAL CG2 . 15776 1
286 . 1 1 40 40 VAL N N 15 120.8 0.3 . 1 . . . . 40 VAL N . 15776 1
287 . 1 1 41 41 GLU H H 1 8.66 0.02 . 1 . . . . 41 GLU H . 15776 1
288 . 1 1 41 41 GLU HA H 1 3.68 0.02 . 1 . . . . 41 GLU HA . 15776 1
289 . 1 1 41 41 GLU HB3 H 1 2.22 0.02 . 1 . . . . 41 GLU HB3 . 15776 1
290 . 1 1 41 41 GLU HG3 H 1 2.64 0.02 . 1 . . . . 41 GLU HG3 . 15776 1
291 . 1 1 41 41 GLU C C 13 179.9 0.3 . 1 . . . . 41 GLU C . 15776 1
292 . 1 1 41 41 GLU CA C 13 60.5 0.3 . 1 . . . . 41 GLU CA . 15776 1
293 . 1 1 41 41 GLU CB C 13 29.4 0.3 . 1 . . . . 41 GLU CB . 15776 1
294 . 1 1 41 41 GLU CG C 13 38.3 0.3 . 1 . . . . 41 GLU CG . 15776 1
295 . 1 1 41 41 GLU N N 15 117.0 0.3 . 1 . . . . 41 GLU N . 15776 1
296 . 1 1 42 42 LEU H H 1 7.96 0.02 . 1 . . . . 42 LEU H . 15776 1
297 . 1 1 42 42 LEU HA H 1 4.13 0.02 . 1 . . . . 42 LEU HA . 15776 1
298 . 1 1 42 42 LEU HB3 H 1 1.90 0.02 . 1 . . . . 42 LEU HB3 . 15776 1
299 . 1 1 42 42 LEU HD11 H 1 0.94 0.02 . 1 . . . . 42 LEU HD1 . 15776 1
300 . 1 1 42 42 LEU HD12 H 1 0.94 0.02 . 1 . . . . 42 LEU HD1 . 15776 1
301 . 1 1 42 42 LEU HD13 H 1 0.94 0.02 . 1 . . . . 42 LEU HD1 . 15776 1
302 . 1 1 42 42 LEU HD21 H 1 0.87 0.02 . 1 . . . . 42 LEU HD2 . 15776 1
303 . 1 1 42 42 LEU HD22 H 1 0.87 0.02 . 1 . . . . 42 LEU HD2 . 15776 1
304 . 1 1 42 42 LEU HD23 H 1 0.87 0.02 . 1 . . . . 42 LEU HD2 . 15776 1
305 . 1 1 42 42 LEU HG H 1 1.74 0.02 . 1 . . . . 42 LEU HG . 15776 1
306 . 1 1 42 42 LEU C C 13 178.3 0.3 . 1 . . . . 42 LEU C . 15776 1
307 . 1 1 42 42 LEU CA C 13 58.0 0.3 . 1 . . . . 42 LEU CA . 15776 1
308 . 1 1 42 42 LEU CB C 13 42.3 0.3 . 1 . . . . 42 LEU CB . 15776 1
309 . 1 1 42 42 LEU CD1 C 13 24.7 0.3 . 1 . . . . 42 LEU CD1 . 15776 1
310 . 1 1 42 42 LEU CD2 C 13 24.1 0.3 . 1 . . . . 42 LEU CD2 . 15776 1
311 . 1 1 42 42 LEU CG C 13 27.5 0.3 . 1 . . . . 42 LEU CG . 15776 1
312 . 1 1 42 42 LEU N N 15 120.3 0.3 . 1 . . . . 42 LEU N . 15776 1
313 . 1 1 43 43 ALA H H 1 8.04 0.02 . 1 . . . . 43 ALA H . 15776 1
314 . 1 1 43 43 ALA HA H 1 3.74 0.02 . 1 . . . . 43 ALA HA . 15776 1
315 . 1 1 43 43 ALA HB1 H 1 1.14 0.02 . 1 . . . . 43 ALA HB . 15776 1
316 . 1 1 43 43 ALA HB2 H 1 1.14 0.02 . 1 . . . . 43 ALA HB . 15776 1
317 . 1 1 43 43 ALA HB3 H 1 1.14 0.02 . 1 . . . . 43 ALA HB . 15776 1
318 . 1 1 43 43 ALA C C 13 179.4 0.3 . 1 . . . . 43 ALA C . 15776 1
319 . 1 1 43 43 ALA CA C 13 55.7 0.3 . 1 . . . . 43 ALA CA . 15776 1
320 . 1 1 43 43 ALA CB C 13 18.5 0.3 . 1 . . . . 43 ALA CB . 15776 1
321 . 1 1 43 43 ALA N N 15 123.6 0.3 . 1 . . . . 43 ALA N . 15776 1
322 . 1 1 44 44 LEU H H 1 8.34 0.02 . 1 . . . . 44 LEU H . 15776 1
323 . 1 1 44 44 LEU HA H 1 4.07 0.02 . 1 . . . . 44 LEU HA . 15776 1
324 . 1 1 44 44 LEU HB2 H 1 1.35 0.02 . 2 . . . . 44 LEU HB2 . 15776 1
325 . 1 1 44 44 LEU HB3 H 1 1.68 0.02 . 2 . . . . 44 LEU HB3 . 15776 1
326 . 1 1 44 44 LEU HD11 H 1 0.50 0.02 . 1 . . . . 44 LEU HD1 . 15776 1
327 . 1 1 44 44 LEU HD12 H 1 0.50 0.02 . 1 . . . . 44 LEU HD1 . 15776 1
328 . 1 1 44 44 LEU HD13 H 1 0.50 0.02 . 1 . . . . 44 LEU HD1 . 15776 1
329 . 1 1 44 44 LEU HD21 H 1 0.26 0.02 . 1 . . . . 44 LEU HD2 . 15776 1
330 . 1 1 44 44 LEU HD22 H 1 0.26 0.02 . 1 . . . . 44 LEU HD2 . 15776 1
331 . 1 1 44 44 LEU HD23 H 1 0.26 0.02 . 1 . . . . 44 LEU HD2 . 15776 1
332 . 1 1 44 44 LEU HG H 1 1.63 0.02 . 1 . . . . 44 LEU HG . 15776 1
333 . 1 1 44 44 LEU C C 13 180.0 0.3 . 1 . . . . 44 LEU C . 15776 1
334 . 1 1 44 44 LEU CA C 13 57.5 0.3 . 1 . . . . 44 LEU CA . 15776 1
335 . 1 1 44 44 LEU CB C 13 40.8 0.3 . 1 . . . . 44 LEU CB . 15776 1
336 . 1 1 44 44 LEU CD1 C 13 21.3 0.3 . 1 . . . . 44 LEU CD1 . 15776 1
337 . 1 1 44 44 LEU CD2 C 13 24.8 0.3 . 1 . . . . 44 LEU CD2 . 15776 1
338 . 1 1 44 44 LEU CG C 13 27.0 0.3 . 1 . . . . 44 LEU CG . 15776 1
339 . 1 1 44 44 LEU N N 15 116.8 0.3 . 1 . . . . 44 LEU N . 15776 1
340 . 1 1 45 45 LEU H H 1 7.86 0.02 . 1 . . . . 45 LEU H . 15776 1
341 . 1 1 45 45 LEU HA H 1 4.17 0.02 . 1 . . . . 45 LEU HA . 15776 1
342 . 1 1 45 45 LEU HB2 H 1 1.89 0.02 . 2 . . . . 45 LEU HB2 . 15776 1
343 . 1 1 45 45 LEU HB3 H 1 1.81 0.02 . 2 . . . . 45 LEU HB3 . 15776 1
344 . 1 1 45 45 LEU HD11 H 1 0.87 0.02 . 1 . . . . 45 LEU HD1 . 15776 1
345 . 1 1 45 45 LEU HD12 H 1 0.87 0.02 . 1 . . . . 45 LEU HD1 . 15776 1
346 . 1 1 45 45 LEU HD13 H 1 0.87 0.02 . 1 . . . . 45 LEU HD1 . 15776 1
347 . 1 1 45 45 LEU HD21 H 1 0.922 0.02 . 1 . . . . 45 LEU HD2 . 15776 1
348 . 1 1 45 45 LEU HD22 H 1 0.922 0.02 . 1 . . . . 45 LEU HD2 . 15776 1
349 . 1 1 45 45 LEU HD23 H 1 0.922 0.02 . 1 . . . . 45 LEU HD2 . 15776 1
350 . 1 1 45 45 LEU HG H 1 1.71 0.02 . 1 . . . . 45 LEU HG . 15776 1
351 . 1 1 45 45 LEU C C 13 179.6 0.3 . 1 . . . . 45 LEU C . 15776 1
352 . 1 1 45 45 LEU CA C 13 58.4 0.3 . 1 . . . . 45 LEU CA . 15776 1
353 . 1 1 45 45 LEU CB C 13 42.2 0.3 . 1 . . . . 45 LEU CB . 15776 1
354 . 1 1 45 45 LEU CD1 C 13 24.17 0.3 . 1 . . . . 45 LEU CD1 . 15776 1
355 . 1 1 45 45 LEU CD2 C 13 24.47 0.3 . 1 . . . . 45 LEU CD2 . 15776 1
356 . 1 1 45 45 LEU CG C 13 27.22 0.3 . 1 . . . . 45 LEU CG . 15776 1
357 . 1 1 45 45 LEU N N 15 122.6 0.3 . 1 . . . . 45 LEU N . 15776 1
358 . 1 1 46 46 VAL H H 1 8.07 0.02 . 1 . . . . 46 VAL H . 15776 1
359 . 1 1 46 46 VAL HA H 1 3.61 0.02 . 1 . . . . 46 VAL HA . 15776 1
360 . 1 1 46 46 VAL HB H 1 2.21 0.02 . 1 . . . . 46 VAL HB . 15776 1
361 . 1 1 46 46 VAL HG11 H 1 1.02 0.02 . 1 . . . . 46 VAL HG1 . 15776 1
362 . 1 1 46 46 VAL HG12 H 1 1.02 0.02 . 1 . . . . 46 VAL HG1 . 15776 1
363 . 1 1 46 46 VAL HG13 H 1 1.02 0.02 . 1 . . . . 46 VAL HG1 . 15776 1
364 . 1 1 46 46 VAL HG21 H 1 0.92 0.02 . 1 . . . . 46 VAL HG2 . 15776 1
365 . 1 1 46 46 VAL HG22 H 1 0.92 0.02 . 1 . . . . 46 VAL HG2 . 15776 1
366 . 1 1 46 46 VAL HG23 H 1 0.92 0.02 . 1 . . . . 46 VAL HG2 . 15776 1
367 . 1 1 46 46 VAL CA C 13 66.8 0.3 . 1 . . . . 46 VAL CA . 15776 1
368 . 1 1 46 46 VAL CB C 13 31.6 0.3 . 1 . . . . 46 VAL CB . 15776 1
369 . 1 1 46 46 VAL CG1 C 13 23.0 0.3 . 1 . . . . 46 VAL CG1 . 15776 1
370 . 1 1 46 46 VAL N N 15 120.1 0.3 . 1 . . . . 46 VAL N . 15776 1
371 . 1 1 47 47 GLN H H 1 8.36 0.02 . 1 . . . . 47 GLN H . 15776 1
372 . 1 1 47 47 GLN HA H 1 3.86 0.02 . 1 . . . . 47 GLN HA . 15776 1
373 . 1 1 47 47 GLN HB3 H 1 1.94 0.02 . 1 . . . . 47 GLN HB3 . 15776 1
374 . 1 1 47 47 GLN HE21 H 1 7.60 0.02 . 1 . . . . 47 GLN HE21 . 15776 1
375 . 1 1 47 47 GLN HE22 H 1 6.57 0.02 . 1 . . . . 47 GLN HE22 . 15776 1
376 . 1 1 47 47 GLN HG2 H 1 2.47 0.02 . 2 . . . . 47 GLN HG2 . 15776 1
377 . 1 1 47 47 GLN HG3 H 1 2.50 0.02 . 2 . . . . 47 GLN HG3 . 15776 1
378 . 1 1 47 47 GLN C C 13 178.0 0.3 . 1 . . . . 47 GLN C . 15776 1
379 . 1 1 47 47 GLN CA C 13 60.2 0.3 . 1 . . . . 47 GLN CA . 15776 1
380 . 1 1 47 47 GLN CB C 13 27.8 0.3 . 1 . . . . 47 GLN CB . 15776 1
381 . 1 1 47 47 GLN CG C 13 33.0 0.3 . 1 . . . . 47 GLN CG . 15776 1
382 . 1 1 47 47 GLN N N 15 120.0 0.3 . 1 . . . . 47 GLN N . 15776 1
383 . 1 1 47 47 GLN NE2 N 15 109.0 0.3 . 1 . . . . 47 GLN NE2 . 15776 1
384 . 1 1 48 48 GLN H H 1 8.11 0.02 . 1 . . . . 48 GLN H . 15776 1
385 . 1 1 48 48 GLN HA H 1 4.08 0.02 . 1 . . . . 48 GLN HA . 15776 1
386 . 1 1 48 48 GLN HB2 H 1 2.23 0.02 . 2 . . . . 48 GLN HB2 . 15776 1
387 . 1 1 48 48 GLN HB3 H 1 2.27 0.02 . 2 . . . . 48 GLN HB3 . 15776 1
388 . 1 1 48 48 GLN HE21 H 1 7.33 0.02 . 1 . . . . 48 GLN HE21 . 15776 1
389 . 1 1 48 48 GLN HE22 H 1 6.79 0.02 . 1 . . . . 48 GLN HE22 . 15776 1
390 . 1 1 48 48 GLN HG2 H 1 2.48 0.02 . 2 . . . . 48 GLN HG2 . 15776 1
391 . 1 1 48 48 GLN HG3 H 1 2.64 0.02 . 2 . . . . 48 GLN HG3 . 15776 1
392 . 1 1 48 48 GLN C C 13 178.5 0.3 . 1 . . . . 48 GLN C . 15776 1
393 . 1 1 48 48 GLN CA C 13 58.9 0.3 . 1 . . . . 48 GLN CA . 15776 1
394 . 1 1 48 48 GLN CB C 13 29.4 0.3 . 1 . . . . 48 GLN CB . 15776 1
395 . 1 1 48 48 GLN CG C 13 34.5 0.3 . 1 . . . . 48 GLN CG . 15776 1
396 . 1 1 48 48 GLN N N 15 117.6 0.3 . 1 . . . . 48 GLN N . 15776 1
397 . 1 1 48 48 GLN NE2 N 15 110.8 0.3 . 1 . . . . 48 GLN NE2 . 15776 1
398 . 1 1 49 49 LYS H H 1 8.11 0.02 . 1 . . . . 49 LYS H . 15776 1
399 . 1 1 49 49 LYS HA H 1 4.19 0.02 . 1 . . . . 49 LYS HA . 15776 1
400 . 1 1 49 49 LYS HB3 H 1 1.95 0.02 . 1 . . . . 49 LYS HB3 . 15776 1
401 . 1 1 49 49 LYS HD3 H 1 1.73 0.02 . 1 . . . . 49 LYS HD3 . 15776 1
402 . 1 1 49 49 LYS HE2 H 1 3.23 0.02 . 2 . . . . 49 LYS HE2 . 15776 1
403 . 1 1 49 49 LYS HE3 H 1 3.29 0.02 . 2 . . . . 49 LYS HE3 . 15776 1
404 . 1 1 49 49 LYS HG3 H 1 1.49 0.02 . 1 . . . . 49 LYS HG3 . 15776 1
405 . 1 1 49 49 LYS C C 13 177.8 0.3 . 1 . . . . 49 LYS C . 15776 1
406 . 1 1 49 49 LYS CA C 13 58.6 0.3 . 1 . . . . 49 LYS CA . 15776 1
407 . 1 1 49 49 LYS CB C 13 33.0 0.3 . 1 . . . . 49 LYS CB . 15776 1
408 . 1 1 49 49 LYS CD C 13 28.0 0.3 . 1 . . . . 49 LYS CD . 15776 1
409 . 1 1 49 49 LYS CE C 13 44.0 0.3 . 1 . . . . 49 LYS CE . 15776 1
410 . 1 1 49 49 LYS CG C 13 25.4 0.3 . 1 . . . . 49 LYS CG . 15776 1
411 . 1 1 49 49 LYS N N 15 118.1 0.3 . 1 . . . . 49 LYS N . 15776 1
412 . 1 1 50 50 ALA H H 1 8.24 0.02 . 1 . . . . 50 ALA H . 15776 1
413 . 1 1 50 50 ALA HA H 1 4.46 0.02 . 1 . . . . 50 ALA HA . 15776 1
414 . 1 1 50 50 ALA HB1 H 1 1.55 0.02 . 1 . . . . 50 ALA HB . 15776 1
415 . 1 1 50 50 ALA HB2 H 1 1.55 0.02 . 1 . . . . 50 ALA HB . 15776 1
416 . 1 1 50 50 ALA HB3 H 1 1.55 0.02 . 1 . . . . 50 ALA HB . 15776 1
417 . 1 1 50 50 ALA C C 13 176.7 0.3 . 1 . . . . 50 ALA C . 15776 1
418 . 1 1 50 50 ALA CA C 13 52.7 0.3 . 1 . . . . 50 ALA CA . 15776 1
419 . 1 1 50 50 ALA CB C 13 21.1 0.3 . 1 . . . . 50 ALA CB . 15776 1
420 . 1 1 50 50 ALA N N 15 119.0 0.3 . 1 . . . . 50 ALA N . 15776 1
421 . 1 1 51 51 LYS H H 1 8.00 0.02 . 1 . . . . 51 LYS H . 15776 1
422 . 1 1 51 51 LYS HA H 1 4.03 0.02 . 1 . . . . 51 LYS HA . 15776 1
423 . 1 1 51 51 LYS HB2 H 1 1.94 0.02 . 2 . . . . 51 LYS HB2 . 15776 1
424 . 1 1 51 51 LYS HB3 H 1 2.05 0.02 . 2 . . . . 51 LYS HB3 . 15776 1
425 . 1 1 51 51 LYS HD3 H 1 1.75 0.02 . 1 . . . . 51 LYS HD3 . 15776 1
426 . 1 1 51 51 LYS HE2 H 1 3.03 0.02 . 2 . . . . 51 LYS HE2 . 15776 1
427 . 1 1 51 51 LYS HE3 H 1 3.07 0.02 . 2 . . . . 51 LYS HE3 . 15776 1
428 . 1 1 51 51 LYS HG3 H 1 1.42 0.02 . 1 . . . . 51 LYS HG3 . 15776 1
429 . 1 1 51 51 LYS C C 13 175.8 0.3 . 1 . . . . 51 LYS C . 15776 1
430 . 1 1 51 51 LYS CA C 13 57.5 0.3 . 1 . . . . 51 LYS CA . 15776 1
431 . 1 1 51 51 LYS CB C 13 29.5 0.3 . 1 . . . . 51 LYS CB . 15776 1
432 . 1 1 51 51 LYS CD C 13 29.8 0.3 . 1 . . . . 51 LYS CD . 15776 1
433 . 1 1 51 51 LYS CE C 13 42.9 0.3 . 1 . . . . 51 LYS CE . 15776 1
434 . 1 1 51 51 LYS CG C 13 25.2 0.3 . 1 . . . . 51 LYS CG . 15776 1
435 . 1 1 51 51 LYS N N 15 114.5 0.3 . 1 . . . . 51 LYS N . 15776 1
436 . 1 1 52 52 VAL H H 1 7.00 0.02 . 1 . . . . 52 VAL H . 15776 1
437 . 1 1 52 52 VAL HA H 1 4.57 0.02 . 1 . . . . 52 VAL HA . 15776 1
438 . 1 1 52 52 VAL HB H 1 2.30 0.02 . 1 . . . . 52 VAL HB . 15776 1
439 . 1 1 52 52 VAL HG11 H 1 1.01 0.02 . 1 . . . . 52 VAL HG1 . 15776 1
440 . 1 1 52 52 VAL HG12 H 1 1.01 0.02 . 1 . . . . 52 VAL HG1 . 15776 1
441 . 1 1 52 52 VAL HG13 H 1 1.01 0.02 . 1 . . . . 52 VAL HG1 . 15776 1
442 . 1 1 52 52 VAL HG21 H 1 0.88 0.02 . 1 . . . . 52 VAL HG2 . 15776 1
443 . 1 1 52 52 VAL HG22 H 1 0.88 0.02 . 1 . . . . 52 VAL HG2 . 15776 1
444 . 1 1 52 52 VAL HG23 H 1 0.88 0.02 . 1 . . . . 52 VAL HG2 . 15776 1
445 . 1 1 52 52 VAL C C 13 175.0 0.3 . 1 . . . . 52 VAL C . 15776 1
446 . 1 1 52 52 VAL CA C 13 59.6 0.3 . 1 . . . . 52 VAL CA . 15776 1
447 . 1 1 52 52 VAL CB C 13 34.9 0.3 . 1 . . . . 52 VAL CB . 15776 1
448 . 1 1 52 52 VAL CG1 C 13 22.0 0.3 . 1 . . . . 52 VAL CG1 . 15776 1
449 . 1 1 52 52 VAL CG2 C 13 20.1 0.3 . 1 . . . . 52 VAL CG2 . 15776 1
450 . 1 1 52 52 VAL N N 15 111.6 0.3 . 1 . . . . 52 VAL N . 15776 1
451 . 1 1 53 53 LYS H H 1 8.15 0.02 . 1 . . . . 53 LYS H . 15776 1
452 . 1 1 53 53 LYS HA H 1 4.51 0.02 . 1 . . . . 53 LYS HA . 15776 1
453 . 1 1 53 53 LYS HB2 H 1 1.74 0.02 . 1 . . . . 53 LYS HB2 . 15776 1
454 . 1 1 53 53 LYS C C 13 176.8 0.3 . 1 . . . . 53 LYS C . 15776 1
455 . 1 1 53 53 LYS CA C 13 55.7 0.3 . 1 . . . . 53 LYS CA . 15776 1
456 . 1 1 53 53 LYS CB C 13 34.0 0.3 . 1 . . . . 53 LYS CB . 15776 1
457 . 1 1 53 53 LYS N N 15 120.8 0.3 . 1 . . . . 53 LYS N . 15776 1
458 . 1 1 54 54 ILE H H 1 8.37 0.02 . 1 . . . . 54 ILE H . 15776 1
459 . 1 1 54 54 ILE HA H 1 4.53 0.02 . 1 . . . . 54 ILE HA . 15776 1
460 . 1 1 54 54 ILE HB H 1 2.01 0.02 . 1 . . . . 54 ILE HB . 15776 1
461 . 1 1 54 54 ILE HD11 H 1 0.94 0.02 . 1 . . . . 54 ILE HD1 . 15776 1
462 . 1 1 54 54 ILE HD12 H 1 0.94 0.02 . 1 . . . . 54 ILE HD1 . 15776 1
463 . 1 1 54 54 ILE HD13 H 1 0.94 0.02 . 1 . . . . 54 ILE HD1 . 15776 1
464 . 1 1 54 54 ILE HG12 H 1 1.30 0.02 . 2 . . . . 54 ILE HG12 . 15776 1
465 . 1 1 54 54 ILE HG13 H 1 1.61 0.02 . 2 . . . . 54 ILE HG13 . 15776 1
466 . 1 1 54 54 ILE HG21 H 1 1.25 0.02 . 1 . . . . 54 ILE HG2 . 15776 1
467 . 1 1 54 54 ILE HG22 H 1 1.25 0.02 . 1 . . . . 54 ILE HG2 . 15776 1
468 . 1 1 54 54 ILE HG23 H 1 1.25 0.02 . 1 . . . . 54 ILE HG2 . 15776 1
469 . 1 1 54 54 ILE CA C 13 58.7 0.3 . 1 . . . . 54 ILE CA . 15776 1
470 . 1 1 54 54 ILE CB C 13 38.4 0.3 . 1 . . . . 54 ILE CB . 15776 1
471 . 1 1 54 54 ILE CD1 C 13 12.3 0.3 . 1 . . . . 54 ILE CD1 . 15776 1
472 . 1 1 54 54 ILE CG1 C 13 27.7 0.3 . 1 . . . . 54 ILE CG1 . 15776 1
473 . 1 1 54 54 ILE CG2 C 13 17.4 0.3 . 1 . . . . 54 ILE CG2 . 15776 1
474 . 1 1 54 54 ILE N N 15 122.5 0.3 . 1 . . . . 54 ILE N . 15776 1
475 . 1 1 57 57 LYS HA H 1 3.78 0.02 . 1 . . . . 57 LYS HA . 15776 1
476 . 1 1 57 57 LYS HB2 H 1 0.91 0.02 . 2 . . . . 57 LYS HB2 . 15776 1
477 . 1 1 57 57 LYS HB3 H 1 1.46 0.02 . 2 . . . . 57 LYS HB3 . 15776 1
478 . 1 1 57 57 LYS HD2 H 1 1.18 0.02 . 2 . . . . 57 LYS HD2 . 15776 1
479 . 1 1 57 57 LYS HD3 H 1 1.25 0.02 . 2 . . . . 57 LYS HD3 . 15776 1
480 . 1 1 57 57 LYS HE2 H 1 2.25 0.02 . 2 . . . . 57 LYS HE2 . 15776 1
481 . 1 1 57 57 LYS HE3 H 1 2.52 0.02 . 2 . . . . 57 LYS HE3 . 15776 1
482 . 1 1 57 57 LYS HG2 H 1 0.12 0.02 . 2 . . . . 57 LYS HG2 . 15776 1
483 . 1 1 57 57 LYS HG3 H 1 0.18 0.02 . 2 . . . . 57 LYS HG3 . 15776 1
484 . 1 1 57 57 LYS C C 13 176.3 0.3 . 1 . . . . 57 LYS C . 15776 1
485 . 1 1 57 57 LYS CA C 13 59.0 0.3 . 1 . . . . 57 LYS CA . 15776 1
486 . 1 1 57 57 LYS CB C 13 32.3 0.3 . 1 . . . . 57 LYS CB . 15776 1
487 . 1 1 57 57 LYS CD C 13 29.7 0.3 . 1 . . . . 57 LYS CD . 15776 1
488 . 1 1 57 57 LYS CE C 13 41.9 0.3 . 1 . . . . 57 LYS CE . 15776 1
489 . 1 1 57 57 LYS CG C 13 23.7 0.3 . 1 . . . . 57 LYS CG . 15776 1
490 . 1 1 58 58 TRP H H 1 7.25 0.02 . 1 . . . . 58 TRP H . 15776 1
491 . 1 1 58 58 TRP HA H 1 4.85 0.02 . 1 . . . . 58 TRP HA . 15776 1
492 . 1 1 58 58 TRP HB2 H 1 1.94 0.02 . 2 . . . . 58 TRP HB2 . 15776 1
493 . 1 1 58 58 TRP HB3 H 1 1.99 0.02 . 2 . . . . 58 TRP HB3 . 15776 1
494 . 1 1 58 58 TRP HD1 H 1 6.60 0.02 . 1 . . . . 58 TRP HD1 . 15776 1
495 . 1 1 58 58 TRP HE1 H 1 11.24 0.02 . 1 . . . . 58 TRP HE1 . 15776 1
496 . 1 1 58 58 TRP HE3 H 1 6.65 0.02 . 1 . . . . 58 TRP HE3 . 15776 1
497 . 1 1 58 58 TRP HH2 H 1 7.41 0.02 . 1 . . . . 58 TRP HH2 . 15776 1
498 . 1 1 58 58 TRP HZ2 H 1 7.59 0.02 . 1 . . . . 58 TRP HZ2 . 15776 1
499 . 1 1 58 58 TRP HZ3 H 1 7.27 0.02 . 1 . . . . 58 TRP HZ3 . 15776 1
500 . 1 1 58 58 TRP C C 13 176.8 0.3 . 1 . . . . 58 TRP C . 15776 1
501 . 1 1 58 58 TRP CA C 13 55.4 0.3 . 1 . . . . 58 TRP CA . 15776 1
502 . 1 1 58 58 TRP CB C 13 31.3 0.3 . 1 . . . . 58 TRP CB . 15776 1
503 . 1 1 58 58 TRP CD1 C 13 129.7 0.3 . 1 . . . . 58 TRP CD1 . 15776 1
504 . 1 1 58 58 TRP CE3 C 13 125.9 0.3 . 1 . . . . 58 TRP CE3 . 15776 1
505 . 1 1 58 58 TRP CH2 C 13 126.2 0.3 . 1 . . . . 58 TRP CH2 . 15776 1
506 . 1 1 58 58 TRP CZ2 C 13 116.5 0.3 . 1 . . . . 58 TRP CZ2 . 15776 1
507 . 1 1 58 58 TRP CZ3 C 13 119.1 0.3 . 1 . . . . 58 TRP CZ3 . 15776 1
508 . 1 1 58 58 TRP N N 15 116.3 0.3 . 1 . . . . 58 TRP N . 15776 1
509 . 1 1 58 58 TRP NE1 N 15 130.5 0.3 . 1 . . . . 58 TRP NE1 . 15776 1
510 . 1 1 59 59 LYS H H 1 7.31 0.02 . 1 . . . . 59 LYS H . 15776 1
511 . 1 1 59 59 LYS HA H 1 3.96 0.02 . 1 . . . . 59 LYS HA . 15776 1
512 . 1 1 59 59 LYS HB2 H 1 1.82 0.02 . 2 . . . . 59 LYS HB2 . 15776 1
513 . 1 1 59 59 LYS HB3 H 1 1.86 0.02 . 2 . . . . 59 LYS HB3 . 15776 1
514 . 1 1 59 59 LYS HD3 H 1 1.72 0.02 . 1 . . . . 59 LYS HD3 . 15776 1
515 . 1 1 59 59 LYS HE3 H 1 3.04 0.02 . 1 . . . . 59 LYS HE3 . 15776 1
516 . 1 1 59 59 LYS HG3 H 1 1.46 0.02 . 1 . . . . 59 LYS HG3 . 15776 1
517 . 1 1 59 59 LYS CA C 13 60.6 0.3 . 1 . . . . 59 LYS CA . 15776 1
518 . 1 1 59 59 LYS CB C 13 33.5 0.3 . 1 . . . . 59 LYS CB . 15776 1
519 . 1 1 59 59 LYS CD C 13 29.7 0.3 . 1 . . . . 59 LYS CD . 15776 1
520 . 1 1 59 59 LYS CE C 13 42.6 0.3 . 1 . . . . 59 LYS CE . 15776 1
521 . 1 1 59 59 LYS CG C 13 25.5 0.3 . 1 . . . . 59 LYS CG . 15776 1
522 . 1 1 59 59 LYS N N 15 118.6 0.3 . 1 . . . . 59 LYS N . 15776 1
523 . 1 1 60 60 ARG HA H 1 4.54 0.02 . 1 . . . . 60 ARG HA . 15776 1
524 . 1 1 60 60 ARG HB2 H 1 1.85 0.02 . 1 . . . . 60 ARG HB2 . 15776 1
525 . 1 1 60 60 ARG HD3 H 1 3.18 0.02 . 1 . . . . 60 ARG HD3 . 15776 1
526 . 1 1 60 60 ARG HG2 H 1 1.56 0.02 . 2 . . . . 60 ARG HG2 . 15776 1
527 . 1 1 60 60 ARG HG3 H 1 1.44 0.02 . 2 . . . . 60 ARG HG3 . 15776 1
528 . 1 1 60 60 ARG C C 13 177.2 0.3 . 1 . . . . 60 ARG C . 15776 1
529 . 1 1 60 60 ARG CA C 13 55.4 0.3 . 1 . . . . 60 ARG CA . 15776 1
530 . 1 1 60 60 ARG CB C 13 30.4 0.3 . 1 . . . . 60 ARG CB . 15776 1
531 . 1 1 60 60 ARG CD C 13 43.9 0.3 . 1 . . . . 60 ARG CD . 15776 1
532 . 1 1 60 60 ARG CG C 13 27.6 0.3 . 1 . . . . 60 ARG CG . 15776 1
533 . 1 1 61 61 ARG H H 1 7.62 0.02 . 1 . . . . 61 ARG H . 15776 1
534 . 1 1 61 61 ARG HA H 1 4.25 0.02 . 1 . . . . 61 ARG HA . 15776 1
535 . 1 1 61 61 ARG HB2 H 1 1.93 0.02 . 2 . . . . 61 ARG HB2 . 15776 1
536 . 1 1 61 61 ARG HB3 H 1 2.05 0.02 . 2 . . . . 61 ARG HB3 . 15776 1
537 . 1 1 61 61 ARG C C 13 172.3 0.3 . 1 . . . . 61 ARG C . 15776 1
538 . 1 1 61 61 ARG CA C 13 54.4 0.3 . 1 . . . . 61 ARG CA . 15776 1
539 . 1 1 61 61 ARG CB C 13 27.9 0.3 . 1 . . . . 61 ARG CB . 15776 1
540 . 1 1 61 61 ARG CD C 13 41.6 0.3 . 1 . . . . 61 ARG CD . 15776 1
541 . 1 1 61 61 ARG N N 15 116.0 0.3 . 1 . . . . 61 ARG N . 15776 1
542 . 1 1 62 62 TYR H H 1 6.98 0.02 . 1 . . . . 62 TYR H . 15776 1
543 . 1 1 62 62 TYR HA H 1 5.86 0.02 . 1 . . . . 62 TYR HA . 15776 1
544 . 1 1 62 62 TYR HB2 H 1 2.99 0.02 . 2 . . . . 62 TYR HB2 . 15776 1
545 . 1 1 62 62 TYR HB3 H 1 3.08 0.02 . 2 . . . . 62 TYR HB3 . 15776 1
546 . 1 1 62 62 TYR HD1 H 1 7.07 0.02 . 1 . . . . 62 TYR HD1 . 15776 1
547 . 1 1 62 62 TYR HD2 H 1 7.07 0.02 . 1 . . . . 62 TYR HD2 . 15776 1
548 . 1 1 62 62 TYR HE1 H 1 6.80 0.02 . 1 . . . . 62 TYR HE1 . 15776 1
549 . 1 1 62 62 TYR HE2 H 1 6.80 0.02 . 1 . . . . 62 TYR HE2 . 15776 1
550 . 1 1 62 62 TYR C C 13 173.1 0.3 . 1 . . . . 62 TYR C . 15776 1
551 . 1 1 62 62 TYR CA C 13 55.0 0.3 . 1 . . . . 62 TYR CA . 15776 1
552 . 1 1 62 62 TYR CB C 13 43.0 0.3 . 1 . . . . 62 TYR CB . 15776 1
553 . 1 1 62 62 TYR CD1 C 13 134.5 0.3 . 1 . . . . 62 TYR CD1 . 15776 1
554 . 1 1 62 62 TYR CD2 C 13 134.5 0.3 . 1 . . . . 62 TYR CD2 . 15776 1
555 . 1 1 62 62 TYR CE1 C 13 119.1 0.3 . 1 . . . . 62 TYR CE1 . 15776 1
556 . 1 1 62 62 TYR CE2 C 13 119.1 0.3 . 1 . . . . 62 TYR CE2 . 15776 1
557 . 1 1 62 62 TYR N N 15 112.3 0.3 . 1 . . . . 62 TYR N . 15776 1
558 . 1 1 63 63 CYS H H 1 9.22 0.02 . 1 . . . . 63 CYS H . 15776 1
559 . 1 1 63 63 CYS HA H 1 4.28 0.02 . 1 . . . . 63 CYS HA . 15776 1
560 . 1 1 63 63 CYS HB2 H 1 3.03 0.02 . 2 . . . . 63 CYS HB2 . 15776 1
561 . 1 1 63 63 CYS HB3 H 1 3.45 0.02 . 2 . . . . 63 CYS HB3 . 15776 1
562 . 1 1 63 63 CYS C C 13 178.0 0.3 . 1 . . . . 63 CYS C . 15776 1
563 . 1 1 63 63 CYS CA C 13 59.9 0.3 . 1 . . . . 63 CYS CA . 15776 1
564 . 1 1 63 63 CYS CB C 13 32.3 0.3 . 1 . . . . 63 CYS CB . 15776 1
565 . 1 1 63 63 CYS N N 15 124.1 0.3 . 1 . . . . 63 CYS N . 15776 1
566 . 1 1 64 64 LYS H H 1 7.82 0.02 . 1 . . . . 64 LYS H . 15776 1
567 . 1 1 64 64 LYS HA H 1 4.24 0.02 . 1 . . . . 64 LYS HA . 15776 1
568 . 1 1 64 64 LYS HB3 H 1 1.81 0.02 . 1 . . . . 64 LYS HB3 . 15776 1
569 . 1 1 64 64 LYS HE3 H 1 3.18 0.02 . 1 . . . . 64 LYS HE3 . 15776 1
570 . 1 1 64 64 LYS HG2 H 1 1.46 0.02 . 1 . . . . 64 LYS HG2 . 15776 1
571 . 1 1 64 64 LYS C C 13 175.4 0.3 . 1 . . . . 64 LYS C . 15776 1
572 . 1 1 64 64 LYS CA C 13 59.5 0.3 . 1 . . . . 64 LYS CA . 15776 1
573 . 1 1 64 64 LYS CB C 13 33.6 0.3 . 1 . . . . 64 LYS CB . 15776 1
574 . 1 1 64 64 LYS CD C 13 29.6 0.3 . 1 . . . . 64 LYS CD . 15776 1
575 . 1 1 64 64 LYS CE C 13 43.9 0.3 . 1 . . . . 64 LYS CE . 15776 1
576 . 1 1 64 64 LYS CG C 13 27.1 0.3 . 1 . . . . 64 LYS CG . 15776 1
577 . 1 1 64 64 LYS N N 15 129.3 0.3 . 1 . . . . 64 LYS N . 15776 1
578 . 1 1 65 65 LYS H H 1 9.27 0.02 . 1 . . . . 65 LYS H . 15776 1
579 . 1 1 65 65 LYS HA H 1 4.25 0.02 . 1 . . . . 65 LYS HA . 15776 1
580 . 1 1 65 65 LYS HB2 H 1 0.62 0.02 . 2 . . . . 65 LYS HB2 . 15776 1
581 . 1 1 65 65 LYS HB3 H 1 1.82 0.02 . 2 . . . . 65 LYS HB3 . 15776 1
582 . 1 1 65 65 LYS HD2 H 1 1.50 0.02 . 2 . . . . 65 LYS HD2 . 15776 1
583 . 1 1 65 65 LYS HD3 H 1 1.66 0.02 . 2 . . . . 65 LYS HD3 . 15776 1
584 . 1 1 65 65 LYS HE3 H 1 2.93 0.02 . 1 . . . . 65 LYS HE3 . 15776 1
585 . 1 1 65 65 LYS HG3 H 1 0.94 0.02 . 1 . . . . 65 LYS HG3 . 15776 1
586 . 1 1 65 65 LYS C C 13 176.3 0.3 . 1 . . . . 65 LYS C . 15776 1
587 . 1 1 65 65 LYS CA C 13 58.5 0.3 . 1 . . . . 65 LYS CA . 15776 1
588 . 1 1 65 65 LYS CB C 13 33.7 0.3 . 1 . . . . 65 LYS CB . 15776 1
589 . 1 1 65 65 LYS CD C 13 29.2 0.3 . 1 . . . . 65 LYS CD . 15776 1
590 . 1 1 65 65 LYS CE C 13 42.8 0.3 . 1 . . . . 65 LYS CE . 15776 1
591 . 1 1 65 65 LYS CG C 13 25.2 0.3 . 1 . . . . 65 LYS CG . 15776 1
592 . 1 1 65 65 LYS N N 15 122.5 0.3 . 1 . . . . 65 LYS N . 15776 1
593 . 1 1 66 66 CYS H H 1 9.19 0.02 . 1 . . . . 66 CYS H . 15776 1
594 . 1 1 66 66 CYS HA H 1 4.56 0.02 . 1 . . . . 66 CYS HA . 15776 1
595 . 1 1 66 66 CYS HB2 H 1 2.74 0.02 . 2 . . . . 66 CYS HB2 . 15776 1
596 . 1 1 66 66 CYS HB3 H 1 3.16 0.02 . 2 . . . . 66 CYS HB3 . 15776 1
597 . 1 1 66 66 CYS C C 13 176.2 0.3 . 1 . . . . 66 CYS C . 15776 1
598 . 1 1 66 66 CYS CA C 13 59.7 0.3 . 1 . . . . 66 CYS CA . 15776 1
599 . 1 1 66 66 CYS CB C 13 32.2 0.3 . 1 . . . . 66 CYS CB . 15776 1
600 . 1 1 66 66 CYS N N 15 121.2 0.3 . 1 . . . . 66 CYS N . 15776 1
601 . 1 1 67 67 HIS H H 1 7.70 0.02 . 1 . . . . 67 HIS H . 15776 1
602 . 1 1 67 67 HIS HA H 1 4.85 0.02 . 1 . . . . 67 HIS HA . 15776 1
603 . 1 1 67 67 HIS HB3 H 1 3.38 0.02 . 1 . . . . 67 HIS HB3 . 15776 1
604 . 1 1 67 67 HIS C C 13 171.0 0.3 . 1 . . . . 67 HIS C . 15776 1
605 . 1 1 67 67 HIS CA C 13 56.2 0.3 . 1 . . . . 67 HIS CA . 15776 1
606 . 1 1 67 67 HIS CB C 13 26.8 0.3 . 1 . . . . 67 HIS CB . 15776 1
607 . 1 1 67 67 HIS N N 15 114.2 0.3 . 1 . . . . 67 HIS N . 15776 1
608 . 1 1 68 68 ALA H H 1 8.72 0.02 . 1 . . . . 68 ALA H . 15776 1
609 . 1 1 68 68 ALA HA H 1 4.23 0.02 . 1 . . . . 68 ALA HA . 15776 1
610 . 1 1 68 68 ALA HB1 H 1 1.41 0.02 . 1 . . . . 68 ALA HB . 15776 1
611 . 1 1 68 68 ALA HB2 H 1 1.41 0.02 . 1 . . . . 68 ALA HB . 15776 1
612 . 1 1 68 68 ALA HB3 H 1 1.41 0.02 . 1 . . . . 68 ALA HB . 15776 1
613 . 1 1 68 68 ALA C C 13 177.8 0.3 . 1 . . . . 68 ALA C . 15776 1
614 . 1 1 68 68 ALA CA C 13 53.8 0.3 . 1 . . . . 68 ALA CA . 15776 1
615 . 1 1 68 68 ALA CB C 13 19.8 0.3 . 1 . . . . 68 ALA CB . 15776 1
616 . 1 1 68 68 ALA N N 15 119.6 0.3 . 1 . . . . 68 ALA N . 15776 1
617 . 1 1 69 69 PHE H H 1 8.50 0.02 . 1 . . . . 69 PHE H . 15776 1
618 . 1 1 69 69 PHE HA H 1 4.59 0.02 . 1 . . . . 69 PHE HA . 15776 1
619 . 1 1 69 69 PHE HB2 H 1 2.96 0.02 . 2 . . . . 69 PHE HB2 . 15776 1
620 . 1 1 69 69 PHE HB3 H 1 3.20 0.02 . 2 . . . . 69 PHE HB3 . 15776 1
621 . 1 1 69 69 PHE HD1 H 1 6.96 0.02 . 1 . . . . 69 PHE HD1 . 15776 1
622 . 1 1 69 69 PHE HD2 H 1 6.96 0.02 . 1 . . . . 69 PHE HD2 . 15776 1
623 . 1 1 69 69 PHE HE1 H 1 7.33 0.02 . 1 . . . . 69 PHE HE1 . 15776 1
624 . 1 1 69 69 PHE HE2 H 1 7.33 0.02 . 1 . . . . 69 PHE HE2 . 15776 1
625 . 1 1 69 69 PHE HZ H 1 7.45 0.02 . 1 . . . . 69 PHE HZ . 15776 1
626 . 1 1 69 69 PHE C C 13 174.2 0.3 . 1 . . . . 69 PHE C . 15776 1
627 . 1 1 69 69 PHE CA C 13 58.3 0.3 . 1 . . . . 69 PHE CA . 15776 1
628 . 1 1 69 69 PHE CB C 13 40.9 0.3 . 1 . . . . 69 PHE CB . 15776 1
629 . 1 1 69 69 PHE CD1 C 13 132.9 0.3 . 1 . . . . 69 PHE CD1 . 15776 1
630 . 1 1 69 69 PHE CD2 C 13 132.9 0.3 . 1 . . . . 69 PHE CD2 . 15776 1
631 . 1 1 69 69 PHE CE1 C 13 131.6 0.3 . 1 . . . . 69 PHE CE1 . 15776 1
632 . 1 1 69 69 PHE CE2 C 13 131.6 0.3 . 1 . . . . 69 PHE CE2 . 15776 1
633 . 1 1 69 69 PHE CZ C 13 130.0 0.3 . 1 . . . . 69 PHE CZ . 15776 1
634 . 1 1 69 69 PHE N N 15 122.2 0.3 . 1 . . . . 69 PHE N . 15776 1
635 . 1 1 70 70 LEU H H 1 7.55 0.02 . 1 . . . . 70 LEU H . 15776 1
636 . 1 1 70 70 LEU HA H 1 4.54 0.02 . 1 . . . . 70 LEU HA . 15776 1
637 . 1 1 70 70 LEU HB3 H 1 0.67 0.02 . 1 . . . . 70 LEU HB3 . 15776 1
638 . 1 1 70 70 LEU HD11 H 1 0.90 0.02 . 1 . . . . 70 LEU HD1 . 15776 1
639 . 1 1 70 70 LEU HD12 H 1 0.90 0.02 . 1 . . . . 70 LEU HD1 . 15776 1
640 . 1 1 70 70 LEU HD13 H 1 0.90 0.02 . 1 . . . . 70 LEU HD1 . 15776 1
641 . 1 1 70 70 LEU HD21 H 1 0.50 0.02 . 1 . . . . 70 LEU HD2 . 15776 1
642 . 1 1 70 70 LEU HD22 H 1 0.50 0.02 . 1 . . . . 70 LEU HD2 . 15776 1
643 . 1 1 70 70 LEU HD23 H 1 0.50 0.02 . 1 . . . . 70 LEU HD2 . 15776 1
644 . 1 1 70 70 LEU HG H 1 1.45 0.02 . 1 . . . . 70 LEU HG . 15776 1
645 . 1 1 70 70 LEU C C 13 176.0 0.3 . 1 . . . . 70 LEU C . 15776 1
646 . 1 1 70 70 LEU CA C 13 53.7 0.3 . 1 . . . . 70 LEU CA . 15776 1
647 . 1 1 70 70 LEU CB C 13 43.6 0.3 . 1 . . . . 70 LEU CB . 15776 1
648 . 1 1 70 70 LEU CD1 C 13 23.2 0.3 . 1 . . . . 70 LEU CD1 . 15776 1
649 . 1 1 70 70 LEU CD2 C 13 26.6 0.3 . 1 . . . . 70 LEU CD2 . 15776 1
650 . 1 1 70 70 LEU CG C 13 27.1 0.3 . 1 . . . . 70 LEU CG . 15776 1
651 . 1 1 70 70 LEU N N 15 124.7 0.3 . 1 . . . . 70 LEU N . 15776 1
652 . 1 1 71 71 VAL H H 1 9.70 0.02 . 1 . . . . 71 VAL H . 15776 1
653 . 1 1 71 71 VAL HA H 1 4.14 0.02 . 1 . . . . 71 VAL HA . 15776 1
654 . 1 1 71 71 VAL HB H 1 1.73 0.02 . 1 . . . . 71 VAL HB . 15776 1
655 . 1 1 71 71 VAL HG11 H 1 0.91 0.02 . 1 . . . . 71 VAL HG1 . 15776 1
656 . 1 1 71 71 VAL HG12 H 1 0.91 0.02 . 1 . . . . 71 VAL HG1 . 15776 1
657 . 1 1 71 71 VAL HG13 H 1 0.91 0.02 . 1 . . . . 71 VAL HG1 . 15776 1
658 . 1 1 71 71 VAL HG21 H 1 0.29 0.02 . 1 . . . . 71 VAL HG2 . 15776 1
659 . 1 1 71 71 VAL HG22 H 1 0.29 0.02 . 1 . . . . 71 VAL HG2 . 15776 1
660 . 1 1 71 71 VAL HG23 H 1 0.29 0.02 . 1 . . . . 71 VAL HG2 . 15776 1
661 . 1 1 71 71 VAL CA C 13 59.6 0.3 . 1 . . . . 71 VAL CA . 15776 1
662 . 1 1 71 71 VAL CB C 13 34.0 0.3 . 1 . . . . 71 VAL CB . 15776 1
663 . 1 1 71 71 VAL CG1 C 13 21.6 0.3 . 1 . . . . 71 VAL CG1 . 15776 1
664 . 1 1 71 71 VAL CG2 C 13 21.1 0.3 . 1 . . . . 71 VAL CG2 . 15776 1
665 . 1 1 71 71 VAL N N 15 125.8 0.3 . 1 . . . . 71 VAL N . 15776 1
666 . 1 1 72 72 PRO HA H 1 4.17 0.02 . 1 . . . . 72 PRO HA . 15776 1
667 . 1 1 72 72 PRO HB2 H 1 2.00 0.02 . 2 . . . . 72 PRO HB2 . 15776 1
668 . 1 1 72 72 PRO HB3 H 1 2.21 0.02 . 2 . . . . 72 PRO HB3 . 15776 1
669 . 1 1 72 72 PRO HD2 H 1 3.70 0.02 . 2 . . . . 72 PRO HD2 . 15776 1
670 . 1 1 72 72 PRO HD3 H 1 3.83 0.02 . 2 . . . . 72 PRO HD3 . 15776 1
671 . 1 1 72 72 PRO HG2 H 1 1.92 0.02 . 2 . . . . 72 PRO HG2 . 15776 1
672 . 1 1 72 72 PRO HG3 H 1 2.08 0.02 . 2 . . . . 72 PRO HG3 . 15776 1
673 . 1 1 72 72 PRO C C 13 176.2 0.3 . 1 . . . . 72 PRO C . 15776 1
674 . 1 1 72 72 PRO CA C 13 64.1 0.3 . 1 . . . . 72 PRO CA . 15776 1
675 . 1 1 72 72 PRO CB C 13 32.2 0.3 . 1 . . . . 72 PRO CB . 15776 1
676 . 1 1 72 72 PRO CD C 13 51.2 0.3 . 1 . . . . 72 PRO CD . 15776 1
677 . 1 1 72 72 PRO CG C 13 27.8 0.3 . 1 . . . . 72 PRO CG . 15776 1
678 . 1 1 73 73 GLY H H 1 8.50 0.02 . 1 . . . . 73 GLY H . 15776 1
679 . 1 1 73 73 GLY HA2 H 1 3.86 0.02 . 2 . . . . 73 GLY HA2 . 15776 1
680 . 1 1 73 73 GLY HA3 H 1 4.55 0.02 . 2 . . . . 73 GLY HA3 . 15776 1
681 . 1 1 73 73 GLY CA C 13 45.7 0.3 . 1 . . . . 73 GLY CA . 15776 1
682 . 1 1 73 73 GLY N N 15 112.2 0.3 . 1 . . . . 73 GLY N . 15776 1
683 . 1 1 74 74 ILE H H 1 8.36 0.02 . 1 . . . . 74 ILE H . 15776 1
684 . 1 1 74 74 ILE HA H 1 4.58 0.02 . 1 . . . . 74 ILE HA . 15776 1
685 . 1 1 74 74 ILE HB H 1 2.00 0.02 . 1 . . . . 74 ILE HB . 15776 1
686 . 1 1 74 74 ILE HD11 H 1 1.03 0.02 . 1 . . . . 74 ILE HD1 . 15776 1
687 . 1 1 74 74 ILE HD12 H 1 1.03 0.02 . 1 . . . . 74 ILE HD1 . 15776 1
688 . 1 1 74 74 ILE HD13 H 1 1.03 0.02 . 1 . . . . 74 ILE HD1 . 15776 1
689 . 1 1 74 74 ILE HG12 H 1 1.30 0.02 . 2 . . . . 74 ILE HG12 . 15776 1
690 . 1 1 74 74 ILE HG13 H 1 1.62 0.02 . 2 . . . . 74 ILE HG13 . 15776 1
691 . 1 1 74 74 ILE HG21 H 1 0.88 0.02 . 1 . . . . 74 ILE HG2 . 15776 1
692 . 1 1 74 74 ILE HG22 H 1 0.88 0.02 . 1 . . . . 74 ILE HG2 . 15776 1
693 . 1 1 74 74 ILE HG23 H 1 0.88 0.02 . 1 . . . . 74 ILE HG2 . 15776 1
694 . 1 1 74 74 ILE C C 13 175.7 0.3 . 1 . . . . 74 ILE C . 15776 1
695 . 1 1 74 74 ILE CA C 13 62.7 0.3 . 1 . . . . 74 ILE CA . 15776 1
696 . 1 1 74 74 ILE CB C 13 38.4 0.3 . 1 . . . . 74 ILE CB . 15776 1
697 . 1 1 74 74 ILE CD1 C 13 12.0 0.3 . 1 . . . . 74 ILE CD1 . 15776 1
698 . 1 1 74 74 ILE CG1 C 13 28.3 0.3 . 1 . . . . 74 ILE CG1 . 15776 1
699 . 1 1 74 74 ILE CG2 C 13 18.1 0.3 . 1 . . . . 74 ILE CG2 . 15776 1
700 . 1 1 74 74 ILE N N 15 120.2 0.3 . 1 . . . . 74 ILE N . 15776 1
701 . 1 1 75 75 ASN H H 1 8.47 0.02 . 1 . . . . 75 ASN H . 15776 1
702 . 1 1 75 75 ASN HA H 1 4.97 0.02 . 1 . . . . 75 ASN HA . 15776 1
703 . 1 1 75 75 ASN HB2 H 1 2.89 0.02 . 2 . . . . 75 ASN HB2 . 15776 1
704 . 1 1 75 75 ASN HB3 H 1 3.47 0.02 . 2 . . . . 75 ASN HB3 . 15776 1
705 . 1 1 75 75 ASN HD21 H 1 8.72 0.02 . 1 . . . . 75 ASN HD21 . 15776 1
706 . 1 1 75 75 ASN C C 13 172.9 0.3 . 1 . . . . 75 ASN C . 15776 1
707 . 1 1 75 75 ASN CA C 13 52.6 0.3 . 1 . . . . 75 ASN CA . 15776 1
708 . 1 1 75 75 ASN CB C 13 38.6 0.3 . 1 . . . . 75 ASN CB . 15776 1
709 . 1 1 75 75 ASN N N 15 116.4 0.3 . 1 . . . . 75 ASN N . 15776 1
710 . 1 1 75 75 ASN ND2 N 15 112.4 0.3 . 1 . . . . 75 ASN ND2 . 15776 1
711 . 1 1 76 76 ALA H H 1 7.25 0.02 . 1 . . . . 76 ALA H . 15776 1
712 . 1 1 76 76 ALA HA H 1 5.51 0.02 . 1 . . . . 76 ALA HA . 15776 1
713 . 1 1 76 76 ALA HB1 H 1 1.07 0.02 . 1 . . . . 76 ALA HB . 15776 1
714 . 1 1 76 76 ALA HB2 H 1 1.07 0.02 . 1 . . . . 76 ALA HB . 15776 1
715 . 1 1 76 76 ALA HB3 H 1 1.07 0.02 . 1 . . . . 76 ALA HB . 15776 1
716 . 1 1 76 76 ALA C C 13 176.2 0.3 . 1 . . . . 76 ALA C . 15776 1
717 . 1 1 76 76 ALA CA C 13 50.4 0.3 . 1 . . . . 76 ALA CA . 15776 1
718 . 1 1 76 76 ALA CB C 13 23.2 0.3 . 1 . . . . 76 ALA CB . 15776 1
719 . 1 1 76 76 ALA N N 15 117.4 0.3 . 1 . . . . 76 ALA N . 15776 1
720 . 1 1 77 77 ARG H H 1 8.85 0.02 . 1 . . . . 77 ARG H . 15776 1
721 . 1 1 77 77 ARG HA H 1 4.95 0.02 . 1 . . . . 77 ARG HA . 15776 1
722 . 1 1 77 77 ARG HB2 H 1 1.73 0.02 . 2 . . . . 77 ARG HB2 . 15776 1
723 . 1 1 77 77 ARG HB3 H 1 1.84 0.02 . 2 . . . . 77 ARG HB3 . 15776 1
724 . 1 1 77 77 ARG HD2 H 1 3.24 0.02 . 2 . . . . 77 ARG HD2 . 15776 1
725 . 1 1 77 77 ARG HD3 H 1 3.31 0.02 . 2 . . . . 77 ARG HD3 . 15776 1
726 . 1 1 77 77 ARG HG2 H 1 1.58 0.02 . 2 . . . . 77 ARG HG2 . 15776 1
727 . 1 1 77 77 ARG HG3 H 1 1.74 0.02 . 2 . . . . 77 ARG HG3 . 15776 1
728 . 1 1 77 77 ARG CA C 13 54.8 0.3 . 1 . . . . 77 ARG CA . 15776 1
729 . 1 1 77 77 ARG CB C 13 33.7 0.3 . 1 . . . . 77 ARG CB . 15776 1
730 . 1 1 77 77 ARG CD C 13 43.8 0.3 . 1 . . . . 77 ARG CD . 15776 1
731 . 1 1 77 77 ARG CG C 13 27.6 0.3 . 1 . . . . 77 ARG CG . 15776 1
732 . 1 1 77 77 ARG N N 15 123.0 0.3 . 1 . . . . 77 ARG N . 15776 1
733 . 1 1 78 78 VAL H H 1 8.92 0.02 . 1 . . . . 78 VAL H . 15776 1
734 . 1 1 78 78 VAL HA H 1 4.73 0.02 . 1 . . . . 78 VAL HA . 15776 1
735 . 1 1 78 78 VAL HB H 1 2.22 0.02 . 1 . . . . 78 VAL HB . 15776 1
736 . 1 1 78 78 VAL HG11 H 1 0.84 0.02 . 1 . . . . 78 VAL HG1 . 15776 1
737 . 1 1 78 78 VAL HG12 H 1 0.84 0.02 . 1 . . . . 78 VAL HG1 . 15776 1
738 . 1 1 78 78 VAL HG13 H 1 0.84 0.02 . 1 . . . . 78 VAL HG1 . 15776 1
739 . 1 1 78 78 VAL HG21 H 1 1.08 0.02 . 1 . . . . 78 VAL HG2 . 15776 1
740 . 1 1 78 78 VAL HG22 H 1 1.08 0.02 . 1 . . . . 78 VAL HG2 . 15776 1
741 . 1 1 78 78 VAL HG23 H 1 1.08 0.02 . 1 . . . . 78 VAL HG2 . 15776 1
742 . 1 1 78 78 VAL CA C 13 61.4 0.3 . 1 . . . . 78 VAL CA . 15776 1
743 . 1 1 78 78 VAL CB C 13 34.4 0.3 . 1 . . . . 78 VAL CB . 15776 1
744 . 1 1 78 78 VAL CG1 C 13 21.4 0.3 . 1 . . . . 78 VAL CG1 . 15776 1
745 . 1 1 78 78 VAL CG2 C 13 21.8 0.3 . 1 . . . . 78 VAL CG2 . 15776 1
746 . 1 1 78 78 VAL N N 15 127.4 0.3 . 1 . . . . 78 VAL N . 15776 1
747 . 1 1 79 79 ARG H H 1 9.00 0.02 . 1 . . . . 79 ARG H . 15776 1
748 . 1 1 79 79 ARG HA H 1 4.75 0.02 . 1 . . . . 79 ARG HA . 15776 1
749 . 1 1 79 79 ARG HB3 H 1 1.99 0.02 . 1 . . . . 79 ARG HB3 . 15776 1
750 . 1 1 79 79 ARG HD2 H 1 3.23 0.02 . 2 . . . . 79 ARG HD2 . 15776 1
751 . 1 1 79 79 ARG HD3 H 1 3.29 0.02 . 2 . . . . 79 ARG HD3 . 15776 1
752 . 1 1 79 79 ARG HG2 H 1 1.56 0.02 . 2 . . . . 79 ARG HG2 . 15776 1
753 . 1 1 79 79 ARG HG3 H 1 1.73 0.02 . 2 . . . . 79 ARG HG3 . 15776 1
754 . 1 1 79 79 ARG CA C 13 54.4 0.3 . 1 . . . . 79 ARG CA . 15776 1
755 . 1 1 79 79 ARG CB C 13 34.3 0.3 . 1 . . . . 79 ARG CB . 15776 1
756 . 1 1 79 79 ARG CD C 13 43.8 0.3 . 1 . . . . 79 ARG CD . 15776 1
757 . 1 1 79 79 ARG CG C 13 27.7 0.3 . 1 . . . . 79 ARG CG . 15776 1
758 . 1 1 79 79 ARG N N 15 126.4 0.3 . 1 . . . . 79 ARG N . 15776 1
759 . 1 1 80 80 LEU H H 1 8.48 0.02 . 1 . . . . 80 LEU H . 15776 1
760 . 1 1 80 80 LEU HA H 1 4.69 0.02 . 1 . . . . 80 LEU HA . 15776 1
761 . 1 1 80 80 LEU HB2 H 1 1.36 0.02 . 2 . . . . 80 LEU HB2 . 15776 1
762 . 1 1 80 80 LEU HB3 H 1 1.58 0.02 . 2 . . . . 80 LEU HB3 . 15776 1
763 . 1 1 80 80 LEU HD11 H 1 0.60 0.02 . 1 . . . . 80 LEU HD1 . 15776 1
764 . 1 1 80 80 LEU HD12 H 1 0.60 0.02 . 1 . . . . 80 LEU HD1 . 15776 1
765 . 1 1 80 80 LEU HD13 H 1 0.60 0.02 . 1 . . . . 80 LEU HD1 . 15776 1
766 . 1 1 80 80 LEU HD21 H 1 0.50 0.02 . 1 . . . . 80 LEU HD2 . 15776 1
767 . 1 1 80 80 LEU HD22 H 1 0.50 0.02 . 1 . . . . 80 LEU HD2 . 15776 1
768 . 1 1 80 80 LEU HD23 H 1 0.50 0.02 . 1 . . . . 80 LEU HD2 . 15776 1
769 . 1 1 80 80 LEU HG H 1 1.26 0.02 . 1 . . . . 80 LEU HG . 15776 1
770 . 1 1 80 80 LEU CA C 13 54.6 0.3 . 1 . . . . 80 LEU CA . 15776 1
771 . 1 1 80 80 LEU CB C 13 43.5 0.3 . 1 . . . . 80 LEU CB . 15776 1
772 . 1 1 80 80 LEU CD1 C 13 25.3 0.3 . 1 . . . . 80 LEU CD1 . 15776 1
773 . 1 1 80 80 LEU CD2 C 13 24.0 0.3 . 1 . . . . 80 LEU CD2 . 15776 1
774 . 1 1 80 80 LEU CG C 13 28.2 0.3 . 1 . . . . 80 LEU CG . 15776 1
775 . 1 1 80 80 LEU N N 15 124.7 0.3 . 1 . . . . 80 LEU N . 15776 1
776 . 1 1 81 81 ARG H H 1 8.80 0.02 . 1 . . . . 81 ARG H . 15776 1
777 . 1 1 81 81 ARG HA H 1 4.54 0.02 . 1 . . . . 81 ARG HA . 15776 1
778 . 1 1 81 81 ARG HB2 H 1 1.28 0.02 . 1 . . . . 81 ARG HB2 . 15776 1
779 . 1 1 81 81 ARG HD2 H 1 3.17 0.02 . 1 . . . . 81 ARG HD2 . 15776 1
780 . 1 1 81 81 ARG HG2 H 1 1.63 0.02 . 1 . . . . 81 ARG HG2 . 15776 1
781 . 1 1 81 81 ARG CA C 13 54.6 0.3 . 1 . . . . 81 ARG CA . 15776 1
782 . 1 1 81 81 ARG CB C 13 31.6 0.3 . 1 . . . . 81 ARG CB . 15776 1
783 . 1 1 81 81 ARG CD C 13 43.6 0.3 . 1 . . . . 81 ARG CD . 15776 1
784 . 1 1 81 81 ARG CG C 13 27.5 0.3 . 1 . . . . 81 ARG CG . 15776 1
785 . 1 1 81 81 ARG N N 15 126.1 0.3 . 1 . . . . 81 ARG N . 15776 1
786 . 1 1 86 86 PRO HA H 1 4.70 0.02 . 1 . . . . 86 PRO HA . 15776 1
787 . 1 1 86 86 PRO HB2 H 1 2.18 0.02 . 2 . . . . 86 PRO HB2 . 15776 1
788 . 1 1 86 86 PRO HB3 H 1 2.40 0.02 . 2 . . . . 86 PRO HB3 . 15776 1
789 . 1 1 86 86 PRO HD2 H 1 3.55 0.02 . 2 . . . . 86 PRO HD2 . 15776 1
790 . 1 1 86 86 PRO HD3 H 1 3.64 0.02 . 2 . . . . 86 PRO HD3 . 15776 1
791 . 1 1 86 86 PRO HG3 H 1 1.93 0.02 . 1 . . . . 86 PRO HG3 . 15776 1
792 . 1 1 86 86 PRO C C 13 176.4 0.3 . 1 . . . . 86 PRO C . 15776 1
793 . 1 1 86 86 PRO CA C 13 64.0 0.3 . 1 . . . . 86 PRO CA . 15776 1
794 . 1 1 86 86 PRO CB C 13 32.6 0.3 . 1 . . . . 86 PRO CB . 15776 1
795 . 1 1 86 86 PRO CD C 13 51.2 0.3 . 1 . . . . 86 PRO CD . 15776 1
796 . 1 1 87 87 HIS H H 1 8.56 0.02 . 1 . . . . 87 HIS H . 15776 1
797 . 1 1 87 87 HIS HA H 1 5.14 0.02 . 1 . . . . 87 HIS HA . 15776 1
798 . 1 1 87 87 HIS HB2 H 1 3.00 0.02 . 2 . . . . 87 HIS HB2 . 15776 1
799 . 1 1 87 87 HIS HB3 H 1 3.16 0.02 . 2 . . . . 87 HIS HB3 . 15776 1
800 . 1 1 87 87 HIS C C 13 172.6 0.3 . 1 . . . . 87 HIS C . 15776 1
801 . 1 1 87 87 HIS CA C 13 56.0 0.3 . 1 . . . . 87 HIS CA . 15776 1
802 . 1 1 87 87 HIS CB C 13 32.4 0.3 . 1 . . . . 87 HIS CB . 15776 1
803 . 1 1 87 87 HIS N N 15 118.7 0.3 . 1 . . . . 87 HIS N . 15776 1
804 . 1 1 88 88 ILE H H 1 9.25 0.02 . 1 . . . . 88 ILE H . 15776 1
805 . 1 1 88 88 ILE HA H 1 4.71 0.02 . 1 . . . . 88 ILE HA . 15776 1
806 . 1 1 88 88 ILE HB H 1 1.77 0.02 . 1 . . . . 88 ILE HB . 15776 1
807 . 1 1 88 88 ILE HD11 H 1 0.81 0.02 . 1 . . . . 88 ILE HD1 . 15776 1
808 . 1 1 88 88 ILE HD12 H 1 0.81 0.02 . 1 . . . . 88 ILE HD1 . 15776 1
809 . 1 1 88 88 ILE HD13 H 1 0.81 0.02 . 1 . . . . 88 ILE HD1 . 15776 1
810 . 1 1 88 88 ILE HG12 H 1 1.10 0.02 . 2 . . . . 88 ILE HG12 . 15776 1
811 . 1 1 88 88 ILE HG13 H 1 1.58 0.02 . 2 . . . . 88 ILE HG13 . 15776 1
812 . 1 1 88 88 ILE HG21 H 1 0.86 0.02 . 1 . . . . 88 ILE HG2 . 15776 1
813 . 1 1 88 88 ILE HG22 H 1 0.86 0.02 . 1 . . . . 88 ILE HG2 . 15776 1
814 . 1 1 88 88 ILE HG23 H 1 0.86 0.02 . 1 . . . . 88 ILE HG2 . 15776 1
815 . 1 1 88 88 ILE CA C 13 60.2 0.3 . 1 . . . . 88 ILE CA . 15776 1
816 . 1 1 88 88 ILE CB C 13 40.6 0.3 . 1 . . . . 88 ILE CB . 15776 1
817 . 1 1 88 88 ILE CD1 C 13 13.3 0.3 . 1 . . . . 88 ILE CD1 . 15776 1
818 . 1 1 88 88 ILE CG1 C 13 28.4 0.3 . 1 . . . . 88 ILE CG1 . 15776 1
819 . 1 1 88 88 ILE CG2 C 13 18.3 0.3 . 1 . . . . 88 ILE CG2 . 15776 1
820 . 1 1 88 88 ILE N N 15 120.6 0.3 . 1 . . . . 88 ILE N . 15776 1
821 . 1 1 89 89 VAL H H 1 9.05 0.02 . 1 . . . . 89 VAL H . 15776 1
822 . 1 1 89 89 VAL HA H 1 4.80 0.02 . 1 . . . . 89 VAL HA . 15776 1
823 . 1 1 89 89 VAL HB H 1 1.99 0.02 . 1 . . . . 89 VAL HB . 15776 1
824 . 1 1 89 89 VAL HG11 H 1 1.00 0.02 . 1 . . . . 89 VAL HG1 . 15776 1
825 . 1 1 89 89 VAL HG12 H 1 1.00 0.02 . 1 . . . . 89 VAL HG1 . 15776 1
826 . 1 1 89 89 VAL HG13 H 1 1.00 0.02 . 1 . . . . 89 VAL HG1 . 15776 1
827 . 1 1 89 89 VAL HG21 H 1 0.92 0.02 . 1 . . . . 89 VAL HG2 . 15776 1
828 . 1 1 89 89 VAL HG22 H 1 0.92 0.02 . 1 . . . . 89 VAL HG2 . 15776 1
829 . 1 1 89 89 VAL HG23 H 1 0.92 0.02 . 1 . . . . 89 VAL HG2 . 15776 1
830 . 1 1 89 89 VAL C C 13 175.0 0.3 . 1 . . . . 89 VAL C . 15776 1
831 . 1 1 89 89 VAL CA C 13 61.4 0.3 . 1 . . . . 89 VAL CA . 15776 1
832 . 1 1 89 89 VAL CB C 13 34.4 0.3 . 1 . . . . 89 VAL CB . 15776 1
833 . 1 1 89 89 VAL CG1 C 13 22.5 0.3 . 1 . . . . 89 VAL CG1 . 15776 1
834 . 1 1 89 89 VAL CG2 C 13 22.1 0.3 . 1 . . . . 89 VAL CG2 . 15776 1
835 . 1 1 90 90 VAL H H 1 9.34 0.02 . 1 . . . . 90 VAL H . 15776 1
836 . 1 1 90 90 VAL HA H 1 5.16 0.02 . 1 . . . . 90 VAL HA . 15776 1
837 . 1 1 90 90 VAL HB H 1 1.99 0.02 . 1 . . . . 90 VAL HB . 15776 1
838 . 1 1 90 90 VAL HG11 H 1 0.87 0.02 . 1 . . . . 90 VAL HG1 . 15776 1
839 . 1 1 90 90 VAL HG12 H 1 0.87 0.02 . 1 . . . . 90 VAL HG1 . 15776 1
840 . 1 1 90 90 VAL HG13 H 1 0.87 0.02 . 1 . . . . 90 VAL HG1 . 15776 1
841 . 1 1 90 90 VAL HG21 H 1 0.91 0.02 . 1 . . . . 90 VAL HG2 . 15776 1
842 . 1 1 90 90 VAL HG22 H 1 0.91 0.02 . 1 . . . . 90 VAL HG2 . 15776 1
843 . 1 1 90 90 VAL HG23 H 1 0.91 0.02 . 1 . . . . 90 VAL HG2 . 15776 1
844 . 1 1 90 90 VAL C C 13 173.6 0.3 . 1 . . . . 90 VAL C . 15776 1
845 . 1 1 90 90 VAL CA C 13 61.4 0.3 . 1 . . . . 90 VAL CA . 15776 1
846 . 1 1 90 90 VAL CB C 13 34.1 0.3 . 1 . . . . 90 VAL CB . 15776 1
847 . 1 1 90 90 VAL CG1 C 13 21.5 0.3 . 1 . . . . 90 VAL CG1 . 15776 1
848 . 1 1 90 90 VAL CG2 C 13 21.4 0.3 . 1 . . . . 90 VAL CG2 . 15776 1
849 . 1 1 90 90 VAL N N 15 128.0 0.3 . 1 . . . . 90 VAL N . 15776 1
850 . 1 1 91 91 LYS H H 1 9.03 0.02 . 1 . . . . 91 LYS H . 15776 1
851 . 1 1 91 91 LYS HA H 1 5.16 0.02 . 1 . . . . 91 LYS HA . 15776 1
852 . 1 1 91 91 LYS HB2 H 1 1.53 0.02 . 2 . . . . 91 LYS HB2 . 15776 1
853 . 1 1 91 91 LYS HB3 H 1 1.79 0.02 . 2 . . . . 91 LYS HB3 . 15776 1
854 . 1 1 91 91 LYS HD3 H 1 1.56 0.02 . 1 . . . . 91 LYS HD3 . 15776 1
855 . 1 1 91 91 LYS HE3 H 1 2.93 0.02 . 1 . . . . 91 LYS HE3 . 15776 1
856 . 1 1 91 91 LYS HG2 H 1 1.01 0.02 . 2 . . . . 91 LYS HG2 . 15776 1
857 . 1 1 91 91 LYS HG3 H 1 1.16 0.02 . 2 . . . . 91 LYS HG3 . 15776 1
858 . 1 1 91 91 LYS C C 13 175.3 0.3 . 1 . . . . 91 LYS C . 15776 1
859 . 1 1 91 91 LYS CA C 13 54.1 0.3 . 1 . . . . 91 LYS CA . 15776 1
860 . 1 1 91 91 LYS CB C 13 36.6 0.3 . 1 . . . . 91 LYS CB . 15776 1
861 . 1 1 91 91 LYS CD C 13 30.6 0.3 . 1 . . . . 91 LYS CD . 15776 1
862 . 1 1 91 91 LYS CE C 13 42.8 0.3 . 1 . . . . 91 LYS CE . 15776 1
863 . 1 1 91 91 LYS CG C 13 25.9 0.3 . 1 . . . . 91 LYS CG . 15776 1
864 . 1 1 91 91 LYS N N 15 128.1 0.3 . 1 . . . . 91 LYS N . 15776 1
865 . 1 1 92 92 CYS H H 1 9.05 0.02 . 1 . . . . 92 CYS H . 15776 1
866 . 1 1 92 92 CYS HA H 1 4.95 0.02 . 1 . . . . 92 CYS HA . 15776 1
867 . 1 1 92 92 CYS HB2 H 1 2.83 0.02 . 2 . . . . 92 CYS HB2 . 15776 1
868 . 1 1 92 92 CYS HB3 H 1 2.87 0.02 . 2 . . . . 92 CYS HB3 . 15776 1
869 . 1 1 92 92 CYS C C 13 177.3 0.3 . 1 . . . . 92 CYS C . 15776 1
870 . 1 1 92 92 CYS CA C 13 59.6 0.3 . 1 . . . . 92 CYS CA . 15776 1
871 . 1 1 92 92 CYS CB C 13 32.6 0.3 . 1 . . . . 92 CYS CB . 15776 1
872 . 1 1 92 92 CYS N N 15 129.9 0.3 . 1 . . . . 92 CYS N . 15776 1
873 . 1 1 93 93 LEU H H 1 8.91 0.02 . 1 . . . . 93 LEU H . 15776 1
874 . 1 1 93 93 LEU HA H 1 4.48 0.02 . 1 . . . . 93 LEU HA . 15776 1
875 . 1 1 93 93 LEU HB2 H 1 1.54 0.02 . 2 . . . . 93 LEU HB2 . 15776 1
876 . 1 1 93 93 LEU HB3 H 1 1.71 0.02 . 2 . . . . 93 LEU HB3 . 15776 1
877 . 1 1 93 93 LEU HD11 H 1 0.80 0.02 . 1 . . . . 93 LEU HD1 . 15776 1
878 . 1 1 93 93 LEU HD12 H 1 0.80 0.02 . 1 . . . . 93 LEU HD1 . 15776 1
879 . 1 1 93 93 LEU HD13 H 1 0.80 0.02 . 1 . . . . 93 LEU HD1 . 15776 1
880 . 1 1 93 93 LEU HD21 H 1 0.76 0.02 . 1 . . . . 93 LEU HD2 . 15776 1
881 . 1 1 93 93 LEU HD22 H 1 0.76 0.02 . 1 . . . . 93 LEU HD2 . 15776 1
882 . 1 1 93 93 LEU HD23 H 1 0.76 0.02 . 1 . . . . 93 LEU HD2 . 15776 1
883 . 1 1 93 93 LEU HG H 1 1.43 0.02 . 1 . . . . 93 LEU HG . 15776 1
884 . 1 1 93 93 LEU C C 13 178.1 0.3 . 1 . . . . 93 LEU C . 15776 1
885 . 1 1 93 93 LEU CA C 13 55.3 0.3 . 1 . . . . 93 LEU CA . 15776 1
886 . 1 1 93 93 LEU CB C 13 40.5 0.3 . 1 . . . . 93 LEU CB . 15776 1
887 . 1 1 93 93 LEU CD1 C 13 25.4 0.3 . 1 . . . . 93 LEU CD1 . 15776 1
888 . 1 1 93 93 LEU CD2 C 13 22.0 0.3 . 1 . . . . 93 LEU CD2 . 15776 1
889 . 1 1 93 93 LEU CG C 13 27.5 0.3 . 1 . . . . 93 LEU CG . 15776 1
890 . 1 1 93 93 LEU N N 15 127.3 0.3 . 1 . . . . 93 LEU N . 15776 1
891 . 1 1 94 94 GLU H H 1 9.46 0.02 . 1 . . . . 94 GLU H . 15776 1
892 . 1 1 94 94 GLU HA H 1 4.42 0.02 . 1 . . . . 94 GLU HA . 15776 1
893 . 1 1 94 94 GLU HB2 H 1 1.88 0.02 . 2 . . . . 94 GLU HB2 . 15776 1
894 . 1 1 94 94 GLU HB3 H 1 2.14 0.02 . 2 . . . . 94 GLU HB3 . 15776 1
895 . 1 1 94 94 GLU HG2 H 1 2.34 0.02 . 2 . . . . 94 GLU HG2 . 15776 1
896 . 1 1 94 94 GLU HG3 H 1 2.47 0.02 . 2 . . . . 94 GLU HG3 . 15776 1
897 . 1 1 94 94 GLU C C 13 178.4 0.3 . 1 . . . . 94 GLU C . 15776 1
898 . 1 1 94 94 GLU CA C 13 59.7 0.3 . 1 . . . . 94 GLU CA . 15776 1
899 . 1 1 94 94 GLU CB C 13 29.9 0.3 . 1 . . . . 94 GLU CB . 15776 1
900 . 1 1 94 94 GLU CG C 13 36.8 0.3 . 1 . . . . 94 GLU CG . 15776 1
901 . 1 1 94 94 GLU N N 15 122.9 0.3 . 1 . . . . 94 GLU N . 15776 1
902 . 1 1 95 95 CYS H H 1 9.11 0.02 . 1 . . . . 95 CYS H . 15776 1
903 . 1 1 95 95 CYS HA H 1 5.14 0.02 . 1 . . . . 95 CYS HA . 15776 1
904 . 1 1 95 95 CYS HB2 H 1 2.58 0.02 . 2 . . . . 95 CYS HB2 . 15776 1
905 . 1 1 95 95 CYS HB3 H 1 3.28 0.02 . 2 . . . . 95 CYS HB3 . 15776 1
906 . 1 1 95 95 CYS C C 13 176.9 0.3 . 1 . . . . 95 CYS C . 15776 1
907 . 1 1 95 95 CYS CA C 13 58.9 0.3 . 1 . . . . 95 CYS CA . 15776 1
908 . 1 1 95 95 CYS CB C 13 33.6 0.3 . 1 . . . . 95 CYS CB . 15776 1
909 . 1 1 95 95 CYS N N 15 119.2 0.3 . 1 . . . . 95 CYS N . 15776 1
910 . 1 1 96 96 GLY H H 1 8.00 0.02 . 1 . . . . 96 GLY H . 15776 1
911 . 1 1 96 96 GLY HA2 H 1 3.85 0.02 . 1 . . . . 96 GLY HA2 . 15776 1
912 . 1 1 96 96 GLY C C 13 174.1 0.3 . 1 . . . . 96 GLY C . 15776 1
913 . 1 1 96 96 GLY CA C 13 46.5 0.3 . 1 . . . . 96 GLY CA . 15776 1
914 . 1 1 96 96 GLY N N 15 115.3 0.3 . 1 . . . . 96 GLY N . 15776 1
915 . 1 1 97 97 HIS H H 1 9.31 0.02 . 1 . . . . 97 HIS H . 15776 1
916 . 1 1 97 97 HIS HA H 1 4.50 0.02 . 1 . . . . 97 HIS HA . 15776 1
917 . 1 1 97 97 HIS HB2 H 1 3.13 0.02 . 2 . . . . 97 HIS HB2 . 15776 1
918 . 1 1 97 97 HIS HB3 H 1 3.33 0.02 . 2 . . . . 97 HIS HB3 . 15776 1
919 . 1 1 97 97 HIS C C 13 173.2 0.3 . 1 . . . . 97 HIS C . 15776 1
920 . 1 1 97 97 HIS CA C 13 58.6 0.3 . 1 . . . . 97 HIS CA . 15776 1
921 . 1 1 97 97 HIS CB C 13 33.0 0.3 . 1 . . . . 97 HIS CB . 15776 1
922 . 1 1 97 97 HIS N N 15 125.3 0.3 . 1 . . . . 97 HIS N . 15776 1
923 . 1 1 98 98 ILE H H 1 6.89 0.02 . 1 . . . . 98 ILE H . 15776 1
924 . 1 1 98 98 ILE HA H 1 4.76 0.02 . 1 . . . . 98 ILE HA . 15776 1
925 . 1 1 98 98 ILE HB H 1 1.55 0.02 . 1 . . . . 98 ILE HB . 15776 1
926 . 1 1 98 98 ILE HD11 H 1 0.86 0.02 . 1 . . . . 98 ILE HD1 . 15776 1
927 . 1 1 98 98 ILE HD12 H 1 0.86 0.02 . 1 . . . . 98 ILE HD1 . 15776 1
928 . 1 1 98 98 ILE HD13 H 1 0.86 0.02 . 1 . . . . 98 ILE HD1 . 15776 1
929 . 1 1 98 98 ILE HG12 H 1 0.93 0.02 . 2 . . . . 98 ILE HG12 . 15776 1
930 . 1 1 98 98 ILE HG13 H 1 1.75 0.02 . 2 . . . . 98 ILE HG13 . 15776 1
931 . 1 1 98 98 ILE HG21 H 1 0.71 0.02 . 1 . . . . 98 ILE HG2 . 15776 1
932 . 1 1 98 98 ILE HG22 H 1 0.71 0.02 . 1 . . . . 98 ILE HG2 . 15776 1
933 . 1 1 98 98 ILE HG23 H 1 0.71 0.02 . 1 . . . . 98 ILE HG2 . 15776 1
934 . 1 1 98 98 ILE C C 13 175.0 0.3 . 1 . . . . 98 ILE C . 15776 1
935 . 1 1 98 98 ILE CA C 13 60.0 0.3 . 1 . . . . 98 ILE CA . 15776 1
936 . 1 1 98 98 ILE CB C 13 40.2 0.3 . 1 . . . . 98 ILE CB . 15776 1
937 . 1 1 98 98 ILE CD1 C 13 13.4 0.3 . 1 . . . . 98 ILE CD1 . 15776 1
938 . 1 1 98 98 ILE CG1 C 13 28.4 0.3 . 1 . . . . 98 ILE CG1 . 15776 1
939 . 1 1 98 98 ILE CG2 C 13 18.3 0.3 . 1 . . . . 98 ILE CG2 . 15776 1
940 . 1 1 98 98 ILE N N 15 123.6 0.3 . 1 . . . . 98 ILE N . 15776 1
941 . 1 1 99 99 MET H H 1 9.05 0.02 . 1 . . . . 99 MET H . 15776 1
942 . 1 1 99 99 MET HA H 1 4.63 0.02 . 1 . . . . 99 MET HA . 15776 1
943 . 1 1 99 99 MET HB2 H 1 2.62 0.02 . 2 . . . . 99 MET HB2 . 15776 1
944 . 1 1 99 99 MET HB3 H 1 2.74 0.02 . 2 . . . . 99 MET HB3 . 15776 1
945 . 1 1 99 99 MET HE1 H 1 2.21 0.02 . 1 . . . . 99 MET HE . 15776 1
946 . 1 1 99 99 MET HE2 H 1 2.21 0.02 . 1 . . . . 99 MET HE . 15776 1
947 . 1 1 99 99 MET HE3 H 1 2.21 0.02 . 1 . . . . 99 MET HE . 15776 1
948 . 1 1 99 99 MET HG2 H 1 2.99 0.02 . 2 . . . . 99 MET HG2 . 15776 1
949 . 1 1 99 99 MET HG3 H 1 3.12 0.02 . 2 . . . . 99 MET HG3 . 15776 1
950 . 1 1 99 99 MET C C 13 173.1 0.3 . 1 . . . . 99 MET C . 15776 1
951 . 1 1 99 99 MET CA C 13 54.4 0.3 . 1 . . . . 99 MET CA . 15776 1
952 . 1 1 99 99 MET CB C 13 37.9 0.3 . 1 . . . . 99 MET CB . 15776 1
953 . 1 1 99 99 MET CE C 13 17.7 0.3 . 1 . . . . 99 MET CE . 15776 1
954 . 1 1 99 99 MET CG C 13 33.2 0.3 . 1 . . . . 99 MET CG . 15776 1
955 . 1 1 99 99 MET N N 15 126.4 0.3 . 1 . . . . 99 MET N . 15776 1
956 . 1 1 100 100 ARG H H 1 7.93 0.02 . 1 . . . . 100 ARG H . 15776 1
957 . 1 1 100 100 ARG HA H 1 5.37 0.02 . 1 . . . . 100 ARG HA . 15776 1
958 . 1 1 100 100 ARG HB2 H 1 1.76 0.02 . 2 . . . . 100 ARG HB2 . 15776 1
959 . 1 1 100 100 ARG HB3 H 1 1.84 0.02 . 2 . . . . 100 ARG HB3 . 15776 1
960 . 1 1 100 100 ARG HD3 H 1 2.87 0.02 . 1 . . . . 100 ARG HD3 . 15776 1
961 . 1 1 100 100 ARG HG2 H 1 1.43 0.02 . 2 . . . . 100 ARG HG2 . 15776 1
962 . 1 1 100 100 ARG HG3 H 1 1.50 0.02 . 2 . . . . 100 ARG HG3 . 15776 1
963 . 1 1 100 100 ARG C C 13 175.2 0.3 . 1 . . . . 100 ARG C . 15776 1
964 . 1 1 100 100 ARG CA C 13 54.7 0.3 . 1 . . . . 100 ARG CA . 15776 1
965 . 1 1 100 100 ARG CB C 13 33.6 0.3 . 1 . . . . 100 ARG CB . 15776 1
966 . 1 1 100 100 ARG CD C 13 43.5 0.3 . 1 . . . . 100 ARG CD . 15776 1
967 . 1 1 100 100 ARG CG C 13 28.3 0.3 . 1 . . . . 100 ARG CG . 15776 1
968 . 1 1 100 100 ARG N N 15 120.2 0.3 . 1 . . . . 100 ARG N . 15776 1
969 . 1 1 101 101 TYR H H 1 9.11 0.02 . 1 . . . . 101 TYR H . 15776 1
970 . 1 1 101 101 TYR HA H 1 5.13 0.02 . 1 . . . . 101 TYR HA . 15776 1
971 . 1 1 101 101 TYR HB2 H 1 2.58 0.02 . 2 . . . . 101 TYR HB2 . 15776 1
972 . 1 1 101 101 TYR HB3 H 1 3.21 0.02 . 2 . . . . 101 TYR HB3 . 15776 1
973 . 1 1 101 101 TYR HD1 H 1 7.04 0.02 . 1 . . . . 101 TYR HD1 . 15776 1
974 . 1 1 101 101 TYR HD2 H 1 7.04 0.02 . 1 . . . . 101 TYR HD2 . 15776 1
975 . 1 1 101 101 TYR HE1 H 1 6.73 0.02 . 1 . . . . 101 TYR HE1 . 15776 1
976 . 1 1 101 101 TYR HE2 H 1 6.73 0.02 . 1 . . . . 101 TYR HE2 . 15776 1
977 . 1 1 101 101 TYR CA C 13 55.3 0.3 . 1 . . . . 101 TYR CA . 15776 1
978 . 1 1 101 101 TYR CB C 13 40.9 0.3 . 1 . . . . 101 TYR CB . 15776 1
979 . 1 1 101 101 TYR CD1 C 13 134.5 0.3 . 1 . . . . 101 TYR CD1 . 15776 1
980 . 1 1 101 101 TYR CD2 C 13 134.5 0.3 . 1 . . . . 101 TYR CD2 . 15776 1
981 . 1 1 101 101 TYR CE1 C 13 119.1 0.3 . 1 . . . . 101 TYR CE1 . 15776 1
982 . 1 1 101 101 TYR CE2 C 13 119.1 0.3 . 1 . . . . 101 TYR CE2 . 15776 1
983 . 1 1 101 101 TYR N N 15 121.1 0.3 . 1 . . . . 101 TYR N . 15776 1
984 . 1 1 122 122 PRO HA H 1 4.42 0.02 . 1 . . . . 122 PRO HA . 15776 1
985 . 1 1 122 122 PRO HB2 H 1 1.98 0.02 . 2 . . . . 122 PRO HB2 . 15776 1
986 . 1 1 122 122 PRO HB3 H 1 2.24 0.02 . 2 . . . . 122 PRO HB3 . 15776 1
987 . 1 1 122 122 PRO C C 13 175.6 0.3 . 1 . . . . 122 PRO C . 15776 1
988 . 1 1 122 122 PRO CA C 13 63.7 0.3 . 1 . . . . 122 PRO CA . 15776 1
989 . 1 1 122 122 PRO CB C 13 32.8 0.3 . 1 . . . . 122 PRO CB . 15776 1
990 . 1 1 122 122 PRO CD C 13 51.7 0.3 . 1 . . . . 122 PRO CD . 15776 1
991 . 1 1 122 122 PRO CG C 13 27.8 0.3 . 1 . . . . 122 PRO CG . 15776 1
992 . 1 1 123 123 ARG H H 1 7.79 0.02 . 1 . . . . 123 ARG H . 15776 1
993 . 1 1 123 123 ARG HA H 1 4.20 0.02 . 1 . . . . 123 ARG HA . 15776 1
994 . 1 1 123 123 ARG HB2 H 1 1.74 0.02 . 2 . . . . 123 ARG HB2 . 15776 1
995 . 1 1 123 123 ARG HB3 H 1 1.91 0.02 . 2 . . . . 123 ARG HB3 . 15776 1
996 . 1 1 123 123 ARG HD3 H 1 3.25 0.02 . 1 . . . . 123 ARG HD3 . 15776 1
997 . 1 1 123 123 ARG HG2 H 1 1.37 0.02 . 2 . . . . 123 ARG HG2 . 15776 1
998 . 1 1 123 123 ARG HG3 H 1 1.65 0.02 . 2 . . . . 123 ARG HG3 . 15776 1
999 . 1 1 123 123 ARG CA C 13 57.9 0.3 . 1 . . . . 123 ARG CA . 15776 1
1000 . 1 1 123 123 ARG CB C 13 32.4 0.3 . 1 . . . . 123 ARG CB . 15776 1
1001 . 1 1 123 123 ARG CD C 13 44.3 0.3 . 1 . . . . 123 ARG CD . 15776 1
1002 . 1 1 123 123 ARG CG C 13 27.9 0.3 . 1 . . . . 123 ARG CG . 15776 1
1003 . 1 1 123 123 ARG N N 15 126.3 0.3 . 1 . . . . 123 ARG N . 15776 1
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