data_16111
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16111
_Entry.Title
;
Sequence-specific 1H, 15N and 13C resonance assignments of Art v 1: a proline-rich allergen of Artemisia vulgaris pollen
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2009-01-08
_Entry.Accession_date 2009-01-08
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.8.125
_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 Guilherme Razzera . . . 16111
2 Gabriele Gadermaier . . . 16111
3 Marcius Almeida . . . 16111
4 Fatima Ferreira . . . 16111
5 Fabio Almeida . . . 16111
6 'Ana Paula' Valente . . . 16111
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
. . 'Christian Doppler Laboratory for Allergy Diagnosis and Therapy' . 16111
. . 'University of Salzburg, Austria' . 16111
. . 'Universidade Federal do Rio de Janeiro - UFRJ' . 16111
1 . 'Centro Nacional de Ressonancia Magnetica Nuclear- Jiri Jonas- CNRMN' . 16111
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 16111
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 293 16111
'15N chemical shifts' 106 16111
'1H chemical shifts' 603 16111
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
4 . . 2010-04-15 2009-01-08 update BMRB 'added related PDB ID' 16111
3 . . 2009-08-20 2009-01-08 update BMRB 'added PubMed ID' 16111
2 . . 2009-06-05 2009-01-08 update BMRB 'completed entry citation' 16111
1 . . 2009-03-17 2009-01-08 original author 'original release' 16111
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2KPY 'BMRB Entry Tracking System' 16111
stop_
save_
###############
# Citations #
###############
save_Citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode Citation_1
_Citation.Entry_ID 16111
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI 10.1007/s12104-009-9151-y
_Citation.PubMed_ID 19636957
_Citation.Full_citation .
_Citation.Title 'Sequence-specific 1H, 15N and 13C resonance assignments of Art v 1: a proline-rich allergen of Artemisia vulgaris pollen'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Biomol. NMR Assignments'
_Citation.Journal_name_full 'Biomolecular NMR Assignments'
_Citation.Journal_volume 3
_Citation.Journal_issue 1
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 103
_Citation.Page_last 106
_Citation.Year 2009
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Guilherme Razzera . . . 16111 1
2 Gabriele Gadermaier . . . 16111 1
3 Marcius Almeida . S. . 16111 1
4 Fatima Ferreira . . . 16111 1
5 Fabio Almeida . C.L. . 16111 1
6 'Ana Paula' Valente . . . 16111 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'Artemisia vulgaris' 16111 1
'Art v 1' 16111 1
'pollen allergen' 16111 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 16111
_Assembly.ID 1
_Assembly.Name 'Art v 1- the major allergen of Artemisia vulgaris'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass 10800
_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 'Art v 1' 1 $Art_v_1 A . yes native no no . . . 16111 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 disulfide single . 1 'Art v 1' 1 CYS 6 6 SG . 1 'Art v 1' 1 CYS 53 53 SG . . . . . . . . . . 16111 1
2 disulfide single . 1 'Art v 1' 1 CYS 17 17 SG . 1 'Art v 1' 1 CYS 37 37 SG . . . . . . . . . . 16111 1
3 disulfide single . 1 'Art v 1' 1 CYS 22 22 SG . 1 'Art v 1' 1 CYS 47 47 SG . . . . . . . . . . 16111 1
4 disulfide single . 1 'Art v 1' 1 CYS 26 26 SG . 1 'Art v 1' 1 CYS 49 49 SG . . . . . . . . . . 16111 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_Art_v_1
_Entity.Sf_category entity
_Entity.Sf_framecode Art_v_1
_Entity.Entry_ID 16111
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name Art_v_1
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
AGSKLCEKTSKTYSGKCDNK
KCDKKCIEWEKAQHGACHKR
EAGKESCFCYFDCSKSPPGA
TPAPPGAAPPPAAGGSPSPP
ADGGSPPPPADGGSPPVDGG
SPPPPSTH
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details 'Proline-rich allergen of Artemisia vulgaris pollen'
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 108
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all disulfide bound'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment 'Major allergen of Artemisia vulgaris - Art v 1'
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 10800.0
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
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 2KPY . "Solution Structure Of The Major Allergen Of Artemisia Vulgaris (Art V 1)" . . . . . 100.00 108 100.00 100.00 4.48e-65 . . . . 16111 1
2 no GB AAO24900 . "major pollen allergen Art v 1 precursor [Artemisia vulgaris]" . . . . . 100.00 132 100.00 100.00 8.27e-66 . . . . 16111 1
3 no GB AAQ07455 . "major pollen allergen Artv1 [synthetic construct]" . . . . . 100.00 109 100.00 100.00 4.15e-65 . . . . 16111 1
4 no GB AHF71025 . "major pollen allergen Art v 1-like protein, partial [Artemisia ludoviciana]" . . . . . 100.00 108 97.22 97.22 8.97e-63 . . . . 16111 1
5 no SP Q84ZX5 . "RecName: Full=Major pollen allergen Art v 1; AltName: Full=Defensin-like protein 1; AltName: Allergen=Art v 1; Flags: Precursor" . . . . . 100.00 132 100.00 100.00 8.27e-66 . . . . 16111 1
stop_
loop_
_Entity_biological_function.Biological_function
_Entity_biological_function.Entry_ID
_Entity_biological_function.Entity_ID
Allergen 16111 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . ALA . 16111 1
2 . GLY . 16111 1
3 . SER . 16111 1
4 . LYS . 16111 1
5 . LEU . 16111 1
6 . CYS . 16111 1
7 . GLU . 16111 1
8 . LYS . 16111 1
9 . THR . 16111 1
10 . SER . 16111 1
11 . LYS . 16111 1
12 . THR . 16111 1
13 . TYR . 16111 1
14 . SER . 16111 1
15 . GLY . 16111 1
16 . LYS . 16111 1
17 . CYS . 16111 1
18 . ASP . 16111 1
19 . ASN . 16111 1
20 . LYS . 16111 1
21 . LYS . 16111 1
22 . CYS . 16111 1
23 . ASP . 16111 1
24 . LYS . 16111 1
25 . LYS . 16111 1
26 . CYS . 16111 1
27 . ILE . 16111 1
28 . GLU . 16111 1
29 . TRP . 16111 1
30 . GLU . 16111 1
31 . LYS . 16111 1
32 . ALA . 16111 1
33 . GLN . 16111 1
34 . HIS . 16111 1
35 . GLY . 16111 1
36 . ALA . 16111 1
37 . CYS . 16111 1
38 . HIS . 16111 1
39 . LYS . 16111 1
40 . ARG . 16111 1
41 . GLU . 16111 1
42 . ALA . 16111 1
43 . GLY . 16111 1
44 . LYS . 16111 1
45 . GLU . 16111 1
46 . SER . 16111 1
47 . CYS . 16111 1
48 . PHE . 16111 1
49 . CYS . 16111 1
50 . TYR . 16111 1
51 . PHE . 16111 1
52 . ASP . 16111 1
53 . CYS . 16111 1
54 . SER . 16111 1
55 . LYS . 16111 1
56 . SER . 16111 1
57 . PRO . 16111 1
58 . PRO . 16111 1
59 . GLY . 16111 1
60 . ALA . 16111 1
61 . THR . 16111 1
62 . PRO . 16111 1
63 . ALA . 16111 1
64 . PRO . 16111 1
65 . PRO . 16111 1
66 . GLY . 16111 1
67 . ALA . 16111 1
68 . ALA . 16111 1
69 . PRO . 16111 1
70 . PRO . 16111 1
71 . PRO . 16111 1
72 . ALA . 16111 1
73 . ALA . 16111 1
74 . GLY . 16111 1
75 . GLY . 16111 1
76 . SER . 16111 1
77 . PRO . 16111 1
78 . SER . 16111 1
79 . PRO . 16111 1
80 . PRO . 16111 1
81 . ALA . 16111 1
82 . ASP . 16111 1
83 . GLY . 16111 1
84 . GLY . 16111 1
85 . SER . 16111 1
86 . PRO . 16111 1
87 . PRO . 16111 1
88 . PRO . 16111 1
89 . PRO . 16111 1
90 . ALA . 16111 1
91 . ASP . 16111 1
92 . GLY . 16111 1
93 . GLY . 16111 1
94 . SER . 16111 1
95 . PRO . 16111 1
96 . PRO . 16111 1
97 . VAL . 16111 1
98 . ASP . 16111 1
99 . GLY . 16111 1
100 . GLY . 16111 1
101 . SER . 16111 1
102 . PRO . 16111 1
103 . PRO . 16111 1
104 . PRO . 16111 1
105 . PRO . 16111 1
106 . SER . 16111 1
107 . THR . 16111 1
108 . HIS . 16111 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. ALA 1 1 16111 1
. GLY 2 2 16111 1
. SER 3 3 16111 1
. LYS 4 4 16111 1
. LEU 5 5 16111 1
. CYS 6 6 16111 1
. GLU 7 7 16111 1
. LYS 8 8 16111 1
. THR 9 9 16111 1
. SER 10 10 16111 1
. LYS 11 11 16111 1
. THR 12 12 16111 1
. TYR 13 13 16111 1
. SER 14 14 16111 1
. GLY 15 15 16111 1
. LYS 16 16 16111 1
. CYS 17 17 16111 1
. ASP 18 18 16111 1
. ASN 19 19 16111 1
. LYS 20 20 16111 1
. LYS 21 21 16111 1
. CYS 22 22 16111 1
. ASP 23 23 16111 1
. LYS 24 24 16111 1
. LYS 25 25 16111 1
. CYS 26 26 16111 1
. ILE 27 27 16111 1
. GLU 28 28 16111 1
. TRP 29 29 16111 1
. GLU 30 30 16111 1
. LYS 31 31 16111 1
. ALA 32 32 16111 1
. GLN 33 33 16111 1
. HIS 34 34 16111 1
. GLY 35 35 16111 1
. ALA 36 36 16111 1
. CYS 37 37 16111 1
. HIS 38 38 16111 1
. LYS 39 39 16111 1
. ARG 40 40 16111 1
. GLU 41 41 16111 1
. ALA 42 42 16111 1
. GLY 43 43 16111 1
. LYS 44 44 16111 1
. GLU 45 45 16111 1
. SER 46 46 16111 1
. CYS 47 47 16111 1
. PHE 48 48 16111 1
. CYS 49 49 16111 1
. TYR 50 50 16111 1
. PHE 51 51 16111 1
. ASP 52 52 16111 1
. CYS 53 53 16111 1
. SER 54 54 16111 1
. LYS 55 55 16111 1
. SER 56 56 16111 1
. PRO 57 57 16111 1
. PRO 58 58 16111 1
. GLY 59 59 16111 1
. ALA 60 60 16111 1
. THR 61 61 16111 1
. PRO 62 62 16111 1
. ALA 63 63 16111 1
. PRO 64 64 16111 1
. PRO 65 65 16111 1
. GLY 66 66 16111 1
. ALA 67 67 16111 1
. ALA 68 68 16111 1
. PRO 69 69 16111 1
. PRO 70 70 16111 1
. PRO 71 71 16111 1
. ALA 72 72 16111 1
. ALA 73 73 16111 1
. GLY 74 74 16111 1
. GLY 75 75 16111 1
. SER 76 76 16111 1
. PRO 77 77 16111 1
. SER 78 78 16111 1
. PRO 79 79 16111 1
. PRO 80 80 16111 1
. ALA 81 81 16111 1
. ASP 82 82 16111 1
. GLY 83 83 16111 1
. GLY 84 84 16111 1
. SER 85 85 16111 1
. PRO 86 86 16111 1
. PRO 87 87 16111 1
. PRO 88 88 16111 1
. PRO 89 89 16111 1
. ALA 90 90 16111 1
. ASP 91 91 16111 1
. GLY 92 92 16111 1
. GLY 93 93 16111 1
. SER 94 94 16111 1
. PRO 95 95 16111 1
. PRO 96 96 16111 1
. VAL 97 97 16111 1
. ASP 98 98 16111 1
. GLY 99 99 16111 1
. GLY 100 100 16111 1
. SER 101 101 16111 1
. PRO 102 102 16111 1
. PRO 103 103 16111 1
. PRO 104 104 16111 1
. PRO 105 105 16111 1
. SER 106 106 16111 1
. THR 107 107 16111 1
. HIS 108 108 16111 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 16111
_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 $Art_v_1 . 4220 organism . 'Artemisia vulgaris' 'common wormwood' . . Eukaryota Viridiplantae Artemisia vulgaris . . . . . . . . . . . . . . . . . . . . . 16111 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 16111
_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 $Art_v_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta-gami B(DE3)pLysS' . . . . . . . . . . . . . . . 'pHIS parellel2' . . . . . . 16111 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 16111
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'Art v 1' '[U-99% 13C; U-99% 15N]' . . 1 $Art_v_1 . . 1 . . mM . . . . 16111 1
2 'Potassium Acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 16111 1
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 16111
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.01 . M 16111 1
pH 5.3 . pH 16111 1
pressure 1 . atm 16111 1
temperature 298 . K 16111 1
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Software.Sf_category software
_Software.Sf_framecode TOPSPIN
_Software.Entry_ID 16111
_Software.ID 1
_Software.Name TOPSPIN
_Software.Version 2.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bruker Biospin' . . 16111 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 16111 1
'data analysis' 16111 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 16111
_Software.ID 2
_Software.Name NMRPipe
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16111 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 16111 2
stop_
save_
save_Cara
_Software.Sf_category software
_Software.Sf_framecode Cara
_Software.Entry_ID 16111
_Software.ID 3
_Software.Name CARA
_Software.Version 1.84
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Keller and Wuthrich' . . 16111 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 16111 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 16111
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 16111
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
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 16111
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker Avance . 600 . . . 16111 1
2 spectrometer_2 Bruker Avance . 800 . . . 16111 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 16111
_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 . . . . . . . . . . . . . . . . 16111 1
2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16111 1
3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16111 1
4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16111 1
5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16111 1
6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16111 1
7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16111 1
8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16111 1
9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16111 1
10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16111 1
11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16111 1
12 HCAN no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16111 1
13 HCACON no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16111 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 16111
_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 0.00 . indirect 0.251449530 . . . . . . . . . 16111 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16111 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16111 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_artv1_BMRB
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode artv1_BMRB
_Assigned_chem_shift_list.Entry_ID 16111
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.3
_Assigned_chem_shift_list.Chem_shift_15N_err 0.3
_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
9 '3D 1H-15N NOESY' . . . 16111 1
10 '3D 1H-13C NOESY' . . . 16111 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 ALA HA H 1 4.332 0.020 . 1 . . . . 1 ALA HA . 16111 1
2 . 1 1 1 1 ALA HB1 H 1 1.399 0.020 . 1 . . . . 1 ALA QB . 16111 1
3 . 1 1 1 1 ALA HB2 H 1 1.399 0.020 . 1 . . . . 1 ALA QB . 16111 1
4 . 1 1 1 1 ALA HB3 H 1 1.399 0.020 . 1 . . . . 1 ALA QB . 16111 1
5 . 1 1 1 1 ALA CA C 13 52.176 0.300 . 1 . . . . 1 ALA CA . 16111 1
6 . 1 1 1 1 ALA CB C 13 19.040 0.300 . 1 . . . . 1 ALA CB . 16111 1
7 . 1 1 2 2 GLY H H 1 8.402 0.020 . 1 . . . . 2 GLY H . 16111 1
8 . 1 1 2 2 GLY HA2 H 1 4.045 0.020 . 1 . . . . 2 GLY QA . 16111 1
9 . 1 1 2 2 GLY HA3 H 1 4.045 0.020 . 1 . . . . 2 GLY QA . 16111 1
10 . 1 1 2 2 GLY CA C 13 44.880 0.300 . 1 . . . . 2 GLY CA . 16111 1
11 . 1 1 2 2 GLY N N 15 108.154 0.300 . 1 . . . . 2 GLY N . 16111 1
12 . 1 1 3 3 SER H H 1 8.349 0.020 . 1 . . . . 3 SER H . 16111 1
13 . 1 1 3 3 SER HA H 1 4.502 0.020 . 1 . . . . 3 SER HA . 16111 1
14 . 1 1 3 3 SER HB2 H 1 3.867 0.020 . 1 . . . . 3 SER QB . 16111 1
15 . 1 1 3 3 SER HB3 H 1 3.867 0.020 . 1 . . . . 3 SER QB . 16111 1
16 . 1 1 3 3 SER CA C 13 58.019 0.300 . 1 . . . . 3 SER CA . 16111 1
17 . 1 1 3 3 SER CB C 13 63.109 0.300 . 1 . . . . 3 SER CB . 16111 1
18 . 1 1 3 3 SER N N 15 115.830 0.300 . 1 . . . . 3 SER N . 16111 1
19 . 1 1 4 4 LYS H H 1 8.502 0.020 . 1 . . . . 4 LYS H . 16111 1
20 . 1 1 4 4 LYS HA H 1 4.420 0.020 . 1 . . . . 4 LYS HA . 16111 1
21 . 1 1 4 4 LYS HB2 H 1 1.855 0.020 . 2 . . . . 4 LYS HB2 . 16111 1
22 . 1 1 4 4 LYS HB3 H 1 1.768 0.020 . 2 . . . . 4 LYS HB3 . 16111 1
23 . 1 1 4 4 LYS HD2 H 1 1.704 0.020 . 1 . . . . 4 LYS QD . 16111 1
24 . 1 1 4 4 LYS HD3 H 1 1.704 0.020 . 1 . . . . 4 LYS QD . 16111 1
25 . 1 1 4 4 LYS HE2 H 1 3.055 0.020 . 1 . . . . 4 LYS QE . 16111 1
26 . 1 1 4 4 LYS HE3 H 1 3.055 0.020 . 1 . . . . 4 LYS QE . 16111 1
27 . 1 1 4 4 LYS HG2 H 1 1.509 0.020 . 2 . . . . 4 LYS HG2 . 16111 1
28 . 1 1 4 4 LYS HG3 H 1 1.459 0.020 . 2 . . . . 4 LYS HG3 . 16111 1
29 . 1 1 4 4 LYS CA C 13 56.241 0.300 . 1 . . . . 4 LYS CA . 16111 1
30 . 1 1 4 4 LYS CB C 13 33.477 0.300 . 1 . . . . 4 LYS CB . 16111 1
31 . 1 1 4 4 LYS CD C 13 28.843 0.300 . 1 . . . . 4 LYS CD . 16111 1
32 . 1 1 4 4 LYS CE C 13 41.862 0.300 . 1 . . . . 4 LYS CE . 16111 1
33 . 1 1 4 4 LYS CG C 13 24.679 0.300 . 1 . . . . 4 LYS CG . 16111 1
34 . 1 1 4 4 LYS N N 15 123.773 0.300 . 1 . . . . 4 LYS N . 16111 1
35 . 1 1 5 5 LEU H H 1 8.494 0.020 . 1 . . . . 5 LEU H . 16111 1
36 . 1 1 5 5 LEU HA H 1 5.089 0.020 . 1 . . . . 5 LEU HA . 16111 1
37 . 1 1 5 5 LEU HB2 H 1 1.834 0.020 . 2 . . . . 5 LEU HB2 . 16111 1
38 . 1 1 5 5 LEU HB3 H 1 1.482 0.020 . 2 . . . . 5 LEU HB3 . 16111 1
39 . 1 1 5 5 LEU HD11 H 1 0.819 0.020 . 2 . . . . 5 LEU QD1 . 16111 1
40 . 1 1 5 5 LEU HD12 H 1 0.819 0.020 . 2 . . . . 5 LEU QD1 . 16111 1
41 . 1 1 5 5 LEU HD13 H 1 0.819 0.020 . 2 . . . . 5 LEU QD1 . 16111 1
42 . 1 1 5 5 LEU HD21 H 1 0.855 0.020 . 2 . . . . 5 LEU QD2 . 16111 1
43 . 1 1 5 5 LEU HD22 H 1 0.855 0.020 . 2 . . . . 5 LEU QD2 . 16111 1
44 . 1 1 5 5 LEU HD23 H 1 0.855 0.020 . 2 . . . . 5 LEU QD2 . 16111 1
45 . 1 1 5 5 LEU HG H 1 1.719 0.020 . 1 . . . . 5 LEU HG . 16111 1
46 . 1 1 5 5 LEU CA C 13 53.980 0.300 . 1 . . . . 5 LEU CA . 16111 1
47 . 1 1 5 5 LEU CB C 13 44.033 0.300 . 1 . . . . 5 LEU CB . 16111 1
48 . 1 1 5 5 LEU CD1 C 13 25.653 0.300 . 1 . . . . 5 LEU CD1 . 16111 1
49 . 1 1 5 5 LEU CD2 C 13 25.653 0.300 . 1 . . . . 5 LEU CD2 . 16111 1
50 . 1 1 5 5 LEU CG C 13 28.781 0.300 . 1 . . . . 5 LEU CG . 16111 1
51 . 1 1 5 5 LEU N N 15 122.895 0.300 . 1 . . . . 5 LEU N . 16111 1
52 . 1 1 6 6 CYS H H 1 9.662 0.020 . 1 . . . . 6 CYS H . 16111 1
53 . 1 1 6 6 CYS HA H 1 5.174 0.020 . 1 . . . . 6 CYS HA . 16111 1
54 . 1 1 6 6 CYS HB2 H 1 2.980 0.020 . 2 . . . . 6 CYS HB2 . 16111 1
55 . 1 1 6 6 CYS HB3 H 1 2.801 0.020 . 2 . . . . 6 CYS HB3 . 16111 1
56 . 1 1 6 6 CYS CA C 13 59.357 0.300 . 1 . . . . 6 CYS CA . 16111 1
57 . 1 1 6 6 CYS CB C 13 40.925 0.300 . 1 . . . . 6 CYS CB . 16111 1
58 . 1 1 6 6 CYS N N 15 121.953 0.300 . 1 . . . . 6 CYS N . 16111 1
59 . 1 1 7 7 GLU H H 1 9.268 0.020 . 1 . . . . 7 GLU H . 16111 1
60 . 1 1 7 7 GLU HA H 1 4.781 0.020 . 1 . . . . 7 GLU HA . 16111 1
61 . 1 1 7 7 GLU HB2 H 1 1.936 0.020 . 2 . . . . 7 GLU HB2 . 16111 1
62 . 1 1 7 7 GLU HB3 H 1 1.784 0.020 . 2 . . . . 7 GLU HB3 . 16111 1
63 . 1 1 7 7 GLU HG2 H 1 2.852 0.020 . 2 . . . . 7 GLU HG2 . 16111 1
64 . 1 1 7 7 GLU HG3 H 1 2.650 0.020 . 2 . . . . 7 GLU HG3 . 16111 1
65 . 1 1 7 7 GLU CA C 13 54.955 0.300 . 1 . . . . 7 GLU CA . 16111 1
66 . 1 1 7 7 GLU CB C 13 33.438 0.300 . 1 . . . . 7 GLU CB . 16111 1
67 . 1 1 7 7 GLU CG C 13 40.946 0.300 . 1 . . . . 7 GLU CG . 16111 1
68 . 1 1 7 7 GLU N N 15 124.996 0.300 . 1 . . . . 7 GLU N . 16111 1
69 . 1 1 8 8 LYS H H 1 9.129 0.020 . 1 . . . . 8 LYS H . 16111 1
70 . 1 1 8 8 LYS HA H 1 4.809 0.020 . 1 . . . . 8 LYS HA . 16111 1
71 . 1 1 8 8 LYS HB2 H 1 1.980 0.020 . 2 . . . . 8 LYS HB2 . 16111 1
72 . 1 1 8 8 LYS HB3 H 1 1.702 0.020 . 2 . . . . 8 LYS HB3 . 16111 1
73 . 1 1 8 8 LYS HD2 H 1 1.556 0.020 . 1 . . . . 8 LYS QD . 16111 1
74 . 1 1 8 8 LYS HD3 H 1 1.556 0.020 . 1 . . . . 8 LYS QD . 16111 1
75 . 1 1 8 8 LYS HE2 H 1 3.265 0.020 . 1 . . . . 8 LYS QE . 16111 1
76 . 1 1 8 8 LYS HE3 H 1 3.265 0.020 . 1 . . . . 8 LYS QE . 16111 1
77 . 1 1 8 8 LYS HG2 H 1 1.471 0.020 . 1 . . . . 8 LYS QG . 16111 1
78 . 1 1 8 8 LYS HG3 H 1 1.471 0.020 . 1 . . . . 8 LYS QG . 16111 1
79 . 1 1 8 8 LYS CA C 13 54.795 0.300 . 1 . . . . 8 LYS CA . 16111 1
80 . 1 1 8 8 LYS CB C 13 36.867 0.300 . 1 . . . . 8 LYS CB . 16111 1
81 . 1 1 8 8 LYS CD C 13 28.902 0.300 . 1 . . . . 8 LYS CD . 16111 1
82 . 1 1 8 8 LYS CE C 13 43.057 0.300 . 1 . . . . 8 LYS CE . 16111 1
83 . 1 1 8 8 LYS CG C 13 24.456 0.300 . 1 . . . . 8 LYS CG . 16111 1
84 . 1 1 8 8 LYS N N 15 124.794 0.300 . 1 . . . . 8 LYS N . 16111 1
85 . 1 1 9 9 THR H H 1 8.824 0.020 . 1 . . . . 9 THR H . 16111 1
86 . 1 1 9 9 THR HA H 1 3.596 0.020 . 1 . . . . 9 THR HA . 16111 1
87 . 1 1 9 9 THR HB H 1 3.883 0.020 . 1 . . . . 9 THR HB . 16111 1
88 . 1 1 9 9 THR HG21 H 1 1.068 0.020 . 1 . . . . 9 THR QG2 . 16111 1
89 . 1 1 9 9 THR HG22 H 1 1.068 0.020 . 1 . . . . 9 THR QG2 . 16111 1
90 . 1 1 9 9 THR HG23 H 1 1.068 0.020 . 1 . . . . 9 THR QG2 . 16111 1
91 . 1 1 9 9 THR CA C 13 63.908 0.300 . 1 . . . . 9 THR CA . 16111 1
92 . 1 1 9 9 THR CB C 13 68.403 0.300 . 1 . . . . 9 THR CB . 16111 1
93 . 1 1 9 9 THR CG2 C 13 21.254 0.300 . 1 . . . . 9 THR CG2 . 16111 1
94 . 1 1 9 9 THR N N 15 120.055 0.300 . 1 . . . . 9 THR N . 16111 1
95 . 1 1 10 10 SER H H 1 8.595 0.020 . 1 . . . . 10 SER H . 16111 1
96 . 1 1 10 10 SER HA H 1 4.602 0.020 . 1 . . . . 10 SER HA . 16111 1
97 . 1 1 10 10 SER HB2 H 1 3.954 0.020 . 2 . . . . 10 SER HB2 . 16111 1
98 . 1 1 10 10 SER HB3 H 1 3.463 0.020 . 2 . . . . 10 SER HB3 . 16111 1
99 . 1 1 10 10 SER CA C 13 58.399 0.300 . 1 . . . . 10 SER CA . 16111 1
100 . 1 1 10 10 SER CB C 13 63.742 0.300 . 1 . . . . 10 SER CB . 16111 1
101 . 1 1 10 10 SER N N 15 120.150 0.300 . 1 . . . . 10 SER N . 16111 1
102 . 1 1 11 11 LYS H H 1 10.138 0.020 . 1 . . . . 11 LYS H . 16111 1
103 . 1 1 11 11 LYS HA H 1 4.380 0.020 . 1 . . . . 11 LYS HA . 16111 1
104 . 1 1 11 11 LYS HB2 H 1 1.722 0.020 . 2 . . . . 11 LYS HB2 . 16111 1
105 . 1 1 11 11 LYS HB3 H 1 1.765 0.020 . 2 . . . . 11 LYS HB3 . 16111 1
106 . 1 1 11 11 LYS HD2 H 1 1.620 0.020 . 2 . . . . 11 LYS HD2 . 16111 1
107 . 1 1 11 11 LYS HD3 H 1 1.524 0.020 . 2 . . . . 11 LYS HD3 . 16111 1
108 . 1 1 11 11 LYS HE2 H 1 2.980 0.020 . 1 . . . . 11 LYS QE . 16111 1
109 . 1 1 11 11 LYS HE3 H 1 2.980 0.020 . 1 . . . . 11 LYS QE . 16111 1
110 . 1 1 11 11 LYS HG2 H 1 1.479 0.020 . 1 . . . . 11 LYS QG . 16111 1
111 . 1 1 11 11 LYS HG3 H 1 1.479 0.020 . 1 . . . . 11 LYS QG . 16111 1
112 . 1 1 11 11 LYS CA C 13 56.958 0.300 . 1 . . . . 11 LYS CA . 16111 1
113 . 1 1 11 11 LYS CB C 13 33.126 0.300 . 1 . . . . 11 LYS CB . 16111 1
114 . 1 1 11 11 LYS CD C 13 24.686 0.300 . 1 . . . . 11 LYS CD . 16111 1
115 . 1 1 11 11 LYS CE C 13 41.909 0.300 . 1 . . . . 11 LYS CE . 16111 1
116 . 1 1 11 11 LYS CG C 13 24.666 0.300 . 1 . . . . 11 LYS CG . 16111 1
117 . 1 1 11 11 LYS N N 15 130.957 0.300 . 1 . . . . 11 LYS N . 16111 1
118 . 1 1 12 12 THR H H 1 8.367 0.020 . 1 . . . . 12 THR H . 16111 1
119 . 1 1 12 12 THR HA H 1 4.353 0.020 . 1 . . . . 12 THR HA . 16111 1
120 . 1 1 12 12 THR HB H 1 3.997 0.020 . 1 . . . . 12 THR HB . 16111 1
121 . 1 1 12 12 THR HG21 H 1 1.151 0.020 . 1 . . . . 12 THR QG2 . 16111 1
122 . 1 1 12 12 THR HG22 H 1 1.151 0.020 . 1 . . . . 12 THR QG2 . 16111 1
123 . 1 1 12 12 THR HG23 H 1 1.151 0.020 . 1 . . . . 12 THR QG2 . 16111 1
124 . 1 1 12 12 THR CA C 13 62.494 0.300 . 1 . . . . 12 THR CA . 16111 1
125 . 1 1 12 12 THR CB C 13 70.099 0.300 . 1 . . . . 12 THR CB . 16111 1
126 . 1 1 12 12 THR CG2 C 13 22.003 0.300 . 1 . . . . 12 THR CG2 . 16111 1
127 . 1 1 12 12 THR N N 15 108.146 0.300 . 1 . . . . 12 THR N . 16111 1
128 . 1 1 13 13 TYR H H 1 8.104 0.020 . 1 . . . . 13 TYR H . 16111 1
129 . 1 1 13 13 TYR HA H 1 3.782 0.020 . 1 . . . . 13 TYR HA . 16111 1
130 . 1 1 13 13 TYR HB2 H 1 2.998 0.020 . 2 . . . . 13 TYR HB2 . 16111 1
131 . 1 1 13 13 TYR HB3 H 1 2.803 0.020 . 2 . . . . 13 TYR HB3 . 16111 1
132 . 1 1 13 13 TYR HD1 H 1 6.848 0.020 . 1 . . . . 13 TYR QD . 16111 1
133 . 1 1 13 13 TYR HD2 H 1 6.848 0.020 . 1 . . . . 13 TYR QD . 16111 1
134 . 1 1 13 13 TYR HE1 H 1 6.390 0.020 . 1 . . . . 13 TYR QE . 16111 1
135 . 1 1 13 13 TYR HE2 H 1 6.390 0.020 . 1 . . . . 13 TYR QE . 16111 1
136 . 1 1 13 13 TYR CA C 13 60.140 0.300 . 1 . . . . 13 TYR CA . 16111 1
137 . 1 1 13 13 TYR CB C 13 38.305 0.300 . 1 . . . . 13 TYR CB . 16111 1
138 . 1 1 13 13 TYR CD1 C 13 131.058 0.300 . 1 . . . . 13 TYR CD1 . 16111 1
139 . 1 1 13 13 TYR N N 15 125.623 0.300 . 1 . . . . 13 TYR N . 16111 1
140 . 1 1 14 14 SER H H 1 7.451 0.020 . 1 . . . . 14 SER H . 16111 1
141 . 1 1 14 14 SER HA H 1 4.671 0.020 . 1 . . . . 14 SER HA . 16111 1
142 . 1 1 14 14 SER HB2 H 1 3.573 0.020 . 2 . . . . 14 SER HB2 . 16111 1
143 . 1 1 14 14 SER HB3 H 1 3.628 0.020 . 2 . . . . 14 SER HB3 . 16111 1
144 . 1 1 14 14 SER CA C 13 56.830 0.300 . 1 . . . . 14 SER CA . 16111 1
145 . 1 1 14 14 SER CB C 13 65.287 0.300 . 1 . . . . 14 SER CB . 16111 1
146 . 1 1 14 14 SER N N 15 122.438 0.300 . 1 . . . . 14 SER N . 16111 1
147 . 1 1 15 15 GLY H H 1 8.427 0.020 . 1 . . . . 15 GLY H . 16111 1
148 . 1 1 15 15 GLY HA2 H 1 4.197 0.020 . 2 . . . . 15 GLY HA2 . 16111 1
149 . 1 1 15 15 GLY HA3 H 1 3.716 0.020 . 2 . . . . 15 GLY HA3 . 16111 1
150 . 1 1 15 15 GLY CA C 13 43.379 0.300 . 1 . . . . 15 GLY CA . 16111 1
151 . 1 1 15 15 GLY N N 15 109.819 0.300 . 1 . . . . 15 GLY N . 16111 1
152 . 1 1 16 16 LYS H H 1 8.446 0.020 . 1 . . . . 16 LYS H . 16111 1
153 . 1 1 16 16 LYS HA H 1 4.155 0.020 . 1 . . . . 16 LYS HA . 16111 1
154 . 1 1 16 16 LYS HB2 H 1 1.814 0.020 . 2 . . . . 16 LYS HB2 . 16111 1
155 . 1 1 16 16 LYS HB3 H 1 1.750 0.020 . 2 . . . . 16 LYS HB3 . 16111 1
156 . 1 1 16 16 LYS HE2 H 1 3.053 0.020 . 1 . . . . 16 LYS QE . 16111 1
157 . 1 1 16 16 LYS HE3 H 1 3.053 0.020 . 1 . . . . 16 LYS QE . 16111 1
158 . 1 1 16 16 LYS HG2 H 1 1.489 0.020 . 2 . . . . 16 LYS HG2 . 16111 1
159 . 1 1 16 16 LYS HG3 H 1 1.388 0.020 . 2 . . . . 16 LYS HG3 . 16111 1
160 . 1 1 16 16 LYS CA C 13 56.911 0.300 . 1 . . . . 16 LYS CA . 16111 1
161 . 1 1 16 16 LYS CB C 13 32.077 0.300 . 1 . . . . 16 LYS CB . 16111 1
162 . 1 1 16 16 LYS CE C 13 41.854 0.300 . 1 . . . . 16 LYS CE . 16111 1
163 . 1 1 16 16 LYS CG C 13 24.644 0.300 . 1 . . . . 16 LYS CG . 16111 1
164 . 1 1 16 16 LYS N N 15 120.128 0.300 . 1 . . . . 16 LYS N . 16111 1
165 . 1 1 17 17 CYS HA H 1 4.060 0.020 . 1 . . . . 17 CYS HA . 16111 1
166 . 1 1 17 17 CYS HB2 H 1 2.850 0.020 . 2 . . . . 17 CYS HB2 . 16111 1
167 . 1 1 17 17 CYS HB3 H 1 2.710 0.020 . 2 . . . . 17 CYS HB3 . 16111 1
168 . 1 1 17 17 CYS CA C 13 62.022 0.300 . 1 . . . . 17 CYS CA . 16111 1
169 . 1 1 17 17 CYS CB C 13 39.436 0.300 . 1 . . . . 17 CYS CB . 16111 1
170 . 1 1 18 18 ASP H H 1 7.400 0.020 . 1 . . . . 18 ASP H . 16111 1
171 . 1 1 18 18 ASP HA H 1 4.926 0.020 . 1 . . . . 18 ASP HA . 16111 1
172 . 1 1 18 18 ASP HB2 H 1 2.726 0.020 . 2 . . . . 18 ASP HB2 . 16111 1
173 . 1 1 18 18 ASP HB3 H 1 2.597 0.020 . 2 . . . . 18 ASP HB3 . 16111 1
174 . 1 1 18 18 ASP CA C 13 52.678 0.300 . 1 . . . . 18 ASP CA . 16111 1
175 . 1 1 18 18 ASP CB C 13 45.472 0.300 . 1 . . . . 18 ASP CB . 16111 1
176 . 1 1 18 18 ASP N N 15 131.327 0.300 . 1 . . . . 18 ASP N . 16111 1
177 . 1 1 19 19 ASN H H 1 9.396 0.020 . 1 . . . . 19 ASN H . 16111 1
178 . 1 1 19 19 ASN HA H 1 4.253 0.020 . 1 . . . . 19 ASN HA . 16111 1
179 . 1 1 19 19 ASN HB2 H 1 2.869 0.020 . 2 . . . . 19 ASN HB2 . 16111 1
180 . 1 1 19 19 ASN HB3 H 1 2.787 0.020 . 2 . . . . 19 ASN HB3 . 16111 1
181 . 1 1 19 19 ASN HD21 H 1 7.561 0.020 . 2 . . . . 19 ASN HD21 . 16111 1
182 . 1 1 19 19 ASN HD22 H 1 7.077 0.020 . 2 . . . . 19 ASN HD22 . 16111 1
183 . 1 1 19 19 ASN CA C 13 57.973 0.300 . 1 . . . . 19 ASN CA . 16111 1
184 . 1 1 19 19 ASN CB C 13 38.280 0.300 . 1 . . . . 19 ASN CB . 16111 1
185 . 1 1 19 19 ASN N N 15 127.621 0.300 . 1 . . . . 19 ASN N . 16111 1
186 . 1 1 19 19 ASN ND2 N 15 113.016 0.300 . 1 . . . . 19 ASN ND2 . 16111 1
187 . 1 1 20 20 LYS H H 1 8.235 0.020 . 1 . . . . 20 LYS H . 16111 1
188 . 1 1 20 20 LYS HA H 1 4.224 0.020 . 1 . . . . 20 LYS HA . 16111 1
189 . 1 1 20 20 LYS HB2 H 1 1.988 0.020 . 2 . . . . 20 LYS HB2 . 16111 1
190 . 1 1 20 20 LYS HB3 H 1 1.917 0.020 . 2 . . . . 20 LYS HB3 . 16111 1
191 . 1 1 20 20 LYS HD2 H 1 1.780 0.020 . 1 . . . . 20 LYS QD . 16111 1
192 . 1 1 20 20 LYS HD3 H 1 1.780 0.020 . 1 . . . . 20 LYS QD . 16111 1
193 . 1 1 20 20 LYS HE2 H 1 2.820 0.020 . 2 . . . . 20 LYS HE2 . 16111 1
194 . 1 1 20 20 LYS HE3 H 1 2.455 0.020 . 2 . . . . 20 LYS HE3 . 16111 1
195 . 1 1 20 20 LYS HG2 H 1 1.630 0.020 . 2 . . . . 20 LYS HG2 . 16111 1
196 . 1 1 20 20 LYS HG3 H 1 1.495 0.020 . 2 . . . . 20 LYS HG3 . 16111 1
197 . 1 1 20 20 LYS CA C 13 59.362 0.300 . 1 . . . . 20 LYS CA . 16111 1
198 . 1 1 20 20 LYS CB C 13 31.743 0.300 . 1 . . . . 20 LYS CB . 16111 1
199 . 1 1 20 20 LYS CD C 13 28.956 0.300 . 1 . . . . 20 LYS CD . 16111 1
200 . 1 1 20 20 LYS CE C 13 42.150 0.300 . 1 . . . . 20 LYS CE . 16111 1
201 . 1 1 20 20 LYS CG C 13 24.991 0.300 . 1 . . . . 20 LYS CG . 16111 1
202 . 1 1 20 20 LYS N N 15 119.126 0.300 . 1 . . . . 20 LYS N . 16111 1
203 . 1 1 21 21 LYS H H 1 8.386 0.020 . 1 . . . . 21 LYS H . 16111 1
204 . 1 1 21 21 LYS HA H 1 4.111 0.020 . 1 . . . . 21 LYS HA . 16111 1
205 . 1 1 21 21 LYS HB2 H 1 2.192 0.020 . 2 . . . . 21 LYS HB2 . 16111 1
206 . 1 1 21 21 LYS HB3 H 1 2.152 0.020 . 2 . . . . 21 LYS HB3 . 16111 1
207 . 1 1 21 21 LYS HD2 H 1 1.826 0.020 . 1 . . . . 21 LYS QD . 16111 1
208 . 1 1 21 21 LYS HD3 H 1 1.826 0.020 . 1 . . . . 21 LYS QD . 16111 1
209 . 1 1 21 21 LYS HE2 H 1 3.001 0.020 . 1 . . . . 21 LYS QE . 16111 1
210 . 1 1 21 21 LYS HE3 H 1 3.001 0.020 . 1 . . . . 21 LYS QE . 16111 1
211 . 1 1 21 21 LYS HG2 H 1 1.734 0.020 . 2 . . . . 21 LYS HG2 . 16111 1
212 . 1 1 21 21 LYS HG3 H 1 1.518 0.020 . 2 . . . . 21 LYS HG3 . 16111 1
213 . 1 1 21 21 LYS CA C 13 59.657 0.300 . 1 . . . . 21 LYS CA . 16111 1
214 . 1 1 21 21 LYS CB C 13 33.192 0.300 . 1 . . . . 21 LYS CB . 16111 1
215 . 1 1 21 21 LYS CD C 13 29.048 0.300 . 1 . . . . 21 LYS CD . 16111 1
216 . 1 1 21 21 LYS CE C 13 41.896 0.300 . 1 . . . . 21 LYS CE . 16111 1
217 . 1 1 21 21 LYS CG C 13 25.929 0.300 . 1 . . . . 21 LYS CG . 16111 1
218 . 1 1 21 21 LYS N N 15 120.331 0.300 . 1 . . . . 21 LYS N . 16111 1
219 . 1 1 22 22 CYS H H 1 8.986 0.020 . 1 . . . . 22 CYS H . 16111 1
220 . 1 1 22 22 CYS HA H 1 4.340 0.020 . 1 . . . . 22 CYS HA . 16111 1
221 . 1 1 22 22 CYS HB2 H 1 2.554 0.020 . 1 . . . . 22 CYS QB . 16111 1
222 . 1 1 22 22 CYS HB3 H 1 2.554 0.020 . 1 . . . . 22 CYS QB . 16111 1
223 . 1 1 22 22 CYS CA C 13 57.827 0.300 . 1 . . . . 22 CYS CA . 16111 1
224 . 1 1 22 22 CYS CB C 13 35.944 0.300 . 1 . . . . 22 CYS CB . 16111 1
225 . 1 1 22 22 CYS N N 15 119.700 0.300 . 1 . . . . 22 CYS N . 16111 1
226 . 1 1 23 23 ASP H H 1 8.259 0.020 . 1 . . . . 23 ASP H . 16111 1
227 . 1 1 23 23 ASP HA H 1 4.024 0.020 . 1 . . . . 23 ASP HA . 16111 1
228 . 1 1 23 23 ASP HB2 H 1 3.100 0.020 . 2 . . . . 23 ASP HB2 . 16111 1
229 . 1 1 23 23 ASP HB3 H 1 2.756 0.020 . 2 . . . . 23 ASP HB3 . 16111 1
230 . 1 1 23 23 ASP CA C 13 58.126 0.300 . 1 . . . . 23 ASP CA . 16111 1
231 . 1 1 23 23 ASP CB C 13 42.484 0.300 . 1 . . . . 23 ASP CB . 16111 1
232 . 1 1 23 23 ASP N N 15 119.955 0.300 . 1 . . . . 23 ASP N . 16111 1
233 . 1 1 24 24 LYS H H 1 7.734 0.020 . 1 . . . . 24 LYS H . 16111 1
234 . 1 1 24 24 LYS HA H 1 3.993 0.020 . 1 . . . . 24 LYS HA . 16111 1
235 . 1 1 24 24 LYS HB2 H 1 1.985 0.020 . 2 . . . . 24 LYS HB2 . 16111 1
236 . 1 1 24 24 LYS HB3 H 1 1.902 0.020 . 2 . . . . 24 LYS HB3 . 16111 1
237 . 1 1 24 24 LYS HD2 H 1 1.711 0.020 . 1 . . . . 24 LYS QD . 16111 1
238 . 1 1 24 24 LYS HD3 H 1 1.711 0.020 . 1 . . . . 24 LYS QD . 16111 1
239 . 1 1 24 24 LYS HE2 H 1 2.760 0.020 . 2 . . . . 24 LYS HE2 . 16111 1
240 . 1 1 24 24 LYS HE3 H 1 3.121 0.020 . 2 . . . . 24 LYS HE3 . 16111 1
241 . 1 1 24 24 LYS HG2 H 1 1.584 0.020 . 2 . . . . 24 LYS HG2 . 16111 1
242 . 1 1 24 24 LYS HG3 H 1 1.466 0.020 . 2 . . . . 24 LYS HG3 . 16111 1
243 . 1 1 24 24 LYS CA C 13 59.357 0.300 . 1 . . . . 24 LYS CA . 16111 1
244 . 1 1 24 24 LYS CB C 13 32.798 0.300 . 1 . . . . 24 LYS CB . 16111 1
245 . 1 1 24 24 LYS CD C 13 29.146 0.300 . 1 . . . . 24 LYS CD . 16111 1
246 . 1 1 24 24 LYS CE C 13 41.861 0.300 . 1 . . . . 24 LYS CE . 16111 1
247 . 1 1 24 24 LYS CG C 13 24.678 0.300 . 1 . . . . 24 LYS CG . 16111 1
248 . 1 1 24 24 LYS N N 15 115.067 0.300 . 1 . . . . 24 LYS N . 16111 1
249 . 1 1 25 25 LYS H H 1 8.236 0.020 . 1 . . . . 25 LYS H . 16111 1
250 . 1 1 25 25 LYS HA H 1 4.157 0.020 . 1 . . . . 25 LYS HA . 16111 1
251 . 1 1 25 25 LYS HB2 H 1 2.148 0.020 . 2 . . . . 25 LYS HB2 . 16111 1
252 . 1 1 25 25 LYS HB3 H 1 1.977 0.020 . 2 . . . . 25 LYS HB3 . 16111 1
253 . 1 1 25 25 LYS HG2 H 1 1.382 0.020 . 2 . . . . 25 LYS HG2 . 16111 1
254 . 1 1 25 25 LYS HG3 H 1 1.279 0.020 . 2 . . . . 25 LYS HG3 . 16111 1
255 . 1 1 25 25 LYS CA C 13 59.357 0.300 . 1 . . . . 25 LYS CA . 16111 1
256 . 1 1 25 25 LYS CB C 13 31.865 0.300 . 1 . . . . 25 LYS CB . 16111 1
257 . 1 1 25 25 LYS CG C 13 24.842 0.300 . 1 . . . . 25 LYS CG . 16111 1
258 . 1 1 25 25 LYS N N 15 119.134 0.300 . 1 . . . . 25 LYS N . 16111 1
259 . 1 1 26 26 CYS H H 1 8.704 0.020 . 1 . . . . 26 CYS H . 16111 1
260 . 1 1 26 26 CYS HA H 1 4.198 0.020 . 1 . . . . 26 CYS HA . 16111 1
261 . 1 1 26 26 CYS HB2 H 1 2.819 0.020 . 2 . . . . 26 CYS HB2 . 16111 1
262 . 1 1 26 26 CYS HB3 H 1 2.444 0.020 . 2 . . . . 26 CYS HB3 . 16111 1
263 . 1 1 26 26 CYS CA C 13 59.068 0.300 . 1 . . . . 26 CYS CA . 16111 1
264 . 1 1 26 26 CYS CB C 13 36.215 0.300 . 1 . . . . 26 CYS CB . 16111 1
265 . 1 1 26 26 CYS N N 15 116.774 0.300 . 1 . . . . 26 CYS N . 16111 1
266 . 1 1 27 27 ILE H H 1 8.189 0.020 . 1 . . . . 27 ILE H . 16111 1
267 . 1 1 27 27 ILE HA H 1 3.846 0.020 . 1 . . . . 27 ILE HA . 16111 1
268 . 1 1 27 27 ILE HB H 1 1.696 0.020 . 1 . . . . 27 ILE HB . 16111 1
269 . 1 1 27 27 ILE HD11 H 1 0.861 0.020 . 1 . . . . 27 ILE QD1 . 16111 1
270 . 1 1 27 27 ILE HD12 H 1 0.861 0.020 . 1 . . . . 27 ILE QD1 . 16111 1
271 . 1 1 27 27 ILE HD13 H 1 0.861 0.020 . 1 . . . . 27 ILE QD1 . 16111 1
272 . 1 1 27 27 ILE HG12 H 1 1.428 0.020 . 1 . . . . 27 ILE QG1 . 16111 1
273 . 1 1 27 27 ILE HG13 H 1 1.428 0.020 . 1 . . . . 27 ILE QG1 . 16111 1
274 . 1 1 27 27 ILE HG21 H 1 0.695 0.020 . 1 . . . . 27 ILE QG2 . 16111 1
275 . 1 1 27 27 ILE HG22 H 1 0.695 0.020 . 1 . . . . 27 ILE QG2 . 16111 1
276 . 1 1 27 27 ILE HG23 H 1 0.695 0.020 . 1 . . . . 27 ILE QG2 . 16111 1
277 . 1 1 27 27 ILE CA C 13 64.700 0.300 . 1 . . . . 27 ILE CA . 16111 1
278 . 1 1 27 27 ILE CB C 13 39.381 0.300 . 1 . . . . 27 ILE CB . 16111 1
279 . 1 1 27 27 ILE CD1 C 13 16.549 0.300 . 1 . . . . 27 ILE CD1 . 16111 1
280 . 1 1 27 27 ILE CG1 C 13 28.346 0.300 . 1 . . . . 27 ILE CG1 . 16111 1
281 . 1 1 27 27 ILE CG2 C 13 16.550 0.300 . 1 . . . . 27 ILE CG2 . 16111 1
282 . 1 1 27 27 ILE N N 15 120.041 0.300 . 1 . . . . 27 ILE N . 16111 1
283 . 1 1 28 28 GLU H H 1 8.945 0.020 . 1 . . . . 28 GLU H . 16111 1
284 . 1 1 28 28 GLU HA H 1 4.072 0.020 . 1 . . . . 28 GLU HA . 16111 1
285 . 1 1 28 28 GLU HB2 H 1 2.196 0.020 . 2 . . . . 28 GLU HB2 . 16111 1
286 . 1 1 28 28 GLU HB3 H 1 1.876 0.020 . 2 . . . . 28 GLU HB3 . 16111 1
287 . 1 1 28 28 GLU HG2 H 1 2.475 0.020 . 2 . . . . 28 GLU HG2 . 16111 1
288 . 1 1 28 28 GLU HG3 H 1 2.098 0.020 . 2 . . . . 28 GLU HG3 . 16111 1
289 . 1 1 28 28 GLU CA C 13 59.064 0.300 . 1 . . . . 28 GLU CA . 16111 1
290 . 1 1 28 28 GLU CB C 13 29.712 0.300 . 1 . . . . 28 GLU CB . 16111 1
291 . 1 1 28 28 GLU CG C 13 36.868 0.300 . 1 . . . . 28 GLU CG . 16111 1
292 . 1 1 28 28 GLU N N 15 117.196 0.300 . 1 . . . . 28 GLU N . 16111 1
293 . 1 1 29 29 TRP H H 1 8.809 0.020 . 1 . . . . 29 TRP H . 16111 1
294 . 1 1 29 29 TRP HA H 1 4.867 0.020 . 1 . . . . 29 TRP HA . 16111 1
295 . 1 1 29 29 TRP HB2 H 1 3.666 0.020 . 2 . . . . 29 TRP HB2 . 16111 1
296 . 1 1 29 29 TRP HB3 H 1 3.394 0.020 . 2 . . . . 29 TRP HB3 . 16111 1
297 . 1 1 29 29 TRP HD1 H 1 7.363 0.020 . 1 . . . . 29 TRP HD1 . 16111 1
298 . 1 1 29 29 TRP HE1 H 1 10.209 0.020 . 1 . . . . 29 TRP HE1 . 16111 1
299 . 1 1 29 29 TRP HE3 H 1 7.802 0.020 . 1 . . . . 29 TRP HE3 . 16111 1
300 . 1 1 29 29 TRP HH2 H 1 7.273 0.020 . 1 . . . . 29 TRP HH2 . 16111 1
301 . 1 1 29 29 TRP HZ2 H 1 7.547 0.020 . 1 . . . . 29 TRP HZ2 . 16111 1
302 . 1 1 29 29 TRP HZ3 H 1 7.206 0.020 . 1 . . . . 29 TRP HZ3 . 16111 1
303 . 1 1 29 29 TRP CA C 13 58.107 0.300 . 1 . . . . 29 TRP CA . 16111 1
304 . 1 1 29 29 TRP CB C 13 29.956 0.300 . 1 . . . . 29 TRP CB . 16111 1
305 . 1 1 29 29 TRP CD1 C 13 125.941 0.300 . 1 . . . . 29 TRP CD1 . 16111 1
306 . 1 1 29 29 TRP CE3 C 13 120.778 0.300 . 1 . . . . 29 TRP CE3 . 16111 1
307 . 1 1 29 29 TRP CH2 C 13 124.883 0.300 . 1 . . . . 29 TRP CH2 . 16111 1
308 . 1 1 29 29 TRP CZ2 C 13 114.650 0.300 . 1 . . . . 29 TRP CZ2 . 16111 1
309 . 1 1 29 29 TRP CZ3 C 13 122.014 0.300 . 1 . . . . 29 TRP CZ3 . 16111 1
310 . 1 1 29 29 TRP N N 15 115.707 0.300 . 1 . . . . 29 TRP N . 16111 1
311 . 1 1 29 29 TRP NE1 N 15 129.065 0.300 . 1 . . . . 29 TRP NE1 . 16111 1
312 . 1 1 30 30 GLU H H 1 7.260 0.020 . 1 . . . . 30 GLU H . 16111 1
313 . 1 1 30 30 GLU HA H 1 4.834 0.020 . 1 . . . . 30 GLU HA . 16111 1
314 . 1 1 30 30 GLU HB2 H 1 2.776 0.020 . 2 . . . . 30 GLU HB2 . 16111 1
315 . 1 1 30 30 GLU HB3 H 1 2.611 0.020 . 2 . . . . 30 GLU HB3 . 16111 1
316 . 1 1 30 30 GLU HG2 H 1 2.460 0.020 . 2 . . . . 30 GLU HG2 . 16111 1
317 . 1 1 30 30 GLU HG3 H 1 2.322 0.020 . 2 . . . . 30 GLU HG3 . 16111 1
318 . 1 1 30 30 GLU CA C 13 55.852 0.300 . 1 . . . . 30 GLU CA . 16111 1
319 . 1 1 30 30 GLU CB C 13 29.684 0.300 . 1 . . . . 30 GLU CB . 16111 1
320 . 1 1 30 30 GLU CG C 13 38.739 0.300 . 1 . . . . 30 GLU CG . 16111 1
321 . 1 1 30 30 GLU N N 15 116.368 0.300 . 1 . . . . 30 GLU N . 16111 1
322 . 1 1 31 31 LYS H H 1 7.567 0.020 . 1 . . . . 31 LYS H . 16111 1
323 . 1 1 31 31 LYS HA H 1 4.217 0.020 . 1 . . . . 31 LYS HA . 16111 1
324 . 1 1 31 31 LYS HB2 H 1 2.115 0.020 . 2 . . . . 31 LYS HB2 . 16111 1
325 . 1 1 31 31 LYS HB3 H 1 2.077 0.020 . 2 . . . . 31 LYS HB3 . 16111 1
326 . 1 1 31 31 LYS HD2 H 1 2.140 0.020 . 2 . . . . 31 LYS HD2 . 16111 1
327 . 1 1 31 31 LYS HD3 H 1 2.230 0.020 . 2 . . . . 31 LYS HD3 . 16111 1
328 . 1 1 31 31 LYS HE2 H 1 3.053 0.020 . 1 . . . . 31 LYS QE . 16111 1
329 . 1 1 31 31 LYS HE3 H 1 3.053 0.020 . 1 . . . . 31 LYS QE . 16111 1
330 . 1 1 31 31 LYS HG2 H 1 1.450 0.020 . 2 . . . . 31 LYS HG2 . 16111 1
331 . 1 1 31 31 LYS HG3 H 1 1.390 0.020 . 2 . . . . 31 LYS HG3 . 16111 1
332 . 1 1 31 31 LYS CA C 13 56.866 0.300 . 1 . . . . 31 LYS CA . 16111 1
333 . 1 1 31 31 LYS CB C 13 28.163 0.300 . 1 . . . . 31 LYS CB . 16111 1
334 . 1 1 31 31 LYS CD C 13 28.266 0.300 . 1 . . . . 31 LYS CD . 16111 1
335 . 1 1 31 31 LYS CE C 13 41.865 0.300 . 1 . . . . 31 LYS CE . 16111 1
336 . 1 1 31 31 LYS CG C 13 24.545 0.300 . 1 . . . . 31 LYS CG . 16111 1
337 . 1 1 31 31 LYS N N 15 112.565 0.300 . 1 . . . . 31 LYS N . 16111 1
338 . 1 1 32 32 ALA H H 1 7.986 0.020 . 1 . . . . 32 ALA H . 16111 1
339 . 1 1 32 32 ALA HA H 1 4.137 0.020 . 1 . . . . 32 ALA HA . 16111 1
340 . 1 1 32 32 ALA HB1 H 1 0.681 0.020 . 1 . . . . 32 ALA QB . 16111 1
341 . 1 1 32 32 ALA HB2 H 1 0.681 0.020 . 1 . . . . 32 ALA QB . 16111 1
342 . 1 1 32 32 ALA HB3 H 1 0.681 0.020 . 1 . . . . 32 ALA QB . 16111 1
343 . 1 1 32 32 ALA CA C 13 50.287 0.300 . 1 . . . . 32 ALA CA . 16111 1
344 . 1 1 32 32 ALA CB C 13 20.635 0.300 . 1 . . . . 32 ALA CB . 16111 1
345 . 1 1 32 32 ALA N N 15 120.768 0.300 . 1 . . . . 32 ALA N . 16111 1
346 . 1 1 33 33 GLN H H 1 8.473 0.020 . 1 . . . . 33 GLN H . 16111 1
347 . 1 1 33 33 GLN HA H 1 4.163 0.020 . 1 . . . . 33 GLN HA . 16111 1
348 . 1 1 33 33 GLN HB2 H 1 1.900 0.020 . 2 . . . . 33 GLN HB2 . 16111 1
349 . 1 1 33 33 GLN HB3 H 1 1.797 0.020 . 2 . . . . 33 GLN HB3 . 16111 1
350 . 1 1 33 33 GLN HE21 H 1 7.581 0.020 . 1 . . . . 33 GLN HE21 . 16111 1
351 . 1 1 33 33 GLN HE22 H 1 6.891 0.020 . 1 . . . . 33 GLN HE22 . 16111 1
352 . 1 1 33 33 GLN HG2 H 1 2.409 0.020 . 1 . . . . 33 GLN QG . 16111 1
353 . 1 1 33 33 GLN HG3 H 1 2.409 0.020 . 1 . . . . 33 GLN QG . 16111 1
354 . 1 1 33 33 GLN CA C 13 57.156 0.300 . 1 . . . . 33 GLN CA . 16111 1
355 . 1 1 33 33 GLN CB C 13 29.992 0.300 . 1 . . . . 33 GLN CB . 16111 1
356 . 1 1 33 33 GLN CG C 13 34.358 0.300 . 1 . . . . 33 GLN CG . 16111 1
357 . 1 1 33 33 GLN N N 15 115.050 0.300 . 1 . . . . 33 GLN N . 16111 1
358 . 1 1 33 33 GLN NE2 N 15 111.738 0.300 . 1 . . . . 33 GLN NE2 . 16111 1
359 . 1 1 34 34 HIS H H 1 7.433 0.020 . 1 . . . . 34 HIS H . 16111 1
360 . 1 1 34 34 HIS HA H 1 5.034 0.020 . 1 . . . . 34 HIS HA . 16111 1
361 . 1 1 34 34 HIS HB2 H 1 3.249 0.020 . 1 . . . . 34 HIS HB2 . 16111 1
362 . 1 1 34 34 HIS HB3 H 1 3.070 0.020 . 1 . . . . 34 HIS HB3 . 16111 1
363 . 1 1 34 34 HIS CA C 13 54.382 0.300 . 1 . . . . 34 HIS CA . 16111 1
364 . 1 1 34 34 HIS CB C 13 34.051 0.300 . 1 . . . . 34 HIS CB . 16111 1
365 . 1 1 34 34 HIS N N 15 110.414 0.300 . 1 . . . . 34 HIS N . 16111 1
366 . 1 1 35 35 GLY H H 1 9.976 0.020 . 1 . . . . 35 GLY H . 16111 1
367 . 1 1 35 35 GLY HA2 H 1 4.057 0.020 . 2 . . . . 35 GLY HA2 . 16111 1
368 . 1 1 35 35 GLY HA3 H 1 3.804 0.020 . 2 . . . . 35 GLY HA3 . 16111 1
369 . 1 1 35 35 GLY CA C 13 45.314 0.300 . 1 . . . . 35 GLY CA . 16111 1
370 . 1 1 35 35 GLY N N 15 111.215 0.300 . 1 . . . . 35 GLY N . 16111 1
371 . 1 1 36 36 ALA H H 1 9.492 0.020 . 1 . . . . 36 ALA H . 16111 1
372 . 1 1 36 36 ALA HA H 1 4.381 0.020 . 1 . . . . 36 ALA HA . 16111 1
373 . 1 1 36 36 ALA HB1 H 1 1.367 0.020 . 1 . . . . 36 ALA QB . 16111 1
374 . 1 1 36 36 ALA HB2 H 1 1.367 0.020 . 1 . . . . 36 ALA QB . 16111 1
375 . 1 1 36 36 ALA HB3 H 1 1.367 0.020 . 1 . . . . 36 ALA QB . 16111 1
376 . 1 1 36 36 ALA CA C 13 52.144 0.300 . 1 . . . . 36 ALA CA . 16111 1
377 . 1 1 36 36 ALA CB C 13 23.421 0.300 . 1 . . . . 36 ALA CB . 16111 1
378 . 1 1 36 36 ALA N N 15 122.051 0.300 . 1 . . . . 36 ALA N . 16111 1
379 . 1 1 37 37 CYS H H 1 8.443 0.020 . 1 . . . . 37 CYS H . 16111 1
380 . 1 1 37 37 CYS HA H 1 5.366 0.020 . 1 . . . . 37 CYS HA . 16111 1
381 . 1 1 37 37 CYS HB2 H 1 2.823 0.020 . 2 . . . . 37 CYS HB2 . 16111 1
382 . 1 1 37 37 CYS HB3 H 1 2.766 0.020 . 2 . . . . 37 CYS HB3 . 16111 1
383 . 1 1 37 37 CYS CA C 13 53.836 0.300 . 1 . . . . 37 CYS CA . 16111 1
384 . 1 1 37 37 CYS CB C 13 42.465 0.300 . 1 . . . . 37 CYS CB . 16111 1
385 . 1 1 37 37 CYS N N 15 118.471 0.300 . 1 . . . . 37 CYS N . 16111 1
386 . 1 1 38 38 HIS H H 1 9.118 0.020 . 1 . . . . 38 HIS H . 16111 1
387 . 1 1 38 38 HIS HA H 1 5.078 0.020 . 1 . . . . 38 HIS HA . 16111 1
388 . 1 1 38 38 HIS HB2 H 1 3.029 0.020 . 2 . . . . 38 HIS HB2 . 16111 1
389 . 1 1 38 38 HIS HB3 H 1 2.910 0.020 . 2 . . . . 38 HIS HB3 . 16111 1
390 . 1 1 38 38 HIS CA C 13 55.308 0.300 . 1 . . . . 38 HIS CA . 16111 1
391 . 1 1 38 38 HIS CB C 13 33.458 0.300 . 1 . . . . 38 HIS CB . 16111 1
392 . 1 1 38 38 HIS N N 15 117.191 0.300 . 1 . . . . 38 HIS N . 16111 1
393 . 1 1 39 39 LYS H H 1 8.943 0.020 . 1 . . . . 39 LYS H . 16111 1
394 . 1 1 39 39 LYS HA H 1 4.716 0.020 . 1 . . . . 39 LYS HA . 16111 1
395 . 1 1 39 39 LYS HB2 H 1 1.825 0.020 . 2 . . . . 39 LYS HB2 . 16111 1
396 . 1 1 39 39 LYS HB3 H 1 1.716 0.020 . 2 . . . . 39 LYS HB3 . 16111 1
397 . 1 1 39 39 LYS HE2 H 1 3.522 0.020 . 2 . . . . 39 LYS HE2 . 16111 1
398 . 1 1 39 39 LYS HE3 H 1 3.438 0.020 . 2 . . . . 39 LYS HE3 . 16111 1
399 . 1 1 39 39 LYS HG2 H 1 1.398 0.020 . 2 . . . . 39 LYS HG2 . 16111 1
400 . 1 1 39 39 LYS HG3 H 1 1.287 0.020 . 2 . . . . 39 LYS HG3 . 16111 1
401 . 1 1 39 39 LYS CA C 13 55.669 0.300 . 1 . . . . 39 LYS CA . 16111 1
402 . 1 1 39 39 LYS CB C 13 33.093 0.300 . 1 . . . . 39 LYS CB . 16111 1
403 . 1 1 39 39 LYS CE C 13 41.891 0.300 . 1 . . . . 39 LYS CE . 16111 1
404 . 1 1 39 39 LYS CG C 13 24.733 0.300 . 1 . . . . 39 LYS CG . 16111 1
405 . 1 1 39 39 LYS N N 15 123.515 0.300 . 1 . . . . 39 LYS N . 16111 1
406 . 1 1 40 40 ARG H H 1 8.581 0.020 . 1 . . . . 40 ARG H . 16111 1
407 . 1 1 40 40 ARG HA H 1 4.595 0.020 . 1 . . . . 40 ARG HA . 16111 1
408 . 1 1 40 40 ARG HB2 H 1 1.895 0.020 . 1 . . . . 40 ARG QB . 16111 1
409 . 1 1 40 40 ARG HB3 H 1 1.895 0.020 . 1 . . . . 40 ARG QB . 16111 1
410 . 1 1 40 40 ARG HD2 H 1 2.697 0.020 . 1 . . . . 40 ARG QD . 16111 1
411 . 1 1 40 40 ARG HD3 H 1 2.697 0.020 . 1 . . . . 40 ARG QD . 16111 1
412 . 1 1 40 40 ARG HG2 H 1 1.741 0.020 . 1 . . . . 40 ARG QG . 16111 1
413 . 1 1 40 40 ARG HG3 H 1 1.741 0.020 . 1 . . . . 40 ARG QG . 16111 1
414 . 1 1 40 40 ARG CA C 13 54.053 0.300 . 1 . . . . 40 ARG CA . 16111 1
415 . 1 1 40 40 ARG CB C 13 30.420 0.300 . 1 . . . . 40 ARG CB . 16111 1
416 . 1 1 40 40 ARG CD C 13 40.949 0.300 . 1 . . . . 40 ARG CD . 16111 1
417 . 1 1 40 40 ARG CG C 13 26.502 0.300 . 1 . . . . 40 ARG CG . 16111 1
418 . 1 1 40 40 ARG N N 15 125.405 0.300 . 1 . . . . 40 ARG N . 16111 1
419 . 1 1 41 41 GLU H H 1 8.658 0.020 . 1 . . . . 41 GLU H . 16111 1
420 . 1 1 41 41 GLU HA H 1 4.212 0.020 . 1 . . . . 41 GLU HA . 16111 1
421 . 1 1 41 41 GLU HB2 H 1 2.102 0.020 . 2 . . . . 41 GLU HB2 . 16111 1
422 . 1 1 41 41 GLU HB3 H 1 2.064 0.020 . 2 . . . . 41 GLU HB3 . 16111 1
423 . 1 1 41 41 GLU HG2 H 1 2.320 0.020 . 1 . . . . 41 GLU QG . 16111 1
424 . 1 1 41 41 GLU HG3 H 1 2.320 0.020 . 1 . . . . 41 GLU QG . 16111 1
425 . 1 1 41 41 GLU CA C 13 57.180 0.300 . 1 . . . . 41 GLU CA . 16111 1
426 . 1 1 41 41 GLU CB C 13 29.675 0.300 . 1 . . . . 41 GLU CB . 16111 1
427 . 1 1 41 41 GLU CG C 13 36.126 0.300 . 1 . . . . 41 GLU CG . 16111 1
428 . 1 1 41 41 GLU N N 15 121.637 0.300 . 1 . . . . 41 GLU N . 16111 1
429 . 1 1 42 42 ALA H H 1 8.681 0.020 . 1 . . . . 42 ALA H . 16111 1
430 . 1 1 42 42 ALA HA H 1 4.193 0.020 . 1 . . . . 42 ALA HA . 16111 1
431 . 1 1 42 42 ALA HB1 H 1 1.475 0.020 . 1 . . . . 42 ALA QB . 16111 1
432 . 1 1 42 42 ALA HB2 H 1 1.475 0.020 . 1 . . . . 42 ALA QB . 16111 1
433 . 1 1 42 42 ALA HB3 H 1 1.475 0.020 . 1 . . . . 42 ALA QB . 16111 1
434 . 1 1 42 42 ALA CA C 13 52.602 0.300 . 1 . . . . 42 ALA CA . 16111 1
435 . 1 1 42 42 ALA CB C 13 17.838 0.300 . 1 . . . . 42 ALA CB . 16111 1
436 . 1 1 42 42 ALA N N 15 122.801 0.300 . 1 . . . . 42 ALA N . 16111 1
437 . 1 1 43 43 GLY H H 1 8.350 0.020 . 1 . . . . 43 GLY H . 16111 1
438 . 1 1 43 43 GLY HA2 H 1 4.054 0.020 . 2 . . . . 43 GLY HA2 . 16111 1
439 . 1 1 43 43 GLY HA3 H 1 3.806 0.020 . 2 . . . . 43 GLY HA3 . 16111 1
440 . 1 1 43 43 GLY CA C 13 45.332 0.300 . 1 . . . . 43 GLY CA . 16111 1
441 . 1 1 43 43 GLY N N 15 106.447 0.300 . 1 . . . . 43 GLY N . 16111 1
442 . 1 1 44 44 LYS H H 1 7.754 0.020 . 1 . . . . 44 LYS H . 16111 1
443 . 1 1 44 44 LYS HA H 1 4.453 0.020 . 1 . . . . 44 LYS HA . 16111 1
444 . 1 1 44 44 LYS HB2 H 1 1.849 0.020 . 2 . . . . 44 LYS HB2 . 16111 1
445 . 1 1 44 44 LYS HB3 H 1 1.768 0.020 . 2 . . . . 44 LYS HB3 . 16111 1
446 . 1 1 44 44 LYS HD2 H 1 1.689 0.020 . 1 . . . . 44 LYS QD . 16111 1
447 . 1 1 44 44 LYS HD3 H 1 1.689 0.020 . 1 . . . . 44 LYS QD . 16111 1
448 . 1 1 44 44 LYS HE2 H 1 2.998 0.020 . 1 . . . . 44 LYS QE . 16111 1
449 . 1 1 44 44 LYS HE3 H 1 2.998 0.020 . 1 . . . . 44 LYS QE . 16111 1
450 . 1 1 44 44 LYS HG2 H 1 1.453 0.020 . 2 . . . . 44 LYS HG2 . 16111 1
451 . 1 1 44 44 LYS HG3 H 1 1.381 0.020 . 2 . . . . 44 LYS HG3 . 16111 1
452 . 1 1 44 44 LYS CA C 13 55.444 0.300 . 1 . . . . 44 LYS CA . 16111 1
453 . 1 1 44 44 LYS CB C 13 33.681 0.300 . 1 . . . . 44 LYS CB . 16111 1
454 . 1 1 44 44 LYS CD C 13 29.025 0.300 . 1 . . . . 44 LYS CD . 16111 1
455 . 1 1 44 44 LYS CE C 13 41.928 0.300 . 1 . . . . 44 LYS CE . 16111 1
456 . 1 1 44 44 LYS CG C 13 24.653 0.300 . 1 . . . . 44 LYS CG . 16111 1
457 . 1 1 44 44 LYS N N 15 119.520 0.300 . 1 . . . . 44 LYS N . 16111 1
458 . 1 1 45 45 GLU H H 1 8.950 0.020 . 1 . . . . 45 GLU H . 16111 1
459 . 1 1 45 45 GLU HA H 1 4.786 0.020 . 1 . . . . 45 GLU HA . 16111 1
460 . 1 1 45 45 GLU HB2 H 1 1.986 0.020 . 2 . . . . 45 GLU HB2 . 16111 1
461 . 1 1 45 45 GLU HB3 H 1 1.921 0.020 . 2 . . . . 45 GLU HB3 . 16111 1
462 . 1 1 45 45 GLU HG2 H 1 2.850 0.020 . 2 . . . . 45 GLU HG2 . 16111 1
463 . 1 1 45 45 GLU HG3 H 1 2.649 0.020 . 2 . . . . 45 GLU HG3 . 16111 1
464 . 1 1 45 45 GLU CA C 13 55.773 0.300 . 1 . . . . 45 GLU CA . 16111 1
465 . 1 1 45 45 GLU CB C 13 31.421 0.300 . 1 . . . . 45 GLU CB . 16111 1
466 . 1 1 45 45 GLU CG C 13 40.948 0.300 . 1 . . . . 45 GLU CG . 16111 1
467 . 1 1 45 45 GLU N N 15 125.444 0.300 . 1 . . . . 45 GLU N . 16111 1
468 . 1 1 46 46 SER H H 1 8.567 0.020 . 1 . . . . 46 SER H . 16111 1
469 . 1 1 46 46 SER HA H 1 4.727 0.020 . 1 . . . . 46 SER HA . 16111 1
470 . 1 1 46 46 SER HB2 H 1 3.522 0.020 . 2 . . . . 46 SER HB2 . 16111 1
471 . 1 1 46 46 SER HB3 H 1 3.431 0.020 . 2 . . . . 46 SER HB3 . 16111 1
472 . 1 1 46 46 SER CA C 13 56.911 0.300 . 1 . . . . 46 SER CA . 16111 1
473 . 1 1 46 46 SER CB C 13 65.616 0.300 . 1 . . . . 46 SER CB . 16111 1
474 . 1 1 46 46 SER N N 15 119.522 0.300 . 1 . . . . 46 SER N . 16111 1
475 . 1 1 47 47 CYS H H 1 9.044 0.020 . 1 . . . . 47 CYS H . 16111 1
476 . 1 1 47 47 CYS HA H 1 4.488 0.020 . 1 . . . . 47 CYS HA . 16111 1
477 . 1 1 47 47 CYS HB2 H 1 2.133 0.020 . 2 . . . . 47 CYS HB2 . 16111 1
478 . 1 1 47 47 CYS HB3 H 1 1.991 0.020 . 2 . . . . 47 CYS HB3 . 16111 1
479 . 1 1 47 47 CYS CA C 13 54.538 0.300 . 1 . . . . 47 CYS CA . 16111 1
480 . 1 1 47 47 CYS CB C 13 35.634 0.300 . 1 . . . . 47 CYS CB . 16111 1
481 . 1 1 47 47 CYS N N 15 120.774 0.300 . 1 . . . . 47 CYS N . 16111 1
482 . 1 1 48 48 PHE H H 1 9.014 0.020 . 1 . . . . 48 PHE H . 16111 1
483 . 1 1 48 48 PHE HA H 1 4.519 0.020 . 1 . . . . 48 PHE HA . 16111 1
484 . 1 1 48 48 PHE HB2 H 1 3.132 0.020 . 2 . . . . 48 PHE HB2 . 16111 1
485 . 1 1 48 48 PHE HB3 H 1 2.423 0.020 . 2 . . . . 48 PHE HB3 . 16111 1
486 . 1 1 48 48 PHE HD1 H 1 6.792 0.020 . 1 . . . . 48 PHE QD . 16111 1
487 . 1 1 48 48 PHE HD2 H 1 6.792 0.020 . 1 . . . . 48 PHE QD . 16111 1
488 . 1 1 48 48 PHE HE1 H 1 6.770 0.020 . 1 . . . . 48 PHE QE . 16111 1
489 . 1 1 48 48 PHE HE2 H 1 6.770 0.020 . 1 . . . . 48 PHE QE . 16111 1
490 . 1 1 48 48 PHE HZ H 1 6.771 0.020 . 1 . . . . 48 PHE HZ . 16111 1
491 . 1 1 48 48 PHE CA C 13 57.497 0.300 . 1 . . . . 48 PHE CA . 16111 1
492 . 1 1 48 48 PHE CB C 13 41.544 0.300 . 1 . . . . 48 PHE CB . 16111 1
493 . 1 1 48 48 PHE CD1 C 13 131.948 0.300 . 1 . . . . 48 PHE CD1 . 16111 1
494 . 1 1 48 48 PHE CZ C 13 131.511 0.300 . 1 . . . . 48 PHE CZ . 16111 1
495 . 1 1 48 48 PHE N N 15 129.231 0.300 . 1 . . . . 48 PHE N . 16111 1
496 . 1 1 49 49 CYS H H 1 8.848 0.020 . 1 . . . . 49 CYS H . 16111 1
497 . 1 1 49 49 CYS HA H 1 5.373 0.020 . 1 . . . . 49 CYS HA . 16111 1
498 . 1 1 49 49 CYS HB2 H 1 2.851 0.020 . 2 . . . . 49 CYS HB2 . 16111 1
499 . 1 1 49 49 CYS HB3 H 1 2.581 0.020 . 2 . . . . 49 CYS HB3 . 16111 1
500 . 1 1 49 49 CYS CA C 13 50.616 0.300 . 1 . . . . 49 CYS CA . 16111 1
501 . 1 1 49 49 CYS CB C 13 37.430 0.300 . 1 . . . . 49 CYS CB . 16111 1
502 . 1 1 49 49 CYS N N 15 115.520 0.300 . 1 . . . . 49 CYS N . 16111 1
503 . 1 1 50 50 TYR H H 1 8.364 0.020 . 1 . . . . 50 TYR H . 16111 1
504 . 1 1 50 50 TYR HA H 1 5.142 0.020 . 1 . . . . 50 TYR HA . 16111 1
505 . 1 1 50 50 TYR HB2 H 1 2.697 0.020 . 2 . . . . 50 TYR HB2 . 16111 1
506 . 1 1 50 50 TYR HB3 H 1 2.273 0.020 . 2 . . . . 50 TYR HB3 . 16111 1
507 . 1 1 50 50 TYR HD1 H 1 6.390 0.020 . 1 . . . . 50 TYR QD . 16111 1
508 . 1 1 50 50 TYR HD2 H 1 6.390 0.020 . 1 . . . . 50 TYR QD . 16111 1
509 . 1 1 50 50 TYR HE1 H 1 6.627 0.020 . 1 . . . . 50 TYR QE . 16111 1
510 . 1 1 50 50 TYR HE2 H 1 6.627 0.020 . 1 . . . . 50 TYR QE . 16111 1
511 . 1 1 50 50 TYR CA C 13 57.319 0.300 . 1 . . . . 50 TYR CA . 16111 1
512 . 1 1 50 50 TYR CB C 13 40.772 0.300 . 1 . . . . 50 TYR CB . 16111 1
513 . 1 1 50 50 TYR N N 15 117.308 0.300 . 1 . . . . 50 TYR N . 16111 1
514 . 1 1 51 51 PHE H H 1 9.116 0.020 . 1 . . . . 51 PHE H . 16111 1
515 . 1 1 51 51 PHE HA H 1 4.885 0.020 . 1 . . . . 51 PHE HA . 16111 1
516 . 1 1 51 51 PHE HB2 H 1 3.269 0.020 . 2 . . . . 51 PHE HB2 . 16111 1
517 . 1 1 51 51 PHE HB3 H 1 2.642 0.020 . 2 . . . . 51 PHE HB3 . 16111 1
518 . 1 1 51 51 PHE HD1 H 1 7.242 0.020 . 1 . . . . 51 PHE QD . 16111 1
519 . 1 1 51 51 PHE HD2 H 1 7.242 0.020 . 1 . . . . 51 PHE QD . 16111 1
520 . 1 1 51 51 PHE HE1 H 1 7.409 0.020 . 1 . . . . 51 PHE QE . 16111 1
521 . 1 1 51 51 PHE HE2 H 1 7.409 0.020 . 1 . . . . 51 PHE QE . 16111 1
522 . 1 1 51 51 PHE CA C 13 55.852 0.300 . 1 . . . . 51 PHE CA . 16111 1
523 . 1 1 51 51 PHE CB C 13 43.114 0.300 . 1 . . . . 51 PHE CB . 16111 1
524 . 1 1 51 51 PHE N N 15 120.779 0.300 . 1 . . . . 51 PHE N . 16111 1
525 . 1 1 52 52 ASP H H 1 9.235 0.020 . 1 . . . . 52 ASP H . 16111 1
526 . 1 1 52 52 ASP HA H 1 4.788 0.020 . 1 . . . . 52 ASP HA . 16111 1
527 . 1 1 52 52 ASP HB2 H 1 2.856 0.020 . 2 . . . . 52 ASP HB2 . 16111 1
528 . 1 1 52 52 ASP HB3 H 1 2.659 0.020 . 2 . . . . 52 ASP HB3 . 16111 1
529 . 1 1 52 52 ASP CA C 13 55.200 0.300 . 1 . . . . 52 ASP CA . 16111 1
530 . 1 1 52 52 ASP CB C 13 41.017 0.300 . 1 . . . . 52 ASP CB . 16111 1
531 . 1 1 52 52 ASP N N 15 122.713 0.300 . 1 . . . . 52 ASP N . 16111 1
532 . 1 1 53 53 CYS H H 1 9.144 0.020 . 1 . . . . 53 CYS H . 16111 1
533 . 1 1 53 53 CYS HA H 1 4.614 0.020 . 1 . . . . 53 CYS HA . 16111 1
534 . 1 1 53 53 CYS HB2 H 1 3.225 0.020 . 2 . . . . 53 CYS HB2 . 16111 1
535 . 1 1 53 53 CYS HB3 H 1 3.054 0.020 . 2 . . . . 53 CYS HB3 . 16111 1
536 . 1 1 53 53 CYS CA C 13 56.963 0.300 . 1 . . . . 53 CYS CA . 16111 1
537 . 1 1 53 53 CYS CB C 13 42.149 0.300 . 1 . . . . 53 CYS CB . 16111 1
538 . 1 1 53 53 CYS N N 15 126.032 0.300 . 1 . . . . 53 CYS N . 16111 1
539 . 1 1 54 54 SER H H 1 8.872 0.020 . 1 . . . . 54 SER H . 16111 1
540 . 1 1 54 54 SER HA H 1 4.377 0.020 . 1 . . . . 54 SER HA . 16111 1
541 . 1 1 54 54 SER HB2 H 1 3.963 0.020 . 1 . . . . 54 SER QB . 16111 1
542 . 1 1 54 54 SER HB3 H 1 3.963 0.020 . 1 . . . . 54 SER QB . 16111 1
543 . 1 1 54 54 SER CA C 13 59.778 0.300 . 1 . . . . 54 SER CA . 16111 1
544 . 1 1 54 54 SER CB C 13 63.357 0.300 . 1 . . . . 54 SER CB . 16111 1
545 . 1 1 54 54 SER N N 15 115.829 0.300 . 1 . . . . 54 SER N . 16111 1
546 . 1 1 55 55 LYS H H 1 8.039 0.020 . 1 . . . . 55 LYS H . 16111 1
547 . 1 1 55 55 LYS HA H 1 4.531 0.020 . 1 . . . . 55 LYS HA . 16111 1
548 . 1 1 55 55 LYS HB2 H 1 1.989 0.020 . 2 . . . . 55 LYS HB2 . 16111 1
549 . 1 1 55 55 LYS HB3 H 1 1.745 0.020 . 2 . . . . 55 LYS HB3 . 16111 1
550 . 1 1 55 55 LYS HD2 H 1 1.462 0.020 . 1 . . . . 55 LYS QD . 16111 1
551 . 1 1 55 55 LYS HD3 H 1 1.462 0.020 . 1 . . . . 55 LYS QD . 16111 1
552 . 1 1 55 55 LYS HE2 H 1 3.024 0.020 . 1 . . . . 55 LYS QE . 16111 1
553 . 1 1 55 55 LYS HE3 H 1 3.024 0.020 . 1 . . . . 55 LYS QE . 16111 1
554 . 1 1 55 55 LYS HG2 H 1 1.408 0.020 . 1 . . . . 55 LYS QG . 16111 1
555 . 1 1 55 55 LYS HG3 H 1 1.408 0.020 . 1 . . . . 55 LYS QG . 16111 1
556 . 1 1 55 55 LYS CA C 13 55.296 0.300 . 1 . . . . 55 LYS CA . 16111 1
557 . 1 1 55 55 LYS CB C 13 32.923 0.300 . 1 . . . . 55 LYS CB . 16111 1
558 . 1 1 55 55 LYS CD C 13 28.946 0.300 . 1 . . . . 55 LYS CD . 16111 1
559 . 1 1 55 55 LYS CE C 13 42.010 0.300 . 1 . . . . 55 LYS CE . 16111 1
560 . 1 1 55 55 LYS CG C 13 24.153 0.300 . 1 . . . . 55 LYS CG . 16111 1
561 . 1 1 55 55 LYS N N 15 122.478 0.300 . 1 . . . . 55 LYS N . 16111 1
562 . 1 1 56 56 SER H H 1 8.006 0.020 . 1 . . . . 56 SER H . 16111 1
563 . 1 1 56 56 SER HA H 1 4.537 0.020 . 1 . . . . 56 SER HA . 16111 1
564 . 1 1 56 56 SER HB2 H 1 3.796 0.020 . 2 . . . . 56 SER HB2 . 16111 1
565 . 1 1 56 56 SER HB3 H 1 3.668 0.020 . 2 . . . . 56 SER HB3 . 16111 1
566 . 1 1 56 56 SER CA C 13 56.356 0.300 . 1 . . . . 56 SER CA . 16111 1
567 . 1 1 56 56 SER CB C 13 63.434 0.300 . 1 . . . . 56 SER CB . 16111 1
568 . 1 1 56 56 SER N N 15 117.425 0.300 . 1 . . . . 56 SER N . 16111 1
569 . 1 1 57 57 PRO HA H 1 4.484 0.020 . 1 . . . . 57 PRO HA . 16111 1
570 . 1 1 57 57 PRO HB2 H 1 2.306 0.020 . 2 . . . . 57 PRO HB2 . 16111 1
571 . 1 1 57 57 PRO HB3 H 1 1.921 0.020 . 2 . . . . 57 PRO HB3 . 16111 1
572 . 1 1 57 57 PRO HD2 H 1 3.822 0.020 . 2 . . . . 57 PRO HD2 . 16111 1
573 . 1 1 57 57 PRO HD3 H 1 3.654 0.020 . 2 . . . . 57 PRO HD3 . 16111 1
574 . 1 1 57 57 PRO HG2 H 1 2.038 0.020 . 1 . . . . 57 PRO QG . 16111 1
575 . 1 1 57 57 PRO HG3 H 1 2.038 0.020 . 1 . . . . 57 PRO QG . 16111 1
576 . 1 1 57 57 PRO CA C 13 63.115 0.300 . 1 . . . . 57 PRO CA . 16111 1
577 . 1 1 57 57 PRO CB C 13 31.951 0.300 . 1 . . . . 57 PRO CB . 16111 1
578 . 1 1 57 57 PRO CD C 13 50.336 0.300 . 1 . . . . 57 PRO CD . 16111 1
579 . 1 1 57 57 PRO CG C 13 27.134 0.300 . 1 . . . . 57 PRO CG . 16111 1
580 . 1 1 57 57 PRO N N 15 137.498 0.300 . 1 . . . . 57 PRO N . 16111 1
581 . 1 1 58 58 PRO HA H 1 4.384 0.020 . 1 . . . . 58 PRO HA . 16111 1
582 . 1 1 58 58 PRO HB2 H 1 2.292 0.020 . 2 . . . . 58 PRO HB2 . 16111 1
583 . 1 1 58 58 PRO HB3 H 1 1.884 0.020 . 2 . . . . 58 PRO HB3 . 16111 1
584 . 1 1 58 58 PRO HD2 H 1 3.813 0.020 . 2 . . . . 58 PRO HD2 . 16111 1
585 . 1 1 58 58 PRO HD3 H 1 3.612 0.020 . 2 . . . . 58 PRO HD3 . 16111 1
586 . 1 1 58 58 PRO HG2 H 1 2.040 0.020 . 1 . . . . 58 PRO QG . 16111 1
587 . 1 1 58 58 PRO HG3 H 1 2.040 0.020 . 1 . . . . 58 PRO QG . 16111 1
588 . 1 1 58 58 PRO CA C 13 62.804 0.300 . 1 . . . . 58 PRO CA . 16111 1
589 . 1 1 58 58 PRO CB C 13 31.851 0.300 . 1 . . . . 58 PRO CB . 16111 1
590 . 1 1 58 58 PRO CD C 13 50.308 0.300 . 1 . . . . 58 PRO CD . 16111 1
591 . 1 1 58 58 PRO CG C 13 27.176 0.300 . 1 . . . . 58 PRO CG . 16111 1
592 . 1 1 58 58 PRO N N 15 135.513 0.300 . 1 . . . . 58 PRO N . 16111 1
593 . 1 1 59 59 GLY H H 1 8.604 0.020 . 1 . . . . 59 GLY H . 16111 1
594 . 1 1 59 59 GLY HA2 H 1 4.026 0.020 . 2 . . . . 59 GLY HA2 . 16111 1
595 . 1 1 59 59 GLY HA3 H 1 3.845 0.020 . 2 . . . . 59 GLY HA3 . 16111 1
596 . 1 1 59 59 GLY CA C 13 44.975 0.300 . 1 . . . . 59 GLY CA . 16111 1
597 . 1 1 59 59 GLY N N 15 109.712 0.300 . 1 . . . . 59 GLY N . 16111 1
598 . 1 1 60 60 ALA H H 1 7.837 0.020 . 1 . . . . 60 ALA H . 16111 1
599 . 1 1 60 60 ALA HA H 1 4.283 0.020 . 1 . . . . 60 ALA HA . 16111 1
600 . 1 1 60 60 ALA HB1 H 1 1.303 0.020 . 1 . . . . 60 ALA QB . 16111 1
601 . 1 1 60 60 ALA HB2 H 1 1.303 0.020 . 1 . . . . 60 ALA QB . 16111 1
602 . 1 1 60 60 ALA HB3 H 1 1.303 0.020 . 1 . . . . 60 ALA QB . 16111 1
603 . 1 1 60 60 ALA CA C 13 52.306 0.300 . 1 . . . . 60 ALA CA . 16111 1
604 . 1 1 60 60 ALA CB C 13 19.053 0.300 . 1 . . . . 60 ALA CB . 16111 1
605 . 1 1 60 60 ALA N N 15 122.853 0.300 . 1 . . . . 60 ALA N . 16111 1
606 . 1 1 61 61 THR H H 1 7.959 0.020 . 1 . . . . 61 THR H . 16111 1
607 . 1 1 61 61 THR HA H 1 4.439 0.020 . 1 . . . . 61 THR HA . 16111 1
608 . 1 1 61 61 THR HB H 1 4.040 0.020 . 1 . . . . 61 THR HB . 16111 1
609 . 1 1 61 61 THR HG21 H 1 1.174 0.020 . 1 . . . . 61 THR QG2 . 16111 1
610 . 1 1 61 61 THR HG22 H 1 1.174 0.020 . 1 . . . . 61 THR QG2 . 16111 1
611 . 1 1 61 61 THR HG23 H 1 1.174 0.020 . 1 . . . . 61 THR QG2 . 16111 1
612 . 1 1 61 61 THR CA C 13 60.067 0.300 . 1 . . . . 61 THR CA . 16111 1
613 . 1 1 61 61 THR CB C 13 70.361 0.300 . 1 . . . . 61 THR CB . 16111 1
614 . 1 1 61 61 THR CG2 C 13 21.883 0.300 . 1 . . . . 61 THR CG2 . 16111 1
615 . 1 1 61 61 THR N N 15 113.197 0.300 . 1 . . . . 61 THR N . 16111 1
616 . 1 1 62 62 PRO HA H 1 4.563 0.020 . 1 . . . . 62 PRO HA . 16111 1
617 . 1 1 62 62 PRO HB2 H 1 1.916 0.020 . 2 . . . . 62 PRO HB2 . 16111 1
618 . 1 1 62 62 PRO HB3 H 1 2.344 0.020 . 2 . . . . 62 PRO HB3 . 16111 1
619 . 1 1 62 62 PRO HD2 H 1 3.904 0.020 . 2 . . . . 62 PRO HD2 . 16111 1
620 . 1 1 62 62 PRO HD3 H 1 3.717 0.020 . 2 . . . . 62 PRO HD3 . 16111 1
621 . 1 1 62 62 PRO HG2 H 1 2.012 0.020 . 1 . . . . 62 PRO QG . 16111 1
622 . 1 1 62 62 PRO HG3 H 1 2.012 0.020 . 1 . . . . 62 PRO QG . 16111 1
623 . 1 1 62 62 PRO CA C 13 63.344 0.300 . 1 . . . . 62 PRO CA . 16111 1
624 . 1 1 62 62 PRO CB C 13 31.866 0.300 . 1 . . . . 62 PRO CB . 16111 1
625 . 1 1 62 62 PRO CD C 13 50.732 0.300 . 1 . . . . 62 PRO CD . 16111 1
626 . 1 1 62 62 PRO CG C 13 27.152 0.300 . 1 . . . . 62 PRO CG . 16111 1
627 . 1 1 62 62 PRO N N 15 138.281 0.300 . 1 . . . . 62 PRO N . 16111 1
628 . 1 1 63 63 ALA H H 1 8.584 0.020 . 1 . . . . 63 ALA H . 16111 1
629 . 1 1 63 63 ALA HA H 1 4.513 0.020 . 1 . . . . 63 ALA HA . 16111 1
630 . 1 1 63 63 ALA HB1 H 1 1.326 0.020 . 1 . . . . 63 ALA QB . 16111 1
631 . 1 1 63 63 ALA HB2 H 1 1.326 0.020 . 1 . . . . 63 ALA QB . 16111 1
632 . 1 1 63 63 ALA HB3 H 1 1.326 0.020 . 1 . . . . 63 ALA QB . 16111 1
633 . 1 1 63 63 ALA CA C 13 49.999 0.300 . 1 . . . . 63 ALA CA . 16111 1
634 . 1 1 63 63 ALA CB C 13 17.867 0.300 . 1 . . . . 63 ALA CB . 16111 1
635 . 1 1 63 63 ALA N N 15 126.922 0.300 . 1 . . . . 63 ALA N . 16111 1
636 . 1 1 64 64 PRO HA H 1 4.712 0.020 . 1 . . . . 64 PRO HA . 16111 1
637 . 1 1 64 64 PRO HB2 H 1 1.910 0.020 . 2 . . . . 64 PRO HB2 . 16111 1
638 . 1 1 64 64 PRO HB3 H 1 2.348 0.020 . 2 . . . . 64 PRO HB3 . 16111 1
639 . 1 1 64 64 PRO HD2 H 1 3.838 0.020 . 2 . . . . 64 PRO HD2 . 16111 1
640 . 1 1 64 64 PRO HD3 H 1 3.633 0.020 . 2 . . . . 64 PRO HD3 . 16111 1
641 . 1 1 64 64 PRO HG2 H 1 2.051 0.020 . 1 . . . . 64 PRO QG . 16111 1
642 . 1 1 64 64 PRO HG3 H 1 2.051 0.020 . 1 . . . . 64 PRO QG . 16111 1
643 . 1 1 64 64 PRO CA C 13 60.818 0.300 . 1 . . . . 64 PRO CA . 16111 1
644 . 1 1 64 64 PRO CB C 13 30.433 0.300 . 1 . . . . 64 PRO CB . 16111 1
645 . 1 1 64 64 PRO CD C 13 50.239 0.300 . 1 . . . . 64 PRO CD . 16111 1
646 . 1 1 64 64 PRO CG C 13 27.199 0.300 . 1 . . . . 64 PRO CG . 16111 1
647 . 1 1 64 64 PRO N N 15 136.999 0.300 . 1 . . . . 64 PRO N . 16111 1
648 . 1 1 65 65 PRO HA H 1 4.386 0.020 . 1 . . . . 65 PRO HA . 16111 1
649 . 1 1 65 65 PRO HB2 H 1 2.297 0.020 . 2 . . . . 65 PRO HB2 . 16111 1
650 . 1 1 65 65 PRO HB3 H 1 1.913 0.020 . 2 . . . . 65 PRO HB3 . 16111 1
651 . 1 1 65 65 PRO HD2 H 1 3.820 0.020 . 2 . . . . 65 PRO HD2 . 16111 1
652 . 1 1 65 65 PRO HD3 H 1 3.627 0.020 . 2 . . . . 65 PRO HD3 . 16111 1
653 . 1 1 65 65 PRO HG2 H 1 2.030 0.020 . 1 . . . . 65 PRO QG . 16111 1
654 . 1 1 65 65 PRO HG3 H 1 2.030 0.020 . 1 . . . . 65 PRO QG . 16111 1
655 . 1 1 65 65 PRO CA C 13 62.920 0.300 . 1 . . . . 65 PRO CA . 16111 1
656 . 1 1 65 65 PRO CB C 13 31.850 0.300 . 1 . . . . 65 PRO CB . 16111 1
657 . 1 1 65 65 PRO CD C 13 50.135 0.300 . 1 . . . . 65 PRO CD . 16111 1
658 . 1 1 65 65 PRO CG C 13 26.982 0.300 . 1 . . . . 65 PRO CG . 16111 1
659 . 1 1 65 65 PRO N N 15 135.390 0.300 . 1 . . . . 65 PRO N . 16111 1
660 . 1 1 66 66 GLY H H 1 8.458 0.020 . 1 . . . . 66 GLY H . 16111 1
661 . 1 1 66 66 GLY HA2 H 1 3.910 0.020 . 2 . . . . 66 GLY HA2 . 16111 1
662 . 1 1 66 66 GLY HA3 H 1 3.922 0.020 . 2 . . . . 66 GLY HA3 . 16111 1
663 . 1 1 66 66 GLY CA C 13 44.840 0.300 . 1 . . . . 66 GLY CA . 16111 1
664 . 1 1 66 66 GLY N N 15 109.185 0.300 . 1 . . . . 66 GLY N . 16111 1
665 . 1 1 67 67 ALA H H 1 7.883 0.020 . 1 . . . . 67 ALA H . 16111 1
666 . 1 1 67 67 ALA HA H 1 4.195 0.020 . 1 . . . . 67 ALA HA . 16111 1
667 . 1 1 67 67 ALA HB1 H 1 1.275 0.020 . 1 . . . . 67 ALA QB . 16111 1
668 . 1 1 67 67 ALA HB2 H 1 1.275 0.020 . 1 . . . . 67 ALA QB . 16111 1
669 . 1 1 67 67 ALA HB3 H 1 1.275 0.020 . 1 . . . . 67 ALA QB . 16111 1
670 . 1 1 67 67 ALA CA C 13 52.221 0.300 . 1 . . . . 67 ALA CA . 16111 1
671 . 1 1 67 67 ALA CB C 13 19.358 0.300 . 1 . . . . 67 ALA CB . 16111 1
672 . 1 1 67 67 ALA N N 15 123.030 0.300 . 1 . . . . 67 ALA N . 16111 1
673 . 1 1 68 68 ALA H H 1 8.121 0.020 . 1 . . . . 68 ALA H . 16111 1
674 . 1 1 68 68 ALA HA H 1 4.272 0.020 . 1 . . . . 68 ALA HA . 16111 1
675 . 1 1 68 68 ALA HB1 H 1 1.150 0.020 . 1 . . . . 68 ALA QB . 16111 1
676 . 1 1 68 68 ALA HB2 H 1 1.150 0.020 . 1 . . . . 68 ALA QB . 16111 1
677 . 1 1 68 68 ALA HB3 H 1 1.150 0.020 . 1 . . . . 68 ALA QB . 16111 1
678 . 1 1 68 68 ALA CA C 13 49.915 0.300 . 1 . . . . 68 ALA CA . 16111 1
679 . 1 1 68 68 ALA CB C 13 17.854 0.300 . 1 . . . . 68 ALA CB . 16111 1
680 . 1 1 68 68 ALA N N 15 123.321 0.300 . 1 . . . . 68 ALA N . 16111 1
681 . 1 1 69 69 PRO HA H 1 4.706 0.020 . 1 . . . . 69 PRO HA . 16111 1
682 . 1 1 69 69 PRO HB2 H 1 2.349 0.020 . 2 . . . . 69 PRO HB2 . 16111 1
683 . 1 1 69 69 PRO HB3 H 1 1.913 0.020 . 2 . . . . 69 PRO HB3 . 16111 1
684 . 1 1 69 69 PRO HD2 H 1 3.609 0.020 . 2 . . . . 69 PRO HD2 . 16111 1
685 . 1 1 69 69 PRO HD3 H 1 3.831 0.020 . 2 . . . . 69 PRO HD3 . 16111 1
686 . 1 1 69 69 PRO HG2 H 1 2.048 0.020 . 1 . . . . 69 PRO QG . 16111 1
687 . 1 1 69 69 PRO HG3 H 1 2.048 0.020 . 1 . . . . 69 PRO QG . 16111 1
688 . 1 1 69 69 PRO CA C 13 61.201 0.300 . 1 . . . . 69 PRO CA . 16111 1
689 . 1 1 69 69 PRO CB C 13 30.451 0.300 . 1 . . . . 69 PRO CB . 16111 1
690 . 1 1 69 69 PRO CD C 13 50.248 0.300 . 1 . . . . 69 PRO CD . 16111 1
691 . 1 1 69 69 PRO CG C 13 27.090 0.300 . 1 . . . . 69 PRO CG . 16111 1
692 . 1 1 69 69 PRO N N 15 136.133 0.300 . 1 . . . . 69 PRO N . 16111 1
693 . 1 1 70 70 PRO HA H 1 4.702 0.020 . 1 . . . . 70 PRO HA . 16111 1
694 . 1 1 70 70 PRO HB2 H 1 1.924 0.020 . 2 . . . . 70 PRO HB2 . 16111 1
695 . 1 1 70 70 PRO HB3 H 1 2.347 0.020 . 2 . . . . 70 PRO HB3 . 16111 1
696 . 1 1 70 70 PRO HD2 H 1 3.639 0.020 . 2 . . . . 70 PRO HD2 . 16111 1
697 . 1 1 70 70 PRO HD3 H 1 3.831 0.020 . 2 . . . . 70 PRO HD3 . 16111 1
698 . 1 1 70 70 PRO HG2 H 1 2.050 0.020 . 1 . . . . 70 PRO QG . 16111 1
699 . 1 1 70 70 PRO HG3 H 1 2.050 0.020 . 1 . . . . 70 PRO QG . 16111 1
700 . 1 1 70 70 PRO CA C 13 61.201 0.300 . 1 . . . . 70 PRO CA . 16111 1
701 . 1 1 70 70 PRO CB C 13 30.467 0.300 . 1 . . . . 70 PRO CB . 16111 1
702 . 1 1 70 70 PRO CD C 13 50.196 0.300 . 1 . . . . 70 PRO CD . 16111 1
703 . 1 1 70 70 PRO CG C 13 27.112 0.300 . 1 . . . . 70 PRO CG . 16111 1
704 . 1 1 71 71 PRO HA H 1 4.376 0.020 . 1 . . . . 71 PRO HA . 16111 1
705 . 1 1 71 71 PRO HB2 H 1 2.300 0.020 . 2 . . . . 71 PRO HB2 . 16111 1
706 . 1 1 71 71 PRO HB3 H 1 1.913 0.020 . 2 . . . . 71 PRO HB3 . 16111 1
707 . 1 1 71 71 PRO HD2 H 1 3.815 0.020 . 2 . . . . 71 PRO HD2 . 16111 1
708 . 1 1 71 71 PRO HD3 H 1 3.629 0.020 . 2 . . . . 71 PRO HD3 . 16111 1
709 . 1 1 71 71 PRO HG2 H 1 2.030 0.020 . 1 . . . . 71 PRO QG . 16111 1
710 . 1 1 71 71 PRO HG3 H 1 2.030 0.020 . 1 . . . . 71 PRO QG . 16111 1
711 . 1 1 71 71 PRO CA C 13 63.098 0.300 . 1 . . . . 71 PRO CA . 16111 1
712 . 1 1 71 71 PRO CB C 13 31.843 0.300 . 1 . . . . 71 PRO CB . 16111 1
713 . 1 1 71 71 PRO CD C 13 50.159 0.300 . 1 . . . . 71 PRO CD . 16111 1
714 . 1 1 71 71 PRO CG C 13 27.107 0.300 . 1 . . . . 71 PRO CG . 16111 1
715 . 1 1 71 71 PRO N N 15 134.869 0.300 . 1 . . . . 71 PRO N . 16111 1
716 . 1 1 72 72 ALA H H 1 8.492 0.020 . 1 . . . . 72 ALA H . 16111 1
717 . 1 1 72 72 ALA HA H 1 4.279 0.020 . 1 . . . . 72 ALA HA . 16111 1
718 . 1 1 72 72 ALA HB1 H 1 1.388 0.020 . 1 . . . . 72 ALA QB . 16111 1
719 . 1 1 72 72 ALA HB2 H 1 1.388 0.020 . 1 . . . . 72 ALA QB . 16111 1
720 . 1 1 72 72 ALA HB3 H 1 1.388 0.020 . 1 . . . . 72 ALA QB . 16111 1
721 . 1 1 72 72 ALA CA C 13 52.184 0.300 . 1 . . . . 72 ALA CA . 16111 1
722 . 1 1 72 72 ALA CB C 13 18.826 0.300 . 1 . . . . 72 ALA CB . 16111 1
723 . 1 1 72 72 ALA N N 15 124.580 0.300 . 1 . . . . 72 ALA N . 16111 1
724 . 1 1 73 73 ALA H H 1 8.343 0.020 . 1 . . . . 73 ALA H . 16111 1
725 . 1 1 73 73 ALA HA H 1 4.281 0.020 . 1 . . . . 73 ALA HA . 16111 1
726 . 1 1 73 73 ALA HB1 H 1 1.376 0.020 . 1 . . . . 73 ALA QB . 16111 1
727 . 1 1 73 73 ALA HB2 H 1 1.376 0.020 . 1 . . . . 73 ALA QB . 16111 1
728 . 1 1 73 73 ALA HB3 H 1 1.376 0.020 . 1 . . . . 73 ALA QB . 16111 1
729 . 1 1 73 73 ALA CA C 13 52.401 0.300 . 1 . . . . 73 ALA CA . 16111 1
730 . 1 1 73 73 ALA CB C 13 18.836 0.300 . 1 . . . . 73 ALA CB . 16111 1
731 . 1 1 73 73 ALA N N 15 123.311 0.300 . 1 . . . . 73 ALA N . 16111 1
732 . 1 1 74 74 GLY H H 1 8.401 0.020 . 1 . . . . 74 GLY H . 16111 1
733 . 1 1 74 74 GLY HA2 H 1 3.974 0.020 . 1 . . . . 74 GLY QA . 16111 1
734 . 1 1 74 74 GLY HA3 H 1 3.974 0.020 . 1 . . . . 74 GLY QA . 16111 1
735 . 1 1 74 74 GLY CA C 13 45.123 0.300 . 1 . . . . 74 GLY CA . 16111 1
736 . 1 1 74 74 GLY N N 15 108.669 0.300 . 1 . . . . 74 GLY N . 16111 1
737 . 1 1 75 75 GLY H H 1 8.241 0.020 . 1 . . . . 75 GLY H . 16111 1
738 . 1 1 75 75 GLY HA2 H 1 3.980 0.020 . 1 . . . . 75 GLY QA . 16111 1
739 . 1 1 75 75 GLY HA3 H 1 3.980 0.020 . 1 . . . . 75 GLY QA . 16111 1
740 . 1 1 75 75 GLY CA C 13 44.890 0.300 . 1 . . . . 75 GLY CA . 16111 1
741 . 1 1 75 75 GLY N N 15 108.352 0.300 . 1 . . . . 75 GLY N . 16111 1
742 . 1 1 76 76 SER H H 1 8.262 0.020 . 1 . . . . 76 SER H . 16111 1
743 . 1 1 76 76 SER HA H 1 4.795 0.020 . 1 . . . . 76 SER HA . 16111 1
744 . 1 1 76 76 SER HB2 H 1 3.895 0.020 . 1 . . . . 76 SER QB . 16111 1
745 . 1 1 76 76 SER HB3 H 1 3.895 0.020 . 1 . . . . 76 SER QB . 16111 1
746 . 1 1 76 76 SER CA C 13 56.015 0.300 . 1 . . . . 76 SER CA . 16111 1
747 . 1 1 76 76 SER CB C 13 63.055 0.300 . 1 . . . . 76 SER CB . 16111 1
748 . 1 1 76 76 SER N N 15 116.721 0.300 . 1 . . . . 76 SER N . 16111 1
749 . 1 1 77 77 PRO HA H 1 4.480 0.020 . 1 . . . . 77 PRO HA . 16111 1
750 . 1 1 77 77 PRO HB2 H 1 2.302 0.020 . 2 . . . . 77 PRO HB2 . 16111 1
751 . 1 1 77 77 PRO HB3 H 1 1.935 0.020 . 2 . . . . 77 PRO HB3 . 16111 1
752 . 1 1 77 77 PRO HD2 H 1 3.829 0.020 . 2 . . . . 77 PRO HD2 . 16111 1
753 . 1 1 77 77 PRO HD3 H 1 3.638 0.020 . 2 . . . . 77 PRO HD3 . 16111 1
754 . 1 1 77 77 PRO HG2 H 1 2.037 0.020 . 1 . . . . 77 PRO QG . 16111 1
755 . 1 1 77 77 PRO HG3 H 1 2.037 0.020 . 1 . . . . 77 PRO QG . 16111 1
756 . 1 1 77 77 PRO CA C 13 62.857 0.300 . 1 . . . . 77 PRO CA . 16111 1
757 . 1 1 77 77 PRO CB C 13 31.771 0.300 . 1 . . . . 77 PRO CB . 16111 1
758 . 1 1 77 77 PRO CD C 13 50.186 0.300 . 1 . . . . 77 PRO CD . 16111 1
759 . 1 1 77 77 PRO CG C 13 27.101 0.300 . 1 . . . . 77 PRO CG . 16111 1
760 . 1 1 77 77 PRO N N 15 135.128 0.300 . 1 . . . . 77 PRO N . 16111 1
761 . 1 1 78 78 SER H H 1 8.429 0.020 . 1 . . . . 78 SER H . 16111 1
762 . 1 1 78 78 SER HA H 1 4.724 0.020 . 1 . . . . 78 SER HA . 16111 1
763 . 1 1 78 78 SER HB2 H 1 3.728 0.020 . 1 . . . . 78 SER QB . 16111 1
764 . 1 1 78 78 SER HB3 H 1 3.728 0.020 . 1 . . . . 78 SER QB . 16111 1
765 . 1 1 78 78 SER CA C 13 56.150 0.300 . 1 . . . . 78 SER CA . 16111 1
766 . 1 1 78 78 SER CB C 13 62.857 0.300 . 1 . . . . 78 SER CB . 16111 1
767 . 1 1 78 78 SER N N 15 117.896 0.300 . 1 . . . . 78 SER N . 16111 1
768 . 1 1 80 80 PRO HA H 1 4.392 0.020 . 1 . . . . 80 PRO HA . 16111 1
769 . 1 1 80 80 PRO HB2 H 1 2.303 0.020 . 2 . . . . 80 PRO HB2 . 16111 1
770 . 1 1 80 80 PRO HB3 H 1 1.930 0.020 . 2 . . . . 80 PRO HB3 . 16111 1
771 . 1 1 80 80 PRO HD2 H 1 3.824 0.020 . 2 . . . . 80 PRO HD2 . 16111 1
772 . 1 1 80 80 PRO HD3 H 1 3.617 0.020 . 2 . . . . 80 PRO HD3 . 16111 1
773 . 1 1 80 80 PRO HG2 H 1 2.089 0.020 . 2 . . . . 80 PRO HG2 . 16111 1
774 . 1 1 80 80 PRO HG3 H 1 2.033 0.020 . 2 . . . . 80 PRO HG3 . 16111 1
775 . 1 1 80 80 PRO CA C 13 62.824 0.300 . 1 . . . . 80 PRO CA . 16111 1
776 . 1 1 80 80 PRO CB C 13 31.840 0.300 . 1 . . . . 80 PRO CB . 16111 1
777 . 1 1 80 80 PRO CD C 13 50.208 0.300 . 1 . . . . 80 PRO CD . 16111 1
778 . 1 1 80 80 PRO CG C 13 27.143 0.300 . 1 . . . . 80 PRO CG . 16111 1
779 . 1 1 80 80 PRO N N 15 135.447 0.300 . 1 . . . . 80 PRO N . 16111 1
780 . 1 1 81 81 ALA H H 1 8.367 0.020 . 1 . . . . 81 ALA H . 16111 1
781 . 1 1 81 81 ALA HA H 1 4.276 0.020 . 1 . . . . 81 ALA HA . 16111 1
782 . 1 1 81 81 ALA HB1 H 1 1.377 0.020 . 1 . . . . 81 ALA QB . 16111 1
783 . 1 1 81 81 ALA HB2 H 1 1.377 0.020 . 1 . . . . 81 ALA QB . 16111 1
784 . 1 1 81 81 ALA HB3 H 1 1.377 0.020 . 1 . . . . 81 ALA QB . 16111 1
785 . 1 1 81 81 ALA CA C 13 52.282 0.300 . 1 . . . . 81 ALA CA . 16111 1
786 . 1 1 81 81 ALA CB C 13 19.009 0.300 . 1 . . . . 81 ALA CB . 16111 1
787 . 1 1 81 81 ALA N N 15 124.184 0.300 . 1 . . . . 81 ALA N . 16111 1
788 . 1 1 82 82 ASP H H 1 8.290 0.020 . 1 . . . . 82 ASP H . 16111 1
789 . 1 1 82 82 ASP HA H 1 4.599 0.020 . 1 . . . . 82 ASP HA . 16111 1
790 . 1 1 82 82 ASP HB2 H 1 2.696 0.020 . 1 . . . . 82 ASP QB . 16111 1
791 . 1 1 82 82 ASP HB3 H 1 2.696 0.020 . 1 . . . . 82 ASP QB . 16111 1
792 . 1 1 82 82 ASP CA C 13 54.039 0.300 . 1 . . . . 82 ASP CA . 16111 1
793 . 1 1 82 82 ASP CB C 13 40.996 0.300 . 1 . . . . 82 ASP CB . 16111 1
794 . 1 1 82 82 ASP N N 15 119.036 0.300 . 1 . . . . 82 ASP N . 16111 1
795 . 1 1 83 83 GLY H H 1 8.326 0.020 . 1 . . . . 83 GLY H . 16111 1
796 . 1 1 83 83 GLY HA2 H 1 3.970 0.020 . 1 . . . . 83 GLY QA . 16111 1
797 . 1 1 83 83 GLY HA3 H 1 3.970 0.020 . 1 . . . . 83 GLY QA . 16111 1
798 . 1 1 83 83 GLY CA C 13 45.153 0.300 . 1 . . . . 83 GLY CA . 16111 1
799 . 1 1 83 83 GLY N N 15 109.251 0.300 . 1 . . . . 83 GLY N . 16111 1
800 . 1 1 84 84 GLY H H 1 8.326 0.020 . 1 . . . . 84 GLY H . 16111 1
801 . 1 1 84 84 GLY HA2 H 1 3.886 0.020 . 1 . . . . 84 GLY QA . 16111 1
802 . 1 1 84 84 GLY HA3 H 1 3.886 0.020 . 1 . . . . 84 GLY QA . 16111 1
803 . 1 1 84 84 GLY CA C 13 44.885 0.300 . 1 . . . . 84 GLY CA . 16111 1
804 . 1 1 84 84 GLY N N 15 108.560 0.300 . 1 . . . . 84 GLY N . 16111 1
805 . 1 1 85 85 SER H H 1 7.911 0.020 . 1 . . . . 85 SER H . 16111 1
806 . 1 1 85 85 SER HA H 1 4.590 0.020 . 1 . . . . 85 SER HA . 16111 1
807 . 1 1 85 85 SER HB2 H 1 3.743 0.020 . 1 . . . . 85 SER QB . 16111 1
808 . 1 1 85 85 SER HB3 H 1 3.743 0.020 . 1 . . . . 85 SER QB . 16111 1
809 . 1 1 85 85 SER CA C 13 54.874 0.300 . 1 . . . . 85 SER CA . 16111 1
810 . 1 1 85 85 SER CB C 13 64.120 0.300 . 1 . . . . 85 SER CB . 16111 1
811 . 1 1 85 85 SER N N 15 114.697 0.300 . 1 . . . . 85 SER N . 16111 1
812 . 1 1 86 86 PRO HA H 1 4.707 0.020 . 1 . . . . 86 PRO HA . 16111 1
813 . 1 1 86 86 PRO HB2 H 1 2.289 0.020 . 2 . . . . 86 PRO HB2 . 16111 1
814 . 1 1 86 86 PRO HD2 H 1 3.094 0.020 . 2 . . . . 86 PRO HD2 . 16111 1
815 . 1 1 86 86 PRO HD3 H 1 3.238 0.020 . 2 . . . . 86 PRO HD3 . 16111 1
816 . 1 1 86 86 PRO HG2 H 1 1.786 0.020 . 2 . . . . 86 PRO HG2 . 16111 1
817 . 1 1 86 86 PRO HG3 H 1 1.732 0.020 . 2 . . . . 86 PRO HG3 . 16111 1
818 . 1 1 86 86 PRO CA C 13 61.030 0.300 . 1 . . . . 86 PRO CA . 16111 1
819 . 1 1 86 86 PRO CB C 13 30.435 0.300 . 1 . . . . 86 PRO CB . 16111 1
820 . 1 1 86 86 PRO CD C 13 49.895 0.300 . 1 . . . . 86 PRO CD . 16111 1
821 . 1 1 86 86 PRO CG C 13 27.095 0.300 . 1 . . . . 86 PRO CG . 16111 1
822 . 1 1 86 86 PRO N N 15 138.916 0.300 . 1 . . . . 86 PRO N . 16111 1
823 . 1 1 87 87 PRO HA H 1 4.604 0.020 . 1 . . . . 87 PRO HA . 16111 1
824 . 1 1 87 87 PRO HB2 H 1 2.264 0.020 . 2 . . . . 87 PRO HB2 . 16111 1
825 . 1 1 87 87 PRO HB3 H 1 1.769 0.020 . 2 . . . . 87 PRO HB3 . 16111 1
826 . 1 1 87 87 PRO HD2 H 1 3.366 0.020 . 2 . . . . 87 PRO HD2 . 16111 1
827 . 1 1 87 87 PRO HD3 H 1 3.599 0.020 . 2 . . . . 87 PRO HD3 . 16111 1
828 . 1 1 87 87 PRO HG2 H 1 1.923 0.020 . 1 . . . . 87 PRO QG . 16111 1
829 . 1 1 87 87 PRO HG3 H 1 1.923 0.020 . 1 . . . . 87 PRO QG . 16111 1
830 . 1 1 87 87 PRO CA C 13 61.007 0.300 . 1 . . . . 87 PRO CA . 16111 1
831 . 1 1 87 87 PRO CB C 13 30.393 0.300 . 1 . . . . 87 PRO CB . 16111 1
832 . 1 1 87 87 PRO CD C 13 50.063 0.300 . 1 . . . . 87 PRO CD . 16111 1
833 . 1 1 87 87 PRO CG C 13 27.048 0.300 . 1 . . . . 87 PRO CG . 16111 1
834 . 1 1 87 87 PRO N N 15 136.100 0.300 . 1 . . . . 87 PRO N . 16111 1
835 . 1 1 88 88 PRO HA H 1 4.734 0.020 . 1 . . . . 88 PRO HA . 16111 1
836 . 1 1 88 88 PRO HD2 H 1 3.757 0.020 . 1 . . . . 88 PRO HD2 . 16111 1
837 . 1 1 88 88 PRO CA C 13 59.609 0.300 . 1 . . . . 88 PRO CA . 16111 1
838 . 1 1 88 88 PRO CD C 13 50.680 0.300 . 1 . . . . 88 PRO CD . 16111 1
839 . 1 1 88 88 PRO N N 15 138.980 0.300 . 1 . . . . 88 PRO N . 16111 1
840 . 1 1 89 89 PRO HA H 1 4.399 0.020 . 1 . . . . 89 PRO HA . 16111 1
841 . 1 1 89 89 PRO HB2 H 1 2.303 0.020 . 2 . . . . 89 PRO HB2 . 16111 1
842 . 1 1 89 89 PRO HB3 H 1 1.930 0.020 . 2 . . . . 89 PRO HB3 . 16111 1
843 . 1 1 89 89 PRO HD2 H 1 3.824 0.020 . 2 . . . . 89 PRO HD2 . 16111 1
844 . 1 1 89 89 PRO HD3 H 1 3.635 0.020 . 2 . . . . 89 PRO HD3 . 16111 1
845 . 1 1 89 89 PRO HG2 H 1 2.089 0.020 . 2 . . . . 89 PRO HG2 . 16111 1
846 . 1 1 89 89 PRO HG3 H 1 2.033 0.020 . 2 . . . . 89 PRO HG3 . 16111 1
847 . 1 1 89 89 PRO CA C 13 62.828 0.300 . 1 . . . . 89 PRO CA . 16111 1
848 . 1 1 89 89 PRO CB C 13 31.840 0.300 . 1 . . . . 89 PRO CB . 16111 1
849 . 1 1 89 89 PRO CD C 13 50.208 0.300 . 1 . . . . 89 PRO CD . 16111 1
850 . 1 1 89 89 PRO CG C 13 27.143 0.300 . 1 . . . . 89 PRO CG . 16111 1
851 . 1 1 89 89 PRO N N 15 135.005 0.300 . 1 . . . . 89 PRO N . 16111 1
852 . 1 1 90 90 ALA H H 1 8.469 0.020 . 1 . . . . 90 ALA H . 16111 1
853 . 1 1 90 90 ALA HA H 1 4.269 0.020 . 1 . . . . 90 ALA HA . 16111 1
854 . 1 1 90 90 ALA HB1 H 1 1.380 0.020 . 1 . . . . 90 ALA QB . 16111 1
855 . 1 1 90 90 ALA HB2 H 1 1.380 0.020 . 1 . . . . 90 ALA QB . 16111 1
856 . 1 1 90 90 ALA HB3 H 1 1.380 0.020 . 1 . . . . 90 ALA QB . 16111 1
857 . 1 1 90 90 ALA CA C 13 52.299 0.300 . 1 . . . . 90 ALA CA . 16111 1
858 . 1 1 90 90 ALA CB C 13 19.016 0.300 . 1 . . . . 90 ALA CB . 16111 1
859 . 1 1 90 90 ALA N N 15 124.572 0.300 . 1 . . . . 90 ALA N . 16111 1
860 . 1 1 91 91 ASP H H 1 7.966 0.020 . 1 . . . . 91 ASP H . 16111 1
861 . 1 1 91 91 ASP HA H 1 4.468 0.020 . 1 . . . . 91 ASP HA . 16111 1
862 . 1 1 91 91 ASP HB2 H 1 2.764 0.020 . 1 . . . . 91 ASP QB . 16111 1
863 . 1 1 91 91 ASP HB3 H 1 2.764 0.020 . 1 . . . . 91 ASP QB . 16111 1
864 . 1 1 91 91 ASP CA C 13 54.303 0.300 . 1 . . . . 91 ASP CA . 16111 1
865 . 1 1 91 91 ASP CB C 13 40.854 0.300 . 1 . . . . 91 ASP CB . 16111 1
866 . 1 1 91 91 ASP N N 15 123.030 0.300 . 1 . . . . 91 ASP N . 16111 1
867 . 1 1 92 92 GLY H H 1 8.327 0.020 . 1 . . . . 92 GLY H . 16111 1
868 . 1 1 92 92 GLY HA2 H 1 3.966 0.020 . 1 . . . . 92 GLY QA . 16111 1
869 . 1 1 92 92 GLY HA3 H 1 3.966 0.020 . 1 . . . . 92 GLY QA . 16111 1
870 . 1 1 92 92 GLY CA C 13 45.225 0.300 . 1 . . . . 92 GLY CA . 16111 1
871 . 1 1 92 92 GLY N N 15 109.252 0.300 . 1 . . . . 92 GLY N . 16111 1
872 . 1 1 93 93 GLY H H 1 8.241 0.020 . 1 . . . . 93 GLY H . 16111 1
873 . 1 1 93 93 GLY HA2 H 1 3.992 0.020 . 1 . . . . 93 GLY QA . 16111 1
874 . 1 1 93 93 GLY HA3 H 1 3.992 0.020 . 1 . . . . 93 GLY QA . 16111 1
875 . 1 1 93 93 GLY CA C 13 45.015 0.300 . 1 . . . . 93 GLY CA . 16111 1
876 . 1 1 93 93 GLY N N 15 108.344 0.300 . 1 . . . . 93 GLY N . 16111 1
877 . 1 1 94 94 SER H H 1 7.981 0.020 . 1 . . . . 94 SER H . 16111 1
878 . 1 1 94 94 SER HA H 1 4.632 0.020 . 1 . . . . 94 SER HA . 16111 1
879 . 1 1 94 94 SER HB2 H 1 3.737 0.020 . 1 . . . . 94 SER QB . 16111 1
880 . 1 1 94 94 SER HB3 H 1 3.737 0.020 . 1 . . . . 94 SER QB . 16111 1
881 . 1 1 94 94 SER CA C 13 55.326 0.300 . 1 . . . . 94 SER CA . 16111 1
882 . 1 1 94 94 SER CB C 13 63.922 0.300 . 1 . . . . 94 SER CB . 16111 1
883 . 1 1 94 94 SER N N 15 114.887 0.300 . 1 . . . . 94 SER N . 16111 1
884 . 1 1 95 95 PRO HA H 1 5.021 0.020 . 1 . . . . 95 PRO HA . 16111 1
885 . 1 1 95 95 PRO HB2 H 1 2.451 0.020 . 2 . . . . 95 PRO HB2 . 16111 1
886 . 1 1 95 95 PRO HB3 H 1 2.125 0.020 . 2 . . . . 95 PRO HB3 . 16111 1
887 . 1 1 95 95 PRO HD2 H 1 3.600 0.020 . 2 . . . . 95 PRO HD2 . 16111 1
888 . 1 1 95 95 PRO HD3 H 1 3.551 0.020 . 2 . . . . 95 PRO HD3 . 16111 1
889 . 1 1 95 95 PRO HG2 H 1 1.968 0.020 . 2 . . . . 95 PRO HG2 . 16111 1
890 . 1 1 95 95 PRO HG3 H 1 1.880 0.020 . 2 . . . . 95 PRO HG3 . 16111 1
891 . 1 1 95 95 PRO CA C 13 61.633 0.300 . 1 . . . . 95 PRO CA . 16111 1
892 . 1 1 95 95 PRO CB C 13 32.507 0.300 . 1 . . . . 95 PRO CB . 16111 1
893 . 1 1 95 95 PRO CD C 13 50.214 0.300 . 1 . . . . 95 PRO CD . 16111 1
894 . 1 1 95 95 PRO CG C 13 24.451 0.300 . 1 . . . . 95 PRO CG . 16111 1
895 . 1 1 95 95 PRO N N 15 138.465 0.300 . 1 . . . . 95 PRO N . 16111 1
896 . 1 1 96 96 PRO HA H 1 4.458 0.020 . 1 . . . . 96 PRO HA . 16111 1
897 . 1 1 96 96 PRO HB2 H 1 2.306 0.020 . 2 . . . . 96 PRO HB2 . 16111 1
898 . 1 1 96 96 PRO HB3 H 1 1.932 0.020 . 2 . . . . 96 PRO HB3 . 16111 1
899 . 1 1 96 96 PRO HD2 H 1 3.827 0.020 . 2 . . . . 96 PRO HD2 . 16111 1
900 . 1 1 96 96 PRO HD3 H 1 3.650 0.020 . 2 . . . . 96 PRO HD3 . 16111 1
901 . 1 1 96 96 PRO HG2 H 1 2.041 0.020 . 1 . . . . 96 PRO QG . 16111 1
902 . 1 1 96 96 PRO HG3 H 1 2.041 0.020 . 1 . . . . 96 PRO QG . 16111 1
903 . 1 1 96 96 PRO CA C 13 62.792 0.300 . 1 . . . . 96 PRO CA . 16111 1
904 . 1 1 96 96 PRO CB C 13 31.705 0.300 . 1 . . . . 96 PRO CB . 16111 1
905 . 1 1 96 96 PRO CD C 13 50.281 0.300 . 1 . . . . 96 PRO CD . 16111 1
906 . 1 1 96 96 PRO CG C 13 27.239 0.300 . 1 . . . . 96 PRO CG . 16111 1
907 . 1 1 96 96 PRO N N 15 135.255 0.300 . 1 . . . . 96 PRO N . 16111 1
908 . 1 1 97 97 VAL H H 1 8.287 0.020 . 1 . . . . 97 VAL H . 16111 1
909 . 1 1 97 97 VAL HA H 1 4.097 0.020 . 1 . . . . 97 VAL HA . 16111 1
910 . 1 1 97 97 VAL HB H 1 2.077 0.020 . 1 . . . . 97 VAL HB . 16111 1
911 . 1 1 97 97 VAL HG11 H 1 0.934 0.020 . 1 . . . . 97 VAL QG1 . 16111 1
912 . 1 1 97 97 VAL HG12 H 1 0.934 0.020 . 1 . . . . 97 VAL QG1 . 16111 1
913 . 1 1 97 97 VAL HG13 H 1 0.934 0.020 . 1 . . . . 97 VAL QG1 . 16111 1
914 . 1 1 97 97 VAL CA C 13 62.055 0.300 . 1 . . . . 97 VAL CA . 16111 1
915 . 1 1 97 97 VAL CB C 13 32.521 0.300 . 1 . . . . 97 VAL CB . 16111 1
916 . 1 1 97 97 VAL CG1 C 13 20.325 0.300 . 1 . . . . 97 VAL CG1 . 16111 1
917 . 1 1 97 97 VAL N N 15 119.959 0.300 . 1 . . . . 97 VAL N . 16111 1
918 . 1 1 98 98 ASP H H 1 8.418 0.020 . 1 . . . . 98 ASP H . 16111 1
919 . 1 1 98 98 ASP HA H 1 4.606 0.020 . 1 . . . . 98 ASP HA . 16111 1
920 . 1 1 98 98 ASP HB2 H 1 2.703 0.020 . 1 . . . . 98 ASP QB . 16111 1
921 . 1 1 98 98 ASP HB3 H 1 2.703 0.020 . 1 . . . . 98 ASP QB . 16111 1
922 . 1 1 98 98 ASP CA C 13 54.040 0.300 . 1 . . . . 98 ASP CA . 16111 1
923 . 1 1 98 98 ASP CB C 13 40.935 0.300 . 1 . . . . 98 ASP CB . 16111 1
924 . 1 1 98 98 ASP N N 15 123.531 0.300 . 1 . . . . 98 ASP N . 16111 1
925 . 1 1 99 99 GLY H H 1 8.389 0.020 . 1 . . . . 99 GLY H . 16111 1
926 . 1 1 99 99 GLY HA2 H 1 3.974 0.020 . 1 . . . . 99 GLY QA . 16111 1
927 . 1 1 99 99 GLY HA3 H 1 3.974 0.020 . 1 . . . . 99 GLY QA . 16111 1
928 . 1 1 99 99 GLY CA C 13 45.012 0.300 . 1 . . . . 99 GLY CA . 16111 1
929 . 1 1 99 99 GLY N N 15 109.812 0.300 . 1 . . . . 99 GLY N . 16111 1
930 . 1 1 100 100 GLY H H 1 8.328 0.020 . 1 . . . . 100 GLY H . 16111 1
931 . 1 1 100 100 GLY HA2 H 1 3.983 0.020 . 1 . . . . 100 GLY QA . 16111 1
932 . 1 1 100 100 GLY HA3 H 1 3.983 0.020 . 1 . . . . 100 GLY QA . 16111 1
933 . 1 1 100 100 GLY CA C 13 44.962 0.300 . 1 . . . . 100 GLY CA . 16111 1
934 . 1 1 100 100 GLY N N 15 108.545 0.300 . 1 . . . . 100 GLY N . 16111 1
935 . 1 1 101 101 SER H H 1 8.203 0.020 . 1 . . . . 101 SER H . 16111 1
936 . 1 1 101 101 SER HA H 1 4.773 0.020 . 1 . . . . 101 SER HA . 16111 1
937 . 1 1 101 101 SER HB2 H 1 3.757 0.020 . 2 . . . . 101 SER HB2 . 16111 1
938 . 1 1 101 101 SER HB3 H 1 3.883 0.020 . 2 . . . . 101 SER HB3 . 16111 1
939 . 1 1 101 101 SER CA C 13 56.126 0.300 . 1 . . . . 101 SER CA . 16111 1
940 . 1 1 101 101 SER CB C 13 63.155 0.300 . 1 . . . . 101 SER CB . 16111 1
941 . 1 1 101 101 SER N N 15 116.775 0.300 . 1 . . . . 101 SER N . 16111 1
942 . 1 1 102 102 PRO HA H 1 4.573 0.020 . 1 . . . . 102 PRO HA . 16111 1
943 . 1 1 103 103 PRO HA H 1 5.025 0.020 . 1 . . . . 103 PRO HA . 16111 1
944 . 1 1 103 103 PRO HB2 H 1 2.449 0.020 . 2 . . . . 103 PRO HB2 . 16111 1
945 . 1 1 103 103 PRO HB3 H 1 2.129 0.020 . 2 . . . . 103 PRO HB3 . 16111 1
946 . 1 1 103 103 PRO HD2 H 1 3.600 0.020 . 2 . . . . 103 PRO HD2 . 16111 1
947 . 1 1 103 103 PRO HD3 H 1 3.550 0.020 . 2 . . . . 103 PRO HD3 . 16111 1
948 . 1 1 103 103 PRO HG2 H 1 1.968 0.020 . 2 . . . . 103 PRO HG2 . 16111 1
949 . 1 1 103 103 PRO HG3 H 1 1.880 0.020 . 2 . . . . 103 PRO HG3 . 16111 1
950 . 1 1 103 103 PRO CA C 13 61.847 0.300 . 1 . . . . 103 PRO CA . 16111 1
951 . 1 1 103 103 PRO CB C 13 32.608 0.300 . 1 . . . . 103 PRO CB . 16111 1
952 . 1 1 103 103 PRO CD C 13 50.032 0.300 . 1 . . . . 103 PRO CD . 16111 1
953 . 1 1 103 103 PRO CG C 13 24.534 0.300 . 1 . . . . 103 PRO CG . 16111 1
954 . 1 1 103 103 PRO N N 15 133.488 0.300 . 1 . . . . 103 PRO N . 16111 1
955 . 1 1 104 104 PRO HA H 1 4.658 0.020 . 1 . . . . 104 PRO HA . 16111 1
956 . 1 1 104 104 PRO HB2 H 1 2.265 0.020 . 2 . . . . 104 PRO HB2 . 16111 1
957 . 1 1 104 104 PRO HB3 H 1 1.909 0.020 . 2 . . . . 104 PRO HB3 . 16111 1
958 . 1 1 104 104 PRO HD2 H 1 3.776 0.020 . 2 . . . . 104 PRO HD2 . 16111 1
959 . 1 1 104 104 PRO HD3 H 1 3.582 0.020 . 2 . . . . 104 PRO HD3 . 16111 1
960 . 1 1 104 104 PRO HG2 H 1 2.045 0.020 . 1 . . . . 104 PRO QG . 16111 1
961 . 1 1 104 104 PRO HG3 H 1 2.045 0.020 . 1 . . . . 104 PRO QG . 16111 1
962 . 1 1 104 104 PRO CA C 13 61.111 0.300 . 1 . . . . 104 PRO CA . 16111 1
963 . 1 1 104 104 PRO CB C 13 30.452 0.300 . 1 . . . . 104 PRO CB . 16111 1
964 . 1 1 104 104 PRO CD C 13 50.143 0.300 . 1 . . . . 104 PRO CD . 16111 1
965 . 1 1 104 104 PRO CG C 13 27.094 0.300 . 1 . . . . 104 PRO CG . 16111 1
966 . 1 1 104 104 PRO N N 15 135.404 0.300 . 1 . . . . 104 PRO N . 16111 1
967 . 1 1 105 105 PRO HA H 1 4.456 0.020 . 1 . . . . 105 PRO HA . 16111 1
968 . 1 1 105 105 PRO HB2 H 1 2.296 0.020 . 2 . . . . 105 PRO HB2 . 16111 1
969 . 1 1 105 105 PRO HB3 H 1 1.927 0.020 . 2 . . . . 105 PRO HB3 . 16111 1
970 . 1 1 105 105 PRO HD2 H 1 3.820 0.020 . 2 . . . . 105 PRO HD2 . 16111 1
971 . 1 1 105 105 PRO HD3 H 1 3.630 0.020 . 2 . . . . 105 PRO HD3 . 16111 1
972 . 1 1 105 105 PRO HG2 H 1 2.037 0.020 . 1 . . . . 105 PRO QG . 16111 1
973 . 1 1 105 105 PRO HG3 H 1 2.037 0.020 . 1 . . . . 105 PRO QG . 16111 1
974 . 1 1 105 105 PRO CA C 13 62.807 0.300 . 1 . . . . 105 PRO CA . 16111 1
975 . 1 1 105 105 PRO CB C 13 31.623 0.300 . 1 . . . . 105 PRO CB . 16111 1
976 . 1 1 105 105 PRO CD C 13 50.329 0.300 . 1 . . . . 105 PRO CD . 16111 1
977 . 1 1 105 105 PRO CG C 13 27.172 0.300 . 1 . . . . 105 PRO CG . 16111 1
978 . 1 1 105 105 PRO N N 15 134.871 0.300 . 1 . . . . 105 PRO N . 16111 1
979 . 1 1 106 106 SER H H 1 8.460 0.020 . 1 . . . . 106 SER H . 16111 1
980 . 1 1 106 106 SER HA H 1 4.504 0.020 . 1 . . . . 106 SER HA . 16111 1
981 . 1 1 106 106 SER HB2 H 1 3.907 0.020 . 1 . . . . 106 SER QB . 16111 1
982 . 1 1 106 106 SER HB3 H 1 3.907 0.020 . 1 . . . . 106 SER QB . 16111 1
983 . 1 1 106 106 SER CA C 13 57.962 0.300 . 1 . . . . 106 SER CA . 16111 1
984 . 1 1 106 106 SER CB C 13 63.612 0.300 . 1 . . . . 106 SER CB . 16111 1
985 . 1 1 106 106 SER N N 15 115.724 0.300 . 1 . . . . 106 SER N . 16111 1
986 . 1 1 107 107 THR H H 1 8.169 0.020 . 1 . . . . 107 THR H . 16111 1
987 . 1 1 107 107 THR HA H 1 4.354 0.020 . 1 . . . . 107 THR HA . 16111 1
988 . 1 1 107 107 THR HB H 1 4.258 0.020 . 1 . . . . 107 THR HB . 16111 1
989 . 1 1 107 107 THR HG21 H 1 1.178 0.020 . 1 . . . . 107 THR QG2 . 16111 1
990 . 1 1 107 107 THR HG22 H 1 1.178 0.020 . 1 . . . . 107 THR QG2 . 16111 1
991 . 1 1 107 107 THR HG23 H 1 1.178 0.020 . 1 . . . . 107 THR QG2 . 16111 1
992 . 1 1 107 107 THR CA C 13 61.313 0.300 . 1 . . . . 107 THR CA . 16111 1
993 . 1 1 107 107 THR CB C 13 69.465 0.300 . 1 . . . . 107 THR CB . 16111 1
994 . 1 1 107 107 THR CG2 C 13 21.334 0.300 . 1 . . . . 107 THR CG2 . 16111 1
995 . 1 1 107 107 THR N N 15 115.310 0.300 . 1 . . . . 107 THR N . 16111 1
996 . 1 1 108 108 HIS H H 1 8.013 0.020 . 1 . . . . 108 HIS H . 16111 1
997 . 1 1 108 108 HIS HA H 1 4.476 0.020 . 1 . . . . 108 HIS HA . 16111 1
998 . 1 1 108 108 HIS HB2 H 1 3.224 0.020 . 2 . . . . 108 HIS HB2 . 16111 1
999 . 1 1 108 108 HIS HB3 H 1 3.070 0.020 . 2 . . . . 108 HIS HB3 . 16111 1
1000 . 1 1 108 108 HIS CA C 13 56.911 0.300 . 1 . . . . 108 HIS CA . 16111 1
1001 . 1 1 108 108 HIS CB C 13 30.155 0.300 . 1 . . . . 108 HIS CB . 16111 1
1002 . 1 1 108 108 HIS N N 15 125.204 0.300 . 1 . . . . 108 HIS N . 16111 1
stop_
save_