data_16389
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16389
_Entry.Title
;
Solution NMR structure of protein of unknown function (NP_247299.1) from Methanococcus jannaschii
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2009-06-30
_Entry.Accession_date 2009-06-30
_Entry.Last_release_date 2011-05-19
_Entry.Original_release_date 2011-05-19
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.13
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES'
_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 Kristaps Jaudzems N. . . 16389
2 Biswaranjan Mohanty . . . 16389
3 Michael Geralt . . . 16389
4 Pedro Serrano . . . 16389
5 Ian Wilson . . . 16389
6 Kurt Wuthrich . . . 16389
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
. 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 16389
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
PROTEIN . 16389
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 16389
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 367 16389
'15N chemical shifts' 113 16389
'1H chemical shifts' 781 16389
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2011-05-19 2009-06-30 original author . 16389
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2KLA 'BMRB Entry Tracking System' 16389
stop_
save_
###############
# Citations #
###############
save_citations
_Citation.Sf_category citations
_Citation.Sf_framecode citations
_Citation.Entry_ID 16389
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 20944234
_Citation.Full_citation .
_Citation.Title 'NMR structure of the protein NP_247299.1: comparison with the crystal structure.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun.'
_Citation.Journal_name_full 'Acta crystallographica. Section F, Structural biology and crystallization communications'
_Citation.Journal_volume 66
_Citation.Journal_issue 'Pt 10'
_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 1367
_Citation.Page_last 1380
_Citation.Year 2010
_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 Kristaps Jaudzems . . . 16389 1
2 Michael Geralt . . . 16389 1
3 Pedro Serrano . . . 16389 1
4 Biswaranjan Mohanty . . . 16389 1
5 Reto Horst . . . 16389 1
6 Bill Pedrini . . . 16389 1
7 'Marc Andre' Elsliger . . . 16389 1
8 Ian Wilson . A. . 16389 1
9 Kurt Wuthrich . . . 16389 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 16389
_Assembly.ID 1
_Assembly.Name NP_247299.1
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 NP_247299.1 1 $entity A . yes native no no . . . 16389 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity
_Entity.Sf_category entity
_Entity.Sf_framecode entity
_Entity.Entry_ID 16389
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name NP_247299.1
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GHMINMKVAISMDVDKISNS
FEDCKYFLIVRIDDNEVKST
KVIFNDESGKKSIVKENVNA
IICKNISEENYKKFSKKIEI
YHAEGDDVDKNISLFIEGEL
SKISNP
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 106
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 12109.914
_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 2KLA . "Nmr Structure Of A Putative Dinitrogenase (Mj0327) From Methanococcus Jannaschii" . . . . . 100.00 106 100.00 100.00 1.49e-65 . . . . 16389 1
2 no PDB 2QTD . "Crystal Structure Of A Putative Dinitrogenase (Mj0327) From Methanocaldococcus Jannaschii Dsm At 1.70 A Resolution" . . . . . 97.17 105 98.06 98.06 3.38e-60 . . . . 16389 1
3 no GB AAB98315 . "hypothetical protein MJ_0327 [Methanocaldococcus jannaschii DSM 2661]" . . . . . 98.11 104 100.00 100.00 2.66e-63 . . . . 16389 1
4 no SP Q57773 . "RecName: Full=Uncharacterized protein MJ0327" . . . . . 98.11 104 100.00 100.00 2.66e-63 . . . . 16389 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . GLY . 16389 1
2 . HIS . 16389 1
3 . MET . 16389 1
4 . ILE . 16389 1
5 . ASN . 16389 1
6 . MET . 16389 1
7 . LYS . 16389 1
8 . VAL . 16389 1
9 . ALA . 16389 1
10 . ILE . 16389 1
11 . SER . 16389 1
12 . MET . 16389 1
13 . ASP . 16389 1
14 . VAL . 16389 1
15 . ASP . 16389 1
16 . LYS . 16389 1
17 . ILE . 16389 1
18 . SER . 16389 1
19 . ASN . 16389 1
20 . SER . 16389 1
21 . PHE . 16389 1
22 . GLU . 16389 1
23 . ASP . 16389 1
24 . CYS . 16389 1
25 . LYS . 16389 1
26 . TYR . 16389 1
27 . PHE . 16389 1
28 . LEU . 16389 1
29 . ILE . 16389 1
30 . VAL . 16389 1
31 . ARG . 16389 1
32 . ILE . 16389 1
33 . ASP . 16389 1
34 . ASP . 16389 1
35 . ASN . 16389 1
36 . GLU . 16389 1
37 . VAL . 16389 1
38 . LYS . 16389 1
39 . SER . 16389 1
40 . THR . 16389 1
41 . LYS . 16389 1
42 . VAL . 16389 1
43 . ILE . 16389 1
44 . PHE . 16389 1
45 . ASN . 16389 1
46 . ASP . 16389 1
47 . GLU . 16389 1
48 . SER . 16389 1
49 . GLY . 16389 1
50 . LYS . 16389 1
51 . LYS . 16389 1
52 . SER . 16389 1
53 . ILE . 16389 1
54 . VAL . 16389 1
55 . LYS . 16389 1
56 . GLU . 16389 1
57 . ASN . 16389 1
58 . VAL . 16389 1
59 . ASN . 16389 1
60 . ALA . 16389 1
61 . ILE . 16389 1
62 . ILE . 16389 1
63 . CYS . 16389 1
64 . LYS . 16389 1
65 . ASN . 16389 1
66 . ILE . 16389 1
67 . SER . 16389 1
68 . GLU . 16389 1
69 . GLU . 16389 1
70 . ASN . 16389 1
71 . TYR . 16389 1
72 . LYS . 16389 1
73 . LYS . 16389 1
74 . PHE . 16389 1
75 . SER . 16389 1
76 . LYS . 16389 1
77 . LYS . 16389 1
78 . ILE . 16389 1
79 . GLU . 16389 1
80 . ILE . 16389 1
81 . TYR . 16389 1
82 . HIS . 16389 1
83 . ALA . 16389 1
84 . GLU . 16389 1
85 . GLY . 16389 1
86 . ASP . 16389 1
87 . ASP . 16389 1
88 . VAL . 16389 1
89 . ASP . 16389 1
90 . LYS . 16389 1
91 . ASN . 16389 1
92 . ILE . 16389 1
93 . SER . 16389 1
94 . LEU . 16389 1
95 . PHE . 16389 1
96 . ILE . 16389 1
97 . GLU . 16389 1
98 . GLY . 16389 1
99 . GLU . 16389 1
100 . LEU . 16389 1
101 . SER . 16389 1
102 . LYS . 16389 1
103 . ILE . 16389 1
104 . SER . 16389 1
105 . ASN . 16389 1
106 . PRO . 16389 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 16389 1
. HIS 2 2 16389 1
. MET 3 3 16389 1
. ILE 4 4 16389 1
. ASN 5 5 16389 1
. MET 6 6 16389 1
. LYS 7 7 16389 1
. VAL 8 8 16389 1
. ALA 9 9 16389 1
. ILE 10 10 16389 1
. SER 11 11 16389 1
. MET 12 12 16389 1
. ASP 13 13 16389 1
. VAL 14 14 16389 1
. ASP 15 15 16389 1
. LYS 16 16 16389 1
. ILE 17 17 16389 1
. SER 18 18 16389 1
. ASN 19 19 16389 1
. SER 20 20 16389 1
. PHE 21 21 16389 1
. GLU 22 22 16389 1
. ASP 23 23 16389 1
. CYS 24 24 16389 1
. LYS 25 25 16389 1
. TYR 26 26 16389 1
. PHE 27 27 16389 1
. LEU 28 28 16389 1
. ILE 29 29 16389 1
. VAL 30 30 16389 1
. ARG 31 31 16389 1
. ILE 32 32 16389 1
. ASP 33 33 16389 1
. ASP 34 34 16389 1
. ASN 35 35 16389 1
. GLU 36 36 16389 1
. VAL 37 37 16389 1
. LYS 38 38 16389 1
. SER 39 39 16389 1
. THR 40 40 16389 1
. LYS 41 41 16389 1
. VAL 42 42 16389 1
. ILE 43 43 16389 1
. PHE 44 44 16389 1
. ASN 45 45 16389 1
. ASP 46 46 16389 1
. GLU 47 47 16389 1
. SER 48 48 16389 1
. GLY 49 49 16389 1
. LYS 50 50 16389 1
. LYS 51 51 16389 1
. SER 52 52 16389 1
. ILE 53 53 16389 1
. VAL 54 54 16389 1
. LYS 55 55 16389 1
. GLU 56 56 16389 1
. ASN 57 57 16389 1
. VAL 58 58 16389 1
. ASN 59 59 16389 1
. ALA 60 60 16389 1
. ILE 61 61 16389 1
. ILE 62 62 16389 1
. CYS 63 63 16389 1
. LYS 64 64 16389 1
. ASN 65 65 16389 1
. ILE 66 66 16389 1
. SER 67 67 16389 1
. GLU 68 68 16389 1
. GLU 69 69 16389 1
. ASN 70 70 16389 1
. TYR 71 71 16389 1
. LYS 72 72 16389 1
. LYS 73 73 16389 1
. PHE 74 74 16389 1
. SER 75 75 16389 1
. LYS 76 76 16389 1
. LYS 77 77 16389 1
. ILE 78 78 16389 1
. GLU 79 79 16389 1
. ILE 80 80 16389 1
. TYR 81 81 16389 1
. HIS 82 82 16389 1
. ALA 83 83 16389 1
. GLU 84 84 16389 1
. GLY 85 85 16389 1
. ASP 86 86 16389 1
. ASP 87 87 16389 1
. VAL 88 88 16389 1
. ASP 89 89 16389 1
. LYS 90 90 16389 1
. ASN 91 91 16389 1
. ILE 92 92 16389 1
. SER 93 93 16389 1
. LEU 94 94 16389 1
. PHE 95 95 16389 1
. ILE 96 96 16389 1
. GLU 97 97 16389 1
. GLY 98 98 16389 1
. GLU 99 99 16389 1
. LEU 100 100 16389 1
. SER 101 101 16389 1
. LYS 102 102 16389 1
. ILE 103 103 16389 1
. SER 104 104 16389 1
. ASN 105 105 16389 1
. PRO 106 106 16389 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 16389
_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 $entity . 2190 organism . 'Methanococcus jannaschii' 'Methanococcus jannaschii' . . Archaea . Methanococcus jannaschii . . . . . . . . . . . . . . . . . . . . . 16389 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 16389
_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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . . . . . . . . . . . pET28b . . . . . . 16389 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 16389
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '0.9 mM [U-98% 13C; U-98% 15N]'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% 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 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 0.9 . . mM . . . . 16389 1
2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16389 1
3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16389 1
4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 16389 1
5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16389 1
6 H2O 'natural abundance' . . . . . . 5 . . % . . . . 16389 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 16389
_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' 0.029 . M 16389 1
pH 6.5 . pH 16389 1
pressure 1 . atm 16389 1
temperature 313 . K 16389 1
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 16389
_Software.ID 1
_Software.Name CYANA
_Software.Version 3.0
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'P.GUNTERT ET AL.' . . 16389 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 16389 1
stop_
save_
save_OPAL
_Software.Sf_category software
_Software.Sf_framecode OPAL
_Software.Entry_ID 16389
_Software.ID 2
_Software.Name OPAL
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Luginbuhl, Guntert, Billeter and Wuthrich' . . 16389 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 16389 2
stop_
save_
save_TOPSPIN
_Software.Sf_category software
_Software.Sf_framecode TOPSPIN
_Software.Entry_ID 16389
_Software.ID 3
_Software.Name TOPSPIN
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bruker Biospin' . . 16389 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 16389 3
processing 16389 3
stop_
save_
save_Molmol
_Software.Sf_category software
_Software.Sf_framecode Molmol
_Software.Entry_ID 16389
_Software.ID 4
_Software.Name Molmol
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Koradi, Billeter and Wuthrich' . . 16389 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 16389 4
stop_
save_
save_UNIO
_Software.Sf_category software
_Software.Sf_framecode UNIO
_Software.Entry_ID 16389
_Software.ID 5
_Software.Name UNIO
_Software.Version 1.0.2
_Software.Details
;
includes
MATCH for automated backbone assignment, ATNOS/ASCAN for automated sidechain assignment, ATNOS/CANDID for automated NMR structure calculation
;
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'T. Herrmann, F. Fiorito, J. Volk' . http://perso.ens-lyon.fr/torsten.herrmann/Herrmann/Software.html 16389 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 16389 5
'peak picking' 16389 5
'structure solution' 16389 5
stop_
save_
save_CARA
_Software.Sf_category software
_Software.Sf_framecode CARA
_Software.Entry_ID 16389
_Software.ID 6
_Software.Name CARA
_Software.Version 1.8.4
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Keller . . 16389 6
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 16389 6
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 16389
_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 16389
_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 16389
_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 . . . 16389 1
2 spectrometer_2 Bruker Avance . 800 . . . 16389 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 16389
_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 [15N,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16389 1
2 '5D APSY-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16389 1
3 '4D APSY-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16389 1
4 '5D APSY-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16389 1
5 '3D 15N-RESOLVED [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16389 1
6 '3D 13C(aliphatic)-RESOLVED [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16389 1
7 '3D 13C(aromatic)-RESOLVED [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16389 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 16389
_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 water protons . . . . ppm 4.607 internal indirect 0.2514508431572067088596855732873791566817 . . . . . . . . . 16389 1
H 1 water protons . . . . ppm 4.607 internal direct 1.00000000000 . . . . . . . . . 16389 1
N 15 water protons . . . . ppm 4.607 internal indirect 0.1013291102666951859414146835947079239304 . . . . . . . . . 16389 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 16389
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
2 '5D APSY-HACACONH' . . . 16389 1
3 '4D APSY-HACANH' . . . 16389 1
4 '5D APSY-CBCACONH' . . . 16389 1
5 '3D 15N-RESOLVED [1H,1H]-NOESY' . . . 16389 1
6 '3D 13C(aliphatic)-RESOLVED [1H,1H]-NOESY' . . . 16389 1
7 '3D 13C(aromatic)-RESOLVED [1H,1H]-NOESY' . . . 16389 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
5 $UNIO . . 16389 1
6 $CARA . . 16389 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY HA2 H 1 3.733 0.020 . 1 . . . . 1 GLY HA2 . 16389 1
2 . 1 1 1 1 GLY HA3 H 1 3.733 0.020 . 1 . . . . 1 GLY HA3 . 16389 1
3 . 1 1 1 1 GLY CA C 13 43.723 0.400 . 1 . . . . 1 GLY CA . 16389 1
4 . 1 1 2 2 HIS HA H 1 4.670 0.020 . 1 . . . . 2 HIS HA . 16389 1
5 . 1 1 2 2 HIS HB2 H 1 2.966 0.020 . 2 . . . . 2 HIS HB2 . 16389 1
6 . 1 1 2 2 HIS HB3 H 1 3.047 0.020 . 2 . . . . 2 HIS HB3 . 16389 1
7 . 1 1 2 2 HIS HD2 H 1 6.970 0.020 . 1 . . . . 2 HIS HD2 . 16389 1
8 . 1 1 2 2 HIS HE1 H 1 8.038 0.020 . 1 . . . . 2 HIS HE1 . 16389 1
9 . 1 1 2 2 HIS CA C 13 55.847 0.400 . 1 . . . . 2 HIS CA . 16389 1
10 . 1 1 2 2 HIS CB C 13 30.960 0.400 . 1 . . . . 2 HIS CB . 16389 1
11 . 1 1 2 2 HIS CD2 C 13 119.410 0.400 . 1 . . . . 2 HIS CD2 . 16389 1
12 . 1 1 2 2 HIS CE1 C 13 137.776 0.400 . 1 . . . . 2 HIS CE1 . 16389 1
13 . 1 1 3 3 MET H H 1 8.608 0.020 . 1 . . . . 3 MET H . 16389 1
14 . 1 1 3 3 MET HA H 1 4.426 0.020 . 1 . . . . 3 MET HA . 16389 1
15 . 1 1 3 3 MET HB2 H 1 1.933 0.020 . 2 . . . . 3 MET HB2 . 16389 1
16 . 1 1 3 3 MET HB3 H 1 1.737 0.020 . 2 . . . . 3 MET HB3 . 16389 1
17 . 1 1 3 3 MET HE1 H 1 2.135 0.020 . 1 . . . . 3 MET HE1 . 16389 1
18 . 1 1 3 3 MET HE2 H 1 2.135 0.020 . 1 . . . . 3 MET HE2 . 16389 1
19 . 1 1 3 3 MET HE3 H 1 2.135 0.020 . 1 . . . . 3 MET HE3 . 16389 1
20 . 1 1 3 3 MET HG2 H 1 2.406 0.020 . 2 . . . . 3 MET HG2 . 16389 1
21 . 1 1 3 3 MET HG3 H 1 2.243 0.020 . 2 . . . . 3 MET HG3 . 16389 1
22 . 1 1 3 3 MET CA C 13 56.001 0.400 . 1 . . . . 3 MET CA . 16389 1
23 . 1 1 3 3 MET CB C 13 33.980 0.400 . 1 . . . . 3 MET CB . 16389 1
24 . 1 1 3 3 MET CE C 13 17.554 0.400 . 1 . . . . 3 MET CE . 16389 1
25 . 1 1 3 3 MET CG C 13 32.825 0.400 . 1 . . . . 3 MET CG . 16389 1
26 . 1 1 3 3 MET N N 15 124.058 0.400 . 1 . . . . 3 MET N . 16389 1
27 . 1 1 4 4 ILE H H 1 8.342 0.020 . 1 . . . . 4 ILE H . 16389 1
28 . 1 1 4 4 ILE HA H 1 4.368 0.020 . 1 . . . . 4 ILE HA . 16389 1
29 . 1 1 4 4 ILE HB H 1 1.823 0.020 . 1 . . . . 4 ILE HB . 16389 1
30 . 1 1 4 4 ILE HD11 H 1 0.746 0.020 . 1 . . . . 4 ILE HD11 . 16389 1
31 . 1 1 4 4 ILE HD12 H 1 0.746 0.020 . 1 . . . . 4 ILE HD12 . 16389 1
32 . 1 1 4 4 ILE HD13 H 1 0.746 0.020 . 1 . . . . 4 ILE HD13 . 16389 1
33 . 1 1 4 4 ILE HG12 H 1 1.358 0.020 . 2 . . . . 4 ILE HG12 . 16389 1
34 . 1 1 4 4 ILE HG13 H 1 1.155 0.020 . 2 . . . . 4 ILE HG13 . 16389 1
35 . 1 1 4 4 ILE HG21 H 1 0.842 0.020 . 1 . . . . 4 ILE HG21 . 16389 1
36 . 1 1 4 4 ILE HG22 H 1 0.842 0.020 . 1 . . . . 4 ILE HG22 . 16389 1
37 . 1 1 4 4 ILE HG23 H 1 0.842 0.020 . 1 . . . . 4 ILE HG23 . 16389 1
38 . 1 1 4 4 ILE CA C 13 60.388 0.400 . 1 . . . . 4 ILE CA . 16389 1
39 . 1 1 4 4 ILE CB C 13 40.287 0.400 . 1 . . . . 4 ILE CB . 16389 1
40 . 1 1 4 4 ILE CD1 C 13 13.140 0.400 . 1 . . . . 4 ILE CD1 . 16389 1
41 . 1 1 4 4 ILE CG1 C 13 27.113 0.400 . 1 . . . . 4 ILE CG1 . 16389 1
42 . 1 1 4 4 ILE CG2 C 13 18.222 0.400 . 1 . . . . 4 ILE CG2 . 16389 1
43 . 1 1 4 4 ILE N N 15 123.340 0.400 . 1 . . . . 4 ILE N . 16389 1
44 . 1 1 5 5 ASN H H 1 8.803 0.020 . 1 . . . . 5 ASN H . 16389 1
45 . 1 1 5 5 ASN HA H 1 4.768 0.020 . 1 . . . . 5 ASN HA . 16389 1
46 . 1 1 5 5 ASN HB2 H 1 2.606 0.020 . 2 . . . . 5 ASN HB2 . 16389 1
47 . 1 1 5 5 ASN HB3 H 1 2.941 0.020 . 2 . . . . 5 ASN HB3 . 16389 1
48 . 1 1 5 5 ASN HD21 H 1 7.553 0.020 . 2 . . . . 5 ASN HD21 . 16389 1
49 . 1 1 5 5 ASN HD22 H 1 6.840 0.020 . 2 . . . . 5 ASN HD22 . 16389 1
50 . 1 1 5 5 ASN CA C 13 53.982 0.400 . 1 . . . . 5 ASN CA . 16389 1
51 . 1 1 5 5 ASN CB C 13 39.269 0.400 . 1 . . . . 5 ASN CB . 16389 1
52 . 1 1 5 5 ASN N N 15 123.739 0.400 . 1 . . . . 5 ASN N . 16389 1
53 . 1 1 5 5 ASN ND2 N 15 112.474 0.400 . 1 . . . . 5 ASN ND2 . 16389 1
54 . 1 1 6 6 MET H H 1 8.423 0.020 . 1 . . . . 6 MET H . 16389 1
55 . 1 1 6 6 MET HA H 1 4.854 0.020 . 1 . . . . 6 MET HA . 16389 1
56 . 1 1 6 6 MET HB2 H 1 1.829 0.020 . 2 . . . . 6 MET HB2 . 16389 1
57 . 1 1 6 6 MET HB3 H 1 1.957 0.020 . 2 . . . . 6 MET HB3 . 16389 1
58 . 1 1 6 6 MET HE1 H 1 1.684 0.020 . 1 . . . . 6 MET HE1 . 16389 1
59 . 1 1 6 6 MET HE2 H 1 1.684 0.020 . 1 . . . . 6 MET HE2 . 16389 1
60 . 1 1 6 6 MET HE3 H 1 1.684 0.020 . 1 . . . . 6 MET HE3 . 16389 1
61 . 1 1 6 6 MET HG2 H 1 2.406 0.020 . 2 . . . . 6 MET HG2 . 16389 1
62 . 1 1 6 6 MET HG3 H 1 2.713 0.020 . 2 . . . . 6 MET HG3 . 16389 1
63 . 1 1 6 6 MET CA C 13 54.541 0.400 . 1 . . . . 6 MET CA . 16389 1
64 . 1 1 6 6 MET CB C 13 36.519 0.400 . 1 . . . . 6 MET CB . 16389 1
65 . 1 1 6 6 MET CE C 13 18.025 0.400 . 1 . . . . 6 MET CE . 16389 1
66 . 1 1 6 6 MET CG C 13 32.666 0.400 . 1 . . . . 6 MET CG . 16389 1
67 . 1 1 6 6 MET N N 15 118.661 0.400 . 1 . . . . 6 MET N . 16389 1
68 . 1 1 7 7 LYS H H 1 9.032 0.020 . 1 . . . . 7 LYS H . 16389 1
69 . 1 1 7 7 LYS HA H 1 5.397 0.020 . 1 . . . . 7 LYS HA . 16389 1
70 . 1 1 7 7 LYS HB2 H 1 1.754 0.020 . 2 . . . . 7 LYS HB2 . 16389 1
71 . 1 1 7 7 LYS HB3 H 1 1.534 0.020 . 2 . . . . 7 LYS HB3 . 16389 1
72 . 1 1 7 7 LYS HD2 H 1 1.589 0.020 . 1 . . . . 7 LYS HD2 . 16389 1
73 . 1 1 7 7 LYS HD3 H 1 1.589 0.020 . 1 . . . . 7 LYS HD3 . 16389 1
74 . 1 1 7 7 LYS HE2 H 1 2.919 0.020 . 2 . . . . 7 LYS HE2 . 16389 1
75 . 1 1 7 7 LYS HE3 H 1 2.781 0.020 . 2 . . . . 7 LYS HE3 . 16389 1
76 . 1 1 7 7 LYS HG2 H 1 1.390 0.020 . 2 . . . . 7 LYS HG2 . 16389 1
77 . 1 1 7 7 LYS HG3 H 1 1.177 0.020 . 2 . . . . 7 LYS HG3 . 16389 1
78 . 1 1 7 7 LYS CA C 13 55.470 0.400 . 1 . . . . 7 LYS CA . 16389 1
79 . 1 1 7 7 LYS CB C 13 36.000 0.400 . 1 . . . . 7 LYS CB . 16389 1
80 . 1 1 7 7 LYS CD C 13 29.448 0.400 . 1 . . . . 7 LYS CD . 16389 1
81 . 1 1 7 7 LYS CE C 13 42.288 0.400 . 1 . . . . 7 LYS CE . 16389 1
82 . 1 1 7 7 LYS CG C 13 26.121 0.400 . 1 . . . . 7 LYS CG . 16389 1
83 . 1 1 7 7 LYS N N 15 124.170 0.400 . 1 . . . . 7 LYS N . 16389 1
84 . 1 1 8 8 VAL H H 1 9.079 0.020 . 1 . . . . 8 VAL H . 16389 1
85 . 1 1 8 8 VAL HA H 1 4.965 0.020 . 1 . . . . 8 VAL HA . 16389 1
86 . 1 1 8 8 VAL HB H 1 1.474 0.020 . 1 . . . . 8 VAL HB . 16389 1
87 . 1 1 8 8 VAL HG11 H 1 0.238 0.020 . 2 . . . . 8 VAL HG11 . 16389 1
88 . 1 1 8 8 VAL HG12 H 1 0.238 0.020 . 2 . . . . 8 VAL HG12 . 16389 1
89 . 1 1 8 8 VAL HG13 H 1 0.238 0.020 . 2 . . . . 8 VAL HG13 . 16389 1
90 . 1 1 8 8 VAL HG21 H 1 0.314 0.020 . 2 . . . . 8 VAL HG21 . 16389 1
91 . 1 1 8 8 VAL HG22 H 1 0.314 0.020 . 2 . . . . 8 VAL HG22 . 16389 1
92 . 1 1 8 8 VAL HG23 H 1 0.314 0.020 . 2 . . . . 8 VAL HG23 . 16389 1
93 . 1 1 8 8 VAL CA C 13 59.045 0.400 . 1 . . . . 8 VAL CA . 16389 1
94 . 1 1 8 8 VAL CB C 13 35.412 0.400 . 1 . . . . 8 VAL CB . 16389 1
95 . 1 1 8 8 VAL CG1 C 13 21.991 0.400 . 1 . . . . 8 VAL CG1 . 16389 1
96 . 1 1 8 8 VAL CG2 C 13 20.474 0.400 . 1 . . . . 8 VAL CG2 . 16389 1
97 . 1 1 8 8 VAL N N 15 124.710 0.400 . 1 . . . . 8 VAL N . 16389 1
98 . 1 1 9 9 ALA H H 1 8.706 0.020 . 1 . . . . 9 ALA H . 16389 1
99 . 1 1 9 9 ALA HA H 1 5.573 0.020 . 1 . . . . 9 ALA HA . 16389 1
100 . 1 1 9 9 ALA HB1 H 1 1.101 0.020 . 1 . . . . 9 ALA HB1 . 16389 1
101 . 1 1 9 9 ALA HB2 H 1 1.101 0.020 . 1 . . . . 9 ALA HB2 . 16389 1
102 . 1 1 9 9 ALA HB3 H 1 1.101 0.020 . 1 . . . . 9 ALA HB3 . 16389 1
103 . 1 1 9 9 ALA CA C 13 49.834 0.400 . 1 . . . . 9 ALA CA . 16389 1
104 . 1 1 9 9 ALA CB C 13 22.290 0.400 . 1 . . . . 9 ALA CB . 16389 1
105 . 1 1 9 9 ALA N N 15 126.816 0.400 . 1 . . . . 9 ALA N . 16389 1
106 . 1 1 10 10 ILE H H 1 9.275 0.020 . 1 . . . . 10 ILE H . 16389 1
107 . 1 1 10 10 ILE HA H 1 4.959 0.020 . 1 . . . . 10 ILE HA . 16389 1
108 . 1 1 10 10 ILE HB H 1 1.675 0.020 . 1 . . . . 10 ILE HB . 16389 1
109 . 1 1 10 10 ILE HD11 H 1 0.214 0.020 . 1 . . . . 10 ILE HD11 . 16389 1
110 . 1 1 10 10 ILE HD12 H 1 0.214 0.020 . 1 . . . . 10 ILE HD12 . 16389 1
111 . 1 1 10 10 ILE HD13 H 1 0.214 0.020 . 1 . . . . 10 ILE HD13 . 16389 1
112 . 1 1 10 10 ILE HG12 H 1 1.477 0.020 . 2 . . . . 10 ILE HG12 . 16389 1
113 . 1 1 10 10 ILE HG13 H 1 0.755 0.020 . 2 . . . . 10 ILE HG13 . 16389 1
114 . 1 1 10 10 ILE HG21 H 1 0.730 0.020 . 1 . . . . 10 ILE HG21 . 16389 1
115 . 1 1 10 10 ILE HG22 H 1 0.730 0.020 . 1 . . . . 10 ILE HG22 . 16389 1
116 . 1 1 10 10 ILE HG23 H 1 0.730 0.020 . 1 . . . . 10 ILE HG23 . 16389 1
117 . 1 1 10 10 ILE CA C 13 60.671 0.400 . 1 . . . . 10 ILE CA . 16389 1
118 . 1 1 10 10 ILE CB C 13 41.190 0.400 . 1 . . . . 10 ILE CB . 16389 1
119 . 1 1 10 10 ILE CD1 C 13 13.482 0.400 . 1 . . . . 10 ILE CD1 . 16389 1
120 . 1 1 10 10 ILE CG1 C 13 28.862 0.400 . 1 . . . . 10 ILE CG1 . 16389 1
121 . 1 1 10 10 ILE CG2 C 13 19.506 0.400 . 1 . . . . 10 ILE CG2 . 16389 1
122 . 1 1 10 10 ILE N N 15 121.130 0.400 . 1 . . . . 10 ILE N . 16389 1
123 . 1 1 11 11 SER H H 1 7.946 0.020 . 1 . . . . 11 SER H . 16389 1
124 . 1 1 11 11 SER HA H 1 4.102 0.020 . 1 . . . . 11 SER HA . 16389 1
125 . 1 1 11 11 SER HB2 H 1 3.579 0.020 . 2 . . . . 11 SER HB2 . 16389 1
126 . 1 1 11 11 SER HB3 H 1 4.084 0.020 . 2 . . . . 11 SER HB3 . 16389 1
127 . 1 1 11 11 SER CA C 13 55.160 0.400 . 1 . . . . 11 SER CA . 16389 1
128 . 1 1 11 11 SER CB C 13 66.325 0.400 . 1 . . . . 11 SER CB . 16389 1
129 . 1 1 11 11 SER N N 15 120.340 0.400 . 1 . . . . 11 SER N . 16389 1
130 . 1 1 12 12 MET H H 1 8.839 0.020 . 1 . . . . 12 MET H . 16389 1
131 . 1 1 12 12 MET HA H 1 4.907 0.020 . 1 . . . . 12 MET HA . 16389 1
132 . 1 1 12 12 MET HB2 H 1 0.294 0.020 . 2 . . . . 12 MET HB2 . 16389 1
133 . 1 1 12 12 MET HB3 H 1 1.332 0.020 . 2 . . . . 12 MET HB3 . 16389 1
134 . 1 1 12 12 MET HE1 H 1 1.637 0.020 . 1 . . . . 12 MET HE1 . 16389 1
135 . 1 1 12 12 MET HE2 H 1 1.637 0.020 . 1 . . . . 12 MET HE2 . 16389 1
136 . 1 1 12 12 MET HE3 H 1 1.637 0.020 . 1 . . . . 12 MET HE3 . 16389 1
137 . 1 1 12 12 MET HG2 H 1 1.995 0.020 . 2 . . . . 12 MET HG2 . 16389 1
138 . 1 1 12 12 MET HG3 H 1 2.125 0.020 . 2 . . . . 12 MET HG3 . 16389 1
139 . 1 1 12 12 MET CA C 13 54.210 0.400 . 1 . . . . 12 MET CA . 16389 1
140 . 1 1 12 12 MET CB C 13 32.895 0.400 . 1 . . . . 12 MET CB . 16389 1
141 . 1 1 12 12 MET CE C 13 16.027 0.400 . 1 . . . . 12 MET CE . 16389 1
142 . 1 1 12 12 MET CG C 13 32.342 0.400 . 1 . . . . 12 MET CG . 16389 1
143 . 1 1 12 12 MET N N 15 128.010 0.400 . 1 . . . . 12 MET N . 16389 1
144 . 1 1 13 13 ASP H H 1 8.496 0.020 . 1 . . . . 13 ASP H . 16389 1
145 . 1 1 13 13 ASP HA H 1 4.805 0.020 . 1 . . . . 13 ASP HA . 16389 1
146 . 1 1 13 13 ASP HB2 H 1 2.306 0.020 . 2 . . . . 13 ASP HB2 . 16389 1
147 . 1 1 13 13 ASP HB3 H 1 2.735 0.020 . 2 . . . . 13 ASP HB3 . 16389 1
148 . 1 1 13 13 ASP CA C 13 54.274 0.400 . 1 . . . . 13 ASP CA . 16389 1
149 . 1 1 13 13 ASP CB C 13 41.702 0.400 . 1 . . . . 13 ASP CB . 16389 1
150 . 1 1 13 13 ASP N N 15 123.104 0.400 . 1 . . . . 13 ASP N . 16389 1
151 . 1 1 14 14 VAL H H 1 8.381 0.020 . 1 . . . . 14 VAL H . 16389 1
152 . 1 1 14 14 VAL HA H 1 3.967 0.020 . 1 . . . . 14 VAL HA . 16389 1
153 . 1 1 14 14 VAL HB H 1 2.087 0.020 . 1 . . . . 14 VAL HB . 16389 1
154 . 1 1 14 14 VAL HG11 H 1 0.957 0.020 . 1 . . . . 14 VAL HG1 . 16389 1
155 . 1 1 14 14 VAL HG12 H 1 0.957 0.020 . 1 . . . . 14 VAL HG1 . 16389 1
156 . 1 1 14 14 VAL HG13 H 1 0.957 0.020 . 1 . . . . 14 VAL HG1 . 16389 1
157 . 1 1 14 14 VAL HG21 H 1 0.957 0.020 . 1 . . . . 14 VAL HG2 . 16389 1
158 . 1 1 14 14 VAL HG22 H 1 0.957 0.020 . 1 . . . . 14 VAL HG2 . 16389 1
159 . 1 1 14 14 VAL HG23 H 1 0.957 0.020 . 1 . . . . 14 VAL HG2 . 16389 1
160 . 1 1 14 14 VAL CA C 13 65.675 0.400 . 1 . . . . 14 VAL CA . 16389 1
161 . 1 1 14 14 VAL CB C 13 31.738 0.400 . 1 . . . . 14 VAL CB . 16389 1
162 . 1 1 14 14 VAL CG2 C 13 21.597 0.400 . 1 . . . . 14 VAL CG2 . 16389 1
163 . 1 1 14 14 VAL N N 15 117.923 0.400 . 1 . . . . 14 VAL N . 16389 1
164 . 1 1 15 15 ASP H H 1 8.571 0.020 . 1 . . . . 15 ASP H . 16389 1
165 . 1 1 15 15 ASP HA H 1 4.584 0.020 . 1 . . . . 15 ASP HA . 16389 1
166 . 1 1 15 15 ASP HB2 H 1 2.830 0.020 . 2 . . . . 15 ASP HB2 . 16389 1
167 . 1 1 15 15 ASP HB3 H 1 2.616 0.020 . 2 . . . . 15 ASP HB3 . 16389 1
168 . 1 1 15 15 ASP CA C 13 53.660 0.400 . 1 . . . . 15 ASP CA . 16389 1
169 . 1 1 15 15 ASP CB C 13 41.220 0.400 . 1 . . . . 15 ASP CB . 16389 1
170 . 1 1 15 15 ASP N N 15 117.294 0.400 . 1 . . . . 15 ASP N . 16389 1
171 . 1 1 16 16 LYS H H 1 7.528 0.020 . 1 . . . . 16 LYS H . 16389 1
172 . 1 1 16 16 LYS HA H 1 4.718 0.020 . 1 . . . . 16 LYS HA . 16389 1
173 . 1 1 16 16 LYS HB2 H 1 1.722 0.020 . 2 . . . . 16 LYS HB2 . 16389 1
174 . 1 1 16 16 LYS HB3 H 1 1.911 0.020 . 2 . . . . 16 LYS HB3 . 16389 1
175 . 1 1 16 16 LYS HD2 H 1 1.537 0.020 . 2 . . . . 16 LYS HD2 . 16389 1
176 . 1 1 16 16 LYS HD3 H 1 1.409 0.020 . 2 . . . . 16 LYS HD3 . 16389 1
177 . 1 1 16 16 LYS HE2 H 1 2.776 0.020 . 2 . . . . 16 LYS HE2 . 16389 1
178 . 1 1 16 16 LYS HE3 H 1 2.915 0.020 . 2 . . . . 16 LYS HE3 . 16389 1
179 . 1 1 16 16 LYS HG2 H 1 1.245 0.020 . 2 . . . . 16 LYS HG2 . 16389 1
180 . 1 1 16 16 LYS HG3 H 1 1.327 0.020 . 2 . . . . 16 LYS HG3 . 16389 1
181 . 1 1 16 16 LYS CA C 13 54.490 0.400 . 1 . . . . 16 LYS CA . 16389 1
182 . 1 1 16 16 LYS CB C 13 36.090 0.400 . 1 . . . . 16 LYS CB . 16389 1
183 . 1 1 16 16 LYS CD C 13 29.867 0.400 . 1 . . . . 16 LYS CD . 16389 1
184 . 1 1 16 16 LYS CE C 13 42.893 0.400 . 1 . . . . 16 LYS CE . 16389 1
185 . 1 1 16 16 LYS CG C 13 23.897 0.400 . 1 . . . . 16 LYS CG . 16389 1
186 . 1 1 16 16 LYS N N 15 117.860 0.400 . 1 . . . . 16 LYS N . 16389 1
187 . 1 1 17 17 ILE H H 1 8.268 0.020 . 1 . . . . 17 ILE H . 16389 1
188 . 1 1 17 17 ILE HA H 1 4.272 0.020 . 1 . . . . 17 ILE HA . 16389 1
189 . 1 1 17 17 ILE HB H 1 1.410 0.020 . 1 . . . . 17 ILE HB . 16389 1
190 . 1 1 17 17 ILE HD11 H 1 0.513 0.020 . 1 . . . . 17 ILE HD11 . 16389 1
191 . 1 1 17 17 ILE HD12 H 1 0.513 0.020 . 1 . . . . 17 ILE HD12 . 16389 1
192 . 1 1 17 17 ILE HD13 H 1 0.513 0.020 . 1 . . . . 17 ILE HD13 . 16389 1
193 . 1 1 17 17 ILE HG12 H 1 1.467 0.020 . 2 . . . . 17 ILE HG12 . 16389 1
194 . 1 1 17 17 ILE HG13 H 1 0.845 0.020 . 2 . . . . 17 ILE HG13 . 16389 1
195 . 1 1 17 17 ILE HG21 H 1 0.962 0.020 . 1 . . . . 17 ILE HG21 . 16389 1
196 . 1 1 17 17 ILE HG22 H 1 0.962 0.020 . 1 . . . . 17 ILE HG22 . 16389 1
197 . 1 1 17 17 ILE HG23 H 1 0.962 0.020 . 1 . . . . 17 ILE HG23 . 16389 1
198 . 1 1 17 17 ILE CA C 13 63.050 0.400 . 1 . . . . 17 ILE CA . 16389 1
199 . 1 1 17 17 ILE CB C 13 38.693 0.400 . 1 . . . . 17 ILE CB . 16389 1
200 . 1 1 17 17 ILE CD1 C 13 14.082 0.400 . 1 . . . . 17 ILE CD1 . 16389 1
201 . 1 1 17 17 ILE CG1 C 13 29.247 0.400 . 1 . . . . 17 ILE CG1 . 16389 1
202 . 1 1 17 17 ILE CG2 C 13 16.201 0.400 . 1 . . . . 17 ILE CG2 . 16389 1
203 . 1 1 17 17 ILE N N 15 121.570 0.400 . 1 . . . . 17 ILE N . 16389 1
204 . 1 1 18 18 SER H H 1 7.888 0.020 . 1 . . . . 18 SER H . 16389 1
205 . 1 1 18 18 SER HA H 1 4.098 0.020 . 1 . . . . 18 SER HA . 16389 1
206 . 1 1 18 18 SER HB2 H 1 3.215 0.020 . 2 . . . . 18 SER HB2 . 16389 1
207 . 1 1 18 18 SER HB3 H 1 4.085 0.020 . 2 . . . . 18 SER HB3 . 16389 1
208 . 1 1 18 18 SER CA C 13 58.685 0.400 . 1 . . . . 18 SER CA . 16389 1
209 . 1 1 18 18 SER CB C 13 65.146 0.400 . 1 . . . . 18 SER CB . 16389 1
210 . 1 1 18 18 SER N N 15 121.055 0.400 . 1 . . . . 18 SER N . 16389 1
211 . 1 1 19 19 ASN H H 1 9.097 0.020 . 1 . . . . 19 ASN H . 16389 1
212 . 1 1 19 19 ASN HA H 1 4.329 0.020 . 1 . . . . 19 ASN HA . 16389 1
213 . 1 1 19 19 ASN HB2 H 1 2.905 0.020 . 1 . . . . 19 ASN HB2 . 16389 1
214 . 1 1 19 19 ASN HB3 H 1 2.905 0.020 . 1 . . . . 19 ASN HB3 . 16389 1
215 . 1 1 19 19 ASN HD21 H 1 6.911 0.020 . 2 . . . . 19 ASN HD21 . 16389 1
216 . 1 1 19 19 ASN HD22 H 1 7.757 0.020 . 2 . . . . 19 ASN HD22 . 16389 1
217 . 1 1 19 19 ASN CA C 13 57.007 0.400 . 1 . . . . 19 ASN CA . 16389 1
218 . 1 1 19 19 ASN CB C 13 38.840 0.400 . 1 . . . . 19 ASN CB . 16389 1
219 . 1 1 19 19 ASN N N 15 121.758 0.400 . 1 . . . . 19 ASN N . 16389 1
220 . 1 1 19 19 ASN ND2 N 15 114.257 0.400 . 1 . . . . 19 ASN ND2 . 16389 1
221 . 1 1 20 20 SER H H 1 8.221 0.020 . 1 . . . . 20 SER H . 16389 1
222 . 1 1 20 20 SER HA H 1 4.892 0.020 . 1 . . . . 20 SER HA . 16389 1
223 . 1 1 20 20 SER HB2 H 1 4.157 0.020 . 2 . . . . 20 SER HB2 . 16389 1
224 . 1 1 20 20 SER HB3 H 1 3.869 0.020 . 2 . . . . 20 SER HB3 . 16389 1
225 . 1 1 20 20 SER CA C 13 57.688 0.400 . 1 . . . . 20 SER CA . 16389 1
226 . 1 1 20 20 SER CB C 13 67.802 0.400 . 1 . . . . 20 SER CB . 16389 1
227 . 1 1 20 20 SER N N 15 109.438 0.400 . 1 . . . . 20 SER N . 16389 1
228 . 1 1 21 21 PHE H H 1 8.935 0.020 . 1 . . . . 21 PHE H . 16389 1
229 . 1 1 21 21 PHE HA H 1 3.914 0.020 . 1 . . . . 21 PHE HA . 16389 1
230 . 1 1 21 21 PHE HB2 H 1 3.213 0.020 . 2 . . . . 21 PHE HB2 . 16389 1
231 . 1 1 21 21 PHE HB3 H 1 3.314 0.020 . 2 . . . . 21 PHE HB3 . 16389 1
232 . 1 1 21 21 PHE HD1 H 1 6.991 0.020 . 1 . . . . 21 PHE HD1 . 16389 1
233 . 1 1 21 21 PHE HD2 H 1 6.991 0.020 . 1 . . . . 21 PHE HD2 . 16389 1
234 . 1 1 21 21 PHE HE1 H 1 6.815 0.020 . 1 . . . . 21 PHE HE1 . 16389 1
235 . 1 1 21 21 PHE HE2 H 1 6.815 0.020 . 1 . . . . 21 PHE HE2 . 16389 1
236 . 1 1 21 21 PHE HZ H 1 6.243 0.020 . 1 . . . . 21 PHE HZ . 16389 1
237 . 1 1 21 21 PHE CA C 13 61.973 0.400 . 1 . . . . 21 PHE CA . 16389 1
238 . 1 1 21 21 PHE CB C 13 40.520 0.400 . 1 . . . . 21 PHE CB . 16389 1
239 . 1 1 21 21 PHE CD1 C 13 131.334 0.400 . 1 . . . . 21 PHE CD1 . 16389 1
240 . 1 1 21 21 PHE CE1 C 13 131.378 0.400 . 1 . . . . 21 PHE CE1 . 16389 1
241 . 1 1 21 21 PHE CZ C 13 129.662 0.400 . 1 . . . . 21 PHE CZ . 16389 1
242 . 1 1 21 21 PHE N N 15 122.127 0.400 . 1 . . . . 21 PHE N . 16389 1
243 . 1 1 22 22 GLU H H 1 8.777 0.020 . 1 . . . . 22 GLU H . 16389 1
244 . 1 1 22 22 GLU HA H 1 3.962 0.020 . 1 . . . . 22 GLU HA . 16389 1
245 . 1 1 22 22 GLU HB2 H 1 2.195 0.020 . 2 . . . . 22 GLU HB2 . 16389 1
246 . 1 1 22 22 GLU HB3 H 1 1.893 0.020 . 2 . . . . 22 GLU HB3 . 16389 1
247 . 1 1 22 22 GLU HG2 H 1 2.189 0.020 . 2 . . . . 22 GLU HG2 . 16389 1
248 . 1 1 22 22 GLU HG3 H 1 2.716 0.020 . 2 . . . . 22 GLU HG3 . 16389 1
249 . 1 1 22 22 GLU CA C 13 61.417 0.400 . 1 . . . . 22 GLU CA . 16389 1
250 . 1 1 22 22 GLU CB C 13 29.510 0.400 . 1 . . . . 22 GLU CB . 16389 1
251 . 1 1 22 22 GLU CG C 13 39.821 0.400 . 1 . . . . 22 GLU CG . 16389 1
252 . 1 1 22 22 GLU N N 15 115.810 0.400 . 1 . . . . 22 GLU N . 16389 1
253 . 1 1 23 23 ASP H H 1 7.802 0.020 . 1 . . . . 23 ASP H . 16389 1
254 . 1 1 23 23 ASP HA H 1 4.650 0.020 . 1 . . . . 23 ASP HA . 16389 1
255 . 1 1 23 23 ASP HB2 H 1 2.619 0.020 . 2 . . . . 23 ASP HB2 . 16389 1
256 . 1 1 23 23 ASP HB3 H 1 2.587 0.020 . 2 . . . . 23 ASP HB3 . 16389 1
257 . 1 1 23 23 ASP CA C 13 53.375 0.400 . 1 . . . . 23 ASP CA . 16389 1
258 . 1 1 23 23 ASP CB C 13 41.334 0.400 . 1 . . . . 23 ASP CB . 16389 1
259 . 1 1 23 23 ASP N N 15 116.792 0.400 . 1 . . . . 23 ASP N . 16389 1
260 . 1 1 24 24 CYS H H 1 6.425 0.020 . 1 . . . . 24 CYS H . 16389 1
261 . 1 1 24 24 CYS HA H 1 4.332 0.020 . 1 . . . . 24 CYS HA . 16389 1
262 . 1 1 24 24 CYS HB2 H 1 3.060 0.020 . 2 . . . . 24 CYS HB2 . 16389 1
263 . 1 1 24 24 CYS HB3 H 1 2.920 0.020 . 2 . . . . 24 CYS HB3 . 16389 1
264 . 1 1 24 24 CYS CA C 13 57.408 0.400 . 1 . . . . 24 CYS CA . 16389 1
265 . 1 1 24 24 CYS CB C 13 27.450 0.400 . 1 . . . . 24 CYS CB . 16389 1
266 . 1 1 24 24 CYS N N 15 115.802 0.400 . 1 . . . . 24 CYS N . 16389 1
267 . 1 1 25 25 LYS H H 1 8.393 0.020 . 1 . . . . 25 LYS H . 16389 1
268 . 1 1 25 25 LYS HA H 1 4.434 0.020 . 1 . . . . 25 LYS HA . 16389 1
269 . 1 1 25 25 LYS HB2 H 1 2.178 0.020 . 2 . . . . 25 LYS HB2 . 16389 1
270 . 1 1 25 25 LYS HB3 H 1 1.997 0.020 . 2 . . . . 25 LYS HB3 . 16389 1
271 . 1 1 25 25 LYS HD2 H 1 1.851 0.020 . 1 . . . . 25 LYS HD2 . 16389 1
272 . 1 1 25 25 LYS HD3 H 1 1.851 0.020 . 1 . . . . 25 LYS HD3 . 16389 1
273 . 1 1 25 25 LYS HE2 H 1 2.969 0.020 . 1 . . . . 25 LYS HE2 . 16389 1
274 . 1 1 25 25 LYS HE3 H 1 2.969 0.020 . 1 . . . . 25 LYS HE3 . 16389 1
275 . 1 1 25 25 LYS HG2 H 1 1.578 0.020 . 2 . . . . 25 LYS HG2 . 16389 1
276 . 1 1 25 25 LYS HG3 H 1 1.655 0.020 . 2 . . . . 25 LYS HG3 . 16389 1
277 . 1 1 25 25 LYS CA C 13 57.590 0.400 . 1 . . . . 25 LYS CA . 16389 1
278 . 1 1 25 25 LYS CB C 13 33.490 0.400 . 1 . . . . 25 LYS CB . 16389 1
279 . 1 1 25 25 LYS CD C 13 30.068 0.400 . 1 . . . . 25 LYS CD . 16389 1
280 . 1 1 25 25 LYS CE C 13 42.416 0.400 . 1 . . . . 25 LYS CE . 16389 1
281 . 1 1 25 25 LYS CG C 13 25.984 0.400 . 1 . . . . 25 LYS CG . 16389 1
282 . 1 1 25 25 LYS N N 15 121.530 0.400 . 1 . . . . 25 LYS N . 16389 1
283 . 1 1 26 26 TYR H H 1 7.853 0.020 . 1 . . . . 26 TYR H . 16389 1
284 . 1 1 26 26 TYR HA H 1 4.530 0.020 . 1 . . . . 26 TYR HA . 16389 1
285 . 1 1 26 26 TYR HB2 H 1 2.720 0.020 . 2 . . . . 26 TYR HB2 . 16389 1
286 . 1 1 26 26 TYR HB3 H 1 2.385 0.020 . 2 . . . . 26 TYR HB3 . 16389 1
287 . 1 1 26 26 TYR HD1 H 1 6.555 0.020 . 1 . . . . 26 TYR HD1 . 16389 1
288 . 1 1 26 26 TYR HD2 H 1 6.555 0.020 . 1 . . . . 26 TYR HD2 . 16389 1
289 . 1 1 26 26 TYR HE1 H 1 6.546 0.020 . 1 . . . . 26 TYR HE1 . 16389 1
290 . 1 1 26 26 TYR HE2 H 1 6.546 0.020 . 1 . . . . 26 TYR HE2 . 16389 1
291 . 1 1 26 26 TYR CA C 13 55.781 0.400 . 1 . . . . 26 TYR CA . 16389 1
292 . 1 1 26 26 TYR CB C 13 40.320 0.400 . 1 . . . . 26 TYR CB . 16389 1
293 . 1 1 26 26 TYR CD1 C 13 133.750 0.400 . 1 . . . . 26 TYR CD1 . 16389 1
294 . 1 1 26 26 TYR CE1 C 13 118.349 0.400 . 1 . . . . 26 TYR CE1 . 16389 1
295 . 1 1 26 26 TYR N N 15 114.501 0.400 . 1 . . . . 26 TYR N . 16389 1
296 . 1 1 27 27 PHE H H 1 9.530 0.020 . 1 . . . . 27 PHE H . 16389 1
297 . 1 1 27 27 PHE HA H 1 4.986 0.020 . 1 . . . . 27 PHE HA . 16389 1
298 . 1 1 27 27 PHE HB2 H 1 2.650 0.020 . 2 . . . . 27 PHE HB2 . 16389 1
299 . 1 1 27 27 PHE HB3 H 1 2.412 0.020 . 2 . . . . 27 PHE HB3 . 16389 1
300 . 1 1 27 27 PHE HD1 H 1 6.500 0.020 . 1 . . . . 27 PHE HD1 . 16389 1
301 . 1 1 27 27 PHE HD2 H 1 6.500 0.020 . 1 . . . . 27 PHE HD2 . 16389 1
302 . 1 1 27 27 PHE HE1 H 1 6.417 0.020 . 1 . . . . 27 PHE HE1 . 16389 1
303 . 1 1 27 27 PHE HE2 H 1 6.417 0.020 . 1 . . . . 27 PHE HE2 . 16389 1
304 . 1 1 27 27 PHE HZ H 1 6.020 0.020 . 1 . . . . 27 PHE HZ . 16389 1
305 . 1 1 27 27 PHE CA C 13 56.123 0.400 . 1 . . . . 27 PHE CA . 16389 1
306 . 1 1 27 27 PHE CB C 13 41.217 0.400 . 1 . . . . 27 PHE CB . 16389 1
307 . 1 1 27 27 PHE CD1 C 13 130.614 0.400 . 1 . . . . 27 PHE CD1 . 16389 1
308 . 1 1 27 27 PHE CE1 C 13 130.936 0.400 . 1 . . . . 27 PHE CE1 . 16389 1
309 . 1 1 27 27 PHE CZ C 13 129.934 0.400 . 1 . . . . 27 PHE CZ . 16389 1
310 . 1 1 27 27 PHE N N 15 117.254 0.400 . 1 . . . . 27 PHE N . 16389 1
311 . 1 1 28 28 LEU H H 1 8.808 0.020 . 1 . . . . 28 LEU H . 16389 1
312 . 1 1 28 28 LEU HA H 1 4.913 0.020 . 1 . . . . 28 LEU HA . 16389 1
313 . 1 1 28 28 LEU HB2 H 1 1.371 0.020 . 2 . . . . 28 LEU HB2 . 16389 1
314 . 1 1 28 28 LEU HB3 H 1 1.838 0.020 . 2 . . . . 28 LEU HB3 . 16389 1
315 . 1 1 28 28 LEU HD11 H 1 0.846 0.020 . 2 . . . . 28 LEU HD11 . 16389 1
316 . 1 1 28 28 LEU HD12 H 1 0.846 0.020 . 2 . . . . 28 LEU HD12 . 16389 1
317 . 1 1 28 28 LEU HD13 H 1 0.846 0.020 . 2 . . . . 28 LEU HD13 . 16389 1
318 . 1 1 28 28 LEU HD21 H 1 0.932 0.020 . 2 . . . . 28 LEU HD21 . 16389 1
319 . 1 1 28 28 LEU HD22 H 1 0.932 0.020 . 2 . . . . 28 LEU HD22 . 16389 1
320 . 1 1 28 28 LEU HD23 H 1 0.932 0.020 . 2 . . . . 28 LEU HD23 . 16389 1
321 . 1 1 28 28 LEU HG H 1 1.358 0.020 . 1 . . . . 28 LEU HG . 16389 1
322 . 1 1 28 28 LEU CA C 13 53.896 0.400 . 1 . . . . 28 LEU CA . 16389 1
323 . 1 1 28 28 LEU CB C 13 45.306 0.400 . 1 . . . . 28 LEU CB . 16389 1
324 . 1 1 28 28 LEU CD1 C 13 26.347 0.400 . 1 . . . . 28 LEU CD1 . 16389 1
325 . 1 1 28 28 LEU CD2 C 13 24.017 0.400 . 1 . . . . 28 LEU CD2 . 16389 1
326 . 1 1 28 28 LEU CG C 13 27.739 0.400 . 1 . . . . 28 LEU CG . 16389 1
327 . 1 1 28 28 LEU N N 15 126.432 0.400 . 1 . . . . 28 LEU N . 16389 1
328 . 1 1 29 29 ILE H H 1 9.488 0.020 . 1 . . . . 29 ILE H . 16389 1
329 . 1 1 29 29 ILE HA H 1 4.937 0.020 . 1 . . . . 29 ILE HA . 16389 1
330 . 1 1 29 29 ILE HB H 1 1.982 0.020 . 1 . . . . 29 ILE HB . 16389 1
331 . 1 1 29 29 ILE HD11 H 1 0.537 0.020 . 1 . . . . 29 ILE HD11 . 16389 1
332 . 1 1 29 29 ILE HD12 H 1 0.537 0.020 . 1 . . . . 29 ILE HD12 . 16389 1
333 . 1 1 29 29 ILE HD13 H 1 0.537 0.020 . 1 . . . . 29 ILE HD13 . 16389 1
334 . 1 1 29 29 ILE HG12 H 1 1.336 0.020 . 2 . . . . 29 ILE HG12 . 16389 1
335 . 1 1 29 29 ILE HG13 H 1 1.105 0.020 . 2 . . . . 29 ILE HG13 . 16389 1
336 . 1 1 29 29 ILE HG21 H 1 0.608 0.020 . 1 . . . . 29 ILE HG21 . 16389 1
337 . 1 1 29 29 ILE HG22 H 1 0.608 0.020 . 1 . . . . 29 ILE HG22 . 16389 1
338 . 1 1 29 29 ILE HG23 H 1 0.608 0.020 . 1 . . . . 29 ILE HG23 . 16389 1
339 . 1 1 29 29 ILE CA C 13 58.747 0.400 . 1 . . . . 29 ILE CA . 16389 1
340 . 1 1 29 29 ILE CB C 13 36.253 0.400 . 1 . . . . 29 ILE CB . 16389 1
341 . 1 1 29 29 ILE CD1 C 13 11.750 0.400 . 1 . . . . 29 ILE CD1 . 16389 1
342 . 1 1 29 29 ILE CG1 C 13 27.219 0.400 . 1 . . . . 29 ILE CG1 . 16389 1
343 . 1 1 29 29 ILE CG2 C 13 17.490 0.400 . 1 . . . . 29 ILE CG2 . 16389 1
344 . 1 1 29 29 ILE N N 15 127.710 0.400 . 1 . . . . 29 ILE N . 16389 1
345 . 1 1 30 30 VAL H H 1 9.387 0.020 . 1 . . . . 30 VAL H . 16389 1
346 . 1 1 30 30 VAL HA H 1 4.678 0.020 . 1 . . . . 30 VAL HA . 16389 1
347 . 1 1 30 30 VAL HB H 1 1.949 0.020 . 1 . . . . 30 VAL HB . 16389 1
348 . 1 1 30 30 VAL HG11 H 1 0.753 0.020 . 2 . . . . 30 VAL HG11 . 16389 1
349 . 1 1 30 30 VAL HG12 H 1 0.753 0.020 . 2 . . . . 30 VAL HG12 . 16389 1
350 . 1 1 30 30 VAL HG13 H 1 0.753 0.020 . 2 . . . . 30 VAL HG13 . 16389 1
351 . 1 1 30 30 VAL HG21 H 1 0.838 0.020 . 2 . . . . 30 VAL HG21 . 16389 1
352 . 1 1 30 30 VAL HG22 H 1 0.838 0.020 . 2 . . . . 30 VAL HG22 . 16389 1
353 . 1 1 30 30 VAL HG23 H 1 0.838 0.020 . 2 . . . . 30 VAL HG23 . 16389 1
354 . 1 1 30 30 VAL CA C 13 60.721 0.400 . 1 . . . . 30 VAL CA . 16389 1
355 . 1 1 30 30 VAL CB C 13 34.480 0.400 . 1 . . . . 30 VAL CB . 16389 1
356 . 1 1 30 30 VAL CG1 C 13 20.813 0.400 . 1 . . . . 30 VAL CG1 . 16389 1
357 . 1 1 30 30 VAL CG2 C 13 22.592 0.400 . 1 . . . . 30 VAL CG2 . 16389 1
358 . 1 1 30 30 VAL N N 15 127.670 0.400 . 1 . . . . 30 VAL N . 16389 1
359 . 1 1 31 31 ARG H H 1 8.447 0.020 . 1 . . . . 31 ARG H . 16389 1
360 . 1 1 31 31 ARG HA H 1 4.985 0.020 . 1 . . . . 31 ARG HA . 16389 1
361 . 1 1 31 31 ARG HB2 H 1 1.501 0.020 . 2 . . . . 31 ARG HB2 . 16389 1
362 . 1 1 31 31 ARG HB3 H 1 1.932 0.020 . 2 . . . . 31 ARG HB3 . 16389 1
363 . 1 1 31 31 ARG HD2 H 1 3.165 0.020 . 2 . . . . 31 ARG HD2 . 16389 1
364 . 1 1 31 31 ARG HD3 H 1 2.977 0.020 . 2 . . . . 31 ARG HD3 . 16389 1
365 . 1 1 31 31 ARG HG2 H 1 1.482 0.020 . 2 . . . . 31 ARG HG2 . 16389 1
366 . 1 1 31 31 ARG HG3 H 1 1.328 0.020 . 2 . . . . 31 ARG HG3 . 16389 1
367 . 1 1 31 31 ARG CA C 13 55.383 0.400 . 1 . . . . 31 ARG CA . 16389 1
368 . 1 1 31 31 ARG CB C 13 31.910 0.400 . 1 . . . . 31 ARG CB . 16389 1
369 . 1 1 31 31 ARG CD C 13 43.690 0.400 . 1 . . . . 31 ARG CD . 16389 1
370 . 1 1 31 31 ARG CG C 13 28.530 0.400 . 1 . . . . 31 ARG CG . 16389 1
371 . 1 1 31 31 ARG N N 15 126.835 0.400 . 1 . . . . 31 ARG N . 16389 1
372 . 1 1 32 32 ILE H H 1 9.142 0.020 . 1 . . . . 32 ILE H . 16389 1
373 . 1 1 32 32 ILE HA H 1 4.739 0.020 . 1 . . . . 32 ILE HA . 16389 1
374 . 1 1 32 32 ILE HB H 1 1.527 0.020 . 1 . . . . 32 ILE HB . 16389 1
375 . 1 1 32 32 ILE HD11 H 1 0.742 0.020 . 1 . . . . 32 ILE HD11 . 16389 1
376 . 1 1 32 32 ILE HD12 H 1 0.742 0.020 . 1 . . . . 32 ILE HD12 . 16389 1
377 . 1 1 32 32 ILE HD13 H 1 0.742 0.020 . 1 . . . . 32 ILE HD13 . 16389 1
378 . 1 1 32 32 ILE HG12 H 1 1.475 0.020 . 1 . . . . 32 ILE HG12 . 16389 1
379 . 1 1 32 32 ILE HG13 H 1 1.475 0.020 . 1 . . . . 32 ILE HG13 . 16389 1
380 . 1 1 32 32 ILE HG21 H 1 0.618 0.020 . 1 . . . . 32 ILE HG21 . 16389 1
381 . 1 1 32 32 ILE HG22 H 1 0.618 0.020 . 1 . . . . 32 ILE HG22 . 16389 1
382 . 1 1 32 32 ILE HG23 H 1 0.618 0.020 . 1 . . . . 32 ILE HG23 . 16389 1
383 . 1 1 32 32 ILE CA C 13 60.184 0.400 . 1 . . . . 32 ILE CA . 16389 1
384 . 1 1 32 32 ILE CB C 13 41.033 0.400 . 1 . . . . 32 ILE CB . 16389 1
385 . 1 1 32 32 ILE CD1 C 13 14.788 0.400 . 1 . . . . 32 ILE CD1 . 16389 1
386 . 1 1 32 32 ILE CG1 C 13 28.657 0.400 . 1 . . . . 32 ILE CG1 . 16389 1
387 . 1 1 32 32 ILE CG2 C 13 17.494 0.400 . 1 . . . . 32 ILE CG2 . 16389 1
388 . 1 1 32 32 ILE N N 15 129.118 0.400 . 1 . . . . 32 ILE N . 16389 1
389 . 1 1 33 33 ASP H H 1 8.671 0.020 . 1 . . . . 33 ASP H . 16389 1
390 . 1 1 33 33 ASP HA H 1 5.180 0.020 . 1 . . . . 33 ASP HA . 16389 1
391 . 1 1 33 33 ASP HB2 H 1 2.488 0.020 . 2 . . . . 33 ASP HB2 . 16389 1
392 . 1 1 33 33 ASP HB3 H 1 2.455 0.020 . 2 . . . . 33 ASP HB3 . 16389 1
393 . 1 1 33 33 ASP CA C 13 53.826 0.400 . 1 . . . . 33 ASP CA . 16389 1
394 . 1 1 33 33 ASP CB C 13 44.683 0.400 . 1 . . . . 33 ASP CB . 16389 1
395 . 1 1 33 33 ASP N N 15 125.181 0.400 . 1 . . . . 33 ASP N . 16389 1
396 . 1 1 34 34 ASP H H 1 8.610 0.020 . 1 . . . . 34 ASP H . 16389 1
397 . 1 1 34 34 ASP HA H 1 4.067 0.020 . 1 . . . . 34 ASP HA . 16389 1
398 . 1 1 34 34 ASP HB2 H 1 2.928 0.020 . 2 . . . . 34 ASP HB2 . 16389 1
399 . 1 1 34 34 ASP HB3 H 1 2.518 0.020 . 2 . . . . 34 ASP HB3 . 16389 1
400 . 1 1 34 34 ASP CA C 13 56.340 0.400 . 1 . . . . 34 ASP CA . 16389 1
401 . 1 1 34 34 ASP CB C 13 39.750 0.400 . 1 . . . . 34 ASP CB . 16389 1
402 . 1 1 34 34 ASP N N 15 124.701 0.400 . 1 . . . . 34 ASP N . 16389 1
403 . 1 1 35 35 ASN H H 1 7.987 0.020 . 1 . . . . 35 ASN H . 16389 1
404 . 1 1 35 35 ASN HA H 1 3.889 0.020 . 1 . . . . 35 ASN HA . 16389 1
405 . 1 1 35 35 ASN HB2 H 1 3.035 0.020 . 2 . . . . 35 ASN HB2 . 16389 1
406 . 1 1 35 35 ASN HB3 H 1 2.965 0.020 . 2 . . . . 35 ASN HB3 . 16389 1
407 . 1 1 35 35 ASN HD21 H 1 6.801 0.020 . 2 . . . . 35 ASN HD21 . 16389 1
408 . 1 1 35 35 ASN HD22 H 1 7.407 0.020 . 2 . . . . 35 ASN HD22 . 16389 1
409 . 1 1 35 35 ASN CA C 13 55.225 0.400 . 1 . . . . 35 ASN CA . 16389 1
410 . 1 1 35 35 ASN CB C 13 37.764 0.400 . 1 . . . . 35 ASN CB . 16389 1
411 . 1 1 35 35 ASN N N 15 107.939 0.400 . 1 . . . . 35 ASN N . 16389 1
412 . 1 1 35 35 ASN ND2 N 15 111.726 0.400 . 1 . . . . 35 ASN ND2 . 16389 1
413 . 1 1 36 36 GLU H H 1 7.711 0.020 . 1 . . . . 36 GLU H . 16389 1
414 . 1 1 36 36 GLU HA H 1 4.609 0.020 . 1 . . . . 36 GLU HA . 16389 1
415 . 1 1 36 36 GLU HB2 H 1 1.860 0.020 . 2 . . . . 36 GLU HB2 . 16389 1
416 . 1 1 36 36 GLU HB3 H 1 1.940 0.020 . 2 . . . . 36 GLU HB3 . 16389 1
417 . 1 1 36 36 GLU HG2 H 1 2.174 0.020 . 1 . . . . 36 GLU HG2 . 16389 1
418 . 1 1 36 36 GLU HG3 H 1 2.174 0.020 . 1 . . . . 36 GLU HG3 . 16389 1
419 . 1 1 36 36 GLU CA C 13 54.840 0.400 . 1 . . . . 36 GLU CA . 16389 1
420 . 1 1 36 36 GLU CB C 13 33.506 0.400 . 1 . . . . 36 GLU CB . 16389 1
421 . 1 1 36 36 GLU CG C 13 36.157 0.400 . 1 . . . . 36 GLU CG . 16389 1
422 . 1 1 36 36 GLU N N 15 117.349 0.400 . 1 . . . . 36 GLU N . 16389 1
423 . 1 1 37 37 VAL H H 1 8.661 0.020 . 1 . . . . 37 VAL H . 16389 1
424 . 1 1 37 37 VAL HA H 1 3.914 0.020 . 1 . . . . 37 VAL HA . 16389 1
425 . 1 1 37 37 VAL HB H 1 1.951 0.020 . 1 . . . . 37 VAL HB . 16389 1
426 . 1 1 37 37 VAL HG11 H 1 0.789 0.020 . 2 . . . . 37 VAL HG11 . 16389 1
427 . 1 1 37 37 VAL HG12 H 1 0.789 0.020 . 2 . . . . 37 VAL HG12 . 16389 1
428 . 1 1 37 37 VAL HG13 H 1 0.789 0.020 . 2 . . . . 37 VAL HG13 . 16389 1
429 . 1 1 37 37 VAL HG21 H 1 0.855 0.020 . 2 . . . . 37 VAL HG21 . 16389 1
430 . 1 1 37 37 VAL HG22 H 1 0.855 0.020 . 2 . . . . 37 VAL HG22 . 16389 1
431 . 1 1 37 37 VAL HG23 H 1 0.855 0.020 . 2 . . . . 37 VAL HG23 . 16389 1
432 . 1 1 37 37 VAL CA C 13 64.387 0.400 . 1 . . . . 37 VAL CA . 16389 1
433 . 1 1 37 37 VAL CB C 13 31.743 0.400 . 1 . . . . 37 VAL CB . 16389 1
434 . 1 1 37 37 VAL CG1 C 13 21.686 0.400 . 1 . . . . 37 VAL CG1 . 16389 1
435 . 1 1 37 37 VAL CG2 C 13 22.461 0.400 . 1 . . . . 37 VAL CG2 . 16389 1
436 . 1 1 37 37 VAL N N 15 123.207 0.400 . 1 . . . . 37 VAL N . 16389 1
437 . 1 1 38 38 LYS H H 1 9.125 0.020 . 1 . . . . 38 LYS H . 16389 1
438 . 1 1 38 38 LYS HA H 1 4.523 0.020 . 1 . . . . 38 LYS HA . 16389 1
439 . 1 1 38 38 LYS HB2 H 1 1.854 0.020 . 2 . . . . 38 LYS HB2 . 16389 1
440 . 1 1 38 38 LYS HB3 H 1 1.581 0.020 . 2 . . . . 38 LYS HB3 . 16389 1
441 . 1 1 38 38 LYS HD2 H 1 1.680 0.020 . 2 . . . . 38 LYS HD2 . 16389 1
442 . 1 1 38 38 LYS HD3 H 1 1.570 0.020 . 2 . . . . 38 LYS HD3 . 16389 1
443 . 1 1 38 38 LYS HE2 H 1 2.980 0.020 . 1 . . . . 38 LYS HE2 . 16389 1
444 . 1 1 38 38 LYS HE3 H 1 2.980 0.020 . 1 . . . . 38 LYS HE3 . 16389 1
445 . 1 1 38 38 LYS HG2 H 1 1.534 0.020 . 2 . . . . 38 LYS HG2 . 16389 1
446 . 1 1 38 38 LYS HG3 H 1 1.570 0.020 . 2 . . . . 38 LYS HG3 . 16389 1
447 . 1 1 38 38 LYS CA C 13 55.274 0.400 . 1 . . . . 38 LYS CA . 16389 1
448 . 1 1 38 38 LYS CB C 13 34.579 0.400 . 1 . . . . 38 LYS CB . 16389 1
449 . 1 1 38 38 LYS CD C 13 28.370 0.400 . 1 . . . . 38 LYS CD . 16389 1
450 . 1 1 38 38 LYS CE C 13 42.420 0.400 . 1 . . . . 38 LYS CE . 16389 1
451 . 1 1 38 38 LYS CG C 13 24.767 0.400 . 1 . . . . 38 LYS CG . 16389 1
452 . 1 1 38 38 LYS N N 15 127.569 0.400 . 1 . . . . 38 LYS N . 16389 1
453 . 1 1 39 39 SER H H 1 7.520 0.020 . 1 . . . . 39 SER H . 16389 1
454 . 1 1 39 39 SER HA H 1 4.704 0.020 . 1 . . . . 39 SER HA . 16389 1
455 . 1 1 39 39 SER HB2 H 1 3.875 0.020 . 1 . . . . 39 SER HB2 . 16389 1
456 . 1 1 39 39 SER HB3 H 1 3.875 0.020 . 1 . . . . 39 SER HB3 . 16389 1
457 . 1 1 39 39 SER CA C 13 58.117 0.400 . 1 . . . . 39 SER CA . 16389 1
458 . 1 1 39 39 SER CB C 13 64.980 0.400 . 1 . . . . 39 SER CB . 16389 1
459 . 1 1 39 39 SER N N 15 110.898 0.400 . 1 . . . . 39 SER N . 16389 1
460 . 1 1 40 40 THR H H 1 8.122 0.020 . 1 . . . . 40 THR H . 16389 1
461 . 1 1 40 40 THR HA H 1 5.390 0.020 . 1 . . . . 40 THR HA . 16389 1
462 . 1 1 40 40 THR HB H 1 3.956 0.020 . 1 . . . . 40 THR HB . 16389 1
463 . 1 1 40 40 THR HG21 H 1 1.081 0.020 . 1 . . . . 40 THR HG21 . 16389 1
464 . 1 1 40 40 THR HG22 H 1 1.081 0.020 . 1 . . . . 40 THR HG22 . 16389 1
465 . 1 1 40 40 THR HG23 H 1 1.081 0.020 . 1 . . . . 40 THR HG23 . 16389 1
466 . 1 1 40 40 THR CA C 13 60.519 0.400 . 1 . . . . 40 THR CA . 16389 1
467 . 1 1 40 40 THR CB C 13 72.633 0.400 . 1 . . . . 40 THR CB . 16389 1
468 . 1 1 40 40 THR CG2 C 13 22.459 0.400 . 1 . . . . 40 THR CG2 . 16389 1
469 . 1 1 40 40 THR N N 15 112.018 0.400 . 1 . . . . 40 THR N . 16389 1
470 . 1 1 41 41 LYS H H 1 8.641 0.020 . 1 . . . . 41 LYS H . 16389 1
471 . 1 1 41 41 LYS HA H 1 4.597 0.020 . 1 . . . . 41 LYS HA . 16389 1
472 . 1 1 41 41 LYS HB2 H 1 1.721 0.020 . 1 . . . . 41 LYS HB2 . 16389 1
473 . 1 1 41 41 LYS HB3 H 1 1.721 0.020 . 1 . . . . 41 LYS HB3 . 16389 1
474 . 1 1 41 41 LYS HD2 H 1 1.534 0.020 . 1 . . . . 41 LYS HD2 . 16389 1
475 . 1 1 41 41 LYS HD3 H 1 1.534 0.020 . 1 . . . . 41 LYS HD3 . 16389 1
476 . 1 1 41 41 LYS HE2 H 1 2.755 0.020 . 1 . . . . 41 LYS HE2 . 16389 1
477 . 1 1 41 41 LYS HE3 H 1 2.755 0.020 . 1 . . . . 41 LYS HE3 . 16389 1
478 . 1 1 41 41 LYS HG2 H 1 1.182 0.020 . 2 . . . . 41 LYS HG2 . 16389 1
479 . 1 1 41 41 LYS HG3 H 1 1.259 0.020 . 2 . . . . 41 LYS HG3 . 16389 1
480 . 1 1 41 41 LYS CA C 13 55.610 0.400 . 1 . . . . 41 LYS CA . 16389 1
481 . 1 1 41 41 LYS CB C 13 36.316 0.400 . 1 . . . . 41 LYS CB . 16389 1
482 . 1 1 41 41 LYS CD C 13 29.889 0.400 . 1 . . . . 41 LYS CD . 16389 1
483 . 1 1 41 41 LYS CE C 13 42.305 0.400 . 1 . . . . 41 LYS CE . 16389 1
484 . 1 1 41 41 LYS CG C 13 24.913 0.400 . 1 . . . . 41 LYS CG . 16389 1
485 . 1 1 41 41 LYS N N 15 120.890 0.400 . 1 . . . . 41 LYS N . 16389 1
486 . 1 1 42 42 VAL H H 1 8.150 0.020 . 1 . . . . 42 VAL H . 16389 1
487 . 1 1 42 42 VAL HA H 1 4.757 0.020 . 1 . . . . 42 VAL HA . 16389 1
488 . 1 1 42 42 VAL HB H 1 1.552 0.020 . 1 . . . . 42 VAL HB . 16389 1
489 . 1 1 42 42 VAL HG11 H 1 0.209 0.020 . 2 . . . . 42 VAL HG11 . 16389 1
490 . 1 1 42 42 VAL HG12 H 1 0.209 0.020 . 2 . . . . 42 VAL HG12 . 16389 1
491 . 1 1 42 42 VAL HG13 H 1 0.209 0.020 . 2 . . . . 42 VAL HG13 . 16389 1
492 . 1 1 42 42 VAL HG21 H 1 0.540 0.020 . 2 . . . . 42 VAL HG21 . 16389 1
493 . 1 1 42 42 VAL HG22 H 1 0.540 0.020 . 2 . . . . 42 VAL HG22 . 16389 1
494 . 1 1 42 42 VAL HG23 H 1 0.540 0.020 . 2 . . . . 42 VAL HG23 . 16389 1
495 . 1 1 42 42 VAL CA C 13 61.738 0.400 . 1 . . . . 42 VAL CA . 16389 1
496 . 1 1 42 42 VAL CB C 13 34.630 0.400 . 1 . . . . 42 VAL CB . 16389 1
497 . 1 1 42 42 VAL CG1 C 13 21.300 0.400 . 1 . . . . 42 VAL CG1 . 16389 1
498 . 1 1 42 42 VAL CG2 C 13 21.088 0.400 . 1 . . . . 42 VAL CG2 . 16389 1
499 . 1 1 42 42 VAL N N 15 121.400 0.400 . 1 . . . . 42 VAL N . 16389 1
500 . 1 1 43 43 ILE H H 1 8.659 0.020 . 1 . . . . 43 ILE H . 16389 1
501 . 1 1 43 43 ILE HA H 1 4.369 0.020 . 1 . . . . 43 ILE HA . 16389 1
502 . 1 1 43 43 ILE HB H 1 1.704 0.020 . 1 . . . . 43 ILE HB . 16389 1
503 . 1 1 43 43 ILE HD11 H 1 0.673 0.020 . 1 . . . . 43 ILE HD11 . 16389 1
504 . 1 1 43 43 ILE HD12 H 1 0.673 0.020 . 1 . . . . 43 ILE HD12 . 16389 1
505 . 1 1 43 43 ILE HD13 H 1 0.673 0.020 . 1 . . . . 43 ILE HD13 . 16389 1
506 . 1 1 43 43 ILE HG12 H 1 1.391 0.020 . 2 . . . . 43 ILE HG12 . 16389 1
507 . 1 1 43 43 ILE HG13 H 1 1.098 0.020 . 2 . . . . 43 ILE HG13 . 16389 1
508 . 1 1 43 43 ILE HG21 H 1 1.050 0.020 . 1 . . . . 43 ILE HG21 . 16389 1
509 . 1 1 43 43 ILE HG22 H 1 1.050 0.020 . 1 . . . . 43 ILE HG22 . 16389 1
510 . 1 1 43 43 ILE HG23 H 1 1.050 0.020 . 1 . . . . 43 ILE HG23 . 16389 1
511 . 1 1 43 43 ILE CA C 13 60.187 0.400 . 1 . . . . 43 ILE CA . 16389 1
512 . 1 1 43 43 ILE CB C 13 42.009 0.400 . 1 . . . . 43 ILE CB . 16389 1
513 . 1 1 43 43 ILE CD1 C 13 13.727 0.400 . 1 . . . . 43 ILE CD1 . 16389 1
514 . 1 1 43 43 ILE CG1 C 13 27.549 0.400 . 1 . . . . 43 ILE CG1 . 16389 1
515 . 1 1 43 43 ILE CG2 C 13 17.989 0.400 . 1 . . . . 43 ILE CG2 . 16389 1
516 . 1 1 43 43 ILE N N 15 125.520 0.400 . 1 . . . . 43 ILE N . 16389 1
517 . 1 1 44 44 PHE H H 1 9.053 0.020 . 1 . . . . 44 PHE H . 16389 1
518 . 1 1 44 44 PHE HA H 1 4.308 0.020 . 1 . . . . 44 PHE HA . 16389 1
519 . 1 1 44 44 PHE HB2 H 1 3.035 0.020 . 1 . . . . 44 PHE HB2 . 16389 1
520 . 1 1 44 44 PHE HB3 H 1 3.035 0.020 . 1 . . . . 44 PHE HB3 . 16389 1
521 . 1 1 44 44 PHE HD1 H 1 7.269 0.020 . 1 . . . . 44 PHE HD1 . 16389 1
522 . 1 1 44 44 PHE HD2 H 1 7.269 0.020 . 1 . . . . 44 PHE HD2 . 16389 1
523 . 1 1 44 44 PHE HE1 H 1 7.166 0.020 . 1 . . . . 44 PHE HE1 . 16389 1
524 . 1 1 44 44 PHE HE2 H 1 7.166 0.020 . 1 . . . . 44 PHE HE2 . 16389 1
525 . 1 1 44 44 PHE HZ H 1 7.020 0.020 . 1 . . . . 44 PHE HZ . 16389 1
526 . 1 1 44 44 PHE CA C 13 60.362 0.400 . 1 . . . . 44 PHE CA . 16389 1
527 . 1 1 44 44 PHE CB C 13 39.435 0.400 . 1 . . . . 44 PHE CB . 16389 1
528 . 1 1 44 44 PHE CD1 C 13 131.411 0.400 . 1 . . . . 44 PHE CD1 . 16389 1
529 . 1 1 44 44 PHE CE1 C 13 131.445 0.400 . 1 . . . . 44 PHE CE1 . 16389 1
530 . 1 1 44 44 PHE CZ C 13 129.759 0.400 . 1 . . . . 44 PHE CZ . 16389 1
531 . 1 1 44 44 PHE N N 15 127.064 0.400 . 1 . . . . 44 PHE N . 16389 1
532 . 1 1 45 45 ASN H H 1 7.661 0.020 . 1 . . . . 45 ASN H . 16389 1
533 . 1 1 45 45 ASN HA H 1 4.859 0.020 . 1 . . . . 45 ASN HA . 16389 1
534 . 1 1 45 45 ASN HB2 H 1 2.619 0.020 . 2 . . . . 45 ASN HB2 . 16389 1
535 . 1 1 45 45 ASN HB3 H 1 1.540 0.020 . 2 . . . . 45 ASN HB3 . 16389 1
536 . 1 1 45 45 ASN HD21 H 1 5.948 0.020 . 2 . . . . 45 ASN HD21 . 16389 1
537 . 1 1 45 45 ASN HD22 H 1 7.861 0.020 . 2 . . . . 45 ASN HD22 . 16389 1
538 . 1 1 45 45 ASN CA C 13 52.427 0.400 . 1 . . . . 45 ASN CA . 16389 1
539 . 1 1 45 45 ASN CB C 13 37.750 0.400 . 1 . . . . 45 ASN CB . 16389 1
540 . 1 1 45 45 ASN N N 15 119.400 0.400 . 1 . . . . 45 ASN N . 16389 1
541 . 1 1 45 45 ASN ND2 N 15 112.164 0.400 . 1 . . . . 45 ASN ND2 . 16389 1
542 . 1 1 46 46 ASP H H 1 7.851 0.020 . 1 . . . . 46 ASP H . 16389 1
543 . 1 1 46 46 ASP HA H 1 4.700 0.020 . 1 . . . . 46 ASP HA . 16389 1
544 . 1 1 46 46 ASP HB2 H 1 2.797 0.020 . 2 . . . . 46 ASP HB2 . 16389 1
545 . 1 1 46 46 ASP HB3 H 1 3.176 0.020 . 2 . . . . 46 ASP HB3 . 16389 1
546 . 1 1 46 46 ASP CA C 13 52.273 0.400 . 1 . . . . 46 ASP CA . 16389 1
547 . 1 1 46 46 ASP CB C 13 41.647 0.400 . 1 . . . . 46 ASP CB . 16389 1
548 . 1 1 46 46 ASP N N 15 123.371 0.400 . 1 . . . . 46 ASP N . 16389 1
549 . 1 1 47 47 GLU H H 1 8.594 0.020 . 1 . . . . 47 GLU H . 16389 1
550 . 1 1 47 47 GLU HA H 1 4.036 0.020 . 1 . . . . 47 GLU HA . 16389 1
551 . 1 1 47 47 GLU HB2 H 1 2.073 0.020 . 1 . . . . 47 GLU HB2 . 16389 1
552 . 1 1 47 47 GLU HB3 H 1 2.073 0.020 . 1 . . . . 47 GLU HB3 . 16389 1
553 . 1 1 47 47 GLU HG2 H 1 2.331 0.020 . 1 . . . . 47 GLU HG2 . 16389 1
554 . 1 1 47 47 GLU HG3 H 1 2.331 0.020 . 1 . . . . 47 GLU HG3 . 16389 1
555 . 1 1 47 47 GLU CA C 13 60.769 0.400 . 1 . . . . 47 GLU CA . 16389 1
556 . 1 1 47 47 GLU CB C 13 29.524 0.400 . 1 . . . . 47 GLU CB . 16389 1
557 . 1 1 47 47 GLU CG C 13 36.632 0.400 . 1 . . . . 47 GLU CG . 16389 1
558 . 1 1 47 47 GLU N N 15 119.009 0.400 . 1 . . . . 47 GLU N . 16389 1
559 . 1 1 48 48 SER H H 1 8.189 0.020 . 1 . . . . 48 SER H . 16389 1
560 . 1 1 48 48 SER HA H 1 4.325 0.020 . 1 . . . . 48 SER HA . 16389 1
561 . 1 1 48 48 SER HB2 H 1 3.956 0.020 . 1 . . . . 48 SER HB2 . 16389 1
562 . 1 1 48 48 SER HB3 H 1 3.956 0.020 . 1 . . . . 48 SER HB3 . 16389 1
563 . 1 1 48 48 SER CA C 13 61.267 0.400 . 1 . . . . 48 SER CA . 16389 1
564 . 1 1 48 48 SER CB C 13 63.288 0.400 . 1 . . . . 48 SER CB . 16389 1
565 . 1 1 48 48 SER N N 15 114.380 0.400 . 1 . . . . 48 SER N . 16389 1
566 . 1 1 49 49 GLY H H 1 8.969 0.020 . 1 . . . . 49 GLY H . 16389 1
567 . 1 1 49 49 GLY HA2 H 1 4.689 0.020 . 2 . . . . 49 GLY HA2 . 16389 1
568 . 1 1 49 49 GLY HA3 H 1 3.835 0.020 . 2 . . . . 49 GLY HA3 . 16389 1
569 . 1 1 49 49 GLY CA C 13 47.894 0.400 . 1 . . . . 49 GLY CA . 16389 1
570 . 1 1 49 49 GLY N N 15 115.036 0.400 . 1 . . . . 49 GLY N . 16389 1
571 . 1 1 50 50 LYS H H 1 8.432 0.020 . 1 . . . . 50 LYS H . 16389 1
572 . 1 1 50 50 LYS HA H 1 3.895 0.020 . 1 . . . . 50 LYS HA . 16389 1
573 . 1 1 50 50 LYS HB2 H 1 1.941 0.020 . 2 . . . . 50 LYS HB2 . 16389 1
574 . 1 1 50 50 LYS HB3 H 1 1.867 0.020 . 2 . . . . 50 LYS HB3 . 16389 1
575 . 1 1 50 50 LYS HD2 H 1 1.701 0.020 . 1 . . . . 50 LYS HD2 . 16389 1
576 . 1 1 50 50 LYS HD3 H 1 1.701 0.020 . 1 . . . . 50 LYS HD3 . 16389 1
577 . 1 1 50 50 LYS HE2 H 1 2.982 0.020 . 1 . . . . 50 LYS HE2 . 16389 1
578 . 1 1 50 50 LYS HE3 H 1 2.982 0.020 . 1 . . . . 50 LYS HE3 . 16389 1
579 . 1 1 50 50 LYS HG2 H 1 1.424 0.020 . 2 . . . . 50 LYS HG2 . 16389 1
580 . 1 1 50 50 LYS HG3 H 1 1.833 0.020 . 2 . . . . 50 LYS HG3 . 16389 1
581 . 1 1 50 50 LYS CA C 13 60.624 0.400 . 1 . . . . 50 LYS CA . 16389 1
582 . 1 1 50 50 LYS CB C 13 32.839 0.400 . 1 . . . . 50 LYS CB . 16389 1
583 . 1 1 50 50 LYS CD C 13 29.790 0.400 . 1 . . . . 50 LYS CD . 16389 1
584 . 1 1 50 50 LYS CE C 13 42.488 0.400 . 1 . . . . 50 LYS CE . 16389 1
585 . 1 1 50 50 LYS CG C 13 26.942 0.400 . 1 . . . . 50 LYS CG . 16389 1
586 . 1 1 50 50 LYS N N 15 119.788 0.400 . 1 . . . . 50 LYS N . 16389 1
587 . 1 1 51 51 LYS H H 1 7.463 0.020 . 1 . . . . 51 LYS H . 16389 1
588 . 1 1 51 51 LYS HA H 1 4.177 0.020 . 1 . . . . 51 LYS HA . 16389 1
589 . 1 1 51 51 LYS HB2 H 1 2.009 0.020 . 2 . . . . 51 LYS HB2 . 16389 1
590 . 1 1 51 51 LYS HB3 H 1 1.898 0.020 . 2 . . . . 51 LYS HB3 . 16389 1
591 . 1 1 51 51 LYS HD2 H 1 1.703 0.020 . 1 . . . . 51 LYS HD2 . 16389 1
592 . 1 1 51 51 LYS HD3 H 1 1.703 0.020 . 1 . . . . 51 LYS HD3 . 16389 1
593 . 1 1 51 51 LYS HE2 H 1 2.981 0.020 . 1 . . . . 51 LYS HE2 . 16389 1
594 . 1 1 51 51 LYS HE3 H 1 2.981 0.020 . 1 . . . . 51 LYS HE3 . 16389 1
595 . 1 1 51 51 LYS HG2 H 1 1.455 0.020 . 2 . . . . 51 LYS HG2 . 16389 1
596 . 1 1 51 51 LYS HG3 H 1 1.653 0.020 . 2 . . . . 51 LYS HG3 . 16389 1
597 . 1 1 51 51 LYS CA C 13 59.201 0.400 . 1 . . . . 51 LYS CA . 16389 1
598 . 1 1 51 51 LYS CB C 13 32.716 0.400 . 1 . . . . 51 LYS CB . 16389 1
599 . 1 1 51 51 LYS CD C 13 29.774 0.400 . 1 . . . . 51 LYS CD . 16389 1
600 . 1 1 51 51 LYS CE C 13 42.451 0.400 . 1 . . . . 51 LYS CE . 16389 1
601 . 1 1 51 51 LYS CG C 13 25.837 0.400 . 1 . . . . 51 LYS CG . 16389 1
602 . 1 1 51 51 LYS N N 15 117.430 0.400 . 1 . . . . 51 LYS N . 16389 1
603 . 1 1 52 52 SER H H 1 8.443 0.020 . 1 . . . . 52 SER H . 16389 1
604 . 1 1 52 52 SER HA H 1 4.189 0.020 . 1 . . . . 52 SER HA . 16389 1
605 . 1 1 52 52 SER HB2 H 1 4.190 0.020 . 2 . . . . 52 SER HB2 . 16389 1
606 . 1 1 52 52 SER HB3 H 1 3.936 0.020 . 2 . . . . 52 SER HB3 . 16389 1
607 . 1 1 52 52 SER CA C 13 62.446 0.400 . 1 . . . . 52 SER CA . 16389 1
608 . 1 1 52 52 SER CB C 13 63.208 0.400 . 1 . . . . 52 SER CB . 16389 1
609 . 1 1 52 52 SER N N 15 117.609 0.400 . 1 . . . . 52 SER N . 16389 1
610 . 1 1 53 53 ILE H H 1 8.022 0.020 . 1 . . . . 53 ILE H . 16389 1
611 . 1 1 53 53 ILE HA H 1 3.475 0.020 . 1 . . . . 53 ILE HA . 16389 1
612 . 1 1 53 53 ILE HB H 1 1.693 0.020 . 1 . . . . 53 ILE HB . 16389 1
613 . 1 1 53 53 ILE HD11 H 1 -0.142 0.020 . 1 . . . . 53 ILE HD11 . 16389 1
614 . 1 1 53 53 ILE HD12 H 1 -0.142 0.020 . 1 . . . . 53 ILE HD12 . 16389 1
615 . 1 1 53 53 ILE HD13 H 1 -0.142 0.020 . 1 . . . . 53 ILE HD13 . 16389 1
616 . 1 1 53 53 ILE HG12 H 1 0.643 0.020 . 2 . . . . 53 ILE HG12 . 16389 1
617 . 1 1 53 53 ILE HG13 H 1 1.070 0.020 . 2 . . . . 53 ILE HG13 . 16389 1
618 . 1 1 53 53 ILE HG21 H 1 0.498 0.020 . 1 . . . . 53 ILE HG21 . 16389 1
619 . 1 1 53 53 ILE HG22 H 1 0.498 0.020 . 1 . . . . 53 ILE HG22 . 16389 1
620 . 1 1 53 53 ILE HG23 H 1 0.498 0.020 . 1 . . . . 53 ILE HG23 . 16389 1
621 . 1 1 53 53 ILE CA C 13 64.740 0.400 . 1 . . . . 53 ILE CA . 16389 1
622 . 1 1 53 53 ILE CB C 13 37.420 0.400 . 1 . . . . 53 ILE CB . 16389 1
623 . 1 1 53 53 ILE CD1 C 13 12.101 0.400 . 1 . . . . 53 ILE CD1 . 16389 1
624 . 1 1 53 53 ILE CG1 C 13 28.557 0.400 . 1 . . . . 53 ILE CG1 . 16389 1
625 . 1 1 53 53 ILE CG2 C 13 17.328 0.400 . 1 . . . . 53 ILE CG2 . 16389 1
626 . 1 1 53 53 ILE N N 15 120.530 0.400 . 1 . . . . 53 ILE N . 16389 1
627 . 1 1 54 54 VAL H H 1 6.854 0.020 . 1 . . . . 54 VAL H . 16389 1
628 . 1 1 54 54 VAL HA H 1 3.739 0.020 . 1 . . . . 54 VAL HA . 16389 1
629 . 1 1 54 54 VAL HB H 1 2.172 0.020 . 1 . . . . 54 VAL HB . 16389 1
630 . 1 1 54 54 VAL HG11 H 1 1.056 0.020 . 2 . . . . 54 VAL HG11 . 16389 1
631 . 1 1 54 54 VAL HG12 H 1 1.056 0.020 . 2 . . . . 54 VAL HG12 . 16389 1
632 . 1 1 54 54 VAL HG13 H 1 1.056 0.020 . 2 . . . . 54 VAL HG13 . 16389 1
633 . 1 1 54 54 VAL HG21 H 1 0.934 0.020 . 2 . . . . 54 VAL HG21 . 16389 1
634 . 1 1 54 54 VAL HG22 H 1 0.934 0.020 . 2 . . . . 54 VAL HG22 . 16389 1
635 . 1 1 54 54 VAL HG23 H 1 0.934 0.020 . 2 . . . . 54 VAL HG23 . 16389 1
636 . 1 1 54 54 VAL CA C 13 65.809 0.400 . 1 . . . . 54 VAL CA . 16389 1
637 . 1 1 54 54 VAL CB C 13 32.229 0.400 . 1 . . . . 54 VAL CB . 16389 1
638 . 1 1 54 54 VAL CG1 C 13 22.518 0.400 . 1 . . . . 54 VAL CG1 . 16389 1
639 . 1 1 54 54 VAL CG2 C 13 21.546 0.400 . 1 . . . . 54 VAL CG2 . 16389 1
640 . 1 1 54 54 VAL N N 15 117.890 0.400 . 1 . . . . 54 VAL N . 16389 1
641 . 1 1 55 55 LYS H H 1 7.573 0.020 . 1 . . . . 55 LYS H . 16389 1
642 . 1 1 55 55 LYS HA H 1 4.076 0.020 . 1 . . . . 55 LYS HA . 16389 1
643 . 1 1 55 55 LYS HB2 H 1 1.908 0.020 . 2 . . . . 55 LYS HB2 . 16389 1
644 . 1 1 55 55 LYS HB3 H 1 1.856 0.020 . 2 . . . . 55 LYS HB3 . 16389 1
645 . 1 1 55 55 LYS HD2 H 1 1.643 0.020 . 1 . . . . 55 LYS HD2 . 16389 1
646 . 1 1 55 55 LYS HD3 H 1 1.643 0.020 . 1 . . . . 55 LYS HD3 . 16389 1
647 . 1 1 55 55 LYS HE2 H 1 2.969 0.020 . 1 . . . . 55 LYS HE2 . 16389 1
648 . 1 1 55 55 LYS HG2 H 1 1.503 0.020 . 2 . . . . 55 LYS HG2 . 16389 1
649 . 1 1 55 55 LYS HG3 H 1 1.448 0.020 . 2 . . . . 55 LYS HG3 . 16389 1
650 . 1 1 55 55 LYS CA C 13 58.390 0.400 . 1 . . . . 55 LYS CA . 16389 1
651 . 1 1 55 55 LYS CB C 13 32.890 0.400 . 1 . . . . 55 LYS CB . 16389 1
652 . 1 1 55 55 LYS CD C 13 29.167 0.400 . 1 . . . . 55 LYS CD . 16389 1
653 . 1 1 55 55 LYS CE C 13 42.457 0.400 . 1 . . . . 55 LYS CE . 16389 1
654 . 1 1 55 55 LYS CG C 13 25.264 0.400 . 1 . . . . 55 LYS CG . 16389 1
655 . 1 1 55 55 LYS N N 15 120.590 0.400 . 1 . . . . 55 LYS N . 16389 1
656 . 1 1 56 56 GLU H H 1 7.686 0.020 . 1 . . . . 56 GLU H . 16389 1
657 . 1 1 56 56 GLU HA H 1 3.908 0.020 . 1 . . . . 56 GLU HA . 16389 1
658 . 1 1 56 56 GLU HB2 H 1 1.958 0.020 . 2 . . . . 56 GLU HB2 . 16389 1
659 . 1 1 56 56 GLU HB3 H 1 1.892 0.020 . 2 . . . . 56 GLU HB3 . 16389 1
660 . 1 1 56 56 GLU HG2 H 1 2.156 0.020 . 1 . . . . 56 GLU HG2 . 16389 1
661 . 1 1 56 56 GLU HG3 H 1 2.156 0.020 . 1 . . . . 56 GLU HG3 . 16389 1
662 . 1 1 56 56 GLU CA C 13 56.904 0.400 . 1 . . . . 56 GLU CA . 16389 1
663 . 1 1 56 56 GLU CB C 13 30.098 0.400 . 1 . . . . 56 GLU CB . 16389 1
664 . 1 1 56 56 GLU CG C 13 36.575 0.400 . 1 . . . . 56 GLU CG . 16389 1
665 . 1 1 56 56 GLU N N 15 116.772 0.400 . 1 . . . . 56 GLU N . 16389 1
666 . 1 1 57 57 ASN H H 1 7.826 0.020 . 1 . . . . 57 ASN H . 16389 1
667 . 1 1 57 57 ASN HA H 1 4.335 0.020 . 1 . . . . 57 ASN HA . 16389 1
668 . 1 1 57 57 ASN HB2 H 1 2.972 0.020 . 2 . . . . 57 ASN HB2 . 16389 1
669 . 1 1 57 57 ASN HB3 H 1 2.691 0.020 . 2 . . . . 57 ASN HB3 . 16389 1
670 . 1 1 57 57 ASN HD21 H 1 6.694 0.020 . 2 . . . . 57 ASN HD21 . 16389 1
671 . 1 1 57 57 ASN HD22 H 1 7.372 0.020 . 2 . . . . 57 ASN HD22 . 16389 1
672 . 1 1 57 57 ASN CA C 13 54.255 0.400 . 1 . . . . 57 ASN CA . 16389 1
673 . 1 1 57 57 ASN CB C 13 36.970 0.400 . 1 . . . . 57 ASN CB . 16389 1
674 . 1 1 57 57 ASN N N 15 114.897 0.400 . 1 . . . . 57 ASN N . 16389 1
675 . 1 1 57 57 ASN ND2 N 15 112.555 0.400 . 1 . . . . 57 ASN ND2 . 16389 1
676 . 1 1 58 58 VAL H H 1 7.531 0.020 . 1 . . . . 58 VAL H . 16389 1
677 . 1 1 58 58 VAL HA H 1 3.685 0.020 . 1 . . . . 58 VAL HA . 16389 1
678 . 1 1 58 58 VAL HB H 1 2.025 0.020 . 1 . . . . 58 VAL HB . 16389 1
679 . 1 1 58 58 VAL HG11 H 1 0.704 0.020 . 2 . . . . 58 VAL HG11 . 16389 1
680 . 1 1 58 58 VAL HG12 H 1 0.704 0.020 . 2 . . . . 58 VAL HG12 . 16389 1
681 . 1 1 58 58 VAL HG13 H 1 0.704 0.020 . 2 . . . . 58 VAL HG13 . 16389 1
682 . 1 1 58 58 VAL HG21 H 1 0.774 0.020 . 2 . . . . 58 VAL HG21 . 16389 1
683 . 1 1 58 58 VAL HG22 H 1 0.774 0.020 . 2 . . . . 58 VAL HG22 . 16389 1
684 . 1 1 58 58 VAL HG23 H 1 0.774 0.020 . 2 . . . . 58 VAL HG23 . 16389 1
685 . 1 1 58 58 VAL CA C 13 63.244 0.400 . 1 . . . . 58 VAL CA . 16389 1
686 . 1 1 58 58 VAL CB C 13 32.251 0.400 . 1 . . . . 58 VAL CB . 16389 1
687 . 1 1 58 58 VAL CG1 C 13 21.136 0.400 . 1 . . . . 58 VAL CG1 . 16389 1
688 . 1 1 58 58 VAL CG2 C 13 23.192 0.400 . 1 . . . . 58 VAL CG2 . 16389 1
689 . 1 1 58 58 VAL N N 15 113.320 0.400 . 1 . . . . 58 VAL N . 16389 1
690 . 1 1 59 59 ASN H H 1 8.951 0.020 . 1 . . . . 59 ASN H . 16389 1
691 . 1 1 59 59 ASN HA H 1 4.938 0.020 . 1 . . . . 59 ASN HA . 16389 1
692 . 1 1 59 59 ASN HB2 H 1 3.178 0.020 . 2 . . . . 59 ASN HB2 . 16389 1
693 . 1 1 59 59 ASN HB3 H 1 2.779 0.020 . 2 . . . . 59 ASN HB3 . 16389 1
694 . 1 1 59 59 ASN HD21 H 1 7.876 0.020 . 2 . . . . 59 ASN HD21 . 16389 1
695 . 1 1 59 59 ASN HD22 H 1 6.920 0.020 . 2 . . . . 59 ASN HD22 . 16389 1
696 . 1 1 59 59 ASN CA C 13 55.620 0.400 . 1 . . . . 59 ASN CA . 16389 1
697 . 1 1 59 59 ASN CB C 13 42.099 0.400 . 1 . . . . 59 ASN CB . 16389 1
698 . 1 1 59 59 ASN N N 15 119.195 0.400 . 1 . . . . 59 ASN N . 16389 1
699 . 1 1 59 59 ASN ND2 N 15 110.526 0.400 . 1 . . . . 59 ASN ND2 . 16389 1
700 . 1 1 60 60 ALA H H 1 7.782 0.020 . 1 . . . . 60 ALA H . 16389 1
701 . 1 1 60 60 ALA HA H 1 5.758 0.020 . 1 . . . . 60 ALA HA . 16389 1
702 . 1 1 60 60 ALA HB1 H 1 1.408 0.020 . 1 . . . . 60 ALA HB1 . 16389 1
703 . 1 1 60 60 ALA HB2 H 1 1.408 0.020 . 1 . . . . 60 ALA HB2 . 16389 1
704 . 1 1 60 60 ALA HB3 H 1 1.408 0.020 . 1 . . . . 60 ALA HB3 . 16389 1
705 . 1 1 60 60 ALA CA C 13 51.060 0.400 . 1 . . . . 60 ALA CA . 16389 1
706 . 1 1 60 60 ALA CB C 13 23.326 0.400 . 1 . . . . 60 ALA CB . 16389 1
707 . 1 1 60 60 ALA N N 15 120.420 0.400 . 1 . . . . 60 ALA N . 16389 1
708 . 1 1 61 61 ILE H H 1 8.758 0.020 . 1 . . . . 61 ILE H . 16389 1
709 . 1 1 61 61 ILE HA H 1 5.141 0.020 . 1 . . . . 61 ILE HA . 16389 1
710 . 1 1 61 61 ILE HB H 1 1.291 0.020 . 1 . . . . 61 ILE HB . 16389 1
711 . 1 1 61 61 ILE HD11 H 1 0.133 0.020 . 1 . . . . 61 ILE HD11 . 16389 1
712 . 1 1 61 61 ILE HD12 H 1 0.133 0.020 . 1 . . . . 61 ILE HD12 . 16389 1
713 . 1 1 61 61 ILE HD13 H 1 0.133 0.020 . 1 . . . . 61 ILE HD13 . 16389 1
714 . 1 1 61 61 ILE HG12 H 1 1.369 0.020 . 2 . . . . 61 ILE HG12 . 16389 1
715 . 1 1 61 61 ILE HG13 H 1 0.700 0.020 . 2 . . . . 61 ILE HG13 . 16389 1
716 . 1 1 61 61 ILE HG21 H 1 0.780 0.020 . 1 . . . . 61 ILE HG21 . 16389 1
717 . 1 1 61 61 ILE HG22 H 1 0.780 0.020 . 1 . . . . 61 ILE HG22 . 16389 1
718 . 1 1 61 61 ILE HG23 H 1 0.780 0.020 . 1 . . . . 61 ILE HG23 . 16389 1
719 . 1 1 61 61 ILE CA C 13 59.261 0.400 . 1 . . . . 61 ILE CA . 16389 1
720 . 1 1 61 61 ILE CB C 13 43.620 0.400 . 1 . . . . 61 ILE CB . 16389 1
721 . 1 1 61 61 ILE CD1 C 13 13.908 0.400 . 1 . . . . 61 ILE CD1 . 16389 1
722 . 1 1 61 61 ILE CG1 C 13 29.118 0.400 . 1 . . . . 61 ILE CG1 . 16389 1
723 . 1 1 61 61 ILE CG2 C 13 17.842 0.400 . 1 . . . . 61 ILE CG2 . 16389 1
724 . 1 1 61 61 ILE N N 15 121.459 0.400 . 1 . . . . 61 ILE N . 16389 1
725 . 1 1 62 62 ILE H H 1 8.724 0.020 . 1 . . . . 62 ILE H . 16389 1
726 . 1 1 62 62 ILE HA H 1 4.809 0.020 . 1 . . . . 62 ILE HA . 16389 1
727 . 1 1 62 62 ILE HB H 1 1.429 0.020 . 1 . . . . 62 ILE HB . 16389 1
728 . 1 1 62 62 ILE HD11 H 1 0.212 0.020 . 1 . . . . 62 ILE HD11 . 16389 1
729 . 1 1 62 62 ILE HD12 H 1 0.212 0.020 . 1 . . . . 62 ILE HD12 . 16389 1
730 . 1 1 62 62 ILE HD13 H 1 0.212 0.020 . 1 . . . . 62 ILE HD13 . 16389 1
731 . 1 1 62 62 ILE HG12 H 1 0.539 0.020 . 2 . . . . 62 ILE HG12 . 16389 1
732 . 1 1 62 62 ILE HG13 H 1 1.103 0.020 . 2 . . . . 62 ILE HG13 . 16389 1
733 . 1 1 62 62 ILE HG21 H 1 0.616 0.020 . 1 . . . . 62 ILE HG21 . 16389 1
734 . 1 1 62 62 ILE HG22 H 1 0.616 0.020 . 1 . . . . 62 ILE HG22 . 16389 1
735 . 1 1 62 62 ILE HG23 H 1 0.616 0.020 . 1 . . . . 62 ILE HG23 . 16389 1
736 . 1 1 62 62 ILE CA C 13 60.987 0.400 . 1 . . . . 62 ILE CA . 16389 1
737 . 1 1 62 62 ILE CB C 13 40.620 0.400 . 1 . . . . 62 ILE CB . 16389 1
738 . 1 1 62 62 ILE CD1 C 13 13.490 0.400 . 1 . . . . 62 ILE CD1 . 16389 1
739 . 1 1 62 62 ILE CG1 C 13 26.976 0.400 . 1 . . . . 62 ILE CG1 . 16389 1
740 . 1 1 62 62 ILE CG2 C 13 17.414 0.400 . 1 . . . . 62 ILE CG2 . 16389 1
741 . 1 1 62 62 ILE N N 15 125.685 0.400 . 1 . . . . 62 ILE N . 16389 1
742 . 1 1 63 63 CYS H H 1 8.704 0.020 . 1 . . . . 63 CYS H . 16389 1
743 . 1 1 63 63 CYS HA H 1 4.929 0.020 . 1 . . . . 63 CYS HA . 16389 1
744 . 1 1 63 63 CYS HB2 H 1 3.012 0.020 . 2 . . . . 63 CYS HB2 . 16389 1
745 . 1 1 63 63 CYS HB3 H 1 2.862 0.020 . 2 . . . . 63 CYS HB3 . 16389 1
746 . 1 1 63 63 CYS CA C 13 55.502 0.400 . 1 . . . . 63 CYS CA . 16389 1
747 . 1 1 63 63 CYS CB C 13 30.880 0.400 . 1 . . . . 63 CYS CB . 16389 1
748 . 1 1 63 63 CYS N N 15 117.777 0.400 . 1 . . . . 63 CYS N . 16389 1
749 . 1 1 64 64 LYS H H 1 10.081 0.020 . 1 . . . . 64 LYS H . 16389 1
750 . 1 1 64 64 LYS HA H 1 4.167 0.020 . 1 . . . . 64 LYS HA . 16389 1
751 . 1 1 64 64 LYS HB2 H 1 1.821 0.020 . 1 . . . . 64 LYS HB2 . 16389 1
752 . 1 1 64 64 LYS HB3 H 1 1.821 0.020 . 1 . . . . 64 LYS HB3 . 16389 1
753 . 1 1 64 64 LYS HD2 H 1 1.630 0.020 . 1 . . . . 64 LYS HD2 . 16389 1
754 . 1 1 64 64 LYS HD3 H 1 1.630 0.020 . 1 . . . . 64 LYS HD3 . 16389 1
755 . 1 1 64 64 LYS HE2 H 1 2.750 0.020 . 1 . . . . 64 LYS HE2 . 16389 1
756 . 1 1 64 64 LYS HE3 H 1 2.750 0.020 . 1 . . . . 64 LYS HE3 . 16389 1
757 . 1 1 64 64 LYS HG2 H 1 1.395 0.020 . 2 . . . . 64 LYS HG2 . 16389 1
758 . 1 1 64 64 LYS HG3 H 1 1.216 0.020 . 2 . . . . 64 LYS HG3 . 16389 1
759 . 1 1 64 64 LYS CA C 13 58.900 0.400 . 1 . . . . 64 LYS CA . 16389 1
760 . 1 1 64 64 LYS CB C 13 33.630 0.400 . 1 . . . . 64 LYS CB . 16389 1
761 . 1 1 64 64 LYS CD C 13 29.845 0.400 . 1 . . . . 64 LYS CD . 16389 1
762 . 1 1 64 64 LYS CE C 13 42.174 0.400 . 1 . . . . 64 LYS CE . 16389 1
763 . 1 1 64 64 LYS CG C 13 26.902 0.400 . 1 . . . . 64 LYS CG . 16389 1
764 . 1 1 64 64 LYS N N 15 121.550 0.400 . 1 . . . . 64 LYS N . 16389 1
765 . 1 1 65 65 ASN H H 1 6.944 0.020 . 1 . . . . 65 ASN H . 16389 1
766 . 1 1 65 65 ASN HA H 1 4.894 0.020 . 1 . . . . 65 ASN HA . 16389 1
767 . 1 1 65 65 ASN HB2 H 1 2.740 0.020 . 2 . . . . 65 ASN HB2 . 16389 1
768 . 1 1 65 65 ASN HB3 H 1 2.645 0.020 . 2 . . . . 65 ASN HB3 . 16389 1
769 . 1 1 65 65 ASN HD21 H 1 7.758 0.020 . 2 . . . . 65 ASN HD21 . 16389 1
770 . 1 1 65 65 ASN HD22 H 1 6.870 0.020 . 2 . . . . 65 ASN HD22 . 16389 1
771 . 1 1 65 65 ASN CA C 13 52.825 0.400 . 1 . . . . 65 ASN CA . 16389 1
772 . 1 1 65 65 ASN CB C 13 43.331 0.400 . 1 . . . . 65 ASN CB . 16389 1
773 . 1 1 65 65 ASN N N 15 112.640 0.400 . 1 . . . . 65 ASN N . 16389 1
774 . 1 1 65 65 ASN ND2 N 15 114.423 0.400 . 1 . . . . 65 ASN ND2 . 16389 1
775 . 1 1 66 66 ILE H H 1 8.586 0.020 . 1 . . . . 66 ILE H . 16389 1
776 . 1 1 66 66 ILE HA H 1 5.285 0.020 . 1 . . . . 66 ILE HA . 16389 1
777 . 1 1 66 66 ILE HB H 1 1.995 0.020 . 1 . . . . 66 ILE HB . 16389 1
778 . 1 1 66 66 ILE HD11 H 1 0.076 0.020 . 1 . . . . 66 ILE HD11 . 16389 1
779 . 1 1 66 66 ILE HD12 H 1 0.076 0.020 . 1 . . . . 66 ILE HD12 . 16389 1
780 . 1 1 66 66 ILE HD13 H 1 0.076 0.020 . 1 . . . . 66 ILE HD13 . 16389 1
781 . 1 1 66 66 ILE HG12 H 1 1.717 0.020 . 2 . . . . 66 ILE HG12 . 16389 1
782 . 1 1 66 66 ILE HG13 H 1 1.417 0.020 . 2 . . . . 66 ILE HG13 . 16389 1
783 . 1 1 66 66 ILE HG21 H 1 0.799 0.020 . 1 . . . . 66 ILE HG21 . 16389 1
784 . 1 1 66 66 ILE HG22 H 1 0.799 0.020 . 1 . . . . 66 ILE HG22 . 16389 1
785 . 1 1 66 66 ILE HG23 H 1 0.799 0.020 . 1 . . . . 66 ILE HG23 . 16389 1
786 . 1 1 66 66 ILE CA C 13 60.315 0.400 . 1 . . . . 66 ILE CA . 16389 1
787 . 1 1 66 66 ILE CB C 13 41.538 0.400 . 1 . . . . 66 ILE CB . 16389 1
788 . 1 1 66 66 ILE CD1 C 13 13.488 0.400 . 1 . . . . 66 ILE CD1 . 16389 1
789 . 1 1 66 66 ILE CG1 C 13 29.332 0.400 . 1 . . . . 66 ILE CG1 . 16389 1
790 . 1 1 66 66 ILE CG2 C 13 15.495 0.400 . 1 . . . . 66 ILE CG2 . 16389 1
791 . 1 1 66 66 ILE N N 15 122.263 0.400 . 1 . . . . 66 ILE N . 16389 1
792 . 1 1 67 67 SER H H 1 10.570 0.020 . 1 . . . . 67 SER H . 16389 1
793 . 1 1 67 67 SER HA H 1 4.388 0.020 . 1 . . . . 67 SER HA . 16389 1
794 . 1 1 67 67 SER HB2 H 1 3.911 0.020 . 2 . . . . 67 SER HB2 . 16389 1
795 . 1 1 67 67 SER HB3 H 1 4.302 0.020 . 2 . . . . 67 SER HB3 . 16389 1
796 . 1 1 67 67 SER CA C 13 58.346 0.400 . 1 . . . . 67 SER CA . 16389 1
797 . 1 1 67 67 SER CB C 13 65.507 0.400 . 1 . . . . 67 SER CB . 16389 1
798 . 1 1 67 67 SER N N 15 126.043 0.400 . 1 . . . . 67 SER N . 16389 1
799 . 1 1 68 68 GLU H H 1 8.952 0.020 . 1 . . . . 68 GLU H . 16389 1
800 . 1 1 68 68 GLU HA H 1 3.920 0.020 . 1 . . . . 68 GLU HA . 16389 1
801 . 1 1 68 68 GLU HB2 H 1 2.075 0.020 . 2 . . . . 68 GLU HB2 . 16389 1
802 . 1 1 68 68 GLU HB3 H 1 1.984 0.020 . 2 . . . . 68 GLU HB3 . 16389 1
803 . 1 1 68 68 GLU HG2 H 1 2.174 0.020 . 2 . . . . 68 GLU HG2 . 16389 1
804 . 1 1 68 68 GLU HG3 H 1 2.295 0.020 . 2 . . . . 68 GLU HG3 . 16389 1
805 . 1 1 68 68 GLU CA C 13 60.501 0.400 . 1 . . . . 68 GLU CA . 16389 1
806 . 1 1 68 68 GLU CB C 13 29.734 0.400 . 1 . . . . 68 GLU CB . 16389 1
807 . 1 1 68 68 GLU CG C 13 36.549 0.400 . 1 . . . . 68 GLU CG . 16389 1
808 . 1 1 68 68 GLU N N 15 122.929 0.400 . 1 . . . . 68 GLU N . 16389 1
809 . 1 1 69 69 GLU H H 1 8.552 0.020 . 1 . . . . 69 GLU H . 16389 1
810 . 1 1 69 69 GLU HA H 1 3.920 0.020 . 1 . . . . 69 GLU HA . 16389 1
811 . 1 1 69 69 GLU HB2 H 1 2.011 0.020 . 2 . . . . 69 GLU HB2 . 16389 1
812 . 1 1 69 69 GLU HB3 H 1 1.811 0.020 . 2 . . . . 69 GLU HB3 . 16389 1
813 . 1 1 69 69 GLU HG2 H 1 2.282 0.020 . 2 . . . . 69 GLU HG2 . 16389 1
814 . 1 1 69 69 GLU HG3 H 1 2.164 0.020 . 2 . . . . 69 GLU HG3 . 16389 1
815 . 1 1 69 69 GLU CA C 13 59.997 0.400 . 1 . . . . 69 GLU CA . 16389 1
816 . 1 1 69 69 GLU CB C 13 29.875 0.400 . 1 . . . . 69 GLU CB . 16389 1
817 . 1 1 69 69 GLU CG C 13 36.600 0.400 . 1 . . . . 69 GLU CG . 16389 1
818 . 1 1 69 69 GLU N N 15 117.473 0.400 . 1 . . . . 69 GLU N . 16389 1
819 . 1 1 70 70 ASN H H 1 7.684 0.020 . 1 . . . . 70 ASN H . 16389 1
820 . 1 1 70 70 ASN HA H 1 4.677 0.020 . 1 . . . . 70 ASN HA . 16389 1
821 . 1 1 70 70 ASN HB2 H 1 2.841 0.020 . 2 . . . . 70 ASN HB2 . 16389 1
822 . 1 1 70 70 ASN HB3 H 1 2.175 0.020 . 2 . . . . 70 ASN HB3 . 16389 1
823 . 1 1 70 70 ASN HD21 H 1 10.058 0.020 . 2 . . . . 70 ASN HD21 . 16389 1
824 . 1 1 70 70 ASN HD22 H 1 7.531 0.020 . 2 . . . . 70 ASN HD22 . 16389 1
825 . 1 1 70 70 ASN CA C 13 55.690 0.400 . 1 . . . . 70 ASN CA . 16389 1
826 . 1 1 70 70 ASN CB C 13 37.788 0.400 . 1 . . . . 70 ASN CB . 16389 1
827 . 1 1 70 70 ASN N N 15 116.860 0.400 . 1 . . . . 70 ASN N . 16389 1
828 . 1 1 70 70 ASN ND2 N 15 118.137 0.400 . 1 . . . . 70 ASN ND2 . 16389 1
829 . 1 1 71 71 TYR H H 1 9.219 0.020 . 1 . . . . 71 TYR H . 16389 1
830 . 1 1 71 71 TYR HA H 1 3.631 0.020 . 1 . . . . 71 TYR HA . 16389 1
831 . 1 1 71 71 TYR HB2 H 1 2.866 0.020 . 2 . . . . 71 TYR HB2 . 16389 1
832 . 1 1 71 71 TYR HB3 H 1 3.101 0.020 . 2 . . . . 71 TYR HB3 . 16389 1
833 . 1 1 71 71 TYR HD1 H 1 6.715 0.020 . 1 . . . . 71 TYR HD1 . 16389 1
834 . 1 1 71 71 TYR HD2 H 1 6.715 0.020 . 1 . . . . 71 TYR HD2 . 16389 1
835 . 1 1 71 71 TYR HE1 H 1 6.688 0.020 . 1 . . . . 71 TYR HE1 . 16389 1
836 . 1 1 71 71 TYR HE2 H 1 6.688 0.020 . 1 . . . . 71 TYR HE2 . 16389 1
837 . 1 1 71 71 TYR CA C 13 63.266 0.400 . 1 . . . . 71 TYR CA . 16389 1
838 . 1 1 71 71 TYR CB C 13 38.882 0.400 . 1 . . . . 71 TYR CB . 16389 1
839 . 1 1 71 71 TYR CD1 C 13 132.500 0.400 . 1 . . . . 71 TYR CD1 . 16389 1
840 . 1 1 71 71 TYR CE1 C 13 118.853 0.400 . 1 . . . . 71 TYR CE1 . 16389 1
841 . 1 1 71 71 TYR N N 15 123.698 0.400 . 1 . . . . 71 TYR N . 16389 1
842 . 1 1 72 72 LYS H H 1 8.497 0.020 . 1 . . . . 72 LYS H . 16389 1
843 . 1 1 72 72 LYS HA H 1 3.745 0.020 . 1 . . . . 72 LYS HA . 16389 1
844 . 1 1 72 72 LYS HB2 H 1 1.797 0.020 . 2 . . . . 72 LYS HB2 . 16389 1
845 . 1 1 72 72 LYS HB3 H 1 1.867 0.020 . 2 . . . . 72 LYS HB3 . 16389 1
846 . 1 1 72 72 LYS HD2 H 1 1.653 0.020 . 1 . . . . 72 LYS HD2 . 16389 1
847 . 1 1 72 72 LYS HD3 H 1 1.653 0.020 . 1 . . . . 72 LYS HD3 . 16389 1
848 . 1 1 72 72 LYS HE2 H 1 2.923 0.020 . 1 . . . . 72 LYS HE2 . 16389 1
849 . 1 1 72 72 LYS HE3 H 1 2.923 0.020 . 1 . . . . 72 LYS HE3 . 16389 1
850 . 1 1 72 72 LYS HG2 H 1 1.709 0.020 . 2 . . . . 72 LYS HG2 . 16389 1
851 . 1 1 72 72 LYS HG3 H 1 1.473 0.020 . 2 . . . . 72 LYS HG3 . 16389 1
852 . 1 1 72 72 LYS CA C 13 59.840 0.400 . 1 . . . . 72 LYS CA . 16389 1
853 . 1 1 72 72 LYS CB C 13 32.760 0.400 . 1 . . . . 72 LYS CB . 16389 1
854 . 1 1 72 72 LYS CD C 13 29.448 0.400 . 1 . . . . 72 LYS CD . 16389 1
855 . 1 1 72 72 LYS CE C 13 42.457 0.400 . 1 . . . . 72 LYS CE . 16389 1
856 . 1 1 72 72 LYS CG C 13 26.288 0.400 . 1 . . . . 72 LYS CG . 16389 1
857 . 1 1 72 72 LYS N N 15 119.540 0.400 . 1 . . . . 72 LYS N . 16389 1
858 . 1 1 73 73 LYS H H 1 7.268 0.020 . 1 . . . . 73 LYS H . 16389 1
859 . 1 1 73 73 LYS HA H 1 3.878 0.020 . 1 . . . . 73 LYS HA . 16389 1
860 . 1 1 73 73 LYS HB2 H 1 1.613 0.020 . 2 . . . . 73 LYS HB2 . 16389 1
861 . 1 1 73 73 LYS HB3 H 1 1.412 0.020 . 2 . . . . 73 LYS HB3 . 16389 1
862 . 1 1 73 73 LYS HD2 H 1 1.533 0.020 . 2 . . . . 73 LYS HD2 . 16389 1
863 . 1 1 73 73 LYS HD3 H 1 1.408 0.020 . 2 . . . . 73 LYS HD3 . 16389 1
864 . 1 1 73 73 LYS HE2 H 1 2.759 0.020 . 2 . . . . 73 LYS HE2 . 16389 1
865 . 1 1 73 73 LYS HE3 H 1 2.914 0.020 . 2 . . . . 73 LYS HE3 . 16389 1
866 . 1 1 73 73 LYS HG2 H 1 1.178 0.020 . 2 . . . . 73 LYS HG2 . 16389 1
867 . 1 1 73 73 LYS HG3 H 1 0.757 0.020 . 2 . . . . 73 LYS HG3 . 16389 1
868 . 1 1 73 73 LYS CA C 13 59.000 0.400 . 1 . . . . 73 LYS CA . 16389 1
869 . 1 1 73 73 LYS CB C 13 33.460 0.400 . 1 . . . . 73 LYS CB . 16389 1
870 . 1 1 73 73 LYS CD C 13 29.842 0.400 . 1 . . . . 73 LYS CD . 16389 1
871 . 1 1 73 73 LYS CE C 13 42.121 0.400 . 1 . . . . 73 LYS CE . 16389 1
872 . 1 1 73 73 LYS CG C 13 24.880 0.400 . 1 . . . . 73 LYS CG . 16389 1
873 . 1 1 73 73 LYS N N 15 117.250 0.400 . 1 . . . . 73 LYS N . 16389 1
874 . 1 1 74 74 PHE H H 1 7.855 0.020 . 1 . . . . 74 PHE H . 16389 1
875 . 1 1 74 74 PHE HA H 1 4.345 0.020 . 1 . . . . 74 PHE HA . 16389 1
876 . 1 1 74 74 PHE HB2 H 1 2.784 0.020 . 2 . . . . 74 PHE HB2 . 16389 1
877 . 1 1 74 74 PHE HB3 H 1 2.443 0.020 . 2 . . . . 74 PHE HB3 . 16389 1
878 . 1 1 74 74 PHE HD1 H 1 7.026 0.020 . 1 . . . . 74 PHE HD1 . 16389 1
879 . 1 1 74 74 PHE HD2 H 1 7.026 0.020 . 1 . . . . 74 PHE HD2 . 16389 1
880 . 1 1 74 74 PHE HE1 H 1 7.050 0.020 . 1 . . . . 74 PHE HE1 . 16389 1
881 . 1 1 74 74 PHE HE2 H 1 7.050 0.020 . 1 . . . . 74 PHE HE2 . 16389 1
882 . 1 1 74 74 PHE HZ H 1 7.099 0.020 . 1 . . . . 74 PHE HZ . 16389 1
883 . 1 1 74 74 PHE CA C 13 60.326 0.400 . 1 . . . . 74 PHE CA . 16389 1
884 . 1 1 74 74 PHE CB C 13 39.840 0.400 . 1 . . . . 74 PHE CB . 16389 1
885 . 1 1 74 74 PHE CD1 C 13 131.109 0.400 . 1 . . . . 74 PHE CD1 . 16389 1
886 . 1 1 74 74 PHE CE1 C 13 131.068 0.400 . 1 . . . . 74 PHE CE1 . 16389 1
887 . 1 1 74 74 PHE CZ C 13 129.024 0.400 . 1 . . . . 74 PHE CZ . 16389 1
888 . 1 1 74 74 PHE N N 15 114.327 0.400 . 1 . . . . 74 PHE N . 16389 1
889 . 1 1 75 75 SER H H 1 8.009 0.020 . 1 . . . . 75 SER H . 16389 1
890 . 1 1 75 75 SER HA H 1 4.470 0.020 . 1 . . . . 75 SER HA . 16389 1
891 . 1 1 75 75 SER HB2 H 1 3.608 0.020 . 2 . . . . 75 SER HB2 . 16389 1
892 . 1 1 75 75 SER HB3 H 1 3.003 0.020 . 2 . . . . 75 SER HB3 . 16389 1
893 . 1 1 75 75 SER CA C 13 61.010 0.400 . 1 . . . . 75 SER CA . 16389 1
894 . 1 1 75 75 SER CB C 13 63.280 0.400 . 1 . . . . 75 SER CB . 16389 1
895 . 1 1 75 75 SER N N 15 113.220 0.400 . 1 . . . . 75 SER N . 16389 1
896 . 1 1 76 76 LYS H H 1 7.313 0.020 . 1 . . . . 76 LYS H . 16389 1
897 . 1 1 76 76 LYS HA H 1 4.060 0.020 . 1 . . . . 76 LYS HA . 16389 1
898 . 1 1 76 76 LYS HB2 H 1 1.797 0.020 . 1 . . . . 76 LYS HB2 . 16389 1
899 . 1 1 76 76 LYS HB3 H 1 1.797 0.020 . 1 . . . . 76 LYS HB3 . 16389 1
900 . 1 1 76 76 LYS HD2 H 1 1.644 0.020 . 1 . . . . 76 LYS HD2 . 16389 1
901 . 1 1 76 76 LYS HD3 H 1 1.644 0.020 . 1 . . . . 76 LYS HD3 . 16389 1
902 . 1 1 76 76 LYS HE2 H 1 2.970 0.020 . 1 . . . . 76 LYS HE2 . 16389 1
903 . 1 1 76 76 LYS HE3 H 1 2.970 0.020 . 1 . . . . 76 LYS HE3 . 16389 1
904 . 1 1 76 76 LYS HG2 H 1 1.478 0.020 . 2 . . . . 76 LYS HG2 . 16389 1
905 . 1 1 76 76 LYS HG3 H 1 1.388 0.020 . 2 . . . . 76 LYS HG3 . 16389 1
906 . 1 1 76 76 LYS CA C 13 58.580 0.400 . 1 . . . . 76 LYS CA . 16389 1
907 . 1 1 76 76 LYS CB C 13 32.200 0.400 . 1 . . . . 76 LYS CB . 16389 1
908 . 1 1 76 76 LYS CD C 13 29.448 0.400 . 1 . . . . 76 LYS CD . 16389 1
909 . 1 1 76 76 LYS CE C 13 42.418 0.400 . 1 . . . . 76 LYS CE . 16389 1
910 . 1 1 76 76 LYS CG C 13 25.218 0.400 . 1 . . . . 76 LYS CG . 16389 1
911 . 1 1 76 76 LYS N N 15 119.730 0.400 . 1 . . . . 76 LYS N . 16389 1
912 . 1 1 77 77 LYS H H 1 7.630 0.020 . 1 . . . . 77 LYS H . 16389 1
913 . 1 1 77 77 LYS HA H 1 4.493 0.020 . 1 . . . . 77 LYS HA . 16389 1
914 . 1 1 77 77 LYS HB2 H 1 1.706 0.020 . 2 . . . . 77 LYS HB2 . 16389 1
915 . 1 1 77 77 LYS HB3 H 1 1.944 0.020 . 2 . . . . 77 LYS HB3 . 16389 1
916 . 1 1 77 77 LYS HD2 H 1 1.665 0.020 . 1 . . . . 77 LYS HD2 . 16389 1
917 . 1 1 77 77 LYS HD3 H 1 1.665 0.020 . 1 . . . . 77 LYS HD3 . 16389 1
918 . 1 1 77 77 LYS HE2 H 1 2.957 0.020 . 1 . . . . 77 LYS HE2 . 16389 1
919 . 1 1 77 77 LYS HE3 H 1 2.957 0.020 . 1 . . . . 77 LYS HE3 . 16389 1
920 . 1 1 77 77 LYS HG2 H 1 1.392 0.020 . 2 . . . . 77 LYS HG2 . 16389 1
921 . 1 1 77 77 LYS HG3 H 1 1.350 0.020 . 2 . . . . 77 LYS HG3 . 16389 1
922 . 1 1 77 77 LYS CA C 13 56.432 0.400 . 1 . . . . 77 LYS CA . 16389 1
923 . 1 1 77 77 LYS CB C 13 35.570 0.400 . 1 . . . . 77 LYS CB . 16389 1
924 . 1 1 77 77 LYS CD C 13 29.120 0.400 . 1 . . . . 77 LYS CD . 16389 1
925 . 1 1 77 77 LYS CE C 13 42.418 0.400 . 1 . . . . 77 LYS CE . 16389 1
926 . 1 1 77 77 LYS CG C 13 25.217 0.400 . 1 . . . . 77 LYS CG . 16389 1
927 . 1 1 77 77 LYS N N 15 114.926 0.400 . 1 . . . . 77 LYS N . 16389 1
928 . 1 1 78 78 ILE H H 1 7.840 0.020 . 1 . . . . 78 ILE H . 16389 1
929 . 1 1 78 78 ILE HA H 1 4.050 0.020 . 1 . . . . 78 ILE HA . 16389 1
930 . 1 1 78 78 ILE HB H 1 1.534 0.020 . 1 . . . . 78 ILE HB . 16389 1
931 . 1 1 78 78 ILE HD11 H 1 0.603 0.020 . 1 . . . . 78 ILE HD11 . 16389 1
932 . 1 1 78 78 ILE HD12 H 1 0.603 0.020 . 1 . . . . 78 ILE HD12 . 16389 1
933 . 1 1 78 78 ILE HD13 H 1 0.603 0.020 . 1 . . . . 78 ILE HD13 . 16389 1
934 . 1 1 78 78 ILE HG12 H 1 1.397 0.020 . 2 . . . . 78 ILE HG12 . 16389 1
935 . 1 1 78 78 ILE HG13 H 1 0.997 0.020 . 2 . . . . 78 ILE HG13 . 16389 1
936 . 1 1 78 78 ILE HG21 H 1 0.496 0.020 . 1 . . . . 78 ILE HG21 . 16389 1
937 . 1 1 78 78 ILE HG22 H 1 0.496 0.020 . 1 . . . . 78 ILE HG22 . 16389 1
938 . 1 1 78 78 ILE HG23 H 1 0.496 0.020 . 1 . . . . 78 ILE HG23 . 16389 1
939 . 1 1 78 78 ILE CA C 13 61.124 0.400 . 1 . . . . 78 ILE CA . 16389 1
940 . 1 1 78 78 ILE CB C 13 41.460 0.400 . 1 . . . . 78 ILE CB . 16389 1
941 . 1 1 78 78 ILE CD1 C 13 14.605 0.400 . 1 . . . . 78 ILE CD1 . 16389 1
942 . 1 1 78 78 ILE CG1 C 13 27.477 0.400 . 1 . . . . 78 ILE CG1 . 16389 1
943 . 1 1 78 78 ILE CG2 C 13 17.935 0.400 . 1 . . . . 78 ILE CG2 . 16389 1
944 . 1 1 78 78 ILE N N 15 120.922 0.400 . 1 . . . . 78 ILE N . 16389 1
945 . 1 1 79 79 GLU H H 1 7.399 0.020 . 1 . . . . 79 GLU H . 16389 1
946 . 1 1 79 79 GLU HA H 1 4.283 0.020 . 1 . . . . 79 GLU HA . 16389 1
947 . 1 1 79 79 GLU HB2 H 1 1.802 0.020 . 2 . . . . 79 GLU HB2 . 16389 1
948 . 1 1 79 79 GLU HB3 H 1 2.168 0.020 . 2 . . . . 79 GLU HB3 . 16389 1
949 . 1 1 79 79 GLU HG2 H 1 2.208 0.020 . 2 . . . . 79 GLU HG2 . 16389 1
950 . 1 1 79 79 GLU HG3 H 1 2.475 0.020 . 2 . . . . 79 GLU HG3 . 16389 1
951 . 1 1 79 79 GLU CA C 13 56.446 0.400 . 1 . . . . 79 GLU CA . 16389 1
952 . 1 1 79 79 GLU CB C 13 32.987 0.400 . 1 . . . . 79 GLU CB . 16389 1
953 . 1 1 79 79 GLU CG C 13 37.106 0.400 . 1 . . . . 79 GLU CG . 16389 1
954 . 1 1 79 79 GLU N N 15 123.733 0.400 . 1 . . . . 79 GLU N . 16389 1
955 . 1 1 80 80 ILE H H 1 8.476 0.020 . 1 . . . . 80 ILE H . 16389 1
956 . 1 1 80 80 ILE HA H 1 4.609 0.020 . 1 . . . . 80 ILE HA . 16389 1
957 . 1 1 80 80 ILE HB H 1 1.733 0.020 . 1 . . . . 80 ILE HB . 16389 1
958 . 1 1 80 80 ILE HD11 H 1 0.419 0.020 . 1 . . . . 80 ILE HD11 . 16389 1
959 . 1 1 80 80 ILE HD12 H 1 0.419 0.020 . 1 . . . . 80 ILE HD12 . 16389 1
960 . 1 1 80 80 ILE HD13 H 1 0.419 0.020 . 1 . . . . 80 ILE HD13 . 16389 1
961 . 1 1 80 80 ILE HG12 H 1 1.399 0.020 . 2 . . . . 80 ILE HG12 . 16389 1
962 . 1 1 80 80 ILE HG13 H 1 0.676 0.020 . 2 . . . . 80 ILE HG13 . 16389 1
963 . 1 1 80 80 ILE HG21 H 1 0.669 0.020 . 1 . . . . 80 ILE HG21 . 16389 1
964 . 1 1 80 80 ILE HG22 H 1 0.669 0.020 . 1 . . . . 80 ILE HG22 . 16389 1
965 . 1 1 80 80 ILE HG23 H 1 0.669 0.020 . 1 . . . . 80 ILE HG23 . 16389 1
966 . 1 1 80 80 ILE CA C 13 60.890 0.400 . 1 . . . . 80 ILE CA . 16389 1
967 . 1 1 80 80 ILE CB C 13 38.492 0.400 . 1 . . . . 80 ILE CB . 16389 1
968 . 1 1 80 80 ILE CD1 C 13 13.867 0.400 . 1 . . . . 80 ILE CD1 . 16389 1
969 . 1 1 80 80 ILE CG1 C 13 27.694 0.400 . 1 . . . . 80 ILE CG1 . 16389 1
970 . 1 1 80 80 ILE CG2 C 13 19.333 0.400 . 1 . . . . 80 ILE CG2 . 16389 1
971 . 1 1 80 80 ILE N N 15 123.480 0.400 . 1 . . . . 80 ILE N . 16389 1
972 . 1 1 81 81 TYR H H 1 9.545 0.020 . 1 . . . . 81 TYR H . 16389 1
973 . 1 1 81 81 TYR HA H 1 4.825 0.020 . 1 . . . . 81 TYR HA . 16389 1
974 . 1 1 81 81 TYR HB2 H 1 2.808 0.020 . 2 . . . . 81 TYR HB2 . 16389 1
975 . 1 1 81 81 TYR HB3 H 1 2.745 0.020 . 2 . . . . 81 TYR HB3 . 16389 1
976 . 1 1 81 81 TYR HD1 H 1 6.858 0.020 . 1 . . . . 81 TYR HD1 . 16389 1
977 . 1 1 81 81 TYR HD2 H 1 6.858 0.020 . 1 . . . . 81 TYR HD2 . 16389 1
978 . 1 1 81 81 TYR HE1 H 1 6.796 0.020 . 1 . . . . 81 TYR HE1 . 16389 1
979 . 1 1 81 81 TYR HE2 H 1 6.796 0.020 . 1 . . . . 81 TYR HE2 . 16389 1
980 . 1 1 81 81 TYR CA C 13 58.140 0.400 . 1 . . . . 81 TYR CA . 16389 1
981 . 1 1 81 81 TYR CB C 13 42.180 0.400 . 1 . . . . 81 TYR CB . 16389 1
982 . 1 1 81 81 TYR CD1 C 13 133.125 0.400 . 1 . . . . 81 TYR CD1 . 16389 1
983 . 1 1 81 81 TYR CE1 C 13 118.729 0.400 . 1 . . . . 81 TYR CE1 . 16389 1
984 . 1 1 81 81 TYR N N 15 126.332 0.400 . 1 . . . . 81 TYR N . 16389 1
985 . 1 1 82 82 HIS H H 1 8.925 0.020 . 1 . . . . 82 HIS H . 16389 1
986 . 1 1 82 82 HIS HA H 1 5.172 0.020 . 1 . . . . 82 HIS HA . 16389 1
987 . 1 1 82 82 HIS HB2 H 1 2.836 0.020 . 2 . . . . 82 HIS HB2 . 16389 1
988 . 1 1 82 82 HIS HB3 H 1 3.287 0.020 . 2 . . . . 82 HIS HB3 . 16389 1
989 . 1 1 82 82 HIS HD2 H 1 7.360 0.020 . 1 . . . . 82 HIS HD2 . 16389 1
990 . 1 1 82 82 HIS HE1 H 1 8.537 0.020 . 1 . . . . 82 HIS HE1 . 16389 1
991 . 1 1 82 82 HIS CA C 13 54.575 0.400 . 1 . . . . 82 HIS CA . 16389 1
992 . 1 1 82 82 HIS CB C 13 30.002 0.400 . 1 . . . . 82 HIS CB . 16389 1
993 . 1 1 82 82 HIS CD2 C 13 120.766 0.400 . 1 . . . . 82 HIS CD2 . 16389 1
994 . 1 1 82 82 HIS CE1 C 13 136.746 0.400 . 1 . . . . 82 HIS CE1 . 16389 1
995 . 1 1 82 82 HIS N N 15 119.500 0.400 . 1 . . . . 82 HIS N . 16389 1
996 . 1 1 83 83 ALA H H 1 7.826 0.020 . 1 . . . . 83 ALA H . 16389 1
997 . 1 1 83 83 ALA HA H 1 4.103 0.020 . 1 . . . . 83 ALA HA . 16389 1
998 . 1 1 83 83 ALA HB1 H 1 0.916 0.020 . 1 . . . . 83 ALA HB1 . 16389 1
999 . 1 1 83 83 ALA HB2 H 1 0.916 0.020 . 1 . . . . 83 ALA HB2 . 16389 1
1000 . 1 1 83 83 ALA HB3 H 1 0.916 0.020 . 1 . . . . 83 ALA HB3 . 16389 1
1001 . 1 1 83 83 ALA CA C 13 52.204 0.400 . 1 . . . . 83 ALA CA . 16389 1
1002 . 1 1 83 83 ALA CB C 13 20.045 0.400 . 1 . . . . 83 ALA CB . 16389 1
1003 . 1 1 83 83 ALA N N 15 129.263 0.400 . 1 . . . . 83 ALA N . 16389 1
1004 . 1 1 84 84 GLU H H 1 9.505 0.020 . 1 . . . . 84 GLU H . 16389 1
1005 . 1 1 84 84 GLU HA H 1 4.436 0.020 . 1 . . . . 84 GLU HA . 16389 1
1006 . 1 1 84 84 GLU HB2 H 1 1.811 0.020 . 2 . . . . 84 GLU HB2 . 16389 1
1007 . 1 1 84 84 GLU HB3 H 1 1.619 0.020 . 2 . . . . 84 GLU HB3 . 16389 1
1008 . 1 1 84 84 GLU HG2 H 1 2.142 0.020 . 2 . . . . 84 GLU HG2 . 16389 1
1009 . 1 1 84 84 GLU HG3 H 1 2.191 0.020 . 2 . . . . 84 GLU HG3 . 16389 1
1010 . 1 1 84 84 GLU CA C 13 54.453 0.400 . 1 . . . . 84 GLU CA . 16389 1
1011 . 1 1 84 84 GLU CB C 13 30.069 0.400 . 1 . . . . 84 GLU CB . 16389 1
1012 . 1 1 84 84 GLU CG C 13 35.573 0.400 . 1 . . . . 84 GLU CG . 16389 1
1013 . 1 1 84 84 GLU N N 15 123.774 0.400 . 1 . . . . 84 GLU N . 16389 1
1014 . 1 1 85 85 GLY H H 1 8.259 0.020 . 1 . . . . 85 GLY H . 16389 1
1015 . 1 1 85 85 GLY HA2 H 1 4.041 0.020 . 2 . . . . 85 GLY HA2 . 16389 1
1016 . 1 1 85 85 GLY HA3 H 1 3.620 0.020 . 2 . . . . 85 GLY HA3 . 16389 1
1017 . 1 1 85 85 GLY CA C 13 45.638 0.400 . 1 . . . . 85 GLY CA . 16389 1
1018 . 1 1 85 85 GLY N N 15 114.727 0.400 . 1 . . . . 85 GLY N . 16389 1
1019 . 1 1 86 86 ASP H H 1 7.771 0.020 . 1 . . . . 86 ASP H . 16389 1
1020 . 1 1 86 86 ASP HA H 1 4.562 0.020 . 1 . . . . 86 ASP HA . 16389 1
1021 . 1 1 86 86 ASP HB2 H 1 2.771 0.020 . 2 . . . . 86 ASP HB2 . 16389 1
1022 . 1 1 86 86 ASP HB3 H 1 2.514 0.020 . 2 . . . . 86 ASP HB3 . 16389 1
1023 . 1 1 86 86 ASP CA C 13 54.090 0.400 . 1 . . . . 86 ASP CA . 16389 1
1024 . 1 1 86 86 ASP CB C 13 42.920 0.400 . 1 . . . . 86 ASP CB . 16389 1
1025 . 1 1 86 86 ASP N N 15 115.615 0.400 . 1 . . . . 86 ASP N . 16389 1
1026 . 1 1 87 87 ASP H H 1 8.030 0.020 . 1 . . . . 87 ASP H . 16389 1
1027 . 1 1 87 87 ASP HA H 1 4.838 0.020 . 1 . . . . 87 ASP HA . 16389 1
1028 . 1 1 87 87 ASP HB2 H 1 2.976 0.020 . 2 . . . . 87 ASP HB2 . 16389 1
1029 . 1 1 87 87 ASP HB3 H 1 2.563 0.020 . 2 . . . . 87 ASP HB3 . 16389 1
1030 . 1 1 87 87 ASP CA C 13 54.369 0.400 . 1 . . . . 87 ASP CA . 16389 1
1031 . 1 1 87 87 ASP CB C 13 43.210 0.400 . 1 . . . . 87 ASP CB . 16389 1
1032 . 1 1 87 87 ASP N N 15 119.330 0.400 . 1 . . . . 87 ASP N . 16389 1
1033 . 1 1 88 88 VAL H H 1 9.182 0.020 . 1 . . . . 88 VAL H . 16389 1
1034 . 1 1 88 88 VAL HA H 1 3.555 0.020 . 1 . . . . 88 VAL HA . 16389 1
1035 . 1 1 88 88 VAL HB H 1 1.927 0.020 . 1 . . . . 88 VAL HB . 16389 1
1036 . 1 1 88 88 VAL HG11 H 1 0.869 0.020 . 2 . . . . 88 VAL HG11 . 16389 1
1037 . 1 1 88 88 VAL HG12 H 1 0.869 0.020 . 2 . . . . 88 VAL HG12 . 16389 1
1038 . 1 1 88 88 VAL HG13 H 1 0.869 0.020 . 2 . . . . 88 VAL HG13 . 16389 1
1039 . 1 1 88 88 VAL HG21 H 1 0.972 0.020 . 2 . . . . 88 VAL HG21 . 16389 1
1040 . 1 1 88 88 VAL HG22 H 1 0.972 0.020 . 2 . . . . 88 VAL HG22 . 16389 1
1041 . 1 1 88 88 VAL HG23 H 1 0.972 0.020 . 2 . . . . 88 VAL HG23 . 16389 1
1042 . 1 1 88 88 VAL CA C 13 67.541 0.400 . 1 . . . . 88 VAL CA . 16389 1
1043 . 1 1 88 88 VAL CB C 13 32.357 0.400 . 1 . . . . 88 VAL CB . 16389 1
1044 . 1 1 88 88 VAL CG1 C 13 20.238 0.400 . 1 . . . . 88 VAL CG1 . 16389 1
1045 . 1 1 88 88 VAL CG2 C 13 24.586 0.400 . 1 . . . . 88 VAL CG2 . 16389 1
1046 . 1 1 88 88 VAL N N 15 131.010 0.400 . 1 . . . . 88 VAL N . 16389 1
1047 . 1 1 89 89 ASP H H 1 7.896 0.020 . 1 . . . . 89 ASP H . 16389 1
1048 . 1 1 89 89 ASP HA H 1 4.256 0.020 . 1 . . . . 89 ASP HA . 16389 1
1049 . 1 1 89 89 ASP HB2 H 1 2.601 0.020 . 2 . . . . 89 ASP HB2 . 16389 1
1050 . 1 1 89 89 ASP HB3 H 1 2.703 0.020 . 2 . . . . 89 ASP HB3 . 16389 1
1051 . 1 1 89 89 ASP CA C 13 58.417 0.400 . 1 . . . . 89 ASP CA . 16389 1
1052 . 1 1 89 89 ASP CB C 13 40.511 0.400 . 1 . . . . 89 ASP CB . 16389 1
1053 . 1 1 89 89 ASP N N 15 121.837 0.400 . 1 . . . . 89 ASP N . 16389 1
1054 . 1 1 90 90 LYS H H 1 8.435 0.020 . 1 . . . . 90 LYS H . 16389 1
1055 . 1 1 90 90 LYS HA H 1 4.038 0.020 . 1 . . . . 90 LYS HA . 16389 1
1056 . 1 1 90 90 LYS HB2 H 1 1.864 0.020 . 1 . . . . 90 LYS HB2 . 16389 1
1057 . 1 1 90 90 LYS HB3 H 1 1.864 0.020 . 1 . . . . 90 LYS HB3 . 16389 1
1058 . 1 1 90 90 LYS HD2 H 1 1.688 0.020 . 1 . . . . 90 LYS HD2 . 16389 1
1059 . 1 1 90 90 LYS HD3 H 1 1.688 0.020 . 1 . . . . 90 LYS HD3 . 16389 1
1060 . 1 1 90 90 LYS HE2 H 1 2.919 0.020 . 1 . . . . 90 LYS HE2 . 16389 1
1061 . 1 1 90 90 LYS HE3 H 1 2.919 0.020 . 1 . . . . 90 LYS HE3 . 16389 1
1062 . 1 1 90 90 LYS HG2 H 1 1.395 0.020 . 1 . . . . 90 LYS HG2 . 16389 1
1063 . 1 1 90 90 LYS HG3 H 1 1.395 0.020 . 1 . . . . 90 LYS HG3 . 16389 1
1064 . 1 1 90 90 LYS CA C 13 58.806 0.400 . 1 . . . . 90 LYS CA . 16389 1
1065 . 1 1 90 90 LYS CB C 13 32.456 0.400 . 1 . . . . 90 LYS CB . 16389 1
1066 . 1 1 90 90 LYS CD C 13 29.004 0.400 . 1 . . . . 90 LYS CD . 16389 1
1067 . 1 1 90 90 LYS CE C 13 42.464 0.400 . 1 . . . . 90 LYS CE . 16389 1
1068 . 1 1 90 90 LYS CG C 13 25.009 0.400 . 1 . . . . 90 LYS CG . 16389 1
1069 . 1 1 90 90 LYS N N 15 121.099 0.400 . 1 . . . . 90 LYS N . 16389 1
1070 . 1 1 91 91 ASN H H 1 7.758 0.020 . 1 . . . . 91 ASN H . 16389 1
1071 . 1 1 91 91 ASN HA H 1 4.285 0.020 . 1 . . . . 91 ASN HA . 16389 1
1072 . 1 1 91 91 ASN HB2 H 1 2.109 0.020 . 2 . . . . 91 ASN HB2 . 16389 1
1073 . 1 1 91 91 ASN HB3 H 1 2.706 0.020 . 2 . . . . 91 ASN HB3 . 16389 1
1074 . 1 1 91 91 ASN HD21 H 1 7.403 0.020 . 2 . . . . 91 ASN HD21 . 16389 1
1075 . 1 1 91 91 ASN HD22 H 1 6.586 0.020 . 2 . . . . 91 ASN HD22 . 16389 1
1076 . 1 1 91 91 ASN CA C 13 59.160 0.400 . 1 . . . . 91 ASN CA . 16389 1
1077 . 1 1 91 91 ASN CB C 13 40.523 0.400 . 1 . . . . 91 ASN CB . 16389 1
1078 . 1 1 91 91 ASN N N 15 117.112 0.400 . 1 . . . . 91 ASN N . 16389 1
1079 . 1 1 91 91 ASN ND2 N 15 110.428 0.400 . 1 . . . . 91 ASN ND2 . 16389 1
1080 . 1 1 92 92 ILE H H 1 8.490 0.020 . 1 . . . . 92 ILE H . 16389 1
1081 . 1 1 92 92 ILE HA H 1 3.460 0.020 . 1 . . . . 92 ILE HA . 16389 1
1082 . 1 1 92 92 ILE HB H 1 1.924 0.020 . 1 . . . . 92 ILE HB . 16389 1
1083 . 1 1 92 92 ILE HD11 H 1 0.683 0.020 . 1 . . . . 92 ILE HD11 . 16389 1
1084 . 1 1 92 92 ILE HD12 H 1 0.683 0.020 . 1 . . . . 92 ILE HD12 . 16389 1
1085 . 1 1 92 92 ILE HD13 H 1 0.683 0.020 . 1 . . . . 92 ILE HD13 . 16389 1
1086 . 1 1 92 92 ILE HG12 H 1 1.693 0.020 . 2 . . . . 92 ILE HG12 . 16389 1
1087 . 1 1 92 92 ILE HG13 H 1 0.650 0.020 . 2 . . . . 92 ILE HG13 . 16389 1
1088 . 1 1 92 92 ILE HG21 H 1 0.773 0.020 . 1 . . . . 92 ILE HG21 . 16389 1
1089 . 1 1 92 92 ILE HG22 H 1 0.773 0.020 . 1 . . . . 92 ILE HG22 . 16389 1
1090 . 1 1 92 92 ILE HG23 H 1 0.773 0.020 . 1 . . . . 92 ILE HG23 . 16389 1
1091 . 1 1 92 92 ILE CA C 13 66.230 0.400 . 1 . . . . 92 ILE CA . 16389 1
1092 . 1 1 92 92 ILE CB C 13 37.514 0.400 . 1 . . . . 92 ILE CB . 16389 1
1093 . 1 1 92 92 ILE CD1 C 13 13.740 0.400 . 1 . . . . 92 ILE CD1 . 16389 1
1094 . 1 1 92 92 ILE CG1 C 13 30.124 0.400 . 1 . . . . 92 ILE CG1 . 16389 1
1095 . 1 1 92 92 ILE CG2 C 13 17.773 0.400 . 1 . . . . 92 ILE CG2 . 16389 1
1096 . 1 1 92 92 ILE N N 15 120.534 0.400 . 1 . . . . 92 ILE N . 16389 1
1097 . 1 1 93 93 SER H H 1 7.713 0.020 . 1 . . . . 93 SER H . 16389 1
1098 . 1 1 93 93 SER HA H 1 3.952 0.020 . 1 . . . . 93 SER HA . 16389 1
1099 . 1 1 93 93 SER HB2 H 1 4.112 0.020 . 1 . . . . 93 SER HB2 . 16389 1
1100 . 1 1 93 93 SER HB3 H 1 4.112 0.020 . 1 . . . . 93 SER HB3 . 16389 1
1101 . 1 1 93 93 SER CA C 13 62.969 0.400 . 1 . . . . 93 SER CA . 16389 1
1102 . 1 1 93 93 SER CB C 13 62.864 0.400 . 1 . . . . 93 SER CB . 16389 1
1103 . 1 1 93 93 SER N N 15 114.902 0.400 . 1 . . . . 93 SER N . 16389 1
1104 . 1 1 94 94 LEU H H 1 8.383 0.020 . 1 . . . . 94 LEU H . 16389 1
1105 . 1 1 94 94 LEU HA H 1 3.924 0.020 . 1 . . . . 94 LEU HA . 16389 1
1106 . 1 1 94 94 LEU HB2 H 1 1.081 0.020 . 2 . . . . 94 LEU HB2 . 16389 1
1107 . 1 1 94 94 LEU HB3 H 1 1.881 0.020 . 2 . . . . 94 LEU HB3 . 16389 1
1108 . 1 1 94 94 LEU HD11 H 1 0.775 0.020 . 1 . . . . 94 LEU HD1 . 16389 1
1109 . 1 1 94 94 LEU HD12 H 1 0.775 0.020 . 1 . . . . 94 LEU HD1 . 16389 1
1110 . 1 1 94 94 LEU HD13 H 1 0.775 0.020 . 1 . . . . 94 LEU HD1 . 16389 1
1111 . 1 1 94 94 LEU HD21 H 1 0.775 0.020 . 1 . . . . 94 LEU HD2 . 16389 1
1112 . 1 1 94 94 LEU HD22 H 1 0.775 0.020 . 1 . . . . 94 LEU HD2 . 16389 1
1113 . 1 1 94 94 LEU HD23 H 1 0.775 0.020 . 1 . . . . 94 LEU HD2 . 16389 1
1114 . 1 1 94 94 LEU HG H 1 1.821 0.020 . 1 . . . . 94 LEU HG . 16389 1
1115 . 1 1 94 94 LEU CA C 13 58.203 0.400 . 1 . . . . 94 LEU CA . 16389 1
1116 . 1 1 94 94 LEU CB C 13 43.015 0.400 . 1 . . . . 94 LEU CB . 16389 1
1117 . 1 1 94 94 LEU CD1 C 13 22.896 0.400 . 1 . . . . 94 LEU CD1 . 16389 1
1118 . 1 1 94 94 LEU CG C 13 27.096 0.400 . 1 . . . . 94 LEU CG . 16389 1
1119 . 1 1 94 94 LEU N N 15 120.736 0.400 . 1 . . . . 94 LEU N . 16389 1
1120 . 1 1 95 95 PHE H H 1 8.438 0.020 . 1 . . . . 95 PHE H . 16389 1
1121 . 1 1 95 95 PHE HA H 1 3.883 0.020 . 1 . . . . 95 PHE HA . 16389 1
1122 . 1 1 95 95 PHE HB2 H 1 3.214 0.020 . 2 . . . . 95 PHE HB2 . 16389 1
1123 . 1 1 95 95 PHE HB3 H 1 3.018 0.020 . 2 . . . . 95 PHE HB3 . 16389 1
1124 . 1 1 95 95 PHE HD1 H 1 6.473 0.020 . 1 . . . . 95 PHE HD1 . 16389 1
1125 . 1 1 95 95 PHE HD2 H 1 6.473 0.020 . 1 . . . . 95 PHE HD2 . 16389 1
1126 . 1 1 95 95 PHE HE1 H 1 6.572 0.020 . 1 . . . . 95 PHE HE1 . 16389 1
1127 . 1 1 95 95 PHE HE2 H 1 6.572 0.020 . 1 . . . . 95 PHE HE2 . 16389 1
1128 . 1 1 95 95 PHE HZ H 1 6.880 0.020 . 1 . . . . 95 PHE HZ . 16389 1
1129 . 1 1 95 95 PHE CA C 13 61.490 0.400 . 1 . . . . 95 PHE CA . 16389 1
1130 . 1 1 95 95 PHE CB C 13 39.210 0.400 . 1 . . . . 95 PHE CB . 16389 1
1131 . 1 1 95 95 PHE CD1 C 13 130.752 0.400 . 1 . . . . 95 PHE CD1 . 16389 1
1132 . 1 1 95 95 PHE CE1 C 13 131.355 0.400 . 1 . . . . 95 PHE CE1 . 16389 1
1133 . 1 1 95 95 PHE CZ C 13 129.407 0.400 . 1 . . . . 95 PHE CZ . 16389 1
1134 . 1 1 95 95 PHE N N 15 121.040 0.400 . 1 . . . . 95 PHE N . 16389 1
1135 . 1 1 96 96 ILE H H 1 8.371 0.020 . 1 . . . . 96 ILE H . 16389 1
1136 . 1 1 96 96 ILE HA H 1 3.343 0.020 . 1 . . . . 96 ILE HA . 16389 1
1137 . 1 1 96 96 ILE HB H 1 1.921 0.020 . 1 . . . . 96 ILE HB . 16389 1
1138 . 1 1 96 96 ILE HD11 H 1 0.704 0.020 . 1 . . . . 96 ILE HD11 . 16389 1
1139 . 1 1 96 96 ILE HD12 H 1 0.704 0.020 . 1 . . . . 96 ILE HD12 . 16389 1
1140 . 1 1 96 96 ILE HD13 H 1 0.704 0.020 . 1 . . . . 96 ILE HD13 . 16389 1
1141 . 1 1 96 96 ILE HG12 H 1 1.970 0.020 . 2 . . . . 96 ILE HG12 . 16389 1
1142 . 1 1 96 96 ILE HG13 H 1 0.893 0.020 . 2 . . . . 96 ILE HG13 . 16389 1
1143 . 1 1 96 96 ILE HG21 H 1 0.774 0.020 . 1 . . . . 96 ILE HG21 . 16389 1
1144 . 1 1 96 96 ILE HG22 H 1 0.774 0.020 . 1 . . . . 96 ILE HG22 . 16389 1
1145 . 1 1 96 96 ILE HG23 H 1 0.774 0.020 . 1 . . . . 96 ILE HG23 . 16389 1
1146 . 1 1 96 96 ILE CA C 13 65.680 0.400 . 1 . . . . 96 ILE CA . 16389 1
1147 . 1 1 96 96 ILE CB C 13 38.550 0.400 . 1 . . . . 96 ILE CB . 16389 1
1148 . 1 1 96 96 ILE CD1 C 13 14.056 0.400 . 1 . . . . 96 ILE CD1 . 16389 1
1149 . 1 1 96 96 ILE CG1 C 13 31.031 0.400 . 1 . . . . 96 ILE CG1 . 16389 1
1150 . 1 1 96 96 ILE CG2 C 13 17.360 0.400 . 1 . . . . 96 ILE CG2 . 16389 1
1151 . 1 1 96 96 ILE N N 15 122.360 0.400 . 1 . . . . 96 ILE N . 16389 1
1152 . 1 1 97 97 GLU H H 1 7.601 0.020 . 1 . . . . 97 GLU H . 16389 1
1153 . 1 1 97 97 GLU HA H 1 4.099 0.020 . 1 . . . . 97 GLU HA . 16389 1
1154 . 1 1 97 97 GLU HB2 H 1 2.189 0.020 . 2 . . . . 97 GLU HB2 . 16389 1
1155 . 1 1 97 97 GLU HB3 H 1 1.848 0.020 . 2 . . . . 97 GLU HB3 . 16389 1
1156 . 1 1 97 97 GLU HG2 H 1 2.307 0.020 . 2 . . . . 97 GLU HG2 . 16389 1
1157 . 1 1 97 97 GLU HG3 H 1 2.348 0.020 . 2 . . . . 97 GLU HG3 . 16389 1
1158 . 1 1 97 97 GLU CA C 13 56.628 0.400 . 1 . . . . 97 GLU CA . 16389 1
1159 . 1 1 97 97 GLU CB C 13 30.361 0.400 . 1 . . . . 97 GLU CB . 16389 1
1160 . 1 1 97 97 GLU CG C 13 36.221 0.400 . 1 . . . . 97 GLU CG . 16389 1
1161 . 1 1 97 97 GLU N N 15 116.173 0.400 . 1 . . . . 97 GLU N . 16389 1
1162 . 1 1 98 98 GLY H H 1 7.664 0.020 . 1 . . . . 98 GLY H . 16389 1
1163 . 1 1 98 98 GLY HA2 H 1 3.743 0.020 . 2 . . . . 98 GLY HA2 . 16389 1
1164 . 1 1 98 98 GLY HA3 H 1 3.887 0.020 . 2 . . . . 98 GLY HA3 . 16389 1
1165 . 1 1 98 98 GLY CA C 13 46.624 0.400 . 1 . . . . 98 GLY CA . 16389 1
1166 . 1 1 98 98 GLY N N 15 108.883 0.400 . 1 . . . . 98 GLY N . 16389 1
1167 . 1 1 99 99 GLU H H 1 8.144 0.020 . 1 . . . . 99 GLU H . 16389 1
1168 . 1 1 99 99 GLU HA H 1 4.303 0.020 . 1 . . . . 99 GLU HA . 16389 1
1169 . 1 1 99 99 GLU HB2 H 1 2.311 0.020 . 2 . . . . 99 GLU HB2 . 16389 1
1170 . 1 1 99 99 GLU HB3 H 1 1.602 0.020 . 2 . . . . 99 GLU HB3 . 16389 1
1171 . 1 1 99 99 GLU HG2 H 1 2.184 0.020 . 2 . . . . 99 GLU HG2 . 16389 1
1172 . 1 1 99 99 GLU HG3 H 1 1.976 0.020 . 2 . . . . 99 GLU HG3 . 16389 1
1173 . 1 1 99 99 GLU CA C 13 56.386 0.400 . 1 . . . . 99 GLU CA . 16389 1
1174 . 1 1 99 99 GLU CB C 13 31.922 0.400 . 1 . . . . 99 GLU CB . 16389 1
1175 . 1 1 99 99 GLU CG C 13 36.107 0.400 . 1 . . . . 99 GLU CG . 16389 1
1176 . 1 1 99 99 GLU N N 15 116.831 0.400 . 1 . . . . 99 GLU N . 16389 1
1177 . 1 1 100 100 LEU H H 1 7.521 0.020 . 1 . . . . 100 LEU H . 16389 1
1178 . 1 1 100 100 LEU HA H 1 4.782 0.020 . 1 . . . . 100 LEU HA . 16389 1
1179 . 1 1 100 100 LEU HB2 H 1 1.722 0.020 . 2 . . . . 100 LEU HB2 . 16389 1
1180 . 1 1 100 100 LEU HB3 H 1 1.792 0.020 . 2 . . . . 100 LEU HB3 . 16389 1
1181 . 1 1 100 100 LEU HD11 H 1 0.965 0.020 . 2 . . . . 100 LEU HD11 . 16389 1
1182 . 1 1 100 100 LEU HD12 H 1 0.965 0.020 . 2 . . . . 100 LEU HD12 . 16389 1
1183 . 1 1 100 100 LEU HD13 H 1 0.965 0.020 . 2 . . . . 100 LEU HD13 . 16389 1
1184 . 1 1 100 100 LEU HD21 H 1 1.085 0.020 . 2 . . . . 100 LEU HD21 . 16389 1
1185 . 1 1 100 100 LEU HD22 H 1 1.085 0.020 . 2 . . . . 100 LEU HD22 . 16389 1
1186 . 1 1 100 100 LEU HD23 H 1 1.085 0.020 . 2 . . . . 100 LEU HD23 . 16389 1
1187 . 1 1 100 100 LEU HG H 1 1.403 0.020 . 1 . . . . 100 LEU HG . 16389 1
1188 . 1 1 100 100 LEU CA C 13 54.533 0.400 . 1 . . . . 100 LEU CA . 16389 1
1189 . 1 1 100 100 LEU CB C 13 43.223 0.400 . 1 . . . . 100 LEU CB . 16389 1
1190 . 1 1 100 100 LEU CD1 C 13 27.085 0.400 . 1 . . . . 100 LEU CD1 . 16389 1
1191 . 1 1 100 100 LEU CD2 C 13 23.509 0.400 . 1 . . . . 100 LEU CD2 . 16389 1
1192 . 1 1 100 100 LEU CG C 13 27.243 0.400 . 1 . . . . 100 LEU CG . 16389 1
1193 . 1 1 100 100 LEU N N 15 117.977 0.400 . 1 . . . . 100 LEU N . 16389 1
1194 . 1 1 101 101 SER H H 1 9.667 0.020 . 1 . . . . 101 SER H . 16389 1
1195 . 1 1 101 101 SER HA H 1 4.625 0.020 . 1 . . . . 101 SER HA . 16389 1
1196 . 1 1 101 101 SER HB2 H 1 3.944 0.020 . 1 . . . . 101 SER HB2 . 16389 1
1197 . 1 1 101 101 SER HB3 H 1 3.944 0.020 . 1 . . . . 101 SER HB3 . 16389 1
1198 . 1 1 101 101 SER CA C 13 58.390 0.400 . 1 . . . . 101 SER CA . 16389 1
1199 . 1 1 101 101 SER CB C 13 65.036 0.400 . 1 . . . . 101 SER CB . 16389 1
1200 . 1 1 101 101 SER N N 15 120.072 0.400 . 1 . . . . 101 SER N . 16389 1
1201 . 1 1 102 102 LYS H H 1 8.563 0.020 . 1 . . . . 102 LYS H . 16389 1
1202 . 1 1 102 102 LYS HA H 1 4.246 0.020 . 1 . . . . 102 LYS HA . 16389 1
1203 . 1 1 102 102 LYS HB2 H 1 1.462 0.020 . 2 . . . . 102 LYS HB2 . 16389 1
1204 . 1 1 102 102 LYS HB3 H 1 1.598 0.020 . 2 . . . . 102 LYS HB3 . 16389 1
1205 . 1 1 102 102 LYS HD2 H 1 1.452 0.020 . 1 . . . . 102 LYS HD2 . 16389 1
1206 . 1 1 102 102 LYS HD3 H 1 1.452 0.020 . 1 . . . . 102 LYS HD3 . 16389 1
1207 . 1 1 102 102 LYS HE2 H 1 2.809 0.020 . 1 . . . . 102 LYS HE2 . 16389 1
1208 . 1 1 102 102 LYS HE3 H 1 2.809 0.020 . 1 . . . . 102 LYS HE3 . 16389 1
1209 . 1 1 102 102 LYS HG2 H 1 1.180 0.020 . 2 . . . . 102 LYS HG2 . 16389 1
1210 . 1 1 102 102 LYS HG3 H 1 0.704 0.020 . 2 . . . . 102 LYS HG3 . 16389 1
1211 . 1 1 102 102 LYS CA C 13 56.840 0.400 . 1 . . . . 102 LYS CA . 16389 1
1212 . 1 1 102 102 LYS CB C 13 33.480 0.400 . 1 . . . . 102 LYS CB . 16389 1
1213 . 1 1 102 102 LYS CD C 13 29.423 0.400 . 1 . . . . 102 LYS CD . 16389 1
1214 . 1 1 102 102 LYS CE C 13 42.402 0.400 . 1 . . . . 102 LYS CE . 16389 1
1215 . 1 1 102 102 LYS CG C 13 26.166 0.400 . 1 . . . . 102 LYS CG . 16389 1
1216 . 1 1 102 102 LYS N N 15 123.530 0.400 . 1 . . . . 102 LYS N . 16389 1
1217 . 1 1 103 103 ILE H H 1 8.518 0.020 . 1 . . . . 103 ILE H . 16389 1
1218 . 1 1 103 103 ILE HA H 1 3.907 0.020 . 1 . . . . 103 ILE HA . 16389 1
1219 . 1 1 103 103 ILE HB H 1 1.444 0.020 . 1 . . . . 103 ILE HB . 16389 1
1220 . 1 1 103 103 ILE HD11 H 1 0.626 0.020 . 1 . . . . 103 ILE HD11 . 16389 1
1221 . 1 1 103 103 ILE HD12 H 1 0.626 0.020 . 1 . . . . 103 ILE HD12 . 16389 1
1222 . 1 1 103 103 ILE HD13 H 1 0.626 0.020 . 1 . . . . 103 ILE HD13 . 16389 1
1223 . 1 1 103 103 ILE HG12 H 1 1.387 0.020 . 2 . . . . 103 ILE HG12 . 16389 1
1224 . 1 1 103 103 ILE HG13 H 1 0.872 0.020 . 2 . . . . 103 ILE HG13 . 16389 1
1225 . 1 1 103 103 ILE HG21 H 1 0.629 0.020 . 1 . . . . 103 ILE HG21 . 16389 1
1226 . 1 1 103 103 ILE HG22 H 1 0.629 0.020 . 1 . . . . 103 ILE HG22 . 16389 1
1227 . 1 1 103 103 ILE HG23 H 1 0.629 0.020 . 1 . . . . 103 ILE HG23 . 16389 1
1228 . 1 1 103 103 ILE CA C 13 62.587 0.400 . 1 . . . . 103 ILE CA . 16389 1
1229 . 1 1 103 103 ILE CB C 13 38.516 0.400 . 1 . . . . 103 ILE CB . 16389 1
1230 . 1 1 103 103 ILE CD1 C 13 13.713 0.400 . 1 . . . . 103 ILE CD1 . 16389 1
1231 . 1 1 103 103 ILE CG1 C 13 28.891 0.400 . 1 . . . . 103 ILE CG1 . 16389 1
1232 . 1 1 103 103 ILE CG2 C 13 17.276 0.400 . 1 . . . . 103 ILE CG2 . 16389 1
1233 . 1 1 103 103 ILE N N 15 124.328 0.400 . 1 . . . . 103 ILE N . 16389 1
1234 . 1 1 104 104 SER H H 1 8.308 0.020 . 1 . . . . 104 SER H . 16389 1
1235 . 1 1 104 104 SER HA H 1 4.458 0.020 . 1 . . . . 104 SER HA . 16389 1
1236 . 1 1 104 104 SER HB2 H 1 3.672 0.020 . 1 . . . . 104 SER HB2 . 16389 1
1237 . 1 1 104 104 SER HB3 H 1 3.672 0.020 . 1 . . . . 104 SER HB3 . 16389 1
1238 . 1 1 104 104 SER CA C 13 58.031 0.400 . 1 . . . . 104 SER CA . 16389 1
1239 . 1 1 104 104 SER CB C 13 64.619 0.400 . 1 . . . . 104 SER CB . 16389 1
1240 . 1 1 104 104 SER N N 15 122.218 0.400 . 1 . . . . 104 SER N . 16389 1
1241 . 1 1 105 105 ASN H H 1 7.771 0.020 . 1 . . . . 105 ASN H . 16389 1
1242 . 1 1 105 105 ASN HA H 1 4.520 0.020 . 1 . . . . 105 ASN HA . 16389 1
1243 . 1 1 105 105 ASN HB2 H 1 2.304 0.020 . 2 . . . . 105 ASN HB2 . 16389 1
1244 . 1 1 105 105 ASN HB3 H 1 2.588 0.020 . 2 . . . . 105 ASN HB3 . 16389 1
1245 . 1 1 105 105 ASN HD21 H 1 6.667 0.020 . 2 . . . . 105 ASN HD21 . 16389 1
1246 . 1 1 105 105 ASN HD22 H 1 7.213 0.020 . 2 . . . . 105 ASN HD22 . 16389 1
1247 . 1 1 105 105 ASN CA C 13 51.795 0.400 . 1 . . . . 105 ASN CA . 16389 1
1248 . 1 1 105 105 ASN CB C 13 39.628 0.400 . 1 . . . . 105 ASN CB . 16389 1
1249 . 1 1 105 105 ASN N N 15 120.750 0.400 . 1 . . . . 105 ASN N . 16389 1
1250 . 1 1 105 105 ASN ND2 N 15 112.749 0.400 . 1 . . . . 105 ASN ND2 . 16389 1
1251 . 1 1 106 106 PRO HA H 1 4.059 0.020 . 1 . . . . 106 PRO HA . 16389 1
1252 . 1 1 106 106 PRO HB2 H 1 1.796 0.020 . 2 . . . . 106 PRO HB2 . 16389 1
1253 . 1 1 106 106 PRO HB3 H 1 1.992 0.020 . 2 . . . . 106 PRO HB3 . 16389 1
1254 . 1 1 106 106 PRO HD2 H 1 3.064 0.020 . 2 . . . . 106 PRO HD2 . 16389 1
1255 . 1 1 106 106 PRO HD3 H 1 3.328 0.020 . 2 . . . . 106 PRO HD3 . 16389 1
1256 . 1 1 106 106 PRO HG2 H 1 1.638 0.020 . 2 . . . . 106 PRO HG2 . 16389 1
1257 . 1 1 106 106 PRO HG3 H 1 1.777 0.020 . 2 . . . . 106 PRO HG3 . 16389 1
1258 . 1 1 106 106 PRO CA C 13 65.034 0.400 . 1 . . . . 106 PRO CA . 16389 1
1259 . 1 1 106 106 PRO CB C 13 32.312 0.400 . 1 . . . . 106 PRO CB . 16389 1
1260 . 1 1 106 106 PRO CD C 13 50.344 0.400 . 1 . . . . 106 PRO CD . 16389 1
1261 . 1 1 106 106 PRO CG C 13 27.453 0.400 . 1 . . . . 106 PRO CG . 16389 1
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