data_16564
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16564
_Entry.Title
;
NMR Structure of Agrobacterium tumefaciens protein Atu1219: Northeast Structural Genomics Consortium target AtT14
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2009-10-18
_Entry.Accession_date 2009-10-18
_Entry.Last_release_date 2012-08-03
_Entry.Original_release_date 2012-08-03
_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 John Cort . R. . 16564
2 Adelinda Yee . . . 16564
3 Cheryl Arrowsmith . H. . 16564
4 Michael Kennedy . A. . 16564
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
1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16564
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
Protein . 16564
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 16564
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 421 16564
'15N chemical shifts' 107 16564
'1H chemical shifts' 636 16564
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 . . 2012-08-03 2009-10-18 original author . 16564
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2KPQ 'BMRB Entry Tracking System' 16564
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 16564
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title 'NMR Structure of Agrobacterium tumefaciens protein Atu1219'
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'Not known'
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_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 .
_Citation.Page_last .
_Citation.Year .
_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 John Cort . R. . 16564 1
2 Adelinda Yee . . . 16564 1
3 Cheryl Arrowsmith . H. . 16564 1
4 Michael Kennedy . A. . 16564 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 16564
_Assembly.ID 1
_Assembly.Name Atu1219
_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 Atu1219 1 $Atu1219 A . yes native no no . . . 16564 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_Atu1219
_Entity.Sf_category entity
_Entity.Sf_framecode Atu1219
_Entity.Entry_ID 16564
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name Atu1219
_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
;
MEVQSMLLNDVKWEKPVTIS
LQNGAPRIFNGVYEAFDFLQ
HEWPARGDRAHEQALRLCRA
SLMGDVAGEIARTAFVAASR
QAHCLMEDKAEAPNTIASGS
;
_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 100
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
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 2KPQ . "Nmr Structure Of Agrobacterium Tumefaciens Protein Atu1219: Northeast Structural Genomics Consortium Target Att14" . . . . . 100.00 100 100.00 100.00 2.33e-67 . . . . 16564 1
2 no GB AAK87021 . "conserved hypothetical protein [Agrobacterium fabrum str. C58]" . . . . . 98.00 98 100.00 100.00 8.48e-66 . . . . 16564 1
3 no GB EGL64935 . "hypothetical protein AGRO_2481 [Agrobacterium sp. ATCC 31749]" . . . . . 93.00 93 98.92 98.92 3.52e-61 . . . . 16564 1
4 no GB KEY55612 . "hypothetical protein EN41_17790 [Agrobacterium tumefaciens]" . . . . . 93.00 93 100.00 100.00 5.76e-62 . . . . 16564 1
5 no GB KJX88779 . "hypothetical protein SY94_1123 [Agrobacterium tumefaciens]" . . . . . 98.00 98 100.00 100.00 8.48e-66 . . . . 16564 1
6 no REF NP_354236 . "conserved hypothetical protein [Agrobacterium fabrum str. C58]" . . . . . 98.00 98 100.00 100.00 8.48e-66 . . . . 16564 1
7 no REF WP_006312770 . "hypothetical protein [Agrobacterium sp. ATCC 31749]" . . . . . 93.00 93 98.92 98.92 3.52e-61 . . . . 16564 1
8 no REF WP_010971479 . "hypothetical protein [Agrobacterium fabrum]" . . . . . 98.00 98 100.00 100.00 8.48e-66 . . . . 16564 1
9 no REF WP_035256530 . "hypothetical protein [Agrobacterium tumefaciens]" . . . . . 93.00 93 100.00 100.00 5.76e-62 . . . . 16564 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . MET . 16564 1
2 . GLU . 16564 1
3 . VAL . 16564 1
4 . GLN . 16564 1
5 . SER . 16564 1
6 . MET . 16564 1
7 . LEU . 16564 1
8 . LEU . 16564 1
9 . ASN . 16564 1
10 . ASP . 16564 1
11 . VAL . 16564 1
12 . LYS . 16564 1
13 . TRP . 16564 1
14 . GLU . 16564 1
15 . LYS . 16564 1
16 . PRO . 16564 1
17 . VAL . 16564 1
18 . THR . 16564 1
19 . ILE . 16564 1
20 . SER . 16564 1
21 . LEU . 16564 1
22 . GLN . 16564 1
23 . ASN . 16564 1
24 . GLY . 16564 1
25 . ALA . 16564 1
26 . PRO . 16564 1
27 . ARG . 16564 1
28 . ILE . 16564 1
29 . PHE . 16564 1
30 . ASN . 16564 1
31 . GLY . 16564 1
32 . VAL . 16564 1
33 . TYR . 16564 1
34 . GLU . 16564 1
35 . ALA . 16564 1
36 . PHE . 16564 1
37 . ASP . 16564 1
38 . PHE . 16564 1
39 . LEU . 16564 1
40 . GLN . 16564 1
41 . HIS . 16564 1
42 . GLU . 16564 1
43 . TRP . 16564 1
44 . PRO . 16564 1
45 . ALA . 16564 1
46 . ARG . 16564 1
47 . GLY . 16564 1
48 . ASP . 16564 1
49 . ARG . 16564 1
50 . ALA . 16564 1
51 . HIS . 16564 1
52 . GLU . 16564 1
53 . GLN . 16564 1
54 . ALA . 16564 1
55 . LEU . 16564 1
56 . ARG . 16564 1
57 . LEU . 16564 1
58 . CYS . 16564 1
59 . ARG . 16564 1
60 . ALA . 16564 1
61 . SER . 16564 1
62 . LEU . 16564 1
63 . MET . 16564 1
64 . GLY . 16564 1
65 . ASP . 16564 1
66 . VAL . 16564 1
67 . ALA . 16564 1
68 . GLY . 16564 1
69 . GLU . 16564 1
70 . ILE . 16564 1
71 . ALA . 16564 1
72 . ARG . 16564 1
73 . THR . 16564 1
74 . ALA . 16564 1
75 . PHE . 16564 1
76 . VAL . 16564 1
77 . ALA . 16564 1
78 . ALA . 16564 1
79 . SER . 16564 1
80 . ARG . 16564 1
81 . GLN . 16564 1
82 . ALA . 16564 1
83 . HIS . 16564 1
84 . CYS . 16564 1
85 . LEU . 16564 1
86 . MET . 16564 1
87 . GLU . 16564 1
88 . ASP . 16564 1
89 . LYS . 16564 1
90 . ALA . 16564 1
91 . GLU . 16564 1
92 . ALA . 16564 1
93 . PRO . 16564 1
94 . ASN . 16564 1
95 . THR . 16564 1
96 . ILE . 16564 1
97 . ALA . 16564 1
98 . SER . 16564 1
99 . GLY . 16564 1
100 . SER . 16564 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 16564 1
. GLU 2 2 16564 1
. VAL 3 3 16564 1
. GLN 4 4 16564 1
. SER 5 5 16564 1
. MET 6 6 16564 1
. LEU 7 7 16564 1
. LEU 8 8 16564 1
. ASN 9 9 16564 1
. ASP 10 10 16564 1
. VAL 11 11 16564 1
. LYS 12 12 16564 1
. TRP 13 13 16564 1
. GLU 14 14 16564 1
. LYS 15 15 16564 1
. PRO 16 16 16564 1
. VAL 17 17 16564 1
. THR 18 18 16564 1
. ILE 19 19 16564 1
. SER 20 20 16564 1
. LEU 21 21 16564 1
. GLN 22 22 16564 1
. ASN 23 23 16564 1
. GLY 24 24 16564 1
. ALA 25 25 16564 1
. PRO 26 26 16564 1
. ARG 27 27 16564 1
. ILE 28 28 16564 1
. PHE 29 29 16564 1
. ASN 30 30 16564 1
. GLY 31 31 16564 1
. VAL 32 32 16564 1
. TYR 33 33 16564 1
. GLU 34 34 16564 1
. ALA 35 35 16564 1
. PHE 36 36 16564 1
. ASP 37 37 16564 1
. PHE 38 38 16564 1
. LEU 39 39 16564 1
. GLN 40 40 16564 1
. HIS 41 41 16564 1
. GLU 42 42 16564 1
. TRP 43 43 16564 1
. PRO 44 44 16564 1
. ALA 45 45 16564 1
. ARG 46 46 16564 1
. GLY 47 47 16564 1
. ASP 48 48 16564 1
. ARG 49 49 16564 1
. ALA 50 50 16564 1
. HIS 51 51 16564 1
. GLU 52 52 16564 1
. GLN 53 53 16564 1
. ALA 54 54 16564 1
. LEU 55 55 16564 1
. ARG 56 56 16564 1
. LEU 57 57 16564 1
. CYS 58 58 16564 1
. ARG 59 59 16564 1
. ALA 60 60 16564 1
. SER 61 61 16564 1
. LEU 62 62 16564 1
. MET 63 63 16564 1
. GLY 64 64 16564 1
. ASP 65 65 16564 1
. VAL 66 66 16564 1
. ALA 67 67 16564 1
. GLY 68 68 16564 1
. GLU 69 69 16564 1
. ILE 70 70 16564 1
. ALA 71 71 16564 1
. ARG 72 72 16564 1
. THR 73 73 16564 1
. ALA 74 74 16564 1
. PHE 75 75 16564 1
. VAL 76 76 16564 1
. ALA 77 77 16564 1
. ALA 78 78 16564 1
. SER 79 79 16564 1
. ARG 80 80 16564 1
. GLN 81 81 16564 1
. ALA 82 82 16564 1
. HIS 83 83 16564 1
. CYS 84 84 16564 1
. LEU 85 85 16564 1
. MET 86 86 16564 1
. GLU 87 87 16564 1
. ASP 88 88 16564 1
. LYS 89 89 16564 1
. ALA 90 90 16564 1
. GLU 91 91 16564 1
. ALA 92 92 16564 1
. PRO 93 93 16564 1
. ASN 94 94 16564 1
. THR 95 95 16564 1
. ILE 96 96 16564 1
. ALA 97 97 16564 1
. SER 98 98 16564 1
. GLY 99 99 16564 1
. SER 100 100 16564 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 16564
_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 $Atu1219 . 358 organism . 'Agrobacterium tumefaciens' 'Agrobacterium tumefaciens' . . Eubacteria . Agrobacterium tumefaciens 'C58 / ATCC33970' . . . . . . . . . . . . . . . Atu1219 . . . . 16564 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 16564
_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 $Atu1219 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET11 . . . . . . 16564 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 16564
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_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 Atu1219 '[U-100% 13C; U-100% 15N]' . . 1 $Atu1219 . . 0.9 . . mM . . . . 16564 1
2 'sodium chloride' 'natural abundance' . . . . . . 450 . . mM . . . . 16564 1
3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16564 1
4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16564 1
5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16564 1
6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16564 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 16564
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '100% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 Atu1219 '[U-100% 13C; U-100% 15N]' . . 1 $Atu1219 . . 0.9 . . mM . . . . 16564 2
2 'sodium chloride' 'natural abundance' . . . . . . 450 . . mM . . . . 16564 2
3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16564 2
4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16564 2
5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16564 2
stop_
save_
save_sample_3
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3
_Sample.Entry_ID 16564
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_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 Atu1219 '[U-100% 15N], 7% 13C biosynthetically directed labeling' . . 1 $Atu1219 . . 0.9 . . mM . . . . 16564 3
2 'sodium chloride' 'natural abundance' . . . . . . 450 . . mM . . . . 16564 3
3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16564 3
4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16564 3
5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16564 3
6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16564 3
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 16564
_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' 0.45 . M 16564 1
pH 6.5 . pH 16564 1
pressure 1 . atm 16564 1
temperature 293 . K 16564 1
stop_
save_
############################
# Computer software used #
############################
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 16564
_Software.ID 1
_Software.Name CNS
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16564 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 16564 1
stop_
save_
save_X-PLOR_NIH
_Software.Sf_category software
_Software.Sf_framecode X-PLOR_NIH
_Software.Entry_ID 16564
_Software.ID 2
_Software.Name 'X-PLOR NIH'
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Schwieters, Kuszewski, Tjandra and Clore' . . 16564 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 16564 2
stop_
save_
save_AutoStructure
_Software.Sf_category software
_Software.Sf_framecode AutoStructure
_Software.Entry_ID 16564
_Software.ID 3
_Software.Name AutoStruct
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Huang, Tejero, Powers and Montelione' . . 16564 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 16564 3
stop_
save_
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 16564
_Software.ID 4
_Software.Name SPARKY
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 16564 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 16564 4
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 16564
_Software.ID 5
_Software.Name NMRPipe
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16564 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 16564 5
stop_
save_
save_PSVS
_Software.Sf_category software
_Software.Sf_framecode PSVS
_Software.Entry_ID 16564
_Software.ID 6
_Software.Name PSVS
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bhattacharya and Montelione' . . 16564 6
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 16564 6
stop_
save_
save_Felix
_Software.Sf_category software
_Software.Sf_framecode Felix
_Software.Entry_ID 16564
_Software.ID 7
_Software.Name FELIX
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Accelrys Software Inc.' . . 16564 7
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 16564 7
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 16564
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_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 16564
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 750
save_
save_spectrometer_3
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_3
_NMR_spectrometer.Entry_ID 16564
_NMR_spectrometer.ID 3
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model UnityPlus
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
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 16564
_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 Varian INOVA . 600 . . . 16564 1
2 spectrometer_2 Varian INOVA . 750 . . . 16564 1
3 spectrometer_3 Varian UnityPlus . 500 . . . 16564 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 16564
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1
2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1
3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1
4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1
5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1
6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1
7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1
8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1
9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1
10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1
11 '4D 1H-13C-13C-1H HMQC-NOESY-HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 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 16564
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16564 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16564 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16564 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 16564
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 16564 1
2 '2D 1H-13C HSQC' . . . 16564 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
4 $SPARKY . . 16564 1
5 $NMRPipe . . 16564 1
7 $Felix . . 16564 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET HA H 1 4.37 0.02 . 1 . . . . 1 MET HA . 16564 1
2 . 1 1 1 1 MET HB2 H 1 1.90 0.02 . 2 . . . . 1 MET HB2 . 16564 1
3 . 1 1 1 1 MET HB3 H 1 1.99 0.02 . 2 . . . . 1 MET HB3 . 16564 1
4 . 1 1 1 1 MET C C 13 175.9 0.2 . 1 . . . . 1 MET C . 16564 1
5 . 1 1 1 1 MET CA C 13 55.6 0.2 . 1 . . . . 1 MET CA . 16564 1
6 . 1 1 1 1 MET CB C 13 32.6 0.2 . 1 . . . . 1 MET CB . 16564 1
7 . 1 1 2 2 GLU H H 1 8.44 0.02 . 1 . . . . 2 GLU H . 16564 1
8 . 1 1 2 2 GLU HA H 1 4.28 0.02 . 1 . . . . 2 GLU HA . 16564 1
9 . 1 1 2 2 GLU HB2 H 1 1.93 0.02 . 2 . . . . 2 GLU HB2 . 16564 1
10 . 1 1 2 2 GLU HB3 H 1 2.02 0.02 . 2 . . . . 2 GLU HB3 . 16564 1
11 . 1 1 2 2 GLU C C 13 176.7 0.2 . 1 . . . . 2 GLU C . 16564 1
12 . 1 1 2 2 GLU CA C 13 56.8 0.2 . 1 . . . . 2 GLU CA . 16564 1
13 . 1 1 2 2 GLU CB C 13 30.1 0.2 . 1 . . . . 2 GLU CB . 16564 1
14 . 1 1 2 2 GLU N N 15 122.6 0.2 . 1 . . . . 2 GLU N . 16564 1
15 . 1 1 3 3 VAL H H 1 8.21 0.02 . 1 . . . . 3 VAL H . 16564 1
16 . 1 1 3 3 VAL HA H 1 4.52 0.02 . 1 . . . . 3 VAL HA . 16564 1
17 . 1 1 3 3 VAL HB H 1 2.06 0.02 . 1 . . . . 3 VAL HB . 16564 1
18 . 1 1 3 3 VAL HG11 H 1 0.90 0.02 . 1 . . . . 3 VAL HG1 . 16564 1
19 . 1 1 3 3 VAL HG12 H 1 0.90 0.02 . 1 . . . . 3 VAL HG1 . 16564 1
20 . 1 1 3 3 VAL HG13 H 1 0.90 0.02 . 1 . . . . 3 VAL HG1 . 16564 1
21 . 1 1 3 3 VAL HG21 H 1 0.93 0.02 . 1 . . . . 3 VAL HG2 . 16564 1
22 . 1 1 3 3 VAL HG22 H 1 0.93 0.02 . 1 . . . . 3 VAL HG2 . 16564 1
23 . 1 1 3 3 VAL HG23 H 1 0.93 0.02 . 1 . . . . 3 VAL HG2 . 16564 1
24 . 1 1 3 3 VAL C C 13 176.4 0.2 . 1 . . . . 3 VAL C . 16564 1
25 . 1 1 3 3 VAL CA C 13 62.9 0.2 . 1 . . . . 3 VAL CA . 16564 1
26 . 1 1 3 3 VAL CB C 13 32.7 0.2 . 1 . . . . 3 VAL CB . 16564 1
27 . 1 1 3 3 VAL CG1 C 13 21.3 0.2 . 1 . . . . 3 VAL CG1 . 16564 1
28 . 1 1 3 3 VAL CG2 C 13 20.9 0.2 . 1 . . . . 3 VAL CG2 . 16564 1
29 . 1 1 3 3 VAL N N 15 121.5 0.2 . 1 . . . . 3 VAL N . 16564 1
30 . 1 1 4 4 GLN H H 1 8.48 0.02 . 1 . . . . 4 GLN H . 16564 1
31 . 1 1 4 4 GLN HA H 1 4.27 0.02 . 1 . . . . 4 GLN HA . 16564 1
32 . 1 1 4 4 GLN HB2 H 1 1.99 0.02 . 2 . . . . 4 GLN HB2 . 16564 1
33 . 1 1 4 4 GLN HB3 H 1 2.08 0.02 . 2 . . . . 4 GLN HB3 . 16564 1
34 . 1 1 4 4 GLN HE21 H 1 6.86 0.02 . 2 . . . . 4 GLN HE21 . 16564 1
35 . 1 1 4 4 GLN HE22 H 1 7.50 0.02 . 2 . . . . 4 GLN HE22 . 16564 1
36 . 1 1 4 4 GLN HG2 H 1 2.33 0.02 . 2 . . . . 4 GLN HG2 . 16564 1
37 . 1 1 4 4 GLN HG3 H 1 2.36 0.02 . 2 . . . . 4 GLN HG3 . 16564 1
38 . 1 1 4 4 GLN C C 13 176.3 0.2 . 1 . . . . 4 GLN C . 16564 1
39 . 1 1 4 4 GLN CA C 13 56.4 0.2 . 1 . . . . 4 GLN CA . 16564 1
40 . 1 1 4 4 GLN CB C 13 29.1 0.2 . 1 . . . . 4 GLN CB . 16564 1
41 . 1 1 4 4 GLN CD C 13 180.2 0.2 . 1 . . . . 4 GLN CD . 16564 1
42 . 1 1 4 4 GLN CG C 13 33.7 0.2 . 1 . . . . 4 GLN CG . 16564 1
43 . 1 1 4 4 GLN N N 15 123.2 0.2 . 1 . . . . 4 GLN N . 16564 1
44 . 1 1 4 4 GLN NE2 N 15 112.5 0.2 . 1 . . . . 4 GLN NE2 . 16564 1
45 . 1 1 5 5 SER H H 1 8.23 0.02 . 1 . . . . 5 SER H . 16564 1
46 . 1 1 5 5 SER HA H 1 4.34 0.02 . 1 . . . . 5 SER HA . 16564 1
47 . 1 1 5 5 SER HB2 H 1 3.82 0.02 . 2 . . . . 5 SER HB2 . 16564 1
48 . 1 1 5 5 SER HB3 H 1 3.87 0.02 . 2 . . . . 5 SER HB3 . 16564 1
49 . 1 1 5 5 SER C C 13 174.7 0.2 . 1 . . . . 5 SER C . 16564 1
50 . 1 1 5 5 SER CA C 13 58.9 0.2 . 1 . . . . 5 SER CA . 16564 1
51 . 1 1 5 5 SER CB C 13 63.5 0.2 . 1 . . . . 5 SER CB . 16564 1
52 . 1 1 5 5 SER N N 15 116.5 0.2 . 1 . . . . 5 SER N . 16564 1
53 . 1 1 6 6 MET H H 1 8.24 0.02 . 1 . . . . 6 MET H . 16564 1
54 . 1 1 6 6 MET HA H 1 4.40 0.02 . 1 . . . . 6 MET HA . 16564 1
55 . 1 1 6 6 MET HB2 H 1 1.99 0.02 . 2 . . . . 6 MET HB2 . 16564 1
56 . 1 1 6 6 MET HB3 H 1 2.04 0.02 . 2 . . . . 6 MET HB3 . 16564 1
57 . 1 1 6 6 MET C C 13 175.9 0.2 . 1 . . . . 6 MET C . 16564 1
58 . 1 1 6 6 MET CA C 13 56.1 0.2 . 1 . . . . 6 MET CA . 16564 1
59 . 1 1 6 6 MET CB C 13 32.9 0.2 . 1 . . . . 6 MET CB . 16564 1
60 . 1 1 6 6 MET CG C 13 32.2 0.2 . 1 . . . . 6 MET CG . 16564 1
61 . 1 1 6 6 MET N N 15 121.8 0.2 . 1 . . . . 6 MET N . 16564 1
62 . 1 1 7 7 LEU H H 1 7.86 0.02 . 1 . . . . 7 LEU H . 16564 1
63 . 1 1 7 7 LEU HA H 1 4.13 0.02 . 1 . . . . 7 LEU HA . 16564 1
64 . 1 1 7 7 LEU HB2 H 1 1.50 0.02 . 2 . . . . 7 LEU HB2 . 16564 1
65 . 1 1 7 7 LEU HB3 H 1 1.54 0.02 . 2 . . . . 7 LEU HB3 . 16564 1
66 . 1 1 7 7 LEU HD11 H 1 0.82 0.02 . 1 . . . . 7 LEU HD1 . 16564 1
67 . 1 1 7 7 LEU HD12 H 1 0.82 0.02 . 1 . . . . 7 LEU HD1 . 16564 1
68 . 1 1 7 7 LEU HD13 H 1 0.82 0.02 . 1 . . . . 7 LEU HD1 . 16564 1
69 . 1 1 7 7 LEU HD21 H 1 0.74 0.02 . 1 . . . . 7 LEU HD2 . 16564 1
70 . 1 1 7 7 LEU HD22 H 1 0.74 0.02 . 1 . . . . 7 LEU HD2 . 16564 1
71 . 1 1 7 7 LEU HD23 H 1 0.74 0.02 . 1 . . . . 7 LEU HD2 . 16564 1
72 . 1 1 7 7 LEU HG H 1 1.50 0.02 . 1 . . . . 7 LEU HG . 16564 1
73 . 1 1 7 7 LEU C C 13 177.1 0.2 . 1 . . . . 7 LEU C . 16564 1
74 . 1 1 7 7 LEU CA C 13 55.9 0.2 . 1 . . . . 7 LEU CA . 16564 1
75 . 1 1 7 7 LEU CB C 13 42.0 0.2 . 1 . . . . 7 LEU CB . 16564 1
76 . 1 1 7 7 LEU CD1 C 13 24.8 0.2 . 1 . . . . 7 LEU CD1 . 16564 1
77 . 1 1 7 7 LEU CD2 C 13 23.8 0.2 . 1 . . . . 7 LEU CD2 . 16564 1
78 . 1 1 7 7 LEU CG C 13 26.9 0.2 . 1 . . . . 7 LEU CG . 16564 1
79 . 1 1 7 7 LEU N N 15 121.6 0.2 . 1 . . . . 7 LEU N . 16564 1
80 . 1 1 8 8 LEU H H 1 7.92 0.02 . 1 . . . . 8 LEU H . 16564 1
81 . 1 1 8 8 LEU HA H 1 4.32 0.02 . 1 . . . . 8 LEU HA . 16564 1
82 . 1 1 8 8 LEU HB2 H 1 1.41 0.02 . 2 . . . . 8 LEU HB2 . 16564 1
83 . 1 1 8 8 LEU HB3 H 1 1.65 0.02 . 2 . . . . 8 LEU HB3 . 16564 1
84 . 1 1 8 8 LEU HD11 H 1 0.84 0.02 . 1 . . . . 8 LEU HD1 . 16564 1
85 . 1 1 8 8 LEU HD12 H 1 0.84 0.02 . 1 . . . . 8 LEU HD1 . 16564 1
86 . 1 1 8 8 LEU HD13 H 1 0.84 0.02 . 1 . . . . 8 LEU HD1 . 16564 1
87 . 1 1 8 8 LEU HD21 H 1 0.76 0.02 . 1 . . . . 8 LEU HD2 . 16564 1
88 . 1 1 8 8 LEU HD22 H 1 0.76 0.02 . 1 . . . . 8 LEU HD2 . 16564 1
89 . 1 1 8 8 LEU HD23 H 1 0.76 0.02 . 1 . . . . 8 LEU HD2 . 16564 1
90 . 1 1 8 8 LEU HG H 1 1.54 0.02 . 1 . . . . 8 LEU HG . 16564 1
91 . 1 1 8 8 LEU C C 13 176.5 0.2 . 1 . . . . 8 LEU C . 16564 1
92 . 1 1 8 8 LEU CA C 13 54.7 0.2 . 1 . . . . 8 LEU CA . 16564 1
93 . 1 1 8 8 LEU CB C 13 42.5 0.2 . 1 . . . . 8 LEU CB . 16564 1
94 . 1 1 8 8 LEU CD1 C 13 25.2 0.2 . 1 . . . . 8 LEU CD1 . 16564 1
95 . 1 1 8 8 LEU CD2 C 13 23.1 0.2 . 1 . . . . 8 LEU CD2 . 16564 1
96 . 1 1 8 8 LEU CG C 13 27.0 0.2 . 1 . . . . 8 LEU CG . 16564 1
97 . 1 1 8 8 LEU N N 15 120.5 0.2 . 1 . . . . 8 LEU N . 16564 1
98 . 1 1 9 9 ASN H H 1 8.24 0.02 . 1 . . . . 9 ASN H . 16564 1
99 . 1 1 9 9 ASN HA H 1 4.66 0.02 . 1 . . . . 9 ASN HA . 16564 1
100 . 1 1 9 9 ASN HB2 H 1 2.66 0.02 . 2 . . . . 9 ASN HB2 . 16564 1
101 . 1 1 9 9 ASN HB3 H 1 2.75 0.02 . 2 . . . . 9 ASN HB3 . 16564 1
102 . 1 1 9 9 ASN HD21 H 1 6.84 0.02 . 2 . . . . 9 ASN HD21 . 16564 1
103 . 1 1 9 9 ASN HD22 H 1 7.53 0.02 . 2 . . . . 9 ASN HD22 . 16564 1
104 . 1 1 9 9 ASN C C 13 173.9 0.2 . 1 . . . . 9 ASN C . 16564 1
105 . 1 1 9 9 ASN CA C 13 53.2 0.2 . 1 . . . . 9 ASN CA . 16564 1
106 . 1 1 9 9 ASN CB C 13 39.6 0.2 . 1 . . . . 9 ASN CB . 16564 1
107 . 1 1 9 9 ASN CG C 13 177.0 0.2 . 1 . . . . 9 ASN CG . 16564 1
108 . 1 1 9 9 ASN N N 15 118.9 0.2 . 1 . . . . 9 ASN N . 16564 1
109 . 1 1 9 9 ASN ND2 N 15 113.4 0.2 . 1 . . . . 9 ASN ND2 . 16564 1
110 . 1 1 10 10 ASP H H 1 7.91 0.02 . 1 . . . . 10 ASP H . 16564 1
111 . 1 1 10 10 ASP HA H 1 4.49 0.02 . 1 . . . . 10 ASP HA . 16564 1
112 . 1 1 10 10 ASP HB2 H 1 2.41 0.02 . 2 . . . . 10 ASP HB2 . 16564 1
113 . 1 1 10 10 ASP HB3 H 1 2.57 0.02 . 2 . . . . 10 ASP HB3 . 16564 1
114 . 1 1 10 10 ASP C C 13 175.3 0.2 . 1 . . . . 10 ASP C . 16564 1
115 . 1 1 10 10 ASP CA C 13 53.6 0.2 . 1 . . . . 10 ASP CA . 16564 1
116 . 1 1 10 10 ASP CB C 13 41.9 0.2 . 1 . . . . 10 ASP CB . 16564 1
117 . 1 1 10 10 ASP N N 15 117.8 0.2 . 1 . . . . 10 ASP N . 16564 1
118 . 1 1 11 11 VAL H H 1 8.29 0.02 . 1 . . . . 11 VAL H . 16564 1
119 . 1 1 11 11 VAL HA H 1 4.00 0.02 . 1 . . . . 11 VAL HA . 16564 1
120 . 1 1 11 11 VAL HB H 1 1.73 0.02 . 1 . . . . 11 VAL HB . 16564 1
121 . 1 1 11 11 VAL HG11 H 1 0.91 0.02 . 1 . . . . 11 VAL HG1 . 16564 1
122 . 1 1 11 11 VAL HG12 H 1 0.91 0.02 . 1 . . . . 11 VAL HG1 . 16564 1
123 . 1 1 11 11 VAL HG13 H 1 0.91 0.02 . 1 . . . . 11 VAL HG1 . 16564 1
124 . 1 1 11 11 VAL HG21 H 1 0.89 0.02 . 1 . . . . 11 VAL HG2 . 16564 1
125 . 1 1 11 11 VAL HG22 H 1 0.89 0.02 . 1 . . . . 11 VAL HG2 . 16564 1
126 . 1 1 11 11 VAL HG23 H 1 0.89 0.02 . 1 . . . . 11 VAL HG2 . 16564 1
127 . 1 1 11 11 VAL C C 13 174.3 0.2 . 1 . . . . 11 VAL C . 16564 1
128 . 1 1 11 11 VAL CA C 13 62.0 0.2 . 1 . . . . 11 VAL CA . 16564 1
129 . 1 1 11 11 VAL CB C 13 34.1 0.2 . 1 . . . . 11 VAL CB . 16564 1
130 . 1 1 11 11 VAL CG1 C 13 21.6 0.2 . 1 . . . . 11 VAL CG1 . 16564 1
131 . 1 1 11 11 VAL CG2 C 13 20.8 0.2 . 1 . . . . 11 VAL CG2 . 16564 1
132 . 1 1 11 11 VAL N N 15 123.6 0.2 . 1 . . . . 11 VAL N . 16564 1
133 . 1 1 12 12 LYS H H 1 8.47 0.02 . 1 . . . . 12 LYS H . 16564 1
134 . 1 1 12 12 LYS HA H 1 4.32 0.02 . 1 . . . . 12 LYS HA . 16564 1
135 . 1 1 12 12 LYS HB2 H 1 1.74 0.02 . 2 . . . . 12 LYS HB2 . 16564 1
136 . 1 1 12 12 LYS HB3 H 1 1.77 0.02 . 2 . . . . 12 LYS HB3 . 16564 1
137 . 1 1 12 12 LYS HD2 H 1 1.52 0.02 . 2 . . . . 12 LYS HD2 . 16564 1
138 . 1 1 12 12 LYS HD3 H 1 1.54 0.02 . 2 . . . . 12 LYS HD3 . 16564 1
139 . 1 1 12 12 LYS HE2 H 1 2.89 0.02 . 2 . . . . 12 LYS HE2 . 16564 1
140 . 1 1 12 12 LYS HE3 H 1 2.94 0.02 . 2 . . . . 12 LYS HE3 . 16564 1
141 . 1 1 12 12 LYS HG2 H 1 1.37 0.02 . 2 . . . . 12 LYS HG2 . 16564 1
142 . 1 1 12 12 LYS HG3 H 1 1.43 0.02 . 2 . . . . 12 LYS HG3 . 16564 1
143 . 1 1 12 12 LYS C C 13 177.1 0.2 . 1 . . . . 12 LYS C . 16564 1
144 . 1 1 12 12 LYS CA C 13 55.5 0.2 . 1 . . . . 12 LYS CA . 16564 1
145 . 1 1 12 12 LYS CB C 13 33.3 0.2 . 1 . . . . 12 LYS CB . 16564 1
146 . 1 1 12 12 LYS CD C 13 28.4 0.2 . 1 . . . . 12 LYS CD . 16564 1
147 . 1 1 12 12 LYS CE C 13 42.1 0.2 . 1 . . . . 12 LYS CE . 16564 1
148 . 1 1 12 12 LYS CG C 13 24.7 0.2 . 1 . . . . 12 LYS CG . 16564 1
149 . 1 1 12 12 LYS N N 15 125.5 0.2 . 1 . . . . 12 LYS N . 16564 1
150 . 1 1 13 13 TRP H H 1 8.44 0.02 . 1 . . . . 13 TRP H . 16564 1
151 . 1 1 13 13 TRP HA H 1 5.11 0.02 . 1 . . . . 13 TRP HA . 16564 1
152 . 1 1 13 13 TRP HB2 H 1 2.87 0.02 . 2 . . . . 13 TRP HB2 . 16564 1
153 . 1 1 13 13 TRP HB3 H 1 3.12 0.02 . 2 . . . . 13 TRP HB3 . 16564 1
154 . 1 1 13 13 TRP HD1 H 1 7.01 0.02 . 1 . . . . 13 TRP HD1 . 16564 1
155 . 1 1 13 13 TRP HE1 H 1 8.61 0.02 . 1 . . . . 13 TRP HE1 . 16564 1
156 . 1 1 13 13 TRP HE3 H 1 7.41 0.02 . 1 . . . . 13 TRP HE3 . 16564 1
157 . 1 1 13 13 TRP HH2 H 1 6.28 0.02 . 1 . . . . 13 TRP HH2 . 16564 1
158 . 1 1 13 13 TRP HZ2 H 1 6.73 0.02 . 1 . . . . 13 TRP HZ2 . 16564 1
159 . 1 1 13 13 TRP HZ3 H 1 6.68 0.02 . 1 . . . . 13 TRP HZ3 . 16564 1
160 . 1 1 13 13 TRP C C 13 176.3 0.2 . 1 . . . . 13 TRP C . 16564 1
161 . 1 1 13 13 TRP CA C 13 53.8 0.2 . 1 . . . . 13 TRP CA . 16564 1
162 . 1 1 13 13 TRP CB C 13 30.1 0.2 . 1 . . . . 13 TRP CB . 16564 1
163 . 1 1 13 13 TRP CD1 C 13 123.6 0.2 . 1 . . . . 13 TRP CD1 . 16564 1
164 . 1 1 13 13 TRP CE3 C 13 120.9 0.2 . 1 . . . . 13 TRP CE3 . 16564 1
165 . 1 1 13 13 TRP CH2 C 13 124.8 0.2 . 1 . . . . 13 TRP CH2 . 16564 1
166 . 1 1 13 13 TRP CZ2 C 13 112.1 0.2 . 1 . . . . 13 TRP CZ2 . 16564 1
167 . 1 1 13 13 TRP CZ3 C 13 121.8 0.2 . 1 . . . . 13 TRP CZ3 . 16564 1
168 . 1 1 13 13 TRP N N 15 124.5 0.2 . 1 . . . . 13 TRP N . 16564 1
169 . 1 1 13 13 TRP NE1 N 15 127.5 0.2 . 1 . . . . 13 TRP NE1 . 16564 1
170 . 1 1 14 14 GLU H H 1 9.16 0.02 . 1 . . . . 14 GLU H . 16564 1
171 . 1 1 14 14 GLU HA H 1 4.06 0.02 . 1 . . . . 14 GLU HA . 16564 1
172 . 1 1 14 14 GLU HB2 H 1 2.09 0.02 . 2 . . . . 14 GLU HB2 . 16564 1
173 . 1 1 14 14 GLU HB3 H 1 2.12 0.02 . 2 . . . . 14 GLU HB3 . 16564 1
174 . 1 1 14 14 GLU HG2 H 1 2.28 0.02 . 2 . . . . 14 GLU HG2 . 16564 1
175 . 1 1 14 14 GLU HG3 H 1 2.40 0.02 . 2 . . . . 14 GLU HG3 . 16564 1
176 . 1 1 14 14 GLU C C 13 176.8 0.2 . 1 . . . . 14 GLU C . 16564 1
177 . 1 1 14 14 GLU CA C 13 58.9 0.2 . 1 . . . . 14 GLU CA . 16564 1
178 . 1 1 14 14 GLU CB C 13 29.6 0.2 . 1 . . . . 14 GLU CB . 16564 1
179 . 1 1 14 14 GLU CG C 13 36.6 0.2 . 1 . . . . 14 GLU CG . 16564 1
180 . 1 1 14 14 GLU N N 15 124.0 0.2 . 1 . . . . 14 GLU N . 16564 1
181 . 1 1 15 15 LYS H H 1 8.25 0.02 . 1 . . . . 15 LYS H . 16564 1
182 . 1 1 15 15 LYS HA H 1 4.93 0.02 . 1 . . . . 15 LYS HA . 16564 1
183 . 1 1 15 15 LYS HB2 H 1 1.60 0.02 . 2 . . . . 15 LYS HB2 . 16564 1
184 . 1 1 15 15 LYS HB3 H 1 1.74 0.02 . 2 . . . . 15 LYS HB3 . 16564 1
185 . 1 1 15 15 LYS HD2 H 1 1.62 0.02 . 2 . . . . 15 LYS HD2 . 16564 1
186 . 1 1 15 15 LYS HD3 H 1 1.65 0.02 . 2 . . . . 15 LYS HD3 . 16564 1
187 . 1 1 15 15 LYS HE2 H 1 2.93 0.02 . 2 . . . . 15 LYS HE2 . 16564 1
188 . 1 1 15 15 LYS HE3 H 1 2.95 0.02 . 2 . . . . 15 LYS HE3 . 16564 1
189 . 1 1 15 15 LYS HG2 H 1 1.39 0.02 . 2 . . . . 15 LYS HG2 . 16564 1
190 . 1 1 15 15 LYS HG3 H 1 1.41 0.02 . 2 . . . . 15 LYS HG3 . 16564 1
191 . 1 1 15 15 LYS CA C 13 52.1 0.2 . 1 . . . . 15 LYS CA . 16564 1
192 . 1 1 15 15 LYS CB C 13 33.6 0.2 . 1 . . . . 15 LYS CB . 16564 1
193 . 1 1 15 15 LYS CD C 13 29.2 0.2 . 1 . . . . 15 LYS CD . 16564 1
194 . 1 1 15 15 LYS CG C 13 24.7 0.2 . 1 . . . . 15 LYS CG . 16564 1
195 . 1 1 15 15 LYS N N 15 118.0 0.2 . 1 . . . . 15 LYS N . 16564 1
196 . 1 1 16 16 PRO HA H 1 5.06 0.02 . 1 . . . . 16 PRO HA . 16564 1
197 . 1 1 16 16 PRO HB2 H 1 1.79 0.02 . 2 . . . . 16 PRO HB2 . 16564 1
198 . 1 1 16 16 PRO HB3 H 1 2.38 0.02 . 2 . . . . 16 PRO HB3 . 16564 1
199 . 1 1 16 16 PRO HD2 H 1 3.72 0.02 . 2 . . . . 16 PRO HD2 . 16564 1
200 . 1 1 16 16 PRO HD3 H 1 3.89 0.02 . 2 . . . . 16 PRO HD3 . 16564 1
201 . 1 1 16 16 PRO HG2 H 1 1.92 0.02 . 2 . . . . 16 PRO HG2 . 16564 1
202 . 1 1 16 16 PRO HG3 H 1 2.07 0.02 . 2 . . . . 16 PRO HG3 . 16564 1
203 . 1 1 16 16 PRO C C 13 177.3 0.2 . 1 . . . . 16 PRO C . 16564 1
204 . 1 1 16 16 PRO CA C 13 62.7 0.2 . 1 . . . . 16 PRO CA . 16564 1
205 . 1 1 16 16 PRO CB C 13 33.4 0.2 . 1 . . . . 16 PRO CB . 16564 1
206 . 1 1 16 16 PRO CD C 13 51.0 0.2 . 1 . . . . 16 PRO CD . 16564 1
207 . 1 1 16 16 PRO CG C 13 26.8 0.2 . 1 . . . . 16 PRO CG . 16564 1
208 . 1 1 17 17 VAL H H 1 8.87 0.02 . 1 . . . . 17 VAL H . 16564 1
209 . 1 1 17 17 VAL HA H 1 4.32 0.02 . 1 . . . . 17 VAL HA . 16564 1
210 . 1 1 17 17 VAL HB H 1 2.22 0.02 . 1 . . . . 17 VAL HB . 16564 1
211 . 1 1 17 17 VAL HG11 H 1 0.95 0.02 . 1 . . . . 17 VAL HG1 . 16564 1
212 . 1 1 17 17 VAL HG12 H 1 0.95 0.02 . 1 . . . . 17 VAL HG1 . 16564 1
213 . 1 1 17 17 VAL HG13 H 1 0.95 0.02 . 1 . . . . 17 VAL HG1 . 16564 1
214 . 1 1 17 17 VAL HG21 H 1 0.75 0.02 . 1 . . . . 17 VAL HG2 . 16564 1
215 . 1 1 17 17 VAL HG22 H 1 0.75 0.02 . 1 . . . . 17 VAL HG2 . 16564 1
216 . 1 1 17 17 VAL HG23 H 1 0.75 0.02 . 1 . . . . 17 VAL HG2 . 16564 1
217 . 1 1 17 17 VAL C C 13 174.6 0.2 . 1 . . . . 17 VAL C . 16564 1
218 . 1 1 17 17 VAL CA C 13 62.1 0.2 . 1 . . . . 17 VAL CA . 16564 1
219 . 1 1 17 17 VAL CB C 13 35.5 0.2 . 1 . . . . 17 VAL CB . 16564 1
220 . 1 1 17 17 VAL CG1 C 13 21.9 0.2 . 1 . . . . 17 VAL CG1 . 16564 1
221 . 1 1 17 17 VAL CG2 C 13 23.4 0.2 . 1 . . . . 17 VAL CG2 . 16564 1
222 . 1 1 17 17 VAL N N 15 121.1 0.2 . 1 . . . . 17 VAL N . 16564 1
223 . 1 1 18 18 THR H H 1 8.96 0.02 . 1 . . . . 18 THR H . 16564 1
224 . 1 1 18 18 THR HA H 1 5.26 0.02 . 1 . . . . 18 THR HA . 16564 1
225 . 1 1 18 18 THR HB H 1 3.99 0.02 . 1 . . . . 18 THR HB . 16564 1
226 . 1 1 18 18 THR HG21 H 1 1.13 0.02 . 1 . . . . 18 THR HG2 . 16564 1
227 . 1 1 18 18 THR HG22 H 1 1.13 0.02 . 1 . . . . 18 THR HG2 . 16564 1
228 . 1 1 18 18 THR HG23 H 1 1.13 0.02 . 1 . . . . 18 THR HG2 . 16564 1
229 . 1 1 18 18 THR C C 13 173.1 0.2 . 1 . . . . 18 THR C . 16564 1
230 . 1 1 18 18 THR CA C 13 62.1 0.2 . 1 . . . . 18 THR CA . 16564 1
231 . 1 1 18 18 THR CB C 13 69.1 0.2 . 1 . . . . 18 THR CB . 16564 1
232 . 1 1 18 18 THR CG2 C 13 22.3 0.2 . 1 . . . . 18 THR CG2 . 16564 1
233 . 1 1 18 18 THR N N 15 124.6 0.2 . 1 . . . . 18 THR N . 16564 1
234 . 1 1 19 19 ILE H H 1 9.14 0.02 . 1 . . . . 19 ILE H . 16564 1
235 . 1 1 19 19 ILE HA H 1 5.07 0.02 . 1 . . . . 19 ILE HA . 16564 1
236 . 1 1 19 19 ILE HB H 1 1.97 0.02 . 1 . . . . 19 ILE HB . 16564 1
237 . 1 1 19 19 ILE HD11 H 1 0.65 0.02 . 1 . . . . 19 ILE HD1 . 16564 1
238 . 1 1 19 19 ILE HD12 H 1 0.65 0.02 . 1 . . . . 19 ILE HD1 . 16564 1
239 . 1 1 19 19 ILE HD13 H 1 0.65 0.02 . 1 . . . . 19 ILE HD1 . 16564 1
240 . 1 1 19 19 ILE HG12 H 1 1.24 0.02 . 2 . . . . 19 ILE HG12 . 16564 1
241 . 1 1 19 19 ILE HG13 H 1 1.29 0.02 . 2 . . . . 19 ILE HG13 . 16564 1
242 . 1 1 19 19 ILE HG21 H 1 0.85 0.02 . 1 . . . . 19 ILE HG2 . 16564 1
243 . 1 1 19 19 ILE HG22 H 1 0.85 0.02 . 1 . . . . 19 ILE HG2 . 16564 1
244 . 1 1 19 19 ILE HG23 H 1 0.85 0.02 . 1 . . . . 19 ILE HG2 . 16564 1
245 . 1 1 19 19 ILE C C 13 174.6 0.2 . 1 . . . . 19 ILE C . 16564 1
246 . 1 1 19 19 ILE CA C 13 57.7 0.2 . 1 . . . . 19 ILE CA . 16564 1
247 . 1 1 19 19 ILE CB C 13 41.1 0.2 . 1 . . . . 19 ILE CB . 16564 1
248 . 1 1 19 19 ILE CD1 C 13 13.8 0.2 . 1 . . . . 19 ILE CD1 . 16564 1
249 . 1 1 19 19 ILE CG1 C 13 27.9 0.2 . 1 . . . . 19 ILE CG1 . 16564 1
250 . 1 1 19 19 ILE CG2 C 13 17.7 0.2 . 1 . . . . 19 ILE CG2 . 16564 1
251 . 1 1 19 19 ILE N N 15 125.3 0.2 . 1 . . . . 19 ILE N . 16564 1
252 . 1 1 20 20 SER H H 1 8.79 0.02 . 1 . . . . 20 SER H . 16564 1
253 . 1 1 20 20 SER HA H 1 4.64 0.02 . 1 . . . . 20 SER HA . 16564 1
254 . 1 1 20 20 SER HB2 H 1 3.61 0.02 . 2 . . . . 20 SER HB2 . 16564 1
255 . 1 1 20 20 SER HB3 H 1 3.64 0.02 . 2 . . . . 20 SER HB3 . 16564 1
256 . 1 1 20 20 SER C C 13 174.4 0.2 . 1 . . . . 20 SER C . 16564 1
257 . 1 1 20 20 SER CA C 13 56.6 0.2 . 1 . . . . 20 SER CA . 16564 1
258 . 1 1 20 20 SER CB C 13 64.6 0.2 . 1 . . . . 20 SER CB . 16564 1
259 . 1 1 20 20 SER N N 15 117.1 0.2 . 1 . . . . 20 SER N . 16564 1
260 . 1 1 21 21 LEU H H 1 8.71 0.02 . 1 . . . . 21 LEU H . 16564 1
261 . 1 1 21 21 LEU HA H 1 4.56 0.02 . 1 . . . . 21 LEU HA . 16564 1
262 . 1 1 21 21 LEU HB2 H 1 1.68 0.02 . 2 . . . . 21 LEU HB2 . 16564 1
263 . 1 1 21 21 LEU HB3 H 1 1.96 0.02 . 2 . . . . 21 LEU HB3 . 16564 1
264 . 1 1 21 21 LEU HD11 H 1 0.98 0.02 . 1 . . . . 21 LEU HD1 . 16564 1
265 . 1 1 21 21 LEU HD12 H 1 0.98 0.02 . 1 . . . . 21 LEU HD1 . 16564 1
266 . 1 1 21 21 LEU HD13 H 1 0.98 0.02 . 1 . . . . 21 LEU HD1 . 16564 1
267 . 1 1 21 21 LEU HD21 H 1 0.98 0.02 . 1 . . . . 21 LEU HD2 . 16564 1
268 . 1 1 21 21 LEU HD22 H 1 0.98 0.02 . 1 . . . . 21 LEU HD2 . 16564 1
269 . 1 1 21 21 LEU HD23 H 1 0.98 0.02 . 1 . . . . 21 LEU HD2 . 16564 1
270 . 1 1 21 21 LEU HG H 1 1.70 0.02 . 1 . . . . 21 LEU HG . 16564 1
271 . 1 1 21 21 LEU C C 13 178.7 0.2 . 1 . . . . 21 LEU C . 16564 1
272 . 1 1 21 21 LEU CA C 13 53.9 0.2 . 1 . . . . 21 LEU CA . 16564 1
273 . 1 1 21 21 LEU CB C 13 42.3 0.2 . 1 . . . . 21 LEU CB . 16564 1
274 . 1 1 21 21 LEU CD1 C 13 25.6 0.2 . 1 . . . . 21 LEU CD1 . 16564 1
275 . 1 1 21 21 LEU CD2 C 13 22.9 0.2 . 1 . . . . 21 LEU CD2 . 16564 1
276 . 1 1 21 21 LEU CG C 13 27.3 0.2 . 1 . . . . 21 LEU CG . 16564 1
277 . 1 1 21 21 LEU N N 15 124.6 0.2 . 1 . . . . 21 LEU N . 16564 1
278 . 1 1 22 22 GLN H H 1 8.88 0.02 . 1 . . . . 22 GLN H . 16564 1
279 . 1 1 22 22 GLN HA H 1 4.02 0.02 . 1 . . . . 22 GLN HA . 16564 1
280 . 1 1 22 22 GLN HB2 H 1 2.05 0.02 . 2 . . . . 22 GLN HB2 . 16564 1
281 . 1 1 22 22 GLN HB3 H 1 2.08 0.02 . 2 . . . . 22 GLN HB3 . 16564 1
282 . 1 1 22 22 GLN HE21 H 1 6.88 0.02 . 2 . . . . 22 GLN HE21 . 16564 1
283 . 1 1 22 22 GLN HE22 H 1 7.59 0.02 . 2 . . . . 22 GLN HE22 . 16564 1
284 . 1 1 22 22 GLN HG2 H 1 2.37 0.02 . 2 . . . . 22 GLN HG2 . 16564 1
285 . 1 1 22 22 GLN HG3 H 1 2.40 0.02 . 2 . . . . 22 GLN HG3 . 16564 1
286 . 1 1 22 22 GLN C C 13 176.5 0.2 . 1 . . . . 22 GLN C . 16564 1
287 . 1 1 22 22 GLN CA C 13 58.5 0.2 . 1 . . . . 22 GLN CA . 16564 1
288 . 1 1 22 22 GLN CB C 13 28.3 0.2 . 1 . . . . 22 GLN CB . 16564 1
289 . 1 1 22 22 GLN CD C 13 180.4 0.2 . 1 . . . . 22 GLN CD . 16564 1
290 . 1 1 22 22 GLN CG C 13 33.9 0.2 . 1 . . . . 22 GLN CG . 16564 1
291 . 1 1 22 22 GLN N N 15 121.0 0.2 . 1 . . . . 22 GLN N . 16564 1
292 . 1 1 22 22 GLN NE2 N 15 112.7 0.2 . 1 . . . . 22 GLN NE2 . 16564 1
293 . 1 1 23 23 ASN H H 1 8.12 0.02 . 1 . . . . 23 ASN H . 16564 1
294 . 1 1 23 23 ASN HA H 1 4.59 0.02 . 1 . . . . 23 ASN HA . 16564 1
295 . 1 1 23 23 ASN HB2 H 1 2.81 0.02 . 2 . . . . 23 ASN HB2 . 16564 1
296 . 1 1 23 23 ASN HB3 H 1 3.04 0.02 . 2 . . . . 23 ASN HB3 . 16564 1
297 . 1 1 23 23 ASN HD21 H 1 6.81 0.02 . 2 . . . . 23 ASN HD21 . 16564 1
298 . 1 1 23 23 ASN HD22 H 1 7.51 0.02 . 2 . . . . 23 ASN HD22 . 16564 1
299 . 1 1 23 23 ASN C C 13 175.7 0.2 . 1 . . . . 23 ASN C . 16564 1
300 . 1 1 23 23 ASN CA C 13 53.0 0.2 . 1 . . . . 23 ASN CA . 16564 1
301 . 1 1 23 23 ASN CB C 13 38.0 0.2 . 1 . . . . 23 ASN CB . 16564 1
302 . 1 1 23 23 ASN CG C 13 177.1 0.2 . 1 . . . . 23 ASN CG . 16564 1
303 . 1 1 23 23 ASN N N 15 115.1 0.2 . 1 . . . . 23 ASN N . 16564 1
304 . 1 1 23 23 ASN ND2 N 15 110.9 0.2 . 1 . . . . 23 ASN ND2 . 16564 1
305 . 1 1 24 24 GLY H H 1 8.08 0.02 . 1 . . . . 24 GLY H . 16564 1
306 . 1 1 24 24 GLY HA2 H 1 3.79 0.02 . 2 . . . . 24 GLY HA2 . 16564 1
307 . 1 1 24 24 GLY HA3 H 1 4.10 0.02 . 2 . . . . 24 GLY HA3 . 16564 1
308 . 1 1 24 24 GLY C C 13 173.2 0.2 . 1 . . . . 24 GLY C . 16564 1
309 . 1 1 24 24 GLY CA C 13 44.8 0.2 . 1 . . . . 24 GLY CA . 16564 1
310 . 1 1 24 24 GLY N N 15 108.2 0.2 . 1 . . . . 24 GLY N . 16564 1
311 . 1 1 25 25 ALA H H 1 7.89 0.02 . 1 . . . . 25 ALA H . 16564 1
312 . 1 1 25 25 ALA HA H 1 4.57 0.02 . 1 . . . . 25 ALA HA . 16564 1
313 . 1 1 25 25 ALA HB1 H 1 1.37 0.02 . 1 . . . . 25 ALA HB . 16564 1
314 . 1 1 25 25 ALA HB2 H 1 1.37 0.02 . 1 . . . . 25 ALA HB . 16564 1
315 . 1 1 25 25 ALA HB3 H 1 1.37 0.02 . 1 . . . . 25 ALA HB . 16564 1
316 . 1 1 25 25 ALA CA C 13 50.3 0.2 . 1 . . . . 25 ALA CA . 16564 1
317 . 1 1 25 25 ALA CB C 13 18.4 0.2 . 1 . . . . 25 ALA CB . 16564 1
318 . 1 1 25 25 ALA N N 15 124.8 0.2 . 1 . . . . 25 ALA N . 16564 1
319 . 1 1 26 26 PRO HA H 1 4.96 0.02 . 1 . . . . 26 PRO HA . 16564 1
320 . 1 1 26 26 PRO HB2 H 1 1.66 0.02 . 2 . . . . 26 PRO HB2 . 16564 1
321 . 1 1 26 26 PRO HB3 H 1 2.10 0.02 . 2 . . . . 26 PRO HB3 . 16564 1
322 . 1 1 26 26 PRO HD2 H 1 3.63 0.02 . 2 . . . . 26 PRO HD2 . 16564 1
323 . 1 1 26 26 PRO HD3 H 1 3.81 0.02 . 2 . . . . 26 PRO HD3 . 16564 1
324 . 1 1 26 26 PRO HG2 H 1 1.96 0.02 . 2 . . . . 26 PRO HG2 . 16564 1
325 . 1 1 26 26 PRO HG3 H 1 2.04 0.02 . 2 . . . . 26 PRO HG3 . 16564 1
326 . 1 1 26 26 PRO C C 13 177.2 0.2 . 1 . . . . 26 PRO C . 16564 1
327 . 1 1 26 26 PRO CA C 13 62.3 0.2 . 1 . . . . 26 PRO CA . 16564 1
328 . 1 1 26 26 PRO CB C 13 32.7 0.2 . 1 . . . . 26 PRO CB . 16564 1
329 . 1 1 26 26 PRO CD C 13 50.1 0.2 . 1 . . . . 26 PRO CD . 16564 1
330 . 1 1 26 26 PRO CG C 13 27.5 0.2 . 1 . . . . 26 PRO CG . 16564 1
331 . 1 1 27 27 ARG H H 1 9.12 0.02 . 1 . . . . 27 ARG H . 16564 1
332 . 1 1 27 27 ARG HA H 1 4.41 0.02 . 1 . . . . 27 ARG HA . 16564 1
333 . 1 1 27 27 ARG HB2 H 1 1.44 0.02 . 2 . . . . 27 ARG HB2 . 16564 1
334 . 1 1 27 27 ARG HB3 H 1 1.49 0.02 . 2 . . . . 27 ARG HB3 . 16564 1
335 . 1 1 27 27 ARG HD2 H 1 2.87 0.02 . 2 . . . . 27 ARG HD2 . 16564 1
336 . 1 1 27 27 ARG HD3 H 1 3.05 0.02 . 2 . . . . 27 ARG HD3 . 16564 1
337 . 1 1 27 27 ARG HE H 1 6.99 0.02 . 1 . . . . 27 ARG HE . 16564 1
338 . 1 1 27 27 ARG HG2 H 1 1.04 0.02 . 2 . . . . 27 ARG HG2 . 16564 1
339 . 1 1 27 27 ARG HG3 H 1 1.31 0.02 . 2 . . . . 27 ARG HG3 . 16564 1
340 . 1 1 27 27 ARG C C 13 173.2 0.2 . 1 . . . . 27 ARG C . 16564 1
341 . 1 1 27 27 ARG CA C 13 54.9 0.2 . 1 . . . . 27 ARG CA . 16564 1
342 . 1 1 27 27 ARG CB C 13 32.7 0.2 . 1 . . . . 27 ARG CB . 16564 1
343 . 1 1 27 27 ARG CD C 13 42.7 0.2 . 1 . . . . 27 ARG CD . 16564 1
344 . 1 1 27 27 ARG CG C 13 26.9 0.2 . 1 . . . . 27 ARG CG . 16564 1
345 . 1 1 27 27 ARG CZ C 13 159.3 0.2 . 1 . . . . 27 ARG CZ . 16564 1
346 . 1 1 27 27 ARG N N 15 123.2 0.2 . 1 . . . . 27 ARG N . 16564 1
347 . 1 1 27 27 ARG NE N 15 83.8 0.2 . 1 . . . . 27 ARG NE . 16564 1
348 . 1 1 28 28 ILE H H 1 8.34 0.02 . 1 . . . . 28 ILE H . 16564 1
349 . 1 1 28 28 ILE HA H 1 4.61 0.02 . 1 . . . . 28 ILE HA . 16564 1
350 . 1 1 28 28 ILE HB H 1 1.56 0.02 . 1 . . . . 28 ILE HB . 16564 1
351 . 1 1 28 28 ILE HD11 H 1 0.81 0.02 . 1 . . . . 28 ILE HD1 . 16564 1
352 . 1 1 28 28 ILE HD12 H 1 0.81 0.02 . 1 . . . . 28 ILE HD1 . 16564 1
353 . 1 1 28 28 ILE HD13 H 1 0.81 0.02 . 1 . . . . 28 ILE HD1 . 16564 1
354 . 1 1 28 28 ILE HG12 H 1 1.11 0.02 . 2 . . . . 28 ILE HG12 . 16564 1
355 . 1 1 28 28 ILE HG13 H 1 1.44 0.02 . 2 . . . . 28 ILE HG13 . 16564 1
356 . 1 1 28 28 ILE HG21 H 1 0.78 0.02 . 1 . . . . 28 ILE HG2 . 16564 1
357 . 1 1 28 28 ILE HG22 H 1 0.78 0.02 . 1 . . . . 28 ILE HG2 . 16564 1
358 . 1 1 28 28 ILE HG23 H 1 0.78 0.02 . 1 . . . . 28 ILE HG2 . 16564 1
359 . 1 1 28 28 ILE C C 13 175.5 0.2 . 1 . . . . 28 ILE C . 16564 1
360 . 1 1 28 28 ILE CA C 13 60.9 0.2 . 1 . . . . 28 ILE CA . 16564 1
361 . 1 1 28 28 ILE CB C 13 39.6 0.2 . 1 . . . . 28 ILE CB . 16564 1
362 . 1 1 28 28 ILE CD1 C 13 13.8 0.2 . 1 . . . . 28 ILE CD1 . 16564 1
363 . 1 1 28 28 ILE CG1 C 13 28.3 0.2 . 1 . . . . 28 ILE CG1 . 16564 1
364 . 1 1 28 28 ILE CG2 C 13 18.5 0.2 . 1 . . . . 28 ILE CG2 . 16564 1
365 . 1 1 28 28 ILE N N 15 125.8 0.2 . 1 . . . . 28 ILE N . 16564 1
366 . 1 1 29 29 PHE H H 1 9.58 0.02 . 1 . . . . 29 PHE H . 16564 1
367 . 1 1 29 29 PHE HA H 1 4.62 0.02 . 1 . . . . 29 PHE HA . 16564 1
368 . 1 1 29 29 PHE HB2 H 1 2.84 0.02 . 2 . . . . 29 PHE HB2 . 16564 1
369 . 1 1 29 29 PHE HB3 H 1 3.35 0.02 . 2 . . . . 29 PHE HB3 . 16564 1
370 . 1 1 29 29 PHE HD1 H 1 7.11 0.02 . 3 . . . . 29 PHE HD1 . 16564 1
371 . 1 1 29 29 PHE HE1 H 1 6.94 0.02 . 3 . . . . 29 PHE HE1 . 16564 1
372 . 1 1 29 29 PHE HZ H 1 5.89 0.02 . 1 . . . . 29 PHE HZ . 16564 1
373 . 1 1 29 29 PHE C C 13 175.2 0.2 . 1 . . . . 29 PHE C . 16564 1
374 . 1 1 29 29 PHE CA C 13 57.5 0.2 . 1 . . . . 29 PHE CA . 16564 1
375 . 1 1 29 29 PHE CB C 13 42.0 0.2 . 1 . . . . 29 PHE CB . 16564 1
376 . 1 1 29 29 PHE CD1 C 13 131.2 0.2 . 3 . . . . 29 PHE CD1 . 16564 1
377 . 1 1 29 29 PHE CE1 C 13 131.1 0.2 . 3 . . . . 29 PHE CE1 . 16564 1
378 . 1 1 29 29 PHE CZ C 13 129.0 0.2 . 1 . . . . 29 PHE CZ . 16564 1
379 . 1 1 29 29 PHE N N 15 126.1 0.2 . 1 . . . . 29 PHE N . 16564 1
380 . 1 1 30 30 ASN H H 1 9.26 0.02 . 1 . . . . 30 ASN H . 16564 1
381 . 1 1 30 30 ASN HA H 1 4.99 0.02 . 1 . . . . 30 ASN HA . 16564 1
382 . 1 1 30 30 ASN HB2 H 1 2.73 0.02 . 2 . . . . 30 ASN HB2 . 16564 1
383 . 1 1 30 30 ASN HB3 H 1 2.88 0.02 . 2 . . . . 30 ASN HB3 . 16564 1
384 . 1 1 30 30 ASN HD21 H 1 6.65 0.02 . 2 . . . . 30 ASN HD21 . 16564 1
385 . 1 1 30 30 ASN HD22 H 1 7.93 0.02 . 2 . . . . 30 ASN HD22 . 16564 1
386 . 1 1 30 30 ASN C C 13 174.0 0.2 . 1 . . . . 30 ASN C . 16564 1
387 . 1 1 30 30 ASN CA C 13 53.6 0.2 . 1 . . . . 30 ASN CA . 16564 1
388 . 1 1 30 30 ASN CB C 13 41.2 0.2 . 1 . . . . 30 ASN CB . 16564 1
389 . 1 1 30 30 ASN CG C 13 176.8 0.2 . 1 . . . . 30 ASN CG . 16564 1
390 . 1 1 30 30 ASN N N 15 120.0 0.2 . 1 . . . . 30 ASN N . 16564 1
391 . 1 1 30 30 ASN ND2 N 15 113.6 0.2 . 1 . . . . 30 ASN ND2 . 16564 1
392 . 1 1 31 31 GLY H H 1 6.98 0.02 . 1 . . . . 31 GLY H . 16564 1
393 . 1 1 31 31 GLY HA2 H 1 2.97 0.02 . 2 . . . . 31 GLY HA2 . 16564 1
394 . 1 1 31 31 GLY HA3 H 1 3.72 0.02 . 2 . . . . 31 GLY HA3 . 16564 1
395 . 1 1 31 31 GLY C C 13 170.4 0.2 . 1 . . . . 31 GLY C . 16564 1
396 . 1 1 31 31 GLY CA C 13 44.9 0.2 . 1 . . . . 31 GLY CA . 16564 1
397 . 1 1 31 31 GLY N N 15 107.1 0.2 . 1 . . . . 31 GLY N . 16564 1
398 . 1 1 32 32 VAL H H 1 7.55 0.02 . 1 . . . . 32 VAL H . 16564 1
399 . 1 1 32 32 VAL HA H 1 2.95 0.02 . 1 . . . . 32 VAL HA . 16564 1
400 . 1 1 32 32 VAL HB H 1 1.73 0.02 . 1 . . . . 32 VAL HB . 16564 1
401 . 1 1 32 32 VAL HG11 H 1 0.95 0.02 . 1 . . . . 32 VAL HG1 . 16564 1
402 . 1 1 32 32 VAL HG12 H 1 0.95 0.02 . 1 . . . . 32 VAL HG1 . 16564 1
403 . 1 1 32 32 VAL HG13 H 1 0.95 0.02 . 1 . . . . 32 VAL HG1 . 16564 1
404 . 1 1 32 32 VAL HG21 H 1 1.07 0.02 . 1 . . . . 32 VAL HG2 . 16564 1
405 . 1 1 32 32 VAL HG22 H 1 1.07 0.02 . 1 . . . . 32 VAL HG2 . 16564 1
406 . 1 1 32 32 VAL HG23 H 1 1.07 0.02 . 1 . . . . 32 VAL HG2 . 16564 1
407 . 1 1 32 32 VAL C C 13 177.3 0.2 . 1 . . . . 32 VAL C . 16564 1
408 . 1 1 32 32 VAL CA C 13 65.8 0.2 . 1 . . . . 32 VAL CA . 16564 1
409 . 1 1 32 32 VAL CB C 13 32.8 0.2 . 1 . . . . 32 VAL CB . 16564 1
410 . 1 1 32 32 VAL CG1 C 13 23.9 0.2 . 1 . . . . 32 VAL CG1 . 16564 1
411 . 1 1 32 32 VAL CG2 C 13 24.1 0.2 . 1 . . . . 32 VAL CG2 . 16564 1
412 . 1 1 32 32 VAL N N 15 114.7 0.2 . 1 . . . . 32 VAL N . 16564 1
413 . 1 1 33 33 TYR H H 1 9.61 0.02 . 1 . . . . 33 TYR H . 16564 1
414 . 1 1 33 33 TYR HA H 1 3.96 0.02 . 1 . . . . 33 TYR HA . 16564 1
415 . 1 1 33 33 TYR HB2 H 1 2.89 0.02 . 2 . . . . 33 TYR HB2 . 16564 1
416 . 1 1 33 33 TYR HB3 H 1 2.97 0.02 . 2 . . . . 33 TYR HB3 . 16564 1
417 . 1 1 33 33 TYR HD1 H 1 6.99 0.02 . 3 . . . . 33 TYR HD1 . 16564 1
418 . 1 1 33 33 TYR HE1 H 1 6.82 0.02 . 3 . . . . 33 TYR HE1 . 16564 1
419 . 1 1 33 33 TYR C C 13 177.9 0.2 . 1 . . . . 33 TYR C . 16564 1
420 . 1 1 33 33 TYR CA C 13 63.5 0.2 . 1 . . . . 33 TYR CA . 16564 1
421 . 1 1 33 33 TYR CB C 13 37.3 0.2 . 1 . . . . 33 TYR CB . 16564 1
422 . 1 1 33 33 TYR CD1 C 13 133.1 0.2 . 3 . . . . 33 TYR CD1 . 16564 1
423 . 1 1 33 33 TYR CE1 C 13 118.2 0.2 . 3 . . . . 33 TYR CE1 . 16564 1
424 . 1 1 33 33 TYR N N 15 122.1 0.2 . 1 . . . . 33 TYR N . 16564 1
425 . 1 1 34 34 GLU H H 1 8.89 0.02 . 1 . . . . 34 GLU H . 16564 1
426 . 1 1 34 34 GLU HA H 1 4.06 0.02 . 1 . . . . 34 GLU HA . 16564 1
427 . 1 1 34 34 GLU HB2 H 1 2.12 0.02 . 2 . . . . 34 GLU HB2 . 16564 1
428 . 1 1 34 34 GLU HB3 H 1 2.17 0.02 . 2 . . . . 34 GLU HB3 . 16564 1
429 . 1 1 34 34 GLU HG2 H 1 2.47 0.02 . 2 . . . . 34 GLU HG2 . 16564 1
430 . 1 1 34 34 GLU HG3 H 1 2.50 0.02 . 2 . . . . 34 GLU HG3 . 16564 1
431 . 1 1 34 34 GLU C C 13 179.8 0.2 . 1 . . . . 34 GLU C . 16564 1
432 . 1 1 34 34 GLU CA C 13 59.1 0.2 . 1 . . . . 34 GLU CA . 16564 1
433 . 1 1 34 34 GLU CB C 13 30.0 0.2 . 1 . . . . 34 GLU CB . 16564 1
434 . 1 1 34 34 GLU CG C 13 36.8 0.2 . 1 . . . . 34 GLU CG . 16564 1
435 . 1 1 34 34 GLU N N 15 117.3 0.2 . 1 . . . . 34 GLU N . 16564 1
436 . 1 1 35 35 ALA H H 1 7.11 0.02 . 1 . . . . 35 ALA H . 16564 1
437 . 1 1 35 35 ALA HA H 1 3.57 0.02 . 1 . . . . 35 ALA HA . 16564 1
438 . 1 1 35 35 ALA HB1 H 1 0.60 0.02 . 1 . . . . 35 ALA HB . 16564 1
439 . 1 1 35 35 ALA HB2 H 1 0.60 0.02 . 1 . . . . 35 ALA HB . 16564 1
440 . 1 1 35 35 ALA HB3 H 1 0.60 0.02 . 1 . . . . 35 ALA HB . 16564 1
441 . 1 1 35 35 ALA C C 13 177.7 0.2 . 1 . . . . 35 ALA C . 16564 1
442 . 1 1 35 35 ALA CA C 13 55.4 0.2 . 1 . . . . 35 ALA CA . 16564 1
443 . 1 1 35 35 ALA CB C 13 17.9 0.2 . 1 . . . . 35 ALA CB . 16564 1
444 . 1 1 35 35 ALA N N 15 122.7 0.2 . 1 . . . . 35 ALA N . 16564 1
445 . 1 1 36 36 PHE H H 1 9.09 0.02 . 1 . . . . 36 PHE H . 16564 1
446 . 1 1 36 36 PHE HA H 1 4.13 0.02 . 1 . . . . 36 PHE HA . 16564 1
447 . 1 1 36 36 PHE HB2 H 1 2.86 0.02 . 2 . . . . 36 PHE HB2 . 16564 1
448 . 1 1 36 36 PHE HB3 H 1 3.16 0.02 . 2 . . . . 36 PHE HB3 . 16564 1
449 . 1 1 36 36 PHE HD1 H 1 6.95 0.02 . 3 . . . . 36 PHE HD1 . 16564 1
450 . 1 1 36 36 PHE HE1 H 1 7.22 0.02 . 3 . . . . 36 PHE HE1 . 16564 1
451 . 1 1 36 36 PHE HZ H 1 7.14 0.02 . 1 . . . . 36 PHE HZ . 16564 1
452 . 1 1 36 36 PHE C C 13 177.2 0.2 . 1 . . . . 36 PHE C . 16564 1
453 . 1 1 36 36 PHE CA C 13 60.2 0.2 . 1 . . . . 36 PHE CA . 16564 1
454 . 1 1 36 36 PHE CB C 13 39.8 0.2 . 1 . . . . 36 PHE CB . 16564 1
455 . 1 1 36 36 PHE CD1 C 13 131.3 0.2 . 3 . . . . 36 PHE CD1 . 16564 1
456 . 1 1 36 36 PHE CE1 C 13 131.4 0.2 . 3 . . . . 36 PHE CE1 . 16564 1
457 . 1 1 36 36 PHE CZ C 13 129.7 0.2 . 1 . . . . 36 PHE CZ . 16564 1
458 . 1 1 36 36 PHE N N 15 119.3 0.2 . 1 . . . . 36 PHE N . 16564 1
459 . 1 1 37 37 ASP H H 1 8.27 0.02 . 1 . . . . 37 ASP H . 16564 1
460 . 1 1 37 37 ASP HA H 1 4.07 0.02 . 1 . . . . 37 ASP HA . 16564 1
461 . 1 1 37 37 ASP HB2 H 1 2.49 0.02 . 2 . . . . 37 ASP HB2 . 16564 1
462 . 1 1 37 37 ASP HB3 H 1 2.71 0.02 . 2 . . . . 37 ASP HB3 . 16564 1
463 . 1 1 37 37 ASP C C 13 177.6 0.2 . 1 . . . . 37 ASP C . 16564 1
464 . 1 1 37 37 ASP CA C 13 57.8 0.2 . 1 . . . . 37 ASP CA . 16564 1
465 . 1 1 37 37 ASP CB C 13 42.1 0.2 . 1 . . . . 37 ASP CB . 16564 1
466 . 1 1 37 37 ASP N N 15 119.1 0.2 . 1 . . . . 37 ASP N . 16564 1
467 . 1 1 38 38 PHE H H 1 7.81 0.02 . 1 . . . . 38 PHE H . 16564 1
468 . 1 1 38 38 PHE HA H 1 4.41 0.02 . 1 . . . . 38 PHE HA . 16564 1
469 . 1 1 38 38 PHE HB2 H 1 3.33 0.02 . 2 . . . . 38 PHE HB2 . 16564 1
470 . 1 1 38 38 PHE HB3 H 1 3.59 0.02 . 2 . . . . 38 PHE HB3 . 16564 1
471 . 1 1 38 38 PHE HD1 H 1 7.47 0.02 . 3 . . . . 38 PHE HD1 . 16564 1
472 . 1 1 38 38 PHE HE1 H 1 7.41 0.02 . 3 . . . . 38 PHE HE1 . 16564 1
473 . 1 1 38 38 PHE HZ H 1 7.22 0.02 . 1 . . . . 38 PHE HZ . 16564 1
474 . 1 1 38 38 PHE C C 13 178.2 0.2 . 1 . . . . 38 PHE C . 16564 1
475 . 1 1 38 38 PHE CA C 13 62.1 0.2 . 1 . . . . 38 PHE CA . 16564 1
476 . 1 1 38 38 PHE CB C 13 41.4 0.2 . 1 . . . . 38 PHE CB . 16564 1
477 . 1 1 38 38 PHE CD1 C 13 132.3 0.2 . 3 . . . . 38 PHE CD1 . 16564 1
478 . 1 1 38 38 PHE CE1 C 13 132.0 0.2 . 3 . . . . 38 PHE CE1 . 16564 1
479 . 1 1 38 38 PHE CZ C 13 130.4 0.2 . 1 . . . . 38 PHE CZ . 16564 1
480 . 1 1 38 38 PHE N N 15 121.0 0.2 . 1 . . . . 38 PHE N . 16564 1
481 . 1 1 39 39 LEU H H 1 8.97 0.02 . 1 . . . . 39 LEU H . 16564 1
482 . 1 1 39 39 LEU HA H 1 3.89 0.02 . 1 . . . . 39 LEU HA . 16564 1
483 . 1 1 39 39 LEU HB2 H 1 0.79 0.02 . 2 . . . . 39 LEU HB2 . 16564 1
484 . 1 1 39 39 LEU HB3 H 1 1.99 0.02 . 2 . . . . 39 LEU HB3 . 16564 1
485 . 1 1 39 39 LEU HD11 H 1 0.70 0.02 . 1 . . . . 39 LEU HD1 . 16564 1
486 . 1 1 39 39 LEU HD12 H 1 0.70 0.02 . 1 . . . . 39 LEU HD1 . 16564 1
487 . 1 1 39 39 LEU HD13 H 1 0.70 0.02 . 1 . . . . 39 LEU HD1 . 16564 1
488 . 1 1 39 39 LEU HD21 H 1 0.01 0.02 . 1 . . . . 39 LEU HD2 . 16564 1
489 . 1 1 39 39 LEU HD22 H 1 0.01 0.02 . 1 . . . . 39 LEU HD2 . 16564 1
490 . 1 1 39 39 LEU HD23 H 1 0.01 0.02 . 1 . . . . 39 LEU HD2 . 16564 1
491 . 1 1 39 39 LEU HG H 1 1.92 0.02 . 1 . . . . 39 LEU HG . 16564 1
492 . 1 1 39 39 LEU C C 13 179.2 0.2 . 1 . . . . 39 LEU C . 16564 1
493 . 1 1 39 39 LEU CA C 13 58.0 0.2 . 1 . . . . 39 LEU CA . 16564 1
494 . 1 1 39 39 LEU CB C 13 44.0 0.2 . 1 . . . . 39 LEU CB . 16564 1
495 . 1 1 39 39 LEU CD1 C 13 28.4 0.2 . 1 . . . . 39 LEU CD1 . 16564 1
496 . 1 1 39 39 LEU CD2 C 13 23.4 0.2 . 1 . . . . 39 LEU CD2 . 16564 1
497 . 1 1 39 39 LEU CG C 13 26.9 0.2 . 1 . . . . 39 LEU CG . 16564 1
498 . 1 1 39 39 LEU N N 15 117.8 0.2 . 1 . . . . 39 LEU N . 16564 1
499 . 1 1 40 40 GLN H H 1 7.64 0.02 . 1 . . . . 40 GLN H . 16564 1
500 . 1 1 40 40 GLN HA H 1 3.89 0.02 . 1 . . . . 40 GLN HA . 16564 1
501 . 1 1 40 40 GLN HB2 H 1 1.02 0.02 . 2 . . . . 40 GLN HB2 . 16564 1
502 . 1 1 40 40 GLN HB3 H 1 1.21 0.02 . 2 . . . . 40 GLN HB3 . 16564 1
503 . 1 1 40 40 GLN HE21 H 1 5.82 0.02 . 2 . . . . 40 GLN HE21 . 16564 1
504 . 1 1 40 40 GLN HE22 H 1 6.22 0.02 . 2 . . . . 40 GLN HE22 . 16564 1
505 . 1 1 40 40 GLN HG2 H 1 1.47 0.02 . 2 . . . . 40 GLN HG2 . 16564 1
506 . 1 1 40 40 GLN HG3 H 1 1.58 0.02 . 2 . . . . 40 GLN HG3 . 16564 1
507 . 1 1 40 40 GLN C C 13 177.7 0.2 . 1 . . . . 40 GLN C . 16564 1
508 . 1 1 40 40 GLN CA C 13 58.1 0.2 . 1 . . . . 40 GLN CA . 16564 1
509 . 1 1 40 40 GLN CB C 13 30.7 0.2 . 1 . . . . 40 GLN CB . 16564 1
510 . 1 1 40 40 GLN CD C 13 179.4 0.2 . 1 . . . . 40 GLN CD . 16564 1
511 . 1 1 40 40 GLN CG C 13 34.4 0.2 . 1 . . . . 40 GLN CG . 16564 1
512 . 1 1 40 40 GLN N N 15 114.3 0.2 . 1 . . . . 40 GLN N . 16564 1
513 . 1 1 40 40 GLN NE2 N 15 110.3 0.2 . 1 . . . . 40 GLN NE2 . 16564 1
514 . 1 1 41 41 HIS H H 1 7.78 0.02 . 1 . . . . 41 HIS H . 16564 1
515 . 1 1 41 41 HIS HA H 1 4.91 0.02 . 1 . . . . 41 HIS HA . 16564 1
516 . 1 1 41 41 HIS HB2 H 1 3.06 0.02 . 2 . . . . 41 HIS HB2 . 16564 1
517 . 1 1 41 41 HIS HB3 H 1 3.22 0.02 . 2 . . . . 41 HIS HB3 . 16564 1
518 . 1 1 41 41 HIS HD2 H 1 7.17 0.02 . 1 . . . . 41 HIS HD2 . 16564 1
519 . 1 1 41 41 HIS C C 13 176.2 0.2 . 1 . . . . 41 HIS C . 16564 1
520 . 1 1 41 41 HIS CA C 13 57.9 0.2 . 1 . . . . 41 HIS CA . 16564 1
521 . 1 1 41 41 HIS CB C 13 32.5 0.2 . 1 . . . . 41 HIS CB . 16564 1
522 . 1 1 41 41 HIS CD2 C 13 122.4 0.2 . 1 . . . . 41 HIS CD2 . 16564 1
523 . 1 1 41 41 HIS N N 15 113.5 0.2 . 1 . . . . 41 HIS N . 16564 1
524 . 1 1 42 42 GLU H H 1 8.40 0.02 . 1 . . . . 42 GLU H . 16564 1
525 . 1 1 42 42 GLU HA H 1 4.55 0.02 . 1 . . . . 42 GLU HA . 16564 1
526 . 1 1 42 42 GLU HB2 H 1 1.31 0.02 . 2 . . . . 42 GLU HB2 . 16564 1
527 . 1 1 42 42 GLU HB3 H 1 2.09 0.02 . 2 . . . . 42 GLU HB3 . 16564 1
528 . 1 1 42 42 GLU HG2 H 1 2.10 0.02 . 2 . . . . 42 GLU HG2 . 16564 1
529 . 1 1 42 42 GLU HG3 H 1 2.12 0.02 . 2 . . . . 42 GLU HG3 . 16564 1
530 . 1 1 42 42 GLU C C 13 174.3 0.2 . 1 . . . . 42 GLU C . 16564 1
531 . 1 1 42 42 GLU CA C 13 55.1 0.2 . 1 . . . . 42 GLU CA . 16564 1
532 . 1 1 42 42 GLU CB C 13 32.6 0.2 . 1 . . . . 42 GLU CB . 16564 1
533 . 1 1 42 42 GLU CG C 13 37.5 0.2 . 1 . . . . 42 GLU CG . 16564 1
534 . 1 1 42 42 GLU N N 15 119.4 0.2 . 1 . . . . 42 GLU N . 16564 1
535 . 1 1 43 43 TRP H H 1 7.51 0.02 . 1 . . . . 43 TRP H . 16564 1
536 . 1 1 43 43 TRP HA H 1 4.39 0.02 . 1 . . . . 43 TRP HA . 16564 1
537 . 1 1 43 43 TRP HB2 H 1 2.99 0.02 . 2 . . . . 43 TRP HB2 . 16564 1
538 . 1 1 43 43 TRP HB3 H 1 3.39 0.02 . 2 . . . . 43 TRP HB3 . 16564 1
539 . 1 1 43 43 TRP HD1 H 1 6.76 0.02 . 1 . . . . 43 TRP HD1 . 16564 1
540 . 1 1 43 43 TRP HE1 H 1 10.60 0.02 . 1 . . . . 43 TRP HE1 . 16564 1
541 . 1 1 43 43 TRP HE3 H 1 7.53 0.02 . 1 . . . . 43 TRP HE3 . 16564 1
542 . 1 1 43 43 TRP HH2 H 1 6.83 0.02 . 1 . . . . 43 TRP HH2 . 16564 1
543 . 1 1 43 43 TRP HZ2 H 1 7.19 0.02 . 1 . . . . 43 TRP HZ2 . 16564 1
544 . 1 1 43 43 TRP HZ3 H 1 7.06 0.02 . 1 . . . . 43 TRP HZ3 . 16564 1
545 . 1 1 43 43 TRP CA C 13 54.7 0.2 . 1 . . . . 43 TRP CA . 16564 1
546 . 1 1 43 43 TRP CB C 13 30.8 0.2 . 1 . . . . 43 TRP CB . 16564 1
547 . 1 1 43 43 TRP CD1 C 13 126.9 0.2 . 1 . . . . 43 TRP CD1 . 16564 1
548 . 1 1 43 43 TRP CE3 C 13 120.3 0.2 . 1 . . . . 43 TRP CE3 . 16564 1
549 . 1 1 43 43 TRP CH2 C 13 124.9 0.2 . 1 . . . . 43 TRP CH2 . 16564 1
550 . 1 1 43 43 TRP CZ2 C 13 114.9 0.2 . 1 . . . . 43 TRP CZ2 . 16564 1
551 . 1 1 43 43 TRP CZ3 C 13 122.2 0.2 . 1 . . . . 43 TRP CZ3 . 16564 1
552 . 1 1 43 43 TRP N N 15 123.4 0.2 . 1 . . . . 43 TRP N . 16564 1
553 . 1 1 43 43 TRP NE1 N 15 129.7 0.2 . 1 . . . . 43 TRP NE1 . 16564 1
554 . 1 1 44 44 PRO HA H 1 4.34 0.02 . 1 . . . . 44 PRO HA . 16564 1
555 . 1 1 44 44 PRO HB2 H 1 1.91 0.02 . 2 . . . . 44 PRO HB2 . 16564 1
556 . 1 1 44 44 PRO HB3 H 1 1.97 0.02 . 2 . . . . 44 PRO HB3 . 16564 1
557 . 1 1 44 44 PRO HD2 H 1 2.11 0.02 . 2 . . . . 44 PRO HD2 . 16564 1
558 . 1 1 44 44 PRO HD3 H 1 3.28 0.02 . 2 . . . . 44 PRO HD3 . 16564 1
559 . 1 1 44 44 PRO HG2 H 1 1.14 0.02 . 2 . . . . 44 PRO HG2 . 16564 1
560 . 1 1 44 44 PRO HG3 H 1 1.16 0.02 . 2 . . . . 44 PRO HG3 . 16564 1
561 . 1 1 44 44 PRO C C 13 174.7 0.2 . 1 . . . . 44 PRO C . 16564 1
562 . 1 1 44 44 PRO CA C 13 63.8 0.2 . 1 . . . . 44 PRO CA . 16564 1
563 . 1 1 44 44 PRO CB C 13 31.5 0.2 . 1 . . . . 44 PRO CB . 16564 1
564 . 1 1 44 44 PRO CD C 13 50.2 0.2 . 1 . . . . 44 PRO CD . 16564 1
565 . 1 1 44 44 PRO CG C 13 26.8 0.2 . 1 . . . . 44 PRO CG . 16564 1
566 . 1 1 45 45 ALA H H 1 6.60 0.02 . 1 . . . . 45 ALA H . 16564 1
567 . 1 1 45 45 ALA HA H 1 4.56 0.02 . 1 . . . . 45 ALA HA . 16564 1
568 . 1 1 45 45 ALA HB1 H 1 1.25 0.02 . 1 . . . . 45 ALA HB . 16564 1
569 . 1 1 45 45 ALA HB2 H 1 1.25 0.02 . 1 . . . . 45 ALA HB . 16564 1
570 . 1 1 45 45 ALA HB3 H 1 1.25 0.02 . 1 . . . . 45 ALA HB . 16564 1
571 . 1 1 45 45 ALA C C 13 175.9 0.2 . 1 . . . . 45 ALA C . 16564 1
572 . 1 1 45 45 ALA CA C 13 50.6 0.2 . 1 . . . . 45 ALA CA . 16564 1
573 . 1 1 45 45 ALA CB C 13 21.4 0.2 . 1 . . . . 45 ALA CB . 16564 1
574 . 1 1 45 45 ALA N N 15 122.5 0.2 . 1 . . . . 45 ALA N . 16564 1
575 . 1 1 46 46 ARG H H 1 8.31 0.02 . 1 . . . . 46 ARG H . 16564 1
576 . 1 1 46 46 ARG HA H 1 4.04 0.02 . 1 . . . . 46 ARG HA . 16564 1
577 . 1 1 46 46 ARG HB2 H 1 1.72 0.02 . 2 . . . . 46 ARG HB2 . 16564 1
578 . 1 1 46 46 ARG HB3 H 1 1.77 0.02 . 2 . . . . 46 ARG HB3 . 16564 1
579 . 1 1 46 46 ARG HG2 H 1 1.56 0.02 . 2 . . . . 46 ARG HG2 . 16564 1
580 . 1 1 46 46 ARG HG3 H 1 1.66 0.02 . 2 . . . . 46 ARG HG3 . 16564 1
581 . 1 1 46 46 ARG C C 13 177.4 0.2 . 1 . . . . 46 ARG C . 16564 1
582 . 1 1 46 46 ARG CA C 13 56.6 0.2 . 1 . . . . 46 ARG CA . 16564 1
583 . 1 1 46 46 ARG CB C 13 30.4 0.2 . 1 . . . . 46 ARG CB . 16564 1
584 . 1 1 46 46 ARG CD C 13 43.4 0.2 . 1 . . . . 46 ARG CD . 16564 1
585 . 1 1 46 46 ARG CG C 13 27.2 0.2 . 1 . . . . 46 ARG CG . 16564 1
586 . 1 1 46 46 ARG N N 15 120.0 0.2 . 1 . . . . 46 ARG N . 16564 1
587 . 1 1 47 47 GLY H H 1 8.80 0.02 . 1 . . . . 47 GLY H . 16564 1
588 . 1 1 47 47 GLY HA2 H 1 3.69 0.02 . 2 . . . . 47 GLY HA2 . 16564 1
589 . 1 1 47 47 GLY HA3 H 1 3.82 0.02 . 2 . . . . 47 GLY HA3 . 16564 1
590 . 1 1 47 47 GLY C C 13 173.6 0.2 . 1 . . . . 47 GLY C . 16564 1
591 . 1 1 47 47 GLY CA C 13 46.2 0.2 . 1 . . . . 47 GLY CA . 16564 1
592 . 1 1 47 47 GLY N N 15 112.2 0.2 . 1 . . . . 47 GLY N . 16564 1
593 . 1 1 48 48 ASP H H 1 7.88 0.02 . 1 . . . . 48 ASP H . 16564 1
594 . 1 1 48 48 ASP HA H 1 4.78 0.02 . 1 . . . . 48 ASP HA . 16564 1
595 . 1 1 48 48 ASP HB2 H 1 2.82 0.02 . 2 . . . . 48 ASP HB2 . 16564 1
596 . 1 1 48 48 ASP HB3 H 1 3.08 0.02 . 2 . . . . 48 ASP HB3 . 16564 1
597 . 1 1 48 48 ASP CA C 13 53.0 0.2 . 1 . . . . 48 ASP CA . 16564 1
598 . 1 1 48 48 ASP CB C 13 42.6 0.2 . 1 . . . . 48 ASP CB . 16564 1
599 . 1 1 48 48 ASP N N 15 123.5 0.2 . 1 . . . . 48 ASP N . 16564 1
600 . 1 1 49 49 ARG HA H 1 4.14 0.02 . 1 . . . . 49 ARG HA . 16564 1
601 . 1 1 49 49 ARG HB2 H 1 1.86 0.02 . 2 . . . . 49 ARG HB2 . 16564 1
602 . 1 1 49 49 ARG HB3 H 1 1.91 0.02 . 2 . . . . 49 ARG HB3 . 16564 1
603 . 1 1 49 49 ARG C C 13 178.4 0.2 . 1 . . . . 49 ARG C . 16564 1
604 . 1 1 49 49 ARG CA C 13 59.3 0.2 . 1 . . . . 49 ARG CA . 16564 1
605 . 1 1 49 49 ARG CB C 13 29.7 0.2 . 1 . . . . 49 ARG CB . 16564 1
606 . 1 1 49 49 ARG CD C 13 43.0 0.2 . 1 . . . . 49 ARG CD . 16564 1
607 . 1 1 49 49 ARG CG C 13 26.9 0.2 . 1 . . . . 49 ARG CG . 16564 1
608 . 1 1 50 50 ALA H H 1 8.33 0.02 . 1 . . . . 50 ALA H . 16564 1
609 . 1 1 50 50 ALA HA H 1 4.15 0.02 . 1 . . . . 50 ALA HA . 16564 1
610 . 1 1 50 50 ALA HB1 H 1 1.44 0.02 . 1 . . . . 50 ALA HB . 16564 1
611 . 1 1 50 50 ALA HB2 H 1 1.44 0.02 . 1 . . . . 50 ALA HB . 16564 1
612 . 1 1 50 50 ALA HB3 H 1 1.44 0.02 . 1 . . . . 50 ALA HB . 16564 1
613 . 1 1 50 50 ALA C C 13 181.0 0.2 . 1 . . . . 50 ALA C . 16564 1
614 . 1 1 50 50 ALA CA C 13 55.2 0.2 . 1 . . . . 50 ALA CA . 16564 1
615 . 1 1 50 50 ALA CB C 13 17.7 0.2 . 1 . . . . 50 ALA CB . 16564 1
616 . 1 1 50 50 ALA N N 15 121.8 0.2 . 1 . . . . 50 ALA N . 16564 1
617 . 1 1 51 51 HIS H H 1 8.37 0.02 . 1 . . . . 51 HIS H . 16564 1
618 . 1 1 51 51 HIS HA H 1 3.58 0.02 . 1 . . . . 51 HIS HA . 16564 1
619 . 1 1 51 51 HIS HB2 H 1 3.17 0.02 . 2 . . . . 51 HIS HB2 . 16564 1
620 . 1 1 51 51 HIS HB3 H 1 3.32 0.02 . 2 . . . . 51 HIS HB3 . 16564 1
621 . 1 1 51 51 HIS HE1 H 1 7.49 0.02 . 1 . . . . 51 HIS HE1 . 16564 1
622 . 1 1 51 51 HIS C C 13 175.8 0.2 . 1 . . . . 51 HIS C . 16564 1
623 . 1 1 51 51 HIS CA C 13 61.0 0.2 . 1 . . . . 51 HIS CA . 16564 1
624 . 1 1 51 51 HIS CB C 13 31.3 0.2 . 1 . . . . 51 HIS CB . 16564 1
625 . 1 1 51 51 HIS CE1 C 13 138.2 0.2 . 1 . . . . 51 HIS CE1 . 16564 1
626 . 1 1 51 51 HIS N N 15 123.0 0.2 . 1 . . . . 51 HIS N . 16564 1
627 . 1 1 52 52 GLU H H 1 8.02 0.02 . 1 . . . . 52 GLU H . 16564 1
628 . 1 1 52 52 GLU HA H 1 3.69 0.02 . 1 . . . . 52 GLU HA . 16564 1
629 . 1 1 52 52 GLU HB2 H 1 2.11 0.02 . 2 . . . . 52 GLU HB2 . 16564 1
630 . 1 1 52 52 GLU HB3 H 1 2.17 0.02 . 2 . . . . 52 GLU HB3 . 16564 1
631 . 1 1 52 52 GLU HG2 H 1 2.18 0.02 . 2 . . . . 52 GLU HG2 . 16564 1
632 . 1 1 52 52 GLU HG3 H 1 2.34 0.02 . 2 . . . . 52 GLU HG3 . 16564 1
633 . 1 1 52 52 GLU C C 13 179.4 0.2 . 1 . . . . 52 GLU C . 16564 1
634 . 1 1 52 52 GLU CA C 13 59.5 0.2 . 1 . . . . 52 GLU CA . 16564 1
635 . 1 1 52 52 GLU CB C 13 29.4 0.2 . 1 . . . . 52 GLU CB . 16564 1
636 . 1 1 52 52 GLU CG C 13 36.0 0.2 . 1 . . . . 52 GLU CG . 16564 1
637 . 1 1 52 52 GLU N N 15 119.2 0.2 . 1 . . . . 52 GLU N . 16564 1
638 . 1 1 53 53 GLN H H 1 8.23 0.02 . 1 . . . . 53 GLN H . 16564 1
639 . 1 1 53 53 GLN HA H 1 4.04 0.02 . 1 . . . . 53 GLN HA . 16564 1
640 . 1 1 53 53 GLN HB2 H 1 2.02 0.02 . 2 . . . . 53 GLN HB2 . 16564 1
641 . 1 1 53 53 GLN HB3 H 1 2.10 0.02 . 2 . . . . 53 GLN HB3 . 16564 1
642 . 1 1 53 53 GLN HE21 H 1 6.88 0.02 . 2 . . . . 53 GLN HE21 . 16564 1
643 . 1 1 53 53 GLN HE22 H 1 7.45 0.02 . 2 . . . . 53 GLN HE22 . 16564 1
644 . 1 1 53 53 GLN HG2 H 1 2.37 0.02 . 2 . . . . 53 GLN HG2 . 16564 1
645 . 1 1 53 53 GLN HG3 H 1 2.39 0.02 . 2 . . . . 53 GLN HG3 . 16564 1
646 . 1 1 53 53 GLN C C 13 177.5 0.2 . 1 . . . . 53 GLN C . 16564 1
647 . 1 1 53 53 GLN CA C 13 58.6 0.2 . 1 . . . . 53 GLN CA . 16564 1
648 . 1 1 53 53 GLN CB C 13 28.7 0.2 . 1 . . . . 53 GLN CB . 16564 1
649 . 1 1 53 53 GLN CD C 13 179.8 0.2 . 1 . . . . 53 GLN CD . 16564 1
650 . 1 1 53 53 GLN CG C 13 33.8 0.2 . 1 . . . . 53 GLN CG . 16564 1
651 . 1 1 53 53 GLN N N 15 118.0 0.2 . 1 . . . . 53 GLN N . 16564 1
652 . 1 1 53 53 GLN NE2 N 15 111.9 0.2 . 1 . . . . 53 GLN NE2 . 16564 1
653 . 1 1 54 54 ALA H H 1 7.94 0.02 . 1 . . . . 54 ALA H . 16564 1
654 . 1 1 54 54 ALA HA H 1 3.98 0.02 . 1 . . . . 54 ALA HA . 16564 1
655 . 1 1 54 54 ALA HB1 H 1 1.27 0.02 . 1 . . . . 54 ALA HB . 16564 1
656 . 1 1 54 54 ALA HB2 H 1 1.27 0.02 . 1 . . . . 54 ALA HB . 16564 1
657 . 1 1 54 54 ALA HB3 H 1 1.27 0.02 . 1 . . . . 54 ALA HB . 16564 1
658 . 1 1 54 54 ALA C C 13 179.2 0.2 . 1 . . . . 54 ALA C . 16564 1
659 . 1 1 54 54 ALA CA C 13 55.3 0.2 . 1 . . . . 54 ALA CA . 16564 1
660 . 1 1 54 54 ALA CB C 13 17.8 0.2 . 1 . . . . 54 ALA CB . 16564 1
661 . 1 1 54 54 ALA N N 15 120.9 0.2 . 1 . . . . 54 ALA N . 16564 1
662 . 1 1 55 55 LEU H H 1 8.36 0.02 . 1 . . . . 55 LEU H . 16564 1
663 . 1 1 55 55 LEU HA H 1 3.75 0.02 . 1 . . . . 55 LEU HA . 16564 1
664 . 1 1 55 55 LEU HB2 H 1 1.47 0.02 . 2 . . . . 55 LEU HB2 . 16564 1
665 . 1 1 55 55 LEU HB3 H 1 1.51 0.02 . 2 . . . . 55 LEU HB3 . 16564 1
666 . 1 1 55 55 LEU HD11 H 1 0.52 0.02 . 1 . . . . 55 LEU HD1 . 16564 1
667 . 1 1 55 55 LEU HD12 H 1 0.52 0.02 . 1 . . . . 55 LEU HD1 . 16564 1
668 . 1 1 55 55 LEU HD13 H 1 0.52 0.02 . 1 . . . . 55 LEU HD1 . 16564 1
669 . 1 1 55 55 LEU HD21 H 1 0.61 0.02 . 1 . . . . 55 LEU HD2 . 16564 1
670 . 1 1 55 55 LEU HD22 H 1 0.61 0.02 . 1 . . . . 55 LEU HD2 . 16564 1
671 . 1 1 55 55 LEU HD23 H 1 0.61 0.02 . 1 . . . . 55 LEU HD2 . 16564 1
672 . 1 1 55 55 LEU HG H 1 1.17 0.02 . 1 . . . . 55 LEU HG . 16564 1
673 . 1 1 55 55 LEU C C 13 178.5 0.2 . 1 . . . . 55 LEU C . 16564 1
674 . 1 1 55 55 LEU CA C 13 59.0 0.2 . 1 . . . . 55 LEU CA . 16564 1
675 . 1 1 55 55 LEU CB C 13 42.4 0.2 . 1 . . . . 55 LEU CB . 16564 1
676 . 1 1 55 55 LEU CD1 C 13 26.0 0.2 . 1 . . . . 55 LEU CD1 . 16564 1
677 . 1 1 55 55 LEU CD2 C 13 26.0 0.2 . 1 . . . . 55 LEU CD2 . 16564 1
678 . 1 1 55 55 LEU CG C 13 26.9 0.2 . 1 . . . . 55 LEU CG . 16564 1
679 . 1 1 55 55 LEU N N 15 120.5 0.2 . 1 . . . . 55 LEU N . 16564 1
680 . 1 1 56 56 ARG H H 1 7.90 0.02 . 1 . . . . 56 ARG H . 16564 1
681 . 1 1 56 56 ARG HA H 1 3.91 0.02 . 1 . . . . 56 ARG HA . 16564 1
682 . 1 1 56 56 ARG HB2 H 1 1.87 0.02 . 2 . . . . 56 ARG HB2 . 16564 1
683 . 1 1 56 56 ARG HB3 H 1 1.90 0.02 . 2 . . . . 56 ARG HB3 . 16564 1
684 . 1 1 56 56 ARG HG2 H 1 1.50 0.02 . 2 . . . . 56 ARG HG2 . 16564 1
685 . 1 1 56 56 ARG HG3 H 1 1.71 0.02 . 2 . . . . 56 ARG HG3 . 16564 1
686 . 1 1 56 56 ARG C C 13 179.9 0.2 . 1 . . . . 56 ARG C . 16564 1
687 . 1 1 56 56 ARG CA C 13 59.4 0.2 . 1 . . . . 56 ARG CA . 16564 1
688 . 1 1 56 56 ARG CB C 13 30.3 0.2 . 1 . . . . 56 ARG CB . 16564 1
689 . 1 1 56 56 ARG CD C 13 43.1 0.2 . 1 . . . . 56 ARG CD . 16564 1
690 . 1 1 56 56 ARG CG C 13 27.5 0.2 . 1 . . . . 56 ARG CG . 16564 1
691 . 1 1 56 56 ARG N N 15 118.0 0.2 . 1 . . . . 56 ARG N . 16564 1
692 . 1 1 57 57 LEU H H 1 8.53 0.02 . 1 . . . . 57 LEU H . 16564 1
693 . 1 1 57 57 LEU HA H 1 4.15 0.02 . 1 . . . . 57 LEU HA . 16564 1
694 . 1 1 57 57 LEU HB2 H 1 1.09 0.02 . 2 . . . . 57 LEU HB2 . 16564 1
695 . 1 1 57 57 LEU HB3 H 1 1.81 0.02 . 2 . . . . 57 LEU HB3 . 16564 1
696 . 1 1 57 57 LEU HD11 H 1 0.77 0.02 . 1 . . . . 57 LEU HD1 . 16564 1
697 . 1 1 57 57 LEU HD12 H 1 0.77 0.02 . 1 . . . . 57 LEU HD1 . 16564 1
698 . 1 1 57 57 LEU HD13 H 1 0.77 0.02 . 1 . . . . 57 LEU HD1 . 16564 1
699 . 1 1 57 57 LEU HD21 H 1 0.81 0.02 . 1 . . . . 57 LEU HD2 . 16564 1
700 . 1 1 57 57 LEU HD22 H 1 0.81 0.02 . 1 . . . . 57 LEU HD2 . 16564 1
701 . 1 1 57 57 LEU HD23 H 1 0.81 0.02 . 1 . . . . 57 LEU HD2 . 16564 1
702 . 1 1 57 57 LEU HG H 1 1.74 0.02 . 1 . . . . 57 LEU HG . 16564 1
703 . 1 1 57 57 LEU C C 13 179.4 0.2 . 1 . . . . 57 LEU C . 16564 1
704 . 1 1 57 57 LEU CA C 13 57.7 0.2 . 1 . . . . 57 LEU CA . 16564 1
705 . 1 1 57 57 LEU CB C 13 41.9 0.2 . 1 . . . . 57 LEU CB . 16564 1
706 . 1 1 57 57 LEU CD1 C 13 26.2 0.2 . 1 . . . . 57 LEU CD1 . 16564 1
707 . 1 1 57 57 LEU CD2 C 13 22.9 0.2 . 1 . . . . 57 LEU CD2 . 16564 1
708 . 1 1 57 57 LEU CG C 13 27.7 0.2 . 1 . . . . 57 LEU CG . 16564 1
709 . 1 1 57 57 LEU N N 15 119.6 0.2 . 1 . . . . 57 LEU N . 16564 1
710 . 1 1 58 58 CYS H H 1 8.60 0.02 . 1 . . . . 58 CYS H . 16564 1
711 . 1 1 58 58 CYS HA H 1 4.06 0.02 . 1 . . . . 58 CYS HA . 16564 1
712 . 1 1 58 58 CYS HB2 H 1 2.29 0.02 . 2 . . . . 58 CYS HB2 . 16564 1
713 . 1 1 58 58 CYS HB3 H 1 3.21 0.02 . 2 . . . . 58 CYS HB3 . 16564 1
714 . 1 1 58 58 CYS C C 13 176.2 0.2 . 1 . . . . 58 CYS C . 16564 1
715 . 1 1 58 58 CYS CA C 13 64.9 0.2 . 1 . . . . 58 CYS CA . 16564 1
716 . 1 1 58 58 CYS CB C 13 27.4 0.2 . 1 . . . . 58 CYS CB . 16564 1
717 . 1 1 58 58 CYS N N 15 117.2 0.2 . 1 . . . . 58 CYS N . 16564 1
718 . 1 1 59 59 ARG H H 1 7.84 0.02 . 1 . . . . 59 ARG H . 16564 1
719 . 1 1 59 59 ARG HA H 1 3.10 0.02 . 1 . . . . 59 ARG HA . 16564 1
720 . 1 1 59 59 ARG HB2 H 1 1.72 0.02 . 2 . . . . 59 ARG HB2 . 16564 1
721 . 1 1 59 59 ARG HB3 H 1 1.76 0.02 . 2 . . . . 59 ARG HB3 . 16564 1
722 . 1 1 59 59 ARG HG2 H 1 1.35 0.02 . 2 . . . . 59 ARG HG2 . 16564 1
723 . 1 1 59 59 ARG HG3 H 1 1.38 0.02 . 2 . . . . 59 ARG HG3 . 16564 1
724 . 1 1 59 59 ARG C C 13 177.5 0.2 . 1 . . . . 59 ARG C . 16564 1
725 . 1 1 59 59 ARG CA C 13 59.9 0.2 . 1 . . . . 59 ARG CA . 16564 1
726 . 1 1 59 59 ARG CB C 13 29.7 0.2 . 1 . . . . 59 ARG CB . 16564 1
727 . 1 1 59 59 ARG CD C 13 42.8 0.2 . 1 . . . . 59 ARG CD . 16564 1
728 . 1 1 59 59 ARG CG C 13 27.5 0.2 . 1 . . . . 59 ARG CG . 16564 1
729 . 1 1 59 59 ARG N N 15 119.7 0.2 . 1 . . . . 59 ARG N . 16564 1
730 . 1 1 60 60 ALA H H 1 7.92 0.02 . 1 . . . . 60 ALA H . 16564 1
731 . 1 1 60 60 ALA HA H 1 4.15 0.02 . 1 . . . . 60 ALA HA . 16564 1
732 . 1 1 60 60 ALA HB1 H 1 1.44 0.02 . 1 . . . . 60 ALA HB . 16564 1
733 . 1 1 60 60 ALA HB2 H 1 1.44 0.02 . 1 . . . . 60 ALA HB . 16564 1
734 . 1 1 60 60 ALA HB3 H 1 1.44 0.02 . 1 . . . . 60 ALA HB . 16564 1
735 . 1 1 60 60 ALA C C 13 180.1 0.2 . 1 . . . . 60 ALA C . 16564 1
736 . 1 1 60 60 ALA CA C 13 54.6 0.2 . 1 . . . . 60 ALA CA . 16564 1
737 . 1 1 60 60 ALA CB C 13 19.0 0.2 . 1 . . . . 60 ALA CB . 16564 1
738 . 1 1 60 60 ALA N N 15 118.2 0.2 . 1 . . . . 60 ALA N . 16564 1
739 . 1 1 61 61 SER H H 1 8.14 0.02 . 1 . . . . 61 SER H . 16564 1
740 . 1 1 61 61 SER HA H 1 4.75 0.02 . 1 . . . . 61 SER HA . 16564 1
741 . 1 1 61 61 SER HB2 H 1 3.81 0.02 . 2 . . . . 61 SER HB2 . 16564 1
742 . 1 1 61 61 SER HB3 H 1 3.89 0.02 . 2 . . . . 61 SER HB3 . 16564 1
743 . 1 1 61 61 SER C C 13 179.4 0.2 . 1 . . . . 61 SER C . 16564 1
744 . 1 1 61 61 SER CA C 13 61.0 0.2 . 1 . . . . 61 SER CA . 16564 1
745 . 1 1 61 61 SER CB C 13 64.3 0.2 . 1 . . . . 61 SER CB . 16564 1
746 . 1 1 61 61 SER N N 15 115.0 0.2 . 1 . . . . 61 SER N . 16564 1
747 . 1 1 62 62 LEU H H 1 7.85 0.02 . 1 . . . . 62 LEU H . 16564 1
748 . 1 1 62 62 LEU HA H 1 4.13 0.02 . 1 . . . . 62 LEU HA . 16564 1
749 . 1 1 62 62 LEU HB2 H 1 1.38 0.02 . 2 . . . . 62 LEU HB2 . 16564 1
750 . 1 1 62 62 LEU HB3 H 1 1.82 0.02 . 2 . . . . 62 LEU HB3 . 16564 1
751 . 1 1 62 62 LEU HD11 H 1 0.42 0.02 . 1 . . . . 62 LEU HD1 . 16564 1
752 . 1 1 62 62 LEU HD12 H 1 0.42 0.02 . 1 . . . . 62 LEU HD1 . 16564 1
753 . 1 1 62 62 LEU HD13 H 1 0.42 0.02 . 1 . . . . 62 LEU HD1 . 16564 1
754 . 1 1 62 62 LEU HD21 H 1 0.77 0.02 . 1 . . . . 62 LEU HD2 . 16564 1
755 . 1 1 62 62 LEU HD22 H 1 0.77 0.02 . 1 . . . . 62 LEU HD2 . 16564 1
756 . 1 1 62 62 LEU HD23 H 1 0.77 0.02 . 1 . . . . 62 LEU HD2 . 16564 1
757 . 1 1 62 62 LEU HG H 1 1.69 0.02 . 1 . . . . 62 LEU HG . 16564 1
758 . 1 1 62 62 LEU C C 13 178.0 0.2 . 1 . . . . 62 LEU C . 16564 1
759 . 1 1 62 62 LEU CA C 13 57.4 0.2 . 1 . . . . 62 LEU CA . 16564 1
760 . 1 1 62 62 LEU CB C 13 41.2 0.2 . 1 . . . . 62 LEU CB . 16564 1
761 . 1 1 62 62 LEU CD1 C 13 26.2 0.2 . 1 . . . . 62 LEU CD1 . 16564 1
762 . 1 1 62 62 LEU CD2 C 13 22.8 0.2 . 1 . . . . 62 LEU CD2 . 16564 1
763 . 1 1 62 62 LEU CG C 13 26.6 0.2 . 1 . . . . 62 LEU CG . 16564 1
764 . 1 1 62 62 LEU N N 15 121.8 0.2 . 1 . . . . 62 LEU N . 16564 1
765 . 1 1 63 63 MET H H 1 7.49 0.02 . 1 . . . . 63 MET H . 16564 1
766 . 1 1 63 63 MET HA H 1 4.49 0.02 . 1 . . . . 63 MET HA . 16564 1
767 . 1 1 63 63 MET HB2 H 1 2.04 0.02 . 2 . . . . 63 MET HB2 . 16564 1
768 . 1 1 63 63 MET HB3 H 1 2.27 0.02 . 2 . . . . 63 MET HB3 . 16564 1
769 . 1 1 63 63 MET HE1 H 1 2.04 0.02 . 1 . . . . 63 MET HE . 16564 1
770 . 1 1 63 63 MET HE2 H 1 2.04 0.02 . 1 . . . . 63 MET HE . 16564 1
771 . 1 1 63 63 MET HE3 H 1 2.04 0.02 . 1 . . . . 63 MET HE . 16564 1
772 . 1 1 63 63 MET HG2 H 1 2.54 0.02 . 2 . . . . 63 MET HG2 . 16564 1
773 . 1 1 63 63 MET HG3 H 1 2.64 0.02 . 2 . . . . 63 MET HG3 . 16564 1
774 . 1 1 63 63 MET C C 13 176.5 0.2 . 1 . . . . 63 MET C . 16564 1
775 . 1 1 63 63 MET CA C 13 55.3 0.2 . 1 . . . . 63 MET CA . 16564 1
776 . 1 1 63 63 MET CB C 13 32.6 0.2 . 1 . . . . 63 MET CB . 16564 1
777 . 1 1 63 63 MET CE C 13 16.6 0.2 . 1 . . . . 63 MET CE . 16564 1
778 . 1 1 63 63 MET CG C 13 32.0 0.2 . 1 . . . . 63 MET CG . 16564 1
779 . 1 1 63 63 MET N N 15 114.3 0.2 . 1 . . . . 63 MET N . 16564 1
780 . 1 1 64 64 GLY H H 1 7.82 0.02 . 1 . . . . 64 GLY H . 16564 1
781 . 1 1 64 64 GLY HA2 H 1 3.85 0.02 . 2 . . . . 64 GLY HA2 . 16564 1
782 . 1 1 64 64 GLY HA3 H 1 4.25 0.02 . 2 . . . . 64 GLY HA3 . 16564 1
783 . 1 1 64 64 GLY C C 13 174.7 0.2 . 1 . . . . 64 GLY C . 16564 1
784 . 1 1 64 64 GLY CA C 13 45.2 0.2 . 1 . . . . 64 GLY CA . 16564 1
785 . 1 1 64 64 GLY N N 15 106.7 0.2 . 1 . . . . 64 GLY N . 16564 1
786 . 1 1 65 65 ASP H H 1 8.07 0.02 . 1 . . . . 65 ASP H . 16564 1
787 . 1 1 65 65 ASP HA H 1 4.65 0.02 . 1 . . . . 65 ASP HA . 16564 1
788 . 1 1 65 65 ASP HB2 H 1 2.46 0.02 . 2 . . . . 65 ASP HB2 . 16564 1
789 . 1 1 65 65 ASP HB3 H 1 2.70 0.02 . 2 . . . . 65 ASP HB3 . 16564 1
790 . 1 1 65 65 ASP C C 13 175.8 0.2 . 1 . . . . 65 ASP C . 16564 1
791 . 1 1 65 65 ASP CA C 13 56.1 0.2 . 1 . . . . 65 ASP CA . 16564 1
792 . 1 1 65 65 ASP CB C 13 42.7 0.2 . 1 . . . . 65 ASP CB . 16564 1
793 . 1 1 65 65 ASP N N 15 118.7 0.2 . 1 . . . . 65 ASP N . 16564 1
794 . 1 1 66 66 VAL H H 1 6.73 0.02 . 1 . . . . 66 VAL H . 16564 1
795 . 1 1 66 66 VAL HA H 1 4.36 0.02 . 1 . . . . 66 VAL HA . 16564 1
796 . 1 1 66 66 VAL HB H 1 1.69 0.02 . 1 . . . . 66 VAL HB . 16564 1
797 . 1 1 66 66 VAL HG11 H 1 0.92 0.02 . 1 . . . . 66 VAL HG1 . 16564 1
798 . 1 1 66 66 VAL HG12 H 1 0.92 0.02 . 1 . . . . 66 VAL HG1 . 16564 1
799 . 1 1 66 66 VAL HG13 H 1 0.92 0.02 . 1 . . . . 66 VAL HG1 . 16564 1
800 . 1 1 66 66 VAL HG21 H 1 0.81 0.02 . 1 . . . . 66 VAL HG2 . 16564 1
801 . 1 1 66 66 VAL HG22 H 1 0.81 0.02 . 1 . . . . 66 VAL HG2 . 16564 1
802 . 1 1 66 66 VAL HG23 H 1 0.81 0.02 . 1 . . . . 66 VAL HG2 . 16564 1
803 . 1 1 66 66 VAL C C 13 174.7 0.2 . 1 . . . . 66 VAL C . 16564 1
804 . 1 1 66 66 VAL CA C 13 59.7 0.2 . 1 . . . . 66 VAL CA . 16564 1
805 . 1 1 66 66 VAL CB C 13 36.3 0.2 . 1 . . . . 66 VAL CB . 16564 1
806 . 1 1 66 66 VAL CG1 C 13 21.5 0.2 . 1 . . . . 66 VAL CG1 . 16564 1
807 . 1 1 66 66 VAL CG2 C 13 22.0 0.2 . 1 . . . . 66 VAL CG2 . 16564 1
808 . 1 1 66 66 VAL N N 15 114.1 0.2 . 1 . . . . 66 VAL N . 16564 1
809 . 1 1 67 67 ALA H H 1 8.67 0.02 . 1 . . . . 67 ALA H . 16564 1
810 . 1 1 67 67 ALA HA H 1 4.34 0.02 . 1 . . . . 67 ALA HA . 16564 1
811 . 1 1 67 67 ALA HB1 H 1 1.61 0.02 . 1 . . . . 67 ALA HB . 16564 1
812 . 1 1 67 67 ALA HB2 H 1 1.61 0.02 . 1 . . . . 67 ALA HB . 16564 1
813 . 1 1 67 67 ALA HB3 H 1 1.61 0.02 . 1 . . . . 67 ALA HB . 16564 1
814 . 1 1 67 67 ALA C C 13 179.0 0.2 . 1 . . . . 67 ALA C . 16564 1
815 . 1 1 67 67 ALA CA C 13 52.5 0.2 . 1 . . . . 67 ALA CA . 16564 1
816 . 1 1 67 67 ALA CB C 13 19.2 0.2 . 1 . . . . 67 ALA CB . 16564 1
817 . 1 1 67 67 ALA N N 15 129.0 0.2 . 1 . . . . 67 ALA N . 16564 1
818 . 1 1 68 68 GLY H H 1 9.25 0.02 . 1 . . . . 68 GLY H . 16564 1
819 . 1 1 68 68 GLY HA2 H 1 3.99 0.02 . 2 . . . . 68 GLY HA2 . 16564 1
820 . 1 1 68 68 GLY HA3 H 1 4.17 0.02 . 2 . . . . 68 GLY HA3 . 16564 1
821 . 1 1 68 68 GLY C C 13 177.4 0.2 . 1 . . . . 68 GLY C . 16564 1
822 . 1 1 68 68 GLY CA C 13 48.0 0.2 . 1 . . . . 68 GLY CA . 16564 1
823 . 1 1 68 68 GLY N N 15 110.1 0.2 . 1 . . . . 68 GLY N . 16564 1
824 . 1 1 69 69 GLU H H 1 9.10 0.02 . 1 . . . . 69 GLU H . 16564 1
825 . 1 1 69 69 GLU HA H 1 3.94 0.02 . 1 . . . . 69 GLU HA . 16564 1
826 . 1 1 69 69 GLU HB2 H 1 1.98 0.02 . 2 . . . . 69 GLU HB2 . 16564 1
827 . 1 1 69 69 GLU HB3 H 1 2.06 0.02 . 2 . . . . 69 GLU HB3 . 16564 1
828 . 1 1 69 69 GLU C C 13 178.0 0.2 . 1 . . . . 69 GLU C . 16564 1
829 . 1 1 69 69 GLU CA C 13 59.0 0.2 . 1 . . . . 69 GLU CA . 16564 1
830 . 1 1 69 69 GLU CB C 13 29.3 0.2 . 1 . . . . 69 GLU CB . 16564 1
831 . 1 1 69 69 GLU N N 15 120.5 0.2 . 1 . . . . 69 GLU N . 16564 1
832 . 1 1 70 70 ILE H H 1 7.22 0.02 . 1 . . . . 70 ILE H . 16564 1
833 . 1 1 70 70 ILE HA H 1 3.84 0.02 . 1 . . . . 70 ILE HA . 16564 1
834 . 1 1 70 70 ILE HB H 1 2.20 0.02 . 1 . . . . 70 ILE HB . 16564 1
835 . 1 1 70 70 ILE HD11 H 1 0.88 0.02 . 1 . . . . 70 ILE HD1 . 16564 1
836 . 1 1 70 70 ILE HD12 H 1 0.88 0.02 . 1 . . . . 70 ILE HD1 . 16564 1
837 . 1 1 70 70 ILE HD13 H 1 0.88 0.02 . 1 . . . . 70 ILE HD1 . 16564 1
838 . 1 1 70 70 ILE HG12 H 1 1.32 0.02 . 2 . . . . 70 ILE HG12 . 16564 1
839 . 1 1 70 70 ILE HG13 H 1 1.62 0.02 . 2 . . . . 70 ILE HG13 . 16564 1
840 . 1 1 70 70 ILE HG21 H 1 0.91 0.02 . 1 . . . . 70 ILE HG2 . 16564 1
841 . 1 1 70 70 ILE HG22 H 1 0.91 0.02 . 1 . . . . 70 ILE HG2 . 16564 1
842 . 1 1 70 70 ILE HG23 H 1 0.91 0.02 . 1 . . . . 70 ILE HG2 . 16564 1
843 . 1 1 70 70 ILE C C 13 179.3 0.2 . 1 . . . . 70 ILE C . 16564 1
844 . 1 1 70 70 ILE CA C 13 63.3 0.2 . 1 . . . . 70 ILE CA . 16564 1
845 . 1 1 70 70 ILE CB C 13 36.6 0.2 . 1 . . . . 70 ILE CB . 16564 1
846 . 1 1 70 70 ILE CD1 C 13 11.5 0.2 . 1 . . . . 70 ILE CD1 . 16564 1
847 . 1 1 70 70 ILE CG1 C 13 28.6 0.2 . 1 . . . . 70 ILE CG1 . 16564 1
848 . 1 1 70 70 ILE CG2 C 13 18.1 0.2 . 1 . . . . 70 ILE CG2 . 16564 1
849 . 1 1 70 70 ILE N N 15 120.2 0.2 . 1 . . . . 70 ILE N . 16564 1
850 . 1 1 71 71 ALA H H 1 7.05 0.02 . 1 . . . . 71 ALA H . 16564 1
851 . 1 1 71 71 ALA HA H 1 3.99 0.02 . 1 . . . . 71 ALA HA . 16564 1
852 . 1 1 71 71 ALA HB1 H 1 1.80 0.02 . 1 . . . . 71 ALA HB . 16564 1
853 . 1 1 71 71 ALA HB2 H 1 1.80 0.02 . 1 . . . . 71 ALA HB . 16564 1
854 . 1 1 71 71 ALA HB3 H 1 1.80 0.02 . 1 . . . . 71 ALA HB . 16564 1
855 . 1 1 71 71 ALA C C 13 178.5 0.2 . 1 . . . . 71 ALA C . 16564 1
856 . 1 1 71 71 ALA CA C 13 55.5 0.2 . 1 . . . . 71 ALA CA . 16564 1
857 . 1 1 71 71 ALA CB C 13 18.5 0.2 . 1 . . . . 71 ALA CB . 16564 1
858 . 1 1 71 71 ALA N N 15 122.1 0.2 . 1 . . . . 71 ALA N . 16564 1
859 . 1 1 72 72 ARG H H 1 8.12 0.02 . 1 . . . . 72 ARG H . 16564 1
860 . 1 1 72 72 ARG HA H 1 3.08 0.02 . 1 . . . . 72 ARG HA . 16564 1
861 . 1 1 72 72 ARG HB2 H 1 -0.21 0.02 . 2 . . . . 72 ARG HB2 . 16564 1
862 . 1 1 72 72 ARG HB3 H 1 1.34 0.02 . 2 . . . . 72 ARG HB3 . 16564 1
863 . 1 1 72 72 ARG HD2 H 1 2.28 0.02 . 2 . . . . 72 ARG HD2 . 16564 1
864 . 1 1 72 72 ARG HD3 H 1 2.77 0.02 . 2 . . . . 72 ARG HD3 . 16564 1
865 . 1 1 72 72 ARG HE H 1 7.46 0.02 . 1 . . . . 72 ARG HE . 16564 1
866 . 1 1 72 72 ARG HG2 H 1 -0.74 0.02 . 2 . . . . 72 ARG HG2 . 16564 1
867 . 1 1 72 72 ARG HG3 H 1 0.84 0.02 . 2 . . . . 72 ARG HG3 . 16564 1
868 . 1 1 72 72 ARG C C 13 177.9 0.2 . 1 . . . . 72 ARG C . 16564 1
869 . 1 1 72 72 ARG CA C 13 60.0 0.2 . 1 . . . . 72 ARG CA . 16564 1
870 . 1 1 72 72 ARG CB C 13 28.3 0.2 . 1 . . . . 72 ARG CB . 16564 1
871 . 1 1 72 72 ARG CD C 13 43.2 0.2 . 1 . . . . 72 ARG CD . 16564 1
872 . 1 1 72 72 ARG CG C 13 25.7 0.2 . 1 . . . . 72 ARG CG . 16564 1
873 . 1 1 72 72 ARG CZ C 13 158.8 0.2 . 1 . . . . 72 ARG CZ . 16564 1
874 . 1 1 72 72 ARG N N 15 118.8 0.2 . 1 . . . . 72 ARG N . 16564 1
875 . 1 1 72 72 ARG NE N 15 85.2 0.2 . 1 . . . . 72 ARG NE . 16564 1
876 . 1 1 73 73 THR H H 1 8.09 0.02 . 1 . . . . 73 THR H . 16564 1
877 . 1 1 73 73 THR HA H 1 3.64 0.02 . 1 . . . . 73 THR HA . 16564 1
878 . 1 1 73 73 THR HB H 1 4.19 0.02 . 1 . . . . 73 THR HB . 16564 1
879 . 1 1 73 73 THR HG21 H 1 1.19 0.02 . 1 . . . . 73 THR HG2 . 16564 1
880 . 1 1 73 73 THR HG22 H 1 1.19 0.02 . 1 . . . . 73 THR HG2 . 16564 1
881 . 1 1 73 73 THR HG23 H 1 1.19 0.02 . 1 . . . . 73 THR HG2 . 16564 1
882 . 1 1 73 73 THR C C 13 176.4 0.2 . 1 . . . . 73 THR C . 16564 1
883 . 1 1 73 73 THR CA C 13 66.5 0.2 . 1 . . . . 73 THR CA . 16564 1
884 . 1 1 73 73 THR CB C 13 68.6 0.2 . 1 . . . . 73 THR CB . 16564 1
885 . 1 1 73 73 THR CG2 C 13 22.1 0.2 . 1 . . . . 73 THR CG2 . 16564 1
886 . 1 1 73 73 THR N N 15 116.2 0.2 . 1 . . . . 73 THR N . 16564 1
887 . 1 1 74 74 ALA H H 1 7.66 0.02 . 1 . . . . 74 ALA H . 16564 1
888 . 1 1 74 74 ALA HA H 1 4.23 0.02 . 1 . . . . 74 ALA HA . 16564 1
889 . 1 1 74 74 ALA HB1 H 1 1.51 0.02 . 1 . . . . 74 ALA HB . 16564 1
890 . 1 1 74 74 ALA HB2 H 1 1.51 0.02 . 1 . . . . 74 ALA HB . 16564 1
891 . 1 1 74 74 ALA HB3 H 1 1.51 0.02 . 1 . . . . 74 ALA HB . 16564 1
892 . 1 1 74 74 ALA C C 13 180.3 0.2 . 1 . . . . 74 ALA C . 16564 1
893 . 1 1 74 74 ALA CA C 13 54.9 0.2 . 1 . . . . 74 ALA CA . 16564 1
894 . 1 1 74 74 ALA CB C 13 19.1 0.2 . 1 . . . . 74 ALA CB . 16564 1
895 . 1 1 74 74 ALA N N 15 123.3 0.2 . 1 . . . . 74 ALA N . 16564 1
896 . 1 1 75 75 PHE H H 1 8.76 0.02 . 1 . . . . 75 PHE H . 16564 1
897 . 1 1 75 75 PHE HA H 1 4.13 0.02 . 1 . . . . 75 PHE HA . 16564 1
898 . 1 1 75 75 PHE HB2 H 1 3.03 0.02 . 2 . . . . 75 PHE HB2 . 16564 1
899 . 1 1 75 75 PHE HB3 H 1 3.20 0.02 . 2 . . . . 75 PHE HB3 . 16564 1
900 . 1 1 75 75 PHE HD1 H 1 6.97 0.02 . 3 . . . . 75 PHE HD1 . 16564 1
901 . 1 1 75 75 PHE HE1 H 1 7.03 0.02 . 3 . . . . 75 PHE HE1 . 16564 1
902 . 1 1 75 75 PHE HZ H 1 6.07 0.02 . 1 . . . . 75 PHE HZ . 16564 1
903 . 1 1 75 75 PHE C C 13 178.1 0.2 . 1 . . . . 75 PHE C . 16564 1
904 . 1 1 75 75 PHE CA C 13 61.7 0.2 . 1 . . . . 75 PHE CA . 16564 1
905 . 1 1 75 75 PHE CB C 13 39.6 0.2 . 1 . . . . 75 PHE CB . 16564 1
906 . 1 1 75 75 PHE CD1 C 13 131.0 0.2 . 3 . . . . 75 PHE CD1 . 16564 1
907 . 1 1 75 75 PHE CE1 C 13 131.2 0.2 . 3 . . . . 75 PHE CE1 . 16564 1
908 . 1 1 75 75 PHE CZ C 13 129.7 0.2 . 1 . . . . 75 PHE CZ . 16564 1
909 . 1 1 75 75 PHE N N 15 123.3 0.2 . 1 . . . . 75 PHE N . 16564 1
910 . 1 1 76 76 VAL H H 1 8.98 0.02 . 1 . . . . 76 VAL H . 16564 1
911 . 1 1 76 76 VAL HA H 1 3.21 0.02 . 1 . . . . 76 VAL HA . 16564 1
912 . 1 1 76 76 VAL HB H 1 2.11 0.02 . 1 . . . . 76 VAL HB . 16564 1
913 . 1 1 76 76 VAL HG11 H 1 0.89 0.02 . 1 . . . . 76 VAL HG1 . 16564 1
914 . 1 1 76 76 VAL HG12 H 1 0.89 0.02 . 1 . . . . 76 VAL HG1 . 16564 1
915 . 1 1 76 76 VAL HG13 H 1 0.89 0.02 . 1 . . . . 76 VAL HG1 . 16564 1
916 . 1 1 76 76 VAL HG21 H 1 0.92 0.02 . 1 . . . . 76 VAL HG2 . 16564 1
917 . 1 1 76 76 VAL HG22 H 1 0.92 0.02 . 1 . . . . 76 VAL HG2 . 16564 1
918 . 1 1 76 76 VAL HG23 H 1 0.92 0.02 . 1 . . . . 76 VAL HG2 . 16564 1
919 . 1 1 76 76 VAL C C 13 177.5 0.2 . 1 . . . . 76 VAL C . 16564 1
920 . 1 1 76 76 VAL CA C 13 67.5 0.2 . 1 . . . . 76 VAL CA . 16564 1
921 . 1 1 76 76 VAL CB C 13 31.7 0.2 . 1 . . . . 76 VAL CB . 16564 1
922 . 1 1 76 76 VAL CG1 C 13 21.4 0.2 . 1 . . . . 76 VAL CG1 . 16564 1
923 . 1 1 76 76 VAL CG2 C 13 24.3 0.2 . 1 . . . . 76 VAL CG2 . 16564 1
924 . 1 1 76 76 VAL N N 15 123.6 0.2 . 1 . . . . 76 VAL N . 16564 1
925 . 1 1 77 77 ALA H H 1 8.07 0.02 . 1 . . . . 77 ALA H . 16564 1
926 . 1 1 77 77 ALA HA H 1 4.08 0.02 . 1 . . . . 77 ALA HA . 16564 1
927 . 1 1 77 77 ALA HB1 H 1 1.49 0.02 . 1 . . . . 77 ALA HB . 16564 1
928 . 1 1 77 77 ALA HB2 H 1 1.49 0.02 . 1 . . . . 77 ALA HB . 16564 1
929 . 1 1 77 77 ALA HB3 H 1 1.49 0.02 . 1 . . . . 77 ALA HB . 16564 1
930 . 1 1 77 77 ALA C C 13 181.0 0.2 . 1 . . . . 77 ALA C . 16564 1
931 . 1 1 77 77 ALA CA C 13 55.3 0.2 . 1 . . . . 77 ALA CA . 16564 1
932 . 1 1 77 77 ALA CB C 13 17.8 0.2 . 1 . . . . 77 ALA CB . 16564 1
933 . 1 1 77 77 ALA N N 15 121.2 0.2 . 1 . . . . 77 ALA N . 16564 1
934 . 1 1 78 78 ALA H H 1 8.13 0.02 . 1 . . . . 78 ALA H . 16564 1
935 . 1 1 78 78 ALA HA H 1 4.03 0.02 . 1 . . . . 78 ALA HA . 16564 1
936 . 1 1 78 78 ALA HB1 H 1 1.28 0.02 . 1 . . . . 78 ALA HB . 16564 1
937 . 1 1 78 78 ALA HB2 H 1 1.28 0.02 . 1 . . . . 78 ALA HB . 16564 1
938 . 1 1 78 78 ALA HB3 H 1 1.28 0.02 . 1 . . . . 78 ALA HB . 16564 1
939 . 1 1 78 78 ALA C C 13 180.2 0.2 . 1 . . . . 78 ALA C . 16564 1
940 . 1 1 78 78 ALA CA C 13 55.3 0.2 . 1 . . . . 78 ALA CA . 16564 1
941 . 1 1 78 78 ALA CB C 13 17.2 0.2 . 1 . . . . 78 ALA CB . 16564 1
942 . 1 1 78 78 ALA N N 15 119.8 0.2 . 1 . . . . 78 ALA N . 16564 1
943 . 1 1 79 79 SER H H 1 8.27 0.02 . 1 . . . . 79 SER H . 16564 1
944 . 1 1 79 79 SER HA H 1 4.26 0.02 . 1 . . . . 79 SER HA . 16564 1
945 . 1 1 79 79 SER HB2 H 1 3.39 0.02 . 2 . . . . 79 SER HB2 . 16564 1
946 . 1 1 79 79 SER HB3 H 1 3.81 0.02 . 2 . . . . 79 SER HB3 . 16564 1
947 . 1 1 79 79 SER C C 13 175.8 0.2 . 1 . . . . 79 SER C . 16564 1
948 . 1 1 79 79 SER CA C 13 62.1 0.2 . 1 . . . . 79 SER CA . 16564 1
949 . 1 1 79 79 SER CB C 13 63.4 0.2 . 1 . . . . 79 SER CB . 16564 1
950 . 1 1 79 79 SER N N 15 116.8 0.2 . 1 . . . . 79 SER N . 16564 1
951 . 1 1 80 80 ARG H H 1 8.71 0.02 . 1 . . . . 80 ARG H . 16564 1
952 . 1 1 80 80 ARG HA H 1 4.03 0.02 . 1 . . . . 80 ARG HA . 16564 1
953 . 1 1 80 80 ARG HB2 H 1 1.86 0.02 . 2 . . . . 80 ARG HB2 . 16564 1
954 . 1 1 80 80 ARG HB3 H 1 1.90 0.02 . 2 . . . . 80 ARG HB3 . 16564 1
955 . 1 1 80 80 ARG HG2 H 1 1.71 0.02 . 2 . . . . 80 ARG HG2 . 16564 1
956 . 1 1 80 80 ARG HG3 H 1 1.75 0.02 . 2 . . . . 80 ARG HG3 . 16564 1
957 . 1 1 80 80 ARG C C 13 180.4 0.2 . 1 . . . . 80 ARG C . 16564 1
958 . 1 1 80 80 ARG CA C 13 59.6 0.2 . 1 . . . . 80 ARG CA . 16564 1
959 . 1 1 80 80 ARG CB C 13 30.0 0.2 . 1 . . . . 80 ARG CB . 16564 1
960 . 1 1 80 80 ARG CD C 13 43.0 0.2 . 1 . . . . 80 ARG CD . 16564 1
961 . 1 1 80 80 ARG CG C 13 27.5 0.2 . 1 . . . . 80 ARG CG . 16564 1
962 . 1 1 80 80 ARG N N 15 123.8 0.2 . 1 . . . . 80 ARG N . 16564 1
963 . 1 1 81 81 GLN H H 1 7.86 0.02 . 1 . . . . 81 GLN H . 16564 1
964 . 1 1 81 81 GLN HA H 1 3.99 0.02 . 1 . . . . 81 GLN HA . 16564 1
965 . 1 1 81 81 GLN HB2 H 1 2.09 0.02 . 2 . . . . 81 GLN HB2 . 16564 1
966 . 1 1 81 81 GLN HB3 H 1 2.26 0.02 . 2 . . . . 81 GLN HB3 . 16564 1
967 . 1 1 81 81 GLN HE21 H 1 7.01 0.02 . 2 . . . . 81 GLN HE21 . 16564 1
968 . 1 1 81 81 GLN HE22 H 1 7.63 0.02 . 2 . . . . 81 GLN HE22 . 16564 1
969 . 1 1 81 81 GLN HG2 H 1 2.52 0.02 . 2 . . . . 81 GLN HG2 . 16564 1
970 . 1 1 81 81 GLN HG3 H 1 2.54 0.02 . 2 . . . . 81 GLN HG3 . 16564 1
971 . 1 1 81 81 GLN C C 13 176.4 0.2 . 1 . . . . 81 GLN C . 16564 1
972 . 1 1 81 81 GLN CA C 13 58.3 0.2 . 1 . . . . 81 GLN CA . 16564 1
973 . 1 1 81 81 GLN CB C 13 28.4 0.2 . 1 . . . . 81 GLN CB . 16564 1
974 . 1 1 81 81 GLN CD C 13 179.7 0.2 . 1 . . . . 81 GLN CD . 16564 1
975 . 1 1 81 81 GLN CG C 13 33.8 0.2 . 1 . . . . 81 GLN CG . 16564 1
976 . 1 1 81 81 GLN N N 15 119.6 0.2 . 1 . . . . 81 GLN N . 16564 1
977 . 1 1 81 81 GLN NE2 N 15 112.9 0.2 . 1 . . . . 81 GLN NE2 . 16564 1
978 . 1 1 82 82 ALA H H 1 7.63 0.02 . 1 . . . . 82 ALA H . 16564 1
979 . 1 1 82 82 ALA HA H 1 4.26 0.02 . 1 . . . . 82 ALA HA . 16564 1
980 . 1 1 82 82 ALA HB1 H 1 1.30 0.02 . 1 . . . . 82 ALA HB . 16564 1
981 . 1 1 82 82 ALA HB2 H 1 1.30 0.02 . 1 . . . . 82 ALA HB . 16564 1
982 . 1 1 82 82 ALA HB3 H 1 1.30 0.02 . 1 . . . . 82 ALA HB . 16564 1
983 . 1 1 82 82 ALA C C 13 175.8 0.2 . 1 . . . . 82 ALA C . 16564 1
984 . 1 1 82 82 ALA CA C 13 51.7 0.2 . 1 . . . . 82 ALA CA . 16564 1
985 . 1 1 82 82 ALA CB C 13 19.2 0.2 . 1 . . . . 82 ALA CB . 16564 1
986 . 1 1 82 82 ALA N N 15 118.5 0.2 . 1 . . . . 82 ALA N . 16564 1
987 . 1 1 83 83 HIS H H 1 7.64 0.02 . 1 . . . . 83 HIS H . 16564 1
988 . 1 1 83 83 HIS HA H 1 4.37 0.02 . 1 . . . . 83 HIS HA . 16564 1
989 . 1 1 83 83 HIS HB2 H 1 3.33 0.02 . 2 . . . . 83 HIS HB2 . 16564 1
990 . 1 1 83 83 HIS HB3 H 1 3.37 0.02 . 2 . . . . 83 HIS HB3 . 16564 1
991 . 1 1 83 83 HIS HD2 H 1 7.06 0.02 . 1 . . . . 83 HIS HD2 . 16564 1
992 . 1 1 83 83 HIS C C 13 174.6 0.2 . 1 . . . . 83 HIS C . 16564 1
993 . 1 1 83 83 HIS CA C 13 56.8 0.2 . 1 . . . . 83 HIS CA . 16564 1
994 . 1 1 83 83 HIS CB C 13 26.9 0.2 . 1 . . . . 83 HIS CB . 16564 1
995 . 1 1 83 83 HIS CD2 C 13 120.1 0.2 . 1 . . . . 83 HIS CD2 . 16564 1
996 . 1 1 83 83 HIS N N 15 113.2 0.2 . 1 . . . . 83 HIS N . 16564 1
997 . 1 1 84 84 CYS H H 1 8.32 0.02 . 1 . . . . 84 CYS H . 16564 1
998 . 1 1 84 84 CYS HA H 1 5.08 0.02 . 1 . . . . 84 CYS HA . 16564 1
999 . 1 1 84 84 CYS HB2 H 1 2.49 0.02 . 2 . . . . 84 CYS HB2 . 16564 1
1000 . 1 1 84 84 CYS HB3 H 1 3.47 0.02 . 2 . . . . 84 CYS HB3 . 16564 1
1001 . 1 1 84 84 CYS C C 13 173.3 0.2 . 1 . . . . 84 CYS C . 16564 1
1002 . 1 1 84 84 CYS CA C 13 56.1 0.2 . 1 . . . . 84 CYS CA . 16564 1
1003 . 1 1 84 84 CYS CB C 13 29.2 0.2 . 1 . . . . 84 CYS CB . 16564 1
1004 . 1 1 84 84 CYS N N 15 110.5 0.2 . 1 . . . . 84 CYS N . 16564 1
1005 . 1 1 85 85 LEU H H 1 7.31 0.02 . 1 . . . . 85 LEU H . 16564 1
1006 . 1 1 85 85 LEU HA H 1 4.28 0.02 . 1 . . . . 85 LEU HA . 16564 1
1007 . 1 1 85 85 LEU HB2 H 1 1.04 0.02 . 2 . . . . 85 LEU HB2 . 16564 1
1008 . 1 1 85 85 LEU HB3 H 1 1.71 0.02 . 2 . . . . 85 LEU HB3 . 16564 1
1009 . 1 1 85 85 LEU HD11 H 1 0.93 0.02 . 1 . . . . 85 LEU HD1 . 16564 1
1010 . 1 1 85 85 LEU HD12 H 1 0.93 0.02 . 1 . . . . 85 LEU HD1 . 16564 1
1011 . 1 1 85 85 LEU HD13 H 1 0.93 0.02 . 1 . . . . 85 LEU HD1 . 16564 1
1012 . 1 1 85 85 LEU HD21 H 1 0.85 0.02 . 1 . . . . 85 LEU HD2 . 16564 1
1013 . 1 1 85 85 LEU HD22 H 1 0.85 0.02 . 1 . . . . 85 LEU HD2 . 16564 1
1014 . 1 1 85 85 LEU HD23 H 1 0.85 0.02 . 1 . . . . 85 LEU HD2 . 16564 1
1015 . 1 1 85 85 LEU HG H 1 1.36 0.02 . 1 . . . . 85 LEU HG . 16564 1
1016 . 1 1 85 85 LEU C C 13 176.4 0.2 . 1 . . . . 85 LEU C . 16564 1
1017 . 1 1 85 85 LEU CA C 13 55.3 0.2 . 1 . . . . 85 LEU CA . 16564 1
1018 . 1 1 85 85 LEU CB C 13 42.7 0.2 . 1 . . . . 85 LEU CB . 16564 1
1019 . 1 1 85 85 LEU CD1 C 13 23.7 0.2 . 1 . . . . 85 LEU CD1 . 16564 1
1020 . 1 1 85 85 LEU CD2 C 13 26.7 0.2 . 1 . . . . 85 LEU CD2 . 16564 1
1021 . 1 1 85 85 LEU CG C 13 27.2 0.2 . 1 . . . . 85 LEU CG . 16564 1
1022 . 1 1 85 85 LEU N N 15 124.5 0.2 . 1 . . . . 85 LEU N . 16564 1
1023 . 1 1 86 86 MET H H 1 8.52 0.02 . 1 . . . . 86 MET H . 16564 1
1024 . 1 1 86 86 MET HA H 1 4.53 0.02 . 1 . . . . 86 MET HA . 16564 1
1025 . 1 1 86 86 MET HB2 H 1 1.63 0.02 . 2 . . . . 86 MET HB2 . 16564 1
1026 . 1 1 86 86 MET HB3 H 1 1.93 0.02 . 2 . . . . 86 MET HB3 . 16564 1
1027 . 1 1 86 86 MET HG2 H 1 2.37 0.02 . 2 . . . . 86 MET HG2 . 16564 1
1028 . 1 1 86 86 MET HG3 H 1 2.39 0.02 . 2 . . . . 86 MET HG3 . 16564 1
1029 . 1 1 86 86 MET C C 13 175.0 0.2 . 1 . . . . 86 MET C . 16564 1
1030 . 1 1 86 86 MET CA C 13 55.4 0.2 . 1 . . . . 86 MET CA . 16564 1
1031 . 1 1 86 86 MET CB C 13 33.0 0.2 . 1 . . . . 86 MET CB . 16564 1
1032 . 1 1 86 86 MET CG C 13 32.2 0.2 . 1 . . . . 86 MET CG . 16564 1
1033 . 1 1 86 86 MET N N 15 127.3 0.2 . 1 . . . . 86 MET N . 16564 1
1034 . 1 1 87 87 GLU H H 1 8.46 0.02 . 1 . . . . 87 GLU H . 16564 1
1035 . 1 1 87 87 GLU HA H 1 4.29 0.02 . 1 . . . . 87 GLU HA . 16564 1
1036 . 1 1 87 87 GLU HB2 H 1 1.86 0.02 . 2 . . . . 87 GLU HB2 . 16564 1
1037 . 1 1 87 87 GLU HB3 H 1 1.98 0.02 . 2 . . . . 87 GLU HB3 . 16564 1
1038 . 1 1 87 87 GLU HG2 H 1 2.12 0.02 . 2 . . . . 87 GLU HG2 . 16564 1
1039 . 1 1 87 87 GLU HG3 H 1 2.19 0.02 . 2 . . . . 87 GLU HG3 . 16564 1
1040 . 1 1 87 87 GLU C C 13 175.5 0.2 . 1 . . . . 87 GLU C . 16564 1
1041 . 1 1 87 87 GLU CA C 13 56.2 0.2 . 1 . . . . 87 GLU CA . 16564 1
1042 . 1 1 87 87 GLU CB C 13 30.9 0.2 . 1 . . . . 87 GLU CB . 16564 1
1043 . 1 1 87 87 GLU CG C 13 36.1 0.2 . 1 . . . . 87 GLU CG . 16564 1
1044 . 1 1 87 87 GLU N N 15 123.3 0.2 . 1 . . . . 87 GLU N . 16564 1
1045 . 1 1 88 88 ASP H H 1 8.51 0.02 . 1 . . . . 88 ASP H . 16564 1
1046 . 1 1 88 88 ASP HA H 1 4.56 0.02 . 1 . . . . 88 ASP HA . 16564 1
1047 . 1 1 88 88 ASP HB2 H 1 2.53 0.02 . 2 . . . . 88 ASP HB2 . 16564 1
1048 . 1 1 88 88 ASP HB3 H 1 2.67 0.02 . 2 . . . . 88 ASP HB3 . 16564 1
1049 . 1 1 88 88 ASP C C 13 176.2 0.2 . 1 . . . . 88 ASP C . 16564 1
1050 . 1 1 88 88 ASP CA C 13 54.2 0.2 . 1 . . . . 88 ASP CA . 16564 1
1051 . 1 1 88 88 ASP CB C 13 41.4 0.2 . 1 . . . . 88 ASP CB . 16564 1
1052 . 1 1 88 88 ASP N N 15 122.6 0.2 . 1 . . . . 88 ASP N . 16564 1
1053 . 1 1 89 89 LYS H H 1 8.33 0.02 . 1 . . . . 89 LYS H . 16564 1
1054 . 1 1 89 89 LYS HA H 1 4.26 0.02 . 1 . . . . 89 LYS HA . 16564 1
1055 . 1 1 89 89 LYS HB2 H 1 1.72 0.02 . 2 . . . . 89 LYS HB2 . 16564 1
1056 . 1 1 89 89 LYS HB3 H 1 1.83 0.02 . 2 . . . . 89 LYS HB3 . 16564 1
1057 . 1 1 89 89 LYS C C 13 176.2 0.2 . 1 . . . . 89 LYS C . 16564 1
1058 . 1 1 89 89 LYS CA C 13 56.2 0.2 . 1 . . . . 89 LYS CA . 16564 1
1059 . 1 1 89 89 LYS CB C 13 32.9 0.2 . 1 . . . . 89 LYS CB . 16564 1
1060 . 1 1 89 89 LYS CD C 13 28.8 0.2 . 1 . . . . 89 LYS CD . 16564 1
1061 . 1 1 89 89 LYS CE C 13 41.9 0.2 . 1 . . . . 89 LYS CE . 16564 1
1062 . 1 1 89 89 LYS CG C 13 24.5 0.2 . 1 . . . . 89 LYS CG . 16564 1
1063 . 1 1 89 89 LYS N N 15 122.3 0.2 . 1 . . . . 89 LYS N . 16564 1
1064 . 1 1 90 90 ALA H H 1 8.30 0.02 . 1 . . . . 90 ALA H . 16564 1
1065 . 1 1 90 90 ALA HA H 1 4.25 0.02 . 1 . . . . 90 ALA HA . 16564 1
1066 . 1 1 90 90 ALA HB1 H 1 1.34 0.02 . 1 . . . . 90 ALA HB . 16564 1
1067 . 1 1 90 90 ALA HB2 H 1 1.34 0.02 . 1 . . . . 90 ALA HB . 16564 1
1068 . 1 1 90 90 ALA HB3 H 1 1.34 0.02 . 1 . . . . 90 ALA HB . 16564 1
1069 . 1 1 90 90 ALA C C 13 177.6 0.2 . 1 . . . . 90 ALA C . 16564 1
1070 . 1 1 90 90 ALA CA C 13 52.5 0.2 . 1 . . . . 90 ALA CA . 16564 1
1071 . 1 1 90 90 ALA CB C 13 19.3 0.2 . 1 . . . . 90 ALA CB . 16564 1
1072 . 1 1 90 90 ALA N N 15 125.1 0.2 . 1 . . . . 90 ALA N . 16564 1
1073 . 1 1 91 91 GLU H H 1 8.25 0.02 . 1 . . . . 91 GLU H . 16564 1
1074 . 1 1 91 91 GLU HA H 1 4.22 0.02 . 1 . . . . 91 GLU HA . 16564 1
1075 . 1 1 91 91 GLU HB2 H 1 1.86 0.02 . 2 . . . . 91 GLU HB2 . 16564 1
1076 . 1 1 91 91 GLU HB3 H 1 1.99 0.02 . 2 . . . . 91 GLU HB3 . 16564 1
1077 . 1 1 91 91 GLU C C 13 175.8 0.2 . 1 . . . . 91 GLU C . 16564 1
1078 . 1 1 91 91 GLU CA C 13 56.0 0.2 . 1 . . . . 91 GLU CA . 16564 1
1079 . 1 1 91 91 GLU CB C 13 30.5 0.2 . 1 . . . . 91 GLU CB . 16564 1
1080 . 1 1 91 91 GLU CG C 13 36.1 0.2 . 1 . . . . 91 GLU CG . 16564 1
1081 . 1 1 91 91 GLU N N 15 120.2 0.2 . 1 . . . . 91 GLU N . 16564 1
1082 . 1 1 92 92 ALA H H 1 8.32 0.02 . 1 . . . . 92 ALA H . 16564 1
1083 . 1 1 92 92 ALA HA H 1 4.55 0.02 . 1 . . . . 92 ALA HA . 16564 1
1084 . 1 1 92 92 ALA CA C 13 50.5 0.2 . 1 . . . . 92 ALA CA . 16564 1
1085 . 1 1 92 92 ALA CB C 13 18.2 0.2 . 1 . . . . 92 ALA CB . 16564 1
1086 . 1 1 92 92 ALA N N 15 126.6 0.2 . 1 . . . . 92 ALA N . 16564 1
1087 . 1 1 93 93 PRO HA H 1 4.39 0.02 . 1 . . . . 93 PRO HA . 16564 1
1088 . 1 1 93 93 PRO HB2 H 1 1.89 0.02 . 2 . . . . 93 PRO HB2 . 16564 1
1089 . 1 1 93 93 PRO HB3 H 1 2.26 0.02 . 2 . . . . 93 PRO HB3 . 16564 1
1090 . 1 1 93 93 PRO HD2 H 1 3.62 0.02 . 2 . . . . 93 PRO HD2 . 16564 1
1091 . 1 1 93 93 PRO HD3 H 1 3.75 0.02 . 2 . . . . 93 PRO HD3 . 16564 1
1092 . 1 1 93 93 PRO C C 13 176.7 0.2 . 1 . . . . 93 PRO C . 16564 1
1093 . 1 1 93 93 PRO CA C 13 63.1 0.2 . 1 . . . . 93 PRO CA . 16564 1
1094 . 1 1 93 93 PRO CB C 13 32.0 0.2 . 1 . . . . 93 PRO CB . 16564 1
1095 . 1 1 93 93 PRO CD C 13 50.4 0.2 . 1 . . . . 93 PRO CD . 16564 1
1096 . 1 1 94 94 ASN H H 1 8.54 0.02 . 1 . . . . 94 ASN H . 16564 1
1097 . 1 1 94 94 ASN HA H 1 4.68 0.02 . 1 . . . . 94 ASN HA . 16564 1
1098 . 1 1 94 94 ASN HB2 H 1 2.77 0.02 . 2 . . . . 94 ASN HB2 . 16564 1
1099 . 1 1 94 94 ASN HB3 H 1 2.81 0.02 . 2 . . . . 94 ASN HB3 . 16564 1
1100 . 1 1 94 94 ASN HD21 H 1 6.89 0.02 . 2 . . . . 94 ASN HD21 . 16564 1
1101 . 1 1 94 94 ASN HD22 H 1 7.60 0.02 . 2 . . . . 94 ASN HD22 . 16564 1
1102 . 1 1 94 94 ASN C C 13 175.4 0.2 . 1 . . . . 94 ASN C . 16564 1
1103 . 1 1 94 94 ASN CA C 13 53.3 0.2 . 1 . . . . 94 ASN CA . 16564 1
1104 . 1 1 94 94 ASN CB C 13 38.7 0.2 . 1 . . . . 94 ASN CB . 16564 1
1105 . 1 1 94 94 ASN CG C 13 177.0 0.2 . 1 . . . . 94 ASN CG . 16564 1
1106 . 1 1 94 94 ASN N N 15 118.7 0.2 . 1 . . . . 94 ASN N . 16564 1
1107 . 1 1 94 94 ASN ND2 N 15 113.0 0.2 . 1 . . . . 94 ASN ND2 . 16564 1
1108 . 1 1 95 95 THR H H 1 8.09 0.02 . 1 . . . . 95 THR H . 16564 1
1109 . 1 1 95 95 THR HA H 1 4.17 0.02 . 1 . . . . 95 THR HA . 16564 1
1110 . 1 1 95 95 THR HB H 1 4.30 0.02 . 1 . . . . 95 THR HB . 16564 1
1111 . 1 1 95 95 THR HG21 H 1 1.15 0.02 . 1 . . . . 95 THR HG2 . 16564 1
1112 . 1 1 95 95 THR HG22 H 1 1.15 0.02 . 1 . . . . 95 THR HG2 . 16564 1
1113 . 1 1 95 95 THR HG23 H 1 1.15 0.02 . 1 . . . . 95 THR HG2 . 16564 1
1114 . 1 1 95 95 THR C C 13 174.4 0.2 . 1 . . . . 95 THR C . 16564 1
1115 . 1 1 95 95 THR CA C 13 61.9 0.2 . 1 . . . . 95 THR CA . 16564 1
1116 . 1 1 95 95 THR CB C 13 69.7 0.2 . 1 . . . . 95 THR CB . 16564 1
1117 . 1 1 95 95 THR CG2 C 13 21.6 0.2 . 1 . . . . 95 THR CG2 . 16564 1
1118 . 1 1 95 95 THR N N 15 114.7 0.2 . 1 . . . . 95 THR N . 16564 1
1119 . 1 1 96 96 ILE H H 1 8.15 0.02 . 1 . . . . 96 ILE H . 16564 1
1120 . 1 1 96 96 ILE HA H 1 4.13 0.02 . 1 . . . . 96 ILE HA . 16564 1
1121 . 1 1 96 96 ILE HB H 1 1.84 0.02 . 1 . . . . 96 ILE HB . 16564 1
1122 . 1 1 96 96 ILE HD11 H 1 0.82 0.02 . 1 . . . . 96 ILE HD1 . 16564 1
1123 . 1 1 96 96 ILE HD12 H 1 0.82 0.02 . 1 . . . . 96 ILE HD1 . 16564 1
1124 . 1 1 96 96 ILE HD13 H 1 0.82 0.02 . 1 . . . . 96 ILE HD1 . 16564 1
1125 . 1 1 96 96 ILE HG12 H 1 1.15 0.02 . 2 . . . . 96 ILE HG12 . 16564 1
1126 . 1 1 96 96 ILE HG13 H 1 1.44 0.02 . 2 . . . . 96 ILE HG13 . 16564 1
1127 . 1 1 96 96 ILE HG21 H 1 0.88 0.02 . 1 . . . . 96 ILE HG2 . 16564 1
1128 . 1 1 96 96 ILE HG22 H 1 0.88 0.02 . 1 . . . . 96 ILE HG2 . 16564 1
1129 . 1 1 96 96 ILE HG23 H 1 0.88 0.02 . 1 . . . . 96 ILE HG2 . 16564 1
1130 . 1 1 96 96 ILE C C 13 176.0 0.2 . 1 . . . . 96 ILE C . 16564 1
1131 . 1 1 96 96 ILE CA C 13 61.1 0.2 . 1 . . . . 96 ILE CA . 16564 1
1132 . 1 1 96 96 ILE CB C 13 38.6 0.2 . 1 . . . . 96 ILE CB . 16564 1
1133 . 1 1 96 96 ILE CD1 C 13 12.9 0.2 . 1 . . . . 96 ILE CD1 . 16564 1
1134 . 1 1 96 96 ILE CG1 C 13 27.2 0.2 . 1 . . . . 96 ILE CG1 . 16564 1
1135 . 1 1 96 96 ILE CG2 C 13 17.4 0.2 . 1 . . . . 96 ILE CG2 . 16564 1
1136 . 1 1 96 96 ILE N N 15 123.5 0.2 . 1 . . . . 96 ILE N . 16564 1
1137 . 1 1 97 97 ALA H H 1 8.40 0.02 . 1 . . . . 97 ALA H . 16564 1
1138 . 1 1 97 97 ALA HA H 1 4.33 0.02 . 1 . . . . 97 ALA HA . 16564 1
1139 . 1 1 97 97 ALA HB1 H 1 1.36 0.02 . 1 . . . . 97 ALA HB . 16564 1
1140 . 1 1 97 97 ALA HB2 H 1 1.36 0.02 . 1 . . . . 97 ALA HB . 16564 1
1141 . 1 1 97 97 ALA HB3 H 1 1.36 0.02 . 1 . . . . 97 ALA HB . 16564 1
1142 . 1 1 97 97 ALA C C 13 177.7 0.2 . 1 . . . . 97 ALA C . 16564 1
1143 . 1 1 97 97 ALA CA C 13 52.4 0.2 . 1 . . . . 97 ALA CA . 16564 1
1144 . 1 1 97 97 ALA CB C 13 19.2 0.2 . 1 . . . . 97 ALA CB . 16564 1
1145 . 1 1 97 97 ALA N N 15 128.6 0.2 . 1 . . . . 97 ALA N . 16564 1
1146 . 1 1 98 98 SER H H 1 8.32 0.02 . 1 . . . . 98 SER H . 16564 1
1147 . 1 1 98 98 SER HA H 1 4.41 0.02 . 1 . . . . 98 SER HA . 16564 1
1148 . 1 1 98 98 SER HB2 H 1 3.84 0.02 . 2 . . . . 98 SER HB2 . 16564 1
1149 . 1 1 98 98 SER HB3 H 1 3.89 0.02 . 2 . . . . 98 SER HB3 . 16564 1
1150 . 1 1 98 98 SER C C 13 175.0 0.2 . 1 . . . . 98 SER C . 16564 1
1151 . 1 1 98 98 SER CA C 13 58.5 0.2 . 1 . . . . 98 SER CA . 16564 1
1152 . 1 1 98 98 SER CB C 13 63.8 0.2 . 1 . . . . 98 SER CB . 16564 1
1153 . 1 1 98 98 SER N N 15 115.7 0.2 . 1 . . . . 98 SER N . 16564 1
1154 . 1 1 99 99 GLY H H 1 8.42 0.02 . 1 . . . . 99 GLY H . 16564 1
1155 . 1 1 99 99 GLY HA2 H 1 3.97 0.02 . 2 . . . . 99 GLY HA2 . 16564 1
1156 . 1 1 99 99 GLY HA3 H 1 4.01 0.02 . 2 . . . . 99 GLY HA3 . 16564 1
1157 . 1 1 99 99 GLY C C 13 173.4 0.2 . 1 . . . . 99 GLY C . 16564 1
1158 . 1 1 99 99 GLY CA C 13 45.4 0.2 . 1 . . . . 99 GLY CA . 16564 1
1159 . 1 1 99 99 GLY N N 15 111.6 0.2 . 1 . . . . 99 GLY N . 16564 1
1160 . 1 1 100 100 SER H H 1 7.90 0.02 . 1 . . . . 100 SER H . 16564 1
1161 . 1 1 100 100 SER HA H 1 4.27 0.02 . 1 . . . . 100 SER HA . 16564 1
1162 . 1 1 100 100 SER CA C 13 59.9 0.2 . 1 . . . . 100 SER CA . 16564 1
1163 . 1 1 100 100 SER CB C 13 64.8 0.2 . 1 . . . . 100 SER CB . 16564 1
1164 . 1 1 100 100 SER N N 15 121.3 0.2 . 1 . . . . 100 SER N . 16564 1
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