data_11282
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11282
_Entry.Title
;
Solution Structure of the UBA domain in Human Protein FAM100B
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-08-09
_Entry.Accession_date 2010-08-09
_Entry.Last_release_date 2011-08-18
_Entry.Original_release_date 2011-08-18
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.14
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 C. Zhao . . . 11282
2 M. Sato . . . 11282
3 S. Koshiba . . . 11282
4 S. Watanabe . . . 11282
5 T. Harada . . . 11282
6 T. Kigawa . . . 11282
7 S. Yokoyama . . . 11282
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
. 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11282
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 11282
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 234 11282
'15N chemical shifts' 63 11282
'1H chemical shifts' 373 11282
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2011-08-18 2010-08-09 original author . 11282
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2DZL 'BMRB Entry Tracking System' 11282
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 11282
_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 'Solution Structure of the UBA domain in Human Protein FAM100B'
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev .
_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 C. Zhao . . . 11282 1
2 M. Sato . . . 11282 1
3 S. Koshiba . . . 11282 1
4 S. Watanabe . . . 11282 1
5 T. Harada . . . 11282 1
6 T. Kigawa . . . 11282 1
7 S. Yokoyama . . . 11282 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 11282
_Assembly.ID 1
_Assembly.Name 'Protein FAM100B'
_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 'UBA-like domain, residues 8-66' 1 $entity_1 A . yes native no no . . . 11282 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
yes PDB 2dzl . . . . . . 11282 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 11282
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'UBA-like domain, residues 8-66'
_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
;
GSSGSSGMSVNMDELRHQVM
INQFVLAAGCAADQAKQLLQ
AAHWQFETALSTFFQETNIP
NSHHHH
;
_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 66
_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 2015-11-26
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2DZL . "Solution Structure Of The Uba Domain In Human Protein Fam100b" . . . . . 100.00 66 100.00 100.00 1.04e-39 . . . . 11282 1
2 no GB AAH35511 . "Family with sequence similarity 100, member B [Homo sapiens]" . . . . . 89.39 164 100.00 100.00 1.60e-34 . . . . 11282 1
3 no GB AAH60859 . "Family with sequence similarity 100, member B [Homo sapiens]" . . . . . 89.39 164 100.00 100.00 1.60e-34 . . . . 11282 1
4 no GB ABW03765 . "family with sequence similarity 100, member B [synthetic construct]" . . . . . 89.39 164 100.00 100.00 1.60e-34 . . . . 11282 1
5 no GB EAW89383 . "family with sequence similarity 100, member B [Homo sapiens]" . . . . . 89.39 164 100.00 100.00 1.60e-34 . . . . 11282 1
6 no GB EHA99413 . "Protein FAM100B [Heterocephalus glaber]" . . . . . 87.88 164 98.28 98.28 9.22e-33 . . . . 11282 1
7 no REF NP_872371 . "UBA-like domain-containing protein 2 [Homo sapiens]" . . . . . 89.39 164 100.00 100.00 1.60e-34 . . . . 11282 1
8 no REF XP_001151089 . "PREDICTED: UBA-like domain-containing protein 2 [Pan troglodytes]" . . . . . 89.39 164 100.00 100.00 1.60e-34 . . . . 11282 1
9 no REF XP_002696214 . "PREDICTED: UBA-like domain-containing protein 2 isoform X2 [Bos taurus]" . . . . . 89.39 166 98.31 98.31 1.14e-33 . . . . 11282 1
10 no REF XP_003340352 . "PREDICTED: LOW QUALITY PROTEIN: UBA-like domain-containing protein 2 [Monodelphis domestica]" . . . . . 89.39 166 98.31 100.00 9.59e-34 . . . . 11282 1
11 no REF XP_003358005 . "PREDICTED: UBA-like domain-containing protein 2 isoform X2 [Sus scrofa]" . . . . . 89.39 166 100.00 100.00 2.12e-34 . . . . 11282 1
12 no SP Q8IYN6 . "RecName: Full=UBA-like domain-containing protein 2" . . . . . 89.39 164 100.00 100.00 1.60e-34 . . . . 11282 1
13 no TPG DAA18129 . "TPA: hypothetical protein BOS_19471 [Bos taurus]" . . . . . 89.39 166 98.31 98.31 1.14e-33 . . . . 11282 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'UBA-like domain, residues 8-66' . 11282 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . GLY . 11282 1
2 . SER . 11282 1
3 . SER . 11282 1
4 . GLY . 11282 1
5 . SER . 11282 1
6 . SER . 11282 1
7 . GLY . 11282 1
8 . MET . 11282 1
9 . SER . 11282 1
10 . VAL . 11282 1
11 . ASN . 11282 1
12 . MET . 11282 1
13 . ASP . 11282 1
14 . GLU . 11282 1
15 . LEU . 11282 1
16 . ARG . 11282 1
17 . HIS . 11282 1
18 . GLN . 11282 1
19 . VAL . 11282 1
20 . MET . 11282 1
21 . ILE . 11282 1
22 . ASN . 11282 1
23 . GLN . 11282 1
24 . PHE . 11282 1
25 . VAL . 11282 1
26 . LEU . 11282 1
27 . ALA . 11282 1
28 . ALA . 11282 1
29 . GLY . 11282 1
30 . CYS . 11282 1
31 . ALA . 11282 1
32 . ALA . 11282 1
33 . ASP . 11282 1
34 . GLN . 11282 1
35 . ALA . 11282 1
36 . LYS . 11282 1
37 . GLN . 11282 1
38 . LEU . 11282 1
39 . LEU . 11282 1
40 . GLN . 11282 1
41 . ALA . 11282 1
42 . ALA . 11282 1
43 . HIS . 11282 1
44 . TRP . 11282 1
45 . GLN . 11282 1
46 . PHE . 11282 1
47 . GLU . 11282 1
48 . THR . 11282 1
49 . ALA . 11282 1
50 . LEU . 11282 1
51 . SER . 11282 1
52 . THR . 11282 1
53 . PHE . 11282 1
54 . PHE . 11282 1
55 . GLN . 11282 1
56 . GLU . 11282 1
57 . THR . 11282 1
58 . ASN . 11282 1
59 . ILE . 11282 1
60 . PRO . 11282 1
61 . ASN . 11282 1
62 . SER . 11282 1
63 . HIS . 11282 1
64 . HIS . 11282 1
65 . HIS . 11282 1
66 . HIS . 11282 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 11282 1
. SER 2 2 11282 1
. SER 3 3 11282 1
. GLY 4 4 11282 1
. SER 5 5 11282 1
. SER 6 6 11282 1
. GLY 7 7 11282 1
. MET 8 8 11282 1
. SER 9 9 11282 1
. VAL 10 10 11282 1
. ASN 11 11 11282 1
. MET 12 12 11282 1
. ASP 13 13 11282 1
. GLU 14 14 11282 1
. LEU 15 15 11282 1
. ARG 16 16 11282 1
. HIS 17 17 11282 1
. GLN 18 18 11282 1
. VAL 19 19 11282 1
. MET 20 20 11282 1
. ILE 21 21 11282 1
. ASN 22 22 11282 1
. GLN 23 23 11282 1
. PHE 24 24 11282 1
. VAL 25 25 11282 1
. LEU 26 26 11282 1
. ALA 27 27 11282 1
. ALA 28 28 11282 1
. GLY 29 29 11282 1
. CYS 30 30 11282 1
. ALA 31 31 11282 1
. ALA 32 32 11282 1
. ASP 33 33 11282 1
. GLN 34 34 11282 1
. ALA 35 35 11282 1
. LYS 36 36 11282 1
. GLN 37 37 11282 1
. LEU 38 38 11282 1
. LEU 39 39 11282 1
. GLN 40 40 11282 1
. ALA 41 41 11282 1
. ALA 42 42 11282 1
. HIS 43 43 11282 1
. TRP 44 44 11282 1
. GLN 45 45 11282 1
. PHE 46 46 11282 1
. GLU 47 47 11282 1
. THR 48 48 11282 1
. ALA 49 49 11282 1
. LEU 50 50 11282 1
. SER 51 51 11282 1
. THR 52 52 11282 1
. PHE 53 53 11282 1
. PHE 54 54 11282 1
. GLN 55 55 11282 1
. GLU 56 56 11282 1
. THR 57 57 11282 1
. ASN 58 58 11282 1
. ILE 59 59 11282 1
. PRO 60 60 11282 1
. ASN 61 61 11282 1
. SER 62 62 11282 1
. HIS 63 63 11282 1
. HIS 64 64 11282 1
. HIS 65 65 11282 1
. HIS 66 66 11282 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 11282
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11282 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 11282
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P060417-11 . . . . . . 11282 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 11282
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details
;
0.43mM UBA-like domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;}
1mM {d-DTT;} 0.02% {NaN3;} 10% D2O, 90% H2O
;
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O, 10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'UBA-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.43 . . mM . . . . 11282 1
2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11282 1
3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11282 1
4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11282 1
5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11282 1
6 H2O . . . . . . solvent 90 . . % . . . . 11282 1
7 D2O . . . . . . solvent 10 . . % . . . . 11282 1
stop_
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode condition_1
_Sample_condition_list.Entry_ID 11282
_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' 120 0.1 mM 11282 1
pH 7.0 0.05 pH 11282 1
pressure 1 0.001 atm 11282 1
temperature 296.0 0.1 K 11282 1
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Software.Sf_category software
_Software.Sf_framecode XWINNMR
_Software.Entry_ID 11282
_Software.ID 1
_Software.Name xwinnmr
_Software.Version 2.6
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Bruker . . 11282 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 11282 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 11282
_Software.ID 2
_Software.Name NMRPipe
_Software.Version 20031121
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, F.' . . 11282 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 11282 2
stop_
save_
save_NMRView
_Software.Sf_category software
_Software.Sf_framecode NMRView
_Software.Entry_ID 11282
_Software.ID 3
_Software.Name NMRView
_Software.Version 5.0.4
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Johnson, B. A.' . . 11282 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11282 3
stop_
save_
save_Kujira
_Software.Sf_category software
_Software.Sf_framecode Kujira
_Software.Entry_ID 11282
_Software.ID 4
_Software.Name Kujira
_Software.Version 0.9748
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Kobayashi, N.' . . 11282 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11282 4
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 11282
_Software.ID 5
_Software.Name CYANA
_Software.Version 2.0.17
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, P.' . . 11282 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 11282 5
'structure solution' 11282 5
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 11282
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AVANCE
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 11282
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker AVANCE . 800 . . . 11282 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 11282
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11282 1
2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11282 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode reference_1
_Chem_shift_reference.Entry_ID 11282
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
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 0.0 . indirect 0.251449530 . . . . . . . . . 11282 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11282 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11282 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_1
_Assigned_chem_shift_list.Entry_ID 11282
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11282 1
2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11282 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
1 $XWINNMR . . 11282 1
2 $NMRPipe . . 11282 1
3 $NMRView . . 11282 1
4 $Kujira . . 11282 1
5 $CYANA . . 11282 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 9 9 SER HA H 1 4.465 0.030 . 1 . . . . 9 SER HA . 11282 1
2 . 1 1 9 9 SER HB2 H 1 3.853 0.030 . 2 . . . . 9 SER HB2 . 11282 1
3 . 1 1 9 9 SER C C 13 174.474 0.300 . 1 . . . . 9 SER C . 11282 1
4 . 1 1 9 9 SER CA C 13 58.399 0.300 . 1 . . . . 9 SER CA . 11282 1
5 . 1 1 9 9 SER CB C 13 63.549 0.300 . 1 . . . . 9 SER CB . 11282 1
6 . 1 1 10 10 VAL H H 1 8.121 0.030 . 1 . . . . 10 VAL H . 11282 1
7 . 1 1 10 10 VAL HA H 1 4.088 0.030 . 1 . . . . 10 VAL HA . 11282 1
8 . 1 1 10 10 VAL HB H 1 2.042 0.030 . 1 . . . . 10 VAL HB . 11282 1
9 . 1 1 10 10 VAL HG11 H 1 0.896 0.030 . 1 . . . . 10 VAL HG1 . 11282 1
10 . 1 1 10 10 VAL HG12 H 1 0.896 0.030 . 1 . . . . 10 VAL HG1 . 11282 1
11 . 1 1 10 10 VAL HG13 H 1 0.896 0.030 . 1 . . . . 10 VAL HG1 . 11282 1
12 . 1 1 10 10 VAL C C 13 175.646 0.300 . 1 . . . . 10 VAL C . 11282 1
13 . 1 1 10 10 VAL CA C 13 62.304 0.300 . 1 . . . . 10 VAL CA . 11282 1
14 . 1 1 10 10 VAL CB C 13 32.880 0.300 . 1 . . . . 10 VAL CB . 11282 1
15 . 1 1 10 10 VAL CG1 C 13 20.997 0.300 . 2 . . . . 10 VAL CG1 . 11282 1
16 . 1 1 10 10 VAL N N 15 121.426 0.300 . 1 . . . . 10 VAL N . 11282 1
17 . 1 1 11 11 ASN H H 1 8.475 0.030 . 1 . . . . 11 ASN H . 11282 1
18 . 1 1 11 11 ASN HA H 1 4.677 0.030 . 1 . . . . 11 ASN HA . 11282 1
19 . 1 1 11 11 ASN HB2 H 1 2.770 0.030 . 2 . . . . 11 ASN HB2 . 11282 1
20 . 1 1 11 11 ASN HB3 H 1 2.874 0.030 . 2 . . . . 11 ASN HB3 . 11282 1
21 . 1 1 11 11 ASN HD21 H 1 7.638 0.030 . 2 . . . . 11 ASN HD21 . 11282 1
22 . 1 1 11 11 ASN HD22 H 1 6.995 0.030 . 2 . . . . 11 ASN HD22 . 11282 1
23 . 1 1 11 11 ASN C C 13 175.738 0.300 . 1 . . . . 11 ASN C . 11282 1
24 . 1 1 11 11 ASN CA C 13 53.157 0.300 . 1 . . . . 11 ASN CA . 11282 1
25 . 1 1 11 11 ASN CB C 13 38.614 0.300 . 1 . . . . 11 ASN CB . 11282 1
26 . 1 1 11 11 ASN N N 15 122.398 0.300 . 1 . . . . 11 ASN N . 11282 1
27 . 1 1 11 11 ASN ND2 N 15 113.003 0.300 . 1 . . . . 11 ASN ND2 . 11282 1
28 . 1 1 12 12 MET H H 1 8.501 0.030 . 1 . . . . 12 MET H . 11282 1
29 . 1 1 12 12 MET HA H 1 4.298 0.030 . 1 . . . . 12 MET HA . 11282 1
30 . 1 1 12 12 MET HB2 H 1 2.020 0.030 . 1 . . . . 12 MET HB2 . 11282 1
31 . 1 1 12 12 MET HB3 H 1 2.020 0.030 . 1 . . . . 12 MET HB3 . 11282 1
32 . 1 1 12 12 MET HE1 H 1 2.062 0.030 . 1 . . . . 12 MET HE . 11282 1
33 . 1 1 12 12 MET HE2 H 1 2.062 0.030 . 1 . . . . 12 MET HE . 11282 1
34 . 1 1 12 12 MET HE3 H 1 2.062 0.030 . 1 . . . . 12 MET HE . 11282 1
35 . 1 1 12 12 MET HG2 H 1 2.616 0.030 . 2 . . . . 12 MET HG2 . 11282 1
36 . 1 1 12 12 MET HG3 H 1 2.520 0.030 . 2 . . . . 12 MET HG3 . 11282 1
37 . 1 1 12 12 MET C C 13 177.246 0.300 . 1 . . . . 12 MET C . 11282 1
38 . 1 1 12 12 MET CA C 13 56.717 0.300 . 1 . . . . 12 MET CA . 11282 1
39 . 1 1 12 12 MET CB C 13 32.151 0.300 . 1 . . . . 12 MET CB . 11282 1
40 . 1 1 12 12 MET CE C 13 16.988 0.300 . 1 . . . . 12 MET CE . 11282 1
41 . 1 1 12 12 MET CG C 13 32.151 0.300 . 1 . . . . 12 MET CG . 11282 1
42 . 1 1 12 12 MET N N 15 122.212 0.300 . 1 . . . . 12 MET N . 11282 1
43 . 1 1 13 13 ASP H H 1 8.135 0.030 . 1 . . . . 13 ASP H . 11282 1
44 . 1 1 13 13 ASP HA H 1 4.231 0.030 . 1 . . . . 13 ASP HA . 11282 1
45 . 1 1 13 13 ASP HB2 H 1 2.198 0.030 . 2 . . . . 13 ASP HB2 . 11282 1
46 . 1 1 13 13 ASP HB3 H 1 2.493 0.030 . 2 . . . . 13 ASP HB3 . 11282 1
47 . 1 1 13 13 ASP C C 13 176.982 0.300 . 1 . . . . 13 ASP C . 11282 1
48 . 1 1 13 13 ASP CA C 13 56.203 0.300 . 1 . . . . 13 ASP CA . 11282 1
49 . 1 1 13 13 ASP CB C 13 40.532 0.300 . 1 . . . . 13 ASP CB . 11282 1
50 . 1 1 13 13 ASP N N 15 120.483 0.300 . 1 . . . . 13 ASP N . 11282 1
51 . 1 1 14 14 GLU H H 1 7.878 0.030 . 1 . . . . 14 GLU H . 11282 1
52 . 1 1 14 14 GLU HA H 1 3.757 0.030 . 1 . . . . 14 GLU HA . 11282 1
53 . 1 1 14 14 GLU HB2 H 1 1.924 0.030 . 1 . . . . 14 GLU HB2 . 11282 1
54 . 1 1 14 14 GLU HB3 H 1 1.924 0.030 . 1 . . . . 14 GLU HB3 . 11282 1
55 . 1 1 14 14 GLU HG2 H 1 2.211 0.030 . 1 . . . . 14 GLU HG2 . 11282 1
56 . 1 1 14 14 GLU HG3 H 1 2.211 0.030 . 1 . . . . 14 GLU HG3 . 11282 1
57 . 1 1 14 14 GLU C C 13 178.737 0.300 . 1 . . . . 14 GLU C . 11282 1
58 . 1 1 14 14 GLU CA C 13 58.666 0.300 . 1 . . . . 14 GLU CA . 11282 1
59 . 1 1 14 14 GLU CB C 13 29.386 0.300 . 1 . . . . 14 GLU CB . 11282 1
60 . 1 1 14 14 GLU CG C 13 36.371 0.300 . 1 . . . . 14 GLU CG . 11282 1
61 . 1 1 14 14 GLU N N 15 119.427 0.300 . 1 . . . . 14 GLU N . 11282 1
62 . 1 1 15 15 LEU H H 1 7.830 0.030 . 1 . . . . 15 LEU H . 11282 1
63 . 1 1 15 15 LEU HA H 1 4.086 0.030 . 1 . . . . 15 LEU HA . 11282 1
64 . 1 1 15 15 LEU HB2 H 1 1.677 0.030 . 2 . . . . 15 LEU HB2 . 11282 1
65 . 1 1 15 15 LEU HB3 H 1 1.629 0.030 . 2 . . . . 15 LEU HB3 . 11282 1
66 . 1 1 15 15 LEU HD11 H 1 0.892 0.030 . 1 . . . . 15 LEU HD1 . 11282 1
67 . 1 1 15 15 LEU HD12 H 1 0.892 0.030 . 1 . . . . 15 LEU HD1 . 11282 1
68 . 1 1 15 15 LEU HD13 H 1 0.892 0.030 . 1 . . . . 15 LEU HD1 . 11282 1
69 . 1 1 15 15 LEU HD21 H 1 0.844 0.030 . 1 . . . . 15 LEU HD2 . 11282 1
70 . 1 1 15 15 LEU HD22 H 1 0.844 0.030 . 1 . . . . 15 LEU HD2 . 11282 1
71 . 1 1 15 15 LEU HD23 H 1 0.844 0.030 . 1 . . . . 15 LEU HD2 . 11282 1
72 . 1 1 15 15 LEU C C 13 179.041 0.300 . 1 . . . . 15 LEU C . 11282 1
73 . 1 1 15 15 LEU CA C 13 57.935 0.300 . 1 . . . . 15 LEU CA . 11282 1
74 . 1 1 15 15 LEU CB C 13 41.417 0.300 . 1 . . . . 15 LEU CB . 11282 1
75 . 1 1 15 15 LEU CD1 C 13 24.649 0.300 . 2 . . . . 15 LEU CD1 . 11282 1
76 . 1 1 15 15 LEU CD2 C 13 23.946 0.300 . 2 . . . . 15 LEU CD2 . 11282 1
77 . 1 1 15 15 LEU N N 15 120.839 0.300 . 1 . . . . 15 LEU N . 11282 1
78 . 1 1 16 16 ARG H H 1 7.902 0.030 . 1 . . . . 16 ARG H . 11282 1
79 . 1 1 16 16 ARG HA H 1 3.981 0.030 . 1 . . . . 16 ARG HA . 11282 1
80 . 1 1 16 16 ARG HB2 H 1 1.799 0.030 . 2 . . . . 16 ARG HB2 . 11282 1
81 . 1 1 16 16 ARG HB3 H 1 1.765 0.030 . 2 . . . . 16 ARG HB3 . 11282 1
82 . 1 1 16 16 ARG HD2 H 1 3.191 0.030 . 1 . . . . 16 ARG HD2 . 11282 1
83 . 1 1 16 16 ARG HD3 H 1 3.191 0.030 . 1 . . . . 16 ARG HD3 . 11282 1
84 . 1 1 16 16 ARG HG2 H 1 1.675 0.030 . 2 . . . . 16 ARG HG2 . 11282 1
85 . 1 1 16 16 ARG HG3 H 1 1.543 0.030 . 2 . . . . 16 ARG HG3 . 11282 1
86 . 1 1 16 16 ARG C C 13 179.490 0.300 . 1 . . . . 16 ARG C . 11282 1
87 . 1 1 16 16 ARG CA C 13 59.059 0.300 . 1 . . . . 16 ARG CA . 11282 1
88 . 1 1 16 16 ARG CB C 13 29.701 0.300 . 1 . . . . 16 ARG CB . 11282 1
89 . 1 1 16 16 ARG CD C 13 43.283 0.300 . 1 . . . . 16 ARG CD . 11282 1
90 . 1 1 16 16 ARG CG C 13 28.069 0.300 . 1 . . . . 16 ARG CG . 11282 1
91 . 1 1 16 16 ARG N N 15 118.472 0.300 . 1 . . . . 16 ARG N . 11282 1
92 . 1 1 17 17 HIS H H 1 7.977 0.030 . 1 . . . . 17 HIS H . 11282 1
93 . 1 1 17 17 HIS HA H 1 4.223 0.030 . 1 . . . . 17 HIS HA . 11282 1
94 . 1 1 17 17 HIS HB2 H 1 2.906 0.030 . 2 . . . . 17 HIS HB2 . 11282 1
95 . 1 1 17 17 HIS HB3 H 1 2.583 0.030 . 2 . . . . 17 HIS HB3 . 11282 1
96 . 1 1 17 17 HIS HD2 H 1 5.913 0.030 . 1 . . . . 17 HIS HD2 . 11282 1
97 . 1 1 17 17 HIS HE1 H 1 7.009 0.030 . 1 . . . . 17 HIS HE1 . 11282 1
98 . 1 1 17 17 HIS C C 13 176.723 0.300 . 1 . . . . 17 HIS C . 11282 1
99 . 1 1 17 17 HIS CA C 13 57.201 0.300 . 1 . . . . 17 HIS CA . 11282 1
100 . 1 1 17 17 HIS CB C 13 28.975 0.300 . 1 . . . . 17 HIS CB . 11282 1
101 . 1 1 17 17 HIS CD2 C 13 116.886 0.300 . 1 . . . . 17 HIS CD2 . 11282 1
102 . 1 1 17 17 HIS CE1 C 13 133.129 0.300 . 1 . . . . 17 HIS CE1 . 11282 1
103 . 1 1 17 17 HIS N N 15 117.998 0.300 . 1 . . . . 17 HIS N . 11282 1
104 . 1 1 18 18 GLN H H 1 8.084 0.030 . 1 . . . . 18 GLN H . 11282 1
105 . 1 1 18 18 GLN HA H 1 4.013 0.030 . 1 . . . . 18 GLN HA . 11282 1
106 . 1 1 18 18 GLN HB2 H 1 2.231 0.030 . 2 . . . . 18 GLN HB2 . 11282 1
107 . 1 1 18 18 GLN HB3 H 1 2.279 0.030 . 2 . . . . 18 GLN HB3 . 11282 1
108 . 1 1 18 18 GLN HE21 H 1 7.434 0.030 . 2 . . . . 18 GLN HE21 . 11282 1
109 . 1 1 18 18 GLN HE22 H 1 6.943 0.030 . 2 . . . . 18 GLN HE22 . 11282 1
110 . 1 1 18 18 GLN HG2 H 1 2.472 0.030 . 1 . . . . 18 GLN HG2 . 11282 1
111 . 1 1 18 18 GLN HG3 H 1 2.472 0.030 . 1 . . . . 18 GLN HG3 . 11282 1
112 . 1 1 18 18 GLN C C 13 178.578 0.300 . 1 . . . . 18 GLN C . 11282 1
113 . 1 1 18 18 GLN CA C 13 59.228 0.300 . 1 . . . . 18 GLN CA . 11282 1
114 . 1 1 18 18 GLN CB C 13 28.414 0.300 . 1 . . . . 18 GLN CB . 11282 1
115 . 1 1 18 18 GLN CG C 13 34.863 0.300 . 1 . . . . 18 GLN CG . 11282 1
116 . 1 1 18 18 GLN N N 15 119.116 0.300 . 1 . . . . 18 GLN N . 11282 1
117 . 1 1 18 18 GLN NE2 N 15 111.556 0.300 . 1 . . . . 18 GLN NE2 . 11282 1
118 . 1 1 19 19 VAL H H 1 8.033 0.030 . 1 . . . . 19 VAL H . 11282 1
119 . 1 1 19 19 VAL HA H 1 3.759 0.030 . 1 . . . . 19 VAL HA . 11282 1
120 . 1 1 19 19 VAL HB H 1 2.181 0.030 . 1 . . . . 19 VAL HB . 11282 1
121 . 1 1 19 19 VAL HG11 H 1 0.946 0.030 . 1 . . . . 19 VAL HG1 . 11282 1
122 . 1 1 19 19 VAL HG12 H 1 0.946 0.030 . 1 . . . . 19 VAL HG1 . 11282 1
123 . 1 1 19 19 VAL HG13 H 1 0.946 0.030 . 1 . . . . 19 VAL HG1 . 11282 1
124 . 1 1 19 19 VAL HG21 H 1 1.085 0.030 . 1 . . . . 19 VAL HG2 . 11282 1
125 . 1 1 19 19 VAL HG22 H 1 1.085 0.030 . 1 . . . . 19 VAL HG2 . 11282 1
126 . 1 1 19 19 VAL HG23 H 1 1.085 0.030 . 1 . . . . 19 VAL HG2 . 11282 1
127 . 1 1 19 19 VAL C C 13 178.615 0.300 . 1 . . . . 19 VAL C . 11282 1
128 . 1 1 19 19 VAL CA C 13 66.726 0.300 . 1 . . . . 19 VAL CA . 11282 1
129 . 1 1 19 19 VAL CB C 13 31.893 0.300 . 1 . . . . 19 VAL CB . 11282 1
130 . 1 1 19 19 VAL CG1 C 13 20.997 0.300 . 2 . . . . 19 VAL CG1 . 11282 1
131 . 1 1 19 19 VAL CG2 C 13 22.806 0.300 . 2 . . . . 19 VAL CG2 . 11282 1
132 . 1 1 19 19 VAL N N 15 119.510 0.300 . 1 . . . . 19 VAL N . 11282 1
133 . 1 1 20 20 MET H H 1 7.932 0.030 . 1 . . . . 20 MET H . 11282 1
134 . 1 1 20 20 MET HA H 1 4.235 0.030 . 1 . . . . 20 MET HA . 11282 1
135 . 1 1 20 20 MET HB2 H 1 2.705 0.030 . 2 . . . . 20 MET HB2 . 11282 1
136 . 1 1 20 20 MET HB3 H 1 2.410 0.030 . 2 . . . . 20 MET HB3 . 11282 1
137 . 1 1 20 20 MET HE1 H 1 2.492 0.030 . 1 . . . . 20 MET HE . 11282 1
138 . 1 1 20 20 MET HE2 H 1 2.492 0.030 . 1 . . . . 20 MET HE . 11282 1
139 . 1 1 20 20 MET HE3 H 1 2.492 0.030 . 1 . . . . 20 MET HE . 11282 1
140 . 1 1 20 20 MET HG2 H 1 2.759 0.030 . 2 . . . . 20 MET HG2 . 11282 1
141 . 1 1 20 20 MET HG3 H 1 3.023 0.030 . 2 . . . . 20 MET HG3 . 11282 1
142 . 1 1 20 20 MET C C 13 178.721 0.300 . 1 . . . . 20 MET C . 11282 1
143 . 1 1 20 20 MET CA C 13 60.337 0.300 . 1 . . . . 20 MET CA . 11282 1
144 . 1 1 20 20 MET CB C 13 34.401 0.300 . 1 . . . . 20 MET CB . 11282 1
145 . 1 1 20 20 MET CE C 13 17.959 0.300 . 1 . . . . 20 MET CE . 11282 1
146 . 1 1 20 20 MET CG C 13 33.661 0.300 . 1 . . . . 20 MET CG . 11282 1
147 . 1 1 20 20 MET N N 15 119.423 0.300 . 1 . . . . 20 MET N . 11282 1
148 . 1 1 21 21 ILE H H 1 8.656 0.030 . 1 . . . . 21 ILE H . 11282 1
149 . 1 1 21 21 ILE HA H 1 3.454 0.030 . 1 . . . . 21 ILE HA . 11282 1
150 . 1 1 21 21 ILE HB H 1 2.052 0.030 . 1 . . . . 21 ILE HB . 11282 1
151 . 1 1 21 21 ILE HD11 H 1 1.070 0.030 . 1 . . . . 21 ILE HD1 . 11282 1
152 . 1 1 21 21 ILE HD12 H 1 1.070 0.030 . 1 . . . . 21 ILE HD1 . 11282 1
153 . 1 1 21 21 ILE HD13 H 1 1.070 0.030 . 1 . . . . 21 ILE HD1 . 11282 1
154 . 1 1 21 21 ILE HG12 H 1 2.211 0.030 . 2 . . . . 21 ILE HG12 . 11282 1
155 . 1 1 21 21 ILE HG13 H 1 0.723 0.030 . 2 . . . . 21 ILE HG13 . 11282 1
156 . 1 1 21 21 ILE HG21 H 1 1.000 0.030 . 1 . . . . 21 ILE HG2 . 11282 1
157 . 1 1 21 21 ILE HG22 H 1 1.000 0.030 . 1 . . . . 21 ILE HG2 . 11282 1
158 . 1 1 21 21 ILE HG23 H 1 1.000 0.030 . 1 . . . . 21 ILE HG2 . 11282 1
159 . 1 1 21 21 ILE C C 13 177.394 0.300 . 1 . . . . 21 ILE C . 11282 1
160 . 1 1 21 21 ILE CA C 13 66.489 0.300 . 1 . . . . 21 ILE CA . 11282 1
161 . 1 1 21 21 ILE CB C 13 38.517 0.300 . 1 . . . . 21 ILE CB . 11282 1
162 . 1 1 21 21 ILE CD1 C 13 14.830 0.300 . 1 . . . . 21 ILE CD1 . 11282 1
163 . 1 1 21 21 ILE CG1 C 13 31.030 0.300 . 1 . . . . 21 ILE CG1 . 11282 1
164 . 1 1 21 21 ILE CG2 C 13 17.461 0.300 . 1 . . . . 21 ILE CG2 . 11282 1
165 . 1 1 21 21 ILE N N 15 120.496 0.300 . 1 . . . . 21 ILE N . 11282 1
166 . 1 1 22 22 ASN H H 1 8.091 0.030 . 1 . . . . 22 ASN H . 11282 1
167 . 1 1 22 22 ASN HA H 1 4.445 0.030 . 1 . . . . 22 ASN HA . 11282 1
168 . 1 1 22 22 ASN HB2 H 1 3.049 0.030 . 2 . . . . 22 ASN HB2 . 11282 1
169 . 1 1 22 22 ASN HB3 H 1 2.885 0.030 . 2 . . . . 22 ASN HB3 . 11282 1
170 . 1 1 22 22 ASN HD21 H 1 7.675 0.030 . 2 . . . . 22 ASN HD21 . 11282 1
171 . 1 1 22 22 ASN HD22 H 1 6.995 0.030 . 2 . . . . 22 ASN HD22 . 11282 1
172 . 1 1 22 22 ASN C C 13 178.660 0.300 . 1 . . . . 22 ASN C . 11282 1
173 . 1 1 22 22 ASN CA C 13 56.410 0.300 . 1 . . . . 22 ASN CA . 11282 1
174 . 1 1 22 22 ASN CB C 13 37.871 0.300 . 1 . . . . 22 ASN CB . 11282 1
175 . 1 1 22 22 ASN N N 15 117.760 0.300 . 1 . . . . 22 ASN N . 11282 1
176 . 1 1 22 22 ASN ND2 N 15 111.842 0.300 . 1 . . . . 22 ASN ND2 . 11282 1
177 . 1 1 23 23 GLN H H 1 8.597 0.030 . 1 . . . . 23 GLN H . 11282 1
178 . 1 1 23 23 GLN HA H 1 4.089 0.030 . 1 . . . . 23 GLN HA . 11282 1
179 . 1 1 23 23 GLN HB2 H 1 2.347 0.030 . 2 . . . . 23 GLN HB2 . 11282 1
180 . 1 1 23 23 GLN HB3 H 1 2.060 0.030 . 2 . . . . 23 GLN HB3 . 11282 1
181 . 1 1 23 23 GLN HE21 H 1 6.557 0.030 . 2 . . . . 23 GLN HE21 . 11282 1
182 . 1 1 23 23 GLN HE22 H 1 7.052 0.030 . 2 . . . . 23 GLN HE22 . 11282 1
183 . 1 1 23 23 GLN HG2 H 1 2.546 0.030 . 1 . . . . 23 GLN HG2 . 11282 1
184 . 1 1 23 23 GLN HG3 H 1 2.546 0.030 . 1 . . . . 23 GLN HG3 . 11282 1
185 . 1 1 23 23 GLN C C 13 178.820 0.300 . 1 . . . . 23 GLN C . 11282 1
186 . 1 1 23 23 GLN CA C 13 58.811 0.300 . 1 . . . . 23 GLN CA . 11282 1
187 . 1 1 23 23 GLN CB C 13 28.869 0.300 . 1 . . . . 23 GLN CB . 11282 1
188 . 1 1 23 23 GLN CG C 13 34.072 0.300 . 1 . . . . 23 GLN CG . 11282 1
189 . 1 1 23 23 GLN N N 15 119.118 0.300 . 1 . . . . 23 GLN N . 11282 1
190 . 1 1 23 23 GLN NE2 N 15 110.634 0.300 . 1 . . . . 23 GLN NE2 . 11282 1
191 . 1 1 24 24 PHE H H 1 9.102 0.030 . 1 . . . . 24 PHE H . 11282 1
192 . 1 1 24 24 PHE HA H 1 3.970 0.030 . 1 . . . . 24 PHE HA . 11282 1
193 . 1 1 24 24 PHE HB2 H 1 3.296 0.030 . 1 . . . . 24 PHE HB2 . 11282 1
194 . 1 1 24 24 PHE HB3 H 1 3.296 0.030 . 1 . . . . 24 PHE HB3 . 11282 1
195 . 1 1 24 24 PHE HD1 H 1 6.470 0.030 . 1 . . . . 24 PHE HD1 . 11282 1
196 . 1 1 24 24 PHE HD2 H 1 6.470 0.030 . 1 . . . . 24 PHE HD2 . 11282 1
197 . 1 1 24 24 PHE HE1 H 1 6.545 0.030 . 1 . . . . 24 PHE HE1 . 11282 1
198 . 1 1 24 24 PHE HE2 H 1 6.545 0.030 . 1 . . . . 24 PHE HE2 . 11282 1
199 . 1 1 24 24 PHE HZ H 1 6.679 0.030 . 1 . . . . 24 PHE HZ . 11282 1
200 . 1 1 24 24 PHE C C 13 177.164 0.300 . 1 . . . . 24 PHE C . 11282 1
201 . 1 1 24 24 PHE CA C 13 62.052 0.300 . 1 . . . . 24 PHE CA . 11282 1
202 . 1 1 24 24 PHE CB C 13 40.202 0.300 . 1 . . . . 24 PHE CB . 11282 1
203 . 1 1 24 24 PHE CD1 C 13 131.368 0.300 . 1 . . . . 24 PHE CD1 . 11282 1
204 . 1 1 24 24 PHE CD2 C 13 131.368 0.300 . 1 . . . . 24 PHE CD2 . 11282 1
205 . 1 1 24 24 PHE CE1 C 13 130.657 0.300 . 1 . . . . 24 PHE CE1 . 11282 1
206 . 1 1 24 24 PHE CE2 C 13 130.657 0.300 . 1 . . . . 24 PHE CE2 . 11282 1
207 . 1 1 24 24 PHE CZ C 13 128.779 0.300 . 1 . . . . 24 PHE CZ . 11282 1
208 . 1 1 24 24 PHE N N 15 124.697 0.300 . 1 . . . . 24 PHE N . 11282 1
209 . 1 1 25 25 VAL H H 1 8.745 0.030 . 1 . . . . 25 VAL H . 11282 1
210 . 1 1 25 25 VAL HA H 1 3.700 0.030 . 1 . . . . 25 VAL HA . 11282 1
211 . 1 1 25 25 VAL HB H 1 2.314 0.030 . 1 . . . . 25 VAL HB . 11282 1
212 . 1 1 25 25 VAL HG11 H 1 1.041 0.030 . 1 . . . . 25 VAL HG1 . 11282 1
213 . 1 1 25 25 VAL HG12 H 1 1.041 0.030 . 1 . . . . 25 VAL HG1 . 11282 1
214 . 1 1 25 25 VAL HG13 H 1 1.041 0.030 . 1 . . . . 25 VAL HG1 . 11282 1
215 . 1 1 25 25 VAL HG21 H 1 1.070 0.030 . 1 . . . . 25 VAL HG2 . 11282 1
216 . 1 1 25 25 VAL HG22 H 1 1.070 0.030 . 1 . . . . 25 VAL HG2 . 11282 1
217 . 1 1 25 25 VAL HG23 H 1 1.070 0.030 . 1 . . . . 25 VAL HG2 . 11282 1
218 . 1 1 25 25 VAL C C 13 179.882 0.300 . 1 . . . . 25 VAL C . 11282 1
219 . 1 1 25 25 VAL CA C 13 66.916 0.300 . 1 . . . . 25 VAL CA . 11282 1
220 . 1 1 25 25 VAL CB C 13 32.198 0.300 . 1 . . . . 25 VAL CB . 11282 1
221 . 1 1 25 25 VAL CG1 C 13 20.751 0.300 . 2 . . . . 25 VAL CG1 . 11282 1
222 . 1 1 25 25 VAL CG2 C 13 22.395 0.300 . 2 . . . . 25 VAL CG2 . 11282 1
223 . 1 1 25 25 VAL N N 15 119.322 0.300 . 1 . . . . 25 VAL N . 11282 1
224 . 1 1 26 26 LEU H H 1 7.480 0.030 . 1 . . . . 26 LEU H . 11282 1
225 . 1 1 26 26 LEU HA H 1 4.110 0.030 . 1 . . . . 26 LEU HA . 11282 1
226 . 1 1 26 26 LEU HB2 H 1 1.820 0.030 . 2 . . . . 26 LEU HB2 . 11282 1
227 . 1 1 26 26 LEU HB3 H 1 1.630 0.030 . 2 . . . . 26 LEU HB3 . 11282 1
228 . 1 1 26 26 LEU HD11 H 1 0.920 0.030 . 1 . . . . 26 LEU HD1 . 11282 1
229 . 1 1 26 26 LEU HD12 H 1 0.920 0.030 . 1 . . . . 26 LEU HD1 . 11282 1
230 . 1 1 26 26 LEU HD13 H 1 0.920 0.030 . 1 . . . . 26 LEU HD1 . 11282 1
231 . 1 1 26 26 LEU HD21 H 1 0.919 0.030 . 1 . . . . 26 LEU HD2 . 11282 1
232 . 1 1 26 26 LEU HD22 H 1 0.919 0.030 . 1 . . . . 26 LEU HD2 . 11282 1
233 . 1 1 26 26 LEU HD23 H 1 0.919 0.030 . 1 . . . . 26 LEU HD2 . 11282 1
234 . 1 1 26 26 LEU HG H 1 1.762 0.030 . 1 . . . . 26 LEU HG . 11282 1
235 . 1 1 26 26 LEU C C 13 178.556 0.300 . 1 . . . . 26 LEU C . 11282 1
236 . 1 1 26 26 LEU CA C 13 57.655 0.300 . 1 . . . . 26 LEU CA . 11282 1
237 . 1 1 26 26 LEU CB C 13 42.186 0.300 . 1 . . . . 26 LEU CB . 11282 1
238 . 1 1 26 26 LEU CD1 C 13 24.944 0.300 . 2 . . . . 26 LEU CD1 . 11282 1
239 . 1 1 26 26 LEU CD2 C 13 23.629 0.300 . 2 . . . . 26 LEU CD2 . 11282 1
240 . 1 1 26 26 LEU CG C 13 27.165 0.300 . 1 . . . . 26 LEU CG . 11282 1
241 . 1 1 26 26 LEU N N 15 118.825 0.300 . 1 . . . . 26 LEU N . 11282 1
242 . 1 1 27 27 ALA H H 1 7.804 0.030 . 1 . . . . 27 ALA H . 11282 1
243 . 1 1 27 27 ALA HA H 1 4.202 0.030 . 1 . . . . 27 ALA HA . 11282 1
244 . 1 1 27 27 ALA HB1 H 1 1.439 0.030 . 1 . . . . 27 ALA HB . 11282 1
245 . 1 1 27 27 ALA HB2 H 1 1.439 0.030 . 1 . . . . 27 ALA HB . 11282 1
246 . 1 1 27 27 ALA HB3 H 1 1.439 0.030 . 1 . . . . 27 ALA HB . 11282 1
247 . 1 1 27 27 ALA C C 13 178.862 0.300 . 1 . . . . 27 ALA C . 11282 1
248 . 1 1 27 27 ALA CA C 13 54.362 0.300 . 1 . . . . 27 ALA CA . 11282 1
249 . 1 1 27 27 ALA CB C 13 19.707 0.300 . 1 . . . . 27 ALA CB . 11282 1
250 . 1 1 27 27 ALA N N 15 120.342 0.300 . 1 . . . . 27 ALA N . 11282 1
251 . 1 1 28 28 ALA H H 1 8.690 0.030 . 1 . . . . 28 ALA H . 11282 1
252 . 1 1 28 28 ALA HA H 1 4.079 0.030 . 1 . . . . 28 ALA HA . 11282 1
253 . 1 1 28 28 ALA HB1 H 1 0.169 0.030 . 1 . . . . 28 ALA HB . 11282 1
254 . 1 1 28 28 ALA HB2 H 1 0.169 0.030 . 1 . . . . 28 ALA HB . 11282 1
255 . 1 1 28 28 ALA HB3 H 1 0.169 0.030 . 1 . . . . 28 ALA HB . 11282 1
256 . 1 1 28 28 ALA C C 13 178.399 0.300 . 1 . . . . 28 ALA C . 11282 1
257 . 1 1 28 28 ALA CA C 13 52.743 0.300 . 1 . . . . 28 ALA CA . 11282 1
258 . 1 1 28 28 ALA CB C 13 20.387 0.300 . 1 . . . . 28 ALA CB . 11282 1
259 . 1 1 28 28 ALA N N 15 117.669 0.300 . 1 . . . . 28 ALA N . 11282 1
260 . 1 1 29 29 GLY H H 1 8.064 0.030 . 1 . . . . 29 GLY H . 11282 1
261 . 1 1 29 29 GLY HA2 H 1 3.907 0.030 . 2 . . . . 29 GLY HA2 . 11282 1
262 . 1 1 29 29 GLY HA3 H 1 4.023 0.030 . 2 . . . . 29 GLY HA3 . 11282 1
263 . 1 1 29 29 GLY C C 13 174.050 0.300 . 1 . . . . 29 GLY C . 11282 1
264 . 1 1 29 29 GLY CA C 13 46.021 0.300 . 1 . . . . 29 GLY CA . 11282 1
265 . 1 1 29 29 GLY N N 15 105.299 0.300 . 1 . . . . 29 GLY N . 11282 1
266 . 1 1 30 30 CYS H H 1 6.831 0.030 . 1 . . . . 30 CYS H . 11282 1
267 . 1 1 30 30 CYS HA H 1 4.980 0.030 . 1 . . . . 30 CYS HA . 11282 1
268 . 1 1 30 30 CYS HB2 H 1 3.526 0.030 . 2 . . . . 30 CYS HB2 . 11282 1
269 . 1 1 30 30 CYS HB3 H 1 2.330 0.030 . 2 . . . . 30 CYS HB3 . 11282 1
270 . 1 1 30 30 CYS C C 13 171.840 0.300 . 1 . . . . 30 CYS C . 11282 1
271 . 1 1 30 30 CYS CA C 13 54.241 0.300 . 1 . . . . 30 CYS CA . 11282 1
272 . 1 1 30 30 CYS CB C 13 31.232 0.300 . 1 . . . . 30 CYS CB . 11282 1
273 . 1 1 30 30 CYS N N 15 113.133 0.300 . 1 . . . . 30 CYS N . 11282 1
274 . 1 1 31 31 ALA H H 1 8.425 0.030 . 1 . . . . 31 ALA H . 11282 1
275 . 1 1 31 31 ALA HA H 1 4.521 0.030 . 1 . . . . 31 ALA HA . 11282 1
276 . 1 1 31 31 ALA HB1 H 1 1.609 0.030 . 1 . . . . 31 ALA HB . 11282 1
277 . 1 1 31 31 ALA HB2 H 1 1.609 0.030 . 1 . . . . 31 ALA HB . 11282 1
278 . 1 1 31 31 ALA HB3 H 1 1.609 0.030 . 1 . . . . 31 ALA HB . 11282 1
279 . 1 1 31 31 ALA C C 13 179.488 0.300 . 1 . . . . 31 ALA C . 11282 1
280 . 1 1 31 31 ALA CA C 13 51.514 0.300 . 1 . . . . 31 ALA CA . 11282 1
281 . 1 1 31 31 ALA CB C 13 20.095 0.300 . 1 . . . . 31 ALA CB . 11282 1
282 . 1 1 31 31 ALA N N 15 120.129 0.300 . 1 . . . . 31 ALA N . 11282 1
283 . 1 1 32 32 ALA H H 1 9.030 0.030 . 1 . . . . 32 ALA H . 11282 1
284 . 1 1 32 32 ALA HA H 1 3.770 0.030 . 1 . . . . 32 ALA HA . 11282 1
285 . 1 1 32 32 ALA HB1 H 1 1.453 0.030 . 1 . . . . 32 ALA HB . 11282 1
286 . 1 1 32 32 ALA HB2 H 1 1.453 0.030 . 1 . . . . 32 ALA HB . 11282 1
287 . 1 1 32 32 ALA HB3 H 1 1.453 0.030 . 1 . . . . 32 ALA HB . 11282 1
288 . 1 1 32 32 ALA C C 13 179.573 0.300 . 1 . . . . 32 ALA C . 11282 1
289 . 1 1 32 32 ALA CA C 13 55.796 0.300 . 1 . . . . 32 ALA CA . 11282 1
290 . 1 1 32 32 ALA CB C 13 18.049 0.300 . 1 . . . . 32 ALA CB . 11282 1
291 . 1 1 32 32 ALA N N 15 124.490 0.300 . 1 . . . . 32 ALA N . 11282 1
292 . 1 1 33 33 ASP H H 1 8.763 0.030 . 1 . . . . 33 ASP H . 11282 1
293 . 1 1 33 33 ASP HA H 1 4.287 0.030 . 1 . . . . 33 ASP HA . 11282 1
294 . 1 1 33 33 ASP HB2 H 1 2.665 0.030 . 2 . . . . 33 ASP HB2 . 11282 1
295 . 1 1 33 33 ASP HB3 H 1 2.604 0.030 . 2 . . . . 33 ASP HB3 . 11282 1
296 . 1 1 33 33 ASP C C 13 178.616 0.300 . 1 . . . . 33 ASP C . 11282 1
297 . 1 1 33 33 ASP CA C 13 57.142 0.300 . 1 . . . . 33 ASP CA . 11282 1
298 . 1 1 33 33 ASP CB C 13 39.397 0.300 . 1 . . . . 33 ASP CB . 11282 1
299 . 1 1 33 33 ASP N N 15 116.470 0.300 . 1 . . . . 33 ASP N . 11282 1
300 . 1 1 34 34 GLN H H 1 7.207 0.030 . 1 . . . . 34 GLN H . 11282 1
301 . 1 1 34 34 GLN HA H 1 4.065 0.030 . 1 . . . . 34 GLN HA . 11282 1
302 . 1 1 34 34 GLN HB2 H 1 2.143 0.030 . 2 . . . . 34 GLN HB2 . 11282 1
303 . 1 1 34 34 GLN HB3 H 1 2.090 0.030 . 2 . . . . 34 GLN HB3 . 11282 1
304 . 1 1 34 34 GLN HE21 H 1 7.009 0.030 . 2 . . . . 34 GLN HE21 . 11282 1
305 . 1 1 34 34 GLN HE22 H 1 7.454 0.030 . 2 . . . . 34 GLN HE22 . 11282 1
306 . 1 1 34 34 GLN HG2 H 1 2.354 0.030 . 2 . . . . 34 GLN HG2 . 11282 1
307 . 1 1 34 34 GLN HG3 H 1 2.428 0.030 . 2 . . . . 34 GLN HG3 . 11282 1
308 . 1 1 34 34 GLN C C 13 177.213 0.300 . 1 . . . . 34 GLN C . 11282 1
309 . 1 1 34 34 GLN CA C 13 58.278 0.300 . 1 . . . . 34 GLN CA . 11282 1
310 . 1 1 34 34 GLN CB C 13 28.425 0.300 . 1 . . . . 34 GLN CB . 11282 1
311 . 1 1 34 34 GLN CG C 13 33.743 0.300 . 1 . . . . 34 GLN CG . 11282 1
312 . 1 1 34 34 GLN N N 15 121.706 0.300 . 1 . . . . 34 GLN N . 11282 1
313 . 1 1 34 34 GLN NE2 N 15 111.318 0.300 . 1 . . . . 34 GLN NE2 . 11282 1
314 . 1 1 35 35 ALA H H 1 7.986 0.030 . 1 . . . . 35 ALA H . 11282 1
315 . 1 1 35 35 ALA HA H 1 3.190 0.030 . 1 . . . . 35 ALA HA . 11282 1
316 . 1 1 35 35 ALA HB1 H 1 1.269 0.030 . 1 . . . . 35 ALA HB . 11282 1
317 . 1 1 35 35 ALA HB2 H 1 1.269 0.030 . 1 . . . . 35 ALA HB . 11282 1
318 . 1 1 35 35 ALA HB3 H 1 1.269 0.030 . 1 . . . . 35 ALA HB . 11282 1
319 . 1 1 35 35 ALA C C 13 177.856 0.300 . 1 . . . . 35 ALA C . 11282 1
320 . 1 1 35 35 ALA CA C 13 54.799 0.300 . 1 . . . . 35 ALA CA . 11282 1
321 . 1 1 35 35 ALA CB C 13 20.429 0.300 . 1 . . . . 35 ALA CB . 11282 1
322 . 1 1 35 35 ALA N N 15 121.019 0.300 . 1 . . . . 35 ALA N . 11282 1
323 . 1 1 36 36 LYS H H 1 8.040 0.030 . 1 . . . . 36 LYS H . 11282 1
324 . 1 1 36 36 LYS HA H 1 3.449 0.030 . 1 . . . . 36 LYS HA . 11282 1
325 . 1 1 36 36 LYS HB2 H 1 1.851 0.030 . 2 . . . . 36 LYS HB2 . 11282 1
326 . 1 1 36 36 LYS HB3 H 1 1.907 0.030 . 2 . . . . 36 LYS HB3 . 11282 1
327 . 1 1 36 36 LYS HD2 H 1 1.751 0.030 . 1 . . . . 36 LYS HD2 . 11282 1
328 . 1 1 36 36 LYS HD3 H 1 1.751 0.030 . 1 . . . . 36 LYS HD3 . 11282 1
329 . 1 1 36 36 LYS HE2 H 1 3.015 0.030 . 1 . . . . 36 LYS HE2 . 11282 1
330 . 1 1 36 36 LYS HE3 H 1 3.015 0.030 . 1 . . . . 36 LYS HE3 . 11282 1
331 . 1 1 36 36 LYS HG2 H 1 1.360 0.030 . 2 . . . . 36 LYS HG2 . 11282 1
332 . 1 1 36 36 LYS HG3 H 1 1.434 0.030 . 2 . . . . 36 LYS HG3 . 11282 1
333 . 1 1 36 36 LYS C C 13 177.029 0.300 . 1 . . . . 36 LYS C . 11282 1
334 . 1 1 36 36 LYS CA C 13 60.355 0.300 . 1 . . . . 36 LYS CA . 11282 1
335 . 1 1 36 36 LYS CB C 13 32.366 0.300 . 1 . . . . 36 LYS CB . 11282 1
336 . 1 1 36 36 LYS CD C 13 29.796 0.300 . 1 . . . . 36 LYS CD . 11282 1
337 . 1 1 36 36 LYS CE C 13 42.214 0.300 . 1 . . . . 36 LYS CE . 11282 1
338 . 1 1 36 36 LYS CG C 13 25.191 0.300 . 1 . . . . 36 LYS CG . 11282 1
339 . 1 1 36 36 LYS N N 15 115.827 0.300 . 1 . . . . 36 LYS N . 11282 1
340 . 1 1 37 37 GLN H H 1 7.348 0.030 . 1 . . . . 37 GLN H . 11282 1
341 . 1 1 37 37 GLN HA H 1 3.833 0.030 . 1 . . . . 37 GLN HA . 11282 1
342 . 1 1 37 37 GLN HB2 H 1 2.069 0.030 . 1 . . . . 37 GLN HB2 . 11282 1
343 . 1 1 37 37 GLN HB3 H 1 2.069 0.030 . 1 . . . . 37 GLN HB3 . 11282 1
344 . 1 1 37 37 GLN HE21 H 1 6.822 0.030 . 2 . . . . 37 GLN HE21 . 11282 1
345 . 1 1 37 37 GLN HE22 H 1 7.479 0.030 . 2 . . . . 37 GLN HE22 . 11282 1
346 . 1 1 37 37 GLN HG2 H 1 2.296 0.030 . 2 . . . . 37 GLN HG2 . 11282 1
347 . 1 1 37 37 GLN HG3 H 1 2.450 0.030 . 2 . . . . 37 GLN HG3 . 11282 1
348 . 1 1 37 37 GLN C C 13 179.233 0.300 . 1 . . . . 37 GLN C . 11282 1
349 . 1 1 37 37 GLN CA C 13 59.054 0.300 . 1 . . . . 37 GLN CA . 11282 1
350 . 1 1 37 37 GLN CB C 13 28.400 0.300 . 1 . . . . 37 GLN CB . 11282 1
351 . 1 1 37 37 GLN CG C 13 33.661 0.300 . 1 . . . . 37 GLN CG . 11282 1
352 . 1 1 37 37 GLN N N 15 117.010 0.300 . 1 . . . . 37 GLN N . 11282 1
353 . 1 1 37 37 GLN NE2 N 15 111.934 0.300 . 1 . . . . 37 GLN NE2 . 11282 1
354 . 1 1 38 38 LEU H H 1 7.960 0.030 . 1 . . . . 38 LEU H . 11282 1
355 . 1 1 38 38 LEU HA H 1 3.772 0.030 . 1 . . . . 38 LEU HA . 11282 1
356 . 1 1 38 38 LEU HB2 H 1 1.071 0.030 . 2 . . . . 38 LEU HB2 . 11282 1
357 . 1 1 38 38 LEU HB3 H 1 1.282 0.030 . 2 . . . . 38 LEU HB3 . 11282 1
358 . 1 1 38 38 LEU HD11 H 1 0.854 0.030 . 1 . . . . 38 LEU HD1 . 11282 1
359 . 1 1 38 38 LEU HD12 H 1 0.854 0.030 . 1 . . . . 38 LEU HD1 . 11282 1
360 . 1 1 38 38 LEU HD13 H 1 0.854 0.030 . 1 . . . . 38 LEU HD1 . 11282 1
361 . 1 1 38 38 LEU HD21 H 1 0.916 0.030 . 1 . . . . 38 LEU HD2 . 11282 1
362 . 1 1 38 38 LEU HD22 H 1 0.916 0.030 . 1 . . . . 38 LEU HD2 . 11282 1
363 . 1 1 38 38 LEU HD23 H 1 0.916 0.030 . 1 . . . . 38 LEU HD2 . 11282 1
364 . 1 1 38 38 LEU HG H 1 1.733 0.030 . 1 . . . . 38 LEU HG . 11282 1
365 . 1 1 38 38 LEU C C 13 180.135 0.300 . 1 . . . . 38 LEU C . 11282 1
366 . 1 1 38 38 LEU CA C 13 57.436 0.300 . 1 . . . . 38 LEU CA . 11282 1
367 . 1 1 38 38 LEU CB C 13 41.189 0.300 . 1 . . . . 38 LEU CB . 11282 1
368 . 1 1 38 38 LEU CD1 C 13 22.642 0.300 . 2 . . . . 38 LEU CD1 . 11282 1
369 . 1 1 38 38 LEU CD2 C 13 26.918 0.300 . 2 . . . . 38 LEU CD2 . 11282 1
370 . 1 1 38 38 LEU CG C 13 26.918 0.300 . 1 . . . . 38 LEU CG . 11282 1
371 . 1 1 38 38 LEU N N 15 120.264 0.300 . 1 . . . . 38 LEU N . 11282 1
372 . 1 1 39 39 LEU H H 1 7.933 0.030 . 1 . . . . 39 LEU H . 11282 1
373 . 1 1 39 39 LEU HA H 1 3.103 0.030 . 1 . . . . 39 LEU HA . 11282 1
374 . 1 1 39 39 LEU HB2 H 1 0.854 0.030 . 2 . . . . 39 LEU HB2 . 11282 1
375 . 1 1 39 39 LEU HB3 H 1 0.055 0.030 . 2 . . . . 39 LEU HB3 . 11282 1
376 . 1 1 39 39 LEU HD11 H 1 0.623 0.030 . 1 . . . . 39 LEU HD1 . 11282 1
377 . 1 1 39 39 LEU HD12 H 1 0.623 0.030 . 1 . . . . 39 LEU HD1 . 11282 1
378 . 1 1 39 39 LEU HD13 H 1 0.623 0.030 . 1 . . . . 39 LEU HD1 . 11282 1
379 . 1 1 39 39 LEU HD21 H 1 0.614 0.030 . 1 . . . . 39 LEU HD2 . 11282 1
380 . 1 1 39 39 LEU HD22 H 1 0.614 0.030 . 1 . . . . 39 LEU HD2 . 11282 1
381 . 1 1 39 39 LEU HD23 H 1 0.614 0.030 . 1 . . . . 39 LEU HD2 . 11282 1
382 . 1 1 39 39 LEU HG H 1 0.618 0.030 . 1 . . . . 39 LEU HG . 11282 1
383 . 1 1 39 39 LEU C C 13 178.959 0.300 . 1 . . . . 39 LEU C . 11282 1
384 . 1 1 39 39 LEU CA C 13 57.868 0.300 . 1 . . . . 39 LEU CA . 11282 1
385 . 1 1 39 39 LEU CB C 13 40.947 0.300 . 1 . . . . 39 LEU CB . 11282 1
386 . 1 1 39 39 LEU CD1 C 13 26.290 0.300 . 2 . . . . 39 LEU CD1 . 11282 1
387 . 1 1 39 39 LEU CD2 C 13 23.948 0.300 . 2 . . . . 39 LEU CD2 . 11282 1
388 . 1 1 39 39 LEU CG C 13 27.463 0.300 . 1 . . . . 39 LEU CG . 11282 1
389 . 1 1 39 39 LEU N N 15 120.160 0.300 . 1 . . . . 39 LEU N . 11282 1
390 . 1 1 40 40 GLN H H 1 7.943 0.030 . 1 . . . . 40 GLN H . 11282 1
391 . 1 1 40 40 GLN HA H 1 2.806 0.030 . 1 . . . . 40 GLN HA . 11282 1
392 . 1 1 40 40 GLN HB2 H 1 1.936 0.030 . 2 . . . . 40 GLN HB2 . 11282 1
393 . 1 1 40 40 GLN HB3 H 1 1.757 0.030 . 2 . . . . 40 GLN HB3 . 11282 1
394 . 1 1 40 40 GLN HE21 H 1 7.311 0.030 . 2 . . . . 40 GLN HE21 . 11282 1
395 . 1 1 40 40 GLN HE22 H 1 6.758 0.030 . 2 . . . . 40 GLN HE22 . 11282 1
396 . 1 1 40 40 GLN HG2 H 1 2.296 0.030 . 1 . . . . 40 GLN HG2 . 11282 1
397 . 1 1 40 40 GLN HG3 H 1 2.296 0.030 . 1 . . . . 40 GLN HG3 . 11282 1
398 . 1 1 40 40 GLN C C 13 180.210 0.300 . 1 . . . . 40 GLN C . 11282 1
399 . 1 1 40 40 GLN CA C 13 59.082 0.300 . 1 . . . . 40 GLN CA . 11282 1
400 . 1 1 40 40 GLN CB C 13 28.081 0.300 . 1 . . . . 40 GLN CB . 11282 1
401 . 1 1 40 40 GLN CG C 13 34.484 0.300 . 1 . . . . 40 GLN CG . 11282 1
402 . 1 1 40 40 GLN N N 15 119.423 0.300 . 1 . . . . 40 GLN N . 11282 1
403 . 1 1 40 40 GLN NE2 N 15 111.513 0.300 . 1 . . . . 40 GLN NE2 . 11282 1
404 . 1 1 41 41 ALA H H 1 7.552 0.030 . 1 . . . . 41 ALA H . 11282 1
405 . 1 1 41 41 ALA HA H 1 3.907 0.030 . 1 . . . . 41 ALA HA . 11282 1
406 . 1 1 41 41 ALA HB1 H 1 1.346 0.030 . 1 . . . . 41 ALA HB . 11282 1
407 . 1 1 41 41 ALA HB2 H 1 1.346 0.030 . 1 . . . . 41 ALA HB . 11282 1
408 . 1 1 41 41 ALA HB3 H 1 1.346 0.030 . 1 . . . . 41 ALA HB . 11282 1
409 . 1 1 41 41 ALA C C 13 177.752 0.300 . 1 . . . . 41 ALA C . 11282 1
410 . 1 1 41 41 ALA CA C 13 54.383 0.300 . 1 . . . . 41 ALA CA . 11282 1
411 . 1 1 41 41 ALA CB C 13 17.912 0.300 . 1 . . . . 41 ALA CB . 11282 1
412 . 1 1 41 41 ALA N N 15 122.381 0.300 . 1 . . . . 41 ALA N . 11282 1
413 . 1 1 42 42 ALA H H 1 6.850 0.030 . 1 . . . . 42 ALA H . 11282 1
414 . 1 1 42 42 ALA HA H 1 4.346 0.030 . 1 . . . . 42 ALA HA . 11282 1
415 . 1 1 42 42 ALA HB1 H 1 1.330 0.030 . 1 . . . . 42 ALA HB . 11282 1
416 . 1 1 42 42 ALA HB2 H 1 1.330 0.030 . 1 . . . . 42 ALA HB . 11282 1
417 . 1 1 42 42 ALA HB3 H 1 1.330 0.030 . 1 . . . . 42 ALA HB . 11282 1
418 . 1 1 42 42 ALA C C 13 177.033 0.300 . 1 . . . . 42 ALA C . 11282 1
419 . 1 1 42 42 ALA CA C 13 50.698 0.300 . 1 . . . . 42 ALA CA . 11282 1
420 . 1 1 42 42 ALA CB C 13 18.967 0.300 . 1 . . . . 42 ALA CB . 11282 1
421 . 1 1 42 42 ALA N N 15 117.534 0.300 . 1 . . . . 42 ALA N . 11282 1
422 . 1 1 43 43 HIS H H 1 7.718 0.030 . 1 . . . . 43 HIS H . 11282 1
423 . 1 1 43 43 HIS HA H 1 4.139 0.030 . 1 . . . . 43 HIS HA . 11282 1
424 . 1 1 43 43 HIS HB2 H 1 3.370 0.030 . 1 . . . . 43 HIS HB2 . 11282 1
425 . 1 1 43 43 HIS HB3 H 1 3.370 0.030 . 1 . . . . 43 HIS HB3 . 11282 1
426 . 1 1 43 43 HIS C C 13 174.871 0.300 . 1 . . . . 43 HIS C . 11282 1
427 . 1 1 43 43 HIS CA C 13 57.487 0.300 . 1 . . . . 43 HIS CA . 11282 1
428 . 1 1 43 43 HIS CB C 13 27.073 0.300 . 1 . . . . 43 HIS CB . 11282 1
429 . 1 1 43 43 HIS N N 15 117.174 0.300 . 1 . . . . 43 HIS N . 11282 1
430 . 1 1 44 44 TRP H H 1 8.636 0.030 . 1 . . . . 44 TRP H . 11282 1
431 . 1 1 44 44 TRP HA H 1 3.249 0.030 . 1 . . . . 44 TRP HA . 11282 1
432 . 1 1 44 44 TRP HB2 H 1 3.327 0.030 . 2 . . . . 44 TRP HB2 . 11282 1
433 . 1 1 44 44 TRP HB3 H 1 3.434 0.030 . 2 . . . . 44 TRP HB3 . 11282 1
434 . 1 1 44 44 TRP HD1 H 1 6.996 0.030 . 1 . . . . 44 TRP HD1 . 11282 1
435 . 1 1 44 44 TRP HE1 H 1 9.970 0.030 . 1 . . . . 44 TRP HE1 . 11282 1
436 . 1 1 44 44 TRP HE3 H 1 7.618 0.030 . 1 . . . . 44 TRP HE3 . 11282 1
437 . 1 1 44 44 TRP HH2 H 1 6.855 0.030 . 1 . . . . 44 TRP HH2 . 11282 1
438 . 1 1 44 44 TRP HZ2 H 1 7.149 0.030 . 1 . . . . 44 TRP HZ2 . 11282 1
439 . 1 1 44 44 TRP HZ3 H 1 6.973 0.030 . 1 . . . . 44 TRP HZ3 . 11282 1
440 . 1 1 44 44 TRP C C 13 173.918 0.300 . 1 . . . . 44 TRP C . 11282 1
441 . 1 1 44 44 TRP CA C 13 58.914 0.300 . 1 . . . . 44 TRP CA . 11282 1
442 . 1 1 44 44 TRP CB C 13 24.903 0.300 . 1 . . . . 44 TRP CB . 11282 1
443 . 1 1 44 44 TRP CD1 C 13 126.881 0.300 . 1 . . . . 44 TRP CD1 . 11282 1
444 . 1 1 44 44 TRP CE3 C 13 120.681 0.300 . 1 . . . . 44 TRP CE3 . 11282 1
445 . 1 1 44 44 TRP CH2 C 13 123.283 0.300 . 1 . . . . 44 TRP CH2 . 11282 1
446 . 1 1 44 44 TRP CZ2 C 13 114.291 0.300 . 1 . . . . 44 TRP CZ2 . 11282 1
447 . 1 1 44 44 TRP CZ3 C 13 122.167 0.300 . 1 . . . . 44 TRP CZ3 . 11282 1
448 . 1 1 44 44 TRP N N 15 110.706 0.300 . 1 . . . . 44 TRP N . 11282 1
449 . 1 1 44 44 TRP NE1 N 15 128.148 0.300 . 1 . . . . 44 TRP NE1 . 11282 1
450 . 1 1 45 45 GLN H H 1 6.913 0.030 . 1 . . . . 45 GLN H . 11282 1
451 . 1 1 45 45 GLN HA H 1 4.687 0.030 . 1 . . . . 45 GLN HA . 11282 1
452 . 1 1 45 45 GLN HB2 H 1 2.228 0.030 . 2 . . . . 45 GLN HB2 . 11282 1
453 . 1 1 45 45 GLN HB3 H 1 2.364 0.030 . 2 . . . . 45 GLN HB3 . 11282 1
454 . 1 1 45 45 GLN HE21 H 1 7.055 0.030 . 2 . . . . 45 GLN HE21 . 11282 1
455 . 1 1 45 45 GLN HE22 H 1 7.601 0.030 . 2 . . . . 45 GLN HE22 . 11282 1
456 . 1 1 45 45 GLN HG2 H 1 2.542 0.030 . 2 . . . . 45 GLN HG2 . 11282 1
457 . 1 1 45 45 GLN HG3 H 1 2.615 0.030 . 2 . . . . 45 GLN HG3 . 11282 1
458 . 1 1 45 45 GLN C C 13 175.380 0.300 . 1 . . . . 45 GLN C . 11282 1
459 . 1 1 45 45 GLN CA C 13 54.106 0.300 . 1 . . . . 45 GLN CA . 11282 1
460 . 1 1 45 45 GLN CB C 13 27.555 0.300 . 1 . . . . 45 GLN CB . 11282 1
461 . 1 1 45 45 GLN CG C 13 33.661 0.300 . 1 . . . . 45 GLN CG . 11282 1
462 . 1 1 45 45 GLN N N 15 117.783 0.300 . 1 . . . . 45 GLN N . 11282 1
463 . 1 1 45 45 GLN NE2 N 15 112.966 0.300 . 1 . . . . 45 GLN NE2 . 11282 1
464 . 1 1 46 46 PHE H H 1 8.730 0.030 . 1 . . . . 46 PHE H . 11282 1
465 . 1 1 46 46 PHE HA H 1 3.791 0.030 . 1 . . . . 46 PHE HA . 11282 1
466 . 1 1 46 46 PHE HB2 H 1 3.380 0.030 . 2 . . . . 46 PHE HB2 . 11282 1
467 . 1 1 46 46 PHE HB3 H 1 3.211 0.030 . 2 . . . . 46 PHE HB3 . 11282 1
468 . 1 1 46 46 PHE HD1 H 1 7.216 0.030 . 1 . . . . 46 PHE HD1 . 11282 1
469 . 1 1 46 46 PHE HD2 H 1 7.216 0.030 . 1 . . . . 46 PHE HD2 . 11282 1
470 . 1 1 46 46 PHE HE1 H 1 7.467 0.030 . 1 . . . . 46 PHE HE1 . 11282 1
471 . 1 1 46 46 PHE HE2 H 1 7.467 0.030 . 1 . . . . 46 PHE HE2 . 11282 1
472 . 1 1 46 46 PHE HZ H 1 6.974 0.030 . 1 . . . . 46 PHE HZ . 11282 1
473 . 1 1 46 46 PHE C C 13 176.280 0.300 . 1 . . . . 46 PHE C . 11282 1
474 . 1 1 46 46 PHE CA C 13 63.258 0.300 . 1 . . . . 46 PHE CA . 11282 1
475 . 1 1 46 46 PHE CB C 13 40.538 0.300 . 1 . . . . 46 PHE CB . 11282 1
476 . 1 1 46 46 PHE CD1 C 13 131.800 0.300 . 1 . . . . 46 PHE CD1 . 11282 1
477 . 1 1 46 46 PHE CD2 C 13 131.800 0.300 . 1 . . . . 46 PHE CD2 . 11282 1
478 . 1 1 46 46 PHE CE1 C 13 131.837 0.300 . 1 . . . . 46 PHE CE1 . 11282 1
479 . 1 1 46 46 PHE CE2 C 13 131.837 0.300 . 1 . . . . 46 PHE CE2 . 11282 1
480 . 1 1 46 46 PHE CZ C 13 129.283 0.300 . 1 . . . . 46 PHE CZ . 11282 1
481 . 1 1 46 46 PHE N N 15 127.653 0.300 . 1 . . . . 46 PHE N . 11282 1
482 . 1 1 47 47 GLU H H 1 9.379 0.030 . 1 . . . . 47 GLU H . 11282 1
483 . 1 1 47 47 GLU HA H 1 3.950 0.030 . 1 . . . . 47 GLU HA . 11282 1
484 . 1 1 47 47 GLU HB2 H 1 2.230 0.030 . 2 . . . . 47 GLU HB2 . 11282 1
485 . 1 1 47 47 GLU HB3 H 1 2.149 0.030 . 2 . . . . 47 GLU HB3 . 11282 1
486 . 1 1 47 47 GLU HG2 H 1 2.547 0.030 . 2 . . . . 47 GLU HG2 . 11282 1
487 . 1 1 47 47 GLU HG3 H 1 2.510 0.030 . 2 . . . . 47 GLU HG3 . 11282 1
488 . 1 1 47 47 GLU C C 13 179.685 0.300 . 1 . . . . 47 GLU C . 11282 1
489 . 1 1 47 47 GLU CA C 13 60.392 0.300 . 1 . . . . 47 GLU CA . 11282 1
490 . 1 1 47 47 GLU CB C 13 28.400 0.300 . 1 . . . . 47 GLU CB . 11282 1
491 . 1 1 47 47 GLU CG C 13 37.075 0.300 . 1 . . . . 47 GLU CG . 11282 1
492 . 1 1 47 47 GLU N N 15 116.425 0.300 . 1 . . . . 47 GLU N . 11282 1
493 . 1 1 48 48 THR H H 1 7.503 0.030 . 1 . . . . 48 THR H . 11282 1
494 . 1 1 48 48 THR HA H 1 4.018 0.030 . 1 . . . . 48 THR HA . 11282 1
495 . 1 1 48 48 THR HB H 1 4.204 0.030 . 1 . . . . 48 THR HB . 11282 1
496 . 1 1 48 48 THR HG21 H 1 1.270 0.030 . 1 . . . . 48 THR HG2 . 11282 1
497 . 1 1 48 48 THR HG22 H 1 1.270 0.030 . 1 . . . . 48 THR HG2 . 11282 1
498 . 1 1 48 48 THR HG23 H 1 1.270 0.030 . 1 . . . . 48 THR HG2 . 11282 1
499 . 1 1 48 48 THR C C 13 176.180 0.300 . 1 . . . . 48 THR C . 11282 1
500 . 1 1 48 48 THR CA C 13 65.924 0.300 . 1 . . . . 48 THR CA . 11282 1
501 . 1 1 48 48 THR CB C 13 68.537 0.300 . 1 . . . . 48 THR CB . 11282 1
502 . 1 1 48 48 THR CG2 C 13 21.902 0.300 . 1 . . . . 48 THR CG2 . 11282 1
503 . 1 1 48 48 THR N N 15 117.251 0.300 . 1 . . . . 48 THR N . 11282 1
504 . 1 1 49 49 ALA H H 1 7.974 0.030 . 1 . . . . 49 ALA H . 11282 1
505 . 1 1 49 49 ALA HA H 1 3.941 0.030 . 1 . . . . 49 ALA HA . 11282 1
506 . 1 1 49 49 ALA HB1 H 1 1.083 0.030 . 1 . . . . 49 ALA HB . 11282 1
507 . 1 1 49 49 ALA HB2 H 1 1.083 0.030 . 1 . . . . 49 ALA HB . 11282 1
508 . 1 1 49 49 ALA HB3 H 1 1.083 0.030 . 1 . . . . 49 ALA HB . 11282 1
509 . 1 1 49 49 ALA C C 13 179.402 0.300 . 1 . . . . 49 ALA C . 11282 1
510 . 1 1 49 49 ALA CA C 13 55.053 0.300 . 1 . . . . 49 ALA CA . 11282 1
511 . 1 1 49 49 ALA CB C 13 18.553 0.300 . 1 . . . . 49 ALA CB . 11282 1
512 . 1 1 49 49 ALA N N 15 124.827 0.300 . 1 . . . . 49 ALA N . 11282 1
513 . 1 1 50 50 LEU H H 1 8.480 0.030 . 1 . . . . 50 LEU H . 11282 1
514 . 1 1 50 50 LEU HA H 1 3.826 0.030 . 1 . . . . 50 LEU HA . 11282 1
515 . 1 1 50 50 LEU HB2 H 1 1.624 0.030 . 2 . . . . 50 LEU HB2 . 11282 1
516 . 1 1 50 50 LEU HB3 H 1 0.960 0.030 . 2 . . . . 50 LEU HB3 . 11282 1
517 . 1 1 50 50 LEU HD11 H 1 0.075 0.030 . 1 . . . . 50 LEU HD1 . 11282 1
518 . 1 1 50 50 LEU HD12 H 1 0.075 0.030 . 1 . . . . 50 LEU HD1 . 11282 1
519 . 1 1 50 50 LEU HD13 H 1 0.075 0.030 . 1 . . . . 50 LEU HD1 . 11282 1
520 . 1 1 50 50 LEU HD21 H 1 0.619 0.030 . 1 . . . . 50 LEU HD2 . 11282 1
521 . 1 1 50 50 LEU HD22 H 1 0.619 0.030 . 1 . . . . 50 LEU HD2 . 11282 1
522 . 1 1 50 50 LEU HD23 H 1 0.619 0.030 . 1 . . . . 50 LEU HD2 . 11282 1
523 . 1 1 50 50 LEU HG H 1 1.372 0.030 . 1 . . . . 50 LEU HG . 11282 1
524 . 1 1 50 50 LEU C C 13 178.041 0.300 . 1 . . . . 50 LEU C . 11282 1
525 . 1 1 50 50 LEU CA C 13 57.844 0.300 . 1 . . . . 50 LEU CA . 11282 1
526 . 1 1 50 50 LEU CB C 13 41.707 0.300 . 1 . . . . 50 LEU CB . 11282 1
527 . 1 1 50 50 LEU CD1 C 13 23.958 0.300 . 2 . . . . 50 LEU CD1 . 11282 1
528 . 1 1 50 50 LEU CD2 C 13 25.352 0.300 . 2 . . . . 50 LEU CD2 . 11282 1
529 . 1 1 50 50 LEU CG C 13 26.065 0.300 . 1 . . . . 50 LEU CG . 11282 1
530 . 1 1 50 50 LEU N N 15 120.419 0.300 . 1 . . . . 50 LEU N . 11282 1
531 . 1 1 51 51 SER H H 1 8.088 0.030 . 1 . . . . 51 SER H . 11282 1
532 . 1 1 51 51 SER HA H 1 4.318 0.030 . 1 . . . . 51 SER HA . 11282 1
533 . 1 1 51 51 SER HB2 H 1 4.063 0.030 . 1 . . . . 51 SER HB2 . 11282 1
534 . 1 1 51 51 SER HB3 H 1 4.063 0.030 . 1 . . . . 51 SER HB3 . 11282 1
535 . 1 1 51 51 SER C C 13 177.953 0.300 . 1 . . . . 51 SER C . 11282 1
536 . 1 1 51 51 SER CA C 13 61.934 0.300 . 1 . . . . 51 SER CA . 11282 1
537 . 1 1 51 51 SER CB C 13 62.602 0.300 . 1 . . . . 51 SER CB . 11282 1
538 . 1 1 51 51 SER N N 15 113.431 0.300 . 1 . . . . 51 SER N . 11282 1
539 . 1 1 52 52 THR H H 1 8.093 0.030 . 1 . . . . 52 THR H . 11282 1
540 . 1 1 52 52 THR HA H 1 3.943 0.030 . 1 . . . . 52 THR HA . 11282 1
541 . 1 1 52 52 THR HB H 1 4.313 0.030 . 1 . . . . 52 THR HB . 11282 1
542 . 1 1 52 52 THR HG21 H 1 1.178 0.030 . 1 . . . . 52 THR HG2 . 11282 1
543 . 1 1 52 52 THR HG22 H 1 1.178 0.030 . 1 . . . . 52 THR HG2 . 11282 1
544 . 1 1 52 52 THR HG23 H 1 1.178 0.030 . 1 . . . . 52 THR HG2 . 11282 1
545 . 1 1 52 52 THR C C 13 175.776 0.300 . 1 . . . . 52 THR C . 11282 1
546 . 1 1 52 52 THR CA C 13 66.669 0.300 . 1 . . . . 52 THR CA . 11282 1
547 . 1 1 52 52 THR CB C 13 68.459 0.300 . 1 . . . . 52 THR CB . 11282 1
548 . 1 1 52 52 THR CG2 C 13 21.573 0.300 . 1 . . . . 52 THR CG2 . 11282 1
549 . 1 1 52 52 THR N N 15 118.131 0.300 . 1 . . . . 52 THR N . 11282 1
550 . 1 1 53 53 PHE H H 1 8.061 0.030 . 1 . . . . 53 PHE H . 11282 1
551 . 1 1 53 53 PHE HA H 1 4.085 0.030 . 1 . . . . 53 PHE HA . 11282 1
552 . 1 1 53 53 PHE HB2 H 1 3.084 0.030 . 2 . . . . 53 PHE HB2 . 11282 1
553 . 1 1 53 53 PHE HB3 H 1 3.139 0.030 . 2 . . . . 53 PHE HB3 . 11282 1
554 . 1 1 53 53 PHE HD1 H 1 6.481 0.030 . 1 . . . . 53 PHE HD1 . 11282 1
555 . 1 1 53 53 PHE HD2 H 1 6.481 0.030 . 1 . . . . 53 PHE HD2 . 11282 1
556 . 1 1 53 53 PHE HE1 H 1 7.100 0.030 . 1 . . . . 53 PHE HE1 . 11282 1
557 . 1 1 53 53 PHE HE2 H 1 7.100 0.030 . 1 . . . . 53 PHE HE2 . 11282 1
558 . 1 1 53 53 PHE HZ H 1 7.122 0.030 . 1 . . . . 53 PHE HZ . 11282 1
559 . 1 1 53 53 PHE C C 13 177.711 0.300 . 1 . . . . 53 PHE C . 11282 1
560 . 1 1 53 53 PHE CA C 13 61.743 0.300 . 1 . . . . 53 PHE CA . 11282 1
561 . 1 1 53 53 PHE CB C 13 39.092 0.300 . 1 . . . . 53 PHE CB . 11282 1
562 . 1 1 53 53 PHE CD1 C 13 131.371 0.300 . 1 . . . . 53 PHE CD1 . 11282 1
563 . 1 1 53 53 PHE CD2 C 13 131.371 0.300 . 1 . . . . 53 PHE CD2 . 11282 1
564 . 1 1 53 53 PHE CE1 C 13 131.557 0.300 . 1 . . . . 53 PHE CE1 . 11282 1
565 . 1 1 53 53 PHE CE2 C 13 131.557 0.300 . 1 . . . . 53 PHE CE2 . 11282 1
566 . 1 1 53 53 PHE CZ C 13 129.814 0.300 . 1 . . . . 53 PHE CZ . 11282 1
567 . 1 1 53 53 PHE N N 15 122.918 0.300 . 1 . . . . 53 PHE N . 11282 1
568 . 1 1 54 54 PHE H H 1 8.068 0.030 . 1 . . . . 54 PHE H . 11282 1
569 . 1 1 54 54 PHE HA H 1 4.366 0.030 . 1 . . . . 54 PHE HA . 11282 1
570 . 1 1 54 54 PHE HB2 H 1 2.950 0.030 . 2 . . . . 54 PHE HB2 . 11282 1
571 . 1 1 54 54 PHE HB3 H 1 3.348 0.030 . 2 . . . . 54 PHE HB3 . 11282 1
572 . 1 1 54 54 PHE HD1 H 1 7.369 0.030 . 1 . . . . 54 PHE HD1 . 11282 1
573 . 1 1 54 54 PHE HD2 H 1 7.369 0.030 . 1 . . . . 54 PHE HD2 . 11282 1
574 . 1 1 54 54 PHE HE1 H 1 7.325 0.030 . 1 . . . . 54 PHE HE1 . 11282 1
575 . 1 1 54 54 PHE HE2 H 1 7.325 0.030 . 1 . . . . 54 PHE HE2 . 11282 1
576 . 1 1 54 54 PHE HZ H 1 7.320 0.030 . 1 . . . . 54 PHE HZ . 11282 1
577 . 1 1 54 54 PHE C C 13 177.187 0.300 . 1 . . . . 54 PHE C . 11282 1
578 . 1 1 54 54 PHE CA C 13 59.707 0.300 . 1 . . . . 54 PHE CA . 11282 1
579 . 1 1 54 54 PHE CB C 13 38.481 0.300 . 1 . . . . 54 PHE CB . 11282 1
580 . 1 1 54 54 PHE CD1 C 13 131.464 0.300 . 1 . . . . 54 PHE CD1 . 11282 1
581 . 1 1 54 54 PHE CD2 C 13 131.464 0.300 . 1 . . . . 54 PHE CD2 . 11282 1
582 . 1 1 54 54 PHE CE1 C 13 131.390 0.300 . 1 . . . . 54 PHE CE1 . 11282 1
583 . 1 1 54 54 PHE CE2 C 13 131.390 0.300 . 1 . . . . 54 PHE CE2 . 11282 1
584 . 1 1 54 54 PHE CZ C 13 129.628 0.300 . 1 . . . . 54 PHE CZ . 11282 1
585 . 1 1 54 54 PHE N N 15 116.889 0.300 . 1 . . . . 54 PHE N . 11282 1
586 . 1 1 55 55 GLN H H 1 7.944 0.030 . 1 . . . . 55 GLN H . 11282 1
587 . 1 1 55 55 GLN HA H 1 4.172 0.030 . 1 . . . . 55 GLN HA . 11282 1
588 . 1 1 55 55 GLN HB2 H 1 2.197 0.030 . 1 . . . . 55 GLN HB2 . 11282 1
589 . 1 1 55 55 GLN HB3 H 1 2.197 0.030 . 1 . . . . 55 GLN HB3 . 11282 1
590 . 1 1 55 55 GLN HE21 H 1 7.512 0.030 . 2 . . . . 55 GLN HE21 . 11282 1
591 . 1 1 55 55 GLN HE22 H 1 6.905 0.030 . 2 . . . . 55 GLN HE22 . 11282 1
592 . 1 1 55 55 GLN HG2 H 1 2.474 0.030 . 1 . . . . 55 GLN HG2 . 11282 1
593 . 1 1 55 55 GLN HG3 H 1 2.474 0.030 . 1 . . . . 55 GLN HG3 . 11282 1
594 . 1 1 55 55 GLN C C 13 177.245 0.300 . 1 . . . . 55 GLN C . 11282 1
595 . 1 1 55 55 GLN CA C 13 57.773 0.300 . 1 . . . . 55 GLN CA . 11282 1
596 . 1 1 55 55 GLN CB C 13 28.838 0.300 . 1 . . . . 55 GLN CB . 11282 1
597 . 1 1 55 55 GLN CG C 13 34.155 0.300 . 1 . . . . 55 GLN CG . 11282 1
598 . 1 1 55 55 GLN N N 15 118.991 0.300 . 1 . . . . 55 GLN N . 11282 1
599 . 1 1 55 55 GLN NE2 N 15 112.966 0.300 . 1 . . . . 55 GLN NE2 . 11282 1
600 . 1 1 56 56 GLU H H 1 8.084 0.030 . 1 . . . . 56 GLU H . 11282 1
601 . 1 1 56 56 GLU HA H 1 4.213 0.030 . 1 . . . . 56 GLU HA . 11282 1
602 . 1 1 56 56 GLU HB2 H 1 1.928 0.030 . 2 . . . . 56 GLU HB2 . 11282 1
603 . 1 1 56 56 GLU HB3 H 1 2.025 0.030 . 2 . . . . 56 GLU HB3 . 11282 1
604 . 1 1 56 56 GLU HG2 H 1 2.211 0.030 . 2 . . . . 56 GLU HG2 . 11282 1
605 . 1 1 56 56 GLU HG3 H 1 2.327 0.030 . 2 . . . . 56 GLU HG3 . 11282 1
606 . 1 1 56 56 GLU C C 13 177.233 0.300 . 1 . . . . 56 GLU C . 11282 1
607 . 1 1 56 56 GLU CA C 13 57.407 0.300 . 1 . . . . 56 GLU CA . 11282 1
608 . 1 1 56 56 GLU CB C 13 30.113 0.300 . 1 . . . . 56 GLU CB . 11282 1
609 . 1 1 56 56 GLU CG C 13 36.622 0.300 . 1 . . . . 56 GLU CG . 11282 1
610 . 1 1 56 56 GLU N N 15 118.687 0.300 . 1 . . . . 56 GLU N . 11282 1
611 . 1 1 57 57 THR H H 1 7.778 0.030 . 1 . . . . 57 THR H . 11282 1
612 . 1 1 57 57 THR HA H 1 4.201 0.030 . 1 . . . . 57 THR HA . 11282 1
613 . 1 1 57 57 THR HB H 1 4.021 0.030 . 1 . . . . 57 THR HB . 11282 1
614 . 1 1 57 57 THR HG21 H 1 1.028 0.030 . 1 . . . . 57 THR HG2 . 11282 1
615 . 1 1 57 57 THR HG22 H 1 1.028 0.030 . 1 . . . . 57 THR HG2 . 11282 1
616 . 1 1 57 57 THR HG23 H 1 1.028 0.030 . 1 . . . . 57 THR HG2 . 11282 1
617 . 1 1 57 57 THR C C 13 174.282 0.300 . 1 . . . . 57 THR C . 11282 1
618 . 1 1 57 57 THR CA C 13 62.344 0.300 . 1 . . . . 57 THR CA . 11282 1
619 . 1 1 57 57 THR CB C 13 69.525 0.300 . 1 . . . . 57 THR CB . 11282 1
620 . 1 1 57 57 THR CG2 C 13 21.326 0.300 . 1 . . . . 57 THR CG2 . 11282 1
621 . 1 1 57 57 THR N N 15 112.558 0.300 . 1 . . . . 57 THR N . 11282 1
622 . 1 1 58 58 ASN H H 1 8.169 0.030 . 1 . . . . 58 ASN H . 11282 1
623 . 1 1 58 58 ASN HA H 1 4.656 0.030 . 1 . . . . 58 ASN HA . 11282 1
624 . 1 1 58 58 ASN HB2 H 1 2.679 0.030 . 2 . . . . 58 ASN HB2 . 11282 1
625 . 1 1 58 58 ASN HB3 H 1 2.805 0.030 . 2 . . . . 58 ASN HB3 . 11282 1
626 . 1 1 58 58 ASN HD21 H 1 7.523 0.030 . 2 . . . . 58 ASN HD21 . 11282 1
627 . 1 1 58 58 ASN HD22 H 1 6.831 0.030 . 2 . . . . 58 ASN HD22 . 11282 1
628 . 1 1 58 58 ASN C C 13 174.598 0.300 . 1 . . . . 58 ASN C . 11282 1
629 . 1 1 58 58 ASN CA C 13 53.379 0.300 . 1 . . . . 58 ASN CA . 11282 1
630 . 1 1 58 58 ASN CB C 13 38.797 0.300 . 1 . . . . 58 ASN CB . 11282 1
631 . 1 1 58 58 ASN N N 15 120.744 0.300 . 1 . . . . 58 ASN N . 11282 1
632 . 1 1 58 58 ASN ND2 N 15 112.699 0.300 . 1 . . . . 58 ASN ND2 . 11282 1
633 . 1 1 59 59 ILE H H 1 8.014 0.030 . 1 . . . . 59 ILE H . 11282 1
634 . 1 1 59 59 ILE HA H 1 4.380 0.030 . 1 . . . . 59 ILE HA . 11282 1
635 . 1 1 59 59 ILE HB H 1 1.839 0.030 . 1 . . . . 59 ILE HB . 11282 1
636 . 1 1 59 59 ILE HD11 H 1 0.825 0.030 . 1 . . . . 59 ILE HD1 . 11282 1
637 . 1 1 59 59 ILE HD12 H 1 0.825 0.030 . 1 . . . . 59 ILE HD1 . 11282 1
638 . 1 1 59 59 ILE HD13 H 1 0.825 0.030 . 1 . . . . 59 ILE HD1 . 11282 1
639 . 1 1 59 59 ILE HG12 H 1 1.464 0.030 . 2 . . . . 59 ILE HG12 . 11282 1
640 . 1 1 59 59 ILE HG13 H 1 1.115 0.030 . 2 . . . . 59 ILE HG13 . 11282 1
641 . 1 1 59 59 ILE HG21 H 1 0.884 0.030 . 1 . . . . 59 ILE HG2 . 11282 1
642 . 1 1 59 59 ILE HG22 H 1 0.884 0.030 . 1 . . . . 59 ILE HG2 . 11282 1
643 . 1 1 59 59 ILE HG23 H 1 0.884 0.030 . 1 . . . . 59 ILE HG2 . 11282 1
644 . 1 1 59 59 ILE C C 13 174.631 0.300 . 1 . . . . 59 ILE C . 11282 1
645 . 1 1 59 59 ILE CA C 13 58.944 0.300 . 1 . . . . 59 ILE CA . 11282 1
646 . 1 1 59 59 ILE CB C 13 38.481 0.300 . 1 . . . . 59 ILE CB . 11282 1
647 . 1 1 59 59 ILE CD1 C 13 12.774 0.300 . 1 . . . . 59 ILE CD1 . 11282 1
648 . 1 1 59 59 ILE CG1 C 13 27.022 0.300 . 1 . . . . 59 ILE CG1 . 11282 1
649 . 1 1 59 59 ILE CG2 C 13 17.165 0.300 . 1 . . . . 59 ILE CG2 . 11282 1
650 . 1 1 59 59 ILE N N 15 122.585 0.300 . 1 . . . . 59 ILE N . 11282 1
651 . 1 1 60 60 PRO HA H 1 4.351 0.030 . 1 . . . . 60 PRO HA . 11282 1
652 . 1 1 60 60 PRO HB2 H 1 1.847 0.030 . 2 . . . . 60 PRO HB2 . 11282 1
653 . 1 1 60 60 PRO HB3 H 1 2.243 0.030 . 2 . . . . 60 PRO HB3 . 11282 1
654 . 1 1 60 60 PRO HD2 H 1 3.623 0.030 . 2 . . . . 60 PRO HD2 . 11282 1
655 . 1 1 60 60 PRO HD3 H 1 3.832 0.030 . 2 . . . . 60 PRO HD3 . 11282 1
656 . 1 1 60 60 PRO HG2 H 1 1.942 0.030 . 2 . . . . 60 PRO HG2 . 11282 1
657 . 1 1 60 60 PRO HG3 H 1 1.994 0.030 . 2 . . . . 60 PRO HG3 . 11282 1
658 . 1 1 60 60 PRO C C 13 176.726 0.300 . 1 . . . . 60 PRO C . 11282 1
659 . 1 1 60 60 PRO CA C 13 63.461 0.300 . 1 . . . . 60 PRO CA . 11282 1
660 . 1 1 60 60 PRO CB C 13 32.066 0.300 . 1 . . . . 60 PRO CB . 11282 1
661 . 1 1 60 60 PRO CD C 13 51.259 0.300 . 1 . . . . 60 PRO CD . 11282 1
662 . 1 1 60 60 PRO CG C 13 27.494 0.300 . 1 . . . . 60 PRO CG . 11282 1
663 . 1 1 61 61 ASN H H 1 8.527 0.030 . 1 . . . . 61 ASN H . 11282 1
664 . 1 1 61 61 ASN HD21 H 1 6.803 0.030 . 2 . . . . 61 ASN HD21 . 11282 1
665 . 1 1 61 61 ASN HD22 H 1 7.493 0.030 . 2 . . . . 61 ASN HD22 . 11282 1
666 . 1 1 61 61 ASN C C 13 175.401 0.300 . 1 . . . . 61 ASN C . 11282 1
667 . 1 1 61 61 ASN CA C 13 53.450 0.300 . 1 . . . . 61 ASN CA . 11282 1
668 . 1 1 61 61 ASN CB C 13 38.738 0.300 . 1 . . . . 61 ASN CB . 11282 1
669 . 1 1 61 61 ASN N N 15 118.658 0.300 . 1 . . . . 61 ASN N . 11282 1
670 . 1 1 61 61 ASN ND2 N 15 112.330 0.300 . 1 . . . . 61 ASN ND2 . 11282 1
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