data_10294
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10294
_Entry.Title
;
Solution structure of the homeobox domain of Homeobox protein OTX2
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2008-12-17
_Entry.Accession_date 2008-12-18
_Entry.Last_release_date 2009-12-17
_Entry.Original_release_date 2009-12-17
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.8.120
_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 S. Ohnishi . . . 10294
2 K. Saito . . . 10294
3 S. Koshiba . . . 10294
4 M. Inoue . . . 10294
5 T. Kigawa . . . 10294
6 S. Yokoyama . . . 10294
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 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10294
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 10294
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 292 10294
'15N chemical shifts' 66 10294
'1H chemical shifts' 436 10294
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 . . 2009-12-17 2008-12-17 original author . 10294
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2DMS 'BMRB Entry Tracking System' 10294
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 10294
_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 homeobox domain of Homeobox protein OTX2'
_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 S. Ohnishi . . . 10294 1
2 K. Saito . . . 10294 1
3 S. Koshiba . . . 10294 1
4 M. Inoue . . . 10294 1
5 T. Kigawa . . . 10294 1
6 S. Yokoyama . . . 10294 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 10294
_Assembly.ID 1
_Assembly.Name 'Homeobox protein OTX2'
_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 'homeobox domain' 1 $entity_1 . . yes native no no . . . 10294 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
. PDB 2DMS . . . . . . 10294 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 10294
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'homeobox domain'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GSSGSSGRRERTTFTRAQLD
VLEALFAKTRYPDIFMREEV
ALKINLPESRVQVWFKNRRA
KCRQQQQQQQNGGQSGPSSG
;
_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 80
_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 2DMS . "Solution Structure Of The Homeobox Domain Of Homeobox Protein Otx2" . . . . . 100.00 80 100.00 100.00 9.48e-50 . . . . 10294 1
2 no DBJ BAA05159 . "otx homeoprotein [Danio rerio]" . . . . . 83.75 289 100.00 100.00 1.08e-39 . . . . 10294 1
3 no DBJ BAB16104 . "orthodenticle [Apostichopus japonicus]" . . . . . 68.75 338 98.18 98.18 1.45e-26 . . . . 10294 1
4 no DBJ BAB62171 . "transcriptional factor [Leucopsarion petersii]" . . . . . 75.00 326 98.33 100.00 1.19e-34 . . . . 10294 1
5 no DBJ BAC02578 . "Otx2 [Labidochromis caeruleus]" . . . . . 83.75 245 100.00 100.00 1.79e-40 . . . . 10294 1
6 no DBJ BAC02579 . "Otx2, partial [Haplochromis brownae]" . . . . . 83.75 245 100.00 100.00 1.79e-40 . . . . 10294 1
7 no EMBL CAA04396 . "Otx2 [Oryzias latipes]" . . . . . 83.75 181 100.00 100.00 6.94e-41 . . . . 10294 1
8 no EMBL CAA87093 . "homeobox protein [Xenopus laevis]" . . . . . 83.75 288 98.51 100.00 1.68e-39 . . . . 10294 1
9 no EMBL CAD32962 . "homeobox protein OTX2 [Gallus gallus]" . . . . . 83.75 289 100.00 100.00 1.18e-39 . . . . 10294 1
10 no EMBL CAG00311 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 75.00 333 98.33 100.00 1.20e-34 . . . . 10294 1
11 no EMBL CAG10588 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 83.75 346 98.51 98.51 5.11e-33 . . . . 10294 1
12 no GB AAA78901 . "orthodenticle-related protein 2 [Danio rerio]" . . . . . 83.75 289 100.00 100.00 1.08e-39 . . . . 10294 1
13 no GB AAA85388 . "orthodenticle-A like protein, partial [Xenopus laevis]" . . . . . 78.75 102 98.41 100.00 8.75e-37 . . . . 10294 1
14 no GB AAB27580 . "Otx2=homeodomain containing [mice, embryos, Peptide, 289 aa]" . . . . . 83.75 289 100.00 100.00 1.19e-39 . . . . 10294 1
15 no GB AAB63527 . "orthodenticle 2 [Xenopus laevis]" . . . . . 83.75 289 98.51 100.00 1.44e-39 . . . . 10294 1
16 no GB AAD31385 . "homeodomain protein OTX2 [Homo sapiens]" . . . . . 83.75 289 100.00 100.00 1.28e-39 . . . . 10294 1
17 no PIR S39407 . "homeotic protein otx2 - human" . . . . . 83.75 225 100.00 100.00 5.36e-40 . . . . 10294 1
18 no REF NP_001016021 . "homeobox protein otx5 [Xenopus (Silurana) tropicalis]" . . . . . 70.00 290 98.21 100.00 1.26e-31 . . . . 10294 1
19 no REF NP_001016177 . "homeobox protein OTX2 [Xenopus (Silurana) tropicalis]" . . . . . 83.75 289 100.00 100.00 1.30e-39 . . . . 10294 1
20 no REF NP_001084160 . "homeobox protein OTX2-A [Xenopus laevis]" . . . . . 83.75 288 98.51 100.00 1.68e-39 . . . . 10294 1
21 no REF NP_001084955 . "homeobox protein OTX2-B [Xenopus laevis]" . . . . . 83.75 289 98.51 100.00 1.44e-39 . . . . 10294 1
22 no REF NP_001094036 . "homeobox protein OTX2 [Rattus norvegicus]" . . . . . 83.75 289 100.00 100.00 1.28e-39 . . . . 10294 1
23 no SP P32242 . "RecName: Full=Homeobox protein OTX1; AltName: Full=Orthodenticle homolog 1" . . . . . 75.00 354 98.33 100.00 1.65e-33 . . . . 10294 1
24 no SP P32243 . "RecName: Full=Homeobox protein OTX2; AltName: Full=Orthodenticle homolog 2" . . . . . 83.75 289 100.00 100.00 1.28e-39 . . . . 10294 1
25 no SP P80206 . "RecName: Full=Homeobox protein OTX2; AltName: Full=Orthodenticle homolog 2" . . . . . 83.75 289 100.00 100.00 1.19e-39 . . . . 10294 1
26 no SP Q28EM7 . "RecName: Full=Homeobox protein otx5; AltName: Full=Orthodenticle homolog 5" . . . . . 70.00 290 98.21 100.00 1.26e-31 . . . . 10294 1
27 no SP Q28FN6 . "RecName: Full=Homeobox protein OTX2; AltName: Full=Orthodenticle 2" . . . . . 83.75 289 100.00 100.00 1.30e-39 . . . . 10294 1
28 no TPG DAA24647 . "TPA: orthodenticle homeobox 1-like [Bos taurus]" . . . . . 75.00 355 98.33 100.00 2.00e-33 . . . . 10294 1
29 no TPG DAA25273 . "TPA: orthodenticle homeobox 2-like isoform 1 [Bos taurus]" . . . . . 83.75 289 100.00 100.00 1.19e-39 . . . . 10294 1
30 no TPG DAA25274 . "TPA: orthodenticle homeobox 2-like isoform 2 [Bos taurus]" . . . . . 83.75 297 100.00 100.00 1.51e-39 . . . . 10294 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'homeobox domain' . 10294 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 . 10294 1
2 . SER . 10294 1
3 . SER . 10294 1
4 . GLY . 10294 1
5 . SER . 10294 1
6 . SER . 10294 1
7 . GLY . 10294 1
8 . ARG . 10294 1
9 . ARG . 10294 1
10 . GLU . 10294 1
11 . ARG . 10294 1
12 . THR . 10294 1
13 . THR . 10294 1
14 . PHE . 10294 1
15 . THR . 10294 1
16 . ARG . 10294 1
17 . ALA . 10294 1
18 . GLN . 10294 1
19 . LEU . 10294 1
20 . ASP . 10294 1
21 . VAL . 10294 1
22 . LEU . 10294 1
23 . GLU . 10294 1
24 . ALA . 10294 1
25 . LEU . 10294 1
26 . PHE . 10294 1
27 . ALA . 10294 1
28 . LYS . 10294 1
29 . THR . 10294 1
30 . ARG . 10294 1
31 . TYR . 10294 1
32 . PRO . 10294 1
33 . ASP . 10294 1
34 . ILE . 10294 1
35 . PHE . 10294 1
36 . MET . 10294 1
37 . ARG . 10294 1
38 . GLU . 10294 1
39 . GLU . 10294 1
40 . VAL . 10294 1
41 . ALA . 10294 1
42 . LEU . 10294 1
43 . LYS . 10294 1
44 . ILE . 10294 1
45 . ASN . 10294 1
46 . LEU . 10294 1
47 . PRO . 10294 1
48 . GLU . 10294 1
49 . SER . 10294 1
50 . ARG . 10294 1
51 . VAL . 10294 1
52 . GLN . 10294 1
53 . VAL . 10294 1
54 . TRP . 10294 1
55 . PHE . 10294 1
56 . LYS . 10294 1
57 . ASN . 10294 1
58 . ARG . 10294 1
59 . ARG . 10294 1
60 . ALA . 10294 1
61 . LYS . 10294 1
62 . CYS . 10294 1
63 . ARG . 10294 1
64 . GLN . 10294 1
65 . GLN . 10294 1
66 . GLN . 10294 1
67 . GLN . 10294 1
68 . GLN . 10294 1
69 . GLN . 10294 1
70 . GLN . 10294 1
71 . ASN . 10294 1
72 . GLY . 10294 1
73 . GLY . 10294 1
74 . GLN . 10294 1
75 . SER . 10294 1
76 . GLY . 10294 1
77 . PRO . 10294 1
78 . SER . 10294 1
79 . SER . 10294 1
80 . GLY . 10294 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 10294 1
. SER 2 2 10294 1
. SER 3 3 10294 1
. GLY 4 4 10294 1
. SER 5 5 10294 1
. SER 6 6 10294 1
. GLY 7 7 10294 1
. ARG 8 8 10294 1
. ARG 9 9 10294 1
. GLU 10 10 10294 1
. ARG 11 11 10294 1
. THR 12 12 10294 1
. THR 13 13 10294 1
. PHE 14 14 10294 1
. THR 15 15 10294 1
. ARG 16 16 10294 1
. ALA 17 17 10294 1
. GLN 18 18 10294 1
. LEU 19 19 10294 1
. ASP 20 20 10294 1
. VAL 21 21 10294 1
. LEU 22 22 10294 1
. GLU 23 23 10294 1
. ALA 24 24 10294 1
. LEU 25 25 10294 1
. PHE 26 26 10294 1
. ALA 27 27 10294 1
. LYS 28 28 10294 1
. THR 29 29 10294 1
. ARG 30 30 10294 1
. TYR 31 31 10294 1
. PRO 32 32 10294 1
. ASP 33 33 10294 1
. ILE 34 34 10294 1
. PHE 35 35 10294 1
. MET 36 36 10294 1
. ARG 37 37 10294 1
. GLU 38 38 10294 1
. GLU 39 39 10294 1
. VAL 40 40 10294 1
. ALA 41 41 10294 1
. LEU 42 42 10294 1
. LYS 43 43 10294 1
. ILE 44 44 10294 1
. ASN 45 45 10294 1
. LEU 46 46 10294 1
. PRO 47 47 10294 1
. GLU 48 48 10294 1
. SER 49 49 10294 1
. ARG 50 50 10294 1
. VAL 51 51 10294 1
. GLN 52 52 10294 1
. VAL 53 53 10294 1
. TRP 54 54 10294 1
. PHE 55 55 10294 1
. LYS 56 56 10294 1
. ASN 57 57 10294 1
. ARG 58 58 10294 1
. ARG 59 59 10294 1
. ALA 60 60 10294 1
. LYS 61 61 10294 1
. CYS 62 62 10294 1
. ARG 63 63 10294 1
. GLN 64 64 10294 1
. GLN 65 65 10294 1
. GLN 66 66 10294 1
. GLN 67 67 10294 1
. GLN 68 68 10294 1
. GLN 69 69 10294 1
. GLN 70 70 10294 1
. ASN 71 71 10294 1
. GLY 72 72 10294 1
. GLY 73 73 10294 1
. GLN 74 74 10294 1
. SER 75 75 10294 1
. GLY 76 76 10294 1
. PRO 77 77 10294 1
. SER 78 78 10294 1
. SER 79 79 10294 1
. GLY 80 80 10294 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 10294
_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 . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10294 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 10294
_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' . . . . . . . . . . . . . . . . . . . plasmid . . P050711-11 . . . . . . 10294 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 10294
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'homeobox domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.0 . . mM . . . . 10294 1
2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10294 1
3 NaCl . . . . . . salt 100 . . mM . . . . 10294 1
4 d-DTT . . . . . . salt 1 . . mM . . . . 10294 1
5 NaN3 . . . . . . salt 0.02 . . % . . . . 10294 1
6 H2O . . . . . . solvent 90 . . % . . . . 10294 1
7 D2O . . . . . . solvent 10 . . % . . . . 10294 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 10294
_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 10294 1
pH 7.0 0.05 pH 10294 1
pressure 1 0.001 atm 10294 1
temperature 298 0.1 K 10294 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 10294
_Software.ID 1
_Software.Name xwinnmr
_Software.Version 3.5
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Bruker . . 10294 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 10294 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 10294
_Software.ID 2
_Software.Name NMRPipe
_Software.Version 20030801
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, F.' . . 10294 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 10294 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 10294
_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.' . . 10294 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 10294 3
stop_
save_
save_software_4
_Software.Sf_category software
_Software.Sf_framecode software_4
_Software.Entry_ID 10294
_Software.ID 4
_Software.Name Kujira
_Software.Version 0.965
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Kobayashi, N.' . . 10294 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 10294 4
stop_
save_
save_software_5
_Software.Sf_category software
_Software.Sf_framecode software_5
_Software.Entry_ID 10294
_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.' . . 10294 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 10294 5
'structure solution' 10294 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 10294
_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 10294
_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 . . . 10294 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 10294
_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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10294 1
2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10294 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 10294
_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 . . . . . . . . . 10294 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10294 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10294 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 10294
_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 13C-separated NOESY' 1 $sample_1 isotropic 10294 1
2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10294 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 7 7 GLY HA2 H 1 3.978 0.030 . 1 . . . . 7 GLY HA2 . 10294 1
2 . 1 1 7 7 GLY HA3 H 1 3.978 0.030 . 1 . . . . 7 GLY HA3 . 10294 1
3 . 1 1 7 7 GLY C C 13 174.149 0.300 . 1 . . . . 7 GLY C . 10294 1
4 . 1 1 7 7 GLY CA C 13 45.393 0.300 . 1 . . . . 7 GLY CA . 10294 1
5 . 1 1 8 8 ARG H H 1 8.135 0.030 . 1 . . . . 8 ARG H . 10294 1
6 . 1 1 8 8 ARG C C 13 176.480 0.300 . 1 . . . . 8 ARG C . 10294 1
7 . 1 1 8 8 ARG CA C 13 56.589 0.300 . 1 . . . . 8 ARG CA . 10294 1
8 . 1 1 8 8 ARG CB C 13 30.686 0.300 . 1 . . . . 8 ARG CB . 10294 1
9 . 1 1 8 8 ARG CD C 13 43.339 0.300 . 1 . . . . 8 ARG CD . 10294 1
10 . 1 1 8 8 ARG CG C 13 26.964 0.300 . 1 . . . . 8 ARG CG . 10294 1
11 . 1 1 8 8 ARG N N 15 120.720 0.300 . 1 . . . . 8 ARG N . 10294 1
12 . 1 1 9 9 ARG H H 1 8.471 0.030 . 1 . . . . 9 ARG H . 10294 1
13 . 1 1 9 9 ARG HA H 1 4.288 0.030 . 1 . . . . 9 ARG HA . 10294 1
14 . 1 1 9 9 ARG C C 13 176.504 0.300 . 1 . . . . 9 ARG C . 10294 1
15 . 1 1 9 9 ARG CA C 13 56.432 0.300 . 1 . . . . 9 ARG CA . 10294 1
16 . 1 1 9 9 ARG CB C 13 30.466 0.300 . 1 . . . . 9 ARG CB . 10294 1
17 . 1 1 9 9 ARG N N 15 122.487 0.300 . 1 . . . . 9 ARG N . 10294 1
18 . 1 1 13 13 THR HA H 1 4.365 0.030 . 1 . . . . 13 THR HA . 10294 1
19 . 1 1 13 13 THR HB H 1 4.147 0.030 . 1 . . . . 13 THR HB . 10294 1
20 . 1 1 13 13 THR HG21 H 1 1.128 0.030 . 1 . . . . 13 THR HG2 . 10294 1
21 . 1 1 13 13 THR HG22 H 1 1.128 0.030 . 1 . . . . 13 THR HG2 . 10294 1
22 . 1 1 13 13 THR HG23 H 1 1.128 0.030 . 1 . . . . 13 THR HG2 . 10294 1
23 . 1 1 13 13 THR C C 13 173.954 0.300 . 1 . . . . 13 THR C . 10294 1
24 . 1 1 13 13 THR CA C 13 61.440 0.300 . 1 . . . . 13 THR CA . 10294 1
25 . 1 1 13 13 THR CB C 13 70.210 0.300 . 1 . . . . 13 THR CB . 10294 1
26 . 1 1 13 13 THR CG2 C 13 21.519 0.300 . 1 . . . . 13 THR CG2 . 10294 1
27 . 1 1 14 14 PHE H H 1 8.297 0.030 . 1 . . . . 14 PHE H . 10294 1
28 . 1 1 14 14 PHE HA H 1 4.941 0.030 . 1 . . . . 14 PHE HA . 10294 1
29 . 1 1 14 14 PHE HB2 H 1 2.767 0.030 . 2 . . . . 14 PHE HB2 . 10294 1
30 . 1 1 14 14 PHE HB3 H 1 3.091 0.030 . 2 . . . . 14 PHE HB3 . 10294 1
31 . 1 1 14 14 PHE HD1 H 1 7.149 0.030 . 1 . . . . 14 PHE HD1 . 10294 1
32 . 1 1 14 14 PHE HD2 H 1 7.149 0.030 . 1 . . . . 14 PHE HD2 . 10294 1
33 . 1 1 14 14 PHE HE1 H 1 7.217 0.030 . 1 . . . . 14 PHE HE1 . 10294 1
34 . 1 1 14 14 PHE HE2 H 1 7.217 0.030 . 1 . . . . 14 PHE HE2 . 10294 1
35 . 1 1 14 14 PHE HZ H 1 7.307 0.030 . 1 . . . . 14 PHE HZ . 10294 1
36 . 1 1 14 14 PHE C C 13 176.650 0.300 . 1 . . . . 14 PHE C . 10294 1
37 . 1 1 14 14 PHE CA C 13 57.077 0.300 . 1 . . . . 14 PHE CA . 10294 1
38 . 1 1 14 14 PHE CB C 13 41.503 0.300 . 1 . . . . 14 PHE CB . 10294 1
39 . 1 1 14 14 PHE CD1 C 13 131.597 0.300 . 1 . . . . 14 PHE CD1 . 10294 1
40 . 1 1 14 14 PHE CD2 C 13 131.597 0.300 . 1 . . . . 14 PHE CD2 . 10294 1
41 . 1 1 14 14 PHE CE1 C 13 131.475 0.300 . 1 . . . . 14 PHE CE1 . 10294 1
42 . 1 1 14 14 PHE CE2 C 13 131.475 0.300 . 1 . . . . 14 PHE CE2 . 10294 1
43 . 1 1 14 14 PHE CZ C 13 128.997 0.300 . 1 . . . . 14 PHE CZ . 10294 1
44 . 1 1 14 14 PHE N N 15 121.677 0.300 . 1 . . . . 14 PHE N . 10294 1
45 . 1 1 15 15 THR H H 1 9.009 0.030 . 1 . . . . 15 THR H . 10294 1
46 . 1 1 15 15 THR HA H 1 4.493 0.030 . 1 . . . . 15 THR HA . 10294 1
47 . 1 1 15 15 THR HB H 1 4.748 0.030 . 1 . . . . 15 THR HB . 10294 1
48 . 1 1 15 15 THR HG21 H 1 1.296 0.030 . 1 . . . . 15 THR HG2 . 10294 1
49 . 1 1 15 15 THR HG22 H 1 1.296 0.030 . 1 . . . . 15 THR HG2 . 10294 1
50 . 1 1 15 15 THR HG23 H 1 1.296 0.030 . 1 . . . . 15 THR HG2 . 10294 1
51 . 1 1 15 15 THR C C 13 175.314 0.300 . 1 . . . . 15 THR C . 10294 1
52 . 1 1 15 15 THR CA C 13 60.359 0.300 . 1 . . . . 15 THR CA . 10294 1
53 . 1 1 15 15 THR CB C 13 70.902 0.300 . 1 . . . . 15 THR CB . 10294 1
54 . 1 1 15 15 THR CG2 C 13 21.837 0.300 . 1 . . . . 15 THR CG2 . 10294 1
55 . 1 1 15 15 THR N N 15 113.381 0.300 . 1 . . . . 15 THR N . 10294 1
56 . 1 1 16 16 ARG H H 1 8.882 0.030 . 1 . . . . 16 ARG H . 10294 1
57 . 1 1 16 16 ARG HA H 1 3.986 0.030 . 1 . . . . 16 ARG HA . 10294 1
58 . 1 1 16 16 ARG HB2 H 1 1.965 0.030 . 1 . . . . 16 ARG HB2 . 10294 1
59 . 1 1 16 16 ARG HB3 H 1 1.965 0.030 . 1 . . . . 16 ARG HB3 . 10294 1
60 . 1 1 16 16 ARG HD2 H 1 3.303 0.030 . 2 . . . . 16 ARG HD2 . 10294 1
61 . 1 1 16 16 ARG HD3 H 1 3.230 0.030 . 2 . . . . 16 ARG HD3 . 10294 1
62 . 1 1 16 16 ARG HG2 H 1 1.843 0.030 . 2 . . . . 16 ARG HG2 . 10294 1
63 . 1 1 16 16 ARG HG3 H 1 1.666 0.030 . 2 . . . . 16 ARG HG3 . 10294 1
64 . 1 1 16 16 ARG C C 13 177.670 0.300 . 1 . . . . 16 ARG C . 10294 1
65 . 1 1 16 16 ARG CA C 13 59.042 0.300 . 1 . . . . 16 ARG CA . 10294 1
66 . 1 1 16 16 ARG CB C 13 30.100 0.300 . 1 . . . . 16 ARG CB . 10294 1
67 . 1 1 16 16 ARG CD C 13 43.160 0.300 . 1 . . . . 16 ARG CD . 10294 1
68 . 1 1 16 16 ARG CG C 13 26.339 0.300 . 1 . . . . 16 ARG CG . 10294 1
69 . 1 1 16 16 ARG N N 15 122.206 0.300 . 1 . . . . 16 ARG N . 10294 1
70 . 1 1 17 17 ALA H H 1 8.251 0.030 . 1 . . . . 17 ALA H . 10294 1
71 . 1 1 17 17 ALA HA H 1 4.159 0.030 . 1 . . . . 17 ALA HA . 10294 1
72 . 1 1 17 17 ALA HB1 H 1 1.408 0.030 . 1 . . . . 17 ALA HB . 10294 1
73 . 1 1 17 17 ALA HB2 H 1 1.408 0.030 . 1 . . . . 17 ALA HB . 10294 1
74 . 1 1 17 17 ALA HB3 H 1 1.408 0.030 . 1 . . . . 17 ALA HB . 10294 1
75 . 1 1 17 17 ALA C C 13 181.386 0.300 . 1 . . . . 17 ALA C . 10294 1
76 . 1 1 17 17 ALA CA C 13 54.986 0.300 . 1 . . . . 17 ALA CA . 10294 1
77 . 1 1 17 17 ALA CB C 13 18.333 0.300 . 1 . . . . 17 ALA CB . 10294 1
78 . 1 1 17 17 ALA N N 15 119.149 0.300 . 1 . . . . 17 ALA N . 10294 1
79 . 1 1 18 18 GLN H H 1 7.533 0.030 . 1 . . . . 18 GLN H . 10294 1
80 . 1 1 18 18 GLN HA H 1 3.858 0.030 . 1 . . . . 18 GLN HA . 10294 1
81 . 1 1 18 18 GLN HB2 H 1 2.668 0.030 . 2 . . . . 18 GLN HB2 . 10294 1
82 . 1 1 18 18 GLN HB3 H 1 1.602 0.030 . 2 . . . . 18 GLN HB3 . 10294 1
83 . 1 1 18 18 GLN HE21 H 1 6.595 0.030 . 2 . . . . 18 GLN HE21 . 10294 1
84 . 1 1 18 18 GLN HE22 H 1 7.703 0.030 . 2 . . . . 18 GLN HE22 . 10294 1
85 . 1 1 18 18 GLN HG2 H 1 2.371 0.030 . 2 . . . . 18 GLN HG2 . 10294 1
86 . 1 1 18 18 GLN HG3 H 1 2.720 0.030 . 2 . . . . 18 GLN HG3 . 10294 1
87 . 1 1 18 18 GLN C C 13 177.986 0.300 . 1 . . . . 18 GLN C . 10294 1
88 . 1 1 18 18 GLN CA C 13 58.790 0.300 . 1 . . . . 18 GLN CA . 10294 1
89 . 1 1 18 18 GLN CB C 13 28.603 0.300 . 1 . . . . 18 GLN CB . 10294 1
90 . 1 1 18 18 GLN CG C 13 34.921 0.300 . 1 . . . . 18 GLN CG . 10294 1
91 . 1 1 18 18 GLN N N 15 116.295 0.300 . 1 . . . . 18 GLN N . 10294 1
92 . 1 1 18 18 GLN NE2 N 15 110.854 0.300 . 1 . . . . 18 GLN NE2 . 10294 1
93 . 1 1 19 19 LEU H H 1 8.417 0.030 . 1 . . . . 19 LEU H . 10294 1
94 . 1 1 19 19 LEU HA H 1 3.547 0.030 . 1 . . . . 19 LEU HA . 10294 1
95 . 1 1 19 19 LEU HB2 H 1 1.479 0.030 . 2 . . . . 19 LEU HB2 . 10294 1
96 . 1 1 19 19 LEU HB3 H 1 1.819 0.030 . 2 . . . . 19 LEU HB3 . 10294 1
97 . 1 1 19 19 LEU HD11 H 1 0.881 0.030 . 1 . . . . 19 LEU HD1 . 10294 1
98 . 1 1 19 19 LEU HD12 H 1 0.881 0.030 . 1 . . . . 19 LEU HD1 . 10294 1
99 . 1 1 19 19 LEU HD13 H 1 0.881 0.030 . 1 . . . . 19 LEU HD1 . 10294 1
100 . 1 1 19 19 LEU HD21 H 1 0.715 0.030 . 1 . . . . 19 LEU HD2 . 10294 1
101 . 1 1 19 19 LEU HD22 H 1 0.715 0.030 . 1 . . . . 19 LEU HD2 . 10294 1
102 . 1 1 19 19 LEU HD23 H 1 0.715 0.030 . 1 . . . . 19 LEU HD2 . 10294 1
103 . 1 1 19 19 LEU HG H 1 1.660 0.030 . 1 . . . . 19 LEU HG . 10294 1
104 . 1 1 19 19 LEU C C 13 178.617 0.300 . 1 . . . . 19 LEU C . 10294 1
105 . 1 1 19 19 LEU CA C 13 57.745 0.300 . 1 . . . . 19 LEU CA . 10294 1
106 . 1 1 19 19 LEU CB C 13 41.584 0.300 . 1 . . . . 19 LEU CB . 10294 1
107 . 1 1 19 19 LEU CD1 C 13 25.320 0.300 . 2 . . . . 19 LEU CD1 . 10294 1
108 . 1 1 19 19 LEU CD2 C 13 23.363 0.300 . 2 . . . . 19 LEU CD2 . 10294 1
109 . 1 1 19 19 LEU CG C 13 26.333 0.300 . 1 . . . . 19 LEU CG . 10294 1
110 . 1 1 19 19 LEU N N 15 118.955 0.300 . 1 . . . . 19 LEU N . 10294 1
111 . 1 1 20 20 ASP H H 1 8.537 0.030 . 1 . . . . 20 ASP H . 10294 1
112 . 1 1 20 20 ASP HA H 1 4.291 0.030 . 1 . . . . 20 ASP HA . 10294 1
113 . 1 1 20 20 ASP HB2 H 1 2.733 0.030 . 2 . . . . 20 ASP HB2 . 10294 1
114 . 1 1 20 20 ASP HB3 H 1 2.586 0.030 . 2 . . . . 20 ASP HB3 . 10294 1
115 . 1 1 20 20 ASP C C 13 179.783 0.300 . 1 . . . . 20 ASP C . 10294 1
116 . 1 1 20 20 ASP CA C 13 57.666 0.300 . 1 . . . . 20 ASP CA . 10294 1
117 . 1 1 20 20 ASP CB C 13 39.965 0.300 . 1 . . . . 20 ASP CB . 10294 1
118 . 1 1 20 20 ASP N N 15 118.356 0.300 . 1 . . . . 20 ASP N . 10294 1
119 . 1 1 21 21 VAL H H 1 7.006 0.030 . 1 . . . . 21 VAL H . 10294 1
120 . 1 1 21 21 VAL HA H 1 3.667 0.030 . 1 . . . . 21 VAL HA . 10294 1
121 . 1 1 21 21 VAL HB H 1 2.047 0.030 . 1 . . . . 21 VAL HB . 10294 1
122 . 1 1 21 21 VAL HG11 H 1 0.888 0.030 . 1 . . . . 21 VAL HG1 . 10294 1
123 . 1 1 21 21 VAL HG12 H 1 0.888 0.030 . 1 . . . . 21 VAL HG1 . 10294 1
124 . 1 1 21 21 VAL HG13 H 1 0.888 0.030 . 1 . . . . 21 VAL HG1 . 10294 1
125 . 1 1 21 21 VAL HG21 H 1 1.035 0.030 . 1 . . . . 21 VAL HG2 . 10294 1
126 . 1 1 21 21 VAL HG22 H 1 1.035 0.030 . 1 . . . . 21 VAL HG2 . 10294 1
127 . 1 1 21 21 VAL HG23 H 1 1.035 0.030 . 1 . . . . 21 VAL HG2 . 10294 1
128 . 1 1 21 21 VAL C C 13 178.836 0.300 . 1 . . . . 21 VAL C . 10294 1
129 . 1 1 21 21 VAL CA C 13 66.062 0.300 . 1 . . . . 21 VAL CA . 10294 1
130 . 1 1 21 21 VAL CB C 13 32.006 0.300 . 1 . . . . 21 VAL CB . 10294 1
131 . 1 1 21 21 VAL CG1 C 13 22.397 0.300 . 2 . . . . 21 VAL CG1 . 10294 1
132 . 1 1 21 21 VAL CG2 C 13 22.717 0.300 . 2 . . . . 21 VAL CG2 . 10294 1
133 . 1 1 21 21 VAL N N 15 120.507 0.300 . 1 . . . . 21 VAL N . 10294 1
134 . 1 1 22 22 LEU H H 1 7.638 0.030 . 1 . . . . 22 LEU H . 10294 1
135 . 1 1 22 22 LEU HA H 1 3.557 0.030 . 1 . . . . 22 LEU HA . 10294 1
136 . 1 1 22 22 LEU HB2 H 1 -0.890 0.030 . 2 . . . . 22 LEU HB2 . 10294 1
137 . 1 1 22 22 LEU HB3 H 1 0.540 0.030 . 2 . . . . 22 LEU HB3 . 10294 1
138 . 1 1 22 22 LEU HD11 H 1 -0.702 0.030 . 1 . . . . 22 LEU HD1 . 10294 1
139 . 1 1 22 22 LEU HD12 H 1 -0.702 0.030 . 1 . . . . 22 LEU HD1 . 10294 1
140 . 1 1 22 22 LEU HD13 H 1 -0.702 0.030 . 1 . . . . 22 LEU HD1 . 10294 1
141 . 1 1 22 22 LEU HD21 H 1 0.505 0.030 . 1 . . . . 22 LEU HD2 . 10294 1
142 . 1 1 22 22 LEU HD22 H 1 0.505 0.030 . 1 . . . . 22 LEU HD2 . 10294 1
143 . 1 1 22 22 LEU HD23 H 1 0.505 0.030 . 1 . . . . 22 LEU HD2 . 10294 1
144 . 1 1 22 22 LEU HG H 1 1.087 0.030 . 1 . . . . 22 LEU HG . 10294 1
145 . 1 1 22 22 LEU C C 13 178.277 0.300 . 1 . . . . 22 LEU C . 10294 1
146 . 1 1 22 22 LEU CA C 13 58.595 0.300 . 1 . . . . 22 LEU CA . 10294 1
147 . 1 1 22 22 LEU CB C 13 38.402 0.300 . 1 . . . . 22 LEU CB . 10294 1
148 . 1 1 22 22 LEU CD1 C 13 23.871 0.300 . 2 . . . . 22 LEU CD1 . 10294 1
149 . 1 1 22 22 LEU CD2 C 13 23.522 0.300 . 2 . . . . 22 LEU CD2 . 10294 1
150 . 1 1 22 22 LEU CG C 13 26.115 0.300 . 1 . . . . 22 LEU CG . 10294 1
151 . 1 1 22 22 LEU N N 15 122.874 0.300 . 1 . . . . 22 LEU N . 10294 1
152 . 1 1 23 23 GLU H H 1 8.880 0.030 . 1 . . . . 23 GLU H . 10294 1
153 . 1 1 23 23 GLU HA H 1 4.162 0.030 . 1 . . . . 23 GLU HA . 10294 1
154 . 1 1 23 23 GLU HB2 H 1 2.062 0.030 . 1 . . . . 23 GLU HB2 . 10294 1
155 . 1 1 23 23 GLU HB3 H 1 2.062 0.030 . 1 . . . . 23 GLU HB3 . 10294 1
156 . 1 1 23 23 GLU HG2 H 1 2.442 0.030 . 2 . . . . 23 GLU HG2 . 10294 1
157 . 1 1 23 23 GLU C C 13 180.123 0.300 . 1 . . . . 23 GLU C . 10294 1
158 . 1 1 23 23 GLU CA C 13 59.182 0.300 . 1 . . . . 23 GLU CA . 10294 1
159 . 1 1 23 23 GLU CB C 13 29.111 0.300 . 1 . . . . 23 GLU CB . 10294 1
160 . 1 1 23 23 GLU CG C 13 35.929 0.300 . 1 . . . . 23 GLU CG . 10294 1
161 . 1 1 23 23 GLU N N 15 117.314 0.300 . 1 . . . . 23 GLU N . 10294 1
162 . 1 1 24 24 ALA H H 1 7.614 0.030 . 1 . . . . 24 ALA H . 10294 1
163 . 1 1 24 24 ALA HA H 1 4.273 0.030 . 1 . . . . 24 ALA HA . 10294 1
164 . 1 1 24 24 ALA HB1 H 1 1.524 0.030 . 1 . . . . 24 ALA HB . 10294 1
165 . 1 1 24 24 ALA HB2 H 1 1.524 0.030 . 1 . . . . 24 ALA HB . 10294 1
166 . 1 1 24 24 ALA HB3 H 1 1.524 0.030 . 1 . . . . 24 ALA HB . 10294 1
167 . 1 1 24 24 ALA C C 13 180.560 0.300 . 1 . . . . 24 ALA C . 10294 1
168 . 1 1 24 24 ALA CA C 13 55.023 0.300 . 1 . . . . 24 ALA CA . 10294 1
169 . 1 1 24 24 ALA CB C 13 17.775 0.300 . 1 . . . . 24 ALA CB . 10294 1
170 . 1 1 24 24 ALA N N 15 122.032 0.300 . 1 . . . . 24 ALA N . 10294 1
171 . 1 1 25 25 LEU H H 1 7.673 0.030 . 1 . . . . 25 LEU H . 10294 1
172 . 1 1 25 25 LEU HA H 1 4.507 0.030 . 1 . . . . 25 LEU HA . 10294 1
173 . 1 1 25 25 LEU HB2 H 1 1.659 0.030 . 2 . . . . 25 LEU HB2 . 10294 1
174 . 1 1 25 25 LEU HB3 H 1 2.339 0.030 . 2 . . . . 25 LEU HB3 . 10294 1
175 . 1 1 25 25 LEU HD11 H 1 1.128 0.030 . 1 . . . . 25 LEU HD1 . 10294 1
176 . 1 1 25 25 LEU HD12 H 1 1.128 0.030 . 1 . . . . 25 LEU HD1 . 10294 1
177 . 1 1 25 25 LEU HD13 H 1 1.128 0.030 . 1 . . . . 25 LEU HD1 . 10294 1
178 . 1 1 25 25 LEU HD21 H 1 0.884 0.030 . 1 . . . . 25 LEU HD2 . 10294 1
179 . 1 1 25 25 LEU HD22 H 1 0.884 0.030 . 1 . . . . 25 LEU HD2 . 10294 1
180 . 1 1 25 25 LEU HD23 H 1 0.884 0.030 . 1 . . . . 25 LEU HD2 . 10294 1
181 . 1 1 25 25 LEU HG H 1 1.851 0.030 . 1 . . . . 25 LEU HG . 10294 1
182 . 1 1 25 25 LEU C C 13 177.694 0.300 . 1 . . . . 25 LEU C . 10294 1
183 . 1 1 25 25 LEU CA C 13 57.913 0.300 . 1 . . . . 25 LEU CA . 10294 1
184 . 1 1 25 25 LEU CB C 13 40.753 0.300 . 1 . . . . 25 LEU CB . 10294 1
185 . 1 1 25 25 LEU CD1 C 13 23.205 0.300 . 2 . . . . 25 LEU CD1 . 10294 1
186 . 1 1 25 25 LEU CD2 C 13 26.427 0.300 . 2 . . . . 25 LEU CD2 . 10294 1
187 . 1 1 25 25 LEU CG C 13 27.209 0.300 . 1 . . . . 25 LEU CG . 10294 1
188 . 1 1 25 25 LEU N N 15 120.067 0.300 . 1 . . . . 25 LEU N . 10294 1
189 . 1 1 26 26 PHE H H 1 8.839 0.030 . 1 . . . . 26 PHE H . 10294 1
190 . 1 1 26 26 PHE HA H 1 4.765 0.030 . 1 . . . . 26 PHE HA . 10294 1
191 . 1 1 26 26 PHE HB2 H 1 3.265 0.030 . 1 . . . . 26 PHE HB2 . 10294 1
192 . 1 1 26 26 PHE HB3 H 1 3.265 0.030 . 1 . . . . 26 PHE HB3 . 10294 1
193 . 1 1 26 26 PHE HD1 H 1 7.323 0.030 . 1 . . . . 26 PHE HD1 . 10294 1
194 . 1 1 26 26 PHE HD2 H 1 7.323 0.030 . 1 . . . . 26 PHE HD2 . 10294 1
195 . 1 1 26 26 PHE HE1 H 1 7.141 0.030 . 1 . . . . 26 PHE HE1 . 10294 1
196 . 1 1 26 26 PHE HE2 H 1 7.141 0.030 . 1 . . . . 26 PHE HE2 . 10294 1
197 . 1 1 26 26 PHE HZ H 1 6.981 0.030 . 1 . . . . 26 PHE HZ . 10294 1
198 . 1 1 26 26 PHE C C 13 175.800 0.300 . 1 . . . . 26 PHE C . 10294 1
199 . 1 1 26 26 PHE CA C 13 61.017 0.300 . 1 . . . . 26 PHE CA . 10294 1
200 . 1 1 26 26 PHE CB C 13 39.167 0.300 . 1 . . . . 26 PHE CB . 10294 1
201 . 1 1 26 26 PHE CD1 C 13 132.627 0.300 . 1 . . . . 26 PHE CD1 . 10294 1
202 . 1 1 26 26 PHE CD2 C 13 132.627 0.300 . 1 . . . . 26 PHE CD2 . 10294 1
203 . 1 1 26 26 PHE CE1 C 13 130.637 0.300 . 1 . . . . 26 PHE CE1 . 10294 1
204 . 1 1 26 26 PHE CE2 C 13 130.637 0.300 . 1 . . . . 26 PHE CE2 . 10294 1
205 . 1 1 26 26 PHE CZ C 13 128.960 0.300 . 1 . . . . 26 PHE CZ . 10294 1
206 . 1 1 26 26 PHE N N 15 121.428 0.300 . 1 . . . . 26 PHE N . 10294 1
207 . 1 1 27 27 ALA H H 1 7.825 0.030 . 1 . . . . 27 ALA H . 10294 1
208 . 1 1 27 27 ALA HA H 1 4.062 0.030 . 1 . . . . 27 ALA HA . 10294 1
209 . 1 1 27 27 ALA HB1 H 1 1.539 0.030 . 1 . . . . 27 ALA HB . 10294 1
210 . 1 1 27 27 ALA HB2 H 1 1.539 0.030 . 1 . . . . 27 ALA HB . 10294 1
211 . 1 1 27 27 ALA HB3 H 1 1.539 0.030 . 1 . . . . 27 ALA HB . 10294 1
212 . 1 1 27 27 ALA C C 13 179.273 0.300 . 1 . . . . 27 ALA C . 10294 1
213 . 1 1 27 27 ALA CA C 13 53.975 0.300 . 1 . . . . 27 ALA CA . 10294 1
214 . 1 1 27 27 ALA CB C 13 18.276 0.300 . 1 . . . . 27 ALA CB . 10294 1
215 . 1 1 27 27 ALA N N 15 116.175 0.300 . 1 . . . . 27 ALA N . 10294 1
216 . 1 1 28 28 LYS H H 1 7.618 0.030 . 1 . . . . 28 LYS H . 10294 1
217 . 1 1 28 28 LYS HA H 1 4.251 0.030 . 1 . . . . 28 LYS HA . 10294 1
218 . 1 1 28 28 LYS HB2 H 1 2.096 0.030 . 2 . . . . 28 LYS HB2 . 10294 1
219 . 1 1 28 28 LYS HB3 H 1 2.055 0.030 . 2 . . . . 28 LYS HB3 . 10294 1
220 . 1 1 28 28 LYS HD2 H 1 1.732 0.030 . 1 . . . . 28 LYS HD2 . 10294 1
221 . 1 1 28 28 LYS HD3 H 1 1.732 0.030 . 1 . . . . 28 LYS HD3 . 10294 1
222 . 1 1 28 28 LYS HE2 H 1 3.011 0.030 . 2 . . . . 28 LYS HE2 . 10294 1
223 . 1 1 28 28 LYS HG2 H 1 1.446 0.030 . 2 . . . . 28 LYS HG2 . 10294 1
224 . 1 1 28 28 LYS HG3 H 1 1.677 0.030 . 2 . . . . 28 LYS HG3 . 10294 1
225 . 1 1 28 28 LYS C C 13 177.354 0.300 . 1 . . . . 28 LYS C . 10294 1
226 . 1 1 28 28 LYS CA C 13 58.122 0.300 . 1 . . . . 28 LYS CA . 10294 1
227 . 1 1 28 28 LYS CB C 13 33.315 0.300 . 1 . . . . 28 LYS CB . 10294 1
228 . 1 1 28 28 LYS CD C 13 29.392 0.300 . 1 . . . . 28 LYS CD . 10294 1
229 . 1 1 28 28 LYS CE C 13 42.136 0.300 . 1 . . . . 28 LYS CE . 10294 1
230 . 1 1 28 28 LYS CG C 13 25.023 0.300 . 1 . . . . 28 LYS CG . 10294 1
231 . 1 1 28 28 LYS N N 15 118.586 0.300 . 1 . . . . 28 LYS N . 10294 1
232 . 1 1 29 29 THR H H 1 8.820 0.030 . 1 . . . . 29 THR H . 10294 1
233 . 1 1 29 29 THR HA H 1 4.410 0.030 . 1 . . . . 29 THR HA . 10294 1
234 . 1 1 29 29 THR HB H 1 4.223 0.030 . 1 . . . . 29 THR HB . 10294 1
235 . 1 1 29 29 THR HG21 H 1 1.021 0.030 . 1 . . . . 29 THR HG2 . 10294 1
236 . 1 1 29 29 THR HG22 H 1 1.021 0.030 . 1 . . . . 29 THR HG2 . 10294 1
237 . 1 1 29 29 THR HG23 H 1 1.021 0.030 . 1 . . . . 29 THR HG2 . 10294 1
238 . 1 1 29 29 THR C C 13 170.360 0.300 . 1 . . . . 29 THR C . 10294 1
239 . 1 1 29 29 THR CA C 13 59.749 0.300 . 1 . . . . 29 THR CA . 10294 1
240 . 1 1 29 29 THR CB C 13 68.972 0.300 . 1 . . . . 29 THR CB . 10294 1
241 . 1 1 29 29 THR CG2 C 13 19.162 0.300 . 1 . . . . 29 THR CG2 . 10294 1
242 . 1 1 29 29 THR N N 15 116.094 0.300 . 1 . . . . 29 THR N . 10294 1
243 . 1 1 30 30 ARG H H 1 8.203 0.030 . 1 . . . . 30 ARG H . 10294 1
244 . 1 1 30 30 ARG HA H 1 3.957 0.030 . 1 . . . . 30 ARG HA . 10294 1
245 . 1 1 30 30 ARG HB2 H 1 1.429 0.030 . 2 . . . . 30 ARG HB2 . 10294 1
246 . 1 1 30 30 ARG HB3 H 1 1.263 0.030 . 2 . . . . 30 ARG HB3 . 10294 1
247 . 1 1 30 30 ARG HD2 H 1 2.963 0.030 . 2 . . . . 30 ARG HD2 . 10294 1
248 . 1 1 30 30 ARG HD3 H 1 2.847 0.030 . 2 . . . . 30 ARG HD3 . 10294 1
249 . 1 1 30 30 ARG HG2 H 1 0.447 0.030 . 2 . . . . 30 ARG HG2 . 10294 1
250 . 1 1 30 30 ARG HG3 H 1 1.364 0.030 . 2 . . . . 30 ARG HG3 . 10294 1
251 . 1 1 30 30 ARG C C 13 175.120 0.300 . 1 . . . . 30 ARG C . 10294 1
252 . 1 1 30 30 ARG CA C 13 56.750 0.300 . 1 . . . . 30 ARG CA . 10294 1
253 . 1 1 30 30 ARG CB C 13 30.444 0.300 . 1 . . . . 30 ARG CB . 10294 1
254 . 1 1 30 30 ARG CD C 13 43.857 0.300 . 1 . . . . 30 ARG CD . 10294 1
255 . 1 1 30 30 ARG CG C 13 27.350 0.300 . 1 . . . . 30 ARG CG . 10294 1
256 . 1 1 30 30 ARG N N 15 122.783 0.300 . 1 . . . . 30 ARG N . 10294 1
257 . 1 1 31 31 TYR H H 1 8.002 0.030 . 1 . . . . 31 TYR H . 10294 1
258 . 1 1 31 31 TYR HA H 1 4.686 0.030 . 1 . . . . 31 TYR HA . 10294 1
259 . 1 1 31 31 TYR HB2 H 1 3.031 0.030 . 2 . . . . 31 TYR HB2 . 10294 1
260 . 1 1 31 31 TYR HB3 H 1 2.539 0.030 . 2 . . . . 31 TYR HB3 . 10294 1
261 . 1 1 31 31 TYR HD1 H 1 7.054 0.030 . 1 . . . . 31 TYR HD1 . 10294 1
262 . 1 1 31 31 TYR HD2 H 1 7.054 0.030 . 1 . . . . 31 TYR HD2 . 10294 1
263 . 1 1 31 31 TYR HE1 H 1 6.774 0.030 . 1 . . . . 31 TYR HE1 . 10294 1
264 . 1 1 31 31 TYR HE2 H 1 6.774 0.030 . 1 . . . . 31 TYR HE2 . 10294 1
265 . 1 1 31 31 TYR C C 13 172.910 0.300 . 1 . . . . 31 TYR C . 10294 1
266 . 1 1 31 31 TYR CA C 13 55.303 0.300 . 1 . . . . 31 TYR CA . 10294 1
267 . 1 1 31 31 TYR CB C 13 39.057 0.300 . 1 . . . . 31 TYR CB . 10294 1
268 . 1 1 31 31 TYR CD1 C 13 133.587 0.300 . 1 . . . . 31 TYR CD1 . 10294 1
269 . 1 1 31 31 TYR CD2 C 13 133.587 0.300 . 1 . . . . 31 TYR CD2 . 10294 1
270 . 1 1 31 31 TYR CE1 C 13 118.015 0.300 . 1 . . . . 31 TYR CE1 . 10294 1
271 . 1 1 31 31 TYR CE2 C 13 118.015 0.300 . 1 . . . . 31 TYR CE2 . 10294 1
272 . 1 1 31 31 TYR N N 15 114.710 0.300 . 1 . . . . 31 TYR N . 10294 1
273 . 1 1 32 32 PRO HA H 1 4.427 0.030 . 1 . . . . 32 PRO HA . 10294 1
274 . 1 1 32 32 PRO HB2 H 1 1.603 0.030 . 1 . . . . 32 PRO HB2 . 10294 1
275 . 1 1 32 32 PRO HB3 H 1 1.603 0.030 . 1 . . . . 32 PRO HB3 . 10294 1
276 . 1 1 32 32 PRO HD2 H 1 3.084 0.030 . 2 . . . . 32 PRO HD2 . 10294 1
277 . 1 1 32 32 PRO HD3 H 1 2.999 0.030 . 2 . . . . 32 PRO HD3 . 10294 1
278 . 1 1 32 32 PRO HG2 H 1 0.092 0.030 . 2 . . . . 32 PRO HG2 . 10294 1
279 . 1 1 32 32 PRO HG3 H 1 1.069 0.030 . 2 . . . . 32 PRO HG3 . 10294 1
280 . 1 1 32 32 PRO C C 13 177.257 0.300 . 1 . . . . 32 PRO C . 10294 1
281 . 1 1 32 32 PRO CA C 13 62.838 0.300 . 1 . . . . 32 PRO CA . 10294 1
282 . 1 1 32 32 PRO CB C 13 32.082 0.300 . 1 . . . . 32 PRO CB . 10294 1
283 . 1 1 32 32 PRO CD C 13 51.000 0.300 . 1 . . . . 32 PRO CD . 10294 1
284 . 1 1 32 32 PRO CG C 13 25.589 0.300 . 1 . . . . 32 PRO CG . 10294 1
285 . 1 1 33 33 ASP H H 1 7.804 0.030 . 1 . . . . 33 ASP H . 10294 1
286 . 1 1 33 33 ASP HA H 1 4.509 0.030 . 1 . . . . 33 ASP HA . 10294 1
287 . 1 1 33 33 ASP HB2 H 1 3.223 0.030 . 2 . . . . 33 ASP HB2 . 10294 1
288 . 1 1 33 33 ASP HB3 H 1 2.833 0.030 . 2 . . . . 33 ASP HB3 . 10294 1
289 . 1 1 33 33 ASP C C 13 176.286 0.300 . 1 . . . . 33 ASP C . 10294 1
290 . 1 1 33 33 ASP CA C 13 52.894 0.300 . 1 . . . . 33 ASP CA . 10294 1
291 . 1 1 33 33 ASP CB C 13 41.475 0.300 . 1 . . . . 33 ASP CB . 10294 1
292 . 1 1 33 33 ASP N N 15 123.553 0.300 . 1 . . . . 33 ASP N . 10294 1
293 . 1 1 34 34 ILE H H 1 8.429 0.030 . 1 . . . . 34 ILE H . 10294 1
294 . 1 1 34 34 ILE HA H 1 3.700 0.030 . 1 . . . . 34 ILE HA . 10294 1
295 . 1 1 34 34 ILE HB H 1 1.651 0.030 . 1 . . . . 34 ILE HB . 10294 1
296 . 1 1 34 34 ILE HD11 H 1 0.789 0.030 . 1 . . . . 34 ILE HD1 . 10294 1
297 . 1 1 34 34 ILE HD12 H 1 0.789 0.030 . 1 . . . . 34 ILE HD1 . 10294 1
298 . 1 1 34 34 ILE HD13 H 1 0.789 0.030 . 1 . . . . 34 ILE HD1 . 10294 1
299 . 1 1 34 34 ILE HG12 H 1 1.118 0.030 . 1 . . . . 34 ILE HG12 . 10294 1
300 . 1 1 34 34 ILE HG13 H 1 1.118 0.030 . 1 . . . . 34 ILE HG13 . 10294 1
301 . 1 1 34 34 ILE HG21 H 1 0.369 0.030 . 1 . . . . 34 ILE HG2 . 10294 1
302 . 1 1 34 34 ILE HG22 H 1 0.369 0.030 . 1 . . . . 34 ILE HG2 . 10294 1
303 . 1 1 34 34 ILE HG23 H 1 0.369 0.030 . 1 . . . . 34 ILE HG2 . 10294 1
304 . 1 1 34 34 ILE C C 13 175.412 0.300 . 1 . . . . 34 ILE C . 10294 1
305 . 1 1 34 34 ILE CA C 13 63.602 0.300 . 1 . . . . 34 ILE CA . 10294 1
306 . 1 1 34 34 ILE CB C 13 37.846 0.300 . 1 . . . . 34 ILE CB . 10294 1
307 . 1 1 34 34 ILE CD1 C 13 14.223 0.300 . 1 . . . . 34 ILE CD1 . 10294 1
308 . 1 1 34 34 ILE CG1 C 13 29.236 0.300 . 1 . . . . 34 ILE CG1 . 10294 1
309 . 1 1 34 34 ILE CG2 C 13 16.579 0.300 . 1 . . . . 34 ILE CG2 . 10294 1
310 . 1 1 34 34 ILE N N 15 117.269 0.300 . 1 . . . . 34 ILE N . 10294 1
311 . 1 1 35 35 PHE H H 1 7.086 0.030 . 1 . . . . 35 PHE H . 10294 1
312 . 1 1 35 35 PHE HA H 1 4.287 0.030 . 1 . . . . 35 PHE HA . 10294 1
313 . 1 1 35 35 PHE HB2 H 1 3.270 0.030 . 2 . . . . 35 PHE HB2 . 10294 1
314 . 1 1 35 35 PHE HB3 H 1 3.199 0.030 . 2 . . . . 35 PHE HB3 . 10294 1
315 . 1 1 35 35 PHE HD1 H 1 7.341 0.030 . 1 . . . . 35 PHE HD1 . 10294 1
316 . 1 1 35 35 PHE HD2 H 1 7.341 0.030 . 1 . . . . 35 PHE HD2 . 10294 1
317 . 1 1 35 35 PHE HE1 H 1 7.384 0.030 . 1 . . . . 35 PHE HE1 . 10294 1
318 . 1 1 35 35 PHE HE2 H 1 7.384 0.030 . 1 . . . . 35 PHE HE2 . 10294 1
319 . 1 1 35 35 PHE HZ H 1 7.293 0.030 . 1 . . . . 35 PHE HZ . 10294 1
320 . 1 1 35 35 PHE C C 13 179.589 0.300 . 1 . . . . 35 PHE C . 10294 1
321 . 1 1 35 35 PHE CA C 13 60.676 0.300 . 1 . . . . 35 PHE CA . 10294 1
322 . 1 1 35 35 PHE CB C 13 37.731 0.300 . 1 . . . . 35 PHE CB . 10294 1
323 . 1 1 35 35 PHE CD1 C 13 131.755 0.300 . 1 . . . . 35 PHE CD1 . 10294 1
324 . 1 1 35 35 PHE CD2 C 13 131.755 0.300 . 1 . . . . 35 PHE CD2 . 10294 1
325 . 1 1 35 35 PHE CE1 C 13 131.822 0.300 . 1 . . . . 35 PHE CE1 . 10294 1
326 . 1 1 35 35 PHE CE2 C 13 131.822 0.300 . 1 . . . . 35 PHE CE2 . 10294 1
327 . 1 1 35 35 PHE CZ C 13 129.944 0.300 . 1 . . . . 35 PHE CZ . 10294 1
328 . 1 1 35 35 PHE N N 15 121.852 0.300 . 1 . . . . 35 PHE N . 10294 1
329 . 1 1 36 36 MET H H 1 8.559 0.030 . 1 . . . . 36 MET H . 10294 1
330 . 1 1 36 36 MET HA H 1 4.216 0.030 . 1 . . . . 36 MET HA . 10294 1
331 . 1 1 36 36 MET HB2 H 1 2.165 0.030 . 2 . . . . 36 MET HB2 . 10294 1
332 . 1 1 36 36 MET HB3 H 1 1.959 0.030 . 2 . . . . 36 MET HB3 . 10294 1
333 . 1 1 36 36 MET HE1 H 1 2.212 0.030 . 1 . . . . 36 MET HE . 10294 1
334 . 1 1 36 36 MET HE2 H 1 2.212 0.030 . 1 . . . . 36 MET HE . 10294 1
335 . 1 1 36 36 MET HE3 H 1 2.212 0.030 . 1 . . . . 36 MET HE . 10294 1
336 . 1 1 36 36 MET HG2 H 1 2.669 0.030 . 2 . . . . 36 MET HG2 . 10294 1
337 . 1 1 36 36 MET HG3 H 1 2.971 0.030 . 2 . . . . 36 MET HG3 . 10294 1
338 . 1 1 36 36 MET C C 13 179.904 0.300 . 1 . . . . 36 MET C . 10294 1
339 . 1 1 36 36 MET CA C 13 58.849 0.300 . 1 . . . . 36 MET CA . 10294 1
340 . 1 1 36 36 MET CB C 13 33.757 0.300 . 1 . . . . 36 MET CB . 10294 1
341 . 1 1 36 36 MET CE C 13 17.984 0.300 . 1 . . . . 36 MET CE . 10294 1
342 . 1 1 36 36 MET CG C 13 32.994 0.300 . 1 . . . . 36 MET CG . 10294 1
343 . 1 1 36 36 MET N N 15 120.502 0.300 . 1 . . . . 36 MET N . 10294 1
344 . 1 1 37 37 ARG H H 1 8.495 0.030 . 1 . . . . 37 ARG H . 10294 1
345 . 1 1 37 37 ARG HA H 1 3.839 0.030 . 1 . . . . 37 ARG HA . 10294 1
346 . 1 1 37 37 ARG HB2 H 1 1.664 0.030 . 2 . . . . 37 ARG HB2 . 10294 1
347 . 1 1 37 37 ARG HB3 H 1 2.168 0.030 . 2 . . . . 37 ARG HB3 . 10294 1
348 . 1 1 37 37 ARG HD2 H 1 2.774 0.030 . 2 . . . . 37 ARG HD2 . 10294 1
349 . 1 1 37 37 ARG HD3 H 1 3.288 0.030 . 2 . . . . 37 ARG HD3 . 10294 1
350 . 1 1 37 37 ARG HG2 H 1 0.589 0.030 . 2 . . . . 37 ARG HG2 . 10294 1
351 . 1 1 37 37 ARG HG3 H 1 1.984 0.030 . 2 . . . . 37 ARG HG3 . 10294 1
352 . 1 1 37 37 ARG C C 13 178.326 0.300 . 1 . . . . 37 ARG C . 10294 1
353 . 1 1 37 37 ARG CA C 13 60.738 0.300 . 1 . . . . 37 ARG CA . 10294 1
354 . 1 1 37 37 ARG CB C 13 31.601 0.300 . 1 . . . . 37 ARG CB . 10294 1
355 . 1 1 37 37 ARG CD C 13 43.849 0.300 . 1 . . . . 37 ARG CD . 10294 1
356 . 1 1 37 37 ARG CG C 13 29.458 0.300 . 1 . . . . 37 ARG CG . 10294 1
357 . 1 1 37 37 ARG N N 15 117.379 0.300 . 1 . . . . 37 ARG N . 10294 1
358 . 1 1 38 38 GLU H H 1 8.793 0.030 . 1 . . . . 38 GLU H . 10294 1
359 . 1 1 38 38 GLU HA H 1 4.028 0.030 . 1 . . . . 38 GLU HA . 10294 1
360 . 1 1 38 38 GLU HB2 H 1 2.036 0.030 . 2 . . . . 38 GLU HB2 . 10294 1
361 . 1 1 38 38 GLU HB3 H 1 2.198 0.030 . 2 . . . . 38 GLU HB3 . 10294 1
362 . 1 1 38 38 GLU HG2 H 1 2.526 0.030 . 2 . . . . 38 GLU HG2 . 10294 1
363 . 1 1 38 38 GLU HG3 H 1 2.229 0.030 . 2 . . . . 38 GLU HG3 . 10294 1
364 . 1 1 38 38 GLU C C 13 179.079 0.300 . 1 . . . . 38 GLU C . 10294 1
365 . 1 1 38 38 GLU CA C 13 59.682 0.300 . 1 . . . . 38 GLU CA . 10294 1
366 . 1 1 38 38 GLU CB C 13 29.555 0.300 . 1 . . . . 38 GLU CB . 10294 1
367 . 1 1 38 38 GLU CG C 13 36.841 0.300 . 1 . . . . 38 GLU CG . 10294 1
368 . 1 1 38 38 GLU N N 15 119.411 0.300 . 1 . . . . 38 GLU N . 10294 1
369 . 1 1 39 39 GLU H H 1 7.909 0.030 . 1 . . . . 39 GLU H . 10294 1
370 . 1 1 39 39 GLU HA H 1 4.090 0.030 . 1 . . . . 39 GLU HA . 10294 1
371 . 1 1 39 39 GLU HB2 H 1 2.165 0.030 . 1 . . . . 39 GLU HB2 . 10294 1
372 . 1 1 39 39 GLU HB3 H 1 2.165 0.030 . 1 . . . . 39 GLU HB3 . 10294 1
373 . 1 1 39 39 GLU HG2 H 1 2.367 0.030 . 2 . . . . 39 GLU HG2 . 10294 1
374 . 1 1 39 39 GLU HG3 H 1 2.119 0.030 . 2 . . . . 39 GLU HG3 . 10294 1
375 . 1 1 39 39 GLU C C 13 179.662 0.300 . 1 . . . . 39 GLU C . 10294 1
376 . 1 1 39 39 GLU CA C 13 59.776 0.300 . 1 . . . . 39 GLU CA . 10294 1
377 . 1 1 39 39 GLU CB C 13 29.688 0.300 . 1 . . . . 39 GLU CB . 10294 1
378 . 1 1 39 39 GLU CG C 13 36.454 0.300 . 1 . . . . 39 GLU CG . 10294 1
379 . 1 1 39 39 GLU N N 15 119.625 0.300 . 1 . . . . 39 GLU N . 10294 1
380 . 1 1 40 40 VAL H H 1 7.732 0.030 . 1 . . . . 40 VAL H . 10294 1
381 . 1 1 40 40 VAL HA H 1 3.836 0.030 . 1 . . . . 40 VAL HA . 10294 1
382 . 1 1 40 40 VAL HB H 1 2.163 0.030 . 1 . . . . 40 VAL HB . 10294 1
383 . 1 1 40 40 VAL HG11 H 1 1.110 0.030 . 1 . . . . 40 VAL HG1 . 10294 1
384 . 1 1 40 40 VAL HG12 H 1 1.110 0.030 . 1 . . . . 40 VAL HG1 . 10294 1
385 . 1 1 40 40 VAL HG13 H 1 1.110 0.030 . 1 . . . . 40 VAL HG1 . 10294 1
386 . 1 1 40 40 VAL HG21 H 1 1.023 0.030 . 1 . . . . 40 VAL HG2 . 10294 1
387 . 1 1 40 40 VAL HG22 H 1 1.023 0.030 . 1 . . . . 40 VAL HG2 . 10294 1
388 . 1 1 40 40 VAL HG23 H 1 1.023 0.030 . 1 . . . . 40 VAL HG2 . 10294 1
389 . 1 1 40 40 VAL C C 13 176.674 0.300 . 1 . . . . 40 VAL C . 10294 1
390 . 1 1 40 40 VAL CA C 13 65.856 0.300 . 1 . . . . 40 VAL CA . 10294 1
391 . 1 1 40 40 VAL CB C 13 31.416 0.300 . 1 . . . . 40 VAL CB . 10294 1
392 . 1 1 40 40 VAL CG1 C 13 24.524 0.300 . 2 . . . . 40 VAL CG1 . 10294 1
393 . 1 1 40 40 VAL CG2 C 13 22.581 0.300 . 2 . . . . 40 VAL CG2 . 10294 1
394 . 1 1 40 40 VAL N N 15 118.226 0.300 . 1 . . . . 40 VAL N . 10294 1
395 . 1 1 41 41 ALA H H 1 8.405 0.030 . 1 . . . . 41 ALA H . 10294 1
396 . 1 1 41 41 ALA HA H 1 3.843 0.030 . 1 . . . . 41 ALA HA . 10294 1
397 . 1 1 41 41 ALA HB1 H 1 1.677 0.030 . 1 . . . . 41 ALA HB . 10294 1
398 . 1 1 41 41 ALA HB2 H 1 1.677 0.030 . 1 . . . . 41 ALA HB . 10294 1
399 . 1 1 41 41 ALA HB3 H 1 1.677 0.030 . 1 . . . . 41 ALA HB . 10294 1
400 . 1 1 41 41 ALA C C 13 179.856 0.300 . 1 . . . . 41 ALA C . 10294 1
401 . 1 1 41 41 ALA CA C 13 56.009 0.300 . 1 . . . . 41 ALA CA . 10294 1
402 . 1 1 41 41 ALA CB C 13 17.646 0.300 . 1 . . . . 41 ALA CB . 10294 1
403 . 1 1 41 41 ALA N N 15 124.532 0.300 . 1 . . . . 41 ALA N . 10294 1
404 . 1 1 42 42 LEU H H 1 7.711 0.030 . 1 . . . . 42 LEU H . 10294 1
405 . 1 1 42 42 LEU HA H 1 4.199 0.030 . 1 . . . . 42 LEU HA . 10294 1
406 . 1 1 42 42 LEU HB2 H 1 1.873 0.030 . 2 . . . . 42 LEU HB2 . 10294 1
407 . 1 1 42 42 LEU HB3 H 1 1.690 0.030 . 2 . . . . 42 LEU HB3 . 10294 1
408 . 1 1 42 42 LEU HD11 H 1 0.965 0.030 . 1 . . . . 42 LEU HD1 . 10294 1
409 . 1 1 42 42 LEU HD12 H 1 0.965 0.030 . 1 . . . . 42 LEU HD1 . 10294 1
410 . 1 1 42 42 LEU HD13 H 1 0.965 0.030 . 1 . . . . 42 LEU HD1 . 10294 1
411 . 1 1 42 42 LEU HD21 H 1 0.944 0.030 . 1 . . . . 42 LEU HD2 . 10294 1
412 . 1 1 42 42 LEU HD22 H 1 0.944 0.030 . 1 . . . . 42 LEU HD2 . 10294 1
413 . 1 1 42 42 LEU HD23 H 1 0.944 0.030 . 1 . . . . 42 LEU HD2 . 10294 1
414 . 1 1 42 42 LEU HG H 1 1.815 0.030 . 1 . . . . 42 LEU HG . 10294 1
415 . 1 1 42 42 LEU C C 13 180.317 0.300 . 1 . . . . 42 LEU C . 10294 1
416 . 1 1 42 42 LEU CA C 13 57.484 0.300 . 1 . . . . 42 LEU CA . 10294 1
417 . 1 1 42 42 LEU CB C 13 42.346 0.300 . 1 . . . . 42 LEU CB . 10294 1
418 . 1 1 42 42 LEU CD1 C 13 24.874 0.300 . 2 . . . . 42 LEU CD1 . 10294 1
419 . 1 1 42 42 LEU CD2 C 13 23.897 0.300 . 2 . . . . 42 LEU CD2 . 10294 1
420 . 1 1 42 42 LEU CG C 13 27.000 0.300 . 1 . . . . 42 LEU CG . 10294 1
421 . 1 1 42 42 LEU N N 15 116.217 0.300 . 1 . . . . 42 LEU N . 10294 1
422 . 1 1 43 43 LYS H H 1 7.615 0.030 . 1 . . . . 43 LYS H . 10294 1
423 . 1 1 43 43 LYS HA H 1 4.133 0.030 . 1 . . . . 43 LYS HA . 10294 1
424 . 1 1 43 43 LYS HB2 H 1 2.062 0.030 . 2 . . . . 43 LYS HB2 . 10294 1
425 . 1 1 43 43 LYS HB3 H 1 2.012 0.030 . 2 . . . . 43 LYS HB3 . 10294 1
426 . 1 1 43 43 LYS HD2 H 1 1.696 0.030 . 1 . . . . 43 LYS HD2 . 10294 1
427 . 1 1 43 43 LYS HD3 H 1 1.696 0.030 . 1 . . . . 43 LYS HD3 . 10294 1
428 . 1 1 43 43 LYS HE2 H 1 2.974 0.030 . 1 . . . . 43 LYS HE2 . 10294 1
429 . 1 1 43 43 LYS HE3 H 1 2.974 0.030 . 1 . . . . 43 LYS HE3 . 10294 1
430 . 1 1 43 43 LYS HG2 H 1 1.669 0.030 . 2 . . . . 43 LYS HG2 . 10294 1
431 . 1 1 43 43 LYS HG3 H 1 1.507 0.030 . 2 . . . . 43 LYS HG3 . 10294 1
432 . 1 1 43 43 LYS C C 13 178.933 0.300 . 1 . . . . 43 LYS C . 10294 1
433 . 1 1 43 43 LYS CA C 13 59.269 0.300 . 1 . . . . 43 LYS CA . 10294 1
434 . 1 1 43 43 LYS CB C 13 33.232 0.300 . 1 . . . . 43 LYS CB . 10294 1
435 . 1 1 43 43 LYS CD C 13 29.528 0.300 . 1 . . . . 43 LYS CD . 10294 1
436 . 1 1 43 43 LYS CE C 13 42.099 0.300 . 1 . . . . 43 LYS CE . 10294 1
437 . 1 1 43 43 LYS CG C 13 25.393 0.300 . 1 . . . . 43 LYS CG . 10294 1
438 . 1 1 43 43 LYS N N 15 118.909 0.300 . 1 . . . . 43 LYS N . 10294 1
439 . 1 1 44 44 ILE H H 1 8.057 0.030 . 1 . . . . 44 ILE H . 10294 1
440 . 1 1 44 44 ILE HA H 1 4.638 0.030 . 1 . . . . 44 ILE HA . 10294 1
441 . 1 1 44 44 ILE HB H 1 2.272 0.030 . 1 . . . . 44 ILE HB . 10294 1
442 . 1 1 44 44 ILE HD11 H 1 0.641 0.030 . 1 . . . . 44 ILE HD1 . 10294 1
443 . 1 1 44 44 ILE HD12 H 1 0.641 0.030 . 1 . . . . 44 ILE HD1 . 10294 1
444 . 1 1 44 44 ILE HD13 H 1 0.641 0.030 . 1 . . . . 44 ILE HD1 . 10294 1
445 . 1 1 44 44 ILE HG12 H 1 1.792 0.030 . 2 . . . . 44 ILE HG12 . 10294 1
446 . 1 1 44 44 ILE HG13 H 1 1.202 0.030 . 2 . . . . 44 ILE HG13 . 10294 1
447 . 1 1 44 44 ILE HG21 H 1 0.950 0.030 . 1 . . . . 44 ILE HG2 . 10294 1
448 . 1 1 44 44 ILE HG22 H 1 0.950 0.030 . 1 . . . . 44 ILE HG2 . 10294 1
449 . 1 1 44 44 ILE HG23 H 1 0.950 0.030 . 1 . . . . 44 ILE HG2 . 10294 1
450 . 1 1 44 44 ILE C C 13 174.853 0.300 . 1 . . . . 44 ILE C . 10294 1
451 . 1 1 44 44 ILE CA C 13 60.676 0.300 . 1 . . . . 44 ILE CA . 10294 1
452 . 1 1 44 44 ILE CB C 13 38.258 0.300 . 1 . . . . 44 ILE CB . 10294 1
453 . 1 1 44 44 ILE CD1 C 13 14.981 0.300 . 1 . . . . 44 ILE CD1 . 10294 1
454 . 1 1 44 44 ILE CG1 C 13 23.935 0.300 . 1 . . . . 44 ILE CG1 . 10294 1
455 . 1 1 44 44 ILE CG2 C 13 17.083 0.300 . 1 . . . . 44 ILE CG2 . 10294 1
456 . 1 1 44 44 ILE N N 15 108.541 0.300 . 1 . . . . 44 ILE N . 10294 1
457 . 1 1 45 45 ASN H H 1 7.885 0.030 . 1 . . . . 45 ASN H . 10294 1
458 . 1 1 45 45 ASN HA H 1 4.400 0.030 . 1 . . . . 45 ASN HA . 10294 1
459 . 1 1 45 45 ASN HB2 H 1 2.667 0.030 . 2 . . . . 45 ASN HB2 . 10294 1
460 . 1 1 45 45 ASN HB3 H 1 3.236 0.030 . 2 . . . . 45 ASN HB3 . 10294 1
461 . 1 1 45 45 ASN HD21 H 1 6.787 0.030 . 2 . . . . 45 ASN HD21 . 10294 1
462 . 1 1 45 45 ASN HD22 H 1 7.461 0.030 . 2 . . . . 45 ASN HD22 . 10294 1
463 . 1 1 45 45 ASN C C 13 173.857 0.300 . 1 . . . . 45 ASN C . 10294 1
464 . 1 1 45 45 ASN CA C 13 54.104 0.300 . 1 . . . . 45 ASN CA . 10294 1
465 . 1 1 45 45 ASN CB C 13 37.082 0.300 . 1 . . . . 45 ASN CB . 10294 1
466 . 1 1 45 45 ASN N N 15 119.396 0.300 . 1 . . . . 45 ASN N . 10294 1
467 . 1 1 45 45 ASN ND2 N 15 111.350 0.300 . 1 . . . . 45 ASN ND2 . 10294 1
468 . 1 1 46 46 LEU H H 1 8.195 0.030 . 1 . . . . 46 LEU H . 10294 1
469 . 1 1 46 46 LEU HA H 1 4.961 0.030 . 1 . . . . 46 LEU HA . 10294 1
470 . 1 1 46 46 LEU HB2 H 1 1.232 0.030 . 2 . . . . 46 LEU HB2 . 10294 1
471 . 1 1 46 46 LEU HB3 H 1 1.345 0.030 . 2 . . . . 46 LEU HB3 . 10294 1
472 . 1 1 46 46 LEU HD11 H 1 0.724 0.030 . 1 . . . . 46 LEU HD1 . 10294 1
473 . 1 1 46 46 LEU HD12 H 1 0.724 0.030 . 1 . . . . 46 LEU HD1 . 10294 1
474 . 1 1 46 46 LEU HD13 H 1 0.724 0.030 . 1 . . . . 46 LEU HD1 . 10294 1
475 . 1 1 46 46 LEU HD21 H 1 0.999 0.030 . 1 . . . . 46 LEU HD2 . 10294 1
476 . 1 1 46 46 LEU HD22 H 1 0.999 0.030 . 1 . . . . 46 LEU HD2 . 10294 1
477 . 1 1 46 46 LEU HD23 H 1 0.999 0.030 . 1 . . . . 46 LEU HD2 . 10294 1
478 . 1 1 46 46 LEU HG H 1 1.603 0.030 . 1 . . . . 46 LEU HG . 10294 1
479 . 1 1 46 46 LEU CA C 13 52.101 0.300 . 1 . . . . 46 LEU CA . 10294 1
480 . 1 1 46 46 LEU CB C 13 46.563 0.300 . 1 . . . . 46 LEU CB . 10294 1
481 . 1 1 46 46 LEU CD1 C 13 26.626 0.300 . 2 . . . . 46 LEU CD1 . 10294 1
482 . 1 1 46 46 LEU CD2 C 13 23.954 0.300 . 2 . . . . 46 LEU CD2 . 10294 1
483 . 1 1 46 46 LEU CG C 13 26.643 0.300 . 1 . . . . 46 LEU CG . 10294 1
484 . 1 1 46 46 LEU N N 15 119.142 0.300 . 1 . . . . 46 LEU N . 10294 1
485 . 1 1 47 47 PRO HA H 1 4.547 0.030 . 1 . . . . 47 PRO HA . 10294 1
486 . 1 1 47 47 PRO HB2 H 1 2.000 0.030 . 2 . . . . 47 PRO HB2 . 10294 1
487 . 1 1 47 47 PRO HB3 H 1 2.517 0.030 . 2 . . . . 47 PRO HB3 . 10294 1
488 . 1 1 47 47 PRO HD2 H 1 3.428 0.030 . 2 . . . . 47 PRO HD2 . 10294 1
489 . 1 1 47 47 PRO HD3 H 1 3.881 0.030 . 2 . . . . 47 PRO HD3 . 10294 1
490 . 1 1 47 47 PRO HG2 H 1 2.099 0.030 . 1 . . . . 47 PRO HG2 . 10294 1
491 . 1 1 47 47 PRO HG3 H 1 2.099 0.030 . 1 . . . . 47 PRO HG3 . 10294 1
492 . 1 1 47 47 PRO C C 13 178.350 0.300 . 1 . . . . 47 PRO C . 10294 1
493 . 1 1 47 47 PRO CA C 13 62.434 0.300 . 1 . . . . 47 PRO CA . 10294 1
494 . 1 1 47 47 PRO CB C 13 32.295 0.300 . 1 . . . . 47 PRO CB . 10294 1
495 . 1 1 47 47 PRO CD C 13 50.549 0.300 . 1 . . . . 47 PRO CD . 10294 1
496 . 1 1 47 47 PRO CG C 13 27.930 0.300 . 1 . . . . 47 PRO CG . 10294 1
497 . 1 1 48 48 GLU H H 1 9.242 0.030 . 1 . . . . 48 GLU H . 10294 1
498 . 1 1 48 48 GLU HA H 1 3.689 0.030 . 1 . . . . 48 GLU HA . 10294 1
499 . 1 1 48 48 GLU HB2 H 1 1.952 0.030 . 2 . . . . 48 GLU HB2 . 10294 1
500 . 1 1 48 48 GLU HB3 H 1 2.302 0.030 . 2 . . . . 48 GLU HB3 . 10294 1
501 . 1 1 48 48 GLU HG2 H 1 2.061 0.030 . 2 . . . . 48 GLU HG2 . 10294 1
502 . 1 1 48 48 GLU HG3 H 1 2.355 0.030 . 2 . . . . 48 GLU HG3 . 10294 1
503 . 1 1 48 48 GLU C C 13 178.326 0.300 . 1 . . . . 48 GLU C . 10294 1
504 . 1 1 48 48 GLU CA C 13 61.058 0.300 . 1 . . . . 48 GLU CA . 10294 1
505 . 1 1 48 48 GLU CB C 13 28.537 0.300 . 1 . . . . 48 GLU CB . 10294 1
506 . 1 1 48 48 GLU CG C 13 36.475 0.300 . 1 . . . . 48 GLU CG . 10294 1
507 . 1 1 48 48 GLU N N 15 125.487 0.300 . 1 . . . . 48 GLU N . 10294 1
508 . 1 1 49 49 SER H H 1 8.653 0.030 . 1 . . . . 49 SER H . 10294 1
509 . 1 1 49 49 SER HA H 1 4.058 0.030 . 1 . . . . 49 SER HA . 10294 1
510 . 1 1 49 49 SER HB2 H 1 3.960 0.030 . 2 . . . . 49 SER HB2 . 10294 1
511 . 1 1 49 49 SER HB3 H 1 4.008 0.030 . 2 . . . . 49 SER HB3 . 10294 1
512 . 1 1 49 49 SER C C 13 177.549 0.300 . 1 . . . . 49 SER C . 10294 1
513 . 1 1 49 49 SER CA C 13 61.266 0.300 . 1 . . . . 49 SER CA . 10294 1
514 . 1 1 49 49 SER CB C 13 61.658 0.300 . 1 . . . . 49 SER CB . 10294 1
515 . 1 1 49 49 SER N N 15 113.467 0.300 . 1 . . . . 49 SER N . 10294 1
516 . 1 1 50 50 ARG H H 1 7.489 0.030 . 1 . . . . 50 ARG H . 10294 1
517 . 1 1 50 50 ARG HA H 1 4.344 0.030 . 1 . . . . 50 ARG HA . 10294 1
518 . 1 1 50 50 ARG HB2 H 1 2.114 0.030 . 1 . . . . 50 ARG HB2 . 10294 1
519 . 1 1 50 50 ARG HB3 H 1 2.114 0.030 . 1 . . . . 50 ARG HB3 . 10294 1
520 . 1 1 50 50 ARG HD2 H 1 3.307 0.030 . 2 . . . . 50 ARG HD2 . 10294 1
521 . 1 1 50 50 ARG HD3 H 1 3.270 0.030 . 2 . . . . 50 ARG HD3 . 10294 1
522 . 1 1 50 50 ARG HG2 H 1 1.906 0.030 . 2 . . . . 50 ARG HG2 . 10294 1
523 . 1 1 50 50 ARG HG3 H 1 1.825 0.030 . 2 . . . . 50 ARG HG3 . 10294 1
524 . 1 1 50 50 ARG C C 13 179.467 0.300 . 1 . . . . 50 ARG C . 10294 1
525 . 1 1 50 50 ARG CA C 13 57.575 0.300 . 1 . . . . 50 ARG CA . 10294 1
526 . 1 1 50 50 ARG CB C 13 29.523 0.300 . 1 . . . . 50 ARG CB . 10294 1
527 . 1 1 50 50 ARG CD C 13 42.207 0.300 . 1 . . . . 50 ARG CD . 10294 1
528 . 1 1 50 50 ARG CG C 13 27.159 0.300 . 1 . . . . 50 ARG CG . 10294 1
529 . 1 1 50 50 ARG N N 15 120.329 0.300 . 1 . . . . 50 ARG N . 10294 1
530 . 1 1 51 51 VAL H H 1 7.598 0.030 . 1 . . . . 51 VAL H . 10294 1
531 . 1 1 51 51 VAL HA H 1 3.733 0.030 . 1 . . . . 51 VAL HA . 10294 1
532 . 1 1 51 51 VAL HB H 1 2.675 0.030 . 1 . . . . 51 VAL HB . 10294 1
533 . 1 1 51 51 VAL HG11 H 1 1.131 0.030 . 1 . . . . 51 VAL HG1 . 10294 1
534 . 1 1 51 51 VAL HG12 H 1 1.131 0.030 . 1 . . . . 51 VAL HG1 . 10294 1
535 . 1 1 51 51 VAL HG13 H 1 1.131 0.030 . 1 . . . . 51 VAL HG1 . 10294 1
536 . 1 1 51 51 VAL HG21 H 1 1.030 0.030 . 1 . . . . 51 VAL HG2 . 10294 1
537 . 1 1 51 51 VAL HG22 H 1 1.030 0.030 . 1 . . . . 51 VAL HG2 . 10294 1
538 . 1 1 51 51 VAL HG23 H 1 1.030 0.030 . 1 . . . . 51 VAL HG2 . 10294 1
539 . 1 1 51 51 VAL C C 13 177.767 0.300 . 1 . . . . 51 VAL C . 10294 1
540 . 1 1 51 51 VAL CA C 13 67.082 0.300 . 1 . . . . 51 VAL CA . 10294 1
541 . 1 1 51 51 VAL CB C 13 31.945 0.300 . 1 . . . . 51 VAL CB . 10294 1
542 . 1 1 51 51 VAL CG1 C 13 21.539 0.300 . 2 . . . . 51 VAL CG1 . 10294 1
543 . 1 1 51 51 VAL CG2 C 13 22.725 0.300 . 2 . . . . 51 VAL CG2 . 10294 1
544 . 1 1 51 51 VAL N N 15 121.456 0.300 . 1 . . . . 51 VAL N . 10294 1
545 . 1 1 52 52 GLN H H 1 8.579 0.030 . 1 . . . . 52 GLN H . 10294 1
546 . 1 1 52 52 GLN HA H 1 4.338 0.030 . 1 . . . . 52 GLN HA . 10294 1
547 . 1 1 52 52 GLN HB2 H 1 2.319 0.030 . 2 . . . . 52 GLN HB2 . 10294 1
548 . 1 1 52 52 GLN HB3 H 1 2.264 0.030 . 2 . . . . 52 GLN HB3 . 10294 1
549 . 1 1 52 52 GLN HE21 H 1 6.688 0.030 . 2 . . . . 52 GLN HE21 . 10294 1
550 . 1 1 52 52 GLN HE22 H 1 7.937 0.030 . 2 . . . . 52 GLN HE22 . 10294 1
551 . 1 1 52 52 GLN HG2 H 1 2.486 0.030 . 2 . . . . 52 GLN HG2 . 10294 1
552 . 1 1 52 52 GLN HG3 H 1 2.346 0.030 . 2 . . . . 52 GLN HG3 . 10294 1
553 . 1 1 52 52 GLN C C 13 178.836 0.300 . 1 . . . . 52 GLN C . 10294 1
554 . 1 1 52 52 GLN CA C 13 60.257 0.300 . 1 . . . . 52 GLN CA . 10294 1
555 . 1 1 52 52 GLN CB C 13 28.377 0.300 . 1 . . . . 52 GLN CB . 10294 1
556 . 1 1 52 52 GLN CG C 13 33.514 0.300 . 1 . . . . 52 GLN CG . 10294 1
557 . 1 1 52 52 GLN N N 15 119.679 0.300 . 1 . . . . 52 GLN N . 10294 1
558 . 1 1 52 52 GLN NE2 N 15 111.406 0.300 . 1 . . . . 52 GLN NE2 . 10294 1
559 . 1 1 53 53 VAL H H 1 7.777 0.030 . 1 . . . . 53 VAL H . 10294 1
560 . 1 1 53 53 VAL HA H 1 3.667 0.030 . 1 . . . . 53 VAL HA . 10294 1
561 . 1 1 53 53 VAL HB H 1 2.245 0.030 . 1 . . . . 53 VAL HB . 10294 1
562 . 1 1 53 53 VAL HG11 H 1 1.086 0.030 . 1 . . . . 53 VAL HG1 . 10294 1
563 . 1 1 53 53 VAL HG12 H 1 1.086 0.030 . 1 . . . . 53 VAL HG1 . 10294 1
564 . 1 1 53 53 VAL HG13 H 1 1.086 0.030 . 1 . . . . 53 VAL HG1 . 10294 1
565 . 1 1 53 53 VAL HG21 H 1 1.213 0.030 . 1 . . . . 53 VAL HG2 . 10294 1
566 . 1 1 53 53 VAL HG22 H 1 1.213 0.030 . 1 . . . . 53 VAL HG2 . 10294 1
567 . 1 1 53 53 VAL HG23 H 1 1.213 0.030 . 1 . . . . 53 VAL HG2 . 10294 1
568 . 1 1 53 53 VAL C C 13 177.379 0.300 . 1 . . . . 53 VAL C . 10294 1
569 . 1 1 53 53 VAL CA C 13 67.004 0.300 . 1 . . . . 53 VAL CA . 10294 1
570 . 1 1 53 53 VAL CB C 13 32.237 0.300 . 1 . . . . 53 VAL CB . 10294 1
571 . 1 1 53 53 VAL CG1 C 13 21.671 0.300 . 2 . . . . 53 VAL CG1 . 10294 1
572 . 1 1 53 53 VAL CG2 C 13 23.434 0.300 . 2 . . . . 53 VAL CG2 . 10294 1
573 . 1 1 53 53 VAL N N 15 119.215 0.300 . 1 . . . . 53 VAL N . 10294 1
574 . 1 1 54 54 TRP H H 1 8.177 0.030 . 1 . . . . 54 TRP H . 10294 1
575 . 1 1 54 54 TRP HA H 1 4.074 0.030 . 1 . . . . 54 TRP HA . 10294 1
576 . 1 1 54 54 TRP HB2 H 1 3.499 0.030 . 2 . . . . 54 TRP HB2 . 10294 1
577 . 1 1 54 54 TRP HB3 H 1 3.242 0.030 . 2 . . . . 54 TRP HB3 . 10294 1
578 . 1 1 54 54 TRP HD1 H 1 6.662 0.030 . 1 . . . . 54 TRP HD1 . 10294 1
579 . 1 1 54 54 TRP HE1 H 1 9.159 0.030 . 1 . . . . 54 TRP HE1 . 10294 1
580 . 1 1 54 54 TRP HE3 H 1 6.551 0.030 . 1 . . . . 54 TRP HE3 . 10294 1
581 . 1 1 54 54 TRP HH2 H 1 6.224 0.030 . 1 . . . . 54 TRP HH2 . 10294 1
582 . 1 1 54 54 TRP HZ2 H 1 7.138 0.030 . 1 . . . . 54 TRP HZ2 . 10294 1
583 . 1 1 54 54 TRP HZ3 H 1 5.592 0.030 . 1 . . . . 54 TRP HZ3 . 10294 1
584 . 1 1 54 54 TRP C C 13 179.589 0.300 . 1 . . . . 54 TRP C . 10294 1
585 . 1 1 54 54 TRP CA C 13 63.273 0.300 . 1 . . . . 54 TRP CA . 10294 1
586 . 1 1 54 54 TRP CB C 13 28.458 0.300 . 1 . . . . 54 TRP CB . 10294 1
587 . 1 1 54 54 TRP CD1 C 13 127.161 0.300 . 1 . . . . 54 TRP CD1 . 10294 1
588 . 1 1 54 54 TRP CE3 C 13 120.989 0.300 . 1 . . . . 54 TRP CE3 . 10294 1
589 . 1 1 54 54 TRP CH2 C 13 123.233 0.300 . 1 . . . . 54 TRP CH2 . 10294 1
590 . 1 1 54 54 TRP CZ2 C 13 113.643 0.300 . 1 . . . . 54 TRP CZ2 . 10294 1
591 . 1 1 54 54 TRP CZ3 C 13 121.040 0.300 . 1 . . . . 54 TRP CZ3 . 10294 1
592 . 1 1 54 54 TRP N N 15 120.980 0.300 . 1 . . . . 54 TRP N . 10294 1
593 . 1 1 54 54 TRP NE1 N 15 128.499 0.300 . 1 . . . . 54 TRP NE1 . 10294 1
594 . 1 1 55 55 PHE H H 1 8.755 0.030 . 1 . . . . 55 PHE H . 10294 1
595 . 1 1 55 55 PHE HA H 1 3.626 0.030 . 1 . . . . 55 PHE HA . 10294 1
596 . 1 1 55 55 PHE HB2 H 1 3.400 0.030 . 2 . . . . 55 PHE HB2 . 10294 1
597 . 1 1 55 55 PHE HB3 H 1 3.215 0.030 . 2 . . . . 55 PHE HB3 . 10294 1
598 . 1 1 55 55 PHE HD1 H 1 7.799 0.030 . 1 . . . . 55 PHE HD1 . 10294 1
599 . 1 1 55 55 PHE HD2 H 1 7.799 0.030 . 1 . . . . 55 PHE HD2 . 10294 1
600 . 1 1 55 55 PHE HE1 H 1 7.629 0.030 . 1 . . . . 55 PHE HE1 . 10294 1
601 . 1 1 55 55 PHE HE2 H 1 7.629 0.030 . 1 . . . . 55 PHE HE2 . 10294 1
602 . 1 1 55 55 PHE HZ H 1 7.455 0.030 . 1 . . . . 55 PHE HZ . 10294 1
603 . 1 1 55 55 PHE C C 13 177.937 0.300 . 1 . . . . 55 PHE C . 10294 1
604 . 1 1 55 55 PHE CA C 13 64.064 0.300 . 1 . . . . 55 PHE CA . 10294 1
605 . 1 1 55 55 PHE CB C 13 39.579 0.300 . 1 . . . . 55 PHE CB . 10294 1
606 . 1 1 55 55 PHE CD1 C 13 132.046 0.300 . 1 . . . . 55 PHE CD1 . 10294 1
607 . 1 1 55 55 PHE CD2 C 13 132.046 0.300 . 1 . . . . 55 PHE CD2 . 10294 1
608 . 1 1 55 55 PHE CE1 C 13 132.068 0.300 . 1 . . . . 55 PHE CE1 . 10294 1
609 . 1 1 55 55 PHE CE2 C 13 132.068 0.300 . 1 . . . . 55 PHE CE2 . 10294 1
610 . 1 1 55 55 PHE CZ C 13 130.212 0.300 . 1 . . . . 55 PHE CZ . 10294 1
611 . 1 1 55 55 PHE N N 15 118.177 0.300 . 1 . . . . 55 PHE N . 10294 1
612 . 1 1 56 56 LYS H H 1 8.169 0.030 . 1 . . . . 56 LYS H . 10294 1
613 . 1 1 56 56 LYS HA H 1 3.914 0.030 . 1 . . . . 56 LYS HA . 10294 1
614 . 1 1 56 56 LYS HB2 H 1 1.989 0.030 . 1 . . . . 56 LYS HB2 . 10294 1
615 . 1 1 56 56 LYS HB3 H 1 1.989 0.030 . 1 . . . . 56 LYS HB3 . 10294 1
616 . 1 1 56 56 LYS HD2 H 1 1.718 0.030 . 2 . . . . 56 LYS HD2 . 10294 1
617 . 1 1 56 56 LYS HE2 H 1 3.004 0.030 . 2 . . . . 56 LYS HE2 . 10294 1
618 . 1 1 56 56 LYS HG2 H 1 1.409 0.030 . 2 . . . . 56 LYS HG2 . 10294 1
619 . 1 1 56 56 LYS HG3 H 1 1.665 0.030 . 2 . . . . 56 LYS HG3 . 10294 1
620 . 1 1 56 56 LYS C C 13 179.929 0.300 . 1 . . . . 56 LYS C . 10294 1
621 . 1 1 56 56 LYS CA C 13 60.488 0.300 . 1 . . . . 56 LYS CA . 10294 1
622 . 1 1 56 56 LYS CB C 13 32.243 0.300 . 1 . . . . 56 LYS CB . 10294 1
623 . 1 1 56 56 LYS CD C 13 29.776 0.300 . 1 . . . . 56 LYS CD . 10294 1
624 . 1 1 56 56 LYS CE C 13 42.132 0.300 . 1 . . . . 56 LYS CE . 10294 1
625 . 1 1 56 56 LYS CG C 13 25.145 0.300 . 1 . . . . 56 LYS CG . 10294 1
626 . 1 1 56 56 LYS N N 15 119.649 0.300 . 1 . . . . 56 LYS N . 10294 1
627 . 1 1 57 57 ASN H H 1 8.238 0.030 . 1 . . . . 57 ASN H . 10294 1
628 . 1 1 57 57 ASN HA H 1 4.345 0.030 . 1 . . . . 57 ASN HA . 10294 1
629 . 1 1 57 57 ASN HB2 H 1 2.501 0.030 . 2 . . . . 57 ASN HB2 . 10294 1
630 . 1 1 57 57 ASN HB3 H 1 2.678 0.030 . 2 . . . . 57 ASN HB3 . 10294 1
631 . 1 1 57 57 ASN HD21 H 1 7.542 0.030 . 2 . . . . 57 ASN HD21 . 10294 1
632 . 1 1 57 57 ASN HD22 H 1 6.932 0.030 . 2 . . . . 57 ASN HD22 . 10294 1
633 . 1 1 57 57 ASN C C 13 177.379 0.300 . 1 . . . . 57 ASN C . 10294 1
634 . 1 1 57 57 ASN CA C 13 55.515 0.300 . 1 . . . . 57 ASN CA . 10294 1
635 . 1 1 57 57 ASN CB C 13 37.887 0.300 . 1 . . . . 57 ASN CB . 10294 1
636 . 1 1 57 57 ASN N N 15 118.635 0.300 . 1 . . . . 57 ASN N . 10294 1
637 . 1 1 57 57 ASN ND2 N 15 113.181 0.300 . 1 . . . . 57 ASN ND2 . 10294 1
638 . 1 1 58 58 ARG H H 1 8.347 0.030 . 1 . . . . 58 ARG H . 10294 1
639 . 1 1 58 58 ARG HA H 1 3.419 0.030 . 1 . . . . 58 ARG HA . 10294 1
640 . 1 1 58 58 ARG HB2 H 1 0.657 0.030 . 2 . . . . 58 ARG HB2 . 10294 1
641 . 1 1 58 58 ARG HB3 H 1 -0.383 0.030 . 2 . . . . 58 ARG HB3 . 10294 1
642 . 1 1 58 58 ARG HD2 H 1 2.401 0.030 . 2 . . . . 58 ARG HD2 . 10294 1
643 . 1 1 58 58 ARG HD3 H 1 1.944 0.030 . 2 . . . . 58 ARG HD3 . 10294 1
644 . 1 1 58 58 ARG HG2 H 1 -0.323 0.030 . 2 . . . . 58 ARG HG2 . 10294 1
645 . 1 1 58 58 ARG HG3 H 1 -0.410 0.030 . 2 . . . . 58 ARG HG3 . 10294 1
646 . 1 1 58 58 ARG C C 13 179.637 0.300 . 1 . . . . 58 ARG C . 10294 1
647 . 1 1 58 58 ARG CA C 13 56.820 0.300 . 1 . . . . 58 ARG CA . 10294 1
648 . 1 1 58 58 ARG CB C 13 28.359 0.300 . 1 . . . . 58 ARG CB . 10294 1
649 . 1 1 58 58 ARG CD C 13 40.841 0.300 . 1 . . . . 58 ARG CD . 10294 1
650 . 1 1 58 58 ARG CG C 13 24.362 0.300 . 1 . . . . 58 ARG CG . 10294 1
651 . 1 1 58 58 ARG N N 15 123.884 0.300 . 1 . . . . 58 ARG N . 10294 1
652 . 1 1 59 59 ARG H H 1 8.184 0.030 . 1 . . . . 59 ARG H . 10294 1
653 . 1 1 59 59 ARG HA H 1 4.124 0.030 . 1 . . . . 59 ARG HA . 10294 1
654 . 1 1 59 59 ARG HB2 H 1 2.146 0.030 . 2 . . . . 59 ARG HB2 . 10294 1
655 . 1 1 59 59 ARG HB3 H 1 1.812 0.030 . 2 . . . . 59 ARG HB3 . 10294 1
656 . 1 1 59 59 ARG HD2 H 1 2.795 0.030 . 2 . . . . 59 ARG HD2 . 10294 1
657 . 1 1 59 59 ARG HG2 H 1 2.321 0.030 . 2 . . . . 59 ARG HG2 . 10294 1
658 . 1 1 59 59 ARG HG3 H 1 1.431 0.030 . 2 . . . . 59 ARG HG3 . 10294 1
659 . 1 1 59 59 ARG C C 13 178.836 0.300 . 1 . . . . 59 ARG C . 10294 1
660 . 1 1 59 59 ARG CA C 13 60.478 0.300 . 1 . . . . 59 ARG CA . 10294 1
661 . 1 1 59 59 ARG CB C 13 31.667 0.300 . 1 . . . . 59 ARG CB . 10294 1
662 . 1 1 59 59 ARG CD C 13 43.753 0.300 . 1 . . . . 59 ARG CD . 10294 1
663 . 1 1 59 59 ARG CG C 13 30.438 0.300 . 1 . . . . 59 ARG CG . 10294 1
664 . 1 1 59 59 ARG N N 15 117.828 0.300 . 1 . . . . 59 ARG N . 10294 1
665 . 1 1 60 60 ALA H H 1 7.407 0.030 . 1 . . . . 60 ALA H . 10294 1
666 . 1 1 60 60 ALA HA H 1 4.183 0.030 . 1 . . . . 60 ALA HA . 10294 1
667 . 1 1 60 60 ALA HB1 H 1 1.508 0.030 . 1 . . . . 60 ALA HB . 10294 1
668 . 1 1 60 60 ALA HB2 H 1 1.508 0.030 . 1 . . . . 60 ALA HB . 10294 1
669 . 1 1 60 60 ALA HB3 H 1 1.508 0.030 . 1 . . . . 60 ALA HB . 10294 1
670 . 1 1 60 60 ALA C C 13 179.370 0.300 . 1 . . . . 60 ALA C . 10294 1
671 . 1 1 60 60 ALA CA C 13 54.509 0.300 . 1 . . . . 60 ALA CA . 10294 1
672 . 1 1 60 60 ALA CB C 13 18.207 0.300 . 1 . . . . 60 ALA CB . 10294 1
673 . 1 1 60 60 ALA N N 15 121.238 0.300 . 1 . . . . 60 ALA N . 10294 1
674 . 1 1 61 61 LYS H H 1 7.564 0.030 . 1 . . . . 61 LYS H . 10294 1
675 . 1 1 61 61 LYS HA H 1 4.143 0.030 . 1 . . . . 61 LYS HA . 10294 1
676 . 1 1 61 61 LYS HB2 H 1 1.841 0.030 . 2 . . . . 61 LYS HB2 . 10294 1
677 . 1 1 61 61 LYS HB3 H 1 1.751 0.030 . 2 . . . . 61 LYS HB3 . 10294 1
678 . 1 1 61 61 LYS HD2 H 1 1.532 0.030 . 1 . . . . 61 LYS HD2 . 10294 1
679 . 1 1 61 61 LYS HD3 H 1 1.532 0.030 . 1 . . . . 61 LYS HD3 . 10294 1
680 . 1 1 61 61 LYS HE2 H 1 2.858 0.030 . 1 . . . . 61 LYS HE2 . 10294 1
681 . 1 1 61 61 LYS HE3 H 1 2.858 0.030 . 1 . . . . 61 LYS HE3 . 10294 1
682 . 1 1 61 61 LYS HG2 H 1 1.443 0.030 . 2 . . . . 61 LYS HG2 . 10294 1
683 . 1 1 61 61 LYS HG3 H 1 1.366 0.030 . 2 . . . . 61 LYS HG3 . 10294 1
684 . 1 1 61 61 LYS C C 13 177.767 0.300 . 1 . . . . 61 LYS C . 10294 1
685 . 1 1 61 61 LYS CA C 13 57.671 0.300 . 1 . . . . 61 LYS CA . 10294 1
686 . 1 1 61 61 LYS CB C 13 32.490 0.300 . 1 . . . . 61 LYS CB . 10294 1
687 . 1 1 61 61 LYS CD C 13 29.054 0.300 . 1 . . . . 61 LYS CD . 10294 1
688 . 1 1 61 61 LYS CE C 13 42.062 0.300 . 1 . . . . 61 LYS CE . 10294 1
689 . 1 1 61 61 LYS CG C 13 24.814 0.300 . 1 . . . . 61 LYS CG . 10294 1
690 . 1 1 61 61 LYS N N 15 118.322 0.300 . 1 . . . . 61 LYS N . 10294 1
691 . 1 1 62 62 CYS H H 1 7.725 0.030 . 1 . . . . 62 CYS H . 10294 1
692 . 1 1 62 62 CYS HA H 1 4.401 0.030 . 1 . . . . 62 CYS HA . 10294 1
693 . 1 1 62 62 CYS HB2 H 1 3.068 0.030 . 1 . . . . 62 CYS HB2 . 10294 1
694 . 1 1 62 62 CYS HB3 H 1 3.068 0.030 . 1 . . . . 62 CYS HB3 . 10294 1
695 . 1 1 62 62 CYS C C 13 175.752 0.300 . 1 . . . . 62 CYS C . 10294 1
696 . 1 1 62 62 CYS CA C 13 60.540 0.300 . 1 . . . . 62 CYS CA . 10294 1
697 . 1 1 62 62 CYS CB C 13 27.654 0.300 . 1 . . . . 62 CYS CB . 10294 1
698 . 1 1 62 62 CYS N N 15 117.981 0.300 . 1 . . . . 62 CYS N . 10294 1
699 . 1 1 63 63 ARG H H 1 8.044 0.030 . 1 . . . . 63 ARG H . 10294 1
700 . 1 1 63 63 ARG HA H 1 4.273 0.030 . 1 . . . . 63 ARG HA . 10294 1
701 . 1 1 63 63 ARG HB2 H 1 1.932 0.030 . 2 . . . . 63 ARG HB2 . 10294 1
702 . 1 1 63 63 ARG HD2 H 1 3.249 0.030 . 2 . . . . 63 ARG HD2 . 10294 1
703 . 1 1 63 63 ARG HG2 H 1 1.743 0.030 . 2 . . . . 63 ARG HG2 . 10294 1
704 . 1 1 63 63 ARG HG3 H 1 1.654 0.030 . 2 . . . . 63 ARG HG3 . 10294 1
705 . 1 1 63 63 ARG C C 13 177.233 0.300 . 1 . . . . 63 ARG C . 10294 1
706 . 1 1 63 63 ARG CA C 13 57.631 0.300 . 1 . . . . 63 ARG CA . 10294 1
707 . 1 1 63 63 ARG CB C 13 30.347 0.300 . 1 . . . . 63 ARG CB . 10294 1
708 . 1 1 63 63 ARG CD C 13 43.419 0.300 . 1 . . . . 63 ARG CD . 10294 1
709 . 1 1 63 63 ARG CG C 13 27.382 0.300 . 1 . . . . 63 ARG CG . 10294 1
710 . 1 1 63 63 ARG N N 15 121.313 0.300 . 1 . . . . 63 ARG N . 10294 1
711 . 1 1 64 64 GLN H H 1 8.217 0.030 . 1 . . . . 64 GLN H . 10294 1
712 . 1 1 64 64 GLN HA H 1 4.262 0.030 . 1 . . . . 64 GLN HA . 10294 1
713 . 1 1 64 64 GLN HB2 H 1 2.115 0.030 . 2 . . . . 64 GLN HB2 . 10294 1
714 . 1 1 64 64 GLN HB3 H 1 2.075 0.030 . 2 . . . . 64 GLN HB3 . 10294 1
715 . 1 1 64 64 GLN HE21 H 1 6.861 0.030 . 2 . . . . 64 GLN HE21 . 10294 1
716 . 1 1 64 64 GLN HE22 H 1 7.536 0.030 . 2 . . . . 64 GLN HE22 . 10294 1
717 . 1 1 64 64 GLN HG2 H 1 2.436 0.030 . 2 . . . . 64 GLN HG2 . 10294 1
718 . 1 1 64 64 GLN C C 13 176.942 0.300 . 1 . . . . 64 GLN C . 10294 1
719 . 1 1 64 64 GLN CA C 13 57.172 0.300 . 1 . . . . 64 GLN CA . 10294 1
720 . 1 1 64 64 GLN CB C 13 29.129 0.300 . 1 . . . . 64 GLN CB . 10294 1
721 . 1 1 64 64 GLN CG C 13 33.918 0.300 . 1 . . . . 64 GLN CG . 10294 1
722 . 1 1 64 64 GLN N N 15 120.369 0.300 . 1 . . . . 64 GLN N . 10294 1
723 . 1 1 64 64 GLN NE2 N 15 112.296 0.300 . 1 . . . . 64 GLN NE2 . 10294 1
724 . 1 1 71 71 ASN CB C 13 37.967 0.300 . 1 . . . . 71 ASN CB . 10294 1
725 . 1 1 71 71 ASN ND2 N 15 112.927 0.300 . 1 . . . . 71 ASN ND2 . 10294 1
726 . 1 1 72 72 GLY HA2 H 1 3.984 0.030 . 1 . . . . 72 GLY HA2 . 10294 1
727 . 1 1 72 72 GLY HA3 H 1 3.984 0.030 . 1 . . . . 72 GLY HA3 . 10294 1
728 . 1 1 72 72 GLY C C 13 174.877 0.300 . 1 . . . . 72 GLY C . 10294 1
729 . 1 1 72 72 GLY CA C 13 45.604 0.300 . 1 . . . . 72 GLY CA . 10294 1
730 . 1 1 73 73 GLY H H 1 8.288 0.030 . 1 . . . . 73 GLY H . 10294 1
731 . 1 1 73 73 GLY HA2 H 1 3.986 0.030 . 1 . . . . 73 GLY HA2 . 10294 1
732 . 1 1 73 73 GLY HA3 H 1 3.986 0.030 . 1 . . . . 73 GLY HA3 . 10294 1
733 . 1 1 73 73 GLY C C 13 174.319 0.300 . 1 . . . . 73 GLY C . 10294 1
734 . 1 1 73 73 GLY CA C 13 45.322 0.300 . 1 . . . . 73 GLY CA . 10294 1
735 . 1 1 73 73 GLY N N 15 108.597 0.300 . 1 . . . . 73 GLY N . 10294 1
736 . 1 1 74 74 GLN H H 1 8.281 0.030 . 1 . . . . 74 GLN H . 10294 1
737 . 1 1 74 74 GLN HA H 1 4.413 0.030 . 1 . . . . 74 GLN HA . 10294 1
738 . 1 1 74 74 GLN HB2 H 1 2.013 0.030 . 2 . . . . 74 GLN HB2 . 10294 1
739 . 1 1 74 74 GLN HB3 H 1 2.173 0.030 . 2 . . . . 74 GLN HB3 . 10294 1
740 . 1 1 74 74 GLN HE21 H 1 7.528 0.030 . 2 . . . . 74 GLN HE21 . 10294 1
741 . 1 1 74 74 GLN HE22 H 1 6.855 0.030 . 2 . . . . 74 GLN HE22 . 10294 1
742 . 1 1 74 74 GLN HG2 H 1 2.393 0.030 . 2 . . . . 74 GLN HG2 . 10294 1
743 . 1 1 74 74 GLN C C 13 176.262 0.300 . 1 . . . . 74 GLN C . 10294 1
744 . 1 1 74 74 GLN CA C 13 55.973 0.300 . 1 . . . . 74 GLN CA . 10294 1
745 . 1 1 74 74 GLN CB C 13 29.605 0.300 . 1 . . . . 74 GLN CB . 10294 1
746 . 1 1 74 74 GLN CG C 13 33.851 0.300 . 1 . . . . 74 GLN CG . 10294 1
747 . 1 1 74 74 GLN N N 15 119.866 0.300 . 1 . . . . 74 GLN N . 10294 1
748 . 1 1 74 74 GLN NE2 N 15 111.834 0.300 . 1 . . . . 74 GLN NE2 . 10294 1
749 . 1 1 75 75 SER H H 1 8.432 0.030 . 1 . . . . 75 SER H . 10294 1
750 . 1 1 75 75 SER HA H 1 4.524 0.030 . 1 . . . . 75 SER HA . 10294 1
751 . 1 1 75 75 SER HB2 H 1 3.891 0.030 . 1 . . . . 75 SER HB2 . 10294 1
752 . 1 1 75 75 SER HB3 H 1 3.891 0.030 . 1 . . . . 75 SER HB3 . 10294 1
753 . 1 1 75 75 SER C C 13 174.586 0.300 . 1 . . . . 75 SER C . 10294 1
754 . 1 1 75 75 SER CA C 13 58.513 0.300 . 1 . . . . 75 SER CA . 10294 1
755 . 1 1 75 75 SER CB C 13 64.061 0.300 . 1 . . . . 75 SER CB . 10294 1
756 . 1 1 75 75 SER N N 15 117.073 0.300 . 1 . . . . 75 SER N . 10294 1
757 . 1 1 76 76 GLY H H 1 8.244 0.030 . 1 . . . . 76 GLY H . 10294 1
758 . 1 1 76 76 GLY HA2 H 1 4.171 0.030 . 2 . . . . 76 GLY HA2 . 10294 1
759 . 1 1 76 76 GLY HA3 H 1 4.102 0.030 . 2 . . . . 76 GLY HA3 . 10294 1
760 . 1 1 76 76 GLY C C 13 171.842 0.300 . 1 . . . . 76 GLY C . 10294 1
761 . 1 1 76 76 GLY CA C 13 44.617 0.300 . 1 . . . . 76 GLY CA . 10294 1
762 . 1 1 76 76 GLY N N 15 110.727 0.300 . 1 . . . . 76 GLY N . 10294 1
763 . 1 1 77 77 PRO HA H 1 4.494 0.030 . 1 . . . . 77 PRO HA . 10294 1
764 . 1 1 77 77 PRO HB2 H 1 1.982 0.030 . 2 . . . . 77 PRO HB2 . 10294 1
765 . 1 1 77 77 PRO HB3 H 1 2.303 0.030 . 2 . . . . 77 PRO HB3 . 10294 1
766 . 1 1 77 77 PRO HD2 H 1 3.634 0.030 . 1 . . . . 77 PRO HD2 . 10294 1
767 . 1 1 77 77 PRO HD3 H 1 3.634 0.030 . 1 . . . . 77 PRO HD3 . 10294 1
768 . 1 1 77 77 PRO HG2 H 1 2.024 0.030 . 1 . . . . 77 PRO HG2 . 10294 1
769 . 1 1 77 77 PRO HG3 H 1 2.024 0.030 . 1 . . . . 77 PRO HG3 . 10294 1
770 . 1 1 77 77 PRO C C 13 177.476 0.300 . 1 . . . . 77 PRO C . 10294 1
771 . 1 1 77 77 PRO CA C 13 63.380 0.300 . 1 . . . . 77 PRO CA . 10294 1
772 . 1 1 77 77 PRO CB C 13 32.231 0.300 . 1 . . . . 77 PRO CB . 10294 1
773 . 1 1 77 77 PRO CD C 13 49.818 0.300 . 1 . . . . 77 PRO CD . 10294 1
774 . 1 1 77 77 PRO CG C 13 27.180 0.300 . 1 . . . . 77 PRO CG . 10294 1
775 . 1 1 78 78 SER H H 1 8.526 0.030 . 1 . . . . 78 SER H . 10294 1
776 . 1 1 78 78 SER HA H 1 4.514 0.030 . 1 . . . . 78 SER HA . 10294 1
777 . 1 1 78 78 SER HB2 H 1 3.913 0.030 . 1 . . . . 78 SER HB2 . 10294 1
778 . 1 1 78 78 SER HB3 H 1 3.913 0.030 . 1 . . . . 78 SER HB3 . 10294 1
779 . 1 1 78 78 SER C C 13 174.756 0.300 . 1 . . . . 78 SER C . 10294 1
780 . 1 1 78 78 SER CA C 13 58.513 0.300 . 1 . . . . 78 SER CA . 10294 1
781 . 1 1 78 78 SER CB C 13 63.896 0.300 . 1 . . . . 78 SER CB . 10294 1
782 . 1 1 78 78 SER N N 15 116.438 0.300 . 1 . . . . 78 SER N . 10294 1
783 . 1 1 79 79 SER H H 1 8.329 0.030 . 1 . . . . 79 SER H . 10294 1
784 . 1 1 79 79 SER HA H 1 4.502 0.030 . 1 . . . . 79 SER HA . 10294 1
785 . 1 1 79 79 SER HB2 H 1 3.921 0.030 . 1 . . . . 79 SER HB2 . 10294 1
786 . 1 1 79 79 SER HB3 H 1 3.921 0.030 . 1 . . . . 79 SER HB3 . 10294 1
787 . 1 1 79 79 SER C C 13 173.954 0.300 . 1 . . . . 79 SER C . 10294 1
788 . 1 1 79 79 SER CA C 13 58.477 0.300 . 1 . . . . 79 SER CA . 10294 1
789 . 1 1 79 79 SER CB C 13 64.019 0.300 . 1 . . . . 79 SER CB . 10294 1
790 . 1 1 79 79 SER N N 15 117.859 0.300 . 1 . . . . 79 SER N . 10294 1
791 . 1 1 80 80 GLY H H 1 8.053 0.030 . 1 . . . . 80 GLY H . 10294 1
792 . 1 1 80 80 GLY C C 13 179.079 0.300 . 1 . . . . 80 GLY C . 10294 1
793 . 1 1 80 80 GLY CA C 13 46.274 0.300 . 1 . . . . 80 GLY CA . 10294 1
794 . 1 1 80 80 GLY N N 15 116.849 0.300 . 1 . . . . 80 GLY N . 10294 1
stop_
save_