data_15678
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15678
_Entry.Title
;
Chemical Shift assignment of SeR13 from Staphylococcus Epidermidis, North East Structural Genomics Consortium Target SeR13
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2008-03-05
_Entry.Accession_date 2008-03-05
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.8.112
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details 'The oligomeric states of the SeR13 were verified by pulsed-field-gradient diffusion, dynamic light scattering, sedimentation equilibrium, and concentration dependent studies. The results indicated that the SeR13 self-associates weakly at protein concentration below 1 mM. Using the residual dipolar couplings as well as chemical shift perturbations on dilution, we constructed dimeric models for SeR13. Possible inter-subunit NOEs were identified based on these models. In cases where corresponding NOEs were observed, they were eliminated as constraints and the protein structure recalculated. The absence of structural variation and the failure to observed other predicted inter-subunit NOEs validated use of all NOEs as intra-subunit constraints.'
_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 Hsiau-Wei Lee . . . 15678
2 Greg Wylie . . . 15678
3 Sonal Bansal . . . 15678
4 Xu Wang . . . 15678
5 Ritu Shastry . . . 15678
6 Mei Jiang . . . 15678
7 Kellie Cunningham . . . 15678
8 Li-Chung Ma . . . 15678
9 Rong Xiao . . . 15678
10 Jinfeng Liu . . . 15678
11 Michael Baran . C. . 15678
12 GVT Swapna . . . 15678
13 Thomas Acton . B. . 15678
14 Burkhard Rost . . . 15678
15 Gaetano Montelione . T. . 15678
16 James Prestegard . H. . 15678
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
. . 'The University of Georgia' . 15678
1 . 'Northeast Structural Genomics Consortium' . 15678
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 15678
RDCs 2 15678
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 345 15678
'15N chemical shifts' 85 15678
'1H chemical shifts' 494 15678
'residual dipolar couplings' 106 15678
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
4 . . 2011-05-19 2008-03-05 update BMRB 'update entry citation' 15678
3 . . 2010-06-02 2008-03-05 update BMRB 'edit assembly name' 15678
2 . . 2009-02-05 2008-03-05 update BMRB 'Update the RDC table' 15678
1 . . 2008-03-17 2008-03-05 original author 'original release' 15678
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2K1H 'BMRB Entry Tracking System' 15678
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 15678
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 20589905
_Citation.Full_citation .
_Citation.Title 'Three-dimensional structure of the weakly associated protein homodimer SeR13 using RDCs and paramagnetic surface mapping.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Protein Sci.'
_Citation.Journal_name_full 'Protein science : a publication of the Protein Society'
_Citation.Journal_volume 19
_Citation.Journal_issue 9
_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 1673
_Citation.Page_last 1685
_Citation.Year 2010
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Hsiau-Wei Lee . . . 15678 1
2 Greg Wylie . . . 15678 1
3 Sonal Bansal . . . 15678 1
4 Xu Wang . . . 15678 1
5 Adam Barb . W. . 15678 1
6 Megan Macnaughtan . A. . 15678 1
7 Asli Ertekin . . . 15678 1
8 Gaetano Montelione . T. . 15678 1
9 James Prestegard . H. . 15678 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 15678
_Assembly.ID 1
_Assembly.Name SeR13
_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 9.82
_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 SeR13 1 $SeR13 A . yes native no no . . . 15678 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_SeR13
_Entity.Sf_category entity
_Entity.Sf_framecode SeR13
_Entity.Entry_ID 15678
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name SeR13
_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
;
MEIIAISETPNHNTMKVSLS
EPRQDNSFTTYTAAQEGQPE
FINRLFEIEGVKSIFYVLDF
ISIDKEDNANWNELLPQIEN
TFAKSNLEHHHHHH
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details 'LEHHHHHH are at the C-terminal as part of His-Tag'
_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 94
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 10138.311
_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 2K1H . "Solution Nmr Structure Of Ser13 From Staphylococcus Epidermidis. Northeast Structural Genomics Consortium Target Ser13" . . . . . 100.00 94 100.00 100.00 2.37e-61 . . . . 15678 1
2 no EMBL CDM13704 . "hypothetical protein SEB_01149 [Staphylococcus epidermidis PM221]" . . . . . 91.49 86 98.84 98.84 1.09e-53 . . . . 15678 1
3 no GB AAO04721 . "conserved hypothetical protein [Staphylococcus epidermidis ATCC 12228]" . . . . . 91.49 86 98.84 98.84 1.09e-53 . . . . 15678 1
4 no GB AAW54376 . "conserved hypothetical protein [Staphylococcus epidermidis RP62A]" . . . . . 91.49 86 98.84 98.84 1.09e-53 . . . . 15678 1
5 no GB AIR82327 . "hypothetical protein DP17_90 [Staphylococcus epidermidis]" . . . . . 91.49 86 98.84 98.84 1.09e-53 . . . . 15678 1
6 no GB AJP24693 . "scaffolding protein [Staphylococcus epidermidis]" . . . . . 91.49 86 98.84 98.84 1.09e-53 . . . . 15678 1
7 no GB EES36166 . "Scaffold protein Nfu/NifU N terminal domain protein [Staphylococcus epidermidis W23144]" . . . . . 91.49 86 98.84 98.84 1.09e-53 . . . . 15678 1
8 no REF NP_764679 . "hypothetical protein SE1124 [Staphylococcus epidermidis ATCC 12228]" . . . . . 91.49 86 98.84 98.84 1.09e-53 . . . . 15678 1
9 no REF WP_001831110 . "MULTISPECIES: hypothetical protein [Bacteria]" . . . . . 91.49 86 98.84 98.84 1.09e-53 . . . . 15678 1
10 no REF WP_002489988 . "hypothetical protein [Staphylococcus epidermidis]" . . . . . 91.49 86 97.67 97.67 1.13e-52 . . . . 15678 1
11 no REF WP_002493609 . "hypothetical protein [Staphylococcus epidermidis]" . . . . . 91.49 86 97.67 98.84 6.12e-53 . . . . 15678 1
12 no REF WP_047500344 . "scaffolding protein [Staphylococcus epidermidis]" . . . . . 91.49 86 97.67 97.67 4.97e-53 . . . . 15678 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . MET . 15678 1
2 . GLU . 15678 1
3 . ILE . 15678 1
4 . ILE . 15678 1
5 . ALA . 15678 1
6 . ILE . 15678 1
7 . SER . 15678 1
8 . GLU . 15678 1
9 . THR . 15678 1
10 . PRO . 15678 1
11 . ASN . 15678 1
12 . HIS . 15678 1
13 . ASN . 15678 1
14 . THR . 15678 1
15 . MET . 15678 1
16 . LYS . 15678 1
17 . VAL . 15678 1
18 . SER . 15678 1
19 . LEU . 15678 1
20 . SER . 15678 1
21 . GLU . 15678 1
22 . PRO . 15678 1
23 . ARG . 15678 1
24 . GLN . 15678 1
25 . ASP . 15678 1
26 . ASN . 15678 1
27 . SER . 15678 1
28 . PHE . 15678 1
29 . THR . 15678 1
30 . THR . 15678 1
31 . TYR . 15678 1
32 . THR . 15678 1
33 . ALA . 15678 1
34 . ALA . 15678 1
35 . GLN . 15678 1
36 . GLU . 15678 1
37 . GLY . 15678 1
38 . GLN . 15678 1
39 . PRO . 15678 1
40 . GLU . 15678 1
41 . PHE . 15678 1
42 . ILE . 15678 1
43 . ASN . 15678 1
44 . ARG . 15678 1
45 . LEU . 15678 1
46 . PHE . 15678 1
47 . GLU . 15678 1
48 . ILE . 15678 1
49 . GLU . 15678 1
50 . GLY . 15678 1
51 . VAL . 15678 1
52 . LYS . 15678 1
53 . SER . 15678 1
54 . ILE . 15678 1
55 . PHE . 15678 1
56 . TYR . 15678 1
57 . VAL . 15678 1
58 . LEU . 15678 1
59 . ASP . 15678 1
60 . PHE . 15678 1
61 . ILE . 15678 1
62 . SER . 15678 1
63 . ILE . 15678 1
64 . ASP . 15678 1
65 . LYS . 15678 1
66 . GLU . 15678 1
67 . ASP . 15678 1
68 . ASN . 15678 1
69 . ALA . 15678 1
70 . ASN . 15678 1
71 . TRP . 15678 1
72 . ASN . 15678 1
73 . GLU . 15678 1
74 . LEU . 15678 1
75 . LEU . 15678 1
76 . PRO . 15678 1
77 . GLN . 15678 1
78 . ILE . 15678 1
79 . GLU . 15678 1
80 . ASN . 15678 1
81 . THR . 15678 1
82 . PHE . 15678 1
83 . ALA . 15678 1
84 . LYS . 15678 1
85 . SER . 15678 1
86 . ASN . 15678 1
87 . LEU . 15678 1
88 . GLU . 15678 1
89 . HIS . 15678 1
90 . HIS . 15678 1
91 . HIS . 15678 1
92 . HIS . 15678 1
93 . HIS . 15678 1
94 . HIS . 15678 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 15678 1
. GLU 2 2 15678 1
. ILE 3 3 15678 1
. ILE 4 4 15678 1
. ALA 5 5 15678 1
. ILE 6 6 15678 1
. SER 7 7 15678 1
. GLU 8 8 15678 1
. THR 9 9 15678 1
. PRO 10 10 15678 1
. ASN 11 11 15678 1
. HIS 12 12 15678 1
. ASN 13 13 15678 1
. THR 14 14 15678 1
. MET 15 15 15678 1
. LYS 16 16 15678 1
. VAL 17 17 15678 1
. SER 18 18 15678 1
. LEU 19 19 15678 1
. SER 20 20 15678 1
. GLU 21 21 15678 1
. PRO 22 22 15678 1
. ARG 23 23 15678 1
. GLN 24 24 15678 1
. ASP 25 25 15678 1
. ASN 26 26 15678 1
. SER 27 27 15678 1
. PHE 28 28 15678 1
. THR 29 29 15678 1
. THR 30 30 15678 1
. TYR 31 31 15678 1
. THR 32 32 15678 1
. ALA 33 33 15678 1
. ALA 34 34 15678 1
. GLN 35 35 15678 1
. GLU 36 36 15678 1
. GLY 37 37 15678 1
. GLN 38 38 15678 1
. PRO 39 39 15678 1
. GLU 40 40 15678 1
. PHE 41 41 15678 1
. ILE 42 42 15678 1
. ASN 43 43 15678 1
. ARG 44 44 15678 1
. LEU 45 45 15678 1
. PHE 46 46 15678 1
. GLU 47 47 15678 1
. ILE 48 48 15678 1
. GLU 49 49 15678 1
. GLY 50 50 15678 1
. VAL 51 51 15678 1
. LYS 52 52 15678 1
. SER 53 53 15678 1
. ILE 54 54 15678 1
. PHE 55 55 15678 1
. TYR 56 56 15678 1
. VAL 57 57 15678 1
. LEU 58 58 15678 1
. ASP 59 59 15678 1
. PHE 60 60 15678 1
. ILE 61 61 15678 1
. SER 62 62 15678 1
. ILE 63 63 15678 1
. ASP 64 64 15678 1
. LYS 65 65 15678 1
. GLU 66 66 15678 1
. ASP 67 67 15678 1
. ASN 68 68 15678 1
. ALA 69 69 15678 1
. ASN 70 70 15678 1
. TRP 71 71 15678 1
. ASN 72 72 15678 1
. GLU 73 73 15678 1
. LEU 74 74 15678 1
. LEU 75 75 15678 1
. PRO 76 76 15678 1
. GLN 77 77 15678 1
. ILE 78 78 15678 1
. GLU 79 79 15678 1
. ASN 80 80 15678 1
. THR 81 81 15678 1
. PHE 82 82 15678 1
. ALA 83 83 15678 1
. LYS 84 84 15678 1
. SER 85 85 15678 1
. ASN 86 86 15678 1
. LEU 87 87 15678 1
. GLU 88 88 15678 1
. HIS 89 89 15678 1
. HIS 90 90 15678 1
. HIS 91 91 15678 1
. HIS 92 92 15678 1
. HIS 93 93 15678 1
. HIS 94 94 15678 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 15678
_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 $SeR13 . 1282 organism . 'Staphylococcus epidermidis' 'Staphylococcus epidermidis' . . Bacteria . Staphylococcus epidermidis 'ATCC 12228' . . . . . . . . . . . . . . . SE_1124 . . . . 15678 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 15678
_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 $SeR13 . 'recombinant technology' 'Staphylococcus epidermidis' . . . Staphylococcus epidermidis . . . . . . . . . . . . . . . . pET21 . . . . . . 15678 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 15678
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 SeR13 '[U-100% 13C; U-100% 15N]' . . 1 $SeR13 . . 1.07 . . mM . . . . 15678 1
2 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 15678 1
3 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15678 1
4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15678 1
5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15678 1
6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15678 1
stop_
save_
save_GEL_s
_Sample.Sf_category sample
_Sample.Sf_framecode GEL_s
_Sample.Entry_ID 15678
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 SeR13 '[U-100% 13C; U-100% 15N]' . . 1 $SeR13 . . 0.86 . . mM . . . . 15678 2
2 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 15678 2
3 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15678 2
4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15678 2
5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15678 2
6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15678 2
7 'Negative Charged Poly Acrylamide Compressed Gel' 'natural abundance' . . . . . . 7 . . % . . . . 15678 2
stop_
save_
save_Bicelle_s
_Sample.Sf_category sample
_Sample.Sf_framecode Bicelle_s
_Sample.Entry_ID 15678
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 SeR13 '[U-100% 13C; U-100% 15N]' . . 1 $SeR13 . . 0.60 . . mM . . . . 15678 3
2 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 15678 3
3 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15678 3
4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15678 3
5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15678 3
6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15678 3
7 'DMPS/DHPC Mixture' 'natural abundance' . . . . . . 7.5 . . % . . . . 15678 3
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 15678
_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' 100 . mM 15678 1
pH 6.5 . pH 15678 1
pressure 1 . atm 15678 1
temperature 298 . K 15678 1
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 15678
_Software.ID 1
_Software.Name CYANA
_Software.Version 2.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 15678 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 15678 1
stop_
save_
save_X-PLOR_NIH
_Software.Sf_category software
_Software.Sf_framecode X-PLOR_NIH
_Software.Entry_ID 15678
_Software.ID 2
_Software.Name 'X-PLOR NIH'
_Software.Version 2.18
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Schwieters, Kuszewski, Tjandra and Clore' . . 15678 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 15678 2
stop_
save_
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 15678
_Software.ID 3
_Software.Name SPARKY
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 15678 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 15678 3
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 15678
_Software.ID 4
_Software.Name NMRPipe
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15678 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 15678 4
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 15678
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 15678
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Varian INOVA . 600 . . . 15678 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 15678
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15678 1
2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15678 1
3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15678 1
4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15678 1
5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15678 1
6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15678 1
7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15678 1
8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15678 1
9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15678 1
10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15678 1
11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15678 1
12 '2D 1H-15N HSQC-TROSY' no . . . . . . . . . . 2 $GEL_s anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15678 1
13 '2D 1H-15N HSQC-TROSY' no . . . . . . . . . . 3 $Bicelle_s anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15678 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 15678
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15678 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15678 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15678 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15678
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 15678 1
3 '3D CBCA(CO)NH' . . . 15678 1
6 '3D HNCACB' . . . 15678 1
8 '3D HCCH-TOCSY' . . . 15678 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
3 $SPARKY . . 15678 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET HA H 1 3.833 . . 1 . . . . 1 M HA . 15678 1
2 . 1 1 1 1 MET C C 13 171.118 . . 1 . . . . 1 M C . 15678 1
3 . 1 1 1 1 MET CA C 13 55.046 . . 1 . . . . 1 M CA . 15678 1
4 . 1 1 1 1 MET CB C 13 33.052 . . 1 . . . . 1 M CB . 15678 1
5 . 1 1 1 1 MET CG C 13 30.962 . . 1 . . . . 1 M CG . 15678 1
6 . 1 1 2 2 GLU H H 1 8.600 . . 1 . . . . 2 E H . 15678 1
7 . 1 1 2 2 GLU HA H 1 4.690 . . 1 . . . . 2 E HA . 15678 1
8 . 1 1 2 2 GLU HB2 H 1 1.696 . . 2 . . . . 2 E QB . 15678 1
9 . 1 1 2 2 GLU HB3 H 1 1.696 . . 2 . . . . 2 E QB . 15678 1
10 . 1 1 2 2 GLU C C 13 174.681 . . 1 . . . . 2 E C . 15678 1
11 . 1 1 2 2 GLU CA C 13 54.499 . . 1 . . . . 2 E CA . 15678 1
12 . 1 1 2 2 GLU CB C 13 32.932 . . 1 . . . . 2 E CB . 15678 1
13 . 1 1 2 2 GLU CG C 13 35.910 . . 1 . . . . 2 E CG . 15678 1
14 . 1 1 2 2 GLU N N 15 123.472 . . 1 . . . . 2 E N . 15678 1
15 . 1 1 3 3 ILE H H 1 8.423 . . 1 . . . . 3 I H . 15678 1
16 . 1 1 3 3 ILE HA H 1 3.734 . . 1 . . . . 3 I HA . 15678 1
17 . 1 1 3 3 ILE HB H 1 1.380 . . 1 . . . . 3 I HB . 15678 1
18 . 1 1 3 3 ILE HD11 H 1 0.523 . . 1 . . . . 3 I QD1 . 15678 1
19 . 1 1 3 3 ILE HD12 H 1 0.523 . . 1 . . . . 3 I QD1 . 15678 1
20 . 1 1 3 3 ILE HD13 H 1 0.523 . . 1 . . . . 3 I QD1 . 15678 1
21 . 1 1 3 3 ILE HG12 H 1 0.683 . . 2 . . . . 3 I HG12 . 15678 1
22 . 1 1 3 3 ILE HG13 H 1 -0.066 . . 2 . . . . 3 I HG13 . 15678 1
23 . 1 1 3 3 ILE HG21 H 1 0.476 . . 1 . . . . 3 I QG2 . 15678 1
24 . 1 1 3 3 ILE HG22 H 1 0.476 . . 1 . . . . 3 I QG2 . 15678 1
25 . 1 1 3 3 ILE HG23 H 1 0.476 . . 1 . . . . 3 I QG2 . 15678 1
26 . 1 1 3 3 ILE C C 13 176.653 . . 1 . . . . 3 I C . 15678 1
27 . 1 1 3 3 ILE CA C 13 61.865 . . 1 . . . . 3 I CA . 15678 1
28 . 1 1 3 3 ILE CB C 13 38.915 . . 1 . . . . 3 I CB . 15678 1
29 . 1 1 3 3 ILE CD1 C 13 14.043 . . 1 . . . . 3 I CD1 . 15678 1
30 . 1 1 3 3 ILE CG1 C 13 26.739 . . 1 . . . . 3 I CG1 . 15678 1
31 . 1 1 3 3 ILE CG2 C 13 17.045 . . 1 . . . . 3 I CG2 . 15678 1
32 . 1 1 3 3 ILE N N 15 120.155 . . 1 . . . . 3 I N . 15678 1
33 . 1 1 4 4 ILE H H 1 8.771 . . 1 . . . . 4 I H . 15678 1
34 . 1 1 4 4 ILE HA H 1 4.168 . . 1 . . . . 4 I HA . 15678 1
35 . 1 1 4 4 ILE HB H 1 1.599 . . 1 . . . . 4 I HB . 15678 1
36 . 1 1 4 4 ILE HG12 H 1 0.797 . . 2 . . . . 4 I HG12 . 15678 1
37 . 1 1 4 4 ILE HG21 H 1 0.692 . . 1 . . . . 4 I QG2 . 15678 1
38 . 1 1 4 4 ILE HG22 H 1 0.692 . . 1 . . . . 4 I QG2 . 15678 1
39 . 1 1 4 4 ILE HG23 H 1 0.692 . . 1 . . . . 4 I QG2 . 15678 1
40 . 1 1 4 4 ILE C C 13 175.770 . . 1 . . . . 4 I C . 15678 1
41 . 1 1 4 4 ILE CA C 13 60.367 . . 1 . . . . 4 I CA . 15678 1
42 . 1 1 4 4 ILE CB C 13 37.573 . . 1 . . . . 4 I CB . 15678 1
43 . 1 1 4 4 ILE CG1 C 13 26.233 . . 1 . . . . 4 I CG1 . 15678 1
44 . 1 1 4 4 ILE CG2 C 13 16.740 . . 1 . . . . 4 I CG2 . 15678 1
45 . 1 1 4 4 ILE N N 15 125.095 . . 1 . . . . 4 I N . 15678 1
46 . 1 1 5 5 ALA H H 1 7.345 . . 1 . . . . 5 A H . 15678 1
47 . 1 1 5 5 ALA HA H 1 4.399 . . 1 . . . . 5 A HA . 15678 1
48 . 1 1 5 5 ALA HB1 H 1 1.262 . . 1 . . . . 5 A QB . 15678 1
49 . 1 1 5 5 ALA HB2 H 1 1.262 . . 1 . . . . 5 A QB . 15678 1
50 . 1 1 5 5 ALA HB3 H 1 1.262 . . 1 . . . . 5 A QB . 15678 1
51 . 1 1 5 5 ALA C C 13 174.653 . . 1 . . . . 5 A C . 15678 1
52 . 1 1 5 5 ALA CA C 13 52.266 . . 1 . . . . 5 A CA . 15678 1
53 . 1 1 5 5 ALA CB C 13 21.840 . . 1 . . . . 5 A CB . 15678 1
54 . 1 1 5 5 ALA N N 15 120.560 . . 1 . . . . 5 A N . 15678 1
55 . 1 1 6 6 ILE H H 1 8.334 . . 1 . . . . 6 I H . 15678 1
56 . 1 1 6 6 ILE HA H 1 4.750 . . 1 . . . . 6 I HA . 15678 1
57 . 1 1 6 6 ILE HB H 1 1.535 . . 1 . . . . 6 I HB . 15678 1
58 . 1 1 6 6 ILE HG12 H 1 0.839 . . 1 . . . . 6 I QG1 . 15678 1
59 . 1 1 6 6 ILE HG13 H 1 0.839 . . 1 . . . . 6 I QG1 . 15678 1
60 . 1 1 6 6 ILE HG21 H 1 0.475 . . 1 . . . . 6 I QG2 . 15678 1
61 . 1 1 6 6 ILE HG22 H 1 0.475 . . 1 . . . . 6 I QG2 . 15678 1
62 . 1 1 6 6 ILE HG23 H 1 0.475 . . 1 . . . . 6 I QG2 . 15678 1
63 . 1 1 6 6 ILE C C 13 175.443 . . 1 . . . . 6 I C . 15678 1
64 . 1 1 6 6 ILE CA C 13 61.130 . . 1 . . . . 6 I CA . 15678 1
65 . 1 1 6 6 ILE CB C 13 40.099 . . 1 . . . . 6 I CB . 15678 1
66 . 1 1 6 6 ILE CD1 C 13 13.245 . . 1 . . . . 6 I CD1 . 15678 1
67 . 1 1 6 6 ILE CG1 C 13 28.037 . . 1 . . . . 6 I CG1 . 15678 1
68 . 1 1 6 6 ILE CG2 C 13 17.348 . . 1 . . . . 6 I CG2 . 15678 1
69 . 1 1 6 6 ILE N N 15 120.885 . . 1 . . . . 6 I N . 15678 1
70 . 1 1 7 7 SER H H 1 9.218 . . 1 . . . . 7 S H . 15678 1
71 . 1 1 7 7 SER HA H 1 4.774 . . 1 . . . . 7 S HA . 15678 1
72 . 1 1 7 7 SER HB2 H 1 3.700 . . 2 . . . . 7 S HB2 . 15678 1
73 . 1 1 7 7 SER HB3 H 1 3.557 . . 2 . . . . 7 S HB3 . 15678 1
74 . 1 1 7 7 SER C C 13 172.514 . . 1 . . . . 7 S C . 15678 1
75 . 1 1 7 7 SER CA C 13 56.859 . . 1 . . . . 7 S CA . 15678 1
76 . 1 1 7 7 SER CB C 13 65.920 . . 1 . . . . 7 S CB . 15678 1
77 . 1 1 7 7 SER N N 15 121.117 . . 1 . . . . 7 S N . 15678 1
78 . 1 1 8 8 GLU H H 1 8.508 . . 1 . . . . 8 E H . 15678 1
79 . 1 1 8 8 GLU HA H 1 4.566 . . 1 . . . . 8 E HA . 15678 1
80 . 1 1 8 8 GLU HB2 H 1 2.040 . . 2 . . . . 8 E HB2 . 15678 1
81 . 1 1 8 8 GLU HB3 H 1 1.868 . . 2 . . . . 8 E HB3 . 15678 1
82 . 1 1 8 8 GLU HG2 H 1 2.158 . . 2 . . . . 8 E QG . 15678 1
83 . 1 1 8 8 GLU HG3 H 1 2.158 . . 2 . . . . 8 E QG . 15678 1
84 . 1 1 8 8 GLU C C 13 176.191 . . 1 . . . . 8 E C . 15678 1
85 . 1 1 8 8 GLU CA C 13 56.668 . . 1 . . . . 8 E CA . 15678 1
86 . 1 1 8 8 GLU CB C 13 30.810 . . 1 . . . . 8 E CB . 15678 1
87 . 1 1 8 8 GLU CG C 13 36.681 . . 1 . . . . 8 E CG . 15678 1
88 . 1 1 8 8 GLU N N 15 122.583 . . 1 . . . . 8 E N . 15678 1
89 . 1 1 9 9 THR H H 1 8.579 . . 1 . . . . 9 T H . 15678 1
90 . 1 1 9 9 THR HA H 1 4.894 . . 1 . . . . 9 T HA . 15678 1
91 . 1 1 9 9 THR HB H 1 4.430 . . 1 . . . . 9 T HB . 15678 1
92 . 1 1 9 9 THR HG21 H 1 1.064 . . 1 . . . . 9 T QG2 . 15678 1
93 . 1 1 9 9 THR HG22 H 1 1.064 . . 1 . . . . 9 T QG2 . 15678 1
94 . 1 1 9 9 THR HG23 H 1 1.064 . . 1 . . . . 9 T QG2 . 15678 1
95 . 1 1 9 9 THR CA C 13 60.305 . . 1 . . . . 9 T CA . 15678 1
96 . 1 1 9 9 THR CB C 13 69.397 . . 1 . . . . 9 T CB . 15678 1
97 . 1 1 9 9 THR N N 15 112.311 . . 1 . . . . 9 T N . 15678 1
98 . 1 1 10 10 PRO HA H 1 4.343 . . 1 . . . . 10 P HA . 15678 1
99 . 1 1 10 10 PRO HB2 H 1 2.389 . . 2 . . . . 10 P HB2 . 15678 1
100 . 1 1 10 10 PRO HB3 H 1 1.765 . . 2 . . . . 10 P HB3 . 15678 1
101 . 1 1 10 10 PRO C C 13 175.905 . . 1 . . . . 10 P C . 15678 1
102 . 1 1 10 10 PRO CA C 13 64.295 . . 1 . . . . 10 P CA . 15678 1
103 . 1 1 10 10 PRO CB C 13 31.964 . . 1 . . . . 10 P CB . 15678 1
104 . 1 1 10 10 PRO CD C 13 51.210 . . 1 . . . . 10 P CD . 15678 1
105 . 1 1 10 10 PRO CG C 13 27.813 . . 1 . . . . 10 P CG . 15678 1
106 . 1 1 11 11 ASN H H 1 7.617 . . 1 . . . . 11 N H . 15678 1
107 . 1 1 11 11 ASN HA H 1 4.901 . . 1 . . . . 11 N HA . 15678 1
108 . 1 1 11 11 ASN HB2 H 1 2.794 . . 2 . . . . 11 N HB2 . 15678 1
109 . 1 1 11 11 ASN HB3 H 1 2.581 . . 2 . . . . 11 N HB3 . 15678 1
110 . 1 1 11 11 ASN C C 13 177.082 . . 1 . . . . 11 N C . 15678 1
111 . 1 1 11 11 ASN CA C 13 51.609 . . 1 . . . . 11 N CA . 15678 1
112 . 1 1 11 11 ASN CB C 13 39.973 . . 1 . . . . 11 N CB . 15678 1
113 . 1 1 11 11 ASN N N 15 114.954 . . 1 . . . . 11 N N . 15678 1
114 . 1 1 12 12 HIS H H 1 7.631 . . 1 . . . . 12 H H . 15678 1
115 . 1 1 12 12 HIS HA H 1 4.741 . . 1 . . . . 12 H HA . 15678 1
116 . 1 1 12 12 HIS C C 13 175.918 . . 1 . . . . 12 H C . 15678 1
117 . 1 1 12 12 HIS CA C 13 58.513 . . 1 . . . . 12 H CA . 15678 1
118 . 1 1 12 12 HIS CB C 13 28.690 . . 1 . . . . 12 H CB . 15678 1
119 . 1 1 12 12 HIS N N 15 113.167 . . 1 . . . . 12 H N . 15678 1
120 . 1 1 13 13 ASN H H 1 8.487 . . 1 . . . . 13 N H . 15678 1
121 . 1 1 13 13 ASN HA H 1 5.036 . . 1 . . . . 13 N HA . 15678 1
122 . 1 1 13 13 ASN HB2 H 1 3.301 . . 2 . . . . 13 N HB2 . 15678 1
123 . 1 1 13 13 ASN HB3 H 1 2.733 . . 2 . . . . 13 N HB3 . 15678 1
124 . 1 1 13 13 ASN C C 13 174.353 . . 1 . . . . 13 N C . 15678 1
125 . 1 1 13 13 ASN CA C 13 53.618 . . 1 . . . . 13 N CA . 15678 1
126 . 1 1 13 13 ASN CB C 13 38.791 . . 1 . . . . 13 N CB . 15678 1
127 . 1 1 13 13 ASN N N 15 115.930 . . 1 . . . . 13 N N . 15678 1
128 . 1 1 14 14 THR H H 1 8.207 . . 1 . . . . 14 T H . 15678 1
129 . 1 1 14 14 THR HA H 1 6.045 . . 1 . . . . 14 T HA . 15678 1
130 . 1 1 14 14 THR HB H 1 3.741 . . 1 . . . . 14 T HB . 15678 1
131 . 1 1 14 14 THR HG21 H 1 1.167 . . 1 . . . . 14 T QG2 . 15678 1
132 . 1 1 14 14 THR HG22 H 1 1.167 . . 1 . . . . 14 T QG2 . 15678 1
133 . 1 1 14 14 THR HG23 H 1 1.167 . . 1 . . . . 14 T QG2 . 15678 1
134 . 1 1 14 14 THR C C 13 174.265 . . 1 . . . . 14 T C . 15678 1
135 . 1 1 14 14 THR CA C 13 62.679 . . 1 . . . . 14 T CA . 15678 1
136 . 1 1 14 14 THR CB C 13 71.613 . . 1 . . . . 14 T CB . 15678 1
137 . 1 1 14 14 THR CG2 C 13 22.295 . . 1 . . . . 14 T CG2 . 15678 1
138 . 1 1 14 14 THR N N 15 117.646 . . 1 . . . . 14 T N . 15678 1
139 . 1 1 15 15 MET H H 1 8.924 . . 1 . . . . 15 M H . 15678 1
140 . 1 1 15 15 MET HA H 1 4.770 . . 1 . . . . 15 M HA . 15678 1
141 . 1 1 15 15 MET HB2 H 1 1.113 . . 2 . . . . 15 M QB . 15678 1
142 . 1 1 15 15 MET HB3 H 1 1.113 . . 2 . . . . 15 M QB . 15678 1
143 . 1 1 15 15 MET C C 13 173.529 . . 1 . . . . 15 M C . 15678 1
144 . 1 1 15 15 MET CA C 13 53.327 . . 1 . . . . 15 M CA . 15678 1
145 . 1 1 15 15 MET CB C 13 35.044 . . 1 . . . . 15 M CB . 15678 1
146 . 1 1 15 15 MET CG C 13 31.572 . . 1 . . . . 15 M CG . 15678 1
147 . 1 1 15 15 MET N N 15 127.665 . . 1 . . . . 15 M N . 15678 1
148 . 1 1 16 16 LYS H H 1 8.727 . . 1 . . . . 16 K H . 15678 1
149 . 1 1 16 16 LYS HA H 1 4.991 . . 1 . . . . 16 K HA . 15678 1
150 . 1 1 16 16 LYS HB2 H 1 1.634 . . 2 . . . . 16 K HB2 . 15678 1
151 . 1 1 16 16 LYS HB3 H 1 1.306 . . 2 . . . . 16 K HB3 . 15678 1
152 . 1 1 16 16 LYS HG2 H 1 1.054 . . 2 . . . . 16 K HG2 . 15678 1
153 . 1 1 16 16 LYS HG3 H 1 0.908 . . 2 . . . . 16 K HG3 . 15678 1
154 . 1 1 16 16 LYS C C 13 174.929 . . 1 . . . . 16 K C . 15678 1
155 . 1 1 16 16 LYS CA C 13 55.426 . . 1 . . . . 16 K CA . 15678 1
156 . 1 1 16 16 LYS CB C 13 34.777 . . 1 . . . . 16 K CB . 15678 1
157 . 1 1 16 16 LYS CD C 13 29.576 . . 1 . . . . 16 K CD . 15678 1
158 . 1 1 16 16 LYS CE C 13 41.006 . . 1 . . . . 16 K CE . 15678 1
159 . 1 1 16 16 LYS CG C 13 25.452 . . 1 . . . . 16 K CG . 15678 1
160 . 1 1 16 16 LYS N N 15 124.273 . . 1 . . . . 16 K N . 15678 1
161 . 1 1 17 17 VAL H H 1 9.672 . . 1 . . . . 17 V H . 15678 1
162 . 1 1 17 17 VAL HA H 1 4.632 . . 1 . . . . 17 V HA . 15678 1
163 . 1 1 17 17 VAL HB H 1 2.211 . . 1 . . . . 17 V HB . 15678 1
164 . 1 1 17 17 VAL HG11 H 1 0.780 . . 1 . . . . 17 V QG1 . 15678 1
165 . 1 1 17 17 VAL HG12 H 1 0.780 . . 1 . . . . 17 V QG1 . 15678 1
166 . 1 1 17 17 VAL HG13 H 1 0.780 . . 1 . . . . 17 V QG1 . 15678 1
167 . 1 1 17 17 VAL HG21 H 1 0.606 . . 1 . . . . 17 V QG2 . 15678 1
168 . 1 1 17 17 VAL HG22 H 1 0.606 . . 1 . . . . 17 V QG2 . 15678 1
169 . 1 1 17 17 VAL HG23 H 1 0.606 . . 1 . . . . 17 V QG2 . 15678 1
170 . 1 1 17 17 VAL C C 13 175.142 . . 1 . . . . 17 V C . 15678 1
171 . 1 1 17 17 VAL CA C 13 61.435 . . 1 . . . . 17 V CA . 15678 1
172 . 1 1 17 17 VAL CB C 13 32.737 . . 1 . . . . 17 V CB . 15678 1
173 . 1 1 17 17 VAL CG1 C 13 21.953 . . 2 . . . . 17 V CG1 . 15678 1
174 . 1 1 17 17 VAL CG2 C 13 20.114 . . 2 . . . . 17 V CG2 . 15678 1
175 . 1 1 17 17 VAL N N 15 130.088 . . 1 . . . . 17 V N . 15678 1
176 . 1 1 18 18 SER H H 1 9.027 . . 1 . . . . 18 S H . 15678 1
177 . 1 1 18 18 SER HA H 1 4.930 . . 1 . . . . 18 S HA . 15678 1
178 . 1 1 18 18 SER HB2 H 1 3.977 . . 2 . . . . 18 S HB2 . 15678 1
179 . 1 1 18 18 SER HB3 H 1 3.676 . . 2 . . . . 18 S HB3 . 15678 1
180 . 1 1 18 18 SER C C 13 174.048 . . 1 . . . . 18 S C . 15678 1
181 . 1 1 18 18 SER CA C 13 59.003 . . 1 . . . . 18 S CA . 15678 1
182 . 1 1 18 18 SER CB C 13 63.599 . . 1 . . . . 18 S CB . 15678 1
183 . 1 1 18 18 SER N N 15 123.228 . . 1 . . . . 18 S N . 15678 1
184 . 1 1 19 19 LEU H H 1 9.252 . . 1 . . . . 19 L H . 15678 1
185 . 1 1 19 19 LEU HA H 1 4.986 . . 1 . . . . 19 L HA . 15678 1
186 . 1 1 19 19 LEU HB2 H 1 1.614 . . 2 . . . . 19 L QB . 15678 1
187 . 1 1 19 19 LEU HB3 H 1 1.614 . . 2 . . . . 19 L QB . 15678 1
188 . 1 1 19 19 LEU HD11 H 1 0.297 . . 1 . . . . 19 L QD1 . 15678 1
189 . 1 1 19 19 LEU HD12 H 1 0.297 . . 1 . . . . 19 L QD1 . 15678 1
190 . 1 1 19 19 LEU HD13 H 1 0.297 . . 1 . . . . 19 L QD1 . 15678 1
191 . 1 1 19 19 LEU HG H 1 0.782 . . 1 . . . . 19 L HG . 15678 1
192 . 1 1 19 19 LEU C C 13 178.091 . . 1 . . . . 19 L C . 15678 1
193 . 1 1 19 19 LEU CA C 13 53.505 . . 1 . . . . 19 L CA . 15678 1
194 . 1 1 19 19 LEU CB C 13 45.142 . . 1 . . . . 19 L CB . 15678 1
195 . 1 1 19 19 LEU CD1 C 13 23.319 . . 2 . . . . 19 L CD1 . 15678 1
196 . 1 1 19 19 LEU CG C 13 26.090 . . 1 . . . . 19 L CG . 15678 1
197 . 1 1 19 19 LEU N N 15 125.233 . . 1 . . . . 19 L N . 15678 1
198 . 1 1 20 20 SER H H 1 8.209 . . 1 . . . . 20 S H . 15678 1
199 . 1 1 20 20 SER HA H 1 3.582 . . 1 . . . . 20 S HA . 15678 1
200 . 1 1 20 20 SER HB2 H 1 4.037 . . 2 . . . . 20 S HB2 . 15678 1
201 . 1 1 20 20 SER HB3 H 1 3.601 . . 2 . . . . 20 S HB3 . 15678 1
202 . 1 1 20 20 SER C C 13 173.521 . . 1 . . . . 20 S C . 15678 1
203 . 1 1 20 20 SER CA C 13 60.032 . . 1 . . . . 20 S CA . 15678 1
204 . 1 1 20 20 SER CB C 13 63.018 . . 1 . . . . 20 S CB . 15678 1
205 . 1 1 20 20 SER N N 15 111.537 . . 1 . . . . 20 S N . 15678 1
206 . 1 1 21 21 GLU H H 1 7.019 . . 1 . . . . 21 E H . 15678 1
207 . 1 1 21 21 GLU HA H 1 4.994 . . 1 . . . . 21 E HA . 15678 1
208 . 1 1 21 21 GLU HB2 H 1 1.640 . . 2 . . . . 21 E QB . 15678 1
209 . 1 1 21 21 GLU HB3 H 1 1.640 . . 2 . . . . 21 E QB . 15678 1
210 . 1 1 21 21 GLU HG2 H 1 2.090 . . 2 . . . . 21 E QG . 15678 1
211 . 1 1 21 21 GLU HG3 H 1 2.090 . . 2 . . . . 21 E QG . 15678 1
212 . 1 1 21 21 GLU CA C 13 52.972 . . 1 . . . . 21 E CA . 15678 1
213 . 1 1 21 21 GLU CB C 13 32.098 . . 1 . . . . 21 E CB . 15678 1
214 . 1 1 21 21 GLU N N 15 118.252 . . 1 . . . . 21 E N . 15678 1
215 . 1 1 22 22 PRO C C 13 177.048 . . 1 . . . . 22 P C . 15678 1
216 . 1 1 22 22 PRO CA C 13 61.123 . . 1 . . . . 22 P CA . 15678 1
217 . 1 1 22 22 PRO CB C 13 32.051 . . 1 . . . . 22 P CB . 15678 1
218 . 1 1 22 22 PRO CD C 13 50.240 . . 1 . . . . 22 P CD . 15678 1
219 . 1 1 22 22 PRO CG C 13 26.284 . . 1 . . . . 22 P CG . 15678 1
220 . 1 1 23 23 ARG H H 1 8.429 . . 1 . . . . 23 R H . 15678 1
221 . 1 1 23 23 ARG HA H 1 4.186 . . 1 . . . . 23 R HA . 15678 1
222 . 1 1 23 23 ARG HD2 H 1 2.662 . . 2 . . . . 23 R QD . 15678 1
223 . 1 1 23 23 ARG HD3 H 1 2.662 . . 2 . . . . 23 R QD . 15678 1
224 . 1 1 23 23 ARG C C 13 177.882 . . 1 . . . . 23 R C . 15678 1
225 . 1 1 23 23 ARG CA C 13 57.211 . . 1 . . . . 23 R CA . 15678 1
226 . 1 1 23 23 ARG CB C 13 30.892 . . 1 . . . . 23 R CB . 15678 1
227 . 1 1 23 23 ARG CD C 13 42.280 . . 1 . . . . 23 R CD . 15678 1
228 . 1 1 23 23 ARG CG C 13 26.719 . . 1 . . . . 23 R CG . 15678 1
229 . 1 1 23 23 ARG N N 15 120.494 . . 1 . . . . 23 R N . 15678 1
230 . 1 1 24 24 GLN H H 1 8.831 . . 1 . . . . 24 Q H . 15678 1
231 . 1 1 24 24 GLN HA H 1 4.211 . . 1 . . . . 24 Q HA . 15678 1
232 . 1 1 24 24 GLN HG2 H 1 2.336 . . 2 . . . . 24 Q QG . 15678 1
233 . 1 1 24 24 GLN HG3 H 1 2.336 . . 2 . . . . 24 Q QG . 15678 1
234 . 1 1 24 24 GLN C C 13 175.287 . . 1 . . . . 24 Q C . 15678 1
235 . 1 1 24 24 GLN CA C 13 56.877 . . 1 . . . . 24 Q CA . 15678 1
236 . 1 1 24 24 GLN CB C 13 28.990 . . 1 . . . . 24 Q CB . 15678 1
237 . 1 1 24 24 GLN CG C 13 33.857 . . 1 . . . . 24 Q CG . 15678 1
238 . 1 1 24 24 GLN N N 15 121.959 . . 1 . . . . 24 Q N . 15678 1
239 . 1 1 25 25 ASP H H 1 7.744 . . 1 . . . . 25 D H . 15678 1
240 . 1 1 25 25 ASP HA H 1 4.505 . . 1 . . . . 25 D HA . 15678 1
241 . 1 1 25 25 ASP HB2 H 1 2.891 . . 2 . . . . 25 D HB2 . 15678 1
242 . 1 1 25 25 ASP HB3 H 1 2.564 . . 2 . . . . 25 D HB3 . 15678 1
243 . 1 1 25 25 ASP C C 13 175.999 . . 1 . . . . 25 D C . 15678 1
244 . 1 1 25 25 ASP CA C 13 52.847 . . 1 . . . . 25 D CA . 15678 1
245 . 1 1 25 25 ASP CB C 13 41.068 . . 1 . . . . 25 D CB . 15678 1
246 . 1 1 25 25 ASP N N 15 116.784 . . 1 . . . . 25 D N . 15678 1
247 . 1 1 26 26 ASN H H 1 8.286 . . 1 . . . . 26 N H . 15678 1
248 . 1 1 26 26 ASN HA H 1 4.740 . . 1 . . . . 26 N HA . 15678 1
249 . 1 1 26 26 ASN HB2 H 1 2.950 . . 2 . . . . 26 N HB2 . 15678 1
250 . 1 1 26 26 ASN HB3 H 1 2.693 . . 2 . . . . 26 N HB3 . 15678 1
251 . 1 1 26 26 ASN C C 13 174.690 . . 1 . . . . 26 N C . 15678 1
252 . 1 1 26 26 ASN CA C 13 53.461 . . 1 . . . . 26 N CA . 15678 1
253 . 1 1 26 26 ASN CB C 13 37.952 . . 1 . . . . 26 N CB . 15678 1
254 . 1 1 26 26 ASN N N 15 116.196 . . 1 . . . . 26 N N . 15678 1
255 . 1 1 27 27 SER H H 1 7.550 . . 1 . . . . 27 S H . 15678 1
256 . 1 1 27 27 SER HA H 1 4.455 . . 1 . . . . 27 S HA . 15678 1
257 . 1 1 27 27 SER HB2 H 1 3.453 . . 2 . . . . 27 S QB . 15678 1
258 . 1 1 27 27 SER HB3 H 1 3.453 . . 2 . . . . 27 S QB . 15678 1
259 . 1 1 27 27 SER C C 13 172.433 . . 1 . . . . 27 S C . 15678 1
260 . 1 1 27 27 SER CA C 13 57.292 . . 1 . . . . 27 S CA . 15678 1
261 . 1 1 27 27 SER CB C 13 64.596 . . 1 . . . . 27 S CB . 15678 1
262 . 1 1 27 27 SER N N 15 113.126 . . 1 . . . . 27 S N . 15678 1
263 . 1 1 28 28 PHE H H 1 7.667 . . 1 . . . . 28 F H . 15678 1
264 . 1 1 28 28 PHE HA H 1 5.217 . . 1 . . . . 28 F HA . 15678 1
265 . 1 1 28 28 PHE HB2 H 1 2.716 . . 2 . . . . 28 F QB . 15678 1
266 . 1 1 28 28 PHE HB3 H 1 2.716 . . 2 . . . . 28 F QB . 15678 1
267 . 1 1 28 28 PHE HD1 H 1 7.035 . . 3 . . . . 28 F QD . 15678 1
268 . 1 1 28 28 PHE HD2 H 1 7.035 . . 3 . . . . 28 F QD . 15678 1
269 . 1 1 28 28 PHE C C 13 174.783 . . 1 . . . . 28 F C . 15678 1
270 . 1 1 28 28 PHE CA C 13 54.683 . . 1 . . . . 28 F CA . 15678 1
271 . 1 1 28 28 PHE CB C 13 41.380 . . 1 . . . . 28 F CB . 15678 1
272 . 1 1 28 28 PHE CD1 C 13 129.289 . . 3 . . . . 28 F CD1 . 15678 1
273 . 1 1 28 28 PHE N N 15 117.393 . . 1 . . . . 28 F N . 15678 1
274 . 1 1 29 29 THR H H 1 7.837 . . 1 . . . . 29 T H . 15678 1
275 . 1 1 29 29 THR HA H 1 4.365 . . 1 . . . . 29 T HA . 15678 1
276 . 1 1 29 29 THR HB H 1 3.313 . . 1 . . . . 29 T HB . 15678 1
277 . 1 1 29 29 THR HG21 H 1 0.741 . . 1 . . . . 29 T QG2 . 15678 1
278 . 1 1 29 29 THR HG22 H 1 0.741 . . 1 . . . . 29 T QG2 . 15678 1
279 . 1 1 29 29 THR HG23 H 1 0.741 . . 1 . . . . 29 T QG2 . 15678 1
280 . 1 1 29 29 THR C C 13 171.762 . . 1 . . . . 29 T C . 15678 1
281 . 1 1 29 29 THR CA C 13 61.971 . . 1 . . . . 29 T CA . 15678 1
282 . 1 1 29 29 THR CB C 13 72.905 . . 1 . . . . 29 T CB . 15678 1
283 . 1 1 29 29 THR CG2 C 13 23.001 . . 1 . . . . 29 T CG2 . 15678 1
284 . 1 1 29 29 THR N N 15 115.460 . . 1 . . . . 29 T N . 15678 1
285 . 1 1 30 30 THR H H 1 8.326 . . 1 . . . . 30 T H . 15678 1
286 . 1 1 30 30 THR HA H 1 5.170 . . 1 . . . . 30 T HA . 15678 1
287 . 1 1 30 30 THR HB H 1 3.969 . . 1 . . . . 30 T HB . 15678 1
288 . 1 1 30 30 THR HG21 H 1 1.195 . . 1 . . . . 30 T QG2 . 15678 1
289 . 1 1 30 30 THR HG22 H 1 1.195 . . 1 . . . . 30 T QG2 . 15678 1
290 . 1 1 30 30 THR HG23 H 1 1.195 . . 1 . . . . 30 T QG2 . 15678 1
291 . 1 1 30 30 THR C C 13 173.243 . . 1 . . . . 30 T C . 15678 1
292 . 1 1 30 30 THR CA C 13 62.222 . . 1 . . . . 30 T CA . 15678 1
293 . 1 1 30 30 THR CB C 13 69.615 . . 1 . . . . 30 T CB . 15678 1
294 . 1 1 30 30 THR CG2 C 13 21.625 . . 1 . . . . 30 T CG2 . 15678 1
295 . 1 1 30 30 THR N N 15 121.078 . . 1 . . . . 30 T N . 15678 1
296 . 1 1 31 31 TYR H H 1 9.914 . . 1 . . . . 31 Y H . 15678 1
297 . 1 1 31 31 TYR HA H 1 5.012 . . 1 . . . . 31 Y HA . 15678 1
298 . 1 1 31 31 TYR HB2 H 1 2.962 . . 2 . . . . 31 Y QB . 15678 1
299 . 1 1 31 31 TYR HB3 H 1 2.962 . . 2 . . . . 31 Y QB . 15678 1
300 . 1 1 31 31 TYR HD1 H 1 7.069 . . 3 . . . . 31 Y QD . 15678 1
301 . 1 1 31 31 TYR HD2 H 1 7.069 . . 3 . . . . 31 Y QD . 15678 1
302 . 1 1 31 31 TYR C C 13 175.946 . . 1 . . . . 31 Y C . 15678 1
303 . 1 1 31 31 TYR CA C 13 56.440 . . 1 . . . . 31 Y CA . 15678 1
304 . 1 1 31 31 TYR CB C 13 41.929 . . 1 . . . . 31 Y CB . 15678 1
305 . 1 1 31 31 TYR CD1 C 13 130.490 . . 3 . . . . 31 Y CD1 . 15678 1
306 . 1 1 31 31 TYR N N 15 126.795 . . 1 . . . . 31 Y N . 15678 1
307 . 1 1 32 32 THR H H 1 8.825 . . 1 . . . . 32 T H . 15678 1
308 . 1 1 32 32 THR HA H 1 4.662 . . 1 . . . . 32 T HA . 15678 1
309 . 1 1 32 32 THR HB H 1 3.150 . . 1 . . . . 32 T HB . 15678 1
310 . 1 1 32 32 THR HG21 H 1 1.155 . . 1 . . . . 32 T QG2 . 15678 1
311 . 1 1 32 32 THR HG22 H 1 1.155 . . 1 . . . . 32 T QG2 . 15678 1
312 . 1 1 32 32 THR HG23 H 1 1.155 . . 1 . . . . 32 T QG2 . 15678 1
313 . 1 1 32 32 THR C C 13 172.185 . . 1 . . . . 32 T C . 15678 1
314 . 1 1 32 32 THR CA C 13 61.335 . . 1 . . . . 32 T CA . 15678 1
315 . 1 1 32 32 THR CB C 13 70.088 . . 1 . . . . 32 T CB . 15678 1
316 . 1 1 32 32 THR CG2 C 13 21.724 . . 1 . . . . 32 T CG2 . 15678 1
317 . 1 1 32 32 THR N N 15 110.890 . . 1 . . . . 32 T N . 15678 1
318 . 1 1 33 33 ALA H H 1 7.295 . . 1 . . . . 33 A H . 15678 1
319 . 1 1 33 33 ALA HA H 1 3.211 . . 1 . . . . 33 A HA . 15678 1
320 . 1 1 33 33 ALA HB1 H 1 1.112 . . 1 . . . . 33 A QB . 15678 1
321 . 1 1 33 33 ALA HB2 H 1 1.112 . . 1 . . . . 33 A QB . 15678 1
322 . 1 1 33 33 ALA HB3 H 1 1.112 . . 1 . . . . 33 A QB . 15678 1
323 . 1 1 33 33 ALA C C 13 175.141 . . 1 . . . . 33 A C . 15678 1
324 . 1 1 33 33 ALA CA C 13 50.808 . . 1 . . . . 33 A CA . 15678 1
325 . 1 1 33 33 ALA CB C 13 21.586 . . 1 . . . . 33 A CB . 15678 1
326 . 1 1 33 33 ALA N N 15 124.136 . . 1 . . . . 33 A N . 15678 1
327 . 1 1 34 34 ALA H H 1 8.271 . . 1 . . . . 34 A H . 15678 1
328 . 1 1 34 34 ALA HA H 1 4.122 . . 1 . . . . 34 A HA . 15678 1
329 . 1 1 34 34 ALA HB1 H 1 1.163 . . 1 . . . . 34 A QB . 15678 1
330 . 1 1 34 34 ALA HB2 H 1 1.163 . . 1 . . . . 34 A QB . 15678 1
331 . 1 1 34 34 ALA HB3 H 1 1.163 . . 1 . . . . 34 A QB . 15678 1
332 . 1 1 34 34 ALA C C 13 176.994 . . 1 . . . . 34 A C . 15678 1
333 . 1 1 34 34 ALA CA C 13 52.066 . . 1 . . . . 34 A CA . 15678 1
334 . 1 1 34 34 ALA CB C 13 18.892 . . 1 . . . . 34 A CB . 15678 1
335 . 1 1 34 34 ALA N N 15 121.645 . . 1 . . . . 34 A N . 15678 1
336 . 1 1 35 35 GLN H H 1 7.637 . . 1 . . . . 35 Q H . 15678 1
337 . 1 1 35 35 GLN HA H 1 4.415 . . 1 . . . . 35 Q HA . 15678 1
338 . 1 1 35 35 GLN HB2 H 1 1.877 . . 2 . . . . 35 Q HB2 . 15678 1
339 . 1 1 35 35 GLN HB3 H 1 1.594 . . 2 . . . . 35 Q HB3 . 15678 1
340 . 1 1 35 35 GLN HG2 H 1 2.176 . . 2 . . . . 35 Q QG . 15678 1
341 . 1 1 35 35 GLN HG3 H 1 2.176 . . 2 . . . . 35 Q QG . 15678 1
342 . 1 1 35 35 GLN C C 13 175.575 . . 1 . . . . 35 Q C . 15678 1
343 . 1 1 35 35 GLN CA C 13 54.914 . . 1 . . . . 35 Q CA . 15678 1
344 . 1 1 35 35 GLN CB C 13 33.020 . . 1 . . . . 35 Q CB . 15678 1
345 . 1 1 35 35 GLN N N 15 119.661 . . 1 . . . . 35 Q N . 15678 1
346 . 1 1 36 36 GLU H H 1 8.871 . . 1 . . . . 36 E H . 15678 1
347 . 1 1 36 36 GLU HA H 1 4.092 . . 1 . . . . 36 E HA . 15678 1
348 . 1 1 36 36 GLU HB2 H 1 1.942 . . 2 . . . . 36 E QB . 15678 1
349 . 1 1 36 36 GLU HB3 H 1 1.942 . . 2 . . . . 36 E QB . 15678 1
350 . 1 1 36 36 GLU HG2 H 1 2.240 . . 2 . . . . 36 E QG . 15678 1
351 . 1 1 36 36 GLU HG3 H 1 2.240 . . 2 . . . . 36 E QG . 15678 1
352 . 1 1 36 36 GLU C C 13 177.135 . . 1 . . . . 36 E C . 15678 1
353 . 1 1 36 36 GLU CA C 13 57.893 . . 1 . . . . 36 E CA . 15678 1
354 . 1 1 36 36 GLU CB C 13 29.338 . . 1 . . . . 36 E CB . 15678 1
355 . 1 1 36 36 GLU CG C 13 35.804 . . 1 . . . . 36 E CG . 15678 1
356 . 1 1 36 36 GLU N N 15 125.963 . . 1 . . . . 36 E N . 15678 1
357 . 1 1 37 37 GLY H H 1 9.099 . . 1 . . . . 37 G H . 15678 1
358 . 1 1 37 37 GLY HA2 H 1 4.333 . . 2 . . . . 37 G HA2 . 15678 1
359 . 1 1 37 37 GLY HA3 H 1 3.645 . . 2 . . . . 37 G HA3 . 15678 1
360 . 1 1 37 37 GLY C C 13 175.054 . . 1 . . . . 37 G C . 15678 1
361 . 1 1 37 37 GLY CA C 13 45.004 . . 1 . . . . 37 G CA . 15678 1
362 . 1 1 37 37 GLY N N 15 113.741 . . 1 . . . . 37 G N . 15678 1
363 . 1 1 38 38 GLN H H 1 7.191 . . 1 . . . . 38 Q H . 15678 1
364 . 1 1 38 38 GLN HA H 1 4.603 . . 1 . . . . 38 Q HA . 15678 1
365 . 1 1 38 38 GLN HB2 H 1 2.516 . . 2 . . . . 38 Q HB2 . 15678 1
366 . 1 1 38 38 GLN HB3 H 1 2.091 . . 2 . . . . 38 Q HB3 . 15678 1
367 . 1 1 38 38 GLN CA C 13 54.180 . . 1 . . . . 38 Q CA . 15678 1
368 . 1 1 38 38 GLN CB C 13 26.055 . . 1 . . . . 38 Q CB . 15678 1
369 . 1 1 38 38 GLN N N 15 118.051 . . 1 . . . . 38 Q N . 15678 1
370 . 1 1 39 39 PRO HA H 1 4.304 . . 1 . . . . 39 P HA . 15678 1
371 . 1 1 39 39 PRO C C 13 177.743 . . 1 . . . . 39 P C . 15678 1
372 . 1 1 39 39 PRO CA C 13 62.979 . . 1 . . . . 39 P CA . 15678 1
373 . 1 1 39 39 PRO CB C 13 32.019 . . 1 . . . . 39 P CB . 15678 1
374 . 1 1 39 39 PRO CD C 13 50.151 . . 1 . . . . 39 P CD . 15678 1
375 . 1 1 39 39 PRO CG C 13 27.881 . . 1 . . . . 39 P CG . 15678 1
376 . 1 1 40 40 GLU H H 1 9.027 . . 1 . . . . 40 E H . 15678 1
377 . 1 1 40 40 GLU HA H 1 3.889 . . 1 . . . . 40 E HA . 15678 1
378 . 1 1 40 40 GLU HB2 H 1 2.100 . . 2 . . . . 40 E QB . 15678 1
379 . 1 1 40 40 GLU HB3 H 1 2.100 . . 2 . . . . 40 E QB . 15678 1
380 . 1 1 40 40 GLU HG2 H 1 2.322 . . 2 . . . . 40 E QG . 15678 1
381 . 1 1 40 40 GLU HG3 H 1 2.322 . . 2 . . . . 40 E QG . 15678 1
382 . 1 1 40 40 GLU C C 13 178.753 . . 1 . . . . 40 E C . 15678 1
383 . 1 1 40 40 GLU CA C 13 60.222 . . 1 . . . . 40 E CA . 15678 1
384 . 1 1 40 40 GLU CB C 13 28.974 . . 1 . . . . 40 E CB . 15678 1
385 . 1 1 40 40 GLU CG C 13 35.864 . . 1 . . . . 40 E CG . 15678 1
386 . 1 1 40 40 GLU N N 15 126.958 . . 1 . . . . 40 E N . 15678 1
387 . 1 1 41 41 PHE H H 1 8.002 . . 1 . . . . 41 F H . 15678 1
388 . 1 1 41 41 PHE HA H 1 3.954 . . 1 . . . . 41 F HA . 15678 1
389 . 1 1 41 41 PHE HB2 H 1 2.843 . . 2 . . . . 41 F HB2 . 15678 1
390 . 1 1 41 41 PHE HB3 H 1 2.632 . . 2 . . . . 41 F HB3 . 15678 1
391 . 1 1 41 41 PHE HD1 H 1 7.007 . . 3 . . . . 41 F QD . 15678 1
392 . 1 1 41 41 PHE HD2 H 1 7.007 . . 3 . . . . 41 F QD . 15678 1
393 . 1 1 41 41 PHE C C 13 175.758 . . 1 . . . . 41 F C . 15678 1
394 . 1 1 41 41 PHE CA C 13 59.710 . . 1 . . . . 41 F CA . 15678 1
395 . 1 1 41 41 PHE CB C 13 36.676 . . 1 . . . . 41 F CB . 15678 1
396 . 1 1 41 41 PHE N N 15 113.466 . . 1 . . . . 41 F N . 15678 1
397 . 1 1 42 42 ILE H H 1 5.768 . . 1 . . . . 42 I H . 15678 1
398 . 1 1 42 42 ILE HA H 1 3.139 . . 1 . . . . 42 I HA . 15678 1
399 . 1 1 42 42 ILE HB H 1 1.475 . . 1 . . . . 42 I HB . 15678 1
400 . 1 1 42 42 ILE HD11 H 1 0.010 . . 1 . . . . 42 I QD1 . 15678 1
401 . 1 1 42 42 ILE HD12 H 1 0.010 . . 1 . . . . 42 I QD1 . 15678 1
402 . 1 1 42 42 ILE HD13 H 1 0.010 . . 1 . . . . 42 I QD1 . 15678 1
403 . 1 1 42 42 ILE HG12 H 1 0.053 . . 1 . . . . 42 I QG1 . 15678 1
404 . 1 1 42 42 ILE HG13 H 1 0.053 . . 1 . . . . 42 I QG1 . 15678 1
405 . 1 1 42 42 ILE HG21 H 1 0.028 . . 1 . . . . 42 I QG2 . 15678 1
406 . 1 1 42 42 ILE HG22 H 1 0.028 . . 1 . . . . 42 I QG2 . 15678 1
407 . 1 1 42 42 ILE HG23 H 1 0.028 . . 1 . . . . 42 I QG2 . 15678 1
408 . 1 1 42 42 ILE C C 13 176.683 . . 1 . . . . 42 I C . 15678 1
409 . 1 1 42 42 ILE CA C 13 60.658 . . 1 . . . . 42 I CA . 15678 1
410 . 1 1 42 42 ILE CB C 13 35.040 . . 1 . . . . 42 I CB . 15678 1
411 . 1 1 42 42 ILE CG1 C 13 25.255 . . 1 . . . . 42 I CG1 . 15678 1
412 . 1 1 42 42 ILE CG2 C 13 15.790 . . 1 . . . . 42 I CG2 . 15678 1
413 . 1 1 42 42 ILE N N 15 120.624 . . 1 . . . . 42 I N . 15678 1
414 . 1 1 43 43 ASN H H 1 7.181 . . 1 . . . . 43 N H . 15678 1
415 . 1 1 43 43 ASN HA H 1 4.346 . . 1 . . . . 43 N HA . 15678 1
416 . 1 1 43 43 ASN HB2 H 1 2.747 . . 2 . . . . 43 N QB . 15678 1
417 . 1 1 43 43 ASN HB3 H 1 2.747 . . 2 . . . . 43 N QB . 15678 1
418 . 1 1 43 43 ASN HD21 H 1 6.575 . . 2 . . . . 43 N HD21 . 15678 1
419 . 1 1 43 43 ASN HD22 H 1 7.567 . . 2 . . . . 43 N HD22 . 15678 1
420 . 1 1 43 43 ASN C C 13 179.014 . . 1 . . . . 43 N C . 15678 1
421 . 1 1 43 43 ASN CA C 13 55.866 . . 1 . . . . 43 N CA . 15678 1
422 . 1 1 43 43 ASN CB C 13 36.647 . . 1 . . . . 43 N CB . 15678 1
423 . 1 1 43 43 ASN N N 15 117.715 . . 1 . . . . 43 N N . 15678 1
424 . 1 1 43 43 ASN ND2 N 15 110.152 . . 1 . . . . 43 N ND2 . 15678 1
425 . 1 1 44 44 ARG H H 1 8.104 . . 1 . . . . 44 R H . 15678 1
426 . 1 1 44 44 ARG HA H 1 3.950 . . 1 . . . . 44 R HA . 15678 1
427 . 1 1 44 44 ARG HB2 H 1 1.624 . . 2 . . . . 44 R QB . 15678 1
428 . 1 1 44 44 ARG HB3 H 1 1.624 . . 2 . . . . 44 R QB . 15678 1
429 . 1 1 44 44 ARG HD2 H 1 3.065 . . 2 . . . . 44 R QD . 15678 1
430 . 1 1 44 44 ARG HD3 H 1 3.065 . . 2 . . . . 44 R QD . 15678 1
431 . 1 1 44 44 ARG HG2 H 1 1.707 . . 2 . . . . 44 R HG2 . 15678 1
432 . 1 1 44 44 ARG HG3 H 1 1.593 . . 2 . . . . 44 R HG3 . 15678 1
433 . 1 1 44 44 ARG C C 13 179.954 . . 1 . . . . 44 R C . 15678 1
434 . 1 1 44 44 ARG CA C 13 58.720 . . 1 . . . . 44 R CA . 15678 1
435 . 1 1 44 44 ARG CB C 13 30.399 . . 1 . . . . 44 R CB . 15678 1
436 . 1 1 44 44 ARG CD C 13 43.227 . . 1 . . . . 44 R CD . 15678 1
437 . 1 1 44 44 ARG CG C 13 27.485 . . 1 . . . . 44 R CG . 15678 1
438 . 1 1 44 44 ARG N N 15 117.153 . . 1 . . . . 44 R N . 15678 1
439 . 1 1 45 45 LEU H H 1 7.418 . . 1 . . . . 45 L H . 15678 1
440 . 1 1 45 45 LEU HA H 1 3.926 . . 1 . . . . 45 L HA . 15678 1
441 . 1 1 45 45 LEU HB2 H 1 1.837 . . 2 . . . . 45 L QB . 15678 1
442 . 1 1 45 45 LEU HB3 H 1 1.837 . . 2 . . . . 45 L QB . 15678 1
443 . 1 1 45 45 LEU HD11 H 1 0.827 . . 1 . . . . 45 L QD1 . 15678 1
444 . 1 1 45 45 LEU HD12 H 1 0.827 . . 1 . . . . 45 L QD1 . 15678 1
445 . 1 1 45 45 LEU HD13 H 1 0.827 . . 1 . . . . 45 L QD1 . 15678 1
446 . 1 1 45 45 LEU HG H 1 0.772 . . 1 . . . . 45 L HG . 15678 1
447 . 1 1 45 45 LEU C C 13 177.728 . . 1 . . . . 45 L C . 15678 1
448 . 1 1 45 45 LEU CA C 13 57.639 . . 1 . . . . 45 L CA . 15678 1
449 . 1 1 45 45 LEU CB C 13 41.542 . . 1 . . . . 45 L CB . 15678 1
450 . 1 1 45 45 LEU CD1 C 13 25.207 . . 2 . . . . 45 L CD1 . 15678 1
451 . 1 1 45 45 LEU CG C 13 27.111 . . 1 . . . . 45 L CG . 15678 1
452 . 1 1 45 45 LEU N N 15 121.239 . . 1 . . . . 45 L N . 15678 1
453 . 1 1 46 46 PHE H H 1 7.089 . . 1 . . . . 46 F H . 15678 1
454 . 1 1 46 46 PHE HA H 1 4.236 . . 1 . . . . 46 F HA . 15678 1
455 . 1 1 46 46 PHE HB2 H 1 3.434 . . 2 . . . . 46 F HB2 . 15678 1
456 . 1 1 46 46 PHE HB3 H 1 2.625 . . 2 . . . . 46 F HB3 . 15678 1
457 . 1 1 46 46 PHE C C 13 176.383 . . 1 . . . . 46 F C . 15678 1
458 . 1 1 46 46 PHE CA C 13 61.502 . . 1 . . . . 46 F CA . 15678 1
459 . 1 1 46 46 PHE CB C 13 39.087 . . 1 . . . . 46 F CB . 15678 1
460 . 1 1 46 46 PHE N N 15 112.649 . . 1 . . . . 46 F N . 15678 1
461 . 1 1 47 47 GLU H H 1 7.308 . . 1 . . . . 47 E H . 15678 1
462 . 1 1 47 47 GLU HA H 1 4.202 . . 1 . . . . 47 E HA . 15678 1
463 . 1 1 47 47 GLU HB2 H 1 2.206 . . 2 . . . . 47 E HB2 . 15678 1
464 . 1 1 47 47 GLU HB3 H 1 1.990 . . 2 . . . . 47 E HB3 . 15678 1
465 . 1 1 47 47 GLU HG2 H 1 2.459 . . 2 . . . . 47 E QG . 15678 1
466 . 1 1 47 47 GLU HG3 H 1 2.459 . . 2 . . . . 47 E QG . 15678 1
467 . 1 1 47 47 GLU C C 13 176.265 . . 1 . . . . 47 E C . 15678 1
468 . 1 1 47 47 GLU CA C 13 57.046 . . 1 . . . . 47 E CA . 15678 1
469 . 1 1 47 47 GLU CB C 13 29.335 . . 1 . . . . 47 E CB . 15678 1
470 . 1 1 47 47 GLU CG C 13 36.585 . . 1 . . . . 47 E CG . 15678 1
471 . 1 1 47 47 GLU N N 15 117.703 . . 1 . . . . 47 E N . 15678 1
472 . 1 1 48 48 ILE H H 1 7.348 . . 1 . . . . 48 I H . 15678 1
473 . 1 1 48 48 ILE HA H 1 3.814 . . 1 . . . . 48 I HA . 15678 1
474 . 1 1 48 48 ILE HB H 1 2.047 . . 1 . . . . 48 I HB . 15678 1
475 . 1 1 48 48 ILE HD11 H 1 0.720 . . 1 . . . . 48 I QD1 . 15678 1
476 . 1 1 48 48 ILE HD12 H 1 0.720 . . 1 . . . . 48 I QD1 . 15678 1
477 . 1 1 48 48 ILE HD13 H 1 0.720 . . 1 . . . . 48 I QD1 . 15678 1
478 . 1 1 48 48 ILE HG12 H 1 1.558 . . 1 . . . . 48 I QG1 . 15678 1
479 . 1 1 48 48 ILE HG13 H 1 1.558 . . 1 . . . . 48 I QG1 . 15678 1
480 . 1 1 48 48 ILE HG21 H 1 0.675 . . 1 . . . . 48 I QG2 . 15678 1
481 . 1 1 48 48 ILE HG22 H 1 0.675 . . 1 . . . . 48 I QG2 . 15678 1
482 . 1 1 48 48 ILE HG23 H 1 0.675 . . 1 . . . . 48 I QG2 . 15678 1
483 . 1 1 48 48 ILE C C 13 175.559 . . 1 . . . . 48 I C . 15678 1
484 . 1 1 48 48 ILE CA C 13 60.937 . . 1 . . . . 48 I CA . 15678 1
485 . 1 1 48 48 ILE CB C 13 37.515 . . 1 . . . . 48 I CB . 15678 1
486 . 1 1 48 48 ILE CD1 C 13 14.499 . . 1 . . . . 48 I CD1 . 15678 1
487 . 1 1 48 48 ILE CG1 C 13 27.116 . . 1 . . . . 48 I CG1 . 15678 1
488 . 1 1 48 48 ILE CG2 C 13 17.047 . . 1 . . . . 48 I CG2 . 15678 1
489 . 1 1 48 48 ILE N N 15 121.669 . . 1 . . . . 48 I N . 15678 1
490 . 1 1 49 49 GLU H H 1 8.682 . . 1 . . . . 49 E H . 15678 1
491 . 1 1 49 49 GLU HA H 1 4.017 . . 1 . . . . 49 E HA . 15678 1
492 . 1 1 49 49 GLU HB2 H 1 1.955 . . 2 . . . . 49 E QB . 15678 1
493 . 1 1 49 49 GLU HB3 H 1 1.955 . . 2 . . . . 49 E QB . 15678 1
494 . 1 1 49 49 GLU HG2 H 1 2.207 . . 2 . . . . 49 E QG . 15678 1
495 . 1 1 49 49 GLU HG3 H 1 2.207 . . 2 . . . . 49 E QG . 15678 1
496 . 1 1 49 49 GLU C C 13 176.607 . . 1 . . . . 49 E C . 15678 1
497 . 1 1 49 49 GLU CA C 13 57.934 . . 1 . . . . 49 E CA . 15678 1
498 . 1 1 49 49 GLU CB C 13 29.197 . . 1 . . . . 49 E CB . 15678 1
499 . 1 1 49 49 GLU CG C 13 35.905 . . 1 . . . . 49 E CG . 15678 1
500 . 1 1 49 49 GLU N N 15 130.656 . . 1 . . . . 49 E N . 15678 1
501 . 1 1 50 50 GLY H H 1 8.888 . . 1 . . . . 50 G H . 15678 1
502 . 1 1 50 50 GLY HA2 H 1 4.274 . . 2 . . . . 50 G HA2 . 15678 1
503 . 1 1 50 50 GLY HA3 H 1 3.419 . . 2 . . . . 50 G HA3 . 15678 1
504 . 1 1 50 50 GLY C C 13 174.001 . . 1 . . . . 50 G C . 15678 1
505 . 1 1 50 50 GLY CA C 13 44.804 . . 1 . . . . 50 G CA . 15678 1
506 . 1 1 50 50 GLY N N 15 113.851 . . 1 . . . . 50 G N . 15678 1
507 . 1 1 51 51 VAL H H 1 7.318 . . 1 . . . . 51 V H . 15678 1
508 . 1 1 51 51 VAL HA H 1 3.568 . . 1 . . . . 51 V HA . 15678 1
509 . 1 1 51 51 VAL HB H 1 2.027 . . 1 . . . . 51 V HB . 15678 1
510 . 1 1 51 51 VAL HG11 H 1 0.701 . . 1 . . . . 51 V QG1 . 15678 1
511 . 1 1 51 51 VAL HG12 H 1 0.701 . . 1 . . . . 51 V QG1 . 15678 1
512 . 1 1 51 51 VAL HG13 H 1 0.701 . . 1 . . . . 51 V QG1 . 15678 1
513 . 1 1 51 51 VAL HG21 H 1 0.268 . . 1 . . . . 51 V QG2 . 15678 1
514 . 1 1 51 51 VAL HG22 H 1 0.268 . . 1 . . . . 51 V QG2 . 15678 1
515 . 1 1 51 51 VAL HG23 H 1 0.268 . . 1 . . . . 51 V QG2 . 15678 1
516 . 1 1 51 51 VAL C C 13 174.683 . . 1 . . . . 51 V C . 15678 1
517 . 1 1 51 51 VAL CA C 13 64.701 . . 1 . . . . 51 V CA . 15678 1
518 . 1 1 51 51 VAL CB C 13 31.347 . . 1 . . . . 51 V CB . 15678 1
519 . 1 1 51 51 VAL CG1 C 13 22.077 . . 2 . . . . 51 V CG1 . 15678 1
520 . 1 1 51 51 VAL CG2 C 13 20.354 . . 2 . . . . 51 V CG2 . 15678 1
521 . 1 1 51 51 VAL N N 15 120.558 . . 1 . . . . 51 V N . 15678 1
522 . 1 1 52 52 LYS H H 1 9.071 . . 1 . . . . 52 K H . 15678 1
523 . 1 1 52 52 LYS HA H 1 4.526 . . 1 . . . . 52 K HA . 15678 1
524 . 1 1 52 52 LYS HB2 H 1 1.464 . . 2 . . . . 52 K QB . 15678 1
525 . 1 1 52 52 LYS HB3 H 1 1.464 . . 2 . . . . 52 K QB . 15678 1
526 . 1 1 52 52 LYS HE2 H 1 2.943 . . 2 . . . . 52 K QE . 15678 1
527 . 1 1 52 52 LYS HE3 H 1 2.943 . . 2 . . . . 52 K QE . 15678 1
528 . 1 1 52 52 LYS HG2 H 1 1.410 . . 2 . . . . 52 K HG2 . 15678 1
529 . 1 1 52 52 LYS HG3 H 1 1.191 . . 2 . . . . 52 K HG3 . 15678 1
530 . 1 1 52 52 LYS C C 13 175.607 . . 1 . . . . 52 K C . 15678 1
531 . 1 1 52 52 LYS CA C 13 57.735 . . 1 . . . . 52 K CA . 15678 1
532 . 1 1 52 52 LYS CB C 13 35.848 . . 1 . . . . 52 K CB . 15678 1
533 . 1 1 52 52 LYS CD C 13 29.784 . . 1 . . . . 52 K CD . 15678 1
534 . 1 1 52 52 LYS CE C 13 41.817 . . 1 . . . . 52 K CE . 15678 1
535 . 1 1 52 52 LYS CG C 13 24.790 . . 1 . . . . 52 K CG . 15678 1
536 . 1 1 52 52 LYS N N 15 130.785 . . 1 . . . . 52 K N . 15678 1
537 . 1 1 53 53 SER H H 1 7.778 . . 1 . . . . 53 S H . 15678 1
538 . 1 1 53 53 SER HA H 1 5.190 . . 1 . . . . 53 S HA . 15678 1
539 . 1 1 53 53 SER HB2 H 1 3.900 . . 2 . . . . 53 S QB . 15678 1
540 . 1 1 53 53 SER HB3 H 1 3.900 . . 2 . . . . 53 S QB . 15678 1
541 . 1 1 53 53 SER C C 13 172.338 . . 1 . . . . 53 S C . 15678 1
542 . 1 1 53 53 SER CA C 13 57.796 . . 1 . . . . 53 S CA . 15678 1
543 . 1 1 53 53 SER CB C 13 64.534 . . 1 . . . . 53 S CB . 15678 1
544 . 1 1 53 53 SER N N 15 109.614 . . 1 . . . . 53 S N . 15678 1
545 . 1 1 54 54 ILE H H 1 9.048 . . 1 . . . . 54 I H . 15678 1
546 . 1 1 54 54 ILE HA H 1 5.169 . . 1 . . . . 54 I HA . 15678 1
547 . 1 1 54 54 ILE HB H 1 1.731 . . 1 . . . . 54 I HB . 15678 1
548 . 1 1 54 54 ILE HG12 H 1 1.281 . . 2 . . . . 54 I HG12 . 15678 1
549 . 1 1 54 54 ILE HG13 H 1 0.849 . . 2 . . . . 54 I HG13 . 15678 1
550 . 1 1 54 54 ILE HG21 H 1 0.860 . . 1 . . . . 54 I QG2 . 15678 1
551 . 1 1 54 54 ILE HG22 H 1 0.860 . . 1 . . . . 54 I QG2 . 15678 1
552 . 1 1 54 54 ILE HG23 H 1 0.860 . . 1 . . . . 54 I QG2 . 15678 1
553 . 1 1 54 54 ILE C C 13 173.301 . . 1 . . . . 54 I C . 15678 1
554 . 1 1 54 54 ILE CA C 13 60.818 . . 1 . . . . 54 I CA . 15678 1
555 . 1 1 54 54 ILE CB C 13 43.567 . . 1 . . . . 54 I CB . 15678 1
556 . 1 1 54 54 ILE CD1 C 13 15.209 . . 1 . . . . 54 I CD1 . 15678 1
557 . 1 1 54 54 ILE CG1 C 13 28.266 . . 1 . . . . 54 I CG1 . 15678 1
558 . 1 1 54 54 ILE CG2 C 13 18.331 . . 1 . . . . 54 I CG2 . 15678 1
559 . 1 1 54 54 ILE N N 15 121.089 . . 1 . . . . 54 I N . 15678 1
560 . 1 1 55 55 PHE H H 1 9.186 . . 1 . . . . 55 F H . 15678 1
561 . 1 1 55 55 PHE HA H 1 5.670 . . 1 . . . . 55 F HA . 15678 1
562 . 1 1 55 55 PHE HB2 H 1 3.192 . . 2 . . . . 55 F QB . 15678 1
563 . 1 1 55 55 PHE HB3 H 1 3.192 . . 2 . . . . 55 F QB . 15678 1
564 . 1 1 55 55 PHE C C 13 173.658 . . 1 . . . . 55 F C . 15678 1
565 . 1 1 55 55 PHE CA C 13 56.053 . . 1 . . . . 55 F CA . 15678 1
566 . 1 1 55 55 PHE CB C 13 41.660 . . 1 . . . . 55 F CB . 15678 1
567 . 1 1 55 55 PHE N N 15 129.754 . . 1 . . . . 55 F N . 15678 1
568 . 1 1 56 56 TYR H H 1 8.704 . . 1 . . . . 56 Y H . 15678 1
569 . 1 1 56 56 TYR HA H 1 5.691 . . 1 . . . . 56 Y HA . 15678 1
570 . 1 1 56 56 TYR HB2 H 1 3.243 . . 2 . . . . 56 Y HB2 . 15678 1
571 . 1 1 56 56 TYR HB3 H 1 2.866 . . 2 . . . . 56 Y HB3 . 15678 1
572 . 1 1 56 56 TYR HD1 H 1 7.453 . . 3 . . . . 56 Y QD . 15678 1
573 . 1 1 56 56 TYR HD2 H 1 7.453 . . 3 . . . . 56 Y QD . 15678 1
574 . 1 1 56 56 TYR HE1 H 1 6.759 . . 3 . . . . 56 Y QE . 15678 1
575 . 1 1 56 56 TYR HE2 H 1 6.759 . . 3 . . . . 56 Y QE . 15678 1
576 . 1 1 56 56 TYR C C 13 172.941 . . 1 . . . . 56 Y C . 15678 1
577 . 1 1 56 56 TYR CA C 13 53.313 . . 1 . . . . 56 Y CA . 15678 1
578 . 1 1 56 56 TYR CB C 13 42.232 . . 1 . . . . 56 Y CB . 15678 1
579 . 1 1 56 56 TYR CD1 C 13 129.373 . . 3 . . . . 56 Y CD1 . 15678 1
580 . 1 1 56 56 TYR N N 15 128.135 . . 1 . . . . 56 Y N . 15678 1
581 . 1 1 57 57 VAL H H 1 8.269 . . 1 . . . . 57 V H . 15678 1
582 . 1 1 57 57 VAL HA H 1 3.959 . . 1 . . . . 57 V HA . 15678 1
583 . 1 1 57 57 VAL HB H 1 1.491 . . 1 . . . . 57 V HB . 15678 1
584 . 1 1 57 57 VAL HG11 H 1 0.869 . . 1 . . . . 57 V QG1 . 15678 1
585 . 1 1 57 57 VAL HG12 H 1 0.869 . . 1 . . . . 57 V QG1 . 15678 1
586 . 1 1 57 57 VAL HG13 H 1 0.869 . . 1 . . . . 57 V QG1 . 15678 1
587 . 1 1 57 57 VAL HG21 H 1 0.364 . . 1 . . . . 57 V QG2 . 15678 1
588 . 1 1 57 57 VAL HG22 H 1 0.364 . . 1 . . . . 57 V QG2 . 15678 1
589 . 1 1 57 57 VAL HG23 H 1 0.364 . . 1 . . . . 57 V QG2 . 15678 1
590 . 1 1 57 57 VAL C C 13 169.379 . . 1 . . . . 57 V C . 15678 1
591 . 1 1 57 57 VAL CA C 13 60.144 . . 1 . . . . 57 V CA . 15678 1
592 . 1 1 57 57 VAL CB C 13 34.017 . . 1 . . . . 57 V CB . 15678 1
593 . 1 1 57 57 VAL CG1 C 13 22.238 . . 2 . . . . 57 V CG1 . 15678 1
594 . 1 1 57 57 VAL CG2 C 13 21.016 . . 2 . . . . 57 V CG2 . 15678 1
595 . 1 1 57 57 VAL N N 15 129.474 . . 1 . . . . 57 V N . 15678 1
596 . 1 1 58 58 LEU H H 1 8.807 . . 1 . . . . 58 L H . 15678 1
597 . 1 1 58 58 LEU HA H 1 3.714 . . 1 . . . . 58 L HA . 15678 1
598 . 1 1 58 58 LEU HB2 H 1 1.761 . . 2 . . . . 58 L HB2 . 15678 1
599 . 1 1 58 58 LEU HB3 H 1 1.610 . . 2 . . . . 58 L HB3 . 15678 1
600 . 1 1 58 58 LEU HD11 H 1 0.984 . . 1 . . . . 58 L QD1 . 15678 1
601 . 1 1 58 58 LEU HD12 H 1 0.984 . . 1 . . . . 58 L QD1 . 15678 1
602 . 1 1 58 58 LEU HD13 H 1 0.984 . . 1 . . . . 58 L QD1 . 15678 1
603 . 1 1 58 58 LEU HD21 H 1 0.931 . . 1 . . . . 58 L QD2 . 15678 1
604 . 1 1 58 58 LEU HD22 H 1 0.931 . . 1 . . . . 58 L QD2 . 15678 1
605 . 1 1 58 58 LEU HD23 H 1 0.931 . . 1 . . . . 58 L QD2 . 15678 1
606 . 1 1 58 58 LEU HG H 1 1.702 . . 1 . . . . 58 L HG . 15678 1
607 . 1 1 58 58 LEU C C 13 174.433 . . 1 . . . . 58 L C . 15678 1
608 . 1 1 58 58 LEU CA C 13 56.753 . . 1 . . . . 58 L CA . 15678 1
609 . 1 1 58 58 LEU CB C 13 41.098 . . 1 . . . . 58 L CB . 15678 1
610 . 1 1 58 58 LEU CD1 C 13 25.191 . . 2 . . . . 58 L CD1 . 15678 1
611 . 1 1 58 58 LEU CD2 C 13 23.636 . . 2 . . . . 58 L CD2 . 15678 1
612 . 1 1 58 58 LEU CG C 13 27.279 . . 1 . . . . 58 L CG . 15678 1
613 . 1 1 58 58 LEU N N 15 121.980 . . 1 . . . . 58 L N . 15678 1
614 . 1 1 59 59 ASP H H 1 8.549 . . 1 . . . . 59 D H . 15678 1
615 . 1 1 59 59 ASP HA H 1 4.875 . . 1 . . . . 59 D HA . 15678 1
616 . 1 1 59 59 ASP HB2 H 1 3.238 . . 2 . . . . 59 D HB2 . 15678 1
617 . 1 1 59 59 ASP HB3 H 1 2.037 . . 2 . . . . 59 D HB3 . 15678 1
618 . 1 1 59 59 ASP C C 13 174.191 . . 1 . . . . 59 D C . 15678 1
619 . 1 1 59 59 ASP CA C 13 51.853 . . 1 . . . . 59 D CA . 15678 1
620 . 1 1 59 59 ASP CB C 13 40.239 . . 1 . . . . 59 D CB . 15678 1
621 . 1 1 59 59 ASP N N 15 121.379 . . 1 . . . . 59 D N . 15678 1
622 . 1 1 60 60 PHE H H 1 9.034 . . 1 . . . . 60 F H . 15678 1
623 . 1 1 60 60 PHE HA H 1 5.693 . . 1 . . . . 60 F HA . 15678 1
624 . 1 1 60 60 PHE HB2 H 1 3.130 . . 2 . . . . 60 F HB2 . 15678 1
625 . 1 1 60 60 PHE HB3 H 1 2.899 . . 2 . . . . 60 F HB3 . 15678 1
626 . 1 1 60 60 PHE HD1 H 1 7.187 . . 3 . . . . 60 F QD . 15678 1
627 . 1 1 60 60 PHE HD2 H 1 7.187 . . 3 . . . . 60 F QD . 15678 1
628 . 1 1 60 60 PHE C C 13 172.951 . . 1 . . . . 60 F C . 15678 1
629 . 1 1 60 60 PHE CA C 13 57.072 . . 1 . . . . 60 F CA . 15678 1
630 . 1 1 60 60 PHE CB C 13 42.169 . . 1 . . . . 60 F CB . 15678 1
631 . 1 1 60 60 PHE CD1 C 13 129.578 . . 3 . . . . 60 F CD1 . 15678 1
632 . 1 1 60 60 PHE N N 15 116.831 . . 1 . . . . 60 F N . 15678 1
633 . 1 1 61 61 ILE H H 1 8.757 . . 1 . . . . 61 I H . 15678 1
634 . 1 1 61 61 ILE HA H 1 5.814 . . 1 . . . . 61 I HA . 15678 1
635 . 1 1 61 61 ILE HB H 1 1.737 . . 1 . . . . 61 I HB . 15678 1
636 . 1 1 61 61 ILE HD11 H 1 0.871 . . 1 . . . . 61 I QD1 . 15678 1
637 . 1 1 61 61 ILE HD12 H 1 0.871 . . 1 . . . . 61 I QD1 . 15678 1
638 . 1 1 61 61 ILE HD13 H 1 0.871 . . 1 . . . . 61 I QD1 . 15678 1
639 . 1 1 61 61 ILE HG12 H 1 1.806 . . 2 . . . . 61 I HG12 . 15678 1
640 . 1 1 61 61 ILE HG13 H 1 1.219 . . 2 . . . . 61 I HG13 . 15678 1
641 . 1 1 61 61 ILE HG21 H 1 0.847 . . 1 . . . . 61 I QG2 . 15678 1
642 . 1 1 61 61 ILE HG22 H 1 0.847 . . 1 . . . . 61 I QG2 . 15678 1
643 . 1 1 61 61 ILE HG23 H 1 0.847 . . 1 . . . . 61 I QG2 . 15678 1
644 . 1 1 61 61 ILE C C 13 175.626 . . 1 . . . . 61 I C . 15678 1
645 . 1 1 61 61 ILE CA C 13 58.111 . . 1 . . . . 61 I CA . 15678 1
646 . 1 1 61 61 ILE CB C 13 41.143 . . 1 . . . . 61 I CB . 15678 1
647 . 1 1 61 61 ILE CD1 C 13 14.464 . . 1 . . . . 61 I CD1 . 15678 1
648 . 1 1 61 61 ILE CG1 C 13 26.186 . . 1 . . . . 61 I CG1 . 15678 1
649 . 1 1 61 61 ILE CG2 C 13 18.760 . . 1 . . . . 61 I CG2 . 15678 1
650 . 1 1 61 61 ILE N N 15 109.598 . . 1 . . . . 61 I N . 15678 1
651 . 1 1 62 62 SER H H 1 9.728 . . 1 . . . . 62 S H . 15678 1
652 . 1 1 62 62 SER HA H 1 5.496 . . 1 . . . . 62 S HA . 15678 1
653 . 1 1 62 62 SER HB2 H 1 3.871 . . 2 . . . . 62 S QB . 15678 1
654 . 1 1 62 62 SER HB3 H 1 3.871 . . 2 . . . . 62 S QB . 15678 1
655 . 1 1 62 62 SER C C 13 174.703 . . 1 . . . . 62 S C . 15678 1
656 . 1 1 62 62 SER CA C 13 56.703 . . 1 . . . . 62 S CA . 15678 1
657 . 1 1 62 62 SER CB C 13 64.316 . . 1 . . . . 62 S CB . 15678 1
658 . 1 1 62 62 SER N N 15 119.961 . . 1 . . . . 62 S N . 15678 1
659 . 1 1 63 63 ILE H H 1 9.463 . . 1 . . . . 63 I H . 15678 1
660 . 1 1 63 63 ILE HA H 1 4.732 . . 1 . . . . 63 I HA . 15678 1
661 . 1 1 63 63 ILE HB H 1 1.902 . . 1 . . . . 63 I HB . 15678 1
662 . 1 1 63 63 ILE HG21 H 1 0.983 . . 1 . . . . 63 I QG2 . 15678 1
663 . 1 1 63 63 ILE HG22 H 1 0.983 . . 1 . . . . 63 I QG2 . 15678 1
664 . 1 1 63 63 ILE HG23 H 1 0.983 . . 1 . . . . 63 I QG2 . 15678 1
665 . 1 1 63 63 ILE C C 13 173.944 . . 1 . . . . 63 I C . 15678 1
666 . 1 1 63 63 ILE CA C 13 60.654 . . 1 . . . . 63 I CA . 15678 1
667 . 1 1 63 63 ILE CB C 13 41.392 . . 1 . . . . 63 I CB . 15678 1
668 . 1 1 63 63 ILE CD1 C 13 15.120 . . 1 . . . . 63 I CD1 . 15678 1
669 . 1 1 63 63 ILE CG1 C 13 27.440 . . 1 . . . . 63 I CG1 . 15678 1
670 . 1 1 63 63 ILE CG2 C 13 17.349 . . 1 . . . . 63 I CG2 . 15678 1
671 . 1 1 63 63 ILE N N 15 127.610 . . 1 . . . . 63 I N . 15678 1
672 . 1 1 64 64 ASP H H 1 9.264 . . 1 . . . . 64 D H . 15678 1
673 . 1 1 64 64 ASP HA H 1 6.139 . . 1 . . . . 64 D HA . 15678 1
674 . 1 1 64 64 ASP HB2 H 1 2.813 . . 2 . . . . 64 D HB2 . 15678 1
675 . 1 1 64 64 ASP HB3 H 1 2.421 . . 2 . . . . 64 D HB3 . 15678 1
676 . 1 1 64 64 ASP C C 13 176.265 . . 1 . . . . 64 D C . 15678 1
677 . 1 1 64 64 ASP CA C 13 52.087 . . 1 . . . . 64 D CA . 15678 1
678 . 1 1 64 64 ASP CB C 13 41.563 . . 1 . . . . 64 D CB . 15678 1
679 . 1 1 64 64 ASP N N 15 127.540 . . 1 . . . . 64 D N . 15678 1
680 . 1 1 65 65 LYS H H 1 9.026 . . 1 . . . . 65 K H . 15678 1
681 . 1 1 65 65 LYS HA H 1 5.154 . . 1 . . . . 65 K HA . 15678 1
682 . 1 1 65 65 LYS HB2 H 1 0.958 . . 2 . . . . 65 K QB . 15678 1
683 . 1 1 65 65 LYS HB3 H 1 0.958 . . 2 . . . . 65 K QB . 15678 1
684 . 1 1 65 65 LYS HG2 H 1 0.424 . . 2 . . . . 65 K QG . 15678 1
685 . 1 1 65 65 LYS HG3 H 1 0.424 . . 2 . . . . 65 K QG . 15678 1
686 . 1 1 65 65 LYS C C 13 175.955 . . 1 . . . . 65 K C . 15678 1
687 . 1 1 65 65 LYS CA C 13 52.694 . . 1 . . . . 65 K CA . 15678 1
688 . 1 1 65 65 LYS CB C 13 35.768 . . 1 . . . . 65 K CB . 15678 1
689 . 1 1 65 65 LYS N N 15 120.570 . . 1 . . . . 65 K N . 15678 1
690 . 1 1 66 66 GLU H H 1 8.105 . . 1 . . . . 66 E H . 15678 1
691 . 1 1 66 66 GLU HA H 1 4.198 . . 1 . . . . 66 E HA . 15678 1
692 . 1 1 66 66 GLU HB2 H 1 2.048 . . 2 . . . . 66 E QB . 15678 1
693 . 1 1 66 66 GLU HB3 H 1 2.048 . . 2 . . . . 66 E QB . 15678 1
694 . 1 1 66 66 GLU HG2 H 1 2.339 . . 2 . . . . 66 E QG . 15678 1
695 . 1 1 66 66 GLU HG3 H 1 2.339 . . 2 . . . . 66 E QG . 15678 1
696 . 1 1 66 66 GLU C C 13 178.596 . . 1 . . . . 66 E C . 15678 1
697 . 1 1 66 66 GLU CA C 13 55.757 . . 1 . . . . 66 E CA . 15678 1
698 . 1 1 66 66 GLU CB C 13 30.317 . . 1 . . . . 66 E CB . 15678 1
699 . 1 1 66 66 GLU CG C 13 35.188 . . 1 . . . . 66 E CG . 15678 1
700 . 1 1 66 66 GLU N N 15 118.563 . . 1 . . . . 66 E N . 15678 1
701 . 1 1 67 67 ASP H H 1 8.947 . . 1 . . . . 67 D H . 15678 1
702 . 1 1 67 67 ASP HA H 1 4.742 . . 1 . . . . 67 D HA . 15678 1
703 . 1 1 67 67 ASP HB2 H 1 2.589 . . 2 . . . . 67 D QB . 15678 1
704 . 1 1 67 67 ASP HB3 H 1 2.589 . . 2 . . . . 67 D QB . 15678 1
705 . 1 1 67 67 ASP C C 13 177.242 . . 1 . . . . 67 D C . 15678 1
706 . 1 1 67 67 ASP CA C 13 57.874 . . 1 . . . . 67 D CA . 15678 1
707 . 1 1 67 67 ASP CB C 13 40.998 . . 1 . . . . 67 D CB . 15678 1
708 . 1 1 67 67 ASP N N 15 123.378 . . 1 . . . . 67 D N . 15678 1
709 . 1 1 68 68 ASN H H 1 8.174 . . 1 . . . . 68 N H . 15678 1
710 . 1 1 68 68 ASN HA H 1 4.551 . . 1 . . . . 68 N HA . 15678 1
711 . 1 1 68 68 ASN HB2 H 1 2.810 . . 2 . . . . 68 N HB2 . 15678 1
712 . 1 1 68 68 ASN HB3 H 1 2.616 . . 2 . . . . 68 N HB3 . 15678 1
713 . 1 1 68 68 ASN C C 13 175.246 . . 1 . . . . 68 N C . 15678 1
714 . 1 1 68 68 ASN CA C 13 53.013 . . 1 . . . . 68 N CA . 15678 1
715 . 1 1 68 68 ASN CB C 13 37.929 . . 1 . . . . 68 N CB . 15678 1
716 . 1 1 68 68 ASN N N 15 111.133 . . 1 . . . . 68 N N . 15678 1
717 . 1 1 69 69 ALA H H 1 7.204 . . 1 . . . . 69 A H . 15678 1
718 . 1 1 69 69 ALA HA H 1 4.430 . . 1 . . . . 69 A HA . 15678 1
719 . 1 1 69 69 ALA HB1 H 1 1.273 . . 1 . . . . 69 A QB . 15678 1
720 . 1 1 69 69 ALA HB2 H 1 1.273 . . 1 . . . . 69 A QB . 15678 1
721 . 1 1 69 69 ALA HB3 H 1 1.273 . . 1 . . . . 69 A QB . 15678 1
722 . 1 1 69 69 ALA C C 13 175.802 . . 1 . . . . 69 A C . 15678 1
723 . 1 1 69 69 ALA CA C 13 50.954 . . 1 . . . . 69 A CA . 15678 1
724 . 1 1 69 69 ALA CB C 13 20.234 . . 1 . . . . 69 A CB . 15678 1
725 . 1 1 69 69 ALA N N 15 122.453 . . 1 . . . . 69 A N . 15678 1
726 . 1 1 70 70 ASN H H 1 9.005 . . 1 . . . . 70 N H . 15678 1
727 . 1 1 70 70 ASN HA H 1 5.008 . . 1 . . . . 70 N HA . 15678 1
728 . 1 1 70 70 ASN HB2 H 1 2.846 . . 2 . . . . 70 N HB2 . 15678 1
729 . 1 1 70 70 ASN HB3 H 1 2.700 . . 2 . . . . 70 N HB3 . 15678 1
730 . 1 1 70 70 ASN HD21 H 1 6.988 . . 2 . . . . 70 N HD21 . 15678 1
731 . 1 1 70 70 ASN HD22 H 1 7.711 . . 2 . . . . 70 N HD22 . 15678 1
732 . 1 1 70 70 ASN C C 13 176.841 . . 1 . . . . 70 N C . 15678 1
733 . 1 1 70 70 ASN CA C 13 51.406 . . 1 . . . . 70 N CA . 15678 1
734 . 1 1 70 70 ASN CB C 13 41.539 . . 1 . . . . 70 N CB . 15678 1
735 . 1 1 70 70 ASN N N 15 119.024 . . 1 . . . . 70 N N . 15678 1
736 . 1 1 70 70 ASN ND2 N 15 112.888 . . 1 . . . . 70 N ND2 . 15678 1
737 . 1 1 71 71 TRP H H 1 9.499 . . 1 . . . . 71 W H . 15678 1
738 . 1 1 71 71 TRP HA H 1 4.747 . . 1 . . . . 71 W HA . 15678 1
739 . 1 1 71 71 TRP HB2 H 1 3.276 . . 2 . . . . 71 W QB . 15678 1
740 . 1 1 71 71 TRP HB3 H 1 3.276 . . 2 . . . . 71 W QB . 15678 1
741 . 1 1 71 71 TRP HD1 H 1 7.418 . . 1 . . . . 71 W HD1 . 15678 1
742 . 1 1 71 71 TRP HE1 H 1 9.910 . . 1 . . . . 71 W HE1 . 15678 1
743 . 1 1 71 71 TRP HZ2 H 1 7.492 . . 1 . . . . 71 W HZ2 . 15678 1
744 . 1 1 71 71 TRP C C 13 177.470 . . 1 . . . . 71 W C . 15678 1
745 . 1 1 71 71 TRP CA C 13 61.027 . . 1 . . . . 71 W CA . 15678 1
746 . 1 1 71 71 TRP CB C 13 29.770 . . 1 . . . . 71 W CB . 15678 1
747 . 1 1 71 71 TRP CD1 C 13 124.962 . . 1 . . . . 71 W CD1 . 15678 1
748 . 1 1 71 71 TRP CZ2 C 13 112.301 . . 1 . . . . 71 W CZ2 . 15678 1
749 . 1 1 71 71 TRP N N 15 126.397 . . 1 . . . . 71 W N . 15678 1
750 . 1 1 72 72 ASN H H 1 8.937 . . 1 . . . . 72 N H . 15678 1
751 . 1 1 72 72 ASN HA H 1 4.511 . . 1 . . . . 72 N HA . 15678 1
752 . 1 1 72 72 ASN HB2 H 1 2.834 . . 2 . . . . 72 N QB . 15678 1
753 . 1 1 72 72 ASN HB3 H 1 2.834 . . 2 . . . . 72 N QB . 15678 1
754 . 1 1 72 72 ASN C C 13 176.805 . . 1 . . . . 72 N C . 15678 1
755 . 1 1 72 72 ASN CA C 13 56.024 . . 1 . . . . 72 N CA . 15678 1
756 . 1 1 72 72 ASN CB C 13 37.365 . . 1 . . . . 72 N CB . 15678 1
757 . 1 1 72 72 ASN N N 15 115.692 . . 1 . . . . 72 N N . 15678 1
758 . 1 1 73 73 GLU H H 1 7.357 . . 1 . . . . 73 E H . 15678 1
759 . 1 1 73 73 GLU HA H 1 4.391 . . 1 . . . . 73 E HA . 15678 1
760 . 1 1 73 73 GLU HB2 H 1 2.263 . . 2 . . . . 73 E QB . 15678 1
761 . 1 1 73 73 GLU HB3 H 1 2.263 . . 2 . . . . 73 E QB . 15678 1
762 . 1 1 73 73 GLU HG2 H 1 2.252 . . 2 . . . . 73 E QG . 15678 1
763 . 1 1 73 73 GLU HG3 H 1 2.252 . . 2 . . . . 73 E QG . 15678 1
764 . 1 1 73 73 GLU C C 13 179.215 . . 1 . . . . 73 E C . 15678 1
765 . 1 1 73 73 GLU CA C 13 57.157 . . 1 . . . . 73 E CA . 15678 1
766 . 1 1 73 73 GLU CB C 13 30.612 . . 1 . . . . 73 E CB . 15678 1
767 . 1 1 73 73 GLU CG C 13 36.608 . . 1 . . . . 73 E CG . 15678 1
768 . 1 1 73 73 GLU N N 15 116.213 . . 1 . . . . 73 E N . 15678 1
769 . 1 1 74 74 LEU H H 1 7.984 . . 1 . . . . 74 L H . 15678 1
770 . 1 1 74 74 LEU HA H 1 4.188 . . 1 . . . . 74 L HA . 15678 1
771 . 1 1 74 74 LEU HB2 H 1 1.830 . . 2 . . . . 74 L HB2 . 15678 1
772 . 1 1 74 74 LEU HB3 H 1 1.467 . . 2 . . . . 74 L HB3 . 15678 1
773 . 1 1 74 74 LEU HD11 H 1 0.412 . . 1 . . . . 74 L QD1 . 15678 1
774 . 1 1 74 74 LEU HD12 H 1 0.412 . . 1 . . . . 74 L QD1 . 15678 1
775 . 1 1 74 74 LEU HD13 H 1 0.412 . . 1 . . . . 74 L QD1 . 15678 1
776 . 1 1 74 74 LEU HG H 1 1.546 . . 1 . . . . 74 L HG . 15678 1
777 . 1 1 74 74 LEU C C 13 179.245 . . 1 . . . . 74 L C . 15678 1
778 . 1 1 74 74 LEU CA C 13 58.085 . . 1 . . . . 74 L CA . 15678 1
779 . 1 1 74 74 LEU CB C 13 44.123 . . 1 . . . . 74 L CB . 15678 1
780 . 1 1 74 74 LEU CD1 C 13 25.812 . . 2 . . . . 74 L CD1 . 15678 1
781 . 1 1 74 74 LEU CD2 C 13 24.657 . . 2 . . . . 74 L CD2 . 15678 1
782 . 1 1 74 74 LEU CG C 13 27.242 . . 1 . . . . 74 L CG . 15678 1
783 . 1 1 74 74 LEU N N 15 121.127 . . 1 . . . . 74 L N . 15678 1
784 . 1 1 75 75 LEU H H 1 9.207 . . 1 . . . . 75 L H . 15678 1
785 . 1 1 75 75 LEU HA H 1 4.570 . . 1 . . . . 75 L HA . 15678 1
786 . 1 1 75 75 LEU HB2 H 1 2.080 . . 2 . . . . 75 L HB2 . 15678 1
787 . 1 1 75 75 LEU HB3 H 1 1.647 . . 2 . . . . 75 L HB3 . 15678 1
788 . 1 1 75 75 LEU CA C 13 60.668 . . 1 . . . . 75 L CA . 15678 1
789 . 1 1 75 75 LEU CB C 13 39.050 . . 1 . . . . 75 L CB . 15678 1
790 . 1 1 75 75 LEU N N 15 119.425 . . 1 . . . . 75 L N . 15678 1
791 . 1 1 76 76 PRO HA H 1 4.409 . . 1 . . . . 76 P HA . 15678 1
792 . 1 1 76 76 PRO HB2 H 1 2.356 . . 2 . . . . 76 P HB2 . 15678 1
793 . 1 1 76 76 PRO HB3 H 1 1.791 . . 2 . . . . 76 P HB3 . 15678 1
794 . 1 1 76 76 PRO HD2 H 1 3.617 . . 2 . . . . 76 P HD2 . 15678 1
795 . 1 1 76 76 PRO HD3 H 1 3.501 . . 2 . . . . 76 P HD3 . 15678 1
796 . 1 1 76 76 PRO HG2 H 1 2.116 . . 2 . . . . 76 P HG2 . 15678 1
797 . 1 1 76 76 PRO HG3 H 1 2.004 . . 2 . . . . 76 P HG3 . 15678 1
798 . 1 1 76 76 PRO C C 13 179.797 . . 1 . . . . 76 P C . 15678 1
799 . 1 1 76 76 PRO CA C 13 65.933 . . 1 . . . . 76 P CA . 15678 1
800 . 1 1 76 76 PRO CB C 13 31.047 . . 1 . . . . 76 P CB . 15678 1
801 . 1 1 76 76 PRO CD C 13 50.399 . . 1 . . . . 76 P CD . 15678 1
802 . 1 1 76 76 PRO CG C 13 28.514 . . 1 . . . . 76 P CG . 15678 1
803 . 1 1 77 77 GLN H H 1 6.754 . . 1 . . . . 77 Q H . 15678 1
804 . 1 1 77 77 GLN HA H 1 4.204 . . 1 . . . . 77 Q HA . 15678 1
805 . 1 1 77 77 GLN HB2 H 1 2.224 . . 2 . . . . 77 Q QB . 15678 1
806 . 1 1 77 77 GLN HB3 H 1 2.224 . . 2 . . . . 77 Q QB . 15678 1
807 . 1 1 77 77 GLN HG2 H 1 2.562 . . 2 . . . . 77 Q QG . 15678 1
808 . 1 1 77 77 GLN HG3 H 1 2.562 . . 2 . . . . 77 Q QG . 15678 1
809 . 1 1 77 77 GLN C C 13 179.293 . . 1 . . . . 77 Q C . 15678 1
810 . 1 1 77 77 GLN CA C 13 58.629 . . 1 . . . . 77 Q CA . 15678 1
811 . 1 1 77 77 GLN CB C 13 30.569 . . 1 . . . . 77 Q CB . 15678 1
812 . 1 1 77 77 GLN CG C 13 35.216 . . 1 . . . . 77 Q CG . 15678 1
813 . 1 1 77 77 GLN N N 15 113.763 . . 1 . . . . 77 Q N . 15678 1
814 . 1 1 78 78 ILE H H 1 8.495 . . 1 . . . . 78 I H . 15678 1
815 . 1 1 78 78 ILE HA H 1 3.411 . . 1 . . . . 78 I HA . 15678 1
816 . 1 1 78 78 ILE HB H 1 1.892 . . 1 . . . . 78 I HB . 15678 1
817 . 1 1 78 78 ILE HG21 H 1 0.873 . . 1 . . . . 78 I QG2 . 15678 1
818 . 1 1 78 78 ILE HG22 H 1 0.873 . . 1 . . . . 78 I QG2 . 15678 1
819 . 1 1 78 78 ILE HG23 H 1 0.873 . . 1 . . . . 78 I QG2 . 15678 1
820 . 1 1 78 78 ILE C C 13 178.185 . . 1 . . . . 78 I C . 15678 1
821 . 1 1 78 78 ILE CA C 13 65.848 . . 1 . . . . 78 I CA . 15678 1
822 . 1 1 78 78 ILE CB C 13 38.221 . . 1 . . . . 78 I CB . 15678 1
823 . 1 1 78 78 ILE CG1 C 13 29.387 . . 1 . . . . 78 I CG1 . 15678 1
824 . 1 1 78 78 ILE CG2 C 13 15.641 . . 1 . . . . 78 I CG2 . 15678 1
825 . 1 1 78 78 ILE N N 15 123.926 . . 1 . . . . 78 I N . 15678 1
826 . 1 1 79 79 GLU H H 1 8.752 . . 1 . . . . 79 E H . 15678 1
827 . 1 1 79 79 GLU HA H 1 3.917 . . 1 . . . . 79 E HA . 15678 1
828 . 1 1 79 79 GLU HB2 H 1 2.043 . . 2 . . . . 79 E QB . 15678 1
829 . 1 1 79 79 GLU HB3 H 1 2.043 . . 2 . . . . 79 E QB . 15678 1
830 . 1 1 79 79 GLU HG2 H 1 2.363 . . 2 . . . . 79 E QG . 15678 1
831 . 1 1 79 79 GLU HG3 H 1 2.363 . . 2 . . . . 79 E QG . 15678 1
832 . 1 1 79 79 GLU C C 13 179.921 . . 1 . . . . 79 E C . 15678 1
833 . 1 1 79 79 GLU CA C 13 60.407 . . 1 . . . . 79 E CA . 15678 1
834 . 1 1 79 79 GLU CB C 13 29.681 . . 1 . . . . 79 E CB . 15678 1
835 . 1 1 79 79 GLU CG C 13 36.734 . . 1 . . . . 79 E CG . 15678 1
836 . 1 1 79 79 GLU N N 15 119.033 . . 1 . . . . 79 E N . 15678 1
837 . 1 1 80 80 ASN H H 1 8.064 . . 1 . . . . 80 N H . 15678 1
838 . 1 1 80 80 ASN HA H 1 4.547 . . 1 . . . . 80 N HA . 15678 1
839 . 1 1 80 80 ASN HB2 H 1 2.879 . . 2 . . . . 80 N QB . 15678 1
840 . 1 1 80 80 ASN HB3 H 1 2.879 . . 2 . . . . 80 N QB . 15678 1
841 . 1 1 80 80 ASN C C 13 177.064 . . 1 . . . . 80 N C . 15678 1
842 . 1 1 80 80 ASN CA C 13 55.810 . . 1 . . . . 80 N CA . 15678 1
843 . 1 1 80 80 ASN CB C 13 38.614 . . 1 . . . . 80 N CB . 15678 1
844 . 1 1 80 80 ASN N N 15 117.149 . . 1 . . . . 80 N N . 15678 1
845 . 1 1 81 81 THR H H 1 7.889 . . 1 . . . . 81 T H . 15678 1
846 . 1 1 81 81 THR HA H 1 3.869 . . 1 . . . . 81 T HA . 15678 1
847 . 1 1 81 81 THR HB H 1 4.130 . . 1 . . . . 81 T HB . 15678 1
848 . 1 1 81 81 THR HG21 H 1 0.902 . . 1 . . . . 81 T QG2 . 15678 1
849 . 1 1 81 81 THR HG22 H 1 0.902 . . 1 . . . . 81 T QG2 . 15678 1
850 . 1 1 81 81 THR HG23 H 1 0.902 . . 1 . . . . 81 T QG2 . 15678 1
851 . 1 1 81 81 THR C C 13 175.771 . . 1 . . . . 81 T C . 15678 1
852 . 1 1 81 81 THR CA C 13 66.522 . . 1 . . . . 81 T CA . 15678 1
853 . 1 1 81 81 THR CB C 13 68.487 . . 1 . . . . 81 T CB . 15678 1
854 . 1 1 81 81 THR CG2 C 13 21.639 . . 1 . . . . 81 T CG2 . 15678 1
855 . 1 1 81 81 THR N N 15 115.042 . . 1 . . . . 81 T N . 15678 1
856 . 1 1 82 82 PHE H H 1 7.510 . . 1 . . . . 82 F H . 15678 1
857 . 1 1 82 82 PHE HA H 1 4.259 . . 1 . . . . 82 F HA . 15678 1
858 . 1 1 82 82 PHE HB2 H 1 3.252 . . 2 . . . . 82 F HB2 . 15678 1
859 . 1 1 82 82 PHE HB3 H 1 2.853 . . 2 . . . . 82 F HB3 . 15678 1
860 . 1 1 82 82 PHE HD1 H 1 7.245 . . 3 . . . . 82 F QD . 15678 1
861 . 1 1 82 82 PHE HD2 H 1 7.245 . . 3 . . . . 82 F QD . 15678 1
862 . 1 1 82 82 PHE C C 13 176.596 . . 1 . . . . 82 F C . 15678 1
863 . 1 1 82 82 PHE CA C 13 60.309 . . 1 . . . . 82 F CA . 15678 1
864 . 1 1 82 82 PHE CB C 13 39.645 . . 1 . . . . 82 F CB . 15678 1
865 . 1 1 82 82 PHE N N 15 119.325 . . 1 . . . . 82 F N . 15678 1
866 . 1 1 83 83 ALA H H 1 7.809 . . 1 . . . . 83 A H . 15678 1
867 . 1 1 83 83 ALA HA H 1 4.283 . . 1 . . . . 83 A HA . 15678 1
868 . 1 1 83 83 ALA HB1 H 1 1.496 . . 1 . . . . 83 A QB . 15678 1
869 . 1 1 83 83 ALA HB2 H 1 1.496 . . 1 . . . . 83 A QB . 15678 1
870 . 1 1 83 83 ALA HB3 H 1 1.496 . . 1 . . . . 83 A QB . 15678 1
871 . 1 1 83 83 ALA C C 13 178.843 . . 1 . . . . 83 A C . 15678 1
872 . 1 1 83 83 ALA CA C 13 54.045 . . 1 . . . . 83 A CA . 15678 1
873 . 1 1 83 83 ALA CB C 13 18.895 . . 1 . . . . 83 A CB . 15678 1
874 . 1 1 83 83 ALA N N 15 122.718 . . 1 . . . . 83 A N . 15678 1
875 . 1 1 84 84 LYS H H 1 8.154 . . 1 . . . . 84 K H . 15678 1
876 . 1 1 84 84 LYS HA H 1 4.209 . . 1 . . . . 84 K HA . 15678 1
877 . 1 1 84 84 LYS HB2 H 1 1.810 . . 2 . . . . 84 K QB . 15678 1
878 . 1 1 84 84 LYS HB3 H 1 1.810 . . 2 . . . . 84 K QB . 15678 1
879 . 1 1 84 84 LYS HE2 H 1 2.899 . . 2 . . . . 84 K QE . 15678 1
880 . 1 1 84 84 LYS HE3 H 1 2.899 . . 2 . . . . 84 K QE . 15678 1
881 . 1 1 84 84 LYS HG2 H 1 1.443 . . 2 . . . . 84 K HG2 . 15678 1
882 . 1 1 84 84 LYS C C 13 177.359 . . 1 . . . . 84 K C . 15678 1
883 . 1 1 84 84 LYS CA C 13 57.244 . . 1 . . . . 84 K CA . 15678 1
884 . 1 1 84 84 LYS CB C 13 32.663 . . 1 . . . . 84 K CB . 15678 1
885 . 1 1 84 84 LYS CD C 13 28.980 . . 1 . . . . 84 K CD . 15678 1
886 . 1 1 84 84 LYS CE C 13 41.938 . . 1 . . . . 84 K CE . 15678 1
887 . 1 1 84 84 LYS CG C 13 25.017 . . 1 . . . . 84 K CG . 15678 1
888 . 1 1 84 84 LYS N N 15 118.786 . . 1 . . . . 84 K N . 15678 1
889 . 1 1 85 85 SER H H 1 8.008 . . 1 . . . . 85 S H . 15678 1
890 . 1 1 85 85 SER HA H 1 4.346 . . 1 . . . . 85 S HA . 15678 1
891 . 1 1 85 85 SER HB2 H 1 3.845 . . 2 . . . . 85 S QB . 15678 1
892 . 1 1 85 85 SER HB3 H 1 3.845 . . 2 . . . . 85 S QB . 15678 1
893 . 1 1 85 85 SER C C 13 174.538 . . 1 . . . . 85 S C . 15678 1
894 . 1 1 85 85 SER CA C 13 59.102 . . 1 . . . . 85 S CA . 15678 1
895 . 1 1 85 85 SER CB C 13 63.579 . . 1 . . . . 85 S CB . 15678 1
896 . 1 1 85 85 SER N N 15 115.315 . . 1 . . . . 85 S N . 15678 1
897 . 1 1 86 86 ASN H H 1 8.219 . . 1 . . . . 86 N H . 15678 1
898 . 1 1 86 86 ASN HA H 1 4.713 . . 1 . . . . 86 N HA . 15678 1
899 . 1 1 86 86 ASN HB2 H 1 2.795 . . 2 . . . . 86 N QB . 15678 1
900 . 1 1 86 86 ASN HB3 H 1 2.795 . . 2 . . . . 86 N QB . 15678 1
901 . 1 1 86 86 ASN C C 13 175.351 . . 1 . . . . 86 N C . 15678 1
902 . 1 1 86 86 ASN CA C 13 53.706 . . 1 . . . . 86 N CA . 15678 1
903 . 1 1 86 86 ASN CB C 13 38.902 . . 1 . . . . 86 N CB . 15678 1
904 . 1 1 86 86 ASN N N 15 120.040 . . 1 . . . . 86 N N . 15678 1
905 . 1 1 87 87 LEU H H 1 8.011 . . 1 . . . . 87 L H . 15678 1
906 . 1 1 87 87 LEU HA H 1 4.206 . . 1 . . . . 87 L HA . 15678 1
907 . 1 1 87 87 LEU HB2 H 1 1.561 . . 2 . . . . 87 L QB . 15678 1
908 . 1 1 87 87 LEU HB3 H 1 1.561 . . 2 . . . . 87 L QB . 15678 1
909 . 1 1 87 87 LEU C C 13 177.488 . . 1 . . . . 87 L C . 15678 1
910 . 1 1 87 87 LEU CA C 13 55.714 . . 1 . . . . 87 L CA . 15678 1
911 . 1 1 87 87 LEU CB C 13 42.211 . . 1 . . . . 87 L CB . 15678 1
912 . 1 1 87 87 LEU CD1 C 13 24.843 . . 2 . . . . 87 L CD1 . 15678 1
913 . 1 1 87 87 LEU CD2 C 13 23.253 . . 2 . . . . 87 L CD2 . 15678 1
914 . 1 1 87 87 LEU CG C 13 26.638 . . 1 . . . . 87 L CG . 15678 1
915 . 1 1 87 87 LEU N N 15 121.439 . . 1 . . . . 87 L N . 15678 1
916 . 1 1 88 88 GLU H H 1 8.154 . . 1 . . . . 88 E H . 15678 1
917 . 1 1 88 88 GLU HA H 1 4.738 . . 1 . . . . 88 E HA . 15678 1
918 . 1 1 88 88 GLU HB2 H 1 1.858 . . 2 . . . . 88 E QB . 15678 1
919 . 1 1 88 88 GLU HB3 H 1 1.858 . . 2 . . . . 88 E QB . 15678 1
920 . 1 1 88 88 GLU HG2 H 1 2.146 . . 2 . . . . 88 E QG . 15678 1
921 . 1 1 88 88 GLU HG3 H 1 2.146 . . 2 . . . . 88 E QG . 15678 1
922 . 1 1 88 88 GLU CA C 13 56.651 . . 1 . . . . 88 E CA . 15678 1
923 . 1 1 88 88 GLU CB C 13 30.196 . . 1 . . . . 88 E CB . 15678 1
924 . 1 1 88 88 GLU N N 15 120.073 . . 1 . . . . 88 E N . 15678 1
stop_
save_
################################
# Residual dipolar couplings #
################################
save_GEL
_RDC_list.Sf_category RDCs
_RDC_list.Sf_framecode GEL
_RDC_list.Entry_ID 15678
_RDC_list.ID 1
_RDC_list.Sample_condition_list_ID 1
_RDC_list.Sample_condition_list_label $sample_conditions_1
_RDC_list.Spectrometer_frequency_1H 600
_RDC_list.Bond_length_usage_flag .
_RDC_list.Dipolar_constraint_calib_method .
_RDC_list.Mol_align_tensor_axial_sym_mol .
_RDC_list.Mol_align_tensor_rhombic_mol .
_RDC_list.General_order_param_int_motions .
_RDC_list.Assumed_H_N_bond_length .
_RDC_list.Assumed_H_C_bond_length .
_RDC_list.Assumed_C_N_bond_length .
_RDC_list.Details .
_RDC_list.Text_data_format .
_RDC_list.Text_data .
loop_
_RDC_experiment.Experiment_ID
_RDC_experiment.Experiment_name
_RDC_experiment.Sample_ID
_RDC_experiment.Sample_label
_RDC_experiment.Sample_state
_RDC_experiment.Entry_ID
_RDC_experiment.RDC_list_ID
12 '2D 1H-15N HSQC-TROSY' . . . 15678 1
stop_
loop_
_RDC_software.Software_ID
_RDC_software.Software_label
_RDC_software.Method_ID
_RDC_software.Method_label
_RDC_software.Entry_ID
_RDC_software.RDC_list_ID
3 $SPARKY . . 15678 1
stop_
loop_
_RDC.ID
_RDC.RDC_code
_RDC.Assembly_atom_ID_1
_RDC.Entity_assembly_ID_1
_RDC.Entity_ID_1
_RDC.Comp_index_ID_1
_RDC.Seq_ID_1
_RDC.Comp_ID_1
_RDC.Atom_ID_1
_RDC.Atom_type_1
_RDC.Atom_isotope_number_1
_RDC.Ambiguity_code_1
_RDC.Assembly_atom_ID_2
_RDC.Entity_assembly_ID_2
_RDC.Entity_ID_2
_RDC.Comp_index_ID_2
_RDC.Seq_ID_2
_RDC.Comp_ID_2
_RDC.Atom_ID_2
_RDC.Atom_type_2
_RDC.Atom_isotope_number_2
_RDC.Ambiguity_code_2
_RDC.Val
_RDC.Val_min
_RDC.Val_max
_RDC.Val_err
_RDC.Val_bond_length
_RDC.Resonance_ID_1
_RDC.Resonance_ID_2
_RDC.Auth_entity_assembly_ID_1
_RDC.Auth_seq_ID_1
_RDC.Auth_comp_ID_1
_RDC.Auth_atom_ID_1
_RDC.Auth_entity_assembly_ID_2
_RDC.Auth_seq_ID_2
_RDC.Auth_comp_ID_2
_RDC.Auth_atom_ID_2
_RDC.Entry_ID
_RDC.RDC_list_ID
1 DHN . 1 1 3 3 ILE N N 15 . . 1 1 3 3 ILE H H 1 . 1.728 . . 1.5 . . . . 3 I N . 3 I H 15678 1
2 DHN . 1 1 4 4 ILE N N 15 . . 1 1 4 4 ILE H H 1 . -5.168 . . 1.5 . . . . 4 I N . 4 I H 15678 1
3 DHN . 1 1 7 7 SER N N 15 . . 1 1 7 7 SER H H 1 . 5.61 . . 1.5 . . . . 7 S N . 7 S H 15678 1
4 DHN . 1 1 8 8 GLU N N 15 . . 1 1 8 8 GLU H H 1 . 5.18 . . 1.5 . . . . 8 E N . 8 E H 15678 1
5 DHN . 1 1 13 13 ASN N N 15 . . 1 1 13 13 ASN H H 1 . -14.152 . . 1.5 . . . . 13 N N . 13 N H 15678 1
6 DHN . 1 1 14 14 THR N N 15 . . 1 1 14 14 THR H H 1 . -6.102 . . 1.5 . . . . 14 T N . 14 T H 15678 1
7 DHN . 1 1 15 15 MET N N 15 . . 1 1 15 15 MET H H 1 . 2.618 . . 1.5 . . . . 15 M N . 15 M H 15678 1
8 DHN . 1 1 16 16 LYS N N 15 . . 1 1 16 16 LYS H H 1 . 3.684 . . 1.5 . . . . 16 K N . 16 K H 15678 1
9 DHN . 1 1 17 17 VAL N N 15 . . 1 1 17 17 VAL H H 1 . 3.512 . . 1.5 . . . . 17 V N . 17 V H 15678 1
10 DHN . 1 1 18 18 SER N N 15 . . 1 1 18 18 SER H H 1 . 4.83 . . 1.5 . . . . 18 S N . 18 S H 15678 1
11 DHN . 1 1 19 19 LEU N N 15 . . 1 1 19 19 LEU H H 1 . -6.612 . . 1.5 . . . . 19 L N . 19 L H 15678 1
12 DHN . 1 1 28 28 PHE N N 15 . . 1 1 28 28 PHE H H 1 . -0.382 . . 1.5 . . . . 28 F N . 28 F H 15678 1
13 DHN . 1 1 29 29 THR N N 15 . . 1 1 29 29 THR H H 1 . 2.016 . . 1.5 . . . . 29 T N . 29 T H 15678 1
14 DHN . 1 1 32 32 THR N N 15 . . 1 1 32 32 THR H H 1 . 3.18 . . 1.5 . . . . 32 T N . 32 T H 15678 1
15 DHN . 1 1 35 35 GLN N N 15 . . 1 1 35 35 GLN H H 1 . 8.212 . . 1.5 . . . . 35 Q N . 35 Q H 15678 1
16 DHN . 1 1 36 36 GLU N N 15 . . 1 1 36 36 GLU H H 1 . 9.242 . . 1.5 . . . . 36 E N . 36 E H 15678 1
17 DHN . 1 1 38 38 GLN N N 15 . . 1 1 38 38 GLN H H 1 . 9.322 . . 1.5 . . . . 38 Q N . 38 Q H 15678 1
18 DHN . 1 1 40 40 GLU N N 15 . . 1 1 40 40 GLU H H 1 . 4.466 . . 1.5 . . . . 40 E N . 40 E H 15678 1
19 DHN . 1 1 43 43 ASN N N 15 . . 1 1 43 43 ASN H H 1 . 5.604 . . 1.5 . . . . 43 N N . 43 N H 15678 1
20 DHN . 1 1 45 45 LEU N N 15 . . 1 1 45 45 LEU H H 1 . 11.474 . . 1.5 . . . . 45 L N . 45 L H 15678 1
21 DHN . 1 1 46 46 PHE N N 15 . . 1 1 46 46 PHE H H 1 . 4.928 . . 1.5 . . . . 46 F N . 46 F H 15678 1
22 DHN . 1 1 47 47 GLU N N 15 . . 1 1 47 47 GLU H H 1 . 9.004 . . 1.5 . . . . 47 E N . 47 E H 15678 1
23 DHN . 1 1 48 48 ILE N N 15 . . 1 1 48 48 ILE H H 1 . 8.252 . . 1.5 . . . . 48 I N . 48 I H 15678 1
24 DHN . 1 1 50 50 GLY N N 15 . . 1 1 50 50 GLY H H 1 . 4.604 . . 1.5 . . . . 50 G N . 50 G H 15678 1
25 DHN . 1 1 52 52 LYS N N 15 . . 1 1 52 52 LYS H H 1 . 4.558 . . 1.5 . . . . 52 K N . 52 K H 15678 1
26 DHN . 1 1 53 53 SER N N 15 . . 1 1 53 53 SER H H 1 . 4.92 . . 1.5 . . . . 53 S N . 53 S H 15678 1
27 DHN . 1 1 54 54 ILE N N 15 . . 1 1 54 54 ILE H H 1 . 4.918 . . 1.5 . . . . 54 I N . 54 I H 15678 1
28 DHN . 1 1 55 55 PHE N N 15 . . 1 1 55 55 PHE H H 1 . 4.682 . . 1.5 . . . . 55 F N . 55 F H 15678 1
29 DHN . 1 1 56 56 TYR N N 15 . . 1 1 56 56 TYR H H 1 . 2.946 . . 1.5 . . . . 56 Y N . 56 Y H 15678 1
30 DHN . 1 1 57 57 VAL N N 15 . . 1 1 57 57 VAL H H 1 . 3.204 . . 1.5 . . . . 57 V N . 57 V H 15678 1
31 DHN . 1 1 59 59 ASP N N 15 . . 1 1 59 59 ASP H H 1 . -9.698 . . 1.5 . . . . 59 D N . 59 D H 15678 1
32 DHN . 1 1 60 60 PHE N N 15 . . 1 1 60 60 PHE H H 1 . -0.432 . . 1.5 . . . . 60 F N . 60 F H 15678 1
33 DHN . 1 1 61 61 ILE N N 15 . . 1 1 61 61 ILE H H 1 . 3.216 . . 1.5 . . . . 61 I N . 61 I H 15678 1
34 DHN . 1 1 62 62 SER N N 15 . . 1 1 62 62 SER H H 1 . 5.362 . . 1.5 . . . . 62 S N . 62 S H 15678 1
35 DHN . 1 1 63 63 ILE N N 15 . . 1 1 63 63 ILE H H 1 . 5.872 . . 1.5 . . . . 63 I N . 63 I H 15678 1
36 DHN . 1 1 64 64 ASP N N 15 . . 1 1 64 64 ASP H H 1 . 1.518 . . 1.5 . . . . 64 D N . 64 D H 15678 1
37 DHN . 1 1 67 67 ASP N N 15 . . 1 1 67 67 ASP H H 1 . 0.594 . . 1.5 . . . . 67 D N . 67 D H 15678 1
38 DHN . 1 1 68 68 ASN N N 15 . . 1 1 68 68 ASN H H 1 . 4.15 . . 1.5 . . . . 68 N N . 68 N H 15678 1
39 DHN . 1 1 69 69 ALA N N 15 . . 1 1 69 69 ALA H H 1 . -0.114 . . 1.5 . . . . 69 A N . 69 A H 15678 1
40 DHN . 1 1 70 70 ASN N N 15 . . 1 1 70 70 ASN H H 1 . -10.742 . . 1.5 . . . . 70 N N . 70 N H 15678 1
41 DHN . 1 1 71 71 TRP N N 15 . . 1 1 71 71 TRP H H 1 . -15.004 . . 1.5 . . . . 71 W N . 71 W H 15678 1
42 DHN . 1 1 72 72 ASN N N 15 . . 1 1 72 72 ASN H H 1 . -9.62 . . 1.5 . . . . 72 N N . 72 N H 15678 1
43 DHN . 1 1 73 73 GLU N N 15 . . 1 1 73 73 GLU H H 1 . -15.85 . . 1.5 . . . . 73 E N . 73 E H 15678 1
44 DHN . 1 1 74 74 LEU N N 15 . . 1 1 74 74 LEU H H 1 . -16.52 . . 1.5 . . . . 74 L N . 74 L H 15678 1
45 DHN . 1 1 75 75 LEU N N 15 . . 1 1 75 75 LEU H H 1 . -5.644 . . 1.5 . . . . 75 L N . 75 L H 15678 1
46 DHN . 1 1 77 77 GLN N N 15 . . 1 1 77 77 GLN H H 1 . -14.012 . . 1.5 . . . . 77 Q N . 77 Q H 15678 1
47 DHN . 1 1 78 78 ILE N N 15 . . 1 1 78 78 ILE H H 1 . -5.986 . . 1.5 . . . . 78 I N . 78 I H 15678 1
48 DHN . 1 1 79 79 GLU N N 15 . . 1 1 79 79 GLU H H 1 . 1.518 . . 1.5 . . . . 79 E N . 79 E H 15678 1
49 DHN . 1 1 82 82 PHE N N 15 . . 1 1 82 82 PHE H H 1 . -2.354 . . 1.5 . . . . 82 F N . 82 F H 15678 1
50 DHN . 1 1 83 83 ALA N N 15 . . 1 1 83 83 ALA H H 1 . 2.836 . . 1.5 . . . . 83 A N . 83 A H 15678 1
51 DHN . 1 1 84 84 LYS N N 15 . . 1 1 84 84 LYS H H 1 . -3.432 . . 1.5 . . . . 84 K N . 84 K H 15678 1
52 DHN . 1 1 85 85 SER N N 15 . . 1 1 85 85 SER H H 1 . -4.67 . . 1.5 . . . . 85 S N . 85 S H 15678 1
53 DHN . 1 1 86 86 ASN N N 15 . . 1 1 86 86 ASN H H 1 . 1.998 . . 1.5 . . . . 86 N N . 86 N H 15678 1
stop_
save_
save_Bicelle
_RDC_list.Sf_category RDCs
_RDC_list.Sf_framecode Bicelle
_RDC_list.Entry_ID 15678
_RDC_list.ID 2
_RDC_list.Sample_condition_list_ID 1
_RDC_list.Sample_condition_list_label $sample_conditions_1
_RDC_list.Spectrometer_frequency_1H 600
_RDC_list.Bond_length_usage_flag .
_RDC_list.Dipolar_constraint_calib_method .
_RDC_list.Mol_align_tensor_axial_sym_mol .
_RDC_list.Mol_align_tensor_rhombic_mol .
_RDC_list.General_order_param_int_motions .
_RDC_list.Assumed_H_N_bond_length .
_RDC_list.Assumed_H_C_bond_length .
_RDC_list.Assumed_C_N_bond_length .
_RDC_list.Details .
_RDC_list.Text_data_format .
_RDC_list.Text_data .
loop_
_RDC_experiment.Experiment_ID
_RDC_experiment.Experiment_name
_RDC_experiment.Sample_ID
_RDC_experiment.Sample_label
_RDC_experiment.Sample_state
_RDC_experiment.Entry_ID
_RDC_experiment.RDC_list_ID
13 '2D 1H-15N HSQC-TROSY' . . . 15678 2
stop_
loop_
_RDC_software.Software_ID
_RDC_software.Software_label
_RDC_software.Method_ID
_RDC_software.Method_label
_RDC_software.Entry_ID
_RDC_software.RDC_list_ID
3 $SPARKY . . 15678 2
stop_
loop_
_RDC.ID
_RDC.RDC_code
_RDC.Assembly_atom_ID_1
_RDC.Entity_assembly_ID_1
_RDC.Entity_ID_1
_RDC.Comp_index_ID_1
_RDC.Seq_ID_1
_RDC.Comp_ID_1
_RDC.Atom_ID_1
_RDC.Atom_type_1
_RDC.Atom_isotope_number_1
_RDC.Ambiguity_code_1
_RDC.Assembly_atom_ID_2
_RDC.Entity_assembly_ID_2
_RDC.Entity_ID_2
_RDC.Comp_index_ID_2
_RDC.Seq_ID_2
_RDC.Comp_ID_2
_RDC.Atom_ID_2
_RDC.Atom_type_2
_RDC.Atom_isotope_number_2
_RDC.Ambiguity_code_2
_RDC.Val
_RDC.Val_min
_RDC.Val_max
_RDC.Val_err
_RDC.Val_bond_length
_RDC.Resonance_ID_1
_RDC.Resonance_ID_2
_RDC.Auth_entity_assembly_ID_1
_RDC.Auth_seq_ID_1
_RDC.Auth_comp_ID_1
_RDC.Auth_atom_ID_1
_RDC.Auth_entity_assembly_ID_2
_RDC.Auth_seq_ID_2
_RDC.Auth_comp_ID_2
_RDC.Auth_atom_ID_2
_RDC.Entry_ID
_RDC.RDC_list_ID
1 DHN . 1 1 2 2 GLU N N 15 . . 1 1 2 2 GLU H H 1 . 0.408 . . 1.5 . . . . 2 E N . 2 E H 15678 2
2 DHN . 1 1 3 3 ILE N N 15 . . 1 1 3 3 ILE H H 1 . 3 . . 1.5 . . . . 3 I N . 3 I H 15678 2
3 DHN . 1 1 7 7 SER N N 15 . . 1 1 7 7 SER H H 1 . 7.704 . . 1.5 . . . . 7 S N . 7 S H 15678 2
4 DHN . 1 1 8 8 GLU N N 15 . . 1 1 8 8 GLU H H 1 . 9.884 . . 1.5 . . . . 8 E N . 8 E H 15678 2
5 DHN . 1 1 9 9 THR N N 15 . . 1 1 9 9 THR H H 1 . 3.782 . . 1.5 . . . . 9 T N . 9 T H 15678 2
6 DHN . 1 1 11 11 ASN N N 15 . . 1 1 11 11 ASN H H 1 . -6.69 . . 1.5 . . . . 11 N N . 11 N H 15678 2
7 DHN . 1 1 13 13 ASN N N 15 . . 1 1 13 13 ASN H H 1 . -7.69 . . 1.5 . . . . 13 N N . 13 N H 15678 2
8 DHN . 1 1 14 14 THR N N 15 . . 1 1 14 14 THR H H 1 . -4.062 . . 1.5 . . . . 14 T N . 14 T H 15678 2
9 DHN . 1 1 15 15 MET N N 15 . . 1 1 15 15 MET H H 1 . 3.588 . . 1.5 . . . . 15 M N . 15 M H 15678 2
10 DHN . 1 1 16 16 LYS N N 15 . . 1 1 16 16 LYS H H 1 . 5.454 . . 1.5 . . . . 16 K N . 16 K H 15678 2
11 DHN . 1 1 17 17 VAL N N 15 . . 1 1 17 17 VAL H H 1 . 8.628 . . 1.5 . . . . 17 V N . 17 V H 15678 2
12 DHN . 1 1 18 18 SER N N 15 . . 1 1 18 18 SER H H 1 . 4.956 . . 1.5 . . . . 18 S N . 18 S H 15678 2
13 DHN . 1 1 19 19 LEU N N 15 . . 1 1 19 19 LEU H H 1 . -2.356 . . 1.5 . . . . 19 L N . 19 L H 15678 2
14 DHN . 1 1 20 20 SER N N 15 . . 1 1 20 20 SER H H 1 . -0.72 . . 1.5 . . . . 20 S N . 20 S H 15678 2
15 DHN . 1 1 25 25 ASP N N 15 . . 1 1 25 25 ASP H H 1 . 0.912 . . 1.5 . . . . 25 D N . 25 D H 15678 2
16 DHN . 1 1 26 26 ASN N N 15 . . 1 1 26 26 ASN H H 1 . 3.884 . . 1.5 . . . . 26 N N . 26 N H 15678 2
17 DHN . 1 1 29 29 THR N N 15 . . 1 1 29 29 THR H H 1 . 8.078 . . 1.5 . . . . 29 T N . 29 T H 15678 2
18 DHN . 1 1 34 34 ALA N N 15 . . 1 1 34 34 ALA H H 1 . 2.046 . . 1.5 . . . . 34 A N . 34 A H 15678 2
19 DHN . 1 1 35 35 GLN N N 15 . . 1 1 35 35 GLN H H 1 . 10.138 . . 1.5 . . . . 35 Q N . 35 Q H 15678 2
20 DHN . 1 1 36 36 GLU N N 15 . . 1 1 36 36 GLU H H 1 . 9.232 . . 1.5 . . . . 36 E N . 36 E H 15678 2
21 DHN . 1 1 38 38 GLN N N 15 . . 1 1 38 38 GLN H H 1 . 2.118 . . 1.5 . . . . 38 Q N . 38 Q H 15678 2
22 DHN . 1 1 40 40 GLU N N 15 . . 1 1 40 40 GLU H H 1 . -3.136 . . 1.5 . . . . 40 E N . 40 E H 15678 2
23 DHN . 1 1 43 43 ASN N N 15 . . 1 1 43 43 ASN H H 1 . -1.972 . . 1.5 . . . . 43 N N . 43 N H 15678 2
24 DHN . 1 1 45 45 LEU N N 15 . . 1 1 45 45 LEU H H 1 . 1.428 . . 1.5 . . . . 45 L N . 45 L H 15678 2
25 DHN . 1 1 46 46 PHE N N 15 . . 1 1 46 46 PHE H H 1 . -3.758 . . 1.5 . . . . 46 F N . 46 F H 15678 2
26 DHN . 1 1 47 47 GLU N N 15 . . 1 1 47 47 GLU H H 1 . 5.214 . . 1.5 . . . . 47 E N . 47 E H 15678 2
27 DHN . 1 1 48 48 ILE N N 15 . . 1 1 48 48 ILE H H 1 . 0.09 . . 1.5 . . . . 48 I N . 48 I H 15678 2
28 DHN . 1 1 50 50 GLY N N 15 . . 1 1 50 50 GLY H H 1 . 9.618 . . 1.5 . . . . 50 G N . 50 G H 15678 2
29 DHN . 1 1 52 52 LYS N N 15 . . 1 1 52 52 LYS H H 1 . 6.324 . . 1.5 . . . . 52 K N . 52 K H 15678 2
30 DHN . 1 1 53 53 SER N N 15 . . 1 1 53 53 SER H H 1 . 8.63 . . 1.5 . . . . 53 S N . 53 S H 15678 2
31 DHN . 1 1 54 54 ILE N N 15 . . 1 1 54 54 ILE H H 1 . 8.612 . . 1.5 . . . . 54 I N . 54 I H 15678 2
32 DHN . 1 1 55 55 PHE N N 15 . . 1 1 55 55 PHE H H 1 . 6.554 . . 1.5 . . . . 55 F N . 55 F H 15678 2
33 DHN . 1 1 56 56 TYR N N 15 . . 1 1 56 56 TYR H H 1 . 9.562 . . 1.5 . . . . 56 Y N . 56 Y H 15678 2
34 DHN . 1 1 57 57 VAL N N 15 . . 1 1 57 57 VAL H H 1 . 6.21 . . 1.5 . . . . 57 V N . 57 V H 15678 2
35 DHN . 1 1 59 59 ASP N N 15 . . 1 1 59 59 ASP H H 1 . -8.786 . . 1.5 . . . . 59 D N . 59 D H 15678 2
36 DHN . 1 1 60 60 PHE N N 15 . . 1 1 60 60 PHE H H 1 . 4.384 . . 1.5 . . . . 60 F N . 60 F H 15678 2
37 DHN . 1 1 61 61 ILE N N 15 . . 1 1 61 61 ILE H H 1 . 7.256 . . 1.5 . . . . 61 I N . 61 I H 15678 2
38 DHN . 1 1 62 62 SER N N 15 . . 1 1 62 62 SER H H 1 . 7.186 . . 1.5 . . . . 62 S N . 62 S H 15678 2
39 DHN . 1 1 63 63 ILE N N 15 . . 1 1 63 63 ILE H H 1 . 9.256 . . 1.5 . . . . 63 I N . 63 I H 15678 2
40 DHN . 1 1 64 64 ASP N N 15 . . 1 1 64 64 ASP H H 1 . 0.998 . . 1.5 . . . . 64 D N . 64 D H 15678 2
41 DHN . 1 1 66 66 GLU N N 15 . . 1 1 66 66 GLU H H 1 . -4.508 . . 1.5 . . . . 66 E N . 66 E H 15678 2
42 DHN . 1 1 67 67 ASP N N 15 . . 1 1 67 67 ASP H H 1 . 8.108 . . 1.5 . . . . 67 D N . 67 D H 15678 2
43 DHN . 1 1 68 68 ASN N N 15 . . 1 1 68 68 ASN H H 1 . 8.168 . . 1.5 . . . . 68 N N . 68 N H 15678 2
44 DHN . 1 1 72 72 ASN N N 15 . . 1 1 72 72 ASN H H 1 . -8.89 . . 1.5 . . . . 72 N N . 72 N H 15678 2
45 DHN . 1 1 73 73 GLU N N 15 . . 1 1 73 73 GLU H H 1 . -7.488 . . 1.5 . . . . 73 E N . 73 E H 15678 2
46 DHN . 1 1 74 74 LEU N N 15 . . 1 1 74 74 LEU H H 1 . -11.78 . . 1.5 . . . . 74 L N . 74 L H 15678 2
47 DHN . 1 1 75 75 LEU N N 15 . . 1 1 75 75 LEU H H 1 . -7.592 . . 1.5 . . . . 75 L N . 75 L H 15678 2
48 DHN . 1 1 77 77 GLN N N 15 . . 1 1 77 77 GLN H H 1 . -11.22 . . 1.5 . . . . 77 Q N . 77 Q H 15678 2
49 DHN . 1 1 78 78 ILE N N 15 . . 1 1 78 78 ILE H H 1 . -7.508 . . 1.5 . . . . 78 I N . 78 I H 15678 2
50 DHN . 1 1 79 79 GLU N N 15 . . 1 1 79 79 GLU H H 1 . -4.842 . . 1.5 . . . . 79 E N . 79 E H 15678 2
51 DHN . 1 1 82 82 PHE N N 15 . . 1 1 82 82 PHE H H 1 . -5.328 . . 1.5 . . . . 82 F N . 82 F H 15678 2
52 DHN . 1 1 83 83 ALA N N 15 . . 1 1 83 83 ALA H H 1 . -1.98 . . 1.5 . . . . 83 A N . 83 A H 15678 2
53 DHN . 1 1 85 85 SER N N 15 . . 1 1 85 85 SER H H 1 . -3.912 . . 1.5 . . . . 85 S N . 85 S H 15678 2
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