data_52029
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 52029
_Entry.Title
;
Backbone and side chain assignment of BCL11A zinc finger 456
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2023-07-12
_Entry.Accession_date 2023-07-12
_Entry.Last_release_date 2023-07-13
_Entry.Original_release_date 2023-07-13
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.14.0
_Entry.NMR_STAR_dict_location .
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID .
_Entry.Generated_software_label .
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.ORCID
_Entry_author.Entry_ID
1 Thibault Viennet . . . 0000-0001-5349-0179 52029
2 Maolu Yin . . . . 52029
3 Stuart Orkin . H. . . 52029
4 Haribabu Arthanari . . . . 52029
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 52029
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 311 52029
'15N chemical shifts' 97 52029
'1H chemical shifts' 551 52029
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2025-03-14 . original BMRB . 52029
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 52029
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.PubMed_ID 39423807
_Citation.DOI .
_Citation.Full_citation .
_Citation.Title
;
Structural insights into the DNA-binding mechanism of BCL11A: The integral role of ZnF6
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev Structure
_Citation.Journal_name_full 'Structure (London, England : 1993)'
_Citation.Journal_volume 32
_Citation.Journal_issue 12
_Citation.Journal_ASTM .
_Citation.Journal_ISSN 1878-4186
_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 2276
_Citation.Page_last 2286
_Citation.Year 2024
_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.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Thibault Viennet T. . . . 52029 1
2 Maolu Yin M. . . . 52029 1
3 Abhilash Jayaraj A. . . . 52029 1
4 Woojin Kim W. . . . 52029 1
5 Zhen-Yu Sun Z. J. . . 52029 1
6 Yuko Fujiwara Y. . . . 52029 1
7 Kevin Zhang K. . . . 52029 1
8 Davide Seruggia D. . . . 52029 1
9 Hyuk-Soo Seo H. S. . . 52029 1
10 Sirano Dhe-Paganon S. . . . 52029 1
11 Stuart Orkin S. H. . . 52029 1
12 Haribabu Arthanari H. . . . 52029 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 52029
_Assembly.ID 1
_Assembly.Name ZnF456
_Assembly.BMRB_code .
_Assembly.Number_of_components 4
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 3
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states no
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange no
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 ZnF456 1 $entity_1 . . yes native no no . . . 52029 1
2 'Zn ion, 1' 2 $entity_ZN . . no native no no . . . 52029 1
3 'Zn ion, 2' 2 $entity_ZN . . no native no no . . . 52029 1
4 'Zn ion, 3' 2 $entity_ZN . . no native no no . . . 52029 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 52029
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity_1
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
SEGRRSDTCEYCGKVFKNCS
NLTVHRRSHTGERPYKCELC
NYACAQSSKLTRHMKTHGQV
GKDVYKCEICKMPFSVYSTL
EKHMKKWHSDRVLNNDIKTE
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq 736-835
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 100
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
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
1 736 SER . 52029 1
2 737 GLU . 52029 1
3 738 GLY . 52029 1
4 739 ARG . 52029 1
5 740 ARG . 52029 1
6 741 SER . 52029 1
7 742 ASP . 52029 1
8 743 THR . 52029 1
9 744 CYS . 52029 1
10 745 GLU . 52029 1
11 746 TYR . 52029 1
12 747 CYS . 52029 1
13 748 GLY . 52029 1
14 749 LYS . 52029 1
15 750 VAL . 52029 1
16 751 PHE . 52029 1
17 752 LYS . 52029 1
18 753 ASN . 52029 1
19 754 CYS . 52029 1
20 755 SER . 52029 1
21 756 ASN . 52029 1
22 757 LEU . 52029 1
23 758 THR . 52029 1
24 759 VAL . 52029 1
25 760 HIS . 52029 1
26 761 ARG . 52029 1
27 762 ARG . 52029 1
28 763 SER . 52029 1
29 764 HIS . 52029 1
30 765 THR . 52029 1
31 766 GLY . 52029 1
32 767 GLU . 52029 1
33 768 ARG . 52029 1
34 769 PRO . 52029 1
35 770 TYR . 52029 1
36 771 LYS . 52029 1
37 772 CYS . 52029 1
38 773 GLU . 52029 1
39 774 LEU . 52029 1
40 775 CYS . 52029 1
41 776 ASN . 52029 1
42 777 TYR . 52029 1
43 778 ALA . 52029 1
44 779 CYS . 52029 1
45 780 ALA . 52029 1
46 781 GLN . 52029 1
47 782 SER . 52029 1
48 783 SER . 52029 1
49 784 LYS . 52029 1
50 785 LEU . 52029 1
51 786 THR . 52029 1
52 787 ARG . 52029 1
53 788 HIS . 52029 1
54 789 MET . 52029 1
55 790 LYS . 52029 1
56 791 THR . 52029 1
57 792 HIS . 52029 1
58 793 GLY . 52029 1
59 794 GLN . 52029 1
60 795 VAL . 52029 1
61 796 GLY . 52029 1
62 797 LYS . 52029 1
63 798 ASP . 52029 1
64 799 VAL . 52029 1
65 800 TYR . 52029 1
66 801 LYS . 52029 1
67 802 CYS . 52029 1
68 803 GLU . 52029 1
69 804 ILE . 52029 1
70 805 CYS . 52029 1
71 806 LYS . 52029 1
72 807 MET . 52029 1
73 808 PRO . 52029 1
74 809 PHE . 52029 1
75 810 SER . 52029 1
76 811 VAL . 52029 1
77 812 TYR . 52029 1
78 813 SER . 52029 1
79 814 THR . 52029 1
80 815 LEU . 52029 1
81 816 GLU . 52029 1
82 817 LYS . 52029 1
83 818 HIS . 52029 1
84 819 MET . 52029 1
85 820 LYS . 52029 1
86 821 LYS . 52029 1
87 822 TRP . 52029 1
88 823 HIS . 52029 1
89 824 SER . 52029 1
90 825 ASP . 52029 1
91 826 ARG . 52029 1
92 827 VAL . 52029 1
93 828 LEU . 52029 1
94 829 ASN . 52029 1
95 830 ASN . 52029 1
96 831 ASP . 52029 1
97 832 ILE . 52029 1
98 833 LYS . 52029 1
99 834 THR . 52029 1
100 835 GLU . 52029 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
. SER 1 1 52029 1
. GLU 2 2 52029 1
. GLY 3 3 52029 1
. ARG 4 4 52029 1
. ARG 5 5 52029 1
. SER 6 6 52029 1
. ASP 7 7 52029 1
. THR 8 8 52029 1
. CYS 9 9 52029 1
. GLU 10 10 52029 1
. TYR 11 11 52029 1
. CYS 12 12 52029 1
. GLY 13 13 52029 1
. LYS 14 14 52029 1
. VAL 15 15 52029 1
. PHE 16 16 52029 1
. LYS 17 17 52029 1
. ASN 18 18 52029 1
. CYS 19 19 52029 1
. SER 20 20 52029 1
. ASN 21 21 52029 1
. LEU 22 22 52029 1
. THR 23 23 52029 1
. VAL 24 24 52029 1
. HIS 25 25 52029 1
. ARG 26 26 52029 1
. ARG 27 27 52029 1
. SER 28 28 52029 1
. HIS 29 29 52029 1
. THR 30 30 52029 1
. GLY 31 31 52029 1
. GLU 32 32 52029 1
. ARG 33 33 52029 1
. PRO 34 34 52029 1
. TYR 35 35 52029 1
. LYS 36 36 52029 1
. CYS 37 37 52029 1
. GLU 38 38 52029 1
. LEU 39 39 52029 1
. CYS 40 40 52029 1
. ASN 41 41 52029 1
. TYR 42 42 52029 1
. ALA 43 43 52029 1
. CYS 44 44 52029 1
. ALA 45 45 52029 1
. GLN 46 46 52029 1
. SER 47 47 52029 1
. SER 48 48 52029 1
. LYS 49 49 52029 1
. LEU 50 50 52029 1
. THR 51 51 52029 1
. ARG 52 52 52029 1
. HIS 53 53 52029 1
. MET 54 54 52029 1
. LYS 55 55 52029 1
. THR 56 56 52029 1
. HIS 57 57 52029 1
. GLY 58 58 52029 1
. GLN 59 59 52029 1
. VAL 60 60 52029 1
. GLY 61 61 52029 1
. LYS 62 62 52029 1
. ASP 63 63 52029 1
. VAL 64 64 52029 1
. TYR 65 65 52029 1
. LYS 66 66 52029 1
. CYS 67 67 52029 1
. GLU 68 68 52029 1
. ILE 69 69 52029 1
. CYS 70 70 52029 1
. LYS 71 71 52029 1
. MET 72 72 52029 1
. PRO 73 73 52029 1
. PHE 74 74 52029 1
. SER 75 75 52029 1
. VAL 76 76 52029 1
. TYR 77 77 52029 1
. SER 78 78 52029 1
. THR 79 79 52029 1
. LEU 80 80 52029 1
. GLU 81 81 52029 1
. LYS 82 82 52029 1
. HIS 83 83 52029 1
. MET 84 84 52029 1
. LYS 85 85 52029 1
. LYS 86 86 52029 1
. TRP 87 87 52029 1
. HIS 88 88 52029 1
. SER 89 89 52029 1
. ASP 90 90 52029 1
. ARG 91 91 52029 1
. VAL 92 92 52029 1
. LEU 93 93 52029 1
. ASN 94 94 52029 1
. ASN 95 95 52029 1
. ASP 96 96 52029 1
. ILE 97 97 52029 1
. LYS 98 98 52029 1
. THR 99 99 52029 1
. GLU 100 100 52029 1
stop_
save_
save_entity_ZN
_Entity.Sf_category entity
_Entity.Sf_framecode entity_ZN
_Entity.Entry_ID 52029
_Entity.ID 2
_Entity.BMRB_code ZN
_Entity.Name entity_ZN
_Entity.Type non-polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type .
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code .
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID ZN
_Entity.Nonpolymer_comp_label $chem_comp_ZN
_Entity.Number_of_monomers .
_Entity.Number_of_nonpolymer_components 1
_Entity.Paramagnetic .
_Entity.Thiol_state .
_Entity.Src_method .
_Entity.Parent_entity_ID 2
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 65.409
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'ZINC ION' BMRB 52029 2
stop_
loop_
_Entity_systematic_name.Name
_Entity_systematic_name.Naming_system
_Entity_systematic_name.Entry_ID
_Entity_systematic_name.Entity_ID
'ZINC ION' BMRB 52029 2
ZN 'Three letter code' 52029 2
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 1 ZN $chem_comp_ZN 52029 2
stop_
save_
####################
# Natural source #
####################
save_natural_source_1
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source_1
_Entity_natural_src_list.Entry_ID 52029
_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.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.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Details
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52029 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source_1
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source_1
_Entity_experimental_src_list.Entry_ID 52029
_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_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.Details
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . plasmid . . pET28 . . . 52029 1
stop_
save_
#################################
# Polymer residues and ligands #
#################################
save_chem_comp_ZN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ZN
_Chem_comp.Entry_ID 52029
_Chem_comp.ID ZN
_Chem_comp.Provenance PDB
_Chem_comp.Name 'ZINC ION'
_Chem_comp.Type NON-POLYMER
_Chem_comp.BMRB_code ZN
_Chem_comp.PDB_code ZN
_Chem_comp.Ambiguous_flag no
_Chem_comp.Initial_date 2020-07-10
_Chem_comp.Modified_date 2020-07-10
_Chem_comp.Release_status REL
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code ZN
_Chem_comp.Number_atoms_all 1
_Chem_comp.Number_atoms_nh 1
_Chem_comp.Atom_nomenclature_source .
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code InChI=1S/Zn/q+2
_Chem_comp.Mon_nstd_flag no
_Chem_comp.Mon_nstd_class .
_Chem_comp.Mon_nstd_details .
_Chem_comp.Mon_nstd_parent .
_Chem_comp.Mon_nstd_parent_comp_ID .
_Chem_comp.Std_deriv_one_letter_code .
_Chem_comp.Std_deriv_three_letter_code .
_Chem_comp.Std_deriv_BMRB_code .
_Chem_comp.Std_deriv_PDB_code .
_Chem_comp.Std_deriv_chem_comp_name .
_Chem_comp.Synonyms .
_Chem_comp.Formal_charge 2
_Chem_comp.Paramagnetic .
_Chem_comp.Aromatic no
_Chem_comp.Formula Zn
_Chem_comp.Formula_weight 65.409
_Chem_comp.Formula_mono_iso_wt_nat .
_Chem_comp.Formula_mono_iso_wt_13C .
_Chem_comp.Formula_mono_iso_wt_15N .
_Chem_comp.Formula_mono_iso_wt_13C_15N .
_Chem_comp.Image_file_name .
_Chem_comp.Image_file_format .
_Chem_comp.Topo_file_name .
_Chem_comp.Topo_file_format .
_Chem_comp.Struct_file_name .
_Chem_comp.Struct_file_format .
_Chem_comp.Stereochem_param_file_name .
_Chem_comp.Stereochem_param_file_format .
_Chem_comp.Model_details .
_Chem_comp.Model_erf .
_Chem_comp.Model_source .
_Chem_comp.Model_coordinates_details .
_Chem_comp.Model_coordinates_missing_flag no
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag no
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site RCSB
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details .
_Chem_comp.DB_query_date .
_Chem_comp.DB_last_query_revised_last_date .
loop_
_Chem_comp_descriptor.Descriptor
_Chem_comp_descriptor.Type
_Chem_comp_descriptor.Program
_Chem_comp_descriptor.Program_version
_Chem_comp_descriptor.Entry_ID
_Chem_comp_descriptor.Comp_ID
InChI=1S/Zn/q+2 InChI InChI 1.03 52029 ZN
PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 52029 ZN
[Zn++] SMILES CACTVS 3.341 52029 ZN
[Zn++] SMILES_CANONICAL CACTVS 3.341 52029 ZN
[Zn+2] SMILES ACDLabs 10.04 52029 ZN
[Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 52029 ZN
[Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 52029 ZN
stop_
loop_
_Chem_comp_identifier.Identifier
_Chem_comp_identifier.Type
_Chem_comp_identifier.Program
_Chem_comp_identifier.Program_version
_Chem_comp_identifier.Entry_ID
_Chem_comp_identifier.Comp_ID
zinc 'SYSTEMATIC NAME' ACDLabs 10.04 52029 ZN
'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 52029 ZN
stop_
loop_
_Chem_comp_atom.Atom_ID
_Chem_comp_atom.BMRB_code
_Chem_comp_atom.PDB_atom_ID
_Chem_comp_atom.Alt_atom_ID
_Chem_comp_atom.Auth_atom_ID
_Chem_comp_atom.Type_symbol
_Chem_comp_atom.Isotope_number
_Chem_comp_atom.Chirality
_Chem_comp_atom.Stereo_config
_Chem_comp_atom.Charge
_Chem_comp_atom.Partial_charge
_Chem_comp_atom.Oxidation_number
_Chem_comp_atom.Unpaired_electron_number
_Chem_comp_atom.Align
_Chem_comp_atom.Aromatic_flag
_Chem_comp_atom.Leaving_atom_flag
_Chem_comp_atom.Substruct_code
_Chem_comp_atom.Ionizable
_Chem_comp_atom.Drawing_2D_coord_x
_Chem_comp_atom.Drawing_2D_coord_y
_Chem_comp_atom.Model_Cartn_x
_Chem_comp_atom.Model_Cartn_x_esd
_Chem_comp_atom.Model_Cartn_y
_Chem_comp_atom.Model_Cartn_y_esd
_Chem_comp_atom.Model_Cartn_z
_Chem_comp_atom.Model_Cartn_z_esd
_Chem_comp_atom.Model_Cartn_x_ideal
_Chem_comp_atom.Model_Cartn_y_ideal
_Chem_comp_atom.Model_Cartn_z_ideal
_Chem_comp_atom.PDBX_ordinal
_Chem_comp_atom.Details
_Chem_comp_atom.Entry_ID
_Chem_comp_atom.Comp_ID
ZN ZN ZN ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 52029 ZN
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 52029
_Sample.ID 1
_Sample.Name ZnF456
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number 1
_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 'BCL11A ZnF456' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 52029 1
2 NaCl 'natural abundance' . . . . . . 137 . . mM . . . . 52029 1
3 KCl 'natural abundance' . . . . . . 2.7 . . mM . . . . 52029 1
4 Na2HPO4 'natural abundance' . . . . . . 10 . . mM . . . . 52029 1
5 KH2PO4 'natural abundance' . . . . . . 1.8 . . mM . . . . 52029 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 52029
_Sample_condition_list.ID 1
_Sample_condition_list.Name BCL11A_buffer
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.163 . M 52029 1
pH 6.0 . pH 52029 1
pressure 1 . atm 52029 1
temperature 308 . K 52029 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 52029
_Software.ID 1
_Software.Type .
_Software.Name CcpNMR
_Software.Version 2.4.2
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' . 52029 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 52029
_Software.ID 2
_Software.Type .
_Software.Name NMRPipe
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
processing . 52029 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 52029
_Software.ID 3
_Software.Type .
_Software.Name TOPSPIN
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
collection . 52029 3
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 52029
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name neo700
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE NEO'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 700
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list_1
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list_1
_Experiment_list.Entry_ID 52029
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NUS_flag
_Experiment.Interleaved_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.Details
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52029 1
2 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52029 1
3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52029 1
4 '3D HNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52029 1
5 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52029 1
6 '3D HNCOCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52029 1
7 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52029 1
8 '2D (HB)CB(CG)CD' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52029 1
9 '2D (HB)CB(CGCD)CE' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52029 1
10 '3D H(CCO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52029 1
11 '3D (H)C(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52029 1
12 '2D 1H-13C HSQC aromatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52029 1
13 '3D 13C-separated NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52029 1
14 '3D 1H-13C NOESY aromatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52029 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chem_shift_reference_1
_Chem_shift_reference.Entry_ID 52029
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name ZnF456_shifts
_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.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 water 'methylene carbons' . . . . ppm 53.2 internal direct 1 . . . . . 52029 1
H 1 water 'methylene protons' . . . . ppm 4.7 internal direct 1 . . . . . 52029 1
N 15 water nitrogen . . . . ppm 118 internal direct 1 . . . . . 52029 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_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52029
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name ZnF456_shifts_assigned
_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 $chem_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' . . . 52029 1
2 '3D HNCA' . . . 52029 1
3 '3D HNCO' . . . 52029 1
4 '3D HNCACO' . . . 52029 1
5 '3D HNCACB' . . . 52029 1
6 '3D HNCOCA' . . . 52029 1
7 '3D CBCA(CO)NH' . . . 52029 1
8 '2D (HB)CB(CG)CD' . . . 52029 1
9 '2D (HB)CB(CGCD)CE' . . . 52029 1
10 '3D H(CCO)NH' . . . 52029 1
11 '3D (H)C(CO)NH' . . . 52029 1
12 '2D 1H-13C HSQC aromatic' . . . 52029 1
13 '3D 13C-separated NOESY' . . . 52029 1
14 '3D 1H-13C NOESY aromatic' . . . 52029 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52029 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 2 2 GLU HA H 1 4.273812502 0.1 . 1 . . . . . 737 GLU HA . 52029 1
2 . 1 . 1 2 2 GLU HB2 H 1 1.896420915 0.1 . 1 . . . . . 737 GLU HB2 . 52029 1
3 . 1 . 1 2 2 GLU HB3 H 1 2.020741861 0.1 . 1 . . . . . 737 GLU HB3 . 52029 1
4 . 1 . 1 2 2 GLU HG2 H 1 2.212292943 0.1 . 1 . . . . . 737 GLU HG2 . 52029 1
5 . 1 . 1 2 2 GLU CA C 13 56.66066808 0.1 . 1 . . . . . 737 GLU CA . 52029 1
6 . 1 . 1 2 2 GLU CB C 13 30.26968604 0.2 . 1 . . . . . 737 GLU CB . 52029 1
7 . 1 . 1 2 2 GLU CG C 13 36.17731932 0.2 . 1 . . . . . 737 GLU CG . 52029 1
8 . 1 . 1 3 3 GLY H H 1 8.478093004 0.025 . 1 . . . . . 738 GLY H . 52029 1
9 . 1 . 1 3 3 GLY HA2 H 1 3.868983625 0.1 . 1 . . . . . 738 GLY HA2 . 52029 1
10 . 1 . 1 3 3 GLY CA C 13 45.22102479 0.1 . 1 . . . . . 738 GLY CA . 52029 1
11 . 1 . 1 3 3 GLY N N 15 110.1972179 0.05 . 1 . . . . . 738 GLY N . 52029 1
12 . 1 . 1 4 4 ARG H H 1 8.19596188 0.025 . 1 . . . . . 739 ARG H . 52029 1
13 . 1 . 1 4 4 ARG HA H 1 4.290801422 0.1 . 1 . . . . . 739 ARG HA . 52029 1
14 . 1 . 1 4 4 ARG HB2 H 1 1.68839567 0.1 . 1 . . . . . 739 ARG HB2 . 52029 1
15 . 1 . 1 4 4 ARG HB3 H 1 1.770768083 0.1 . 1 . . . . . 739 ARG HB3 . 52029 1
16 . 1 . 1 4 4 ARG HG2 H 1 1.542127166 0.1 . 1 . . . . . 739 ARG HG2 . 52029 1
17 . 1 . 1 4 4 ARG HD2 H 1 3.115030619 0.1 . 1 . . . . . 739 ARG HD2 . 52029 1
18 . 1 . 1 4 4 ARG CA C 13 55.87519989 0.1 . 1 . . . . . 739 ARG CA . 52029 1
19 . 1 . 1 4 4 ARG CB C 13 30.8970657 0.2 . 1 . . . . . 739 ARG CB . 52029 1
20 . 1 . 1 4 4 ARG CG C 13 26.96393018 0.2 . 1 . . . . . 739 ARG CG . 52029 1
21 . 1 . 1 4 4 ARG CD C 13 43.28009178 0.2 . 1 . . . . . 739 ARG CD . 52029 1
22 . 1 . 1 4 4 ARG N N 15 121.0014021 0.05 . 1 . . . . . 739 ARG N . 52029 1
23 . 1 . 1 5 5 ARG H H 1 8.599714783 0.025 . 1 . . . . . 740 ARG H . 52029 1
24 . 1 . 1 5 5 ARG HA H 1 4.336375695 0.1 . 1 . . . . . 740 ARG HA . 52029 1
25 . 1 . 1 5 5 ARG HB2 H 1 1.716318522 0.1 . 1 . . . . . 740 ARG HB2 . 52029 1
26 . 1 . 1 5 5 ARG HB3 H 1 1.914570768 0.1 . 1 . . . . . 740 ARG HB3 . 52029 1
27 . 1 . 1 5 5 ARG HG2 H 1 1.589286501 0.1 . 1 . . . . . 740 ARG HG2 . 52029 1
28 . 1 . 1 5 5 ARG HD2 H 1 3.113712429 0.1 . 1 . . . . . 740 ARG HD2 . 52029 1
29 . 1 . 1 5 5 ARG HD3 H 1 3.194093258 0.1 . 1 . . . . . 740 ARG HD3 . 52029 1
30 . 1 . 1 5 5 ARG CA C 13 56.21348411 0.1 . 1 . . . . . 740 ARG CA . 52029 1
31 . 1 . 1 5 5 ARG CB C 13 31.56023342 0.2 . 1 . . . . . 740 ARG CB . 52029 1
32 . 1 . 1 5 5 ARG CG C 13 27.22704037 0.2 . 1 . . . . . 740 ARG CG . 52029 1
33 . 1 . 1 5 5 ARG CD C 13 43.36129827 0.2 . 1 . . . . . 740 ARG CD . 52029 1
34 . 1 . 1 5 5 ARG N N 15 123.4698863 0.05 . 1 . . . . . 740 ARG N . 52029 1
35 . 1 . 1 6 6 SER H H 1 8.499532209 0.025 . 1 . . . . . 741 SER H . 52029 1
36 . 1 . 1 6 6 SER HA H 1 4.360257442 0.1 . 1 . . . . . 741 SER HA . 52029 1
37 . 1 . 1 6 6 SER HB2 H 1 3.79225145 0.1 . 1 . . . . . 741 SER HB2 . 52029 1
38 . 1 . 1 6 6 SER HB3 H 1 3.850640255 0.1 . 1 . . . . . 741 SER HB3 . 52029 1
39 . 1 . 1 6 6 SER CA C 13 58.97532072 0.1 . 1 . . . . . 741 SER CA . 52029 1
40 . 1 . 1 6 6 SER CB C 13 63.7109506 0.2 . 1 . . . . . 741 SER CB . 52029 1
41 . 1 . 1 6 6 SER N N 15 116.7110721 0.05 . 1 . . . . . 741 SER N . 52029 1
42 . 1 . 1 7 7 ASP H H 1 8.065342346 0.025 . 1 . . . . . 742 ASP H . 52029 1
43 . 1 . 1 7 7 ASP HA H 1 4.645822307 0.1 . 1 . . . . . 742 ASP HA . 52029 1
44 . 1 . 1 7 7 ASP HB2 H 1 2.523559318 0.1 . 1 . . . . . 742 ASP HB2 . 52029 1
45 . 1 . 1 7 7 ASP HB3 H 1 3.123925866 0.1 . 1 . . . . . 742 ASP HB3 . 52029 1
46 . 1 . 1 7 7 ASP CA C 13 53.58237133 0.1 . 1 . . . . . 742 ASP CA . 52029 1
47 . 1 . 1 7 7 ASP CB C 13 41.64512117 0.2 . 1 . . . . . 742 ASP CB . 52029 1
48 . 1 . 1 7 7 ASP N N 15 120.243283 0.05 . 1 . . . . . 742 ASP N . 52029 1
49 . 1 . 1 8 8 THR H H 1 7.650751655 0.025 . 1 . . . . . 743 THR H . 52029 1
50 . 1 . 1 8 8 THR HA H 1 4.980428697 0.1 . 1 . . . . . 743 THR HA . 52029 1
51 . 1 . 1 8 8 THR HB H 1 3.767471363 0.1 . 1 . . . . . 743 THR HB . 52029 1
52 . 1 . 1 8 8 THR HG21 H 1 0.9221324498 0.1 . 1 . . . . . 743 THR HG2 . 52029 1
53 . 1 . 1 8 8 THR HG22 H 1 0.9221324498 0.1 . 1 . . . . . 743 THR HG2 . 52029 1
54 . 1 . 1 8 8 THR HG23 H 1 0.9221324498 0.1 . 1 . . . . . 743 THR HG2 . 52029 1
55 . 1 . 1 8 8 THR CA C 13 61.34004173 0.1 . 1 . . . . . 743 THR CA . 52029 1
56 . 1 . 1 8 8 THR CB C 13 71.85058545 0.2 . 1 . . . . . 743 THR CB . 52029 1
57 . 1 . 1 8 8 THR CG2 C 13 20.51924973 0.2 . 1 . . . . . 743 THR CG2 . 52029 1
58 . 1 . 1 8 8 THR N N 15 114.8542565 0.05 . 1 . . . . . 743 THR N . 52029 1
59 . 1 . 1 9 9 CYS H H 1 9.281813296 0.025 . 1 . . . . . 744 CYS H . 52029 1
60 . 1 . 1 9 9 CYS HA H 1 4.245072357 0.1 . 1 . . . . . 744 CYS HA . 52029 1
61 . 1 . 1 9 9 CYS HB2 H 1 2.878860873 0.1 . 1 . . . . . 744 CYS HB2 . 52029 1
62 . 1 . 1 9 9 CYS HB3 H 1 3.405421771 0.1 . 1 . . . . . 744 CYS HB3 . 52029 1
63 . 1 . 1 9 9 CYS CA C 13 60.95855474 0.1 . 1 . . . . . 744 CYS CA . 52029 1
64 . 1 . 1 9 9 CYS CB C 13 30.11103801 0.2 . 1 . . . . . 744 CYS CB . 52029 1
65 . 1 . 1 9 9 CYS N N 15 128.62323 0.05 . 1 . . . . . 744 CYS N . 52029 1
66 . 1 . 1 10 10 GLU H H 1 11.06870802 0.025 . 1 . . . . . 745 GLU H . 52029 1
67 . 1 . 1 10 10 GLU HA H 1 4.131967214 0.1 . 1 . . . . . 745 GLU HA . 52029 1
68 . 1 . 1 10 10 GLU HB2 H 1 1.811256217 0.1 . 1 . . . . . 745 GLU HB2 . 52029 1
69 . 1 . 1 10 10 GLU HB3 H 1 1.890836345 0.1 . 1 . . . . . 745 GLU HB3 . 52029 1
70 . 1 . 1 10 10 GLU HG3 H 1 1.882728185 0.1 . 1 . . . . . 745 GLU HG3 . 52029 1
71 . 1 . 1 10 10 GLU CA C 13 58.42260899 0.1 . 1 . . . . . 745 GLU CA . 52029 1
72 . 1 . 1 10 10 GLU CB C 13 28.0838384 0.2 . 1 . . . . . 745 GLU CB . 52029 1
73 . 1 . 1 10 10 GLU CG C 13 34.910449 0.2 . 1 . . . . . 745 GLU CG . 52029 1
74 . 1 . 1 10 10 GLU N N 15 134.4724398 0.05 . 1 . . . . . 745 GLU N . 52029 1
75 . 1 . 1 11 11 TYR H H 1 9.038208016 0.025 . 1 . . . . . 746 TYR H . 52029 1
76 . 1 . 1 11 11 TYR HA H 1 4.265355603 0.1 . 1 . . . . . 746 TYR HA . 52029 1
77 . 1 . 1 11 11 TYR HB2 H 1 1.646320534 0.1 . 1 . . . . . 746 TYR HB2 . 52029 1
78 . 1 . 1 11 11 TYR HB3 H 1 2.203724712 0.1 . 1 . . . . . 746 TYR HB3 . 52029 1
79 . 1 . 1 11 11 TYR HD1 H 1 6.803831146 0.1 . 3 . . . . . 746 TYR HD# . 52029 1
80 . 1 . 1 11 11 TYR HD2 H 1 6.803831146 0.1 . 3 . . . . . 746 TYR HD# . 52029 1
81 . 1 . 1 11 11 TYR HE1 H 1 6.625085339 0.1 . 3 . . . . . 746 TYR HE# . 52029 1
82 . 1 . 1 11 11 TYR HE2 H 1 6.625085339 0.1 . 3 . . . . . 746 TYR HE# . 52029 1
83 . 1 . 1 11 11 TYR CA C 13 60.09535521 0.1 . 1 . . . . . 746 TYR CA . 52029 1
84 . 1 . 1 11 11 TYR CB C 13 36.97430502 0.2 . 1 . . . . . 746 TYR CB . 52029 1
85 . 1 . 1 11 11 TYR CD1 C 13 132.7658394 0.2 . 3 . . . . . 746 TYR CD# . 52029 1
86 . 1 . 1 11 11 TYR CD2 C 13 132.7658394 0.2 . 3 . . . . . 746 TYR CD# . 52029 1
87 . 1 . 1 11 11 TYR CE1 C 13 117.9754547 0.2 . 3 . . . . . 746 TYR CE# . 52029 1
88 . 1 . 1 11 11 TYR CE2 C 13 117.9754547 0.2 . 3 . . . . . 746 TYR CE# . 52029 1
89 . 1 . 1 11 11 TYR N N 15 122.1959827 0.05 . 1 . . . . . 746 TYR N . 52029 1
90 . 1 . 1 12 12 CYS H H 1 7.981229421 0.025 . 1 . . . . . 747 CYS H . 52029 1
91 . 1 . 1 12 12 CYS HA H 1 5.160462023 0.1 . 1 . . . . . 747 CYS HA . 52029 1
92 . 1 . 1 12 12 CYS HB2 H 1 2.846730447 0.1 . 1 . . . . . 747 CYS HB2 . 52029 1
93 . 1 . 1 12 12 CYS HB3 H 1 3.43869593 0.1 . 1 . . . . . 747 CYS HB3 . 52029 1
94 . 1 . 1 12 12 CYS CA C 13 58.35639194 0.1 . 1 . . . . . 747 CYS CA . 52029 1
95 . 1 . 1 12 12 CYS CB C 13 32.73448753 0.2 . 1 . . . . . 747 CYS CB . 52029 1
96 . 1 . 1 12 12 CYS N N 15 114.8961276 0.05 . 1 . . . . . 747 CYS N . 52029 1
97 . 1 . 1 13 13 GLY H H 1 8.217617264 0.025 . 1 . . . . . 748 GLY H . 52029 1
98 . 1 . 1 13 13 GLY HA2 H 1 3.671014415 0.1 . 1 . . . . . 748 GLY HA2 . 52029 1
99 . 1 . 1 13 13 GLY HA3 H 1 4.144549035 0.1 . 1 . . . . . 748 GLY HA3 . 52029 1
100 . 1 . 1 13 13 GLY CA C 13 46.1456269 0.1 . 1 . . . . . 748 GLY CA . 52029 1
101 . 1 . 1 13 13 GLY N N 15 113.3508122 0.05 . 1 . . . . . 748 GLY N . 52029 1
102 . 1 . 1 14 14 LYS H H 1 7.914276779 0.025 . 1 . . . . . 749 LYS H . 52029 1
103 . 1 . 1 14 14 LYS HA H 1 3.988953031 0.1 . 1 . . . . . 749 LYS HA . 52029 1
104 . 1 . 1 14 14 LYS HB2 H 1 1.247241111 0.1 . 1 . . . . . 749 LYS HB2 . 52029 1
105 . 1 . 1 14 14 LYS HB3 H 1 1.529713787 0.1 . 1 . . . . . 749 LYS HB3 . 52029 1
106 . 1 . 1 14 14 LYS HG2 H 1 0.8917664946 0.1 . 1 . . . . . 749 LYS HG2 . 52029 1
107 . 1 . 1 14 14 LYS HG3 H 1 1.35411671 0.1 . 1 . . . . . 749 LYS HG3 . 52029 1
108 . 1 . 1 14 14 LYS HD2 H 1 1.267525918 0.1 . 1 . . . . . 749 LYS HD2 . 52029 1
109 . 1 . 1 14 14 LYS HD3 H 1 1.419797368 0.1 . 1 . . . . . 749 LYS HD3 . 52029 1
110 . 1 . 1 14 14 LYS HE2 H 1 2.72957074 0.1 . 1 . . . . . 749 LYS HE2 . 52029 1
111 . 1 . 1 14 14 LYS HE3 H 1 2.807261447 0.1 . 1 . . . . . 749 LYS HE3 . 52029 1
112 . 1 . 1 14 14 LYS CA C 13 58.22844816 0.1 . 1 . . . . . 749 LYS CA . 52029 1
113 . 1 . 1 14 14 LYS CB C 13 34.18566872 0.2 . 1 . . . . . 749 LYS CB . 52029 1
114 . 1 . 1 14 14 LYS CG C 13 26.03403367 0.2 . 1 . . . . . 749 LYS CG . 52029 1
115 . 1 . 1 14 14 LYS CD C 13 29.27868023 0.2 . 1 . . . . . 749 LYS CD . 52029 1
116 . 1 . 1 14 14 LYS CE C 13 42.04711317 0.2 . 1 . . . . . 749 LYS CE . 52029 1
117 . 1 . 1 14 14 LYS N N 15 122.6891472 0.05 . 1 . . . . . 749 LYS N . 52029 1
118 . 1 . 1 15 15 VAL H H 1 7.892096084 0.025 . 1 . . . . . 750 VAL H . 52029 1
119 . 1 . 1 15 15 VAL HA H 1 4.471991688 0.1 . 1 . . . . . 750 VAL HA . 52029 1
120 . 1 . 1 15 15 VAL HB H 1 1.638339598 0.1 . 1 . . . . . 750 VAL HB . 52029 1
121 . 1 . 1 15 15 VAL HG11 H 1 0.6905695714 0.1 . 2 . . . . . 750 VAL HG1# . 52029 1
122 . 1 . 1 15 15 VAL HG12 H 1 0.6905695714 0.1 . 2 . . . . . 750 VAL HG1# . 52029 1
123 . 1 . 1 15 15 VAL HG13 H 1 0.6905695714 0.1 . 2 . . . . . 750 VAL HG1# . 52029 1
124 . 1 . 1 15 15 VAL CA C 13 61.61372685 0.1 . 1 . . . . . 750 VAL CA . 52029 1
125 . 1 . 1 15 15 VAL CB C 13 33.34126054 0.2 . 1 . . . . . 750 VAL CB . 52029 1
126 . 1 . 1 15 15 VAL CG1 C 13 21.24798227 0.2 . 1 . . . . . 750 VAL CG1 . 52029 1
127 . 1 . 1 15 15 VAL CG2 C 13 21.37296158 0.2 . 1 . . . . . 750 VAL CG2 . 52029 1
128 . 1 . 1 15 15 VAL N N 15 123.241589 0.05 . 1 . . . . . 750 VAL N . 52029 1
129 . 1 . 1 16 16 PHE H H 1 8.895327352 0.025 . 1 . . . . . 751 PHE H . 52029 1
130 . 1 . 1 16 16 PHE HD1 H 1 7.182412487 0.1 . 3 . . . . . 751 PHE HD# . 52029 1
131 . 1 . 1 16 16 PHE HD2 H 1 7.182412487 0.1 . 3 . . . . . 751 PHE HD# . 52029 1
132 . 1 . 1 16 16 PHE HE1 H 1 6.71177365 0.1 . 3 . . . . . 751 PHE HE# . 52029 1
133 . 1 . 1 16 16 PHE HE2 H 1 6.71177365 0.1 . 3 . . . . . 751 PHE HE# . 52029 1
134 . 1 . 1 16 16 PHE CB C 13 42.38919161 0.2 . 1 . . . . . 751 PHE CB . 52029 1
135 . 1 . 1 16 16 PHE CD1 C 13 132.094195 0.2 . 3 . . . . . 751 PHE CD# . 52029 1
136 . 1 . 1 16 16 PHE CD2 C 13 132.094195 0.2 . 3 . . . . . 751 PHE CD# . 52029 1
137 . 1 . 1 16 16 PHE CE1 C 13 130.3939185 0.2 . 3 . . . . . 751 PHE CE# . 52029 1
138 . 1 . 1 16 16 PHE CE2 C 13 130.3939185 0.2 . 3 . . . . . 751 PHE CE# . 52029 1
139 . 1 . 1 16 16 PHE N N 15 125.5506602 0.05 . 1 . . . . . 751 PHE N . 52029 1
140 . 1 . 1 17 17 LYS H H 1 8.678108715 0.025 . 1 . . . . . 752 LYS H . 52029 1
141 . 1 . 1 17 17 LYS HA H 1 4.190416529 0.1 . 1 . . . . . 752 LYS HA . 52029 1
142 . 1 . 1 17 17 LYS HB2 H 1 1.760442245 0.1 . 1 . . . . . 752 LYS HB2 . 52029 1
143 . 1 . 1 17 17 LYS HB3 H 1 1.853432906 0.1 . 1 . . . . . 752 LYS HB3 . 52029 1
144 . 1 . 1 17 17 LYS HG2 H 1 1.388643899 0.1 . 1 . . . . . 752 LYS HG2 . 52029 1
145 . 1 . 1 17 17 LYS HG3 H 1 1.44470592 0.1 . 1 . . . . . 752 LYS HG3 . 52029 1
146 . 1 . 1 17 17 LYS HD2 H 1 1.617482427 0.1 . 1 . . . . . 752 LYS HD2 . 52029 1
147 . 1 . 1 17 17 LYS HE2 H 1 2.904899357 0.1 . 1 . . . . . 752 LYS HE2 . 52029 1
148 . 1 . 1 17 17 LYS CA C 13 57.31005663 0.1 . 1 . . . . . 752 LYS CA . 52029 1
149 . 1 . 1 17 17 LYS CB C 13 32.81530984 0.2 . 1 . . . . . 752 LYS CB . 52029 1
150 . 1 . 1 17 17 LYS CG C 13 25.01747222 0.2 . 1 . . . . . 752 LYS CG . 52029 1
151 . 1 . 1 17 17 LYS CD C 13 28.88880685 0.2 . 1 . . . . . 752 LYS CD . 52029 1
152 . 1 . 1 17 17 LYS CE C 13 42.06096177 0.2 . 1 . . . . . 752 LYS CE . 52029 1
153 . 1 . 1 17 17 LYS N N 15 121.2769863 0.05 . 1 . . . . . 752 LYS N . 52029 1
154 . 1 . 1 18 18 ASN H H 1 7.918870296 0.025 . 1 . . . . . 753 ASN H . 52029 1
155 . 1 . 1 18 18 ASN N N 15 115.6891887 0.05 . 1 . . . . . 753 ASN N . 52029 1
156 . 1 . 1 19 19 CYS H H 1 8.939714002 0.025 . 1 . . . . . 754 CYS H . 52029 1
157 . 1 . 1 19 19 CYS N N 15 123.2289689 0.05 . 1 . . . . . 754 CYS N . 52029 1
158 . 1 . 1 20 20 SER H H 1 8.483557531 0.025 . 1 . . . . . 755 SER H . 52029 1
159 . 1 . 1 20 20 SER HA H 1 4.23027513 0.1 . 1 . . . . . 755 SER HA . 52029 1
160 . 1 . 1 20 20 SER HB2 H 1 3.954433893 0.1 . 1 . . . . . 755 SER HB2 . 52029 1
161 . 1 . 1 20 20 SER CA C 13 61.62320028 0.1 . 1 . . . . . 755 SER CA . 52029 1
162 . 1 . 1 20 20 SER CB C 13 64.45907389 0.2 . 1 . . . . . 755 SER CB . 52029 1
163 . 1 . 1 20 20 SER N N 15 118.8874801 0.05 . 1 . . . . . 755 SER N . 52029 1
164 . 1 . 1 21 21 ASN H H 1 8.038129245 0.025 . 1 . . . . . 756 ASN H . 52029 1
165 . 1 . 1 21 21 ASN HA H 1 4.433292344 0.1 . 1 . . . . . 756 ASN HA . 52029 1
166 . 1 . 1 21 21 ASN HB2 H 1 2.877223535 0.1 . 1 . . . . . 756 ASN HB2 . 52029 1
167 . 1 . 1 21 21 ASN HB3 H 1 2.981522763 0.1 . 1 . . . . . 756 ASN HB3 . 52029 1
168 . 1 . 1 21 21 ASN CA C 13 55.06015627 0.1 . 1 . . . . . 756 ASN CA . 52029 1
169 . 1 . 1 21 21 ASN CB C 13 38.01690018 0.2 . 1 . . . . . 756 ASN CB . 52029 1
170 . 1 . 1 21 21 ASN N N 15 119.4128799 0.05 . 1 . . . . . 756 ASN N . 52029 1
171 . 1 . 1 22 22 LEU H H 1 7.441814525 0.025 . 1 . . . . . 757 LEU H . 52029 1
172 . 1 . 1 22 22 LEU HA H 1 3.107519968 0.1 . 1 . . . . . 757 LEU HA . 52029 1
173 . 1 . 1 22 22 LEU HB2 H 1 1.195709551 0.1 . 1 . . . . . 757 LEU HB2 . 52029 1
174 . 1 . 1 22 22 LEU HB3 H 1 1.944320427 0.1 . 1 . . . . . 757 LEU HB3 . 52029 1
175 . 1 . 1 22 22 LEU HG H 1 1.360716034 0.1 . 1 . . . . . 757 LEU HG . 52029 1
176 . 1 . 1 22 22 LEU HD11 H 1 0.7942327937 0.1 . 2 . . . . . 757 LEU HD1# . 52029 1
177 . 1 . 1 22 22 LEU HD12 H 1 0.7942327937 0.1 . 2 . . . . . 757 LEU HD1# . 52029 1
178 . 1 . 1 22 22 LEU HD13 H 1 0.7942327937 0.1 . 2 . . . . . 757 LEU HD1# . 52029 1
179 . 1 . 1 22 22 LEU HD21 H 1 0.8202865236 0.1 . 2 . . . . . 757 LEU HD2# . 52029 1
180 . 1 . 1 22 22 LEU HD22 H 1 0.8202865236 0.1 . 2 . . . . . 757 LEU HD2# . 52029 1
181 . 1 . 1 22 22 LEU HD23 H 1 0.8202865236 0.1 . 2 . . . . . 757 LEU HD2# . 52029 1
182 . 1 . 1 22 22 LEU CA C 13 57.84650818 0.1 . 1 . . . . . 757 LEU CA . 52029 1
183 . 1 . 1 22 22 LEU CB C 13 40.37037642 0.2 . 1 . . . . . 757 LEU CB . 52029 1
184 . 1 . 1 22 22 LEU CG C 13 27.33803396 0.2 . 1 . . . . . 757 LEU CG . 52029 1
185 . 1 . 1 22 22 LEU CD1 C 13 22.54524667 0.2 . 1 . . . . . 757 LEU CD1 . 52029 1
186 . 1 . 1 22 22 LEU CD2 C 13 26.43785317 0.2 . 1 . . . . . 757 LEU CD2 . 52029 1
187 . 1 . 1 22 22 LEU N N 15 122.8795203 0.05 . 1 . . . . . 757 LEU N . 52029 1
188 . 1 . 1 23 23 THR H H 1 8.156387689 0.025 . 1 . . . . . 758 THR H . 52029 1
189 . 1 . 1 23 23 THR HA H 1 3.728215543 0.1 . 1 . . . . . 758 THR HA . 52029 1
190 . 1 . 1 23 23 THR HG21 H 1 1.164060697 0.1 . 1 . . . . . 758 THR HG2 . 52029 1
191 . 1 . 1 23 23 THR HG22 H 1 1.164060697 0.1 . 1 . . . . . 758 THR HG2 . 52029 1
192 . 1 . 1 23 23 THR HG23 H 1 1.164060697 0.1 . 1 . . . . . 758 THR HG2 . 52029 1
193 . 1 . 1 23 23 THR CA C 13 67.10857127 0.1 . 1 . . . . . 758 THR CA . 52029 1
194 . 1 . 1 23 23 THR CB C 13 68.78528502 0.2 . 1 . . . . . 758 THR CB . 52029 1
195 . 1 . 1 23 23 THR CG2 C 13 21.60993724 0.2 . 1 . . . . . 758 THR CG2 . 52029 1
196 . 1 . 1 23 23 THR N N 15 116.820506 0.05 . 1 . . . . . 758 THR N . 52029 1
197 . 1 . 1 24 24 VAL H H 1 7.448386199 0.025 . 1 . . . . . 759 VAL H . 52029 1
198 . 1 . 1 24 24 VAL HA H 1 3.484314792 0.1 . 1 . . . . . 759 VAL HA . 52029 1
199 . 1 . 1 24 24 VAL HB H 1 1.920490683 0.1 . 1 . . . . . 759 VAL HB . 52029 1
200 . 1 . 1 24 24 VAL HG11 H 1 0.8605442767 0.1 . 2 . . . . . 759 VAL HG1# . 52029 1
201 . 1 . 1 24 24 VAL HG12 H 1 0.8605442767 0.1 . 2 . . . . . 759 VAL HG1# . 52029 1
202 . 1 . 1 24 24 VAL HG13 H 1 0.8605442767 0.1 . 2 . . . . . 759 VAL HG1# . 52029 1
203 . 1 . 1 24 24 VAL HG21 H 1 0.995746029 0.1 . 2 . . . . . 759 VAL HG2# . 52029 1
204 . 1 . 1 24 24 VAL HG22 H 1 0.995746029 0.1 . 2 . . . . . 759 VAL HG2# . 52029 1
205 . 1 . 1 24 24 VAL HG23 H 1 0.995746029 0.1 . 2 . . . . . 759 VAL HG2# . 52029 1
206 . 1 . 1 24 24 VAL CA C 13 66.37862177 0.1 . 1 . . . . . 759 VAL CA . 52029 1
207 . 1 . 1 24 24 VAL CB C 13 32.09619475 0.2 . 1 . . . . . 759 VAL CB . 52029 1
208 . 1 . 1 24 24 VAL CG1 C 13 20.96868267 0.2 . 1 . . . . . 759 VAL CG1 . 52029 1
209 . 1 . 1 24 24 VAL CG2 C 13 22.41027404 0.2 . 1 . . . . . 759 VAL CG2 . 52029 1
210 . 1 . 1 24 24 VAL N N 15 120.0803366 0.05 . 1 . . . . . 759 VAL N . 52029 1
211 . 1 . 1 25 25 HIS H H 1 7.85303286 0.025 . 1 . . . . . 760 HIS H . 52029 1
212 . 1 . 1 25 25 HIS HA H 1 4.111114821 0.1 . 1 . . . . . 760 HIS HA . 52029 1
213 . 1 . 1 25 25 HIS HB2 H 1 2.898265635 0.1 . 1 . . . . . 760 HIS HB2 . 52029 1
214 . 1 . 1 25 25 HIS HD2 H 1 6.950683768 0.1 . 1 . . . . . 760 HIS HD2 . 52029 1
215 . 1 . 1 25 25 HIS CA C 13 59.69206916 0.1 . 1 . . . . . 760 HIS CA . 52029 1
216 . 1 . 1 25 25 HIS CB C 13 28.32658905 0.2 . 1 . . . . . 760 HIS CB . 52029 1
217 . 1 . 1 25 25 HIS CD2 C 13 127.5788152 0.2 . 1 . . . . . 760 HIS CD2 . 52029 1
218 . 1 . 1 25 25 HIS N N 15 119.9194189 0.05 . 1 . . . . . 760 HIS N . 52029 1
219 . 1 . 1 26 26 ARG H H 1 8.949084694 0.025 . 1 . . . . . 761 ARG H . 52029 1
220 . 1 . 1 26 26 ARG HA H 1 3.800455223 0.1 . 1 . . . . . 761 ARG HA . 52029 1
221 . 1 . 1 26 26 ARG HB2 H 1 1.984519424 0.1 . 1 . . . . . 761 ARG HB2 . 52029 1
222 . 1 . 1 26 26 ARG HB3 H 1 2.019146741 0.1 . 1 . . . . . 761 ARG HB3 . 52029 1
223 . 1 . 1 26 26 ARG HD2 H 1 3.328061397 0.1 . 1 . . . . . 761 ARG HD2 . 52029 1
224 . 1 . 1 26 26 ARG CA C 13 60.82778222 0.1 . 1 . . . . . 761 ARG CA . 52029 1
225 . 1 . 1 26 26 ARG CB C 13 30.77068016 0.2 . 1 . . . . . 761 ARG CB . 52029 1
226 . 1 . 1 26 26 ARG CG C 13 29.86271858 0.2 . 1 . . . . . 761 ARG CG . 52029 1
227 . 1 . 1 26 26 ARG CD C 13 43.78388519 0.2 . 1 . . . . . 761 ARG CD . 52029 1
228 . 1 . 1 26 26 ARG N N 15 120.605575 0.05 . 1 . . . . . 761 ARG N . 52029 1
229 . 1 . 1 27 27 ARG H H 1 7.245058342 0.025 . 1 . . . . . 762 ARG H . 52029 1
230 . 1 . 1 27 27 ARG HA H 1 4.089086371 0.1 . 1 . . . . . 762 ARG HA . 52029 1
231 . 1 . 1 27 27 ARG HB2 H 1 1.801811602 0.1 . 1 . . . . . 762 ARG HB2 . 52029 1
232 . 1 . 1 27 27 ARG HB3 H 1 1.843887424 0.1 . 1 . . . . . 762 ARG HB3 . 52029 1
233 . 1 . 1 27 27 ARG HG2 H 1 1.60074833 0.1 . 1 . . . . . 762 ARG HG2 . 52029 1
234 . 1 . 1 27 27 ARG HD2 H 1 3.111979542 0.1 . 1 . . . . . 762 ARG HD2 . 52029 1
235 . 1 . 1 27 27 ARG CA C 13 58.31134114 0.1 . 1 . . . . . 762 ARG CA . 52029 1
236 . 1 . 1 27 27 ARG CB C 13 29.70439677 0.2 . 1 . . . . . 762 ARG CB . 52029 1
237 . 1 . 1 27 27 ARG CG C 13 27.91247988 0.2 . 1 . . . . . 762 ARG CG . 52029 1
238 . 1 . 1 27 27 ARG CD C 13 43.80777868 0.2 . 1 . . . . . 762 ARG CD . 52029 1
239 . 1 . 1 27 27 ARG N N 15 116.4402698 0.05 . 1 . . . . . 762 ARG N . 52029 1
240 . 1 . 1 28 28 SER H H 1 7.739115432 0.025 . 1 . . . . . 763 SER H . 52029 1
241 . 1 . 1 28 28 SER HA H 1 4.062213116 0.1 . 1 . . . . . 763 SER HA . 52029 1
242 . 1 . 1 28 28 SER HB2 H 1 3.586245511 0.1 . 1 . . . . . 763 SER HB2 . 52029 1
243 . 1 . 1 28 28 SER HB3 H 1 3.677145967 0.1 . 1 . . . . . 763 SER HB3 . 52029 1
244 . 1 . 1 28 28 SER CA C 13 60.57970842 0.1 . 1 . . . . . 763 SER CA . 52029 1
245 . 1 . 1 28 28 SER CB C 13 62.94953188 0.2 . 1 . . . . . 763 SER CB . 52029 1
246 . 1 . 1 28 28 SER N N 15 114.6895479 0.05 . 1 . . . . . 763 SER N . 52029 1
247 . 1 . 1 29 29 HIS H H 1 7.138929713 0.025 . 1 . . . . . 764 HIS H . 52029 1
248 . 1 . 1 29 29 HIS HA H 1 4.499210144 0.1 . 1 . . . . . 764 HIS HA . 52029 1
249 . 1 . 1 29 29 HIS HB2 H 1 2.147505115 0.1 . 1 . . . . . 764 HIS HB2 . 52029 1
250 . 1 . 1 29 29 HIS HB3 H 1 2.364942836 0.1 . 1 . . . . . 764 HIS HB3 . 52029 1
251 . 1 . 1 29 29 HIS HD2 H 1 6.498798999 0.1 . 1 . . . . . 764 HIS HD2 . 52029 1
252 . 1 . 1 29 29 HIS CA C 13 55.5442763 0.1 . 1 . . . . . 764 HIS CA . 52029 1
253 . 1 . 1 29 29 HIS CB C 13 27.94396406 0.2 . 1 . . . . . 764 HIS CB . 52029 1
254 . 1 . 1 29 29 HIS CD2 C 13 128.418574 0.2 . 1 . . . . . 764 HIS CD2 . 52029 1
255 . 1 . 1 29 29 HIS N N 15 119.2715367 0.05 . 1 . . . . . 764 HIS N . 52029 1
256 . 1 . 1 30 30 THR H H 1 7.558464716 0.025 . 1 . . . . . 765 THR H . 52029 1
257 . 1 . 1 30 30 THR HA H 1 4.123695907 0.1 . 1 . . . . . 765 THR HA . 52029 1
258 . 1 . 1 30 30 THR HG21 H 1 1.084561834 0.1 . 1 . . . . . 765 THR HG2 . 52029 1
259 . 1 . 1 30 30 THR HG22 H 1 1.084561834 0.1 . 1 . . . . . 765 THR HG2 . 52029 1
260 . 1 . 1 30 30 THR HG23 H 1 1.084561834 0.1 . 1 . . . . . 765 THR HG2 . 52029 1
261 . 1 . 1 30 30 THR CA C 13 62.37128508 0.1 . 1 . . . . . 765 THR CA . 52029 1
262 . 1 . 1 30 30 THR CB C 13 69.4504859 0.2 . 1 . . . . . 765 THR CB . 52029 1
263 . 1 . 1 30 30 THR CG2 C 13 21.25296446 0.2 . 1 . . . . . 765 THR CG2 . 52029 1
264 . 1 . 1 30 30 THR N N 15 111.6624395 0.05 . 1 . . . . . 765 THR N . 52029 1
265 . 1 . 1 31 31 GLY H H 1 8.221736919 0.025 . 1 . . . . . 766 GLY H . 52029 1
266 . 1 . 1 31 31 GLY HA2 H 1 3.788533756 0.1 . 1 . . . . . 766 GLY HA2 . 52029 1
267 . 1 . 1 31 31 GLY CA C 13 45.13101372 0.1 . 1 . . . . . 766 GLY CA . 52029 1
268 . 1 . 1 31 31 GLY N N 15 110.4794825 0.05 . 1 . . . . . 766 GLY N . 52029 1
269 . 1 . 1 32 32 GLU H H 1 8.01919465 0.025 . 1 . . . . . 767 GLU H . 52029 1
270 . 1 . 1 32 32 GLU HA H 1 4.075834384 0.1 . 1 . . . . . 767 GLU HA . 52029 1
271 . 1 . 1 32 32 GLU HB2 H 1 1.838323247 0.1 . 1 . . . . . 767 GLU HB2 . 52029 1
272 . 1 . 1 32 32 GLU HB3 H 1 2.123046565 0.1 . 1 . . . . . 767 GLU HB2 . 52029 1
273 . 1 . 1 32 32 GLU HG2 H 1 2.122947341 0.1 . 1 . . . . . 767 GLU HG2 . 52029 1
274 . 1 . 1 32 32 GLU HG3 H 1 2.163045105 0.1 . 1 . . . . . 767 GLU HG3 . 52029 1
275 . 1 . 1 32 32 GLU CA C 13 57.04538989 0.1 . 1 . . . . . 767 GLU CA . 52029 1
276 . 1 . 1 32 32 GLU CB C 13 30.02224089 0.2 . 1 . . . . . 767 GLU CB . 52029 1
277 . 1 . 1 32 32 GLU CG C 13 36.37407721 0.2 . 1 . . . . . 767 GLU CG . 52029 1
278 . 1 . 1 32 32 GLU N N 15 119.476216 0.05 . 1 . . . . . 767 GLU N . 52029 1
279 . 1 . 1 33 33 ARG H H 1 8.32927143 0.025 . 1 . . . . . 768 ARG H . 52029 1
280 . 1 . 1 33 33 ARG N N 15 120.5303471 0.05 . 1 . . . . . 768 ARG N . 52029 1
281 . 1 . 1 34 34 PRO HA H 1 4.145858479 0.1 . 1 . . . . . 769 PRO HA . 52029 1
282 . 1 . 1 34 34 PRO HB2 H 1 1.230067763 0.1 . 1 . . . . . 769 PRO HB2 . 52029 1
283 . 1 . 1 34 34 PRO HB3 H 1 1.860108197 0.1 . 1 . . . . . 769 PRO HB3 . 52029 1
284 . 1 . 1 34 34 PRO HG2 H 1 1.54718387 0.1 . 1 . . . . . 769 PRO HG2 . 52029 1
285 . 1 . 1 34 34 PRO HG3 H 1 1.742315769 0.1 . 1 . . . . . 769 PRO HG3 . 52029 1
286 . 1 . 1 34 34 PRO HD2 H 1 3.443617384 0.1 . 1 . . . . . 769 PRO HD2 . 52029 1
287 . 1 . 1 34 34 PRO HD3 H 1 3.485639274 0.1 . 1 . . . . . 769 PRO HD3 . 52029 1
288 . 1 . 1 34 34 PRO CA C 13 63.67793655 0.1 . 1 . . . . . 769 PRO CA . 52029 1
289 . 1 . 1 34 34 PRO CB C 13 32.14066365 0.2 . 1 . . . . . 769 PRO CB . 52029 1
290 . 1 . 1 34 34 PRO CG C 13 26.62090642 0.2 . 1 . . . . . 769 PRO CG . 52029 1
291 . 1 . 1 34 34 PRO CD C 13 50.21228935 0.2 . 1 . . . . . 769 PRO CD . 52029 1
292 . 1 . 1 35 35 TYR H H 1 7.785706449 0.025 . 1 . . . . . 770 TYR H . 52029 1
293 . 1 . 1 35 35 TYR HA H 1 4.460671482 0.1 . 1 . . . . . 770 TYR HA . 52029 1
294 . 1 . 1 35 35 TYR HB2 H 1 2.688499236 0.1 . 1 . . . . . 770 TYR HB2 . 52029 1
295 . 1 . 1 35 35 TYR HB3 H 1 2.969351344 0.1 . 1 . . . . . 770 TYR HB3 . 52029 1
296 . 1 . 1 35 35 TYR HD1 H 1 6.880114466 0.1 . 3 . . . . . 770 TYR HD# . 52029 1
297 . 1 . 1 35 35 TYR HD2 H 1 6.880114466 0.1 . 3 . . . . . 770 TYR HD# . 52029 1
298 . 1 . 1 35 35 TYR HE1 H 1 6.731471301 0.1 . 3 . . . . . 770 TYR HE# . 52029 1
299 . 1 . 1 35 35 TYR HE2 H 1 6.731471301 0.1 . 3 . . . . . 770 TYR HE# . 52029 1
300 . 1 . 1 35 35 TYR CA C 13 58.05197783 0.1 . 1 . . . . . 770 TYR CA . 52029 1
301 . 1 . 1 35 35 TYR CB C 13 38.06499207 0.2 . 1 . . . . . 770 TYR CB . 52029 1
302 . 1 . 1 35 35 TYR CD1 C 13 132.8017239 0.2 . 3 . . . . . 770 TYR CD# . 52029 1
303 . 1 . 1 35 35 TYR CD2 C 13 132.8017239 0.2 . 3 . . . . . 770 TYR CD# . 52029 1
304 . 1 . 1 35 35 TYR CE1 C 13 118.0697187 0.2 . 3 . . . . . 770 TYR CE# . 52029 1
305 . 1 . 1 35 35 TYR CE2 C 13 118.0697187 0.2 . 3 . . . . . 770 TYR CE# . 52029 1
306 . 1 . 1 35 35 TYR N N 15 118.8358468 0.05 . 1 . . . . . 770 TYR N . 52029 1
307 . 1 . 1 36 36 LYS H H 1 8.297630107 0.025 . 1 . . . . . 771 LYS H . 52029 1
308 . 1 . 1 36 36 LYS HA H 1 4.84272798 0.1 . 1 . . . . . 771 LYS HA . 52029 1
309 . 1 . 1 36 36 LYS HB2 H 1 1.577349956 0.1 . 1 . . . . . 771 LYS HB2 . 52029 1
310 . 1 . 1 36 36 LYS HB3 H 1 1.810702076 0.1 . 1 . . . . . 771 LYS HB3 . 52029 1
311 . 1 . 1 36 36 LYS HG2 H 1 1.277236418 0.1 . 1 . . . . . 771 LYS HG2 . 52029 1
312 . 1 . 1 36 36 LYS HG3 H 1 1.315354798 0.1 . 1 . . . . . 771 LYS HG3 . 52029 1
313 . 1 . 1 36 36 LYS HD2 H 1 1.549737713 0.1 . 1 . . . . . 771 LYS HD2 . 52029 1
314 . 1 . 1 36 36 LYS HD3 H 1 1.615838965 0.1 . 1 . . . . . 771 LYS HD3 . 52029 1
315 . 1 . 1 36 36 LYS HE2 H 1 2.892016528 0.1 . 1 . . . . . 771 LYS HE2 . 52029 1
316 . 1 . 1 36 36 LYS CA C 13 54.61722322 0.1 . 1 . . . . . 771 LYS CA . 52029 1
317 . 1 . 1 36 36 LYS CB C 13 35.01382772 0.2 . 1 . . . . . 771 LYS CB . 52029 1
318 . 1 . 1 36 36 LYS CG C 13 24.51602324 0.2 . 1 . . . . . 771 LYS CG . 52029 1
319 . 1 . 1 36 36 LYS CD C 13 28.97734205 0.2 . 1 . . . . . 771 LYS CD . 52029 1
320 . 1 . 1 36 36 LYS CE C 13 42.2599721 0.2 . 1 . . . . . 771 LYS CE . 52029 1
321 . 1 . 1 36 36 LYS N N 15 123.4628671 0.05 . 1 . . . . . 771 LYS N . 52029 1
322 . 1 . 1 37 37 CYS H H 1 8.718330859 0.025 . 1 . . . . . 772 CYS H . 52029 1
323 . 1 . 1 37 37 CYS HA H 1 4.314783157 0.1 . 1 . . . . . 772 CYS HA . 52029 1
324 . 1 . 1 37 37 CYS HB2 H 1 2.702329081 0.1 . 1 . . . . . 772 CYS HB2 . 52029 1
325 . 1 . 1 37 37 CYS HB3 H 1 3.306014383 0.1 . 1 . . . . . 772 CYS HB3 . 52029 1
326 . 1 . 1 37 37 CYS CA C 13 60.11507494 0.1 . 1 . . . . . 772 CYS CA . 52029 1
327 . 1 . 1 37 37 CYS CB C 13 30.52418742 0.2 . 1 . . . . . 772 CYS CB . 52029 1
328 . 1 . 1 37 37 CYS N N 15 127.2754041 0.05 . 1 . . . . . 772 CYS N . 52029 1
329 . 1 . 1 38 38 GLU H H 1 8.938493391 0.025 . 1 . . . . . 773 GLU H . 52029 1
330 . 1 . 1 38 38 GLU HA H 1 4.28791002 0.1 . 1 . . . . . 773 GLU HA . 52029 1
331 . 1 . 1 38 38 GLU HB2 H 1 1.948019222 0.1 . 1 . . . . . 773 GLU HB2 . 52029 1
332 . 1 . 1 38 38 GLU HB3 H 1 2.116473563 0.1 . 1 . . . . . 773 GLU HB3 . 52029 1
333 . 1 . 1 38 38 GLU HG2 H 1 2.296465226 0.1 . 1 . . . . . 773 GLU HG2 . 52029 1
334 . 1 . 1 38 38 GLU HG3 H 1 2.343977869 0.1 . 1 . . . . . 773 GLU HG3 . 52029 1
335 . 1 . 1 38 38 GLU CA C 13 57.96768595 0.1 . 1 . . . . . 773 GLU CA . 52029 1
336 . 1 . 1 38 38 GLU CB C 13 30.53318089 0.2 . 1 . . . . . 773 GLU CB . 52029 1
337 . 1 . 1 38 38 GLU CG C 13 36.60174596 0.2 . 1 . . . . . 773 GLU CG . 52029 1
338 . 1 . 1 38 38 GLU N N 15 126.5101713 0.05 . 1 . . . . . 773 GLU N . 52029 1
339 . 1 . 1 39 39 LEU H H 1 9.698612276 0.025 . 1 . . . . . 774 LEU H . 52029 1
340 . 1 . 1 39 39 LEU HA H 1 4.311714881 0.1 . 1 . . . . . 774 LEU HA . 52029 1
341 . 1 . 1 39 39 LEU HB2 H 1 0.7636949662 0.1 . 1 . . . . . 774 LEU HB2 . 52029 1
342 . 1 . 1 39 39 LEU HB3 H 1 0.9294407334 0.1 . 1 . . . . . 774 LEU HB3 . 52029 1
343 . 1 . 1 39 39 LEU HG H 1 1.310481089 0.1 . 1 . . . . . 774 LEU HG . 52029 1
344 . 1 . 1 39 39 LEU HD11 H 1 0.4657716192 0.1 . 2 . . . . . 774 LEU HD1# . 52029 1
345 . 1 . 1 39 39 LEU HD12 H 1 0.4657716192 0.1 . 2 . . . . . 774 LEU HD1# . 52029 1
346 . 1 . 1 39 39 LEU HD13 H 1 0.4657716192 0.1 . 2 . . . . . 774 LEU HD1# . 52029 1
347 . 1 . 1 39 39 LEU HD21 H 1 0.6150550246 0.1 . 2 . . . . . 774 LEU HD2# . 52029 1
348 . 1 . 1 39 39 LEU HD22 H 1 0.6150550246 0.1 . 2 . . . . . 774 LEU HD2# . 52029 1
349 . 1 . 1 39 39 LEU HD23 H 1 0.6150550246 0.1 . 2 . . . . . 774 LEU HD2# . 52029 1
350 . 1 . 1 39 39 LEU CA C 13 55.68368664 0.1 . 1 . . . . . 774 LEU CA . 52029 1
351 . 1 . 1 39 39 LEU CB C 13 42.80823236 0.2 . 1 . . . . . 774 LEU CB . 52029 1
352 . 1 . 1 39 39 LEU CG C 13 27.12077642 0.2 . 1 . . . . . 774 LEU CG . 52029 1
353 . 1 . 1 39 39 LEU CD1 C 13 25.04585986 0.2 . 1 . . . . . 774 LEU CD1 . 52029 1
354 . 1 . 1 39 39 LEU CD2 C 13 22.5487917 0.2 . 1 . . . . . 774 LEU CD2 . 52029 1
355 . 1 . 1 39 39 LEU N N 15 122.5276382 0.05 . 1 . . . . . 774 LEU N . 52029 1
356 . 1 . 1 40 40 CYS H H 1 8.035079299 0.025 . 1 . . . . . 775 CYS H . 52029 1
357 . 1 . 1 40 40 CYS HA H 1 4.89911317 0.1 . 1 . . . . . 775 CYS HA . 52029 1
358 . 1 . 1 40 40 CYS HB2 H 1 3.041843281 0.1 . 1 . . . . . 775 CYS HB2 . 52029 1
359 . 1 . 1 40 40 CYS HB3 H 1 3.302377542 0.1 . 1 . . . . . 775 CYS HB3 . 52029 1
360 . 1 . 1 40 40 CYS CA C 13 58.42841124 0.1 . 1 . . . . . 775 CYS CA . 52029 1
361 . 1 . 1 40 40 CYS CB C 13 30.36065492 0.2 . 1 . . . . . 775 CYS CB . 52029 1
362 . 1 . 1 40 40 CYS N N 15 120.4721683 0.05 . 1 . . . . . 775 CYS N . 52029 1
363 . 1 . 1 41 41 ASN H H 1 8.080861002 0.025 . 1 . . . . . 776 ASN H . 52029 1
364 . 1 . 1 41 41 ASN HA H 1 4.696849963 0.1 . 1 . . . . . 776 ASN HA . 52029 1
365 . 1 . 1 41 41 ASN HB2 H 1 2.883641405 0.1 . 1 . . . . . 776 ASN HB2 . 52029 1
366 . 1 . 1 41 41 ASN CA C 13 54.02557121 0.1 . 1 . . . . . 776 ASN CA . 52029 1
367 . 1 . 1 41 41 ASN CB C 13 38.0388316 0.2 . 1 . . . . . 776 ASN CB . 52029 1
368 . 1 . 1 41 41 ASN N N 15 115.024925 0.05 . 1 . . . . . 776 ASN N . 52029 1
369 . 1 . 1 42 42 TYR H H 1 8.849459408 0.025 . 1 . . . . . 777 TYR H . 52029 1
370 . 1 . 1 42 42 TYR HA H 1 3.995680367 0.1 . 1 . . . . . 777 TYR HA . 52029 1
371 . 1 . 1 42 42 TYR HB2 H 1 1.920954181 0.1 . 1 . . . . . 777 TYR HB2 . 52029 1
372 . 1 . 1 42 42 TYR HB3 H 1 2.725378394 0.1 . 1 . . . . . 777 TYR HB3 . 52029 1
373 . 1 . 1 42 42 TYR HD1 H 1 6.4257415 0.1 . 3 . . . . . 777 TYR HD# . 52029 1
374 . 1 . 1 42 42 TYR HD2 H 1 6.4257415 0.1 . 3 . . . . . 777 TYR HD# . 52029 1
375 . 1 . 1 42 42 TYR HE1 H 1 6.566754938 0.1 . 3 . . . . . 777 TYR HE# . 52029 1
376 . 1 . 1 42 42 TYR HE2 H 1 6.566754938 0.1 . 3 . . . . . 777 TYR HE# . 52029 1
377 . 1 . 1 42 42 TYR CA C 13 60.66978108 0.1 . 1 . . . . . 777 TYR CA . 52029 1
378 . 1 . 1 42 42 TYR CB C 13 40.06930211 0.2 . 1 . . . . . 777 TYR CB . 52029 1
379 . 1 . 1 42 42 TYR CD1 C 13 132.1836242 0.2 . 3 . . . . . 777 TYR CD# . 52029 1
380 . 1 . 1 42 42 TYR CD2 C 13 132.1836242 0.2 . 3 . . . . . 777 TYR CD# . 52029 1
381 . 1 . 1 42 42 TYR CE1 C 13 117.4786772 0.2 . 3 . . . . . 777 TYR CE# . 52029 1
382 . 1 . 1 42 42 TYR CE2 C 13 117.4786772 0.2 . 3 . . . . . 777 TYR CE# . 52029 1
383 . 1 . 1 42 42 TYR N N 15 125.8928517 0.05 . 1 . . . . . 777 TYR N . 52029 1
384 . 1 . 1 43 43 ALA H H 1 7.068298612 0.025 . 1 . . . . . 778 ALA H . 52029 1
385 . 1 . 1 43 43 ALA HA H 1 5.020958916 0.1 . 1 . . . . . 778 ALA HA . 52029 1
386 . 1 . 1 43 43 ALA HB1 H 1 1.127764259 0.1 . 1 . . . . . 778 ALA HB# . 52029 1
387 . 1 . 1 43 43 ALA HB2 H 1 1.127764259 0.1 . 1 . . . . . 778 ALA HB# . 52029 1
388 . 1 . 1 43 43 ALA HB3 H 1 1.127764259 0.1 . 1 . . . . . 778 ALA HB# . 52029 1
389 . 1 . 1 43 43 ALA CA C 13 50.22441789 0.1 . 1 . . . . . 778 ALA CA . 52029 1
390 . 1 . 1 43 43 ALA CB C 13 22.49454739 0.2 . 1 . . . . . 778 ALA CB . 52029 1
391 . 1 . 1 43 43 ALA N N 15 128.4806627 0.05 . 1 . . . . . 778 ALA N . 52029 1
392 . 1 . 1 44 44 CYS H H 1 9.000000315 0.025 . 1 . . . . . 779 CYS H . 52029 1
393 . 1 . 1 44 44 CYS N N 15 114.507268 0.05 . 1 . . . . . 779 CYS N . 52029 1
394 . 1 . 1 45 45 ALA H H 1 8.773182622 0.025 . 1 . . . . . 780 ALA H . 52029 1
395 . 1 . 1 45 45 ALA HA H 1 4.697375788 0.1 . 1 . . . . . 780 ALA HA . 52029 1
396 . 1 . 1 45 45 ALA HB1 H 1 1.541515158 0.1 . 1 . . . . . 780 ALA HB# . 52029 1
397 . 1 . 1 45 45 ALA HB2 H 1 1.541515158 0.1 . 1 . . . . . 780 ALA HB# . 52029 1
398 . 1 . 1 45 45 ALA HB3 H 1 1.541515158 0.1 . 1 . . . . . 780 ALA HB# . 52029 1
399 . 1 . 1 45 45 ALA CA C 13 53.09337665 0.1 . 1 . . . . . 780 ALA CA . 52029 1
400 . 1 . 1 45 45 ALA CB C 13 20.63161094 0.2 . 1 . . . . . 780 ALA CB . 52029 1
401 . 1 . 1 45 45 ALA N N 15 120.4256732 0.05 . 1 . . . . . 780 ALA N . 52029 1
402 . 1 . 1 46 46 GLN H H 1 7.194992824 0.025 . 1 . . . . . 781 GLN H . 52029 1
403 . 1 . 1 46 46 GLN CB C 13 33.90363379 0.2 . 1 . . . . . 781 GLN CB . 52029 1
404 . 1 . 1 46 46 GLN N N 15 114.8128206 0.05 . 1 . . . . . 781 GLN N . 52029 1
405 . 1 . 1 47 47 SER H H 1 8.733815025 0.025 . 1 . . . . . 782 SER H . 52029 1
406 . 1 . 1 47 47 SER N N 15 122.4353655 0.05 . 1 . . . . . 782 SER N . 52029 1
407 . 1 . 1 48 48 SER H H 1 8.557364364 0.025 . 1 . . . . . 783 SER H . 52029 1
408 . 1 . 1 48 48 SER HA H 1 4.093807885 0.1 . 1 . . . . . 783 SER HA . 52029 1
409 . 1 . 1 48 48 SER HB2 H 1 3.83774977 0.1 . 1 . . . . . 783 SER HB2 . 52029 1
410 . 1 . 1 48 48 SER CA C 13 60.86884464 0.1 . 1 . . . . . 783 SER CA . 52029 1
411 . 1 . 1 48 48 SER CB C 13 61.95255588 0.2 . 1 . . . . . 783 SER CB . 52029 1
412 . 1 . 1 48 48 SER N N 15 115.9771984 0.05 . 1 . . . . . 783 SER N . 52029 1
413 . 1 . 1 49 49 LYS H H 1 6.930136104 0.025 . 1 . . . . . 784 LYS H . 52029 1
414 . 1 . 1 49 49 LYS HA H 1 4.095283219 0.1 . 1 . . . . . 784 LYS HA . 52029 1
415 . 1 . 1 49 49 LYS HB2 H 1 2.089358561 0.1 . 1 . . . . . 784 LYS HB2 . 52029 1
416 . 1 . 1 49 49 LYS HB3 H 1 2.144759229 0.1 . 1 . . . . . 784 LYS HB3 . 52029 1
417 . 1 . 1 49 49 LYS HG2 H 1 1.508637422 0.1 . 1 . . . . . 784 LYS HG2 . 52029 1
418 . 1 . 1 49 49 LYS HG3 H 1 1.57818972 0.1 . 1 . . . . . 784 LYS HG3 . 52029 1
419 . 1 . 1 49 49 LYS HD2 H 1 1.746232122 0.1 . 1 . . . . . 784 LYS HD2 . 52029 1
420 . 1 . 1 49 49 LYS HE2 H 1 2.996476963 0.1 . 1 . . . . . 784 LYS HE2 . 52029 1
421 . 1 . 1 49 49 LYS CA C 13 58.79594871 0.1 . 1 . . . . . 784 LYS CA . 52029 1
422 . 1 . 1 49 49 LYS CB C 13 32.42406499 0.2 . 1 . . . . . 784 LYS CB . 52029 1
423 . 1 . 1 49 49 LYS CG C 13 26.1170306 0.2 . 1 . . . . . 784 LYS CG . 52029 1
424 . 1 . 1 49 49 LYS CD C 13 29.4778672 0.2 . 1 . . . . . 784 LYS CD . 52029 1
425 . 1 . 1 49 49 LYS CE C 13 42.19586321 0.2 . 1 . . . . . 784 LYS CE . 52029 1
426 . 1 . 1 49 49 LYS N N 15 122.1472184 0.05 . 1 . . . . . 784 LYS N . 52029 1
427 . 1 . 1 50 50 LEU H H 1 7.402684225 0.025 . 1 . . . . . 785 LEU H . 52029 1
428 . 1 . 1 50 50 LEU HA H 1 4.27807507 0.1 . 1 . . . . . 785 LEU HA . 52029 1
429 . 1 . 1 50 50 LEU HB2 H 1 1.244508297 0.1 . 1 . . . . . 785 LEU HB2 . 52029 1
430 . 1 . 1 50 50 LEU HB3 H 1 2.067528546 0.1 . 1 . . . . . 785 LEU HB3 . 52029 1
431 . 1 . 1 50 50 LEU HG H 1 1.697553034 0.1 . 1 . . . . . 785 LEU HG . 52029 1
432 . 1 . 1 50 50 LEU HD11 H 1 0.9545772501 0.1 . 2 . . . . . 785 LEU HD1# . 52029 1
433 . 1 . 1 50 50 LEU HD12 H 1 0.9545772501 0.1 . 2 . . . . . 785 LEU HD1# . 52029 1
434 . 1 . 1 50 50 LEU HD13 H 1 0.9545772501 0.1 . 2 . . . . . 785 LEU HD1# . 52029 1
435 . 1 . 1 50 50 LEU HD21 H 1 0.9681334334 0.1 . 2 . . . . . 785 LEU HD2# . 52029 1
436 . 1 . 1 50 50 LEU HD22 H 1 0.9681334334 0.1 . 2 . . . . . 785 LEU HD2# . 52029 1
437 . 1 . 1 50 50 LEU HD23 H 1 0.9681334334 0.1 . 2 . . . . . 785 LEU HD2# . 52029 1
438 . 1 . 1 50 50 LEU CA C 13 57.77000469 0.1 . 1 . . . . . 785 LEU CA . 52029 1
439 . 1 . 1 50 50 LEU CB C 13 40.45453045 0.2 . 1 . . . . . 785 LEU CB . 52029 1
440 . 1 . 1 50 50 LEU CG C 13 27.1914958 0.2 . 1 . . . . . 785 LEU CG . 52029 1
441 . 1 . 1 50 50 LEU CD1 C 13 22.66940345 0.2 . 1 . . . . . 785 LEU CD1 . 52029 1
442 . 1 . 1 50 50 LEU CD2 C 13 25.78116158 0.2 . 1 . . . . . 785 LEU CD2 . 52029 1
443 . 1 . 1 50 50 LEU N N 15 124.8988359 0.05 . 1 . . . . . 785 LEU N . 52029 1
444 . 1 . 1 51 51 THR H H 1 8.224323361 0.025 . 1 . . . . . 786 THR H . 52029 1
445 . 1 . 1 51 51 THR HA H 1 3.777590051 0.1 . 1 . . . . . 786 THR HA . 52029 1
446 . 1 . 1 51 51 THR HB H 1 4.106474964 0.1 . 1 . . . . . 786 THR HB . 52029 1
447 . 1 . 1 51 51 THR HG21 H 1 1.145855475 0.1 . 1 . . . . . 786 THR HG2 . 52029 1
448 . 1 . 1 51 51 THR HG22 H 1 1.145855475 0.1 . 1 . . . . . 786 THR HG2 . 52029 1
449 . 1 . 1 51 51 THR HG23 H 1 1.145855475 0.1 . 1 . . . . . 786 THR HG2 . 52029 1
450 . 1 . 1 51 51 THR CA C 13 66.89939577 0.1 . 1 . . . . . 786 THR CA . 52029 1
451 . 1 . 1 51 51 THR CB C 13 68.43763947 0.2 . 1 . . . . . 786 THR CB . 52029 1
452 . 1 . 1 51 51 THR CG2 C 13 22.10801753 0.2 . 1 . . . . . 786 THR CG2 . 52029 1
453 . 1 . 1 51 51 THR N N 15 116.7028742 0.05 . 1 . . . . . 786 THR N . 52029 1
454 . 1 . 1 52 52 ARG H H 1 7.416597323 0.025 . 1 . . . . . 787 ARG H . 52029 1
455 . 1 . 1 52 52 ARG HA H 1 3.94607107 0.1 . 1 . . . . . 787 ARG HA . 52029 1
456 . 1 . 1 52 52 ARG HB2 H 1 1.859270211 0.1 . 1 . . . . . 787 ARG HB2 . 52029 1
457 . 1 . 1 52 52 ARG HG2 H 1 1.556942944 0.1 . 1 . . . . . 787 ARG HG2 . 52029 1
458 . 1 . 1 52 52 ARG HG3 H 1 1.699050298 0.1 . 1 . . . . . 787 ARG HG3 . 52029 1
459 . 1 . 1 52 52 ARG HD2 H 1 3.130335104 0.1 . 1 . . . . . 787 ARG HD2 . 52029 1
460 . 1 . 1 52 52 ARG CA C 13 59.56149917 0.1 . 1 . . . . . 787 ARG CA . 52029 1
461 . 1 . 1 52 52 ARG CB C 13 30.0238602 0.2 . 1 . . . . . 787 ARG CB . 52029 1
462 . 1 . 1 52 52 ARG CG C 13 27.46168259 0.2 . 1 . . . . . 787 ARG CG . 52029 1
463 . 1 . 1 52 52 ARG CD C 13 43.41383701 0.2 . 1 . . . . . 787 ARG CD . 52029 1
464 . 1 . 1 52 52 ARG N N 15 120.2616492 0.05 . 1 . . . . . 787 ARG N . 52029 1
465 . 1 . 1 53 53 HIS H H 1 8.061224452 0.025 . 1 . . . . . 788 HIS H . 52029 1
466 . 1 . 1 53 53 HIS HA H 1 4.002415188 0.1 . 1 . . . . . 788 HIS HA . 52029 1
467 . 1 . 1 53 53 HIS HB2 H 1 2.694038486 0.1 . 1 . . . . . 788 HIS HB2 . 52029 1
468 . 1 . 1 53 53 HIS HB3 H 1 3.376233469 0.1 . 1 . . . . . 788 HIS HB3 . 52029 1
469 . 1 . 1 53 53 HIS HD2 H 1 7.063816715 0.1 . 1 . . . . . 788 HIS HD2 . 52029 1
470 . 1 . 1 53 53 HIS CA C 13 59.45384787 0.1 . 1 . . . . . 788 HIS CA . 52029 1
471 . 1 . 1 53 53 HIS CB C 13 27.91243599 0.2 . 1 . . . . . 788 HIS CB . 52029 1
472 . 1 . 1 53 53 HIS CD2 C 13 127.3972215 0.2 . 1 . . . . . 788 HIS CD2 . 52029 1
473 . 1 . 1 53 53 HIS N N 15 119.8773267 0.05 . 1 . . . . . 788 HIS N . 52029 1
474 . 1 . 1 54 54 MET H H 1 8.640699145 0.025 . 1 . . . . . 789 MET H . 52029 1
475 . 1 . 1 54 54 MET HA H 1 4.159527498 0.1 . 1 . . . . . 789 MET HA . 52029 1
476 . 1 . 1 54 54 MET HB2 H 1 2.877395081 0.1 . 1 . . . . . 789 MET HB2 . 52029 1
477 . 1 . 1 54 54 MET HB3 H 1 2.936181226 0.1 . 1 . . . . . 789 MET HB3 . 52029 1
478 . 1 . 1 54 54 MET HG2 H 1 2.138951951 0.1 . 1 . . . . . 789 MET HG2 . 52029 1
479 . 1 . 1 54 54 MET HG3 H 1 2.241810042 0.1 . 1 . . . . . 789 MET HG3 . 52029 1
480 . 1 . 1 54 54 MET CA C 13 57.37826386 0.1 . 1 . . . . . 789 MET CA . 52029 1
481 . 1 . 1 54 54 MET CB C 13 31.24856873 0.2 . 1 . . . . . 789 MET CB . 52029 1
482 . 1 . 1 54 54 MET CG C 13 29.54951529 0.2 . 1 . . . . . 789 MET CG . 52029 1
483 . 1 . 1 54 54 MET N N 15 118.6986435 0.05 . 1 . . . . . 789 MET N . 52029 1
484 . 1 . 1 55 55 LYS H H 1 7.329650656 0.025 . 1 . . . . . 790 LYS H . 52029 1
485 . 1 . 1 55 55 LYS HA H 1 4.071618287 0.1 . 1 . . . . . 790 LYS HA . 52029 1
486 . 1 . 1 55 55 LYS HB2 H 1 1.835424593 0.1 . 1 . . . . . 790 LYS HB2 . 52029 1
487 . 1 . 1 55 55 LYS HG2 H 1 1.440468689 0.1 . 1 . . . . . 790 LYS HG2 . 52029 1
488 . 1 . 1 55 55 LYS HG3 H 1 1.597243874 0.1 . 1 . . . . . 790 LYS HG3 . 52029 1
489 . 1 . 1 55 55 LYS HD2 H 1 1.610629091 0.1 . 1 . . . . . 790 LYS HD2 . 52029 1
490 . 1 . 1 55 55 LYS HE2 H 1 2.88097795 0.1 . 1 . . . . . 790 LYS HE2 . 52029 1
491 . 1 . 1 55 55 LYS CA C 13 58.6839035 0.1 . 1 . . . . . 790 LYS CA . 52029 1
492 . 1 . 1 55 55 LYS CB C 13 31.99585823 0.2 . 1 . . . . . 790 LYS CB . 52029 1
493 . 1 . 1 55 55 LYS CG C 13 25.16789483 0.2 . 1 . . . . . 790 LYS CG . 52029 1
494 . 1 . 1 55 55 LYS CD C 13 28.98325591 0.2 . 1 . . . . . 790 LYS CD . 52029 1
495 . 1 . 1 55 55 LYS CE C 13 42.09182947 0.2 . 1 . . . . . 790 LYS CE . 52029 1
496 . 1 . 1 55 55 LYS N N 15 118.5095892 0.05 . 1 . . . . . 790 LYS N . 52029 1
497 . 1 . 1 56 56 THR H H 1 7.739708678 0.025 . 1 . . . . . 791 THR H . 52029 1
498 . 1 . 1 56 56 THR HA H 1 4.018217236 0.1 . 1 . . . . . 791 THR HA . 52029 1
499 . 1 . 1 56 56 THR HB H 1 3.881079106 0.1 . 1 . . . . . 791 THR HB . 52029 1
500 . 1 . 1 56 56 THR HG21 H 1 0.9961470791 0.1 . 1 . . . . . 791 THR HG2 . 52029 1
501 . 1 . 1 56 56 THR HG22 H 1 0.9961470791 0.1 . 1 . . . . . 791 THR HG2 . 52029 1
502 . 1 . 1 56 56 THR HG23 H 1 0.9961470791 0.1 . 1 . . . . . 791 THR HG2 . 52029 1
503 . 1 . 1 56 56 THR CA C 13 63.74915544 0.1 . 1 . . . . . 791 THR CA . 52029 1
504 . 1 . 1 56 56 THR CB C 13 69.07524669 0.2 . 1 . . . . . 791 THR CB . 52029 1
505 . 1 . 1 56 56 THR CG2 C 13 20.79996843 0.2 . 1 . . . . . 791 THR CG2 . 52029 1
506 . 1 . 1 56 56 THR N N 15 110.0682808 0.05 . 1 . . . . . 791 THR N . 52029 1
507 . 1 . 1 57 57 HIS H H 1 7.124186305 0.025 . 1 . . . . . 792 HIS H . 52029 1
508 . 1 . 1 57 57 HIS HA H 1 4.63776318 0.1 . 1 . . . . . 792 HIS HA . 52029 1
509 . 1 . 1 57 57 HIS HB2 H 1 2.973723687 0.1 . 1 . . . . . 792 HIS HB2 . 52029 1
510 . 1 . 1 57 57 HIS HB3 H 1 3.128956903 0.1 . 1 . . . . . 792 HIS HB3 . 52029 1
511 . 1 . 1 57 57 HIS HD2 H 1 6.602576724 0.1 . 1 . . . . . 792 HIS HD2 . 52029 1
512 . 1 . 1 57 57 HIS CA C 13 55.71046817 0.1 . 1 . . . . . 792 HIS CA . 52029 1
513 . 1 . 1 57 57 HIS CB C 13 29.12101855 0.2 . 1 . . . . . 792 HIS CB . 52029 1
514 . 1 . 1 57 57 HIS CD2 C 13 127.3045448 0.2 . 1 . . . . . 792 HIS CD2 . 52029 1
515 . 1 . 1 57 57 HIS N N 15 118.6835234 0.05 . 1 . . . . . 792 HIS N . 52029 1
516 . 1 . 1 58 58 GLY H H 1 7.804047585 0.025 . 1 . . . . . 793 GLY H . 52029 1
517 . 1 . 1 58 58 GLY HA2 H 1 3.910963141 0.1 . 1 . . . . . 793 GLY HA2 . 52029 1
518 . 1 . 1 58 58 GLY CA C 13 45.50953495 0.1 . 1 . . . . . 793 GLY CA . 52029 1
519 . 1 . 1 58 58 GLY N N 15 107.6982939 0.05 . 1 . . . . . 793 GLY N . 52029 1
520 . 1 . 1 59 59 GLN H H 1 8.156786344 0.025 . 1 . . . . . 794 GLN H . 52029 1
521 . 1 . 1 59 59 GLN HA H 1 4.314585959 0.1 . 1 . . . . . 794 GLN HA . 52029 1
522 . 1 . 1 59 59 GLN HB2 H 1 1.852529312 0.1 . 1 . . . . . 794 GLN HB2 . 52029 1
523 . 1 . 1 59 59 GLN HB3 H 1 1.987605806 0.1 . 1 . . . . . 794 GLN HB3 . 52029 1
524 . 1 . 1 59 59 GLN HG2 H 1 2.225360874 0.1 . 1 . . . . . 794 GLN HG2 . 52029 1
525 . 1 . 1 59 59 GLN CA C 13 55.67847622 0.1 . 1 . . . . . 794 GLN CA . 52029 1
526 . 1 . 1 59 59 GLN CB C 13 29.41872672 0.2 . 1 . . . . . 794 GLN CB . 52029 1
527 . 1 . 1 59 59 GLN CG C 13 33.77755668 0.2 . 1 . . . . . 794 GLN CG . 52029 1
528 . 1 . 1 59 59 GLN N N 15 120.095017 0.05 . 1 . . . . . 794 GLN N . 52029 1
529 . 1 . 1 60 60 VAL H H 1 8.193960637 0.025 . 1 . . . . . 795 VAL H . 52029 1
530 . 1 . 1 60 60 VAL HA H 1 4.065761622 0.1 . 1 . . . . . 795 VAL HA . 52029 1
531 . 1 . 1 60 60 VAL HB H 1 2.020576846 0.1 . 1 . . . . . 795 VAL HB . 52029 1
532 . 1 . 1 60 60 VAL HG11 H 1 0.8601754394 0.1 . 2 . . . . . 795 VAL HG1# . 52029 1
533 . 1 . 1 60 60 VAL HG12 H 1 0.8601754394 0.1 . 2 . . . . . 795 VAL HG1# . 52029 1
534 . 1 . 1 60 60 VAL HG13 H 1 0.8601754394 0.1 . 2 . . . . . 795 VAL HG1# . 52029 1
535 . 1 . 1 60 60 VAL HG21 H 1 0.8675063862 0.1 . 2 . . . . . 795 VAL HG2# . 52029 1
536 . 1 . 1 60 60 VAL HG22 H 1 0.8675063862 0.1 . 2 . . . . . 795 VAL HG2# . 52029 1
537 . 1 . 1 60 60 VAL HG23 H 1 0.8675063862 0.1 . 2 . . . . . 795 VAL HG2# . 52029 1
538 . 1 . 1 60 60 VAL CA C 13 62.45723247 0.1 . 1 . . . . . 795 VAL CA . 52029 1
539 . 1 . 1 60 60 VAL CB C 13 32.68227788 0.2 . 1 . . . . . 795 VAL CB . 52029 1
540 . 1 . 1 60 60 VAL CG1 C 13 20.51260393 0.2 . 1 . . . . . 795 VAL CG1 . 52029 1
541 . 1 . 1 60 60 VAL CG2 C 13 21.17261643 0.2 . 1 . . . . . 795 VAL CG2 . 52029 1
542 . 1 . 1 60 60 VAL N N 15 121.8139286 0.05 . 1 . . . . . 795 VAL N . 52029 1
543 . 1 . 1 61 61 GLY H H 1 8.454442642 0.025 . 1 . . . . . 796 GLY H . 52029 1
544 . 1 . 1 61 61 GLY HA2 H 1 3.893603762 0.1 . 1 . . . . . 796 GLY HA2 . 52029 1
545 . 1 . 1 61 61 GLY CA C 13 45.19202148 0.1 . 1 . . . . . 796 GLY CA . 52029 1
546 . 1 . 1 61 61 GLY N N 15 112.4868508 0.05 . 1 . . . . . 796 GLY N . 52029 1
547 . 1 . 1 62 62 LYS H H 1 8.077204872 0.025 . 1 . . . . . 797 LYS H . 52029 1
548 . 1 . 1 62 62 LYS HA H 1 4.256684012 0.1 . 1 . . . . . 797 LYS HA . 52029 1
549 . 1 . 1 62 62 LYS HB2 H 1 1.713103022 0.1 . 1 . . . . . 797 LYS HB2 . 52029 1
550 . 1 . 1 62 62 LYS HG2 H 1 1.271331236 0.1 . 1 . . . . . 797 LYS HG2 . 52029 1
551 . 1 . 1 62 62 LYS HG3 H 1 1.304348609 0.1 . 1 . . . . . 797 LYS HG3 . 52029 1
552 . 1 . 1 62 62 LYS HD2 H 1 1.579640063 0.1 . 1 . . . . . 797 LYS HD2 . 52029 1
553 . 1 . 1 62 62 LYS HE2 H 1 2.910161624 0.1 . 1 . . . . . 797 LYS HE2 . 52029 1
554 . 1 . 1 62 62 LYS CA C 13 56.0887076 0.1 . 1 . . . . . 797 LYS CA . 52029 1
555 . 1 . 1 62 62 LYS CB C 13 33.1514247 0.2 . 1 . . . . . 797 LYS CB . 52029 1
556 . 1 . 1 62 62 LYS CG C 13 24.51719577 0.2 . 1 . . . . . 797 LYS CG . 52029 1
557 . 1 . 1 62 62 LYS CD C 13 28.96534591 0.2 . 1 . . . . . 797 LYS CD . 52029 1
558 . 1 . 1 62 62 LYS CE C 13 42.12814198 0.2 . 1 . . . . . 797 LYS CE . 52029 1
559 . 1 . 1 62 62 LYS N N 15 120.2758598 0.05 . 1 . . . . . 797 LYS N . 52029 1
560 . 1 . 1 63 63 ASP H H 1 8.316884871 0.025 . 1 . . . . . 798 ASP H . 52029 1
561 . 1 . 1 63 63 ASP HA H 1 4.444202837 0.1 . 1 . . . . . 798 ASP HA . 52029 1
562 . 1 . 1 63 63 ASP HB2 H 1 2.4593332 0.1 . 1 . . . . . 798 ASP HB2 . 52029 1
563 . 1 . 1 63 63 ASP CA C 13 54.33156645 0.1 . 1 . . . . . 798 ASP CA . 52029 1
564 . 1 . 1 63 63 ASP CB C 13 40.94129659 0.2 . 1 . . . . . 798 ASP CB . 52029 1
565 . 1 . 1 63 63 ASP N N 15 121.0431887 0.05 . 1 . . . . . 798 ASP N . 52029 1
566 . 1 . 1 64 64 VAL H H 1 7.624939607 0.025 . 1 . . . . . 799 VAL H . 52029 1
567 . 1 . 1 64 64 VAL HA H 1 3.976920405 0.1 . 1 . . . . . 799 VAL HA . 52029 1
568 . 1 . 1 64 64 VAL HB H 1 1.777468661 0.1 . 1 . . . . . 799 VAL HB . 52029 1
569 . 1 . 1 64 64 VAL HG11 H 1 0.6012280532 0.1 . 2 . . . . . 799 VAL HG1# . 52029 1
570 . 1 . 1 64 64 VAL HG12 H 1 0.6012280532 0.1 . 2 . . . . . 799 VAL HG1# . 52029 1
571 . 1 . 1 64 64 VAL HG13 H 1 0.6012280532 0.1 . 2 . . . . . 799 VAL HG1# . 52029 1
572 . 1 . 1 64 64 VAL HG21 H 1 0.6597389392 0.1 . 2 . . . . . 799 VAL HG2# . 52029 1
573 . 1 . 1 64 64 VAL HG22 H 1 0.6597389392 0.1 . 2 . . . . . 799 VAL HG2# . 52029 1
574 . 1 . 1 64 64 VAL HG23 H 1 0.6597389392 0.1 . 2 . . . . . 799 VAL HG2# . 52029 1
575 . 1 . 1 64 64 VAL CA C 13 62.09175964 0.1 . 1 . . . . . 799 VAL CA . 52029 1
576 . 1 . 1 64 64 VAL CB C 13 33.54173867 0.2 . 1 . . . . . 799 VAL CB . 52029 1
577 . 1 . 1 64 64 VAL CG1 C 13 21.12245368 0.2 . 1 . . . . . 799 VAL CG1 . 52029 1
578 . 1 . 1 64 64 VAL CG2 C 13 20.3137413 0.2 . 1 . . . . . 799 VAL CG2 . 52029 1
579 . 1 . 1 64 64 VAL N N 15 117.7574835 0.05 . 1 . . . . . 799 VAL N . 52029 1
580 . 1 . 1 65 65 TYR H H 1 8.486786413 0.025 . 1 . . . . . 800 TYR H . 52029 1
581 . 1 . 1 65 65 TYR HA H 1 4.749016914 0.1 . 1 . . . . . 800 TYR HA . 52029 1
582 . 1 . 1 65 65 TYR HB2 H 1 2.688339737 0.1 . 1 . . . . . 800 TYR HB2 . 52029 1
583 . 1 . 1 65 65 TYR HB3 H 1 3.070250878 0.1 . 1 . . . . . 800 TYR HB3 . 52029 1
584 . 1 . 1 65 65 TYR HD1 H 1 6.969438128 0.1 . 3 . . . . . 800 TYR HD# . 52029 1
585 . 1 . 1 65 65 TYR HD2 H 1 6.969438128 0.1 . 3 . . . . . 800 TYR HD# . 52029 1
586 . 1 . 1 65 65 TYR HE1 H 1 6.791180695 0.1 . 3 . . . . . 800 TYR HE# . 52029 1
587 . 1 . 1 65 65 TYR HE2 H 1 6.791180695 0.1 . 3 . . . . . 800 TYR HE# . 52029 1
588 . 1 . 1 65 65 TYR CA C 13 56.53957368 0.1 . 1 . . . . . 800 TYR CA . 52029 1
589 . 1 . 1 65 65 TYR CB C 13 40.28381658 0.2 . 1 . . . . . 800 TYR CB . 52029 1
590 . 1 . 1 65 65 TYR CD1 C 13 133.0078249 0.2 . 3 . . . . . 800 TYR CD# . 52029 1
591 . 1 . 1 65 65 TYR CD2 C 13 133.0078249 0.2 . 3 . . . . . 800 TYR CD# . 52029 1
592 . 1 . 1 65 65 TYR CE1 C 13 118.346631 0.2 . 3 . . . . . 800 TYR CE# . 52029 1
593 . 1 . 1 65 65 TYR CE2 C 13 118.346631 0.2 . 3 . . . . . 800 TYR CE# . 52029 1
594 . 1 . 1 65 65 TYR N N 15 122.6285928 0.05 . 1 . . . . . 800 TYR N . 52029 1
595 . 1 . 1 66 66 LYS H H 1 8.631317022 0.025 . 1 . . . . . 801 LYS H . 52029 1
596 . 1 . 1 66 66 LYS HA H 1 5.026278476 0.1 . 1 . . . . . 801 LYS HA . 52029 1
597 . 1 . 1 66 66 LYS HB2 H 1 1.368920301 0.1 . 1 . . . . . 801 LYS HB2 . 52029 1
598 . 1 . 1 66 66 LYS HB3 H 1 1.453536506 0.1 . 1 . . . . . 801 LYS HB3 . 52029 1
599 . 1 . 1 66 66 LYS HG2 H 1 1.012169729 0.1 . 1 . . . . . 801 LYS HG2 . 52029 1
600 . 1 . 1 66 66 LYS HG3 H 1 1.083500641 0.1 . 1 . . . . . 801 LYS HG3 . 52029 1
601 . 1 . 1 66 66 LYS HD2 H 1 1.468746997 0.1 . 1 . . . . . 801 LYS HD2 . 52029 1
602 . 1 . 1 66 66 LYS HE2 H 1 2.769040389 0.1 . 1 . . . . . 801 LYS HE2 . 52029 1
603 . 1 . 1 66 66 LYS CA C 13 54.91123987 0.1 . 1 . . . . . 801 LYS CA . 52029 1
604 . 1 . 1 66 66 LYS CB C 13 35.28630238 0.2 . 1 . . . . . 801 LYS CB . 52029 1
605 . 1 . 1 66 66 LYS CG C 13 24.90413367 0.2 . 1 . . . . . 801 LYS CG . 52029 1
606 . 1 . 1 66 66 LYS CD C 13 29.42716037 0.2 . 1 . . . . . 801 LYS CD . 52029 1
607 . 1 . 1 66 66 LYS CE C 13 41.8742093 0.2 . 1 . . . . . 801 LYS CE . 52029 1
608 . 1 . 1 66 66 LYS N N 15 121.1548933 0.05 . 1 . . . . . 801 LYS N . 52029 1
609 . 1 . 1 67 67 CYS H H 1 8.696670281 0.025 . 1 . . . . . 802 CYS H . 52029 1
610 . 1 . 1 67 67 CYS HA H 1 4.386139111 0.1 . 1 . . . . . 802 CYS HA . 52029 1
611 . 1 . 1 67 67 CYS HB2 H 1 2.738431866 0.1 . 1 . . . . . 802 CYS HB2 . 52029 1
612 . 1 . 1 67 67 CYS HB3 H 1 3.06770251 0.1 . 1 . . . . . 802 CYS HB3 . 52029 1
613 . 1 . 1 67 67 CYS CA C 13 59.66181588 0.1 . 1 . . . . . 802 CYS CA . 52029 1
614 . 1 . 1 67 67 CYS CB C 13 29.64759475 0.2 . 1 . . . . . 802 CYS CB . 52029 1
615 . 1 . 1 67 67 CYS N N 15 125.4399282 0.05 . 1 . . . . . 802 CYS N . 52029 1
616 . 1 . 1 68 68 GLU H H 1 9.471929164 0.025 . 1 . . . . . 803 GLU H . 52029 1
617 . 1 . 1 68 68 GLU HA H 1 4.041396142 0.1 . 1 . . . . . 803 GLU HA . 52029 1
618 . 1 . 1 68 68 GLU HB2 H 1 2.007357443 0.1 . 1 . . . . . 803 GLU HB2 . 52029 1
619 . 1 . 1 68 68 GLU HB3 H 1 2.050514332 0.1 . 1 . . . . . 803 GLU HB3 . 52029 1
620 . 1 . 1 68 68 GLU HG2 H 1 2.313110193 0.1 . 1 . . . . . 803 GLU HG2 . 52029 1
621 . 1 . 1 68 68 GLU CA C 13 58.59268472 0.1 . 1 . . . . . 803 GLU CA . 52029 1
622 . 1 . 1 68 68 GLU CB C 13 30.10579114 0.2 . 1 . . . . . 803 GLU CB . 52029 1
623 . 1 . 1 68 68 GLU CG C 13 36.16412842 0.2 . 1 . . . . . 803 GLU CG . 52029 1
624 . 1 . 1 68 68 GLU N N 15 131.2835374 0.05 . 1 . . . . . 803 GLU N . 52029 1
625 . 1 . 1 69 69 ILE H H 1 8.824262935 0.025 . 1 . . . . . 804 ILE H . 52029 1
626 . 1 . 1 69 69 ILE HA H 1 3.850113995 0.1 . 1 . . . . . 804 ILE HA . 52029 1
627 . 1 . 1 69 69 ILE HB H 1 0.8468674712 0.1 . 1 . . . . . 804 ILE HB . 52029 1
628 . 1 . 1 69 69 ILE HG12 H 1 0.9626778883 0.1 . 1 . . . . . 804 ILE HG12 . 52029 1
629 . 1 . 1 69 69 ILE HG13 H 1 1.161029926 0.1 . 1 . . . . . 804 ILE HG13 . 52029 1
630 . 1 . 1 69 69 ILE HG21 H 1 0.5602546229 0.1 . 1 . . . . . 804 ILE HG2# . 52029 1
631 . 1 . 1 69 69 ILE HG22 H 1 0.5602546229 0.1 . 1 . . . . . 804 ILE HG2# . 52029 1
632 . 1 . 1 69 69 ILE HG23 H 1 0.5602546229 0.1 . 1 . . . . . 804 ILE HG2# . 52029 1
633 . 1 . 1 69 69 ILE HD11 H 1 0.5091931111 0.1 . 1 . . . . . 804 ILE HD1# . 52029 1
634 . 1 . 1 69 69 ILE HD12 H 1 0.5091931111 0.1 . 1 . . . . . 804 ILE HD1# . 52029 1
635 . 1 . 1 69 69 ILE HD13 H 1 0.5091931111 0.1 . 1 . . . . . 804 ILE HD1# . 52029 1
636 . 1 . 1 69 69 ILE CA C 13 63.3182604 0.1 . 1 . . . . . 804 ILE CA . 52029 1
637 . 1 . 1 69 69 ILE CB C 13 38.22432533 0.2 . 1 . . . . . 804 ILE CB . 52029 1
638 . 1 . 1 69 69 ILE CG1 C 13 28.02764156 0.2 . 1 . . . . . 804 ILE CG1 . 52029 1
639 . 1 . 1 69 69 ILE CG2 C 13 17.6116698 0.2 . 1 . . . . . 804 ILE CG2 . 52029 1
640 . 1 . 1 69 69 ILE CD1 C 13 12.23669962 0.2 . 1 . . . . . 804 ILE CD1 . 52029 1
641 . 1 . 1 69 69 ILE N N 15 120.9814566 0.05 . 1 . . . . . 804 ILE N . 52029 1
642 . 1 . 1 70 70 CYS H H 1 8.699451507 0.025 . 1 . . . . . 805 CYS H . 52029 1
643 . 1 . 1 70 70 CYS HA H 1 4.935269358 0.1 . 1 . . . . . 805 CYS HA . 52029 1
644 . 1 . 1 70 70 CYS HB2 H 1 2.861726139 0.1 . 1 . . . . . 805 CYS HB2 . 52029 1
645 . 1 . 1 70 70 CYS HB3 H 1 3.266076981 0.1 . 1 . . . . . 805 CYS HB3 . 52029 1
646 . 1 . 1 70 70 CYS CA C 13 59.01823383 0.1 . 1 . . . . . 805 CYS CA . 52029 1
647 . 1 . 1 70 70 CYS CB C 13 31.51970378 0.2 . 1 . . . . . 805 CYS CB . 52029 1
648 . 1 . 1 70 70 CYS N N 15 118.9172713 0.05 . 1 . . . . . 805 CYS N . 52029 1
649 . 1 . 1 71 71 LYS H H 1 7.770507527 0.025 . 1 . . . . . 806 LYS H . 52029 1
650 . 1 . 1 71 71 LYS HA H 1 4.039545393 0.1 . 1 . . . . . 806 LYS HA . 52029 1
651 . 1 . 1 71 71 LYS HB2 H 1 1.849020196 0.1 . 1 . . . . . 806 LYS HB2 . 52029 1
652 . 1 . 1 71 71 LYS HB3 H 1 2.167406857 0.1 . 1 . . . . . 806 LYS HB3 . 52029 1
653 . 1 . 1 71 71 LYS HG2 H 1 1.114103967 0.1 . 1 . . . . . 806 LYS HG2 . 52029 1
654 . 1 . 1 71 71 LYS HG3 H 1 1.268512931 0.1 . 1 . . . . . 806 LYS HG3 . 52029 1
655 . 1 . 1 71 71 LYS HD2 H 1 1.447303488 0.1 . 1 . . . . . 806 LYS HD2 . 52029 1
656 . 1 . 1 71 71 LYS HD3 H 1 1.538938425 0.1 . 1 . . . . . 806 LYS HD3 . 52029 1
657 . 1 . 1 71 71 LYS HE2 H 1 2.83855265 0.1 . 1 . . . . . 806 LYS HE2 . 52029 1
658 . 1 . 1 71 71 LYS HE3 H 1 2.877134018 0.1 . 1 . . . . . 806 LYS HE3 . 52029 1
659 . 1 . 1 71 71 LYS CA C 13 57.64381568 0.1 . 1 . . . . . 806 LYS CA . 52029 1
660 . 1 . 1 71 71 LYS CB C 13 28.54562482 0.2 . 1 . . . . . 806 LYS CB . 52029 1
661 . 1 . 1 71 71 LYS CG C 13 25.05573202 0.2 . 1 . . . . . 806 LYS CG . 52029 1
662 . 1 . 1 71 71 LYS CD C 13 28.51827361 0.2 . 1 . . . . . 806 LYS CD . 52029 1
663 . 1 . 1 71 71 LYS CE C 13 42.52885231 0.2 . 1 . . . . . 806 LYS CE . 52029 1
664 . 1 . 1 71 71 LYS N N 15 116.3976169 0.05 . 1 . . . . . 806 LYS N . 52029 1
665 . 1 . 1 72 72 MET H H 1 7.654075968 0.025 . 1 . . . . . 807 MET H . 52029 1
666 . 1 . 1 72 72 MET N N 15 122.5217946 0.05 . 1 . . . . . 807 MET N . 52029 1
667 . 1 . 1 73 73 PRO HA H 1 4.92737988 0.1 . 1 . . . . . 808 PRO HA . 52029 1
668 . 1 . 1 73 73 PRO HB2 H 1 1.699666426 0.1 . 1 . . . . . 808 PRO HB2 . 52029 1
669 . 1 . 1 73 73 PRO HB3 H 1 1.779216453 0.1 . 1 . . . . . 808 PRO HB3 . 52029 1
670 . 1 . 1 73 73 PRO HG2 H 1 1.832468136 0.1 . 1 . . . . . 808 PRO HG2 . 52029 1
671 . 1 . 1 73 73 PRO HD2 H 1 3.419220625 0.1 . 1 . . . . . 808 PRO HD2 . 52029 1
672 . 1 . 1 73 73 PRO HD3 H 1 3.688904337 0.1 . 1 . . . . . 808 PRO HD3 . 52029 1
673 . 1 . 1 73 73 PRO CA C 13 61.52090082 0.1 . 1 . . . . . 808 PRO CA . 52029 1
674 . 1 . 1 73 73 PRO CB C 13 32.98178307 0.2 . 1 . . . . . 808 PRO CB . 52029 1
675 . 1 . 1 73 73 PRO CG C 13 26.50987756 0.2 . 1 . . . . . 808 PRO CG . 52029 1
676 . 1 . 1 73 73 PRO CD C 13 50.64619829 0.2 . 1 . . . . . 808 PRO CD . 52029 1
677 . 1 . 1 73 73 PRO N N 15 120 0.05 . 1 . . . . . 808 PRO N . 52029 1
678 . 1 . 1 74 74 PHE H H 1 8.521745568 0.025 . 1 . . . . . 809 PHE H . 52029 1
679 . 1 . 1 74 74 PHE HB2 H 1 2.513090127 0.1 . 1 . . . . . 809 PHE HB2 . 52029 1
680 . 1 . 1 74 74 PHE HB3 H 1 3.155928552 0.1 . 1 . . . . . 809 PHE HB3 . 52029 1
681 . 1 . 1 74 74 PHE HD1 H 1 7.042584629 0.1 . 3 . . . . . 809 PHE HD# . 52029 1
682 . 1 . 1 74 74 PHE HD2 H 1 7.042584629 0.1 . 3 . . . . . 809 PHE HD# . 52029 1
683 . 1 . 1 74 74 PHE HE1 H 1 6.67784881 0.1 . 3 . . . . . 809 PHE HE# . 52029 1
684 . 1 . 1 74 74 PHE HE2 H 1 6.67784881 0.1 . 3 . . . . . 809 PHE HE# . 52029 1
685 . 1 . 1 74 74 PHE CB C 13 43.79044287 0.2 . 1 . . . . . 809 PHE CB . 52029 1
686 . 1 . 1 74 74 PHE CD1 C 13 132.4401772 0.2 . 3 . . . . . 809 PHE CD# . 52029 1
687 . 1 . 1 74 74 PHE CD2 C 13 132.4401772 0.2 . 3 . . . . . 809 PHE CD# . 52029 1
688 . 1 . 1 74 74 PHE CE1 C 13 130.3135646 0.2 . 3 . . . . . 809 PHE CE# . 52029 1
689 . 1 . 1 74 74 PHE CE2 C 13 130.3135646 0.2 . 3 . . . . . 809 PHE CE# . 52029 1
690 . 1 . 1 74 74 PHE N N 15 116.0040911 0.05 . 1 . . . . . 809 PHE N . 52029 1
691 . 1 . 1 75 75 SER H H 1 9.049645236 0.025 . 1 . . . . . 810 SER H . 52029 1
692 . 1 . 1 75 75 SER HA H 1 4.771305221 0.1 . 1 . . . . . 810 SER HA . 52029 1
693 . 1 . 1 75 75 SER HB2 H 1 3.963451329 0.1 . 1 . . . . . 810 SER HB2 . 52029 1
694 . 1 . 1 75 75 SER HB3 H 1 4.000809279 0.1 . 1 . . . . . 810 SER HB3 . 52029 1
695 . 1 . 1 75 75 SER CA C 13 59.44960433 0.1 . 1 . . . . . 810 SER CA . 52029 1
696 . 1 . 1 75 75 SER CB C 13 64.47195594 0.2 . 1 . . . . . 810 SER CB . 52029 1
697 . 1 . 1 75 75 SER N N 15 115.7117477 0.05 . 1 . . . . . 810 SER N . 52029 1
698 . 1 . 1 76 76 VAL H H 1 7.416921921 0.025 . 1 . . . . . 811 VAL H . 52029 1
699 . 1 . 1 76 76 VAL HA H 1 4.487215712 0.1 . 1 . . . . . 811 VAL HA . 52029 1
700 . 1 . 1 76 76 VAL HB H 1 2.159090951 0.1 . 1 . . . . . 811 VAL HB . 52029 1
701 . 1 . 1 76 76 VAL HG11 H 1 0.9472195438 0.1 . 2 . . . . . 811 VAL HG1# . 52029 1
702 . 1 . 1 76 76 VAL HG12 H 1 0.9472195438 0.1 . 2 . . . . . 811 VAL HG1# . 52029 1
703 . 1 . 1 76 76 VAL HG13 H 1 0.9472195438 0.1 . 2 . . . . . 811 VAL HG1# . 52029 1
704 . 1 . 1 76 76 VAL HG21 H 1 1.030612054 0.1 . 2 . . . . . 811 VAL HG2# . 52029 1
705 . 1 . 1 76 76 VAL HG22 H 1 1.030612054 0.1 . 2 . . . . . 811 VAL HG2# . 52029 1
706 . 1 . 1 76 76 VAL HG23 H 1 1.030612054 0.1 . 2 . . . . . 811 VAL HG2# . 52029 1
707 . 1 . 1 76 76 VAL CA C 13 60.78119483 0.1 . 1 . . . . . 811 VAL CA . 52029 1
708 . 1 . 1 76 76 VAL CB C 13 35.07751625 0.2 . 1 . . . . . 811 VAL CB . 52029 1
709 . 1 . 1 76 76 VAL CG1 C 13 20.76563511 0.2 . 1 . . . . . 811 VAL CG1 . 52029 1
710 . 1 . 1 76 76 VAL CG2 C 13 22.09361609 0.2 . 1 . . . . . 811 VAL CG2 . 52029 1
711 . 1 . 1 76 76 VAL N N 15 118.1651769 0.05 . 1 . . . . . 811 VAL N . 52029 1
712 . 1 . 1 77 77 TYR H H 1 8.879613308 0.025 . 1 . . . . . 812 TYR H . 52029 1
713 . 1 . 1 77 77 TYR HA H 1 3.182488987 0.1 . 1 . . . . . 812 TYR HA . 52029 1
714 . 1 . 1 77 77 TYR HB2 H 1 2.368347829 0.1 . 1 . . . . . 812 TYR HB2 . 52029 1
715 . 1 . 1 77 77 TYR HB3 H 1 2.628842034 0.1 . 1 . . . . . 812 TYR HB3 . 52029 1
716 . 1 . 1 77 77 TYR HD1 H 1 6.541696265 0.1 . 3 . . . . . 812 TYR HD# . 52029 1
717 . 1 . 1 77 77 TYR HD2 H 1 6.541696265 0.1 . 3 . . . . . 812 TYR HD# . 52029 1
718 . 1 . 1 77 77 TYR HE1 H 1 6.63597371 0.1 . 3 . . . . . 812 TYR HE# . 52029 1
719 . 1 . 1 77 77 TYR HE2 H 1 6.63597371 0.1 . 3 . . . . . 812 TYR HE# . 52029 1
720 . 1 . 1 77 77 TYR CA C 13 62.46255292 0.1 . 1 . . . . . 812 TYR CA . 52029 1
721 . 1 . 1 77 77 TYR CB C 13 37.5294031 0.2 . 1 . . . . . 812 TYR CB . 52029 1
722 . 1 . 1 77 77 TYR CD1 C 13 132.7002896 0.2 . 3 . . . . . 812 TYR CD# . 52029 1
723 . 1 . 1 77 77 TYR CD2 C 13 132.7002896 0.2 . 3 . . . . . 812 TYR CD# . 52029 1
724 . 1 . 1 77 77 TYR CE1 C 13 117.9576211 0.2 . 3 . . . . . 812 TYR CE# . 52029 1
725 . 1 . 1 77 77 TYR CE2 C 13 117.9576211 0.2 . 3 . . . . . 812 TYR CE# . 52029 1
726 . 1 . 1 77 77 TYR N N 15 128.6044357 0.05 . 1 . . . . . 812 TYR N . 52029 1
727 . 1 . 1 78 78 SER H H 1 8.520503283 0.025 . 1 . . . . . 813 SER H . 52029 1
728 . 1 . 1 78 78 SER HA H 1 4.056683881 0.1 . 1 . . . . . 813 SER HA . 52029 1
729 . 1 . 1 78 78 SER HB2 H 1 3.838532193 0.1 . 1 . . . . . 813 SER HB2 . 52029 1
730 . 1 . 1 78 78 SER CA C 13 61.03155359 0.1 . 1 . . . . . 813 SER CA . 52029 1
731 . 1 . 1 78 78 SER CB C 13 62.18478383 0.2 . 1 . . . . . 813 SER CB . 52029 1
732 . 1 . 1 78 78 SER N N 15 112.7382794 0.05 . 1 . . . . . 813 SER N . 52029 1
733 . 1 . 1 79 79 THR H H 1 7.096566464 0.025 . 1 . . . . . 814 THR H . 52029 1
734 . 1 . 1 79 79 THR HA H 1 3.816495739 0.1 . 1 . . . . . 814 THR HA . 52029 1
735 . 1 . 1 79 79 THR HG21 H 1 1.337570036 0.1 . 1 . . . . . 814 THR HG2 . 52029 1
736 . 1 . 1 79 79 THR HG22 H 1 1.337570036 0.1 . 1 . . . . . 814 THR HG2 . 52029 1
737 . 1 . 1 79 79 THR HG23 H 1 1.337570036 0.1 . 1 . . . . . 814 THR HG2 . 52029 1
738 . 1 . 1 79 79 THR CA C 13 65.40163764 0.1 . 1 . . . . . 814 THR CA . 52029 1
739 . 1 . 1 79 79 THR CB C 13 67.96257679 0.2 . 1 . . . . . 814 THR CB . 52029 1
740 . 1 . 1 79 79 THR CG2 C 13 24.16963874 0.2 . 1 . . . . . 814 THR CG2 . 52029 1
741 . 1 . 1 79 79 THR N N 15 117.4361978 0.05 . 1 . . . . . 814 THR N . 52029 1
742 . 1 . 1 80 80 LEU H H 1 6.810319447 0.025 . 1 . . . . . 815 LEU H . 52029 1
743 . 1 . 1 80 80 LEU HA H 1 2.780777695 0.1 . 1 . . . . . 815 LEU HA . 52029 1
744 . 1 . 1 80 80 LEU HB2 H 1 0.8136856828 0.1 . 1 . . . . . 815 LEU HB2 . 52029 1
745 . 1 . 1 80 80 LEU HB3 H 1 1.613421066 0.1 . 1 . . . . . 815 LEU HB3 . 52029 1
746 . 1 . 1 80 80 LEU HG H 1 1.532501648 0.1 . 1 . . . . . 815 LEU HG . 52029 1
747 . 1 . 1 80 80 LEU HD11 H 1 0.77488664 0.1 . 2 . . . . . 815 LEU HD1# . 52029 1
748 . 1 . 1 80 80 LEU HD12 H 1 0.77488664 0.1 . 2 . . . . . 815 LEU HD1# . 52029 1
749 . 1 . 1 80 80 LEU HD13 H 1 0.77488664 0.1 . 2 . . . . . 815 LEU HD1# . 52029 1
750 . 1 . 1 80 80 LEU CA C 13 57.68589131 0.1 . 1 . . . . . 815 LEU CA . 52029 1
751 . 1 . 1 80 80 LEU CB C 13 39.43933347 0.2 . 1 . . . . . 815 LEU CB . 52029 1
752 . 1 . 1 80 80 LEU CG C 13 26.13375417 0.2 . 1 . . . . . 815 LEU CG . 52029 1
753 . 1 . 1 80 80 LEU CD1 C 13 23.20492203 0.2 . 1 . . . . . 815 LEU CD1 . 52029 1
754 . 1 . 1 80 80 LEU N N 15 126.0843159 0.05 . 1 . . . . . 815 LEU N . 52029 1
755 . 1 . 1 81 81 GLU H H 1 8.038626127 0.025 . 1 . . . . . 816 GLU H . 52029 1
756 . 1 . 1 81 81 GLU HA H 1 3.598879157 0.1 . 1 . . . . . 816 GLU HA . 52029 1
757 . 1 . 1 81 81 GLU HB2 H 1 1.782795277 0.1 . 1 . . . . . 816 GLU HB2 . 52029 1
758 . 1 . 1 81 81 GLU HB3 H 1 2.019967195 0.1 . 1 . . . . . 816 GLU HB3 . 52029 1
759 . 1 . 1 81 81 GLU HG2 H 1 1.796707289 0.1 . 1 . . . . . 816 GLU HG2 . 52029 1
760 . 1 . 1 81 81 GLU HG3 H 1 1.9672176 0.1 . 1 . . . . . 816 GLU HG3 . 52029 1
761 . 1 . 1 81 81 GLU CA C 13 60.26303638 0.1 . 1 . . . . . 816 GLU CA . 52029 1
762 . 1 . 1 81 81 GLU CB C 13 29.5825636 0.2 . 1 . . . . . 816 GLU CB . 52029 1
763 . 1 . 1 81 81 GLU CG C 13 37.0245572 0.2 . 1 . . . . . 816 GLU CG . 52029 1
764 . 1 . 1 81 81 GLU N N 15 119.9058598 0.05 . 1 . . . . . 816 GLU N . 52029 1
765 . 1 . 1 82 82 LYS H H 1 7.513949129 0.025 . 1 . . . . . 817 LYS H . 52029 1
766 . 1 . 1 82 82 LYS HA H 1 3.82666488 0.1 . 1 . . . . . 817 LYS HA . 52029 1
767 . 1 . 1 82 82 LYS HB2 H 1 1.79129924 0.1 . 1 . . . . . 817 LYS HB2 . 52029 1
768 . 1 . 1 82 82 LYS HG2 H 1 1.379740574 0.1 . 1 . . . . . 817 LYS HG2 . 52029 1
769 . 1 . 1 82 82 LYS HG3 H 1 1.565027667 0.1 . 1 . . . . . 817 LYS HG3 . 52029 1
770 . 1 . 1 82 82 LYS HD2 H 1 1.564119364 0.1 . 1 . . . . . 817 LYS HD2 . 52029 1
771 . 1 . 1 82 82 LYS HD3 H 1 1.649292275 0.1 . 1 . . . . . 817 LYS HD3 . 52029 1
772 . 1 . 1 82 82 LYS HE2 H 1 2.881247817 0.1 . 1 . . . . . 817 LYS HE2 . 52029 1
773 . 1 . 1 82 82 LYS CA C 13 59.64424521 0.1 . 1 . . . . . 817 LYS CA . 52029 1
774 . 1 . 1 82 82 LYS CB C 13 32.4898831 0.2 . 1 . . . . . 817 LYS CB . 52029 1
775 . 1 . 1 82 82 LYS CG C 13 25.4737459 0.2 . 1 . . . . . 817 LYS CG . 52029 1
776 . 1 . 1 82 82 LYS CD C 13 29.43220484 0.2 . 1 . . . . . 817 LYS CD . 52029 1
777 . 1 . 1 82 82 LYS CE C 13 42.16379607 0.2 . 1 . . . . . 817 LYS CE . 52029 1
778 . 1 . 1 82 82 LYS N N 15 118.27902 0.05 . 1 . . . . . 817 LYS N . 52029 1
779 . 1 . 1 83 83 HIS H H 1 7.747031659 0.025 . 1 . . . . . 818 HIS H . 52029 1
780 . 1 . 1 83 83 HIS HA H 1 4.397084118 0.1 . 1 . . . . . 818 HIS HA . 52029 1
781 . 1 . 1 83 83 HIS HB2 H 1 2.979750043 0.1 . 1 . . . . . 818 HIS HB2 . 52029 1
782 . 1 . 1 83 83 HIS HB3 H 1 3.381623959 0.1 . 1 . . . . . 818 HIS HB3 . 52029 1
783 . 1 . 1 83 83 HIS HD2 H 1 7.181372598 0.1 . 1 . . . . . 818 HIS HD2 . 52029 1
784 . 1 . 1 83 83 HIS CA C 13 59.93597055 0.1 . 1 . . . . . 818 HIS CA . 52029 1
785 . 1 . 1 83 83 HIS CB C 13 28.11090895 0.2 . 1 . . . . . 818 HIS CB . 52029 1
786 . 1 . 1 83 83 HIS CD2 C 13 127.5209163 0.2 . 1 . . . . . 818 HIS CD2 . 52029 1
787 . 1 . 1 83 83 HIS N N 15 120.6248362 0.05 . 1 . . . . . 818 HIS N . 52029 1
788 . 1 . 1 84 84 MET H H 1 8.634905958 0.025 . 1 . . . . . 819 MET H . 52029 1
789 . 1 . 1 84 84 MET HA H 1 4.078849283 0.1 . 1 . . . . . 819 MET HA . 52029 1
790 . 1 . 1 84 84 MET HB2 H 1 2.815062364 0.1 . 1 . . . . . 819 MET HB2 . 52029 1
791 . 1 . 1 84 84 MET HG2 H 1 2.122798793 0.1 . 1 . . . . . 819 MET HG2 . 52029 1
792 . 1 . 1 84 84 MET HG3 H 1 2.243415894 0.1 . 1 . . . . . 819 MET HG3 . 52029 1
793 . 1 . 1 84 84 MET CA C 13 57.94104582 0.1 . 1 . . . . . 819 MET CA . 52029 1
794 . 1 . 1 84 84 MET CB C 13 31.42591598 0.2 . 1 . . . . . 819 MET CB . 52029 1
795 . 1 . 1 84 84 MET CG C 13 30.43326803 0.2 . 1 . . . . . 819 MET CG . 52029 1
796 . 1 . 1 84 84 MET N N 15 117.9405773 0.05 . 1 . . . . . 819 MET N . 52029 1
797 . 1 . 1 85 85 LYS H H 1 7.50428153 0.025 . 1 . . . . . 820 LYS H . 52029 1
798 . 1 . 1 85 85 LYS HA H 1 3.844724089 0.1 . 1 . . . . . 820 LYS HA . 52029 1
799 . 1 . 1 85 85 LYS HB2 H 1 1.734012384 0.1 . 1 . . . . . 820 LYS HB2 . 52029 1
800 . 1 . 1 85 85 LYS HG2 H 1 1.341313082 0.1 . 1 . . . . . 820 LYS HG2 . 52029 1
801 . 1 . 1 85 85 LYS HG3 H 1 1.463342475 0.1 . 1 . . . . . 820 LYS HG3 . 52029 1
802 . 1 . 1 85 85 LYS HD2 H 1 1.553648638 0.1 . 1 . . . . . 820 LYS HD2 . 52029 1
803 . 1 . 1 85 85 LYS HE2 H 1 2.856511854 0.1 . 1 . . . . . 820 LYS HE2 . 52029 1
804 . 1 . 1 85 85 LYS CA C 13 58.5849613 0.1 . 1 . . . . . 820 LYS CA . 52029 1
805 . 1 . 1 85 85 LYS CB C 13 32.63421614 0.2 . 1 . . . . . 820 LYS CB . 52029 1
806 . 1 . 1 85 85 LYS CG C 13 25.30657028 0.2 . 1 . . . . . 820 LYS CG . 52029 1
807 . 1 . 1 85 85 LYS CD C 13 29.00441313 0.2 . 1 . . . . . 820 LYS CD . 52029 1
808 . 1 . 1 85 85 LYS CE C 13 42.12644677 0.2 . 1 . . . . . 820 LYS CE . 52029 1
809 . 1 . 1 85 85 LYS N N 15 117.2479842 0.05 . 1 . . . . . 820 LYS N . 52029 1
810 . 1 . 1 86 86 LYS H H 1 7.627800619 0.025 . 1 . . . . . 821 LYS H . 52029 1
811 . 1 . 1 86 86 LYS HA H 1 3.852966338 0.1 . 1 . . . . . 821 LYS HA . 52029 1
812 . 1 . 1 86 86 LYS HB2 H 1 1.388508135 0.1 . 1 . . . . . 821 LYS HB2 . 52029 1
813 . 1 . 1 86 86 LYS HB3 H 1 1.568771896 0.1 . 1 . . . . . 821 LYS HB3 . 52029 1
814 . 1 . 1 86 86 LYS HG2 H 1 0.2688360056 0.1 . 1 . . . . . 821 LYS HG2 . 52029 1
815 . 1 . 1 86 86 LYS HG3 H 1 0.5234931841 0.1 . 1 . . . . . 821 LYS HG3 . 52029 1
816 . 1 . 1 86 86 LYS HD2 H 1 1.34888631 0.1 . 1 . . . . . 821 LYS HD2 . 52029 1
817 . 1 . 1 86 86 LYS HE2 H 1 2.440515902 0.1 . 1 . . . . . 821 LYS HE2 . 52029 1
818 . 1 . 1 86 86 LYS HE3 H 1 2.579289691 0.1 . 1 . . . . . 821 LYS HE3 . 52029 1
819 . 1 . 1 86 86 LYS CA C 13 58.18745822 0.1 . 1 . . . . . 821 LYS CA . 52029 1
820 . 1 . 1 86 86 LYS CB C 13 33.22421328 0.2 . 1 . . . . . 821 LYS CB . 52029 1
821 . 1 . 1 86 86 LYS CG C 13 24.27280821 0.2 . 1 . . . . . 821 LYS CG . 52029 1
822 . 1 . 1 86 86 LYS CD C 13 28.73909312 0.2 . 1 . . . . . 821 LYS CD . 52029 1
823 . 1 . 1 86 86 LYS CE C 13 42.07542407 0.2 . 1 . . . . . 821 LYS CE . 52029 1
824 . 1 . 1 86 86 LYS N N 15 117.4453377 0.05 . 1 . . . . . 821 LYS N . 52029 1
825 . 1 . 1 87 87 TRP H H 1 8.11678685 0.025 . 1 . . . . . 822 TRP H . 52029 1
826 . 1 . 1 87 87 TRP HA H 1 4.326473129 0.1 . 1 . . . . . 822 TRP HA . 52029 1
827 . 1 . 1 87 87 TRP HB2 H 1 1.637409175 0.1 . 1 . . . . . 822 TRP HB2 . 52029 1
828 . 1 . 1 87 87 TRP HB3 H 1 2.40901829 0.1 . 1 . . . . . 822 TRP HB3 . 52029 1
829 . 1 . 1 87 87 TRP HD1 H 1 6.890181787 0.1 . 1 . . . . . 822 TRP HD1 . 52029 1
830 . 1 . 1 87 87 TRP CA C 13 57.71682321 0.1 . 1 . . . . . 822 TRP CA . 52029 1
831 . 1 . 1 87 87 TRP CB C 13 29.30573921 0.2 . 1 . . . . . 822 TRP CB . 52029 1
832 . 1 . 1 87 87 TRP CD1 C 13 127.3666938 0.2 . 1 . . . . . 822 TRP CD1 . 52029 1
833 . 1 . 1 87 87 TRP N N 15 114.9234956 0.05 . 1 . . . . . 822 TRP N . 52029 1
834 . 1 . 1 88 88 HIS H H 1 7.570033538 0.025 . 1 . . . . . 823 HIS H . 52029 1
835 . 1 . 1 88 88 HIS HA H 1 5.41354102 0.1 . 1 . . . . . 823 HIS HA . 52029 1
836 . 1 . 1 88 88 HIS HB2 H 1 3.235914049 0.1 . 1 . . . . . 823 HIS HB2 . 52029 1
837 . 1 . 1 88 88 HIS HD2 H 1 7.102261355 0.1 . 1 . . . . . 823 HIS HD2 . 52029 1
838 . 1 . 1 88 88 HIS CA C 13 52.69589251 0.1 . 1 . . . . . 823 HIS CA . 52029 1
839 . 1 . 1 88 88 HIS CB C 13 29.16982862 0.2 . 1 . . . . . 823 HIS CB . 52029 1
840 . 1 . 1 88 88 HIS CD2 C 13 129.5972025 0.2 . 1 . . . . . 823 HIS CD2 . 52029 1
841 . 1 . 1 88 88 HIS N N 15 116.4891713 0.05 . 1 . . . . . 823 HIS N . 52029 1
842 . 1 . 1 89 89 SER H H 1 8.140471216 0.025 . 1 . . . . . 824 SER H . 52029 1
843 . 1 . 1 89 89 SER HA H 1 4.256525176 0.1 . 1 . . . . . 824 SER HA . 52029 1
844 . 1 . 1 89 89 SER HB2 H 1 3.922769103 0.1 . 1 . . . . . 824 SER HB2 . 52029 1
845 . 1 . 1 89 89 SER CA C 13 60.23562051 0.1 . 1 . . . . . 824 SER CA . 52029 1
846 . 1 . 1 89 89 SER CB C 13 63.47829448 0.2 . 1 . . . . . 824 SER CB . 52029 1
847 . 1 . 1 89 89 SER N N 15 115.8735213 0.05 . 1 . . . . . 824 SER N . 52029 1
848 . 1 . 1 90 90 ASP H H 1 8.628050331 0.025 . 1 . . . . . 825 ASP H . 52029 1
849 . 1 . 1 90 90 ASP HA H 1 4.467935827 0.1 . 1 . . . . . 825 ASP HA . 52029 1
850 . 1 . 1 90 90 ASP HB2 H 1 2.63149828 0.1 . 1 . . . . . 825 ASP HB2 . 52029 1
851 . 1 . 1 90 90 ASP CA C 13 54.41892825 0.1 . 1 . . . . . 825 ASP CA . 52029 1
852 . 1 . 1 90 90 ASP CB C 13 40.29041843 0.2 . 1 . . . . . 825 ASP CB . 52029 1
853 . 1 . 1 90 90 ASP N N 15 120.2699247 0.05 . 1 . . . . . 825 ASP N . 52029 1
854 . 1 . 1 91 91 ARG H H 1 7.939360013 0.025 . 1 . . . . . 826 ARG H . 52029 1
855 . 1 . 1 91 91 ARG HA H 1 4.309277411 0.1 . 1 . . . . . 826 ARG HA . 52029 1
856 . 1 . 1 91 91 ARG HB2 H 1 1.72347363 0.1 . 1 . . . . . 826 ARG HB2 . 52029 1
857 . 1 . 1 91 91 ARG HB3 H 1 1.818154845 0.1 . 1 . . . . . 826 ARG HB3 . 52029 1
858 . 1 . 1 91 91 ARG HG2 H 1 1.544734063 0.1 . 1 . . . . . 826 ARG HG2 . 52029 1
859 . 1 . 1 91 91 ARG HD2 H 1 3.098420034 0.1 . 1 . . . . . 826 ARG HD2 . 52029 1
860 . 1 . 1 91 91 ARG CA C 13 55.44571838 0.1 . 1 . . . . . 826 ARG CA . 52029 1
861 . 1 . 1 91 91 ARG CB C 13 30.57141701 0.2 . 1 . . . . . 826 ARG CB . 52029 1
862 . 1 . 1 91 91 ARG CG C 13 26.75809468 0.2 . 1 . . . . . 826 ARG CG . 52029 1
863 . 1 . 1 91 91 ARG CD C 13 42.91243328 0.2 . 1 . . . . . 826 ARG CD . 52029 1
864 . 1 . 1 91 91 ARG N N 15 119.9263362 0.05 . 1 . . . . . 826 ARG N . 52029 1
865 . 1 . 1 92 92 VAL H H 1 7.968946729 0.025 . 1 . . . . . 827 VAL H . 52029 1
866 . 1 . 1 92 92 VAL HA H 1 4.000371667 0.1 . 1 . . . . . 827 VAL HA . 52029 1
867 . 1 . 1 92 92 VAL HB H 1 1.992194633 0.1 . 1 . . . . . 827 VAL HB . 52029 1
868 . 1 . 1 92 92 VAL HG11 H 1 0.8444833028 0.1 . 2 . . . . . 827 VAL HG1# . 52029 1
869 . 1 . 1 92 92 VAL HG12 H 1 0.8444833028 0.1 . 2 . . . . . 827 VAL HG1# . 52029 1
870 . 1 . 1 92 92 VAL HG13 H 1 0.8444833028 0.1 . 2 . . . . . 827 VAL HG1# . 52029 1
871 . 1 . 1 92 92 VAL HG21 H 1 0.8591152636 0.1 . 2 . . . . . 827 VAL HG2# . 52029 1
872 . 1 . 1 92 92 VAL HG22 H 1 0.8591152636 0.1 . 2 . . . . . 827 VAL HG2# . 52029 1
873 . 1 . 1 92 92 VAL HG23 H 1 0.8591152636 0.1 . 2 . . . . . 827 VAL HG2# . 52029 1
874 . 1 . 1 92 92 VAL CA C 13 62.46566485 0.1 . 1 . . . . . 827 VAL CA . 52029 1
875 . 1 . 1 92 92 VAL CB C 13 32.52610177 0.2 . 1 . . . . . 827 VAL CB . 52029 1
876 . 1 . 1 92 92 VAL CG1 C 13 21.16799201 0.2 . 1 . . . . . 827 VAL CG1 . 52029 1
877 . 1 . 1 92 92 VAL CG2 C 13 20.75736549 0.2 . 1 . . . . . 827 VAL CG2 . 52029 1
878 . 1 . 1 92 92 VAL N N 15 120.8898203 0.05 . 1 . . . . . 827 VAL N . 52029 1
879 . 1 . 1 93 93 LEU H H 1 8.317162375 0.025 . 1 . . . . . 828 LEU H . 52029 1
880 . 1 . 1 93 93 LEU HA H 1 4.292941783 0.1 . 1 . . . . . 828 LEU HA . 52029 1
881 . 1 . 1 93 93 LEU HB2 H 1 1.492746819 0.1 . 1 . . . . . 828 LEU HB2 . 52029 1
882 . 1 . 1 93 93 LEU HB3 H 1 1.570238301 0.1 . 1 . . . . . 828 LEU HB3 . 52029 1
883 . 1 . 1 93 93 LEU HG H 1 1.531591654 0.1 . 1 . . . . . 828 LEU HG . 52029 1
884 . 1 . 1 93 93 LEU HD11 H 1 0.7778476533 0.1 . 2 . . . . . 828 LEU HD1# . 52029 1
885 . 1 . 1 93 93 LEU HD12 H 1 0.7778476533 0.1 . 2 . . . . . 828 LEU HD1# . 52029 1
886 . 1 . 1 93 93 LEU HD13 H 1 0.7778476533 0.1 . 2 . . . . . 828 LEU HD1# . 52029 1
887 . 1 . 1 93 93 LEU HD21 H 1 0.8431266725 0.1 . 2 . . . . . 828 LEU HD2# . 52029 1
888 . 1 . 1 93 93 LEU HD22 H 1 0.8431266725 0.1 . 2 . . . . . 828 LEU HD2# . 52029 1
889 . 1 . 1 93 93 LEU HD23 H 1 0.8431266725 0.1 . 2 . . . . . 828 LEU HD2# . 52029 1
890 . 1 . 1 93 93 LEU CA C 13 54.98985197 0.1 . 1 . . . . . 828 LEU CA . 52029 1
891 . 1 . 1 93 93 LEU CB C 13 42.31719926 0.2 . 1 . . . . . 828 LEU CB . 52029 1
892 . 1 . 1 93 93 LEU CG C 13 26.97929891 0.2 . 1 . . . . . 828 LEU CG . 52029 1
893 . 1 . 1 93 93 LEU CD1 C 13 23.47983146 0.2 . 1 . . . . . 828 LEU CD1 . 52029 1
894 . 1 . 1 93 93 LEU CD2 C 13 24.90896146 0.2 . 1 . . . . . 828 LEU CD2 . 52029 1
895 . 1 . 1 93 93 LEU N N 15 126.0267603 0.05 . 1 . . . . . 828 LEU N . 52029 1
896 . 1 . 1 94 94 ASN H H 1 8.370928546 0.025 . 1 . . . . . 829 ASN H . 52029 1
897 . 1 . 1 94 94 ASN HA H 1 4.608650771 0.1 . 1 . . . . . 829 ASN HA . 52029 1
898 . 1 . 1 94 94 ASN HB2 H 1 2.683712947 0.1 . 1 . . . . . 829 ASN HB2 . 52029 1
899 . 1 . 1 94 94 ASN HB3 H 1 2.773816557 0.1 . 1 . . . . . 829 ASN HB3 . 52029 1
900 . 1 . 1 94 94 ASN CA C 13 53.19680992 0.1 . 1 . . . . . 829 ASN CA . 52029 1
901 . 1 . 1 94 94 ASN CB C 13 38.93857078 0.2 . 1 . . . . . 829 ASN CB . 52029 1
902 . 1 . 1 94 94 ASN N N 15 119.5490576 0.05 . 1 . . . . . 829 ASN N . 52029 1
903 . 1 . 1 95 95 ASN H H 1 8.389150103 0.025 . 1 . . . . . 830 ASN H . 52029 1
904 . 1 . 1 95 95 ASN HA H 1 4.630430827 0.1 . 1 . . . . . 830 ASN HA . 52029 1
905 . 1 . 1 95 95 ASN HB2 H 1 2.649991535 0.1 . 1 . . . . . 830 ASN HB2 . 52029 1
906 . 1 . 1 95 95 ASN HB3 H 1 2.742253316 0.1 . 1 . . . . . 830 ASN HB3 . 52029 1
907 . 1 . 1 95 95 ASN CA C 13 53.32957826 0.1 . 1 . . . . . 830 ASN CA . 52029 1
908 . 1 . 1 95 95 ASN CB C 13 38.95071049 0.2 . 1 . . . . . 830 ASN CB . 52029 1
909 . 1 . 1 95 95 ASN N N 15 119.4591207 0.05 . 1 . . . . . 830 ASN N . 52029 1
910 . 1 . 1 96 96 ASP H H 1 8.300971706 0.025 . 1 . . . . . 831 ASP H . 52029 1
911 . 1 . 1 96 96 ASP HA H 1 4.518856181 0.1 . 1 . . . . . 831 ASP HA . 52029 1
912 . 1 . 1 96 96 ASP HB2 H 1 2.521912698 0.1 . 1 . . . . . 831 ASP HB2 . 52029 1
913 . 1 . 1 96 96 ASP HB3 H 1 2.615097365 0.1 . 1 . . . . . 831 ASP HB3 . 52029 1
914 . 1 . 1 96 96 ASP CA C 13 54.46022352 0.1 . 1 . . . . . 831 ASP CA . 52029 1
915 . 1 . 1 96 96 ASP CB C 13 41.02596643 0.2 . 1 . . . . . 831 ASP CB . 52029 1
916 . 1 . 1 96 96 ASP N N 15 120.5090976 0.05 . 1 . . . . . 831 ASP N . 52029 1
917 . 1 . 1 97 97 ILE H H 1 7.908488149 0.025 . 1 . . . . . 832 ILE H . 52029 1
918 . 1 . 1 97 97 ILE HA H 1 4.066049084 0.1 . 1 . . . . . 832 ILE HA . 52029 1
919 . 1 . 1 97 97 ILE HB H 1 1.783381379 0.1 . 1 . . . . . 832 ILE HB . 52029 1
920 . 1 . 1 97 97 ILE HG12 H 1 1.087049231 0.1 . 1 . . . . . 832 ILE HG12 . 52029 1
921 . 1 . 1 97 97 ILE HG13 H 1 1.378358588 0.1 . 1 . . . . . 832 ILE HG13 . 52029 1
922 . 1 . 1 97 97 ILE HG21 H 1 0.8011825776 0.1 . 1 . . . . . 832 ILE HG2# . 52029 1
923 . 1 . 1 97 97 ILE HG22 H 1 0.8011825776 0.1 . 1 . . . . . 832 ILE HG2# . 52029 1
924 . 1 . 1 97 97 ILE HG23 H 1 0.8011825776 0.1 . 1 . . . . . 832 ILE HG2# . 52029 1
925 . 1 . 1 97 97 ILE HD11 H 1 0.7730242839 0.1 . 1 . . . . . 832 ILE HD1# . 52029 1
926 . 1 . 1 97 97 ILE HD12 H 1 0.7730242839 0.1 . 1 . . . . . 832 ILE HD1# . 52029 1
927 . 1 . 1 97 97 ILE HD13 H 1 0.7730242839 0.1 . 1 . . . . . 832 ILE HD1# . 52029 1
928 . 1 . 1 97 97 ILE CA C 13 61.0387576 0.1 . 1 . . . . . 832 ILE CA . 52029 1
929 . 1 . 1 97 97 ILE CB C 13 38.54835096 0.2 . 1 . . . . . 832 ILE CB . 52029 1
930 . 1 . 1 97 97 ILE CG1 C 13 27.19407164 0.2 . 1 . . . . . 832 ILE CG1 . 52029 1
931 . 1 . 1 97 97 ILE CG2 C 13 17.46710735 0.2 . 1 . . . . . 832 ILE CG2 . 52029 1
932 . 1 . 1 97 97 ILE CD1 C 13 12.85757771 0.2 . 1 . . . . . 832 ILE CD1 . 52029 1
933 . 1 . 1 97 97 ILE N N 15 120.6914285 0.05 . 1 . . . . . 832 ILE N . 52029 1
934 . 1 . 1 98 98 LYS H H 1 8.374452486 0.025 . 1 . . . . . 833 LYS H . 52029 1
935 . 1 . 1 98 98 LYS HA H 1 4.383523946 0.1 . 1 . . . . . 833 LYS HA . 52029 1
936 . 1 . 1 98 98 LYS HB2 H 1 1.700117412 0.1 . 1 . . . . . 833 LYS HB2 . 52029 1
937 . 1 . 1 98 98 LYS HB3 H 1 1.78012198 0.1 . 1 . . . . . 833 LYS HB3 . 52029 1
938 . 1 . 1 98 98 LYS HG2 H 1 1.328538988 0.1 . 1 . . . . . 833 LYS HG2 . 52029 1
939 . 1 . 1 98 98 LYS HG3 H 1 1.371136478 0.1 . 1 . . . . . 833 LYS HG3 . 52029 1
940 . 1 . 1 98 98 LYS HD2 H 1 1.606868222 0.1 . 1 . . . . . 833 LYS HD2 . 52029 1
941 . 1 . 1 98 98 LYS HE2 H 1 2.923333135 0.1 . 1 . . . . . 833 LYS HE2 . 52029 1
942 . 1 . 1 98 98 LYS CA C 13 55.94616819 0.1 . 1 . . . . . 833 LYS CA . 52029 1
943 . 1 . 1 98 98 LYS CB C 13 33.13386578 0.2 . 1 . . . . . 833 LYS CB . 52029 1
944 . 1 . 1 98 98 LYS CG C 13 24.58944877 0.2 . 1 . . . . . 833 LYS CG . 52029 1
945 . 1 . 1 98 98 LYS CD C 13 28.92947698 0.2 . 1 . . . . . 833 LYS CD . 52029 1
946 . 1 . 1 98 98 LYS CE C 13 42.1455498 0.2 . 1 . . . . . 833 LYS CE . 52029 1
947 . 1 . 1 98 98 LYS N N 15 126.2401034 0.05 . 1 . . . . . 833 LYS N . 52029 1
948 . 1 . 1 99 99 THR H H 1 8.263021847 0.025 . 1 . . . . . 834 THR H . 52029 1
949 . 1 . 1 99 99 THR HA H 1 4.276054357 0.1 . 1 . . . . . 834 THR HA . 52029 1
950 . 1 . 1 99 99 THR HB H 1 4.181308425 0.1 . 1 . . . . . 834 THR HB . 52029 1
951 . 1 . 1 99 99 THR HG21 H 1 1.113772519 0.1 . 1 . . . . . 834 THR HG2 . 52029 1
952 . 1 . 1 99 99 THR HG22 H 1 1.113772519 0.1 . 1 . . . . . 834 THR HG2 . 52029 1
953 . 1 . 1 99 99 THR HG23 H 1 1.113772519 0.1 . 1 . . . . . 834 THR HG2 . 52029 1
954 . 1 . 1 99 99 THR CA C 13 61.67856984 0.1 . 1 . . . . . 834 THR CA . 52029 1
955 . 1 . 1 99 99 THR CB C 13 69.80798154 0.2 . 1 . . . . . 834 THR CB . 52029 1
956 . 1 . 1 99 99 THR CG2 C 13 21.53871147 0.2 . 1 . . . . . 834 THR CG2 . 52029 1
957 . 1 . 1 99 99 THR N N 15 116.4233427 0.05 . 1 . . . . . 834 THR N . 52029 1
958 . 1 . 1 100 100 GLU H H 1 7.946116932 0.025 . 1 . . . . . 835 GLU H . 52029 1
959 . 1 . 1 100 100 GLU N N 15 127.8591225 0.05 . 1 . . . . . 835 GLU N . 52029 1
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