data_16051
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16051
_Entry.Title
;
Solution NMR structure of the OB domain (residues 67-166) of MM0293 from Methanosarcina mazei. Northeast Structural Genomics Consortium target MaR214a.
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2008-12-03
_Entry.Accession_date 2008-12-03
_Entry.Last_release_date 2011-02-24
_Entry.Original_release_date 2011-02-24
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.13
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Theresa Ramelot . A. . 16051
2 Keyang Ding . . . 16051
3 Melissa Magliqui . . . 16051
4 Mei Jiang . . . 16051
5 Colleen Ciccosanti . . . 16051
6 Rong Xiao . . . 16051
7 Jinfeng Lui . . . 16051
8 John Everett . K. . 16051
9 G.V.T. Swapna . . . 16051
10 Thomas Acton . B. . 16051
11 Burkhardt Rost . . . 16051
12 Gaetano Montelione . T. . 16051
13 Michael Kennedy . A. . 16051
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16051
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'beta barrel' . 16051
'nucleic acid binding protein' . 16051
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 16051
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 463 16051
'15N chemical shifts' 119 16051
'1H chemical shifts' 769 16051
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2011-02-24 2008-12-03 original author . 16051
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2KBN 'BMRB Entry Tracking System' 16051
PDB 2KEN 'BMRB Entry Tracking System' 16051
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 16051
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title 'NMR structure of the OB domain of mm0293 from the archea methanosarcina mazei'
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'Not known'
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Michael Kennedy . A. . 16051 1
2 Theresa Ramelot . A. . 16051 1
3 Keyang Ding . . . 16051 1
4 Melissa Magliqui . . . 16051 1
5 Mei Jiang . . . 16051 1
6 Colleen Ciccosanti . . . 16051 1
7 Rong Xiao . . . 16051 1
8 Jinfeng Lui . . . 16051 1
9 John Everett . K. . 16051 1
10 G.V.T. Swapna . . . 16051 1
11 Thomas Acton . B. . 16051 1
12 Burkhardt Rost . . . 16051 1
13 Gaetano Montelione . T. . 16051 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'NMR structure' 16051 1
'OB domain' 16051 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 16051
_Assembly.ID 1
_Assembly.Name MM0293
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 MM0293 1 $MM0293 A . yes native no no . . . 16051 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_MM0293
_Entity.Sf_category entity
_Entity.Sf_framecode MM0293
_Entity.Entry_ID 16051
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name MM0293
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MEPQLTKIVDIVENGQWANL
KAKVIQLWENTHESISQVGL
LGDETGIIKFTIWKNAELPL
LEQGESYLLRSVVVGEYNDR
FQVQVNKNSSIEKLSEPIEV
GLEHHHHHH
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq
;
Residues 2-100 correspond to residues 67-166 in the full-length protein.
Residues 101-109 correspond to residues associated with the C-terminal His tag.
;
_Entity.Polymer_author_seq_details
;
Residues 2-100 correspond to residues 67-166 in the full-length protein.
Residues 101-109 correspond to residues associated with the C-terminal His tag.
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 109
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 12519.227
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no BMRB 16154 . OB-domain . . . . . 100.00 109 100.00 100.00 6.10e-71 . . . . 16051 1
2 no PDB 2KBN . "Solution Nmr Structure Of The Ob Domain (Residues 67-166) Of Mm0293 From Methanosarcina Mazei. Northeast Structural Genomics Co" . . . . . 100.00 109 100.00 100.00 6.10e-71 . . . . 16051 1
3 no PDB 2KEN . "Solution Nmr Structure Of The Ob Domain (Residues 67-166) Of Mm0293 From Methanosarcina Mazei. Northeast Structural Genomics Co" . . . . . 100.00 109 100.00 100.00 6.10e-71 . . . . 16051 1
stop_
loop_
_Entity_biological_function.Biological_function
_Entity_biological_function.Entry_ID
_Entity_biological_function.Entity_ID
'nucleic acid binding protein' 16051 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . MET . 16051 1
2 . GLU . 16051 1
3 . PRO . 16051 1
4 . GLN . 16051 1
5 . LEU . 16051 1
6 . THR . 16051 1
7 . LYS . 16051 1
8 . ILE . 16051 1
9 . VAL . 16051 1
10 . ASP . 16051 1
11 . ILE . 16051 1
12 . VAL . 16051 1
13 . GLU . 16051 1
14 . ASN . 16051 1
15 . GLY . 16051 1
16 . GLN . 16051 1
17 . TRP . 16051 1
18 . ALA . 16051 1
19 . ASN . 16051 1
20 . LEU . 16051 1
21 . LYS . 16051 1
22 . ALA . 16051 1
23 . LYS . 16051 1
24 . VAL . 16051 1
25 . ILE . 16051 1
26 . GLN . 16051 1
27 . LEU . 16051 1
28 . TRP . 16051 1
29 . GLU . 16051 1
30 . ASN . 16051 1
31 . THR . 16051 1
32 . HIS . 16051 1
33 . GLU . 16051 1
34 . SER . 16051 1
35 . ILE . 16051 1
36 . SER . 16051 1
37 . GLN . 16051 1
38 . VAL . 16051 1
39 . GLY . 16051 1
40 . LEU . 16051 1
41 . LEU . 16051 1
42 . GLY . 16051 1
43 . ASP . 16051 1
44 . GLU . 16051 1
45 . THR . 16051 1
46 . GLY . 16051 1
47 . ILE . 16051 1
48 . ILE . 16051 1
49 . LYS . 16051 1
50 . PHE . 16051 1
51 . THR . 16051 1
52 . ILE . 16051 1
53 . TRP . 16051 1
54 . LYS . 16051 1
55 . ASN . 16051 1
56 . ALA . 16051 1
57 . GLU . 16051 1
58 . LEU . 16051 1
59 . PRO . 16051 1
60 . LEU . 16051 1
61 . LEU . 16051 1
62 . GLU . 16051 1
63 . GLN . 16051 1
64 . GLY . 16051 1
65 . GLU . 16051 1
66 . SER . 16051 1
67 . TYR . 16051 1
68 . LEU . 16051 1
69 . LEU . 16051 1
70 . ARG . 16051 1
71 . SER . 16051 1
72 . VAL . 16051 1
73 . VAL . 16051 1
74 . VAL . 16051 1
75 . GLY . 16051 1
76 . GLU . 16051 1
77 . TYR . 16051 1
78 . ASN . 16051 1
79 . ASP . 16051 1
80 . ARG . 16051 1
81 . PHE . 16051 1
82 . GLN . 16051 1
83 . VAL . 16051 1
84 . GLN . 16051 1
85 . VAL . 16051 1
86 . ASN . 16051 1
87 . LYS . 16051 1
88 . ASN . 16051 1
89 . SER . 16051 1
90 . SER . 16051 1
91 . ILE . 16051 1
92 . GLU . 16051 1
93 . LYS . 16051 1
94 . LEU . 16051 1
95 . SER . 16051 1
96 . GLU . 16051 1
97 . PRO . 16051 1
98 . ILE . 16051 1
99 . GLU . 16051 1
100 . VAL . 16051 1
101 . GLY . 16051 1
102 . LEU . 16051 1
103 . GLU . 16051 1
104 . HIS . 16051 1
105 . HIS . 16051 1
106 . HIS . 16051 1
107 . HIS . 16051 1
108 . HIS . 16051 1
109 . HIS . 16051 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 16051 1
. GLU 2 2 16051 1
. PRO 3 3 16051 1
. GLN 4 4 16051 1
. LEU 5 5 16051 1
. THR 6 6 16051 1
. LYS 7 7 16051 1
. ILE 8 8 16051 1
. VAL 9 9 16051 1
. ASP 10 10 16051 1
. ILE 11 11 16051 1
. VAL 12 12 16051 1
. GLU 13 13 16051 1
. ASN 14 14 16051 1
. GLY 15 15 16051 1
. GLN 16 16 16051 1
. TRP 17 17 16051 1
. ALA 18 18 16051 1
. ASN 19 19 16051 1
. LEU 20 20 16051 1
. LYS 21 21 16051 1
. ALA 22 22 16051 1
. LYS 23 23 16051 1
. VAL 24 24 16051 1
. ILE 25 25 16051 1
. GLN 26 26 16051 1
. LEU 27 27 16051 1
. TRP 28 28 16051 1
. GLU 29 29 16051 1
. ASN 30 30 16051 1
. THR 31 31 16051 1
. HIS 32 32 16051 1
. GLU 33 33 16051 1
. SER 34 34 16051 1
. ILE 35 35 16051 1
. SER 36 36 16051 1
. GLN 37 37 16051 1
. VAL 38 38 16051 1
. GLY 39 39 16051 1
. LEU 40 40 16051 1
. LEU 41 41 16051 1
. GLY 42 42 16051 1
. ASP 43 43 16051 1
. GLU 44 44 16051 1
. THR 45 45 16051 1
. GLY 46 46 16051 1
. ILE 47 47 16051 1
. ILE 48 48 16051 1
. LYS 49 49 16051 1
. PHE 50 50 16051 1
. THR 51 51 16051 1
. ILE 52 52 16051 1
. TRP 53 53 16051 1
. LYS 54 54 16051 1
. ASN 55 55 16051 1
. ALA 56 56 16051 1
. GLU 57 57 16051 1
. LEU 58 58 16051 1
. PRO 59 59 16051 1
. LEU 60 60 16051 1
. LEU 61 61 16051 1
. GLU 62 62 16051 1
. GLN 63 63 16051 1
. GLY 64 64 16051 1
. GLU 65 65 16051 1
. SER 66 66 16051 1
. TYR 67 67 16051 1
. LEU 68 68 16051 1
. LEU 69 69 16051 1
. ARG 70 70 16051 1
. SER 71 71 16051 1
. VAL 72 72 16051 1
. VAL 73 73 16051 1
. VAL 74 74 16051 1
. GLY 75 75 16051 1
. GLU 76 76 16051 1
. TYR 77 77 16051 1
. ASN 78 78 16051 1
. ASP 79 79 16051 1
. ARG 80 80 16051 1
. PHE 81 81 16051 1
. GLN 82 82 16051 1
. VAL 83 83 16051 1
. GLN 84 84 16051 1
. VAL 85 85 16051 1
. ASN 86 86 16051 1
. LYS 87 87 16051 1
. ASN 88 88 16051 1
. SER 89 89 16051 1
. SER 90 90 16051 1
. ILE 91 91 16051 1
. GLU 92 92 16051 1
. LYS 93 93 16051 1
. LEU 94 94 16051 1
. SER 95 95 16051 1
. GLU 96 96 16051 1
. PRO 97 97 16051 1
. ILE 98 98 16051 1
. GLU 99 99 16051 1
. VAL 100 100 16051 1
. GLY 101 101 16051 1
. LEU 102 102 16051 1
. GLU 103 103 16051 1
. HIS 104 104 16051 1
. HIS 105 105 16051 1
. HIS 106 106 16051 1
. HIS 107 107 16051 1
. HIS 108 108 16051 1
. HIS 109 109 16051 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 16051
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $MM0293 . 2209 archeon . 'Methanosarcina mazei' 'Methanosarcina mazei' . . Archaea . Methanosarcina mazei Goe1 . . . . . . . . . . . . . . . MM0293 . . . . 16051 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source
_Entity_experimental_src_list.Entry_ID 16051
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $MM0293 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET21-23C . . . . . . 16051 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 16051
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details 'uniformly 15N-labeled; uniformly-13C-labeleld'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'OB domain' '[U-100% 13C; U-100% 15N]' . . 1 $MM0293 . . 1.2 . . mM . . . . 16051 1
2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16051 1
3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16051 1
4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16051 1
5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16051 1
6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16051 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 16051
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details 'uniformly 15N-labeled; 5%-13C-labeleld'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'OB domain' '[U-5% 13C; U-99% 15N]' . . 1 $MM0293 . . 1.2 . . mM . . . . 16051 2
2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16051 2
3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16051 2
4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16051 2
5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16051 2
6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16051 2
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 16051
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.1 . M 16051 1
pH 6.5 . pH 16051 1
pressure 1 . atm 16051 1
temperature 293 . K 16051 1
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Software.Sf_category software
_Software.Sf_framecode TOPSPIN
_Software.Entry_ID 16051
_Software.ID 1
_Software.Name TOPSPIN
_Software.Version 2.1
_Software.Details 'NMR data collection'
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bruker Biospin' . . 16051 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 16051 1
stop_
save_
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 16051
_Software.ID 2
_Software.Name SPARKY
_Software.Version 3.113
_Software.Details 'nmr data analysis'
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 16051 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 16051 2
stop_
save_
save_AutoAssign
_Software.Sf_category software
_Software.Sf_framecode AutoAssign
_Software.Entry_ID 16051
_Software.ID 3
_Software.Name AutoAssign
_Software.Version 2.3.0
_Software.Details 'automated assignment of backbone from NMR data'
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Zimmerman, Moseley, Kulikowski and Montelione' . . 16051 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 16051 3
stop_
save_
save_AutoStructure
_Software.Sf_category software
_Software.Sf_framecode AutoStructure
_Software.Entry_ID 16051
_Software.ID 4
_Software.Name AutoStruct
_Software.Version 2.2.1
_Software.Details 'structure calculations'
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Huang, Tejero, Powers and Montelione' . . 16051 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 16051 4
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 16051
_Software.ID 5
_Software.Name CYANA
_Software.Version 2.1
_Software.Details 'noe assignments'
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 16051 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 16051 5
stop_
save_
save_PSVS
_Software.Sf_category software
_Software.Sf_framecode PSVS
_Software.Entry_ID 16051
_Software.ID 6
_Software.Name PSVS
_Software.Version 1.3
_Software.Details 'structure/data quality analysis'
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bhattacharya and Montelione' . . 16051 6
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 16051 6
stop_
save_
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 16051
_Software.ID 7
_Software.Name CNS
_Software.Version 1.2
_Software.Details 'water refinement'
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16051 7
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 16051 7
stop_
save_
save_X-PLOR_NIH
_Software.Sf_category software
_Software.Sf_framecode X-PLOR_NIH
_Software.Entry_ID 16051
_Software.ID 8
_Software.Name 'X-PLOR NIH'
_Software.Version 2.2.1
_Software.Details 'structure refinement'
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Schwieters, Kuszewski, Tjandra and Clore' . . 16051 8
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 16051 8
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 16051
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 850
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 16051
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 16051
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker Avance . 850 . . . 16051 1
2 spectrometer_2 Varian INOVA . 600 . . . 16051 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 16051
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16051 1
2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16051 1
3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16051 1
4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16051 1
5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16051 1
6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16051 1
7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16051 1
8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16051 1
9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16051 1
10 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16051 1
11 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16051 1
12 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16051 1
13 '4D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16051 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 16051
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 16051 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $citation_1 . . 1 $citation_1 16051 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 16051 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 16051
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D HNCO' . . . 16051 1
2 '3D HNCA' . . . 16051 1
3 '3D HNCACB' . . . 16051 1
4 '3D CBCA(CO)NH' . . . 16051 1
5 '3D HCCH-TOCSY' . . . 16051 1
6 '3D H(CCO)NH' . . . 16051 1
7 '3D C(CO)NH' . . . 16051 1
8 '3D 1H-15N NOESY' . . . 16051 1
9 '3D 1H-13C NOESY' . . . 16051 1
13 '4D 1H-13C NOESY' . . . 16051 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 $TOPSPIN . . 16051 1
2 $SPARKY . . 16051 1
3 $AutoAssign . . 16051 1
4 $AutoStructure . . 16051 1
5 $CYANA . . 16051 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 3 3 PRO HA H 1 4.43 0.02 . 1 . . . . 3 PRO HA . 16051 1
2 . 1 1 3 3 PRO HB2 H 1 1.78 0.02 . 2 . . . . 3 PRO HB2 . 16051 1
3 . 1 1 3 3 PRO HB3 H 1 2.09 0.02 . 2 . . . . 3 PRO HB3 . 16051 1
4 . 1 1 3 3 PRO HD2 H 1 3.63 0.02 . 2 . . . . 3 PRO HD2 . 16051 1
5 . 1 1 3 3 PRO HD3 H 1 3.71 0.02 . 2 . . . . 3 PRO HD3 . 16051 1
6 . 1 1 3 3 PRO HG2 H 1 1.97 0.02 . 2 . . . . 3 PRO HG2 . 16051 1
7 . 1 1 3 3 PRO HG3 H 1 1.87 0.02 . 2 . . . . 3 PRO HG3 . 16051 1
8 . 1 1 3 3 PRO C C 13 175.6 0.2 . 1 . . . . 3 PRO C . 16051 1
9 . 1 1 3 3 PRO CA C 13 62.51 0.2 . 1 . . . . 3 PRO CA . 16051 1
10 . 1 1 3 3 PRO CB C 13 32 0.2 . 1 . . . . 3 PRO CB . 16051 1
11 . 1 1 3 3 PRO CD C 13 50.2 0.2 . 1 . . . . 3 PRO CD . 16051 1
12 . 1 1 3 3 PRO CG C 13 27.2 0.2 . 1 . . . . 3 PRO CG . 16051 1
13 . 1 1 4 4 GLN H H 1 8.58 0.02 . 1 . . . . 4 GLN H . 16051 1
14 . 1 1 4 4 GLN HA H 1 4.26 0.02 . 1 . . . . 4 GLN HA . 16051 1
15 . 1 1 4 4 GLN HB2 H 1 2.03 0.02 . 2 . . . . 4 GLN HB2 . 16051 1
16 . 1 1 4 4 GLN HB3 H 1 2.03 0.02 . 2 . . . . 4 GLN HB3 . 16051 1
17 . 1 1 4 4 GLN HE21 H 1 7.59 0.02 . 2 . . . . 4 GLN HE21 . 16051 1
18 . 1 1 4 4 GLN HE22 H 1 6.92 0.02 . 2 . . . . 4 GLN HE22 . 16051 1
19 . 1 1 4 4 GLN HG2 H 1 2.35 0.02 . 2 . . . . 4 GLN HG2 . 16051 1
20 . 1 1 4 4 GLN HG3 H 1 2.35 0.02 . 2 . . . . 4 GLN HG3 . 16051 1
21 . 1 1 4 4 GLN C C 13 176.9 0.2 . 1 . . . . 4 GLN C . 16051 1
22 . 1 1 4 4 GLN CA C 13 55.7 0.2 . 1 . . . . 4 GLN CA . 16051 1
23 . 1 1 4 4 GLN CB C 13 29.2 0.2 . 1 . . . . 4 GLN CB . 16051 1
24 . 1 1 4 4 GLN CG C 13 33.6 0.2 . 1 . . . . 4 GLN CG . 16051 1
25 . 1 1 4 4 GLN N N 15 120 0.2 . 1 . . . . 4 GLN N . 16051 1
26 . 1 1 4 4 GLN NE2 N 15 113.4 0.2 . 1 . . . . 4 GLN NE2 . 16051 1
27 . 1 1 5 5 LEU H H 1 8.92 0.02 . 1 . . . . 5 LEU H . 16051 1
28 . 1 1 5 5 LEU HA H 1 4.66 0.02 . 1 . . . . 5 LEU HA . 16051 1
29 . 1 1 5 5 LEU HB2 H 1 1.48 0.02 . 2 . . . . 5 LEU HB2 . 16051 1
30 . 1 1 5 5 LEU HB3 H 1 1.73 0.02 . 2 . . . . 5 LEU HB3 . 16051 1
31 . 1 1 5 5 LEU HD11 H 1 0.86 0.02 . 2 . . . . 5 LEU HD1 . 16051 1
32 . 1 1 5 5 LEU HD12 H 1 0.86 0.02 . 2 . . . . 5 LEU HD1 . 16051 1
33 . 1 1 5 5 LEU HD13 H 1 0.86 0.02 . 2 . . . . 5 LEU HD1 . 16051 1
34 . 1 1 5 5 LEU HD21 H 1 0.62 0.02 . 2 . . . . 5 LEU HD2 . 16051 1
35 . 1 1 5 5 LEU HD22 H 1 0.62 0.02 . 2 . . . . 5 LEU HD2 . 16051 1
36 . 1 1 5 5 LEU HD23 H 1 0.62 0.02 . 2 . . . . 5 LEU HD2 . 16051 1
37 . 1 1 5 5 LEU HG H 1 1.68 0.02 . 1 . . . . 5 LEU HG . 16051 1
38 . 1 1 5 5 LEU C C 13 176.9 0.2 . 1 . . . . 5 LEU C . 16051 1
39 . 1 1 5 5 LEU CA C 13 54.7 0.2 . 1 . . . . 5 LEU CA . 16051 1
40 . 1 1 5 5 LEU CB C 13 43 0.2 . 1 . . . . 5 LEU CB . 16051 1
41 . 1 1 5 5 LEU CD1 C 13 25.6 0.02 . 2 . . . . 5 LEU CD1 . 16051 1
42 . 1 1 5 5 LEU CD2 C 13 23.8 0.02 . 2 . . . . 5 LEU CD2 . 16051 1
43 . 1 1 5 5 LEU CG C 13 26.5 0.2 . 1 . . . . 5 LEU CG . 16051 1
44 . 1 1 5 5 LEU N N 15 128.5 0.2 . 1 . . . . 5 LEU N . 16051 1
45 . 1 1 6 6 THR H H 1 8.75 0.02 . 1 . . . . 6 THR H . 16051 1
46 . 1 1 6 6 THR HA H 1 4.53 0.02 . 1 . . . . 6 THR HA . 16051 1
47 . 1 1 6 6 THR HB H 1 3.66 0.02 . 1 . . . . 6 THR HB . 16051 1
48 . 1 1 6 6 THR HG21 H 1 1.12 0.02 . 1 . . . . 6 THR HG2 . 16051 1
49 . 1 1 6 6 THR HG22 H 1 1.12 0.02 . 1 . . . . 6 THR HG2 . 16051 1
50 . 1 1 6 6 THR HG23 H 1 1.12 0.02 . 1 . . . . 6 THR HG2 . 16051 1
51 . 1 1 6 6 THR C C 13 173.7 0.2 . 1 . . . . 6 THR C . 16051 1
52 . 1 1 6 6 THR CA C 13 61.6 0.2 . 1 . . . . 6 THR CA . 16051 1
53 . 1 1 6 6 THR CB C 13 72 0.2 . 1 . . . . 6 THR CB . 16051 1
54 . 1 1 6 6 THR CG2 C 13 20.7 0.2 . 1 . . . . 6 THR CG2 . 16051 1
55 . 1 1 6 6 THR N N 15 121 0.2 . 1 . . . . 6 THR N . 16051 1
56 . 1 1 7 7 LYS H H 1 9.08 0.02 . 1 . . . . 7 LYS H . 16051 1
57 . 1 1 7 7 LYS HA H 1 4.43 0.02 . 1 . . . . 7 LYS HA . 16051 1
58 . 1 1 7 7 LYS HB2 H 1 0.57 0.02 . 2 . . . . 7 LYS HB2 . 16051 1
59 . 1 1 7 7 LYS HB3 H 1 1.66 0.02 . 2 . . . . 7 LYS HB3 . 16051 1
60 . 1 1 7 7 LYS HD2 H 1 1.53 0.02 . 2 . . . . 7 LYS HD2 . 16051 1
61 . 1 1 7 7 LYS HD3 H 1 1.69 0.02 . 2 . . . . 7 LYS HD3 . 16051 1
62 . 1 1 7 7 LYS HE2 H 1 2.9 0.02 . 2 . . . . 7 LYS HE2 . 16051 1
63 . 1 1 7 7 LYS HE3 H 1 2.95 0.02 . 2 . . . . 7 LYS HE3 . 16051 1
64 . 1 1 7 7 LYS HG2 H 1 1.51 0.02 . 2 . . . . 7 LYS HG2 . 16051 1
65 . 1 1 7 7 LYS HG3 H 1 1.51 0.02 . 2 . . . . 7 LYS HG3 . 16051 1
66 . 1 1 7 7 LYS C C 13 178.6 0.2 . 1 . . . . 7 LYS C . 16051 1
67 . 1 1 7 7 LYS CA C 13 54.3 0.2 . 1 . . . . 7 LYS CA . 16051 1
68 . 1 1 7 7 LYS CB C 13 32.3 0.2 . 1 . . . . 7 LYS CB . 16051 1
69 . 1 1 7 7 LYS CD C 13 28.1 0.2 . 1 . . . . 7 LYS CD . 16051 1
70 . 1 1 7 7 LYS CE C 13 42.4 0.2 . 1 . . . . 7 LYS CE . 16051 1
71 . 1 1 7 7 LYS CG C 13 24.6 0.2 . 1 . . . . 7 LYS CG . 16051 1
72 . 1 1 7 7 LYS N N 15 126.3 0.2 . 1 . . . . 7 LYS N . 16051 1
73 . 1 1 8 8 ILE H H 1 9.87 0.02 . 1 . . . . 8 ILE H . 16051 1
74 . 1 1 8 8 ILE HA H 1 3.24 0.02 . 1 . . . . 8 ILE HA . 16051 1
75 . 1 1 8 8 ILE HB H 1 1.6 0.02 . 1 . . . . 8 ILE HB . 16051 1
76 . 1 1 8 8 ILE HD11 H 1 0.64 0.02 . 1 . . . . 8 ILE HD1 . 16051 1
77 . 1 1 8 8 ILE HD12 H 1 0.64 0.02 . 1 . . . . 8 ILE HD1 . 16051 1
78 . 1 1 8 8 ILE HD13 H 1 0.64 0.02 . 1 . . . . 8 ILE HD1 . 16051 1
79 . 1 1 8 8 ILE HG21 H 1 0.49 0.02 . 1 . . . . 8 ILE HG2 . 16051 1
80 . 1 1 8 8 ILE HG22 H 1 0.49 0.02 . 1 . . . . 8 ILE HG2 . 16051 1
81 . 1 1 8 8 ILE HG23 H 1 0.49 0.02 . 1 . . . . 8 ILE HG2 . 16051 1
82 . 1 1 8 8 ILE C C 13 178.7 0.2 . 1 . . . . 8 ILE C . 16051 1
83 . 1 1 8 8 ILE CA C 13 66.8 0.2 . 1 . . . . 8 ILE CA . 16051 1
84 . 1 1 8 8 ILE CB C 13 36.4 0.2 . 1 . . . . 8 ILE CB . 16051 1
85 . 1 1 8 8 ILE CD1 C 13 13.32 0.2 . 1 . . . . 8 ILE CD1 . 16051 1
86 . 1 1 8 8 ILE CG2 C 13 17.7 0.2 . 1 . . . . 8 ILE CG2 . 16051 1
87 . 1 1 8 8 ILE N N 15 124.7 0.2 . 1 . . . . 8 ILE N . 16051 1
88 . 1 1 9 9 VAL H H 1 8.34 0.02 . 1 . . . . 9 VAL H . 16051 1
89 . 1 1 9 9 VAL HA H 1 3.93 0.02 . 1 . . . . 9 VAL HA . 16051 1
90 . 1 1 9 9 VAL HB H 1 1.98 0.02 . 1 . . . . 9 VAL HB . 16051 1
91 . 1 1 9 9 VAL HG11 H 1 0.77 0.02 . 2 . . . . 9 VAL HG1 . 16051 1
92 . 1 1 9 9 VAL HG12 H 1 0.77 0.02 . 2 . . . . 9 VAL HG1 . 16051 1
93 . 1 1 9 9 VAL HG13 H 1 0.77 0.02 . 2 . . . . 9 VAL HG1 . 16051 1
94 . 1 1 9 9 VAL HG21 H 1 1.04 0.02 . 2 . . . . 9 VAL HG2 . 16051 1
95 . 1 1 9 9 VAL HG22 H 1 1.04 0.02 . 2 . . . . 9 VAL HG2 . 16051 1
96 . 1 1 9 9 VAL HG23 H 1 1.04 0.02 . 2 . . . . 9 VAL HG2 . 16051 1
97 . 1 1 9 9 VAL C C 13 178.7 0.2 . 1 . . . . 9 VAL C . 16051 1
98 . 1 1 9 9 VAL CA C 13 63.3 0.2 . 1 . . . . 9 VAL CA . 16051 1
99 . 1 1 9 9 VAL CB C 13 31.7 0.2 . 1 . . . . 9 VAL CB . 16051 1
100 . 1 1 9 9 VAL CG1 C 13 18.7 0.02 . 2 . . . . 9 VAL CG1 . 16051 1
101 . 1 1 9 9 VAL CG2 C 13 21.7 0.02 . 2 . . . . 9 VAL CG2 . 16051 1
102 . 1 1 9 9 VAL N N 15 119.5 0.2 . 1 . . . . 9 VAL N . 16051 1
103 . 1 1 10 10 ASP H H 1 7.51 0.02 . 1 . . . . 10 ASP H . 16051 1
104 . 1 1 10 10 ASP HA H 1 4.73 0.02 . 1 . . . . 10 ASP HA . 16051 1
105 . 1 1 10 10 ASP HB2 H 1 2.65 0.02 . 2 . . . . 10 ASP HB2 . 16051 1
106 . 1 1 10 10 ASP HB3 H 1 2.91 0.02 . 2 . . . . 10 ASP HB3 . 16051 1
107 . 1 1 10 10 ASP C C 13 174.5 0.2 . 1 . . . . 10 ASP C . 16051 1
108 . 1 1 10 10 ASP CA C 13 54.4 0.2 . 1 . . . . 10 ASP CA . 16051 1
109 . 1 1 10 10 ASP CB C 13 41.1 0.2 . 1 . . . . 10 ASP CB . 16051 1
110 . 1 1 10 10 ASP N N 15 119.1 0.2 . 1 . . . . 10 ASP N . 16051 1
111 . 1 1 11 11 ILE H H 1 7.46 0.02 . 1 . . . . 11 ILE H . 16051 1
112 . 1 1 11 11 ILE HA H 1 3.8 0.02 . 1 . . . . 11 ILE HA . 16051 1
113 . 1 1 11 11 ILE HB H 1 1.99 0.02 . 1 . . . . 11 ILE HB . 16051 1
114 . 1 1 11 11 ILE HD11 H 1 0.48 0.02 . 1 . . . . 11 ILE HD1 . 16051 1
115 . 1 1 11 11 ILE HD12 H 1 0.48 0.02 . 1 . . . . 11 ILE HD1 . 16051 1
116 . 1 1 11 11 ILE HD13 H 1 0.48 0.02 . 1 . . . . 11 ILE HD1 . 16051 1
117 . 1 1 11 11 ILE HG12 H 1 0.73 0.02 . 2 . . . . 11 ILE HG12 . 16051 1
118 . 1 1 11 11 ILE HG13 H 1 1.42 0.02 . 2 . . . . 11 ILE HG13 . 16051 1
119 . 1 1 11 11 ILE HG21 H 1 0.45 0.02 . 1 . . . . 11 ILE HG2 . 16051 1
120 . 1 1 11 11 ILE HG22 H 1 0.45 0.02 . 1 . . . . 11 ILE HG2 . 16051 1
121 . 1 1 11 11 ILE HG23 H 1 0.45 0.02 . 1 . . . . 11 ILE HG2 . 16051 1
122 . 1 1 11 11 ILE C C 13 174.9 0.2 . 1 . . . . 11 ILE C . 16051 1
123 . 1 1 11 11 ILE CA C 13 62.1 0.2 . 1 . . . . 11 ILE CA . 16051 1
124 . 1 1 11 11 ILE CB C 13 35.3 0.2 . 1 . . . . 11 ILE CB . 16051 1
125 . 1 1 11 11 ILE CD1 C 13 12.8 0.2 . 1 . . . . 11 ILE CD1 . 16051 1
126 . 1 1 11 11 ILE CG1 C 13 27.4 0.2 . 1 . . . . 11 ILE CG1 . 16051 1
127 . 1 1 11 11 ILE CG2 C 13 18.5 0.2 . 1 . . . . 11 ILE CG2 . 16051 1
128 . 1 1 11 11 ILE N N 15 124.2 0.2 . 1 . . . . 11 ILE N . 16051 1
129 . 1 1 12 12 VAL H H 1 8.53 0.02 . 1 . . . . 12 VAL H . 16051 1
130 . 1 1 12 12 VAL HA H 1 4.26 0.02 . 1 . . . . 12 VAL HA . 16051 1
131 . 1 1 12 12 VAL HB H 1 2.28 0.02 . 1 . . . . 12 VAL HB . 16051 1
132 . 1 1 12 12 VAL HG11 H 1 0.76 0.02 . 2 . . . . 12 VAL HG1 . 16051 1
133 . 1 1 12 12 VAL HG12 H 1 0.76 0.02 . 2 . . . . 12 VAL HG1 . 16051 1
134 . 1 1 12 12 VAL HG13 H 1 0.76 0.02 . 2 . . . . 12 VAL HG1 . 16051 1
135 . 1 1 12 12 VAL HG21 H 1 0.69 0.02 . 2 . . . . 12 VAL HG2 . 16051 1
136 . 1 1 12 12 VAL HG22 H 1 0.69 0.02 . 2 . . . . 12 VAL HG2 . 16051 1
137 . 1 1 12 12 VAL HG23 H 1 0.69 0.02 . 2 . . . . 12 VAL HG2 . 16051 1
138 . 1 1 12 12 VAL C C 13 174.9 0.2 . 1 . . . . 12 VAL C . 16051 1
139 . 1 1 12 12 VAL CA C 13 60.6 0.2 . 1 . . . . 12 VAL CA . 16051 1
140 . 1 1 12 12 VAL CB C 13 35.4 0.2 . 1 . . . . 12 VAL CB . 16051 1
141 . 1 1 12 12 VAL CG1 C 13 21.2 0.02 . 2 . . . . 12 VAL CG1 . 16051 1
142 . 1 1 12 12 VAL CG2 C 13 17.7 0.02 . 2 . . . . 12 VAL CG2 . 16051 1
143 . 1 1 12 12 VAL N N 15 118.4 0.2 . 1 . . . . 12 VAL N . 16051 1
144 . 1 1 13 13 GLU H H 1 7.43 0.02 . 1 . . . . 13 GLU H . 16051 1
145 . 1 1 13 13 GLU HA H 1 4.59 0.02 . 1 . . . . 13 GLU HA . 16051 1
146 . 1 1 13 13 GLU HB2 H 1 1.77 0.02 . 2 . . . . 13 GLU HB2 . 16051 1
147 . 1 1 13 13 GLU HB3 H 1 1.87 0.02 . 2 . . . . 13 GLU HB3 . 16051 1
148 . 1 1 13 13 GLU HG2 H 1 2.11 0.02 . 2 . . . . 13 GLU HG2 . 16051 1
149 . 1 1 13 13 GLU HG3 H 1 2.21 0.02 . 2 . . . . 13 GLU HG3 . 16051 1
150 . 1 1 13 13 GLU C C 13 173.8 0.2 . 1 . . . . 13 GLU C . 16051 1
151 . 1 1 13 13 GLU CA C 13 54.8 0.2 . 1 . . . . 13 GLU CA . 16051 1
152 . 1 1 13 13 GLU CB C 13 33.16 0.2 . 1 . . . . 13 GLU CB . 16051 1
153 . 1 1 13 13 GLU CG C 13 35.7 0.2 . 1 . . . . 13 GLU CG . 16051 1
154 . 1 1 13 13 GLU N N 15 120.1 0.2 . 1 . . . . 13 GLU N . 16051 1
155 . 1 1 14 14 ASN H H 1 8.8 0.02 . 1 . . . . 14 ASN H . 16051 1
156 . 1 1 14 14 ASN HA H 1 4.11 0.02 . 1 . . . . 14 ASN HA . 16051 1
157 . 1 1 14 14 ASN HB2 H 1 2.79 0.02 . 2 . . . . 14 ASN HB2 . 16051 1
158 . 1 1 14 14 ASN HB3 H 1 2.82 0.02 . 2 . . . . 14 ASN HB3 . 16051 1
159 . 1 1 14 14 ASN HD21 H 1 7.58 0.02 . 2 . . . . 14 ASN HD21 . 16051 1
160 . 1 1 14 14 ASN HD22 H 1 6.89 0.02 . 2 . . . . 14 ASN HD22 . 16051 1
161 . 1 1 14 14 ASN C C 13 176.6 0.2 . 1 . . . . 14 ASN C . 16051 1
162 . 1 1 14 14 ASN CA C 13 54.6 0.2 . 1 . . . . 14 ASN CA . 16051 1
163 . 1 1 14 14 ASN CB C 13 38.9 0.2 . 1 . . . . 14 ASN CB . 16051 1
164 . 1 1 14 14 ASN N N 15 121.5 0.2 . 1 . . . . 14 ASN N . 16051 1
165 . 1 1 14 14 ASN ND2 N 15 111.7 0.2 . 1 . . . . 14 ASN ND2 . 16051 1
166 . 1 1 15 15 GLY H H 1 8.62 0.02 . 1 . . . . 15 GLY H . 16051 1
167 . 1 1 15 15 GLY HA2 H 1 3.46 0.02 . 2 . . . . 15 GLY HA2 . 16051 1
168 . 1 1 15 15 GLY HA3 H 1 4.11 0.02 . 2 . . . . 15 GLY HA3 . 16051 1
169 . 1 1 15 15 GLY C C 13 173.1 0.2 . 1 . . . . 15 GLY C . 16051 1
170 . 1 1 15 15 GLY CA C 13 45.3 0.2 . 1 . . . . 15 GLY CA . 16051 1
171 . 1 1 15 15 GLY N N 15 114.9 0.2 . 1 . . . . 15 GLY N . 16051 1
172 . 1 1 16 16 GLN H H 1 7.28 0.02 . 1 . . . . 16 GLN H . 16051 1
173 . 1 1 16 16 GLN HA H 1 4.16 0.02 . 1 . . . . 16 GLN HA . 16051 1
174 . 1 1 16 16 GLN HB2 H 1 1.85 0.02 . 2 . . . . 16 GLN HB2 . 16051 1
175 . 1 1 16 16 GLN HB3 H 1 2.19 0.02 . 2 . . . . 16 GLN HB3 . 16051 1
176 . 1 1 16 16 GLN HE21 H 1 7.8 0.02 . 2 . . . . 16 GLN HE21 . 16051 1
177 . 1 1 16 16 GLN HE22 H 1 6.92 0.02 . 2 . . . . 16 GLN HE22 . 16051 1
178 . 1 1 16 16 GLN HG2 H 1 2.12 0.02 . 2 . . . . 16 GLN HG2 . 16051 1
179 . 1 1 16 16 GLN HG3 H 1 2.45 0.02 . 2 . . . . 16 GLN HG3 . 16051 1
180 . 1 1 16 16 GLN C C 13 174.4 0.2 . 1 . . . . 16 GLN C . 16051 1
181 . 1 1 16 16 GLN CA C 13 56.3 0.2 . 1 . . . . 16 GLN CA . 16051 1
182 . 1 1 16 16 GLN CB C 13 30.3 0.2 . 1 . . . . 16 GLN CB . 16051 1
183 . 1 1 16 16 GLN CG C 13 32.5 0.2 . 1 . . . . 16 GLN CG . 16051 1
184 . 1 1 16 16 GLN N N 15 121.5 0.2 . 1 . . . . 16 GLN N . 16051 1
185 . 1 1 16 16 GLN NE2 N 15 108.5 0.2 . 1 . . . . 16 GLN NE2 . 16051 1
186 . 1 1 17 17 TRP H H 1 8.64 0.02 . 1 . . . . 17 TRP H . 16051 1
187 . 1 1 17 17 TRP HA H 1 5.4 0.02 . 1 . . . . 17 TRP HA . 16051 1
188 . 1 1 17 17 TRP HB2 H 1 3.02 0.02 . 2 . . . . 17 TRP HB2 . 16051 1
189 . 1 1 17 17 TRP HB3 H 1 3.15 0.02 . 2 . . . . 17 TRP HB3 . 16051 1
190 . 1 1 17 17 TRP HD1 H 1 7.33 0.02 . 1 . . . . 17 TRP HD1 . 16051 1
191 . 1 1 17 17 TRP HE1 H 1 9.95 0.02 . 1 . . . . 17 TRP HE1 . 16051 1
192 . 1 1 17 17 TRP HE3 H 1 7.28 0.02 . 1 . . . . 17 TRP HE3 . 16051 1
193 . 1 1 17 17 TRP HH2 H 1 7.14 0.02 . 1 . . . . 17 TRP HH2 . 16051 1
194 . 1 1 17 17 TRP HZ2 H 1 7.42 0.02 . 1 . . . . 17 TRP HZ2 . 16051 1
195 . 1 1 17 17 TRP HZ3 H 1 7.07 0.02 . 1 . . . . 17 TRP HZ3 . 16051 1
196 . 1 1 17 17 TRP C C 13 176.9 0.2 . 1 . . . . 17 TRP C . 16051 1
197 . 1 1 17 17 TRP CA C 13 56.4 0.2 . 1 . . . . 17 TRP CA . 16051 1
198 . 1 1 17 17 TRP CB C 13 30.3 0.2 . 1 . . . . 17 TRP CB . 16051 1
199 . 1 1 17 17 TRP CD1 C 13 127.5 0.2 . 1 . . . . 17 TRP CD1 . 16051 1
200 . 1 1 17 17 TRP CE3 C 13 120.7 0.2 . 1 . . . . 17 TRP CE3 . 16051 1
201 . 1 1 17 17 TRP CH2 C 13 123.9 0.2 . 1 . . . . 17 TRP CH2 . 16051 1
202 . 1 1 17 17 TRP CZ2 C 13 114.5 0.2 . 1 . . . . 17 TRP CZ2 . 16051 1
203 . 1 1 17 17 TRP CZ3 C 13 121.2 0.2 . 1 . . . . 17 TRP CZ3 . 16051 1
204 . 1 1 17 17 TRP N N 15 125.5 0.2 . 1 . . . . 17 TRP N . 16051 1
205 . 1 1 17 17 TRP NE1 N 15 129.2 0.2 . 1 . . . . 17 TRP NE1 . 16051 1
206 . 1 1 18 18 ALA H H 1 9.02 0.02 . 1 . . . . 18 ALA H . 16051 1
207 . 1 1 18 18 ALA HA H 1 4.65 0.02 . 1 . . . . 18 ALA HA . 16051 1
208 . 1 1 18 18 ALA HB1 H 1 0.99 0.02 . 1 . . . . 18 ALA HB . 16051 1
209 . 1 1 18 18 ALA HB2 H 1 0.99 0.02 . 1 . . . . 18 ALA HB . 16051 1
210 . 1 1 18 18 ALA HB3 H 1 0.99 0.02 . 1 . . . . 18 ALA HB . 16051 1
211 . 1 1 18 18 ALA C C 13 174.1 0.2 . 1 . . . . 18 ALA C . 16051 1
212 . 1 1 18 18 ALA CA C 13 51.43 0.2 . 1 . . . . 18 ALA CA . 16051 1
213 . 1 1 18 18 ALA CB C 13 22.6 0.2 . 1 . . . . 18 ALA CB . 16051 1
214 . 1 1 18 18 ALA N N 15 124 0.2 . 1 . . . . 18 ALA N . 16051 1
215 . 1 1 19 19 ASN H H 1 8.25 0.02 . 1 . . . . 19 ASN H . 16051 1
216 . 1 1 19 19 ASN HA H 1 5.71 0.02 . 1 . . . . 19 ASN HA . 16051 1
217 . 1 1 19 19 ASN HB2 H 1 2.34 0.02 . 2 . . . . 19 ASN HB2 . 16051 1
218 . 1 1 19 19 ASN HB3 H 1 2.96 0.02 . 2 . . . . 19 ASN HB3 . 16051 1
219 . 1 1 19 19 ASN HD21 H 1 7.9 0.02 . 2 . . . . 19 ASN HD21 . 16051 1
220 . 1 1 19 19 ASN HD22 H 1 7.11 0.02 . 2 . . . . 19 ASN HD22 . 16051 1
221 . 1 1 19 19 ASN C C 13 173.5 0.2 . 1 . . . . 19 ASN C . 16051 1
222 . 1 1 19 19 ASN CA C 13 51.6 0.2 . 1 . . . . 19 ASN CA . 16051 1
223 . 1 1 19 19 ASN CB C 13 40.1 0.2 . 1 . . . . 19 ASN CB . 16051 1
224 . 1 1 19 19 ASN N N 15 116.5 0.2 . 1 . . . . 19 ASN N . 16051 1
225 . 1 1 19 19 ASN ND2 N 15 116.2 0.2 . 1 . . . . 19 ASN ND2 . 16051 1
226 . 1 1 20 20 LEU H H 1 9.28 0.02 . 1 . . . . 20 LEU H . 16051 1
227 . 1 1 20 20 LEU HA H 1 4.93 0.02 . 1 . . . . 20 LEU HA . 16051 1
228 . 1 1 20 20 LEU HB2 H 1 1.44 0.02 . 2 . . . . 20 LEU HB2 . 16051 1
229 . 1 1 20 20 LEU HB3 H 1 1.56 0.02 . 2 . . . . 20 LEU HB3 . 16051 1
230 . 1 1 20 20 LEU HD11 H 1 0.59 0.02 . 2 . . . . 20 LEU HD1 . 16051 1
231 . 1 1 20 20 LEU HD12 H 1 0.59 0.02 . 2 . . . . 20 LEU HD1 . 16051 1
232 . 1 1 20 20 LEU HD13 H 1 0.59 0.02 . 2 . . . . 20 LEU HD1 . 16051 1
233 . 1 1 20 20 LEU HD21 H 1 0.59 0.02 . 2 . . . . 20 LEU HD2 . 16051 1
234 . 1 1 20 20 LEU HD22 H 1 0.59 0.02 . 2 . . . . 20 LEU HD2 . 16051 1
235 . 1 1 20 20 LEU HD23 H 1 0.59 0.02 . 2 . . . . 20 LEU HD2 . 16051 1
236 . 1 1 20 20 LEU C C 13 174.8 0.2 . 1 . . . . 20 LEU C . 16051 1
237 . 1 1 20 20 LEU CA C 13 54.2 0.2 . 1 . . . . 20 LEU CA . 16051 1
238 . 1 1 20 20 LEU CB C 13 46.3 0.2 . 1 . . . . 20 LEU CB . 16051 1
239 . 1 1 20 20 LEU CD1 C 13 26.0 0.02 . 2 . . . . 20 LEU CD1 . 16051 1
240 . 1 1 20 20 LEU CD2 C 13 26.0 0.02 . 2 . . . . 20 LEU CD2 . 16051 1
241 . 1 1 20 20 LEU N N 15 121.8 0.2 . 1 . . . . 20 LEU N . 16051 1
242 . 1 1 21 21 LYS H H 1 8.55 0.02 . 1 . . . . 21 LYS H . 16051 1
243 . 1 1 21 21 LYS HA H 1 5.45 0.02 . 1 . . . . 21 LYS HA . 16051 1
244 . 1 1 21 21 LYS HB2 H 1 1.62 0.02 . 2 . . . . 21 LYS HB2 . 16051 1
245 . 1 1 21 21 LYS HB3 H 1 1.62 0.02 . 2 . . . . 21 LYS HB3 . 16051 1
246 . 1 1 21 21 LYS HD2 H 1 1.45 0.02 . 2 . . . . 21 LYS HD2 . 16051 1
247 . 1 1 21 21 LYS HD3 H 1 1.65 0.02 . 2 . . . . 21 LYS HD3 . 16051 1
248 . 1 1 21 21 LYS HE2 H 1 2.85 0.02 . 2 . . . . 21 LYS HE2 . 16051 1
249 . 1 1 21 21 LYS HE3 H 1 2.83 0.02 . 2 . . . . 21 LYS HE3 . 16051 1
250 . 1 1 21 21 LYS HG2 H 1 1.18 0.02 . 2 . . . . 21 LYS HG2 . 16051 1
251 . 1 1 21 21 LYS HG3 H 1 1.18 0.02 . 2 . . . . 21 LYS HG3 . 16051 1
252 . 1 1 21 21 LYS C C 13 174.8 0.2 . 1 . . . . 21 LYS C . 16051 1
253 . 1 1 21 21 LYS CA C 13 55.35 0.2 . 1 . . . . 21 LYS CA . 16051 1
254 . 1 1 21 21 LYS CB C 13 34.3 0.2 . 1 . . . . 21 LYS CB . 16051 1
255 . 1 1 21 21 LYS CD C 13 29.9 0.2 . 1 . . . . 21 LYS CD . 16051 1
256 . 1 1 21 21 LYS CE C 13 42 0.2 . 1 . . . . 21 LYS CE . 16051 1
257 . 1 1 21 21 LYS CG C 13 26.9 0.2 . 1 . . . . 21 LYS CG . 16051 1
258 . 1 1 21 21 LYS N N 15 122.5 0.2 . 1 . . . . 21 LYS N . 16051 1
259 . 1 1 22 22 ALA H H 1 9.09 0.02 . 1 . . . . 22 ALA H . 16051 1
260 . 1 1 22 22 ALA HA H 1 4.83 0.02 . 1 . . . . 22 ALA HA . 16051 1
261 . 1 1 22 22 ALA HB1 H 1 1.17 0.02 . 1 . . . . 22 ALA HB . 16051 1
262 . 1 1 22 22 ALA HB2 H 1 1.17 0.02 . 1 . . . . 22 ALA HB . 16051 1
263 . 1 1 22 22 ALA HB3 H 1 1.17 0.02 . 1 . . . . 22 ALA HB . 16051 1
264 . 1 1 22 22 ALA C C 13 173.8 0.2 . 1 . . . . 22 ALA C . 16051 1
265 . 1 1 22 22 ALA CA C 13 51.3 0.2 . 1 . . . . 22 ALA CA . 16051 1
266 . 1 1 22 22 ALA CB C 13 24.7 0.2 . 1 . . . . 22 ALA CB . 16051 1
267 . 1 1 22 22 ALA N N 15 123.2 0.2 . 1 . . . . 22 ALA N . 16051 1
268 . 1 1 23 23 LYS H H 1 9.19 0.02 . 1 . . . . 23 LYS H . 16051 1
269 . 1 1 23 23 LYS HA H 1 5.08 0.02 . 1 . . . . 23 LYS HA . 16051 1
270 . 1 1 23 23 LYS HB2 H 1 1.4 0.02 . 2 . . . . 23 LYS HB2 . 16051 1
271 . 1 1 23 23 LYS HB3 H 1 1.65 0.02 . 2 . . . . 23 LYS HB3 . 16051 1
272 . 1 1 23 23 LYS HE2 H 1 2.83 0.02 . 2 . . . . 23 LYS HE2 . 16051 1
273 . 1 1 23 23 LYS HE3 H 1 2.96 0.02 . 2 . . . . 23 LYS HE3 . 16051 1
274 . 1 1 23 23 LYS HG2 H 1 1.40 0.02 . 2 . . . . 23 LYS HG2 . 16051 1
275 . 1 1 23 23 LYS HG3 H 1 1.65 0.02 . 2 . . . . 23 LYS HG3 . 16051 1
276 . 1 1 23 23 LYS C C 13 176.9 0.2 . 1 . . . . 23 LYS C . 16051 1
277 . 1 1 23 23 LYS CA C 13 54.1 0.2 . 1 . . . . 23 LYS CA . 16051 1
278 . 1 1 23 23 LYS CB C 13 35.8 0.2 . 1 . . . . 23 LYS CB . 16051 1
279 . 1 1 23 23 LYS CG C 13 35.7 0.2 . 1 . . . . 23 LYS CG . 16051 1
280 . 1 1 23 23 LYS N N 15 121.1 0.2 . 1 . . . . 23 LYS N . 16051 1
281 . 1 1 24 24 VAL H H 1 8.62 0.02 . 1 . . . . 24 VAL H . 16051 1
282 . 1 1 24 24 VAL HA H 1 4.11 0.02 . 1 . . . . 24 VAL HA . 16051 1
283 . 1 1 24 24 VAL HB H 1 2.49 0.02 . 1 . . . . 24 VAL HB . 16051 1
284 . 1 1 24 24 VAL HG11 H 1 0.72 0.02 . 2 . . . . 24 VAL HG1 . 16051 1
285 . 1 1 24 24 VAL HG12 H 1 0.72 0.02 . 2 . . . . 24 VAL HG1 . 16051 1
286 . 1 1 24 24 VAL HG13 H 1 0.72 0.02 . 2 . . . . 24 VAL HG1 . 16051 1
287 . 1 1 24 24 VAL HG21 H 1 0.75 0.02 . 2 . . . . 24 VAL HG2 . 16051 1
288 . 1 1 24 24 VAL HG22 H 1 0.75 0.02 . 2 . . . . 24 VAL HG2 . 16051 1
289 . 1 1 24 24 VAL HG23 H 1 0.75 0.02 . 2 . . . . 24 VAL HG2 . 16051 1
290 . 1 1 24 24 VAL C C 13 175.8 0.2 . 1 . . . . 24 VAL C . 16051 1
291 . 1 1 24 24 VAL CA C 13 62.75 0.2 . 1 . . . . 24 VAL CA . 16051 1
292 . 1 1 24 24 VAL CB C 13 30.5 0.2 . 1 . . . . 24 VAL CB . 16051 1
293 . 1 1 24 24 VAL CG1 C 13 21.8 0.02 . 2 . . . . 24 VAL CG1 . 16051 1
294 . 1 1 24 24 VAL CG2 C 13 22.8 0.02 . 2 . . . . 24 VAL CG2 . 16051 1
295 . 1 1 24 24 VAL N N 15 125.6 0.2 . 1 . . . . 24 VAL N . 16051 1
296 . 1 1 25 25 ILE H H 1 8.43 0.02 . 1 . . . . 25 ILE H . 16051 1
297 . 1 1 25 25 ILE HA H 1 4.21 0.02 . 1 . . . . 25 ILE HA . 16051 1
298 . 1 1 25 25 ILE HB H 1 1.79 0.02 . 1 . . . . 25 ILE HB . 16051 1
299 . 1 1 25 25 ILE HD11 H 1 0.72 0.02 . 1 . . . . 25 ILE HD1 . 16051 1
300 . 1 1 25 25 ILE HD12 H 1 0.72 0.02 . 1 . . . . 25 ILE HD1 . 16051 1
301 . 1 1 25 25 ILE HD13 H 1 0.72 0.02 . 1 . . . . 25 ILE HD1 . 16051 1
302 . 1 1 25 25 ILE HG12 H 1 1.03 0.02 . 2 . . . . 25 ILE HG12 . 16051 1
303 . 1 1 25 25 ILE HG13 H 1 1.29 0.02 . 2 . . . . 25 ILE HG13 . 16051 1
304 . 1 1 25 25 ILE HG21 H 1 0.85 0.02 . 1 . . . . 25 ILE HG2 . 16051 1
305 . 1 1 25 25 ILE HG22 H 1 0.85 0.02 . 1 . . . . 25 ILE HG2 . 16051 1
306 . 1 1 25 25 ILE HG23 H 1 0.85 0.02 . 1 . . . . 25 ILE HG2 . 16051 1
307 . 1 1 25 25 ILE C C 13 176.7 0.2 . 1 . . . . 25 ILE C . 16051 1
308 . 1 1 25 25 ILE CA C 13 62.1 0.2 . 1 . . . . 25 ILE CA . 16051 1
309 . 1 1 25 25 ILE CB C 13 38.3 0.2 . 1 . . . . 25 ILE CB . 16051 1
310 . 1 1 25 25 ILE CD1 C 13 13 0.2 . 1 . . . . 25 ILE CD1 . 16051 1
311 . 1 1 25 25 ILE CG1 C 13 26.9 0.2 . 1 . . . . 25 ILE CG1 . 16051 1
312 . 1 1 25 25 ILE CG2 C 13 17.9 0.2 . 1 . . . . 25 ILE CG2 . 16051 1
313 . 1 1 25 25 ILE N N 15 127.4 0.2 . 1 . . . . 25 ILE N . 16051 1
314 . 1 1 26 26 GLN H H 1 7.59 0.02 . 1 . . . . 26 GLN H . 16051 1
315 . 1 1 26 26 GLN HA H 1 4.56 0.02 . 1 . . . . 26 GLN HA . 16051 1
316 . 1 1 26 26 GLN HB2 H 1 1.88 0.02 . 2 . . . . 26 GLN HB2 . 16051 1
317 . 1 1 26 26 GLN HB3 H 1 1.88 0.02 . 2 . . . . 26 GLN HB3 . 16051 1
318 . 1 1 26 26 GLN HE21 H 1 7.69 0.02 . 2 . . . . 26 GLN HE21 . 16051 1
319 . 1 1 26 26 GLN HE22 H 1 6.95 0.02 . 2 . . . . 26 GLN HE22 . 16051 1
320 . 1 1 26 26 GLN HG2 H 1 2.32 0.02 . 2 . . . . 26 GLN HG2 . 16051 1
321 . 1 1 26 26 GLN HG3 H 1 2.47 0.02 . 2 . . . . 26 GLN HG3 . 16051 1
322 . 1 1 26 26 GLN C C 13 173.7 0.2 . 1 . . . . 26 GLN C . 16051 1
323 . 1 1 26 26 GLN CA C 13 55.4 0.2 . 1 . . . . 26 GLN CA . 16051 1
324 . 1 1 26 26 GLN CB C 13 34.1 0.2 . 1 . . . . 26 GLN CB . 16051 1
325 . 1 1 26 26 GLN CG C 13 34.3 0.2 . 1 . . . . 26 GLN CG . 16051 1
326 . 1 1 26 26 GLN N N 15 117.1 0.2 . 1 . . . . 26 GLN N . 16051 1
327 . 1 1 26 26 GLN NE2 N 15 111.7 0.2 . 1 . . . . 26 GLN NE2 . 16051 1
328 . 1 1 27 27 LEU H H 1 8.47 0.02 . 1 . . . . 27 LEU H . 16051 1
329 . 1 1 27 27 LEU HA H 1 4.71 0.02 . 1 . . . . 27 LEU HA . 16051 1
330 . 1 1 27 27 LEU HB2 H 1 1.48 0.02 . 2 . . . . 27 LEU HB2 . 16051 1
331 . 1 1 27 27 LEU HB3 H 1 1.79 0.02 . 2 . . . . 27 LEU HB3 . 16051 1
332 . 1 1 27 27 LEU HD11 H 1 0.96 0.02 . 2 . . . . 27 LEU HD1 . 16051 1
333 . 1 1 27 27 LEU HD12 H 1 0.96 0.02 . 2 . . . . 27 LEU HD1 . 16051 1
334 . 1 1 27 27 LEU HD13 H 1 0.96 0.02 . 2 . . . . 27 LEU HD1 . 16051 1
335 . 1 1 27 27 LEU HD21 H 1 0.88 0.02 . 2 . . . . 27 LEU HD2 . 16051 1
336 . 1 1 27 27 LEU HD22 H 1 0.88 0.02 . 2 . . . . 27 LEU HD2 . 16051 1
337 . 1 1 27 27 LEU HD23 H 1 0.88 0.02 . 2 . . . . 27 LEU HD2 . 16051 1
338 . 1 1 27 27 LEU HG H 1 1.43 0.02 . 1 . . . . 27 LEU HG . 16051 1
339 . 1 1 27 27 LEU C C 13 176.2 0.2 . 1 . . . . 27 LEU C . 16051 1
340 . 1 1 27 27 LEU CA C 13 54.1 0.2 . 1 . . . . 27 LEU CA . 16051 1
341 . 1 1 27 27 LEU CB C 13 44 0.2 . 1 . . . . 27 LEU CB . 16051 1
342 . 1 1 27 27 LEU CD1 C 13 25.7 0.02 . 2 . . . . 27 LEU CD1 . 16051 1
343 . 1 1 27 27 LEU CD2 C 13 25 0.02 . 2 . . . . 27 LEU CD2 . 16051 1
344 . 1 1 27 27 LEU CG C 13 26.9 0.2 . 1 . . . . 27 LEU CG . 16051 1
345 . 1 1 27 27 LEU N N 15 123.6 0.2 . 1 . . . . 27 LEU N . 16051 1
346 . 1 1 28 28 TRP H H 1 8.85 0.02 . 1 . . . . 28 TRP H . 16051 1
347 . 1 1 28 28 TRP HA H 1 5.18 0.02 . 1 . . . . 28 TRP HA . 16051 1
348 . 1 1 28 28 TRP HB2 H 1 2.9 0.02 . 2 . . . . 28 TRP HB2 . 16051 1
349 . 1 1 28 28 TRP HB3 H 1 3.23 0.02 . 2 . . . . 28 TRP HB3 . 16051 1
350 . 1 1 28 28 TRP HD1 H 1 6.9 0.02 . 1 . . . . 28 TRP HD1 . 16051 1
351 . 1 1 28 28 TRP HE1 H 1 10.11 0.02 . 1 . . . . 28 TRP HE1 . 16051 1
352 . 1 1 28 28 TRP HE3 H 1 7.32 0.02 . 1 . . . . 28 TRP HE3 . 16051 1
353 . 1 1 28 28 TRP HH2 H 1 7.06 0.02 . 1 . . . . 28 TRP HH2 . 16051 1
354 . 1 1 28 28 TRP HZ2 H 1 7.25 0.02 . 1 . . . . 28 TRP HZ2 . 16051 1
355 . 1 1 28 28 TRP HZ3 H 1 6.77 0.02 . 1 . . . . 28 TRP HZ3 . 16051 1
356 . 1 1 28 28 TRP C C 13 175.9 0.2 . 1 . . . . 28 TRP C . 16051 1
357 . 1 1 28 28 TRP CA C 13 53.3 0.2 . 1 . . . . 28 TRP CA . 16051 1
358 . 1 1 28 28 TRP CB C 13 31.4 0.2 . 1 . . . . 28 TRP CB . 16051 1
359 . 1 1 28 28 TRP CD1 C 13 124 0.2 . 1 . . . . 28 TRP CD1 . 16051 1
360 . 1 1 28 28 TRP CE3 C 13 120.6 0.2 . 1 . . . . 28 TRP CE3 . 16051 1
361 . 1 1 28 28 TRP CH2 C 13 124.4 0.2 . 1 . . . . 28 TRP CH2 . 16051 1
362 . 1 1 28 28 TRP CZ2 C 13 114.4 0.2 . 1 . . . . 28 TRP CZ2 . 16051 1
363 . 1 1 28 28 TRP CZ3 C 13 121.2 0.2 . 1 . . . . 28 TRP CZ3 . 16051 1
364 . 1 1 28 28 TRP N N 15 123.9 0.2 . 1 . . . . 28 TRP N . 16051 1
365 . 1 1 28 28 TRP NE1 N 15 127.7 0.2 . 1 . . . . 28 TRP NE1 . 16051 1
366 . 1 1 29 29 GLU H H 1 8.62 0.02 . 1 . . . . 29 GLU H . 16051 1
367 . 1 1 29 29 GLU HA H 1 4.25 0.02 . 1 . . . . 29 GLU HA . 16051 1
368 . 1 1 29 29 GLU HB2 H 1 1.93 0.02 . 2 . . . . 29 GLU HB2 . 16051 1
369 . 1 1 29 29 GLU HB3 H 1 1.93 0.02 . 2 . . . . 29 GLU HB3 . 16051 1
370 . 1 1 29 29 GLU HG2 H 1 2.24 0.02 . 2 . . . . 29 GLU HG2 . 16051 1
371 . 1 1 29 29 GLU HG3 H 1 2.24 0.02 . 2 . . . . 29 GLU HG3 . 16051 1
372 . 1 1 29 29 GLU C C 13 175.7 0.2 . 1 . . . . 29 GLU C . 16051 1
373 . 1 1 29 29 GLU CA C 13 56.8 0.2 . 1 . . . . 29 GLU CA . 16051 1
374 . 1 1 29 29 GLU CB C 13 30 0.2 . 1 . . . . 29 GLU CB . 16051 1
375 . 1 1 29 29 GLU CG C 13 36.1 0.2 . 1 . . . . 29 GLU CG . 16051 1
376 . 1 1 29 29 GLU N N 15 120.7 0.2 . 1 . . . . 29 GLU N . 16051 1
377 . 1 1 30 30 ASN H H 1 8.72 0.02 . 1 . . . . 30 ASN H . 16051 1
378 . 1 1 30 30 ASN HA H 1 4.87 0.02 . 1 . . . . 30 ASN HA . 16051 1
379 . 1 1 30 30 ASN HB2 H 1 2.63 0.02 . 2 . . . . 30 ASN HB2 . 16051 1
380 . 1 1 30 30 ASN HB3 H 1 2.63 0.02 . 2 . . . . 30 ASN HB3 . 16051 1
381 . 1 1 30 30 ASN HD21 H 1 7.54 0.02 . 2 . . . . 30 ASN HD21 . 16051 1
382 . 1 1 30 30 ASN HD22 H 1 7.15 0.02 . 2 . . . . 30 ASN HD22 . 16051 1
383 . 1 1 30 30 ASN C C 13 174.8 0.2 . 1 . . . . 30 ASN C . 16051 1
384 . 1 1 30 30 ASN CA C 13 53.8 0.2 . 1 . . . . 30 ASN CA . 16051 1
385 . 1 1 30 30 ASN CB C 13 41.2 0.2 . 1 . . . . 30 ASN CB . 16051 1
386 . 1 1 30 30 ASN N N 15 121.4 0.2 . 1 . . . . 30 ASN N . 16051 1
387 . 1 1 30 30 ASN ND2 N 15 118.4 0.2 . 1 . . . . 30 ASN ND2 . 16051 1
388 . 1 1 31 31 THR H H 1 8.3 0.02 . 1 . . . . 31 THR H . 16051 1
389 . 1 1 31 31 THR HA H 1 4.43 0.02 . 1 . . . . 31 THR HA . 16051 1
390 . 1 1 31 31 THR HB H 1 4.42 0.02 . 1 . . . . 31 THR HB . 16051 1
391 . 1 1 31 31 THR HG21 H 1 1.09 0.02 . 1 . . . . 31 THR HG2 . 16051 1
392 . 1 1 31 31 THR HG22 H 1 1.09 0.02 . 1 . . . . 31 THR HG2 . 16051 1
393 . 1 1 31 31 THR HG23 H 1 1.09 0.02 . 1 . . . . 31 THR HG2 . 16051 1
394 . 1 1 31 31 THR C C 13 174.2 0.2 . 1 . . . . 31 THR C . 16051 1
395 . 1 1 31 31 THR CA C 13 61 0.2 . 1 . . . . 31 THR CA . 16051 1
396 . 1 1 31 31 THR CB C 13 69.6 0.2 . 1 . . . . 31 THR CB . 16051 1
397 . 1 1 31 31 THR CG2 C 13 21.3 0.2 . 1 . . . . 31 THR CG2 . 16051 1
398 . 1 1 31 31 THR N N 15 114.2 0.2 . 1 . . . . 31 THR N . 16051 1
399 . 1 1 32 32 HIS H H 1 7.84 0.02 . 1 . . . . 32 HIS H . 16051 1
400 . 1 1 32 32 HIS HA H 1 4.56 0.02 . 1 . . . . 32 HIS HA . 16051 1
401 . 1 1 32 32 HIS HB2 H 1 3.13 0.02 . 2 . . . . 32 HIS HB2 . 16051 1
402 . 1 1 32 32 HIS HB3 H 1 3.13 0.02 . 2 . . . . 32 HIS HB3 . 16051 1
403 . 1 1 32 32 HIS HD2 H 1 7.19 0.02 . 1 . . . . 32 HIS HD2 . 16051 1
404 . 1 1 32 32 HIS C C 13 177.3 0.2 . 1 . . . . 32 HIS C . 16051 1
405 . 1 1 32 32 HIS CA C 13 57.6 0.2 . 1 . . . . 32 HIS CA . 16051 1
406 . 1 1 32 32 HIS CB C 13 32 0.2 . 1 . . . . 32 HIS CB . 16051 1
407 . 1 1 32 32 HIS CD2 C 13 119.1 0.2 . 1 . . . . 32 HIS CD2 . 16051 1
408 . 1 1 32 32 HIS N N 15 122.5 0.2 . 1 . . . . 32 HIS N . 16051 1
409 . 1 1 33 33 GLU H H 1 9.02 0.02 . 1 . . . . 33 GLU H . 16051 1
410 . 1 1 33 33 GLU HA H 1 4.12 0.02 . 1 . . . . 33 GLU HA . 16051 1
411 . 1 1 33 33 GLU HB2 H 1 2.04 0.02 . 2 . . . . 33 GLU HB2 . 16051 1
412 . 1 1 33 33 GLU HB3 H 1 2.04 0.02 . 2 . . . . 33 GLU HB3 . 16051 1
413 . 1 1 33 33 GLU HG2 H 1 2.29 0.02 . 2 . . . . 33 GLU HG2 . 16051 1
414 . 1 1 33 33 GLU HG3 H 1 2.29 0.02 . 2 . . . . 33 GLU HG3 . 16051 1
415 . 1 1 33 33 GLU C C 13 177.1 0.2 . 1 . . . . 33 GLU C . 16051 1
416 . 1 1 33 33 GLU CA C 13 59 0.2 . 1 . . . . 33 GLU CA . 16051 1
417 . 1 1 33 33 GLU CB C 13 29.4 0.2 . 1 . . . . 33 GLU CB . 16051 1
418 . 1 1 33 33 GLU CG C 13 35.7 0.2 . 1 . . . . 33 GLU CG . 16051 1
419 . 1 1 33 33 GLU N N 15 127.3 0.2 . 1 . . . . 33 GLU N . 16051 1
420 . 1 1 34 34 SER H H 1 9.43 0.02 . 1 . . . . 34 SER H . 16051 1
421 . 1 1 34 34 SER HA H 1 4.58 0.02 . 1 . . . . 34 SER HA . 16051 1
422 . 1 1 34 34 SER HB2 H 1 4.14 0.02 . 2 . . . . 34 SER HB2 . 16051 1
423 . 1 1 34 34 SER HB3 H 1 4.18 0.02 . 2 . . . . 34 SER HB3 . 16051 1
424 . 1 1 34 34 SER C C 13 174.8 0.2 . 1 . . . . 34 SER C . 16051 1
425 . 1 1 34 34 SER CA C 13 59.5 0.2 . 1 . . . . 34 SER CA . 16051 1
426 . 1 1 34 34 SER CB C 13 63.6 0.2 . 1 . . . . 34 SER CB . 16051 1
427 . 1 1 34 34 SER N N 15 113.4 0.2 . 1 . . . . 34 SER N . 16051 1
428 . 1 1 35 35 ILE H H 1 7.92 0.02 . 1 . . . . 35 ILE H . 16051 1
429 . 1 1 35 35 ILE HA H 1 4.08 0.02 . 1 . . . . 35 ILE HA . 16051 1
430 . 1 1 35 35 ILE HB H 1 1.84 0.02 . 1 . . . . 35 ILE HB . 16051 1
431 . 1 1 35 35 ILE HD11 H 1 0.38 0.02 . 1 . . . . 35 ILE HD1 . 16051 1
432 . 1 1 35 35 ILE HD12 H 1 0.38 0.02 . 1 . . . . 35 ILE HD1 . 16051 1
433 . 1 1 35 35 ILE HD13 H 1 0.38 0.02 . 1 . . . . 35 ILE HD1 . 16051 1
434 . 1 1 35 35 ILE HG12 H 1 0.25 0.02 . 2 . . . . 35 ILE HG12 . 16051 1
435 . 1 1 35 35 ILE HG13 H 1 1.32 0.02 . 2 . . . . 35 ILE HG13 . 16051 1
436 . 1 1 35 35 ILE HG21 H 1 0.49 0.02 . 1 . . . . 35 ILE HG2 . 16051 1
437 . 1 1 35 35 ILE HG22 H 1 0.49 0.02 . 1 . . . . 35 ILE HG2 . 16051 1
438 . 1 1 35 35 ILE HG23 H 1 0.49 0.02 . 1 . . . . 35 ILE HG2 . 16051 1
439 . 1 1 35 35 ILE C C 13 174.3 0.2 . 1 . . . . 35 ILE C . 16051 1
440 . 1 1 35 35 ILE CA C 13 61.6 0.2 . 1 . . . . 35 ILE CA . 16051 1
441 . 1 1 35 35 ILE CB C 13 40.7 0.2 . 1 . . . . 35 ILE CB . 16051 1
442 . 1 1 35 35 ILE CD1 C 13 12.5 0.2 . 1 . . . . 35 ILE CD1 . 16051 1
443 . 1 1 35 35 ILE CG1 C 13 28.5 0.2 . 1 . . . . 35 ILE CG1 . 16051 1
444 . 1 1 35 35 ILE CG2 C 13 17.7 0.2 . 1 . . . . 35 ILE CG2 . 16051 1
445 . 1 1 35 35 ILE N N 15 125.8 0.2 . 1 . . . . 35 ILE N . 16051 1
446 . 1 1 36 36 SER H H 1 9.01 0.02 . 1 . . . . 36 SER H . 16051 1
447 . 1 1 36 36 SER HA H 1 4.48 0.02 . 1 . . . . 36 SER HA . 16051 1
448 . 1 1 36 36 SER HB2 H 1 3.56 0.02 . 2 . . . . 36 SER HB2 . 16051 1
449 . 1 1 36 36 SER HB3 H 1 3.56 0.02 . 2 . . . . 36 SER HB3 . 16051 1
450 . 1 1 36 36 SER C C 13 174.9 0.2 . 1 . . . . 36 SER C . 16051 1
451 . 1 1 36 36 SER CA C 13 58.8 0.2 . 1 . . . . 36 SER CA . 16051 1
452 . 1 1 36 36 SER CB C 13 64.3 0.2 . 1 . . . . 36 SER CB . 16051 1
453 . 1 1 36 36 SER N N 15 119.1 0.2 . 1 . . . . 36 SER N . 16051 1
454 . 1 1 37 37 GLN H H 1 7.39 0.02 . 1 . . . . 37 GLN H . 16051 1
455 . 1 1 37 37 GLN HA H 1 4.69 0.02 . 1 . . . . 37 GLN HA . 16051 1
456 . 1 1 37 37 GLN HB2 H 1 1.81 0.02 . 2 . . . . 37 GLN HB2 . 16051 1
457 . 1 1 37 37 GLN HB3 H 1 1.81 0.02 . 2 . . . . 37 GLN HB3 . 16051 1
458 . 1 1 37 37 GLN HE21 H 1 7.88 0.02 . 2 . . . . 37 GLN HE21 . 16051 1
459 . 1 1 37 37 GLN HE22 H 1 7.67 0.02 . 2 . . . . 37 GLN HE22 . 16051 1
460 . 1 1 37 37 GLN HG2 H 1 2.31 0.02 . 2 . . . . 37 GLN HG2 . 16051 1
461 . 1 1 37 37 GLN HG3 H 1 2.31 0.02 . 2 . . . . 37 GLN HG3 . 16051 1
462 . 1 1 37 37 GLN C C 13 171.8 0.2 . 1 . . . . 37 GLN C . 16051 1
463 . 1 1 37 37 GLN CA C 13 54.9 0.2 . 1 . . . . 37 GLN CA . 16051 1
464 . 1 1 37 37 GLN CB C 13 36.2 0.2 . 1 . . . . 37 GLN CB . 16051 1
465 . 1 1 37 37 GLN N N 15 116.5 0.2 . 1 . . . . 37 GLN N . 16051 1
466 . 1 1 37 37 GLN NE2 N 15 113.7 0.2 . 1 . . . . 37 GLN NE2 . 16051 1
467 . 1 1 38 38 VAL H H 1 8.64 0.02 . 1 . . . . 38 VAL H . 16051 1
468 . 1 1 38 38 VAL HA H 1 4.16 0.02 . 1 . . . . 38 VAL HA . 16051 1
469 . 1 1 38 38 VAL HB H 1 1.74 0.02 . 1 . . . . 38 VAL HB . 16051 1
470 . 1 1 38 38 VAL HG11 H 1 0.86 0.02 . 2 . . . . 38 VAL HG1 . 16051 1
471 . 1 1 38 38 VAL HG12 H 1 0.86 0.02 . 2 . . . . 38 VAL HG1 . 16051 1
472 . 1 1 38 38 VAL HG13 H 1 0.86 0.02 . 2 . . . . 38 VAL HG1 . 16051 1
473 . 1 1 38 38 VAL HG21 H 1 0.86 0.02 . 2 . . . . 38 VAL HG2 . 16051 1
474 . 1 1 38 38 VAL HG22 H 1 0.86 0.02 . 2 . . . . 38 VAL HG2 . 16051 1
475 . 1 1 38 38 VAL HG23 H 1 0.86 0.02 . 2 . . . . 38 VAL HG2 . 16051 1
476 . 1 1 38 38 VAL C C 13 172.4 0.2 . 1 . . . . 38 VAL C . 16051 1
477 . 1 1 38 38 VAL CA C 13 58.5 0.2 . 1 . . . . 38 VAL CA . 16051 1
478 . 1 1 38 38 VAL CB C 13 35.3 0.2 . 1 . . . . 38 VAL CB . 16051 1
479 . 1 1 38 38 VAL CG1 C 13 21.2 0.02 . 2 . . . . 38 VAL CG1 . 16051 1
480 . 1 1 38 38 VAL CG2 C 13 21.2 0.02 . 2 . . . . 38 VAL CG2 . 16051 1
481 . 1 1 38 38 VAL N N 15 120.4 0.2 . 1 . . . . 38 VAL N . 16051 1
482 . 1 1 39 39 GLY H H 1 6.44 0.02 . 1 . . . . 39 GLY H . 16051 1
483 . 1 1 39 39 GLY HA2 H 1 3.69 0.02 . 2 . . . . 39 GLY HA2 . 16051 1
484 . 1 1 39 39 GLY HA3 H 1 1.94 0.02 . 2 . . . . 39 GLY HA3 . 16051 1
485 . 1 1 39 39 GLY C C 13 170.6 0.2 . 1 . . . . 39 GLY C . 16051 1
486 . 1 1 39 39 GLY CA C 13 45.3 0.2 . 1 . . . . 39 GLY CA . 16051 1
487 . 1 1 39 39 GLY N N 15 109.6 0.2 . 1 . . . . 39 GLY N . 16051 1
488 . 1 1 40 40 LEU H H 1 8.38 0.02 . 1 . . . . 40 LEU H . 16051 1
489 . 1 1 40 40 LEU HA H 1 4.98 0.02 . 1 . . . . 40 LEU HA . 16051 1
490 . 1 1 40 40 LEU HB2 H 1 1.23 0.02 . 2 . . . . 40 LEU HB2 . 16051 1
491 . 1 1 40 40 LEU HB3 H 1 1.34 0.02 . 2 . . . . 40 LEU HB3 . 16051 1
492 . 1 1 40 40 LEU HD11 H 1 0.73 0.02 . 2 . . . . 40 LEU HD1 . 16051 1
493 . 1 1 40 40 LEU HD12 H 1 0.73 0.02 . 2 . . . . 40 LEU HD1 . 16051 1
494 . 1 1 40 40 LEU HD13 H 1 0.73 0.02 . 2 . . . . 40 LEU HD1 . 16051 1
495 . 1 1 40 40 LEU HD21 H 1 0.90 0.02 . 2 . . . . 40 LEU HD2 . 16051 1
496 . 1 1 40 40 LEU HD22 H 1 0.90 0.02 . 2 . . . . 40 LEU HD2 . 16051 1
497 . 1 1 40 40 LEU HD23 H 1 0.90 0.02 . 2 . . . . 40 LEU HD2 . 16051 1
498 . 1 1 40 40 LEU C C 13 176.0 0.2 . 1 . . . . 40 LEU C . 16051 1
499 . 1 1 40 40 LEU CA C 13 53.2 0.2 . 1 . . . . 40 LEU CA . 16051 1
500 . 1 1 40 40 LEU CB C 13 47.4 0.2 . 1 . . . . 40 LEU CB . 16051 1
501 . 1 1 40 40 LEU CD1 C 13 23.4 0.02 . 2 . . . . 40 LEU CD1 . 16051 1
502 . 1 1 40 40 LEU CD2 C 13 25.3 0.02 . 2 . . . . 40 LEU CD2 . 16051 1
503 . 1 1 40 40 LEU N N 15 119.5 0.2 . 1 . . . . 40 LEU N . 16051 1
504 . 1 1 41 41 LEU H H 1 9.41 0.02 . 1 . . . . 41 LEU H . 16051 1
505 . 1 1 41 41 LEU HA H 1 5.32 0.02 . 1 . . . . 41 LEU HA . 16051 1
506 . 1 1 41 41 LEU HB2 H 1 1.17 0.02 . 2 . . . . 41 LEU HB2 . 16051 1
507 . 1 1 41 41 LEU HB3 H 1 1.69 0.02 . 2 . . . . 41 LEU HB3 . 16051 1
508 . 1 1 41 41 LEU HD11 H 1 0.29 0.02 . 2 . . . . 41 LEU HD1 . 16051 1
509 . 1 1 41 41 LEU HD12 H 1 0.29 0.02 . 2 . . . . 41 LEU HD1 . 16051 1
510 . 1 1 41 41 LEU HD13 H 1 0.29 0.02 . 2 . . . . 41 LEU HD1 . 16051 1
511 . 1 1 41 41 LEU HD21 H 1 0.06 0.02 . 2 . . . . 41 LEU HD2 . 16051 1
512 . 1 1 41 41 LEU HD22 H 1 0.06 0.02 . 2 . . . . 41 LEU HD2 . 16051 1
513 . 1 1 41 41 LEU HD23 H 1 0.06 0.02 . 2 . . . . 41 LEU HD2 . 16051 1
514 . 1 1 41 41 LEU HG H 1 1.60 0.02 . 2 . . . . 41 LEU HG . 16051 1
515 . 1 1 41 41 LEU C C 13 176.7 0.2 . 1 . . . . 41 LEU C . 16051 1
516 . 1 1 41 41 LEU CA C 13 52.4 0.2 . 1 . . . . 41 LEU CA . 16051 1
517 . 1 1 41 41 LEU CB C 13 44.9 0.2 . 1 . . . . 41 LEU CB . 16051 1
518 . 1 1 41 41 LEU CD1 C 13 25.9 0.02 . 2 . . . . 41 LEU CD1 . 16051 1
519 . 1 1 41 41 LEU CD2 C 13 22.4 0.02 . 2 . . . . 41 LEU CD2 . 16051 1
520 . 1 1 41 41 LEU CG C 13 25.9 0.2 . 1 . . . . 41 LEU CG . 16051 1
521 . 1 1 41 41 LEU N N 15 122.7 0.2 . 1 . . . . 41 LEU N . 16051 1
522 . 1 1 42 42 GLY H H 1 9.21 0.02 . 1 . . . . 42 GLY H . 16051 1
523 . 1 1 42 42 GLY HA2 H 1 3.55 0.02 . 2 . . . . 42 GLY HA2 . 16051 1
524 . 1 1 42 42 GLY HA3 H 1 5.35 0.02 . 2 . . . . 42 GLY HA3 . 16051 1
525 . 1 1 42 42 GLY C C 13 171.2 0.2 . 1 . . . . 42 GLY C . 16051 1
526 . 1 1 42 42 GLY CA C 13 45.7 0.2 . 1 . . . . 42 GLY CA . 16051 1
527 . 1 1 42 42 GLY N N 15 104.6 0.2 . 1 . . . . 42 GLY N . 16051 1
528 . 1 1 43 43 ASP H H 1 8.96 0.02 . 1 . . . . 43 ASP H . 16051 1
529 . 1 1 43 43 ASP HA H 1 4.64 0.02 . 1 . . . . 43 ASP HA . 16051 1
530 . 1 1 43 43 ASP HB2 H 1 3.04 0.02 . 2 . . . . 43 ASP HB2 . 16051 1
531 . 1 1 43 43 ASP HB3 H 1 3.24 0.02 . 2 . . . . 43 ASP HB3 . 16051 1
532 . 1 1 43 43 ASP C C 13 175.6 0.2 . 1 . . . . 43 ASP C . 16051 1
533 . 1 1 43 43 ASP CA C 13 52.7 0.2 . 1 . . . . 43 ASP CA . 16051 1
534 . 1 1 43 43 ASP CB C 13 41.6 0.2 . 1 . . . . 43 ASP CB . 16051 1
535 . 1 1 43 43 ASP N N 15 121.9 0.2 . 1 . . . . 43 ASP N . 16051 1
536 . 1 1 44 44 GLU H H 1 10.15 0.02 . 1 . . . . 44 GLU H . 16051 1
537 . 1 1 44 44 GLU HA H 1 4.38 0.02 . 1 . . . . 44 GLU HA . 16051 1
538 . 1 1 44 44 GLU HB2 H 1 2.04 0.02 . 2 . . . . 44 GLU HB2 . 16051 1
539 . 1 1 44 44 GLU HB3 H 1 2.17 0.02 . 2 . . . . 44 GLU HB3 . 16051 1
540 . 1 1 44 44 GLU HG2 H 1 2.3 0.02 . 2 . . . . 44 GLU HG2 . 16051 1
541 . 1 1 44 44 GLU HG3 H 1 2.57 0.02 . 2 . . . . 44 GLU HG3 . 16051 1
542 . 1 1 44 44 GLU C C 13 176.9 0.2 . 1 . . . . 44 GLU C . 16051 1
543 . 1 1 44 44 GLU CA C 13 59.3 0.2 . 1 . . . . 44 GLU CA . 16051 1
544 . 1 1 44 44 GLU CB C 13 28.1 0.2 . 1 . . . . 44 GLU CB . 16051 1
545 . 1 1 44 44 GLU CG C 13 35.7 0.2 . 1 . . . . 44 GLU CG . 16051 1
546 . 1 1 44 44 GLU N N 15 118 0.2 . 1 . . . . 44 GLU N . 16051 1
547 . 1 1 45 45 THR H H 1 9.6 0.02 . 1 . . . . 45 THR H . 16051 1
548 . 1 1 45 45 THR HA H 1 4.58 0.02 . 1 . . . . 45 THR HA . 16051 1
549 . 1 1 45 45 THR HB H 1 4.2 0.02 . 1 . . . . 45 THR HB . 16051 1
550 . 1 1 45 45 THR HG21 H 1 1.11 0.02 . 1 . . . . 45 THR HG2 . 16051 1
551 . 1 1 45 45 THR HG22 H 1 1.11 0.02 . 1 . . . . 45 THR HG2 . 16051 1
552 . 1 1 45 45 THR HG23 H 1 1.11 0.02 . 1 . . . . 45 THR HG2 . 16051 1
553 . 1 1 45 45 THR C C 13 174.8 0.2 . 1 . . . . 45 THR C . 16051 1
554 . 1 1 45 45 THR CA C 13 61.7 0.2 . 1 . . . . 45 THR CA . 16051 1
555 . 1 1 45 45 THR CB C 13 70 0.2 . 1 . . . . 45 THR CB . 16051 1
556 . 1 1 45 45 THR CG2 C 13 23 0.2 . 1 . . . . 45 THR CG2 . 16051 1
557 . 1 1 45 45 THR N N 15 112 0.2 . 1 . . . . 45 THR N . 16051 1
558 . 1 1 46 46 GLY H H 1 7.64 0.02 . 1 . . . . 46 GLY H . 16051 1
559 . 1 1 46 46 GLY HA2 H 1 3.83 0.02 . 2 . . . . 46 GLY HA2 . 16051 1
560 . 1 1 46 46 GLY HA3 H 1 4 0.02 . 2 . . . . 46 GLY HA3 . 16051 1
561 . 1 1 46 46 GLY C C 13 169.4 0.2 . 1 . . . . 46 GLY C . 16051 1
562 . 1 1 46 46 GLY CA C 13 46 0.2 . 1 . . . . 46 GLY CA . 16051 1
563 . 1 1 46 46 GLY N N 15 110.6 0.2 . 1 . . . . 46 GLY N . 16051 1
564 . 1 1 47 47 ILE H H 1 8 0.02 . 1 . . . . 47 ILE H . 16051 1
565 . 1 1 47 47 ILE HA H 1 5.45 0.02 . 1 . . . . 47 ILE HA . 16051 1
566 . 1 1 47 47 ILE HB H 1 1.71 0.02 . 1 . . . . 47 ILE HB . 16051 1
567 . 1 1 47 47 ILE HD11 H 1 0.79 0.02 . 1 . . . . 47 ILE HD1 . 16051 1
568 . 1 1 47 47 ILE HD12 H 1 0.79 0.02 . 1 . . . . 47 ILE HD1 . 16051 1
569 . 1 1 47 47 ILE HD13 H 1 0.79 0.02 . 1 . . . . 47 ILE HD1 . 16051 1
570 . 1 1 47 47 ILE HG12 H 1 1.18 0.02 . 2 . . . . 47 ILE HG12 . 16051 1
571 . 1 1 47 47 ILE HG13 H 1 1.46 0.02 . 2 . . . . 47 ILE HG13 . 16051 1
572 . 1 1 47 47 ILE HG21 H 1 0.85 0.02 . 1 . . . . 47 ILE HG2 . 16051 1
573 . 1 1 47 47 ILE HG22 H 1 0.85 0.02 . 1 . . . . 47 ILE HG2 . 16051 1
574 . 1 1 47 47 ILE HG23 H 1 0.85 0.02 . 1 . . . . 47 ILE HG2 . 16051 1
575 . 1 1 47 47 ILE C C 13 175.2 0.2 . 1 . . . . 47 ILE C . 16051 1
576 . 1 1 47 47 ILE CA C 13 59.1 0.2 . 1 . . . . 47 ILE CA . 16051 1
577 . 1 1 47 47 ILE CB C 13 42.4 0.2 . 1 . . . . 47 ILE CB . 16051 1
578 . 1 1 47 47 ILE CD1 C 13 13.9 0.2 . 1 . . . . 47 ILE CD1 . 16051 1
579 . 1 1 47 47 ILE CG1 C 13 26.7 0.2 . 1 . . . . 47 ILE CG1 . 16051 1
580 . 1 1 47 47 ILE CG2 C 13 18.7 0.2 . 1 . . . . 47 ILE CG2 . 16051 1
581 . 1 1 47 47 ILE N N 15 113.9 0.2 . 1 . . . . 47 ILE N . 16051 1
582 . 1 1 48 48 ILE H H 1 9.34 0.02 . 1 . . . . 48 ILE H . 16051 1
583 . 1 1 48 48 ILE HA H 1 4.64 0.02 . 1 . . . . 48 ILE HA . 16051 1
584 . 1 1 48 48 ILE HB H 1 1.66 0.02 . 1 . . . . 48 ILE HB . 16051 1
585 . 1 1 48 48 ILE HD11 H 1 0.8 0.02 . 1 . . . . 48 ILE HD1 . 16051 1
586 . 1 1 48 48 ILE HD12 H 1 0.8 0.02 . 1 . . . . 48 ILE HD1 . 16051 1
587 . 1 1 48 48 ILE HD13 H 1 0.8 0.02 . 1 . . . . 48 ILE HD1 . 16051 1
588 . 1 1 48 48 ILE HG12 H 1 1.7 0.02 . 2 . . . . 48 ILE HG12 . 16051 1
589 . 1 1 48 48 ILE HG13 H 1 1.88 0.02 . 2 . . . . 48 ILE HG13 . 16051 1
590 . 1 1 48 48 ILE HG21 H 1 0.67 0.02 . 1 . . . . 48 ILE HG2 . 16051 1
591 . 1 1 48 48 ILE HG22 H 1 0.67 0.02 . 1 . . . . 48 ILE HG2 . 16051 1
592 . 1 1 48 48 ILE HG23 H 1 0.67 0.02 . 1 . . . . 48 ILE HG2 . 16051 1
593 . 1 1 48 48 ILE C C 13 171.5 0.2 . 1 . . . . 48 ILE C . 16051 1
594 . 1 1 48 48 ILE CA C 13 60.6 0.2 . 1 . . . . 48 ILE CA . 16051 1
595 . 1 1 48 48 ILE CB C 13 42 0.2 . 1 . . . . 48 ILE CB . 16051 1
596 . 1 1 48 48 ILE CD1 C 13 15.6 0.2 . 1 . . . . 48 ILE CD1 . 16051 1
597 . 1 1 48 48 ILE CG1 C 13 29.4 0.2 . 1 . . . . 48 ILE CG1 . 16051 1
598 . 1 1 48 48 ILE CG2 C 13 15.6 0.2 . 1 . . . . 48 ILE CG2 . 16051 1
599 . 1 1 48 48 ILE N N 15 123.6 0.2 . 1 . . . . 48 ILE N . 16051 1
600 . 1 1 49 49 LYS H H 1 8.35 0.02 . 1 . . . . 49 LYS H . 16051 1
601 . 1 1 49 49 LYS HA H 1 4.82 0.02 . 1 . . . . 49 LYS HA . 16051 1
602 . 1 1 49 49 LYS HB2 H 1 1.51 0.02 . 2 . . . . 49 LYS HB2 . 16051 1
603 . 1 1 49 49 LYS HB3 H 1 1.72 0.02 . 2 . . . . 49 LYS HB3 . 16051 1
604 . 1 1 49 49 LYS HD2 H 1 0.90 0.02 . 2 . . . . 49 LYS HD2 . 16051 1
605 . 1 1 49 49 LYS HD3 H 1 1.29 0.02 . 2 . . . . 49 LYS HD3 . 16051 1
606 . 1 1 49 49 LYS HE2 H 1 2.41 0.02 . 2 . . . . 49 LYS HE2 . 16051 1
607 . 1 1 49 49 LYS HE3 H 1 2.62 0.02 . 2 . . . . 49 LYS HE3 . 16051 1
608 . 1 1 49 49 LYS HG2 H 1 0.96 0.02 . 2 . . . . 49 LYS HG2 . 16051 1
609 . 1 1 49 49 LYS HG3 H 1 1.17 0.02 . 2 . . . . 49 LYS HG3 . 16051 1
610 . 1 1 49 49 LYS C C 13 174.7 0.2 . 1 . . . . 49 LYS C . 16051 1
611 . 1 1 49 49 LYS CA C 13 56.4 0.2 . 1 . . . . 49 LYS CA . 16051 1
612 . 1 1 49 49 LYS CB C 13 33.8 0.2 . 1 . . . . 49 LYS CB . 16051 1
613 . 1 1 49 49 LYS CD C 13 29.9 0.2 . 1 . . . . 49 LYS CD . 16051 1
614 . 1 1 49 49 LYS CE C 13 42.6 0.2 . 1 . . . . 49 LYS CE . 16051 1
615 . 1 1 49 49 LYS CG C 13 25.5 0.2 . 1 . . . . 49 LYS CG . 16051 1
616 . 1 1 49 49 LYS N N 15 129.1 0.2 . 1 . . . . 49 LYS N . 16051 1
617 . 1 1 50 50 PHE H H 1 8.57 0.02 . 1 . . . . 50 PHE H . 16051 1
618 . 1 1 50 50 PHE HA H 1 5.82 0.02 . 1 . . . . 50 PHE HA . 16051 1
619 . 1 1 50 50 PHE HB2 H 1 2.42 0.02 . 2 . . . . 50 PHE HB2 . 16051 1
620 . 1 1 50 50 PHE HB3 H 1 2.56 0.02 . 2 . . . . 50 PHE HB3 . 16051 1
621 . 1 1 50 50 PHE HD1 H 1 6.59 0.02 . 3 . . . . 50 PHE HD1 . 16051 1
622 . 1 1 50 50 PHE HD2 H 1 6.59 0.02 . 3 . . . . 50 PHE HD2 . 16051 1
623 . 1 1 50 50 PHE HE1 H 1 6.73 0.02 . 3 . . . . 50 PHE HE1 . 16051 1
624 . 1 1 50 50 PHE HE2 H 1 6.73 0.02 . 3 . . . . 50 PHE HE2 . 16051 1
625 . 1 1 50 50 PHE HZ H 1 6.6 0.02 . 1 . . . . 50 PHE HZ . 16051 1
626 . 1 1 50 50 PHE C C 13 172.1 0.2 . 1 . . . . 50 PHE C . 16051 1
627 . 1 1 50 50 PHE CA C 13 54.8 0.2 . 1 . . . . 50 PHE CA . 16051 1
628 . 1 1 50 50 PHE CB C 13 43.9 0.2 . 1 . . . . 50 PHE CB . 16051 1
629 . 1 1 50 50 PHE CD1 C 13 131.7 0.02 . 3 . . . . 50 PHE CD1 . 16051 1
630 . 1 1 50 50 PHE CD2 C 13 131.7 0.02 . 3 . . . . 50 PHE CD2 . 16051 1
631 . 1 1 50 50 PHE CE1 C 13 129.8 0.02 . 3 . . . . 50 PHE CE1 . 16051 1
632 . 1 1 50 50 PHE CE2 C 13 129.8 0.02 . 3 . . . . 50 PHE CE2 . 16051 1
633 . 1 1 50 50 PHE CZ C 13 128.6 0.2 . 1 . . . . 50 PHE CZ . 16051 1
634 . 1 1 50 50 PHE N N 15 122.7 0.2 . 1 . . . . 50 PHE N . 16051 1
635 . 1 1 51 51 THR H H 1 8.19 0.02 . 1 . . . . 51 THR H . 16051 1
636 . 1 1 51 51 THR HA H 1 4.32 0.02 . 1 . . . . 51 THR HA . 16051 1
637 . 1 1 51 51 THR HB H 1 3.39 0.02 . 1 . . . . 51 THR HB . 16051 1
638 . 1 1 51 51 THR HG21 H 1 0.17 0.02 . 1 . . . . 51 THR HG2 . 16051 1
639 . 1 1 51 51 THR HG22 H 1 0.17 0.02 . 1 . . . . 51 THR HG2 . 16051 1
640 . 1 1 51 51 THR HG23 H 1 0.17 0.02 . 1 . . . . 51 THR HG2 . 16051 1
641 . 1 1 51 51 THR C C 13 172.9 0.2 . 1 . . . . 51 THR C . 16051 1
642 . 1 1 51 51 THR CA C 13 61.7 0.2 . 1 . . . . 51 THR CA . 16051 1
643 . 1 1 51 51 THR CB C 13 72.5 0.2 . 1 . . . . 51 THR CB . 16051 1
644 . 1 1 51 51 THR CG2 C 13 21.3 0.2 . 1 . . . . 51 THR CG2 . 16051 1
645 . 1 1 51 51 THR N N 15 114.4 0.2 . 1 . . . . 51 THR N . 16051 1
646 . 1 1 52 52 ILE H H 1 8.88 0.02 . 1 . . . . 52 ILE H . 16051 1
647 . 1 1 52 52 ILE HA H 1 4.65 0.02 . 1 . . . . 52 ILE HA . 16051 1
648 . 1 1 52 52 ILE HB H 1 1.76 0.02 . 1 . . . . 52 ILE HB . 16051 1
649 . 1 1 52 52 ILE HD11 H 1 0.77 0.02 . 1 . . . . 52 ILE HD1 . 16051 1
650 . 1 1 52 52 ILE HD12 H 1 0.77 0.02 . 1 . . . . 52 ILE HD1 . 16051 1
651 . 1 1 52 52 ILE HD13 H 1 0.77 0.02 . 1 . . . . 52 ILE HD1 . 16051 1
652 . 1 1 52 52 ILE HG12 H 1 1.65 0.02 . 2 . . . . 52 ILE HG12 . 16051 1
653 . 1 1 52 52 ILE HG13 H 1 1.74 0.02 . 2 . . . . 52 ILE HG13 . 16051 1
654 . 1 1 52 52 ILE HG21 H 1 0.89 0.02 . 1 . . . . 52 ILE HG2 . 16051 1
655 . 1 1 52 52 ILE HG22 H 1 0.89 0.02 . 1 . . . . 52 ILE HG2 . 16051 1
656 . 1 1 52 52 ILE HG23 H 1 0.89 0.02 . 1 . . . . 52 ILE HG2 . 16051 1
657 . 1 1 52 52 ILE C C 13 176.0 0.2 . 1 . . . . 52 ILE C . 16051 1
658 . 1 1 52 52 ILE CA C 13 60.5 0.2 . 1 . . . . 52 ILE CA . 16051 1
659 . 1 1 52 52 ILE CB C 13 38.9 0.2 . 1 . . . . 52 ILE CB . 16051 1
660 . 1 1 52 52 ILE CD1 C 13 13.2 0.2 . 1 . . . . 52 ILE CD1 . 16051 1
661 . 1 1 52 52 ILE CG1 C 13 26.7 0.2 . 1 . . . . 52 ILE CG1 . 16051 1
662 . 1 1 52 52 ILE CG2 C 13 16.8 0.2 . 1 . . . . 52 ILE CG2 . 16051 1
663 . 1 1 52 52 ILE N N 15 123.4 0.2 . 1 . . . . 52 ILE N . 16051 1
664 . 1 1 53 53 TRP H H 1 8.02 0.02 . 1 . . . . 53 TRP H . 16051 1
665 . 1 1 53 53 TRP HA H 1 4.74 0.02 . 1 . . . . 53 TRP HA . 16051 1
666 . 1 1 53 53 TRP HB2 H 1 3.14 0.02 . 2 . . . . 53 TRP HB2 . 16051 1
667 . 1 1 53 53 TRP HB3 H 1 3.69 0.02 . 2 . . . . 53 TRP HB3 . 16051 1
668 . 1 1 53 53 TRP HD1 H 1 7.19 0.02 . 1 . . . . 53 TRP HD1 . 16051 1
669 . 1 1 53 53 TRP HE1 H 1 10.1 0.02 . 1 . . . . 53 TRP HE1 . 16051 1
670 . 1 1 53 53 TRP HE3 H 1 7.69 0.02 . 1 . . . . 53 TRP HE3 . 16051 1
671 . 1 1 53 53 TRP HH2 H 1 7.05 0.02 . 1 . . . . 53 TRP HH2 . 16051 1
672 . 1 1 53 53 TRP HZ2 H 1 7.29 0.02 . 1 . . . . 53 TRP HZ2 . 16051 1
673 . 1 1 53 53 TRP HZ3 H 1 6.88 0.02 . 1 . . . . 53 TRP HZ3 . 16051 1
674 . 1 1 53 53 TRP C C 13 177.5 0.2 . 1 . . . . 53 TRP C . 16051 1
675 . 1 1 53 53 TRP CA C 13 57.7 0.2 . 1 . . . . 53 TRP CA . 16051 1
676 . 1 1 53 53 TRP CB C 13 30.4 0.2 . 1 . . . . 53 TRP CB . 16051 1
677 . 1 1 53 53 TRP CD1 C 13 127.4 0.2 . 1 . . . . 53 TRP CD1 . 16051 1
678 . 1 1 53 53 TRP CE3 C 13 121.1 0.2 . 1 . . . . 53 TRP CE3 . 16051 1
679 . 1 1 53 53 TRP CH2 C 13 124.6 0.2 . 1 . . . . 53 TRP CH2 . 16051 1
680 . 1 1 53 53 TRP CZ2 C 13 114.4 0.2 . 1 . . . . 53 TRP CZ2 . 16051 1
681 . 1 1 53 53 TRP CZ3 C 13 122.4 0.2 . 1 . . . . 53 TRP CZ3 . 16051 1
682 . 1 1 53 53 TRP N N 15 129.5 0.2 . 1 . . . . 53 TRP N . 16051 1
683 . 1 1 53 53 TRP NE1 N 15 128.5 0.2 . 1 . . . . 53 TRP NE1 . 16051 1
684 . 1 1 54 54 LYS H H 1 8.98 0.02 . 1 . . . . 54 LYS H . 16051 1
685 . 1 1 54 54 LYS HA H 1 4.10 0.02 . 1 . . . . 54 LYS HA . 16051 1
686 . 1 1 54 54 LYS HB2 H 1 1.58 0.02 . 2 . . . . 54 LYS HB2 . 16051 1
687 . 1 1 54 54 LYS HB3 H 1 1.82 0.02 . 2 . . . . 54 LYS HB3 . 16051 1
688 . 1 1 54 54 LYS HD2 H 1 1.66 0.02 . 2 . . . . 54 LYS HD2 . 16051 1
689 . 1 1 54 54 LYS HD3 H 1 1.71 0.02 . 2 . . . . 54 LYS HD3 . 16051 1
690 . 1 1 54 54 LYS HE2 H 1 2.93 0.02 . 2 . . . . 54 LYS HE2 . 16051 1
691 . 1 1 54 54 LYS HE3 H 1 2.97 0.02 . 2 . . . . 54 LYS HE3 . 16051 1
692 . 1 1 54 54 LYS HG2 H 1 1.34 0.02 . 2 . . . . 54 LYS HG2 . 16051 1
693 . 1 1 54 54 LYS HG3 H 1 1.41 0.02 . 2 . . . . 54 LYS HG3 . 16051 1
694 . 1 1 54 54 LYS C C 13 177.7 0.2 . 1 . . . . 54 LYS C . 16051 1
695 . 1 1 54 54 LYS CA C 13 59.4 0.2 . 1 . . . . 54 LYS CA . 16051 1
696 . 1 1 54 54 LYS CB C 13 32.4 0.2 . 1 . . . . 54 LYS CB . 16051 1
697 . 1 1 54 54 LYS CD C 13 29.1 0.2 . 1 . . . . 54 LYS CD . 16051 1
698 . 1 1 54 54 LYS CE C 13 41.8 0.2 . 1 . . . . 54 LYS CE . 16051 1
699 . 1 1 54 54 LYS CG C 13 25.4 0.2 . 1 . . . . 54 LYS CG . 16051 1
700 . 1 1 54 54 LYS N N 15 125.5 0.2 . 1 . . . . 54 LYS N . 16051 1
701 . 1 1 55 55 ASN H H 1 8.6 0.02 . 1 . . . . 55 ASN H . 16051 1
702 . 1 1 55 55 ASN HA H 1 4.51 0.02 . 1 . . . . 55 ASN HA . 16051 1
703 . 1 1 55 55 ASN HB2 H 1 2.8 0.02 . 2 . . . . 55 ASN HB2 . 16051 1
704 . 1 1 55 55 ASN HB3 H 1 3.11 0.02 . 2 . . . . 55 ASN HB3 . 16051 1
705 . 1 1 55 55 ASN HD21 H 1 7.46 0.02 . 2 . . . . 55 ASN HD21 . 16051 1
706 . 1 1 55 55 ASN HD22 H 1 6.62 0.02 . 2 . . . . 55 ASN HD22 . 16051 1
707 . 1 1 55 55 ASN C C 13 175.3 0.2 . 1 . . . . 55 ASN C . 16051 1
708 . 1 1 55 55 ASN CA C 13 53.7 0.2 . 1 . . . . 55 ASN CA . 16051 1
709 . 1 1 55 55 ASN CB C 13 37.1 0.2 . 1 . . . . 55 ASN CB . 16051 1
710 . 1 1 55 55 ASN N N 15 115.4 0.2 . 1 . . . . 55 ASN N . 16051 1
711 . 1 1 55 55 ASN ND2 N 15 109.4 0.2 . 1 . . . . 55 ASN ND2 . 16051 1
712 . 1 1 56 56 ALA H H 1 7.63 0.02 . 1 . . . . 56 ALA H . 16051 1
713 . 1 1 56 56 ALA HA H 1 3.97 0.02 . 1 . . . . 56 ALA HA . 16051 1
714 . 1 1 56 56 ALA HB1 H 1 1.33 0.02 . 1 . . . . 56 ALA HB . 16051 1
715 . 1 1 56 56 ALA HB2 H 1 1.33 0.02 . 1 . . . . 56 ALA HB . 16051 1
716 . 1 1 56 56 ALA HB3 H 1 1.33 0.02 . 1 . . . . 56 ALA HB . 16051 1
717 . 1 1 56 56 ALA C C 13 176.1 0.2 . 1 . . . . 56 ALA C . 16051 1
718 . 1 1 56 56 ALA CA C 13 53.5 0.2 . 1 . . . . 56 ALA CA . 16051 1
719 . 1 1 56 56 ALA CB C 13 18.4 0.2 . 1 . . . . 56 ALA CB . 16051 1
720 . 1 1 56 56 ALA N N 15 121.2 0.2 . 1 . . . . 56 ALA N . 16051 1
721 . 1 1 57 57 GLU H H 1 7.88 0.02 . 1 . . . . 57 GLU H . 16051 1
722 . 1 1 57 57 GLU HA H 1 3.94 0.02 . 1 . . . . 57 GLU HA . 16051 1
723 . 1 1 57 57 GLU HB2 H 1 2.08 0.02 . 2 . . . . 57 GLU HB2 . 16051 1
724 . 1 1 57 57 GLU HB3 H 1 2.08 0.02 . 2 . . . . 57 GLU HB3 . 16051 1
725 . 1 1 57 57 GLU HG2 H 1 2.16 0.02 . 2 . . . . 57 GLU HG2 . 16051 1
726 . 1 1 57 57 GLU HG3 H 1 2.16 0.02 . 2 . . . . 57 GLU HG3 . 16051 1
727 . 1 1 57 57 GLU C C 13 175.4 0.2 . 1 . . . . 57 GLU C . 16051 1
728 . 1 1 57 57 GLU CA C 13 56.7 0.2 . 1 . . . . 57 GLU CA . 16051 1
729 . 1 1 57 57 GLU CB C 13 27.3 0.2 . 1 . . . . 57 GLU CB . 16051 1
730 . 1 1 57 57 GLU CG C 13 36.3 0.2 . 1 . . . . 57 GLU CG . 16051 1
731 . 1 1 57 57 GLU N N 15 112.5 0.2 . 1 . . . . 57 GLU N . 16051 1
732 . 1 1 58 58 LEU H H 1 7.91 0.02 . 1 . . . . 58 LEU H . 16051 1
733 . 1 1 58 58 LEU HA H 1 4.74 0.02 . 1 . . . . 58 LEU HA . 16051 1
734 . 1 1 58 58 LEU HB2 H 1 1.33 0.02 . 2 . . . . 58 LEU HB2 . 16051 1
735 . 1 1 58 58 LEU HB3 H 1 1.33 0.02 . 2 . . . . 58 LEU HB3 . 16051 1
736 . 1 1 58 58 LEU HD11 H 1 0.65 0.02 . 2 . . . . 58 LEU HD1 . 16051 1
737 . 1 1 58 58 LEU HD12 H 1 0.65 0.02 . 2 . . . . 58 LEU HD1 . 16051 1
738 . 1 1 58 58 LEU HD13 H 1 0.65 0.02 . 2 . . . . 58 LEU HD1 . 16051 1
739 . 1 1 58 58 LEU HD21 H 1 0.9 0.02 . 2 . . . . 58 LEU HD2 . 16051 1
740 . 1 1 58 58 LEU HD22 H 1 0.9 0.02 . 2 . . . . 58 LEU HD2 . 16051 1
741 . 1 1 58 58 LEU HD23 H 1 0.9 0.02 . 2 . . . . 58 LEU HD2 . 16051 1
742 . 1 1 58 58 LEU HG H 1 1.5 0.02 . 1 . . . . 58 LEU HG . 16051 1
743 . 1 1 58 58 LEU C C 13 175.4 0.2 . 1 . . . . 58 LEU C . 16051 1
744 . 1 1 58 58 LEU CA C 13 52.3 0.2 . 1 . . . . 58 LEU CA . 16051 1
745 . 1 1 58 58 LEU CB C 13 42.9 0.2 . 1 . . . . 58 LEU CB . 16051 1
746 . 1 1 58 58 LEU CD1 C 13 26.9 0.02 . 2 . . . . 58 LEU CD1 . 16051 1
747 . 1 1 58 58 LEU CD2 C 13 23.3 0.02 . 2 . . . . 58 LEU CD2 . 16051 1
748 . 1 1 58 58 LEU CG C 13 26.3 0.2 . 1 . . . . 58 LEU CG . 16051 1
749 . 1 1 58 58 LEU N N 15 120 0.2 . 1 . . . . 58 LEU N . 16051 1
750 . 1 1 59 59 PRO HA H 1 4.38 0.02 . 1 . . . . 59 PRO HA . 16051 1
751 . 1 1 59 59 PRO HB2 H 1 1.73 0.02 . 2 . . . . 59 PRO HB2 . 16051 1
752 . 1 1 59 59 PRO HB3 H 1 2.25 0.02 . 2 . . . . 59 PRO HB3 . 16051 1
753 . 1 1 59 59 PRO HD2 H 1 3.43 0.02 . 2 . . . . 59 PRO HD2 . 16051 1
754 . 1 1 59 59 PRO HD3 H 1 3.78 0.02 . 2 . . . . 59 PRO HD3 . 16051 1
755 . 1 1 59 59 PRO HG2 H 1 1.88 0.02 . 2 . . . . 59 PRO HG2 . 16051 1
756 . 1 1 59 59 PRO HG3 H 1 1.96 0.02 . 2 . . . . 59 PRO HG3 . 16051 1
757 . 1 1 59 59 PRO CA C 13 62.2 0.2 . 1 . . . . 59 PRO CA . 16051 1
758 . 1 1 59 59 PRO CB C 13 32 0.2 . 1 . . . . 59 PRO CB . 16051 1
759 . 1 1 59 59 PRO CD C 13 50.6 0.2 . 1 . . . . 59 PRO CD . 16051 1
760 . 1 1 59 59 PRO CG C 13 27.3 0.2 . 1 . . . . 59 PRO CG . 16051 1
761 . 1 1 60 60 LEU H H 1 7.86 0.02 . 1 . . . . 60 LEU H . 16051 1
762 . 1 1 60 60 LEU HA H 1 3.92 0.02 . 1 . . . . 60 LEU HA . 16051 1
763 . 1 1 60 60 LEU HB2 H 1 1.29 0.02 . 2 . . . . 60 LEU HB2 . 16051 1
764 . 1 1 60 60 LEU HB3 H 1 1.54 0.02 . 2 . . . . 60 LEU HB3 . 16051 1
765 . 1 1 60 60 LEU HD11 H 1 0.88 0.02 . 2 . . . . 60 LEU HD1 . 16051 1
766 . 1 1 60 60 LEU HD12 H 1 0.88 0.02 . 2 . . . . 60 LEU HD1 . 16051 1
767 . 1 1 60 60 LEU HD13 H 1 0.88 0.02 . 2 . . . . 60 LEU HD1 . 16051 1
768 . 1 1 60 60 LEU HD21 H 1 0.75 0.02 . 2 . . . . 60 LEU HD2 . 16051 1
769 . 1 1 60 60 LEU HD22 H 1 0.75 0.02 . 2 . . . . 60 LEU HD2 . 16051 1
770 . 1 1 60 60 LEU HD23 H 1 0.75 0.02 . 2 . . . . 60 LEU HD2 . 16051 1
771 . 1 1 60 60 LEU HG H 1 1.67 0.02 . 1 . . . . 60 LEU HG . 16051 1
772 . 1 1 60 60 LEU C C 13 178.3 0.2 . 1 . . . . 60 LEU C . 16051 1
773 . 1 1 60 60 LEU CA C 13 55 0.2 . 1 . . . . 60 LEU CA . 16051 1
774 . 1 1 60 60 LEU CB C 13 41.8 0.2 . 1 . . . . 60 LEU CB . 16051 1
775 . 1 1 60 60 LEU CD1 C 13 25.5 0.02 . 2 . . . . 60 LEU CD1 . 16051 1
776 . 1 1 60 60 LEU CD2 C 13 22.7 0.02 . 2 . . . . 60 LEU CD2 . 16051 1
777 . 1 1 60 60 LEU CG C 13 27.1 0.2 . 1 . . . . 60 LEU CG . 16051 1
778 . 1 1 60 60 LEU N N 15 117.5 0.2 . 1 . . . . 60 LEU N . 16051 1
779 . 1 1 61 61 LEU H H 1 9.68 0.02 . 1 . . . . 61 LEU H . 16051 1
780 . 1 1 61 61 LEU HA H 1 4.04 0.02 . 1 . . . . 61 LEU HA . 16051 1
781 . 1 1 61 61 LEU HB2 H 1 0.96 0.02 . 2 . . . . 61 LEU HB2 . 16051 1
782 . 1 1 61 61 LEU HB3 H 1 1.3 0.02 . 2 . . . . 61 LEU HB3 . 16051 1
783 . 1 1 61 61 LEU HD11 H 1 -0.38 0.02 . 2 . . . . 61 LEU HD1 . 16051 1
784 . 1 1 61 61 LEU HD12 H 1 -0.38 0.02 . 2 . . . . 61 LEU HD1 . 16051 1
785 . 1 1 61 61 LEU HD13 H 1 -0.38 0.02 . 2 . . . . 61 LEU HD1 . 16051 1
786 . 1 1 61 61 LEU HD21 H 1 -0.13 0.02 . 2 . . . . 61 LEU HD2 . 16051 1
787 . 1 1 61 61 LEU HD22 H 1 -0.13 0.02 . 2 . . . . 61 LEU HD2 . 16051 1
788 . 1 1 61 61 LEU HD23 H 1 -0.13 0.02 . 2 . . . . 61 LEU HD2 . 16051 1
789 . 1 1 61 61 LEU HG H 1 1.27 0.02 . 1 . . . . 61 LEU HG . 16051 1
790 . 1 1 61 61 LEU C C 13 177.3 0.2 . 1 . . . . 61 LEU C . 16051 1
791 . 1 1 61 61 LEU CA C 13 54.1 0.2 . 1 . . . . 61 LEU CA . 16051 1
792 . 1 1 61 61 LEU CB C 13 41.3 0.2 . 1 . . . . 61 LEU CB . 16051 1
793 . 1 1 61 61 LEU CD1 C 13 20.8 0.02 . 2 . . . . 61 LEU CD1 . 16051 1
794 . 1 1 61 61 LEU CD2 C 13 25.0 0.02 . 2 . . . . 61 LEU CD2 . 16051 1
795 . 1 1 61 61 LEU CG C 13 26.1 0.2 . 1 . . . . 61 LEU CG . 16051 1
796 . 1 1 61 61 LEU N N 15 122.3 0.2 . 1 . . . . 61 LEU N . 16051 1
797 . 1 1 62 62 GLU H H 1 8.39 0.02 . 1 . . . . 62 GLU H . 16051 1
798 . 1 1 62 62 GLU HA H 1 4.43 0.02 . 1 . . . . 62 GLU HA . 16051 1
799 . 1 1 62 62 GLU HB2 H 1 1.81 0.02 . 2 . . . . 62 GLU HB2 . 16051 1
800 . 1 1 62 62 GLU HB3 H 1 1.99 0.02 . 2 . . . . 62 GLU HB3 . 16051 1
801 . 1 1 62 62 GLU HG2 H 1 2.16 0.02 . 2 . . . . 62 GLU HG2 . 16051 1
802 . 1 1 62 62 GLU HG3 H 1 2.16 0.02 . 2 . . . . 62 GLU HG3 . 16051 1
803 . 1 1 62 62 GLU C C 13 175.6 0.2 . 1 . . . . 62 GLU C . 16051 1
804 . 1 1 62 62 GLU CA C 13 54.8 0.2 . 1 . . . . 62 GLU CA . 16051 1
805 . 1 1 62 62 GLU CB C 13 32.2 0.2 . 1 . . . . 62 GLU CB . 16051 1
806 . 1 1 62 62 GLU CG C 13 36.3 0.2 . 1 . . . . 62 GLU CG . 16051 1
807 . 1 1 62 62 GLU N N 15 120.5 0.2 . 1 . . . . 62 GLU N . 16051 1
808 . 1 1 63 63 GLN H H 1 8.78 0.02 . 1 . . . . 63 GLN H . 16051 1
809 . 1 1 63 63 GLN HA H 1 3.7 0.02 . 1 . . . . 63 GLN HA . 16051 1
810 . 1 1 63 63 GLN HB2 H 1 2 0.02 . 2 . . . . 63 GLN HB2 . 16051 1
811 . 1 1 63 63 GLN HB3 H 1 2 0.02 . 2 . . . . 63 GLN HB3 . 16051 1
812 . 1 1 63 63 GLN HE21 H 1 7.42 0.02 . 2 . . . . 63 GLN HE21 . 16051 1
813 . 1 1 63 63 GLN HE22 H 1 6.88 0.02 . 2 . . . . 63 GLN HE22 . 16051 1
814 . 1 1 63 63 GLN HG2 H 1 2.06 0.02 . 2 . . . . 63 GLN HG2 . 16051 1
815 . 1 1 63 63 GLN HG3 H 1 2.33 0.02 . 2 . . . . 63 GLN HG3 . 16051 1
816 . 1 1 63 63 GLN C C 13 176.6 0.2 . 1 . . . . 63 GLN C . 16051 1
817 . 1 1 63 63 GLN CA C 13 58.1 0.2 . 1 . . . . 63 GLN CA . 16051 1
818 . 1 1 63 63 GLN CB C 13 28.3 0.2 . 1 . . . . 63 GLN CB . 16051 1
819 . 1 1 63 63 GLN CG C 13 34 0.2 . 1 . . . . 63 GLN CG . 16051 1
820 . 1 1 63 63 GLN N N 15 123.3 0.2 . 1 . . . . 63 GLN N . 16051 1
821 . 1 1 63 63 GLN NE2 N 15 111.4 0.2 . 1 . . . . 63 GLN NE2 . 16051 1
822 . 1 1 64 64 GLY H H 1 9.14 0.02 . 1 . . . . 64 GLY H . 16051 1
823 . 1 1 64 64 GLY HA2 H 1 3.58 0.02 . 2 . . . . 64 GLY HA2 . 16051 1
824 . 1 1 64 64 GLY HA3 H 1 4.39 0.02 . 2 . . . . 64 GLY HA3 . 16051 1
825 . 1 1 64 64 GLY C C 13 173.9 0.2 . 1 . . . . 64 GLY C . 16051 1
826 . 1 1 64 64 GLY CA C 13 45.3 0.2 . 1 . . . . 64 GLY CA . 16051 1
827 . 1 1 64 64 GLY N N 15 115.1 0.2 . 1 . . . . 64 GLY N . 16051 1
828 . 1 1 65 65 GLU H H 1 7.59 0.02 . 1 . . . . 65 GLU H . 16051 1
829 . 1 1 65 65 GLU HA H 1 4.49 0.02 . 1 . . . . 65 GLU HA . 16051 1
830 . 1 1 65 65 GLU HB2 H 1 1.76 0.02 . 2 . . . . 65 GLU HB2 . 16051 1
831 . 1 1 65 65 GLU HB3 H 1 2.22 0.02 . 2 . . . . 65 GLU HB3 . 16051 1
832 . 1 1 65 65 GLU HG2 H 1 1.99 0.02 . 2 . . . . 65 GLU HG2 . 16051 1
833 . 1 1 65 65 GLU HG3 H 1 2.13 0.02 . 2 . . . . 65 GLU HG3 . 16051 1
834 . 1 1 65 65 GLU C C 13 174.2 0.2 . 1 . . . . 65 GLU C . 16051 1
835 . 1 1 65 65 GLU CA C 13 54.9 0.2 . 1 . . . . 65 GLU CA . 16051 1
836 . 1 1 65 65 GLU CB C 13 30.5 0.2 . 1 . . . . 65 GLU CB . 16051 1
837 . 1 1 65 65 GLU CG C 13 36.4 0.2 . 1 . . . . 65 GLU CG . 16051 1
838 . 1 1 65 65 GLU N N 15 120.3 0.2 . 1 . . . . 65 GLU N . 16051 1
839 . 1 1 66 66 SER H H 1 8.7 0.02 . 1 . . . . 66 SER H . 16051 1
840 . 1 1 66 66 SER HA H 1 5.33 0.02 . 1 . . . . 66 SER HA . 16051 1
841 . 1 1 66 66 SER HB2 H 1 3.48 0.02 . 2 . . . . 66 SER HB2 . 16051 1
842 . 1 1 66 66 SER HB3 H 1 3.57 0.02 . 2 . . . . 66 SER HB3 . 16051 1
843 . 1 1 66 66 SER C C 13 174.1 0.2 . 1 . . . . 66 SER C . 16051 1
844 . 1 1 66 66 SER CA C 13 58.3 0.2 . 1 . . . . 66 SER CA . 16051 1
845 . 1 1 66 66 SER CB C 13 65.5 0.2 . 1 . . . . 66 SER CB . 16051 1
846 . 1 1 66 66 SER N N 15 116.5 0.2 . 1 . . . . 66 SER N . 16051 1
847 . 1 1 67 67 TYR H H 1 9.09 0.02 . 1 . . . . 67 TYR H . 16051 1
848 . 1 1 67 67 TYR HA H 1 5.11 0.02 . 1 . . . . 67 TYR HA . 16051 1
849 . 1 1 67 67 TYR HB2 H 1 2.18 0.02 . 2 . . . . 67 TYR HB2 . 16051 1
850 . 1 1 67 67 TYR HB3 H 1 2.72 0.02 . 2 . . . . 67 TYR HB3 . 16051 1
851 . 1 1 67 67 TYR HD1 H 1 6.69 0.02 . 3 . . . . 67 TYR HD1 . 16051 1
852 . 1 1 67 67 TYR HD2 H 1 6.69 0.02 . 3 . . . . 67 TYR HD2 . 16051 1
853 . 1 1 67 67 TYR HE1 H 1 6.7 0.02 . 3 . . . . 67 TYR HE1 . 16051 1
854 . 1 1 67 67 TYR HE2 H 1 6.7 0.02 . 3 . . . . 67 TYR HE2 . 16051 1
855 . 1 1 67 67 TYR C C 13 173.9 0.2 . 1 . . . . 67 TYR C . 16051 1
856 . 1 1 67 67 TYR CA C 13 57.5 0.2 . 1 . . . . 67 TYR CA . 16051 1
857 . 1 1 67 67 TYR CB C 13 43.9 0.2 . 1 . . . . 67 TYR CB . 16051 1
858 . 1 1 67 67 TYR CD1 C 13 133.4 0.02 . 3 . . . . 67 TYR CD1 . 16051 1
859 . 1 1 67 67 TYR CD2 C 13 133.4 0.02 . 3 . . . . 67 TYR CD2 . 16051 1
860 . 1 1 67 67 TYR CE1 C 13 118.1 0.02 . 3 . . . . 67 TYR CE1 . 16051 1
861 . 1 1 67 67 TYR CE2 C 13 118.1 0.02 . 3 . . . . 67 TYR CE2 . 16051 1
862 . 1 1 67 67 TYR N N 15 119 0.2 . 1 . . . . 67 TYR N . 16051 1
863 . 1 1 68 68 LEU H H 1 9.23 0.02 . 1 . . . . 68 LEU H . 16051 1
864 . 1 1 68 68 LEU HA H 1 5 0.02 . 1 . . . . 68 LEU HA . 16051 1
865 . 1 1 68 68 LEU HB2 H 1 1.35 0.02 . 2 . . . . 68 LEU HB2 . 16051 1
866 . 1 1 68 68 LEU HB3 H 1 1.85 0.02 . 2 . . . . 68 LEU HB3 . 16051 1
867 . 1 1 68 68 LEU HD11 H 1 0.68 0.02 . 2 . . . . 68 LEU HD1 . 16051 1
868 . 1 1 68 68 LEU HD12 H 1 0.68 0.02 . 2 . . . . 68 LEU HD1 . 16051 1
869 . 1 1 68 68 LEU HD13 H 1 0.68 0.02 . 2 . . . . 68 LEU HD1 . 16051 1
870 . 1 1 68 68 LEU HD21 H 1 0.77 0.02 . 2 . . . . 68 LEU HD2 . 16051 1
871 . 1 1 68 68 LEU HD22 H 1 0.77 0.02 . 2 . . . . 68 LEU HD2 . 16051 1
872 . 1 1 68 68 LEU HD23 H 1 0.77 0.02 . 2 . . . . 68 LEU HD2 . 16051 1
873 . 1 1 68 68 LEU HG H 1 1.33 0.02 . 1 . . . . 68 LEU HG . 16051 1
874 . 1 1 68 68 LEU C C 13 175.3 0.2 . 1 . . . . 68 LEU C . 16051 1
875 . 1 1 68 68 LEU CA C 13 54.3 0.2 . 1 . . . . 68 LEU CA . 16051 1
876 . 1 1 68 68 LEU CB C 13 43.8 0.2 . 1 . . . . 68 LEU CB . 16051 1
877 . 1 1 68 68 LEU CD1 C 13 23.8 0.02 . 2 . . . . 68 LEU CD1 . 16051 1
878 . 1 1 68 68 LEU CD2 C 13 26 0.02 . 2 . . . . 68 LEU CD2 . 16051 1
879 . 1 1 68 68 LEU CG C 13 28.3 0.2 . 1 . . . . 68 LEU CG . 16051 1
880 . 1 1 68 68 LEU N N 15 121.8 0.2 . 1 . . . . 68 LEU N . 16051 1
881 . 1 1 69 69 LEU H H 1 9.46 0.02 . 1 . . . . 69 LEU H . 16051 1
882 . 1 1 69 69 LEU HA H 1 5.01 0.02 . 1 . . . . 69 LEU HA . 16051 1
883 . 1 1 69 69 LEU HB2 H 1 1.16 0.02 . 2 . . . . 69 LEU HB2 . 16051 1
884 . 1 1 69 69 LEU HB3 H 1 1.66 0.02 . 2 . . . . 69 LEU HB3 . 16051 1
885 . 1 1 69 69 LEU HD11 H 1 0.58 0.02 . 2 . . . . 69 LEU HD1 . 16051 1
886 . 1 1 69 69 LEU HD12 H 1 0.58 0.02 . 2 . . . . 69 LEU HD1 . 16051 1
887 . 1 1 69 69 LEU HD13 H 1 0.58 0.02 . 2 . . . . 69 LEU HD1 . 16051 1
888 . 1 1 69 69 LEU HD21 H 1 0.44 0.02 . 2 . . . . 69 LEU HD2 . 16051 1
889 . 1 1 69 69 LEU HD22 H 1 0.44 0.02 . 2 . . . . 69 LEU HD2 . 16051 1
890 . 1 1 69 69 LEU HD23 H 1 0.44 0.02 . 2 . . . . 69 LEU HD2 . 16051 1
891 . 1 1 69 69 LEU HG H 1 1.4 0.02 . 1 . . . . 69 LEU HG . 16051 1
892 . 1 1 69 69 LEU C C 13 175.0 0.2 . 1 . . . . 69 LEU C . 16051 1
893 . 1 1 69 69 LEU CA C 13 54.1 0.2 . 1 . . . . 69 LEU CA . 16051 1
894 . 1 1 69 69 LEU CB C 13 42.3 0.2 . 1 . . . . 69 LEU CB . 16051 1
895 . 1 1 69 69 LEU CD1 C 13 26.8 0.02 . 2 . . . . 69 LEU CD1 . 16051 1
896 . 1 1 69 69 LEU CD2 C 13 26.5 0.02 . 2 . . . . 69 LEU CD2 . 16051 1
897 . 1 1 69 69 LEU CG C 13 27.9 0.2 . 1 . . . . 69 LEU CG . 16051 1
898 . 1 1 69 69 LEU N N 15 128.5 0.2 . 1 . . . . 69 LEU N . 16051 1
899 . 1 1 70 70 ARG H H 1 8.91 0.02 . 1 . . . . 70 ARG H . 16051 1
900 . 1 1 70 70 ARG HA H 1 4.85 0.02 . 1 . . . . 70 ARG HA . 16051 1
901 . 1 1 70 70 ARG HB2 H 1 1.8 0.02 . 2 . . . . 70 ARG HB2 . 16051 1
902 . 1 1 70 70 ARG HB3 H 1 1.8 0.02 . 2 . . . . 70 ARG HB3 . 16051 1
903 . 1 1 70 70 ARG HD2 H 1 3.00 0.02 . 2 . . . . 70 ARG HD2 . 16051 1
904 . 1 1 70 70 ARG HD3 H 1 3.1 0.02 . 2 . . . . 70 ARG HD3 . 16051 1
905 . 1 1 70 70 ARG HE H 1 7.32 0.02 . 1 . . . . 70 ARG HE . 16051 1
906 . 1 1 70 70 ARG HG2 H 1 1.23 0.02 . 2 . . . . 70 ARG HG2 . 16051 1
907 . 1 1 70 70 ARG HG3 H 1 1.54 0.02 . 2 . . . . 70 ARG HG3 . 16051 1
908 . 1 1 70 70 ARG C C 13 176.4 0.2 . 1 . . . . 70 ARG C . 16051 1
909 . 1 1 70 70 ARG CA C 13 54.9 0.2 . 1 . . . . 70 ARG CA . 16051 1
910 . 1 1 70 70 ARG CB C 13 32.3 0.2 . 1 . . . . 70 ARG CB . 16051 1
911 . 1 1 70 70 ARG CD C 13 43.4 0.2 . 1 . . . . 70 ARG CD . 16051 1
912 . 1 1 70 70 ARG CG C 13 29 0.2 . 1 . . . . 70 ARG CG . 16051 1
913 . 1 1 70 70 ARG N N 15 121.5 0.2 . 1 . . . . 70 ARG N . 16051 1
914 . 1 1 70 70 ARG NE N 15 84.7 0.2 . 1 . . . . 70 ARG NE . 16051 1
915 . 1 1 71 71 SER H H 1 8.8 0.02 . 1 . . . . 71 SER H . 16051 1
916 . 1 1 71 71 SER HA H 1 3.87 0.02 . 1 . . . . 71 SER HA . 16051 1
917 . 1 1 71 71 SER HB2 H 1 4.06 0.02 . 2 . . . . 71 SER HB2 . 16051 1
918 . 1 1 71 71 SER HB3 H 1 4.1 0.02 . 2 . . . . 71 SER HB3 . 16051 1
919 . 1 1 71 71 SER C C 13 175.8 0.2 . 1 . . . . 71 SER C . 16051 1
920 . 1 1 71 71 SER CA C 13 58.6 0.2 . 1 . . . . 71 SER CA . 16051 1
921 . 1 1 71 71 SER CB C 13 62 0.2 . 1 . . . . 71 SER CB . 16051 1
922 . 1 1 71 71 SER N N 15 114.4 0.2 . 1 . . . . 71 SER N . 16051 1
923 . 1 1 72 72 VAL H H 1 8.75 0.02 . 1 . . . . 72 VAL H . 16051 1
924 . 1 1 72 72 VAL HA H 1 4.61 0.02 . 1 . . . . 72 VAL HA . 16051 1
925 . 1 1 72 72 VAL HB H 1 2 0.02 . 1 . . . . 72 VAL HB . 16051 1
926 . 1 1 72 72 VAL HG11 H 1 0.72 0.02 . 2 . . . . 72 VAL HG1 . 16051 1
927 . 1 1 72 72 VAL HG12 H 1 0.72 0.02 . 2 . . . . 72 VAL HG1 . 16051 1
928 . 1 1 72 72 VAL HG13 H 1 0.72 0.02 . 2 . . . . 72 VAL HG1 . 16051 1
929 . 1 1 72 72 VAL HG21 H 1 0.55 0.02 . 2 . . . . 72 VAL HG2 . 16051 1
930 . 1 1 72 72 VAL HG22 H 1 0.55 0.02 . 2 . . . . 72 VAL HG2 . 16051 1
931 . 1 1 72 72 VAL HG23 H 1 0.55 0.02 . 2 . . . . 72 VAL HG2 . 16051 1
932 . 1 1 72 72 VAL C C 13 173.3 0.2 . 1 . . . . 72 VAL C . 16051 1
933 . 1 1 72 72 VAL CA C 13 59.3 0.2 . 1 . . . . 72 VAL CA . 16051 1
934 . 1 1 72 72 VAL CB C 13 31.9 0.2 . 1 . . . . 72 VAL CB . 16051 1
935 . 1 1 72 72 VAL CG1 C 13 23.8 0.02 . 2 . . . . 72 VAL CG1 . 16051 1
936 . 1 1 72 72 VAL CG2 C 13 18.2 0.02 . 2 . . . . 72 VAL CG2 . 16051 1
937 . 1 1 72 72 VAL N N 15 115.5 0.2 . 1 . . . . 72 VAL N . 16051 1
938 . 1 1 73 73 VAL H H 1 7.94 0.02 . 1 . . . . 73 VAL H . 16051 1
939 . 1 1 73 73 VAL HA H 1 4.76 0.02 . 1 . . . . 73 VAL HA . 16051 1
940 . 1 1 73 73 VAL HB H 1 0.42 0.02 . 1 . . . . 73 VAL HB . 16051 1
941 . 1 1 73 73 VAL HG11 H 1 0.52 0.02 . 2 . . . . 73 VAL HG1 . 16051 1
942 . 1 1 73 73 VAL HG12 H 1 0.52 0.02 . 2 . . . . 73 VAL HG1 . 16051 1
943 . 1 1 73 73 VAL HG13 H 1 0.52 0.02 . 2 . . . . 73 VAL HG1 . 16051 1
944 . 1 1 73 73 VAL HG21 H 1 0.09 0.02 . 2 . . . . 73 VAL HG2 . 16051 1
945 . 1 1 73 73 VAL HG22 H 1 0.09 0.02 . 2 . . . . 73 VAL HG2 . 16051 1
946 . 1 1 73 73 VAL HG23 H 1 0.09 0.02 . 2 . . . . 73 VAL HG2 . 16051 1
947 . 1 1 73 73 VAL C C 13 174.3 0.2 . 1 . . . . 73 VAL C . 16051 1
948 . 1 1 73 73 VAL CA C 13 58.8 0.2 . 1 . . . . 73 VAL CA . 16051 1
949 . 1 1 73 73 VAL CB C 13 34.5 0.2 . 1 . . . . 73 VAL CB . 16051 1
950 . 1 1 73 73 VAL CG1 C 13 20.1 0.02 . 2 . . . . 73 VAL CG1 . 16051 1
951 . 1 1 73 73 VAL CG2 C 13 20.9 0.02 . 2 . . . . 73 VAL CG2 . 16051 1
952 . 1 1 73 73 VAL N N 15 118.2 0.2 . 1 . . . . 73 VAL N . 16051 1
953 . 1 1 74 74 VAL H H 1 8.43 0.02 . 1 . . . . 74 VAL H . 16051 1
954 . 1 1 74 74 VAL HA H 1 4.56 0.02 . 1 . . . . 74 VAL HA . 16051 1
955 . 1 1 74 74 VAL HB H 1 2.11 0.02 . 1 . . . . 74 VAL HB . 16051 1
956 . 1 1 74 74 VAL HG11 H 1 0.68 0.02 . 2 . . . . 74 VAL HG1 . 16051 1
957 . 1 1 74 74 VAL HG12 H 1 0.68 0.02 . 2 . . . . 74 VAL HG1 . 16051 1
958 . 1 1 74 74 VAL HG13 H 1 0.68 0.02 . 2 . . . . 74 VAL HG1 . 16051 1
959 . 1 1 74 74 VAL HG21 H 1 0.77 0.02 . 2 . . . . 74 VAL HG2 . 16051 1
960 . 1 1 74 74 VAL HG22 H 1 0.77 0.02 . 2 . . . . 74 VAL HG2 . 16051 1
961 . 1 1 74 74 VAL HG23 H 1 0.77 0.02 . 2 . . . . 74 VAL HG2 . 16051 1
962 . 1 1 74 74 VAL C C 13 177.3 0.2 . 1 . . . . 74 VAL C . 16051 1
963 . 1 1 74 74 VAL CA C 13 62.1 0.2 . 1 . . . . 74 VAL CA . 16051 1
964 . 1 1 74 74 VAL CB C 13 32.7 0.2 . 1 . . . . 74 VAL CB . 16051 1
965 . 1 1 74 74 VAL CG1 C 13 22.8 0.02 . 2 . . . . 74 VAL CG1 . 16051 1
966 . 1 1 74 74 VAL CG2 C 13 21.5 0.02 . 2 . . . . 74 VAL CG2 . 16051 1
967 . 1 1 74 74 VAL N N 15 127.8 0.2 . 1 . . . . 74 VAL N . 16051 1
968 . 1 1 75 75 GLY H H 1 9.04 0.02 . 1 . . . . 75 GLY H . 16051 1
969 . 1 1 75 75 GLY HA2 H 1 3.75 0.02 . 2 . . . . 75 GLY HA2 . 16051 1
970 . 1 1 75 75 GLY HA3 H 1 5.12 0.02 . 2 . . . . 75 GLY HA3 . 16051 1
971 . 1 1 75 75 GLY C C 13 172.5 0.2 . 1 . . . . 75 GLY C . 16051 1
972 . 1 1 75 75 GLY CA C 13 43.7 0.2 . 1 . . . . 75 GLY CA . 16051 1
973 . 1 1 75 75 GLY N N 15 116 0.2 . 1 . . . . 75 GLY N . 16051 1
974 . 1 1 76 76 GLU H H 1 8.38 0.02 . 1 . . . . 76 GLU H . 16051 1
975 . 1 1 76 76 GLU HA H 1 4.69 0.02 . 1 . . . . 76 GLU HA . 16051 1
976 . 1 1 76 76 GLU HB2 H 1 1.83 0.02 . 2 . . . . 76 GLU HB2 . 16051 1
977 . 1 1 76 76 GLU HB3 H 1 1.93 0.02 . 2 . . . . 76 GLU HB3 . 16051 1
978 . 1 1 76 76 GLU HG2 H 1 2.05 0.02 . 2 . . . . 76 GLU HG2 . 16051 1
979 . 1 1 76 76 GLU HG3 H 1 2.05 0.02 . 2 . . . . 76 GLU HG3 . 16051 1
980 . 1 1 76 76 GLU C C 13 176.0 0.2 . 1 . . . . 76 GLU C . 16051 1
981 . 1 1 76 76 GLU CA C 13 56.1 0.2 . 1 . . . . 76 GLU CA . 16051 1
982 . 1 1 76 76 GLU CB C 13 32 0.2 . 1 . . . . 76 GLU CB . 16051 1
983 . 1 1 76 76 GLU CG C 13 36 0.2 . 1 . . . . 76 GLU CG . 16051 1
984 . 1 1 76 76 GLU N N 15 120.2 0.2 . 1 . . . . 76 GLU N . 16051 1
985 . 1 1 77 77 TYR H H 1 8.43 0.02 . 1 . . . . 77 TYR H . 16051 1
986 . 1 1 77 77 TYR HA H 1 4.57 0.02 . 1 . . . . 77 TYR HA . 16051 1
987 . 1 1 77 77 TYR HB2 H 1 2.59 0.02 . 2 . . . . 77 TYR HB2 . 16051 1
988 . 1 1 77 77 TYR HB3 H 1 2.7 0.02 . 2 . . . . 77 TYR HB3 . 16051 1
989 . 1 1 77 77 TYR HD1 H 1 7 0.02 . 3 . . . . 77 TYR HD1 . 16051 1
990 . 1 1 77 77 TYR HD2 H 1 7 0.02 . 3 . . . . 77 TYR HD2 . 16051 1
991 . 1 1 77 77 TYR HE1 H 1 6.8 0.02 . 3 . . . . 77 TYR HE1 . 16051 1
992 . 1 1 77 77 TYR HE2 H 1 6.8 0.02 . 3 . . . . 77 TYR HE2 . 16051 1
993 . 1 1 77 77 TYR C C 13 174.2 0.2 . 1 . . . . 77 TYR C . 16051 1
994 . 1 1 77 77 TYR CA C 13 56.5 0.2 . 1 . . . . 77 TYR CA . 16051 1
995 . 1 1 77 77 TYR CB C 13 39.8 0.2 . 1 . . . . 77 TYR CB . 16051 1
996 . 1 1 77 77 TYR CD1 C 13 132.9 0.02 . 3 . . . . 77 TYR CD1 . 16051 1
997 . 1 1 77 77 TYR CD2 C 13 132.9 0.02 . 3 . . . . 77 TYR CD2 . 16051 1
998 . 1 1 77 77 TYR CE1 C 13 118.3 0.02 . 3 . . . . 77 TYR CE1 . 16051 1
999 . 1 1 77 77 TYR CE2 C 13 118.3 0.02 . 3 . . . . 77 TYR CE2 . 16051 1
1000 . 1 1 77 77 TYR N N 15 124.4 0.2 . 1 . . . . 77 TYR N . 16051 1
1001 . 1 1 78 78 ASN H H 1 9.1 0.02 . 1 . . . . 78 ASN H . 16051 1
1002 . 1 1 78 78 ASN HA H 1 4 0.02 . 1 . . . . 78 ASN HA . 16051 1
1003 . 1 1 78 78 ASN HB2 H 1 2.39 0.02 . 2 . . . . 78 ASN HB2 . 16051 1
1004 . 1 1 78 78 ASN HB3 H 1 2.75 0.02 . 2 . . . . 78 ASN HB3 . 16051 1
1005 . 1 1 78 78 ASN HD21 H 1 7.1 0.02 . 2 . . . . 78 ASN HD21 . 16051 1
1006 . 1 1 78 78 ASN HD22 H 1 6.67 0.02 . 2 . . . . 78 ASN HD22 . 16051 1
1007 . 1 1 78 78 ASN C C 13 177.3 0.2 . 1 . . . . 78 ASN C . 16051 1
1008 . 1 1 78 78 ASN CA C 13 54.7 0.2 . 1 . . . . 78 ASN CA . 16051 1
1009 . 1 1 78 78 ASN CB C 13 36.6 0.2 . 1 . . . . 78 ASN CB . 16051 1
1010 . 1 1 78 78 ASN N N 15 125.8 0.2 . 1 . . . . 78 ASN N . 16051 1
1011 . 1 1 78 78 ASN ND2 N 15 112 0.2 . 1 . . . . 78 ASN ND2 . 16051 1
1012 . 1 1 79 79 ASP H H 1 8.64 0.02 . 1 . . . . 79 ASP H . 16051 1
1013 . 1 1 79 79 ASP HA H 1 4.24 0.02 . 1 . . . . 79 ASP HA . 16051 1
1014 . 1 1 79 79 ASP HB2 H 1 2.69 0.02 . 2 . . . . 79 ASP HB2 . 16051 1
1015 . 1 1 79 79 ASP HB3 H 1 2.79 0.02 . 2 . . . . 79 ASP HB3 . 16051 1
1016 . 1 1 79 79 ASP C C 13 174.6 0.2 . 1 . . . . 79 ASP C . 16051 1
1017 . 1 1 79 79 ASP CA C 13 54.9 0.2 . 1 . . . . 79 ASP CA . 16051 1
1018 . 1 1 79 79 ASP CB C 13 39.7 0.2 . 1 . . . . 79 ASP CB . 16051 1
1019 . 1 1 79 79 ASP N N 15 115.7 0.2 . 1 . . . . 79 ASP N . 16051 1
1020 . 1 1 80 80 ARG H H 1 7.88 0.02 . 1 . . . . 80 ARG H . 16051 1
1021 . 1 1 80 80 ARG HA H 1 4.37 0.02 . 1 . . . . 80 ARG HA . 16051 1
1022 . 1 1 80 80 ARG HB2 H 1 1.81 0.02 . 2 . . . . 80 ARG HB2 . 16051 1
1023 . 1 1 80 80 ARG HB3 H 1 1.93 0.02 . 2 . . . . 80 ARG HB3 . 16051 1
1024 . 1 1 80 80 ARG HD2 H 1 3.2 0.02 . 2 . . . . 80 ARG HD2 . 16051 1
1025 . 1 1 80 80 ARG HD3 H 1 3.2 0.02 . 2 . . . . 80 ARG HD3 . 16051 1
1026 . 1 1 80 80 ARG HE H 1 7.28 0.02 . 1 . . . . 80 ARG HE . 16051 1
1027 . 1 1 80 80 ARG HG2 H 1 1.66 0.02 . 2 . . . . 80 ARG HG2 . 16051 1
1028 . 1 1 80 80 ARG HG3 H 1 1.66 0.02 . 2 . . . . 80 ARG HG3 . 16051 1
1029 . 1 1 80 80 ARG C C 13 175.0 0.2 . 1 . . . . 80 ARG C . 16051 1
1030 . 1 1 80 80 ARG CA C 13 54.2 0.2 . 1 . . . . 80 ARG CA . 16051 1
1031 . 1 1 80 80 ARG CB C 13 31.8 0.2 . 1 . . . . 80 ARG CB . 16051 1
1032 . 1 1 80 80 ARG CD C 13 43.4 0.2 . 1 . . . . 80 ARG CD . 16051 1
1033 . 1 1 80 80 ARG CG C 13 26.3 0.2 . 1 . . . . 80 ARG CG . 16051 1
1034 . 1 1 80 80 ARG N N 15 119.7 0.2 . 1 . . . . 80 ARG N . 16051 1
1035 . 1 1 80 80 ARG NE N 15 85.4 0.2 . 1 . . . . 80 ARG NE . 16051 1
1036 . 1 1 81 81 PHE H H 1 8.41 0.02 . 1 . . . . 81 PHE H . 16051 1
1037 . 1 1 81 81 PHE HA H 1 5.42 0.02 . 1 . . . . 81 PHE HA . 16051 1
1038 . 1 1 81 81 PHE HB2 H 1 2.77 0.02 . 2 . . . . 81 PHE HB2 . 16051 1
1039 . 1 1 81 81 PHE HB3 H 1 3.06 0.02 . 2 . . . . 81 PHE HB3 . 16051 1
1040 . 1 1 81 81 PHE HD1 H 1 7.06 0.02 . 3 . . . . 81 PHE HD1 . 16051 1
1041 . 1 1 81 81 PHE HD2 H 1 7.06 0.02 . 3 . . . . 81 PHE HD2 . 16051 1
1042 . 1 1 81 81 PHE HE1 H 1 7.09 0.02 . 3 . . . . 81 PHE HE1 . 16051 1
1043 . 1 1 81 81 PHE HE2 H 1 7.09 0.02 . 3 . . . . 81 PHE HE2 . 16051 1
1044 . 1 1 81 81 PHE HZ H 1 7.05 0.02 . 1 . . . . 81 PHE HZ . 16051 1
1045 . 1 1 81 81 PHE C C 13 174.4 0.2 . 1 . . . . 81 PHE C . 16051 1
1046 . 1 1 81 81 PHE CA C 13 57.2 0.2 . 1 . . . . 81 PHE CA . 16051 1
1047 . 1 1 81 81 PHE CB C 13 42 0.2 . 1 . . . . 81 PHE CB . 16051 1
1048 . 1 1 81 81 PHE CD1 C 13 131.1 0.02 . 3 . . . . 81 PHE CD1 . 16051 1
1049 . 1 1 81 81 PHE CD2 C 13 131.1 0.02 . 3 . . . . 81 PHE CD2 . 16051 1
1050 . 1 1 81 81 PHE CE1 C 13 130.8 0.02 . 3 . . . . 81 PHE CE1 . 16051 1
1051 . 1 1 81 81 PHE CE2 C 13 130.8 0.02 . 3 . . . . 81 PHE CE2 . 16051 1
1052 . 1 1 81 81 PHE CZ C 13 129.8 0.2 . 1 . . . . 81 PHE CZ . 16051 1
1053 . 1 1 81 81 PHE N N 15 120.7 0.2 . 1 . . . . 81 PHE N . 16051 1
1054 . 1 1 82 82 GLN H H 1 8.95 0.02 . 1 . . . . 82 GLN H . 16051 1
1055 . 1 1 82 82 GLN HA H 1 5.11 0.02 . 1 . . . . 82 GLN HA . 16051 1
1056 . 1 1 82 82 GLN HB2 H 1 1.76 0.02 . 2 . . . . 82 GLN HB2 . 16051 1
1057 . 1 1 82 82 GLN HB3 H 1 1.76 0.02 . 2 . . . . 82 GLN HB3 . 16051 1
1058 . 1 1 82 82 GLN HE21 H 1 7.55 0.02 . 2 . . . . 82 GLN HE21 . 16051 1
1059 . 1 1 82 82 GLN HE22 H 1 6.82 0.02 . 2 . . . . 82 GLN HE22 . 16051 1
1060 . 1 1 82 82 GLN HG2 H 1 2.08 0.02 . 2 . . . . 82 GLN HG2 . 16051 1
1061 . 1 1 82 82 GLN HG3 H 1 2.08 0.02 . 2 . . . . 82 GLN HG3 . 16051 1
1062 . 1 1 82 82 GLN C C 13 172.4 0.2 . 1 . . . . 82 GLN C . 16051 1
1063 . 1 1 82 82 GLN CA C 13 53.5 0.2 . 1 . . . . 82 GLN CA . 16051 1
1064 . 1 1 82 82 GLN CB C 13 31.9 0.2 . 1 . . . . 82 GLN CB . 16051 1
1065 . 1 1 82 82 GLN CG C 13 31.1 0.2 . 1 . . . . 82 GLN CG . 16051 1
1066 . 1 1 82 82 GLN N N 15 115 0.2 . 1 . . . . 82 GLN N . 16051 1
1067 . 1 1 82 82 GLN NE2 N 15 111.5 0.2 . 1 . . . . 82 GLN NE2 . 16051 1
1068 . 1 1 83 83 VAL H H 1 9.09 0.02 . 1 . . . . 83 VAL H . 16051 1
1069 . 1 1 83 83 VAL HA H 1 4.38 0.02 . 1 . . . . 83 VAL HA . 16051 1
1070 . 1 1 83 83 VAL HB H 1 1.83 0.02 . 1 . . . . 83 VAL HB . 16051 1
1071 . 1 1 83 83 VAL HG11 H 1 0.66 0.02 . 2 . . . . 83 VAL HG1 . 16051 1
1072 . 1 1 83 83 VAL HG12 H 1 0.66 0.02 . 2 . . . . 83 VAL HG1 . 16051 1
1073 . 1 1 83 83 VAL HG13 H 1 0.66 0.02 . 2 . . . . 83 VAL HG1 . 16051 1
1074 . 1 1 83 83 VAL HG21 H 1 0.72 0.02 . 2 . . . . 83 VAL HG2 . 16051 1
1075 . 1 1 83 83 VAL HG22 H 1 0.72 0.02 . 2 . . . . 83 VAL HG2 . 16051 1
1076 . 1 1 83 83 VAL HG23 H 1 0.72 0.02 . 2 . . . . 83 VAL HG2 . 16051 1
1077 . 1 1 83 83 VAL C C 13 174.6 0.2 . 1 . . . . 83 VAL C . 16051 1
1078 . 1 1 83 83 VAL CA C 13 61.6 0.2 . 1 . . . . 83 VAL CA . 16051 1
1079 . 1 1 83 83 VAL CB C 13 33.5 0.2 . 1 . . . . 83 VAL CB . 16051 1
1080 . 1 1 83 83 VAL CG1 C 13 21.6 0.02 . 2 . . . . 83 VAL CG1 . 16051 1
1081 . 1 1 83 83 VAL CG2 C 13 21.6 0.02 . 2 . . . . 83 VAL CG2 . 16051 1
1082 . 1 1 83 83 VAL N N 15 118.9 0.2 . 1 . . . . 83 VAL N . 16051 1
1083 . 1 1 84 84 GLN H H 1 9.28 0.02 . 1 . . . . 84 GLN H . 16051 1
1084 . 1 1 84 84 GLN HA H 1 5.02 0.02 . 1 . . . . 84 GLN HA . 16051 1
1085 . 1 1 84 84 GLN HB2 H 1 1.84 0.02 . 2 . . . . 84 GLN HB2 . 16051 1
1086 . 1 1 84 84 GLN HB3 H 1 2.2 0.02 . 2 . . . . 84 GLN HB3 . 16051 1
1087 . 1 1 84 84 GLN HE21 H 1 7.06 0.02 . 2 . . . . 84 GLN HE21 . 16051 1
1088 . 1 1 84 84 GLN HE22 H 1 6.86 0.02 . 2 . . . . 84 GLN HE22 . 16051 1
1089 . 1 1 84 84 GLN HG2 H 1 2 0.02 . 2 . . . . 84 GLN HG2 . 16051 1
1090 . 1 1 84 84 GLN HG3 H 1 2.29 0.02 . 2 . . . . 84 GLN HG3 . 16051 1
1091 . 1 1 84 84 GLN C C 13 174.5 0.2 . 1 . . . . 84 GLN C . 16051 1
1092 . 1 1 84 84 GLN CA C 13 54.4 0.2 . 1 . . . . 84 GLN CA . 16051 1
1093 . 1 1 84 84 GLN CB C 13 29.9 0.2 . 1 . . . . 84 GLN CB . 16051 1
1094 . 1 1 84 84 GLN CG C 13 33.7 0.2 . 1 . . . . 84 GLN CG . 16051 1
1095 . 1 1 84 84 GLN N N 15 124.8 0.2 . 1 . . . . 84 GLN N . 16051 1
1096 . 1 1 84 84 GLN NE2 N 15 109.6 0.2 . 1 . . . . 84 GLN NE2 . 16051 1
1097 . 1 1 85 85 VAL H H 1 8.68 0.02 . 1 . . . . 85 VAL H . 16051 1
1098 . 1 1 85 85 VAL HA H 1 4.3 0.02 . 1 . . . . 85 VAL HA . 16051 1
1099 . 1 1 85 85 VAL HB H 1 2.26 0.02 . 1 . . . . 85 VAL HB . 16051 1
1100 . 1 1 85 85 VAL HG11 H 1 0.83 0.02 . 2 . . . . 85 VAL HG1 . 16051 1
1101 . 1 1 85 85 VAL HG12 H 1 0.83 0.02 . 2 . . . . 85 VAL HG1 . 16051 1
1102 . 1 1 85 85 VAL HG13 H 1 0.83 0.02 . 2 . . . . 85 VAL HG1 . 16051 1
1103 . 1 1 85 85 VAL HG21 H 1 0.65 0.02 . 2 . . . . 85 VAL HG2 . 16051 1
1104 . 1 1 85 85 VAL HG22 H 1 0.65 0.02 . 2 . . . . 85 VAL HG2 . 16051 1
1105 . 1 1 85 85 VAL HG23 H 1 0.65 0.02 . 2 . . . . 85 VAL HG2 . 16051 1
1106 . 1 1 85 85 VAL C C 13 174.5 0.2 . 1 . . . . 85 VAL C . 16051 1
1107 . 1 1 85 85 VAL CA C 13 61.7 0.2 . 1 . . . . 85 VAL CA . 16051 1
1108 . 1 1 85 85 VAL CB C 13 31.7 0.2 . 1 . . . . 85 VAL CB . 16051 1
1109 . 1 1 85 85 VAL CG1 C 13 22.6 0.02 . 2 . . . . 85 VAL CG1 . 16051 1
1110 . 1 1 85 85 VAL CG2 C 13 19.8 0.02 . 2 . . . . 85 VAL CG2 . 16051 1
1111 . 1 1 85 85 VAL N N 15 125.5 0.2 . 1 . . . . 85 VAL N . 16051 1
1112 . 1 1 86 86 ASN H H 1 8.74 0.02 . 1 . . . . 86 ASN H . 16051 1
1113 . 1 1 86 86 ASN HA H 1 5.24 0.02 . 1 . . . . 86 ASN HA . 16051 1
1114 . 1 1 86 86 ASN HB2 H 1 2.64 0.02 . 2 . . . . 86 ASN HB2 . 16051 1
1115 . 1 1 86 86 ASN HB3 H 1 3.33 0.02 . 2 . . . . 86 ASN HB3 . 16051 1
1116 . 1 1 86 86 ASN HD21 H 1 7.38 0.02 . 2 . . . . 86 ASN HD21 . 16051 1
1117 . 1 1 86 86 ASN HD22 H 1 6.36 0.02 . 2 . . . . 86 ASN HD22 . 16051 1
1118 . 1 1 86 86 ASN C C 13 175.3 0.2 . 1 . . . . 86 ASN C . 16051 1
1119 . 1 1 86 86 ASN CA C 13 51.8 0.2 . 1 . . . . 86 ASN CA . 16051 1
1120 . 1 1 86 86 ASN CB C 13 42.4 0.2 . 1 . . . . 86 ASN CB . 16051 1
1121 . 1 1 86 86 ASN N N 15 124 0.2 . 1 . . . . 86 ASN N . 16051 1
1122 . 1 1 86 86 ASN ND2 N 15 112.9 0.2 . 1 . . . . 86 ASN ND2 . 16051 1
1123 . 1 1 87 87 LYS H H 1 8.53 0.02 . 1 . . . . 87 LYS H . 16051 1
1124 . 1 1 87 87 LYS HA H 1 4.21 0.02 . 1 . . . . 87 LYS HA . 16051 1
1125 . 1 1 87 87 LYS HB2 H 1 1.84 0.02 . 2 . . . . 87 LYS HB2 . 16051 1
1126 . 1 1 87 87 LYS HB3 H 1 1.84 0.02 . 2 . . . . 87 LYS HB3 . 16051 1
1127 . 1 1 87 87 LYS HD2 H 1 1.65 0.02 . 2 . . . . 87 LYS HD2 . 16051 1
1128 . 1 1 87 87 LYS HD3 H 1 1.65 0.02 . 2 . . . . 87 LYS HD3 . 16051 1
1129 . 1 1 87 87 LYS HE2 H 1 2.93 0.02 . 2 . . . . 87 LYS HE2 . 16051 1
1130 . 1 1 87 87 LYS HE3 H 1 2.93 0.02 . 2 . . . . 87 LYS HE3 . 16051 1
1131 . 1 1 87 87 LYS HG2 H 1 1.45 0.02 . 2 . . . . 87 LYS HG2 . 16051 1
1132 . 1 1 87 87 LYS HG3 H 1 1.45 0.02 . 2 . . . . 87 LYS HG3 . 16051 1
1133 . 1 1 87 87 LYS C C 13 176.7 0.2 . 1 . . . . 87 LYS C . 16051 1
1134 . 1 1 87 87 LYS CA C 13 59.0 0.2 . 1 . . . . 87 LYS CA . 16051 1
1135 . 1 1 87 87 LYS CB C 13 32.4 0.2 . 1 . . . . 87 LYS CB . 16051 1
1136 . 1 1 87 87 LYS CD C 13 29.1 0.2 . 1 . . . . 87 LYS CD . 16051 1
1137 . 1 1 87 87 LYS CE C 13 42.1 0.2 . 1 . . . . 87 LYS CE . 16051 1
1138 . 1 1 87 87 LYS CG C 13 24.7 0.2 . 1 . . . . 87 LYS CG . 16051 1
1139 . 1 1 87 87 LYS N N 15 117.6 0.2 . 1 . . . . 87 LYS N . 16051 1
1140 . 1 1 88 88 ASN H H 1 8.60 0.02 . 1 . . . . 88 ASN H . 16051 1
1141 . 1 1 88 88 ASN HA H 1 4.81 0.02 . 1 . . . . 88 ASN HA . 16051 1
1142 . 1 1 88 88 ASN HB2 H 1 2.94 0.02 . 2 . . . . 88 ASN HB2 . 16051 1
1143 . 1 1 88 88 ASN HB3 H 1 3.01 0.02 . 2 . . . . 88 ASN HB3 . 16051 1
1144 . 1 1 88 88 ASN HD21 H 1 7.35 0.02 . 2 . . . . 88 ASN HD21 . 16051 1
1145 . 1 1 88 88 ASN HD22 H 1 6.97 0.02 . 2 . . . . 88 ASN HD22 . 16051 1
1146 . 1 1 88 88 ASN C C 13 175.6 0.2 . 1 . . . . 88 ASN C . 16051 1
1147 . 1 1 88 88 ASN CA C 13 54.1 0.2 . 1 . . . . 88 ASN CA . 16051 1
1148 . 1 1 88 88 ASN CB C 13 39.1 0.2 . 1 . . . . 88 ASN CB . 16051 1
1149 . 1 1 88 88 ASN N N 15 115.5 0.2 . 1 . . . . 88 ASN N . 16051 1
1150 . 1 1 88 88 ASN ND2 N 15 113.1 0.2 . 1 . . . . 88 ASN ND2 . 16051 1
1151 . 1 1 89 89 SER H H 1 8.15 0.02 . 1 . . . . 89 SER H . 16051 1
1152 . 1 1 89 89 SER HA H 1 5.12 0.02 . 1 . . . . 89 SER HA . 16051 1
1153 . 1 1 89 89 SER HB2 H 1 3.91 0.02 . 2 . . . . 89 SER HB2 . 16051 1
1154 . 1 1 89 89 SER HB3 H 1 3.97 0.02 . 2 . . . . 89 SER HB3 . 16051 1
1155 . 1 1 89 89 SER C C 13 172.4 0.2 . 1 . . . . 89 SER C . 16051 1
1156 . 1 1 89 89 SER CA C 13 58.1 0.2 . 1 . . . . 89 SER CA . 16051 1
1157 . 1 1 89 89 SER CB C 13 64 0.2 . 1 . . . . 89 SER CB . 16051 1
1158 . 1 1 89 89 SER N N 15 117.5 0.2 . 1 . . . . 89 SER N . 16051 1
1159 . 1 1 90 90 SER H H 1 8.2 0.02 . 1 . . . . 90 SER H . 16051 1
1160 . 1 1 90 90 SER HA H 1 4.68 0.02 . 1 . . . . 90 SER HA . 16051 1
1161 . 1 1 90 90 SER HB2 H 1 3.82 0.02 . 2 . . . . 90 SER HB2 . 16051 1
1162 . 1 1 90 90 SER HB3 H 1 3.82 0.02 . 2 . . . . 90 SER HB3 . 16051 1
1163 . 1 1 90 90 SER C C 13 172.4 0.2 . 1 . . . . 90 SER C . 16051 1
1164 . 1 1 90 90 SER CA C 13 57.7 0.2 . 1 . . . . 90 SER CA . 16051 1
1165 . 1 1 90 90 SER CB C 13 65.7 0.2 . 1 . . . . 90 SER CB . 16051 1
1166 . 1 1 90 90 SER N N 15 113.2 0.2 . 1 . . . . 90 SER N . 16051 1
1167 . 1 1 91 91 ILE H H 1 8.64 0.02 . 1 . . . . 91 ILE H . 16051 1
1168 . 1 1 91 91 ILE HA H 1 5.03 0.02 . 1 . . . . 91 ILE HA . 16051 1
1169 . 1 1 91 91 ILE HB H 1 1.54 0.02 . 1 . . . . 91 ILE HB . 16051 1
1170 . 1 1 91 91 ILE HD11 H 1 0.63 0.02 . 1 . . . . 91 ILE HD1 . 16051 1
1171 . 1 1 91 91 ILE HD12 H 1 0.63 0.02 . 1 . . . . 91 ILE HD1 . 16051 1
1172 . 1 1 91 91 ILE HD13 H 1 0.63 0.02 . 1 . . . . 91 ILE HD1 . 16051 1
1173 . 1 1 91 91 ILE HG12 H 1 0.85 0.02 . 2 . . . . 91 ILE HG12 . 16051 1
1174 . 1 1 91 91 ILE HG13 H 1 1.36 0.02 . 2 . . . . 91 ILE HG13 . 16051 1
1175 . 1 1 91 91 ILE HG21 H 1 0.6 0.02 . 1 . . . . 91 ILE HG2 . 16051 1
1176 . 1 1 91 91 ILE HG22 H 1 0.6 0.02 . 1 . . . . 91 ILE HG2 . 16051 1
1177 . 1 1 91 91 ILE HG23 H 1 0.6 0.02 . 1 . . . . 91 ILE HG2 . 16051 1
1178 . 1 1 91 91 ILE C C 13 175.3 0.2 . 1 . . . . 91 ILE C . 16051 1
1179 . 1 1 91 91 ILE CA C 13 60.2 0.2 . 1 . . . . 91 ILE CA . 16051 1
1180 . 1 1 91 91 ILE CB C 13 42.2 0.2 . 1 . . . . 91 ILE CB . 16051 1
1181 . 1 1 91 91 ILE CD1 C 13 14.4 0.2 . 1 . . . . 91 ILE CD1 . 16051 1
1182 . 1 1 91 91 ILE CG1 C 13 26.8 0.2 . 1 . . . . 91 ILE CG1 . 16051 1
1183 . 1 1 91 91 ILE CG2 C 13 18.7 0.2 . 1 . . . . 91 ILE CG2 . 16051 1
1184 . 1 1 91 91 ILE N N 15 119.7 0.2 . 1 . . . . 91 ILE N . 16051 1
1185 . 1 1 92 92 GLU H H 1 8.81 0.02 . 1 . . . . 92 GLU H . 16051 1
1186 . 1 1 92 92 GLU HA H 1 4.71 0.02 . 1 . . . . 92 GLU HA . 16051 1
1187 . 1 1 92 92 GLU HB2 H 1 1.97 0.02 . 2 . . . . 92 GLU HB2 . 16051 1
1188 . 1 1 92 92 GLU HB3 H 1 2.02 0.02 . 2 . . . . 92 GLU HB3 . 16051 1
1189 . 1 1 92 92 GLU HG2 H 1 2.18 0.02 . 2 . . . . 92 GLU HG2 . 16051 1
1190 . 1 1 92 92 GLU HG3 H 1 2.18 0.02 . 2 . . . . 92 GLU HG3 . 16051 1
1191 . 1 1 92 92 GLU C C 13 174.7 0.2 . 1 . . . . 92 GLU C . 16051 1
1192 . 1 1 92 92 GLU CA C 13 54.6 0.2 . 1 . . . . 92 GLU CA . 16051 1
1193 . 1 1 92 92 GLU CB C 13 33.3 0.2 . 1 . . . . 92 GLU CB . 16051 1
1194 . 1 1 92 92 GLU CG C 13 35.7 0.2 . 1 . . . . 92 GLU CG . 16051 1
1195 . 1 1 92 92 GLU N N 15 125.9 0.2 . 1 . . . . 92 GLU N . 16051 1
1196 . 1 1 93 93 LYS H H 1 9.08 0.02 . 1 . . . . 93 LYS H . 16051 1
1197 . 1 1 93 93 LYS HA H 1 4.1 0.02 . 1 . . . . 93 LYS HA . 16051 1
1198 . 1 1 93 93 LYS HB2 H 1 1.69 0.02 . 2 . . . . 93 LYS HB2 . 16051 1
1199 . 1 1 93 93 LYS HB3 H 1 1.69 0.02 . 2 . . . . 93 LYS HB3 . 16051 1
1200 . 1 1 93 93 LYS HD2 H 1 1.61 0.02 . 2 . . . . 93 LYS HD2 . 16051 1
1201 . 1 1 93 93 LYS HD3 H 1 1.61 0.02 . 2 . . . . 93 LYS HD3 . 16051 1
1202 . 1 1 93 93 LYS HE2 H 1 2.89 0.02 . 2 . . . . 93 LYS HE2 . 16051 1
1203 . 1 1 93 93 LYS HE3 H 1 2.89 0.02 . 2 . . . . 93 LYS HE3 . 16051 1
1204 . 1 1 93 93 LYS HG2 H 1 1.07 0.02 . 2 . . . . 93 LYS HG2 . 16051 1
1205 . 1 1 93 93 LYS HG3 H 1 1.32 0.02 . 2 . . . . 93 LYS HG3 . 16051 1
1206 . 1 1 93 93 LYS C C 13 176.4 0.2 . 1 . . . . 93 LYS C . 16051 1
1207 . 1 1 93 93 LYS CA C 13 57.5 0.2 . 1 . . . . 93 LYS CA . 16051 1
1208 . 1 1 93 93 LYS CB C 13 32.9 0.2 . 1 . . . . 93 LYS CB . 16051 1
1209 . 1 1 93 93 LYS CD C 13 29.2 0.2 . 1 . . . . 93 LYS CD . 16051 1
1210 . 1 1 93 93 LYS CE C 13 41.9 0.2 . 1 . . . . 93 LYS CE . 16051 1
1211 . 1 1 93 93 LYS CG C 13 25.0 0.2 . 1 . . . . 93 LYS CG . 16051 1
1212 . 1 1 93 93 LYS N N 15 127.6 0.2 . 1 . . . . 93 LYS N . 16051 1
1213 . 1 1 94 94 LEU H H 1 8.41 0.02 . 1 . . . . 94 LEU H . 16051 1
1214 . 1 1 94 94 LEU HA H 1 4.48 0.02 . 1 . . . . 94 LEU HA . 16051 1
1215 . 1 1 94 94 LEU HB2 H 1 1.3 0.02 . 2 . . . . 94 LEU HB2 . 16051 1
1216 . 1 1 94 94 LEU HB3 H 1 1.49 0.02 . 2 . . . . 94 LEU HB3 . 16051 1
1217 . 1 1 94 94 LEU HD11 H 1 0.72 0.02 . 2 . . . . 94 LEU HD1 . 16051 1
1218 . 1 1 94 94 LEU HD12 H 1 0.72 0.02 . 2 . . . . 94 LEU HD1 . 16051 1
1219 . 1 1 94 94 LEU HD13 H 1 0.72 0.02 . 2 . . . . 94 LEU HD1 . 16051 1
1220 . 1 1 94 94 LEU HD21 H 1 0.81 0.02 . 2 . . . . 94 LEU HD2 . 16051 1
1221 . 1 1 94 94 LEU HD22 H 1 0.81 0.02 . 2 . . . . 94 LEU HD2 . 16051 1
1222 . 1 1 94 94 LEU HD23 H 1 0.81 0.02 . 2 . . . . 94 LEU HD2 . 16051 1
1223 . 1 1 94 94 LEU C C 13 177.3 0.2 . 1 . . . . 94 LEU C . 16051 1
1224 . 1 1 94 94 LEU CA C 13 53.9 0.2 . 1 . . . . 94 LEU CA . 16051 1
1225 . 1 1 94 94 LEU CB C 13 42.9 0.2 . 1 . . . . 94 LEU CB . 16051 1
1226 . 1 1 94 94 LEU CD1 C 13 22.4 0.02 . 2 . . . . 94 LEU CD1 . 16051 1
1227 . 1 1 94 94 LEU CD2 C 13 22.4 0.02 . 2 . . . . 94 LEU CD2 . 16051 1
1228 . 1 1 94 94 LEU CG C 13 26.3 0.2 . 1 . . . . 94 LEU CG . 16051 1
1229 . 1 1 94 94 LEU N N 15 127.3 0.2 . 1 . . . . 94 LEU N . 16051 1
1230 . 1 1 95 95 SER H H 1 8.63 0.02 . 1 . . . . 95 SER H . 16051 1
1231 . 1 1 95 95 SER HA H 1 4.35 0.02 . 1 . . . . 95 SER HA . 16051 1
1232 . 1 1 95 95 SER HB2 H 1 3.81 0.02 . 2 . . . . 95 SER HB2 . 16051 1
1233 . 1 1 95 95 SER HB3 H 1 3.88 0.02 . 2 . . . . 95 SER HB3 . 16051 1
1234 . 1 1 95 95 SER C C 13 173.8 0.2 . 1 . . . . 95 SER C . 16051 1
1235 . 1 1 95 95 SER CA C 13 58.9 0.2 . 1 . . . . 95 SER CA . 16051 1
1236 . 1 1 95 95 SER CB C 13 63.4 0.2 . 1 . . . . 95 SER CB . 16051 1
1237 . 1 1 95 95 SER N N 15 115.7 0.2 . 1 . . . . 95 SER N . 16051 1
1238 . 1 1 96 96 GLU H H 1 7.23 0.02 . 1 . . . . 96 GLU H . 16051 1
1239 . 1 1 96 96 GLU HA H 1 4.75 0.02 . 1 . . . . 96 GLU HA . 16051 1
1240 . 1 1 96 96 GLU HB2 H 1 1.81 0.02 . 2 . . . . 96 GLU HB2 . 16051 1
1241 . 1 1 96 96 GLU HB3 H 1 1.91 0.02 . 2 . . . . 96 GLU HB3 . 16051 1
1242 . 1 1 96 96 GLU HG2 H 1 2.13 0.02 . 2 . . . . 96 GLU HG2 . 16051 1
1243 . 1 1 96 96 GLU HG3 H 1 2.13 0.02 . 2 . . . . 96 GLU HG3 . 16051 1
1244 . 1 1 96 96 GLU CA C 13 53 0.2 . 1 . . . . 96 GLU CA . 16051 1
1245 . 1 1 96 96 GLU CB C 13 30.7 0.2 . 1 . . . . 96 GLU CB . 16051 1
1246 . 1 1 96 96 GLU CG C 13 35.8 0.2 . 1 . . . . 96 GLU CG . 16051 1
1247 . 1 1 96 96 GLU N N 15 121.6 0.2 . 1 . . . . 96 GLU N . 16051 1
1248 . 1 1 97 97 PRO HA H 1 4.25 0.02 . 1 . . . . 97 PRO HA . 16051 1
1249 . 1 1 97 97 PRO HB2 H 1 1.72 0.02 . 2 . . . . 97 PRO HB2 . 16051 1
1250 . 1 1 97 97 PRO HB3 H 1 2.18 0.02 . 2 . . . . 97 PRO HB3 . 16051 1
1251 . 1 1 97 97 PRO HD2 H 1 3.61 0.02 . 2 . . . . 97 PRO HD2 . 16051 1
1252 . 1 1 97 97 PRO HD3 H 1 3.76 0.02 . 2 . . . . 97 PRO HD3 . 16051 1
1253 . 1 1 97 97 PRO HG2 H 1 1.95 0.02 . 2 . . . . 97 PRO HG2 . 16051 1
1254 . 1 1 97 97 PRO HG3 H 1 1.95 0.02 . 2 . . . . 97 PRO HG3 . 16051 1
1255 . 1 1 97 97 PRO CA C 13 62.4 0.2 . 1 . . . . 97 PRO CA . 16051 1
1256 . 1 1 97 97 PRO CB C 13 32.6 0.2 . 1 . . . . 97 PRO CB . 16051 1
1257 . 1 1 97 97 PRO CD C 13 50.6 0.2 . 1 . . . . 97 PRO CD . 16051 1
1258 . 1 1 97 97 PRO CG C 13 27.1 0.2 . 1 . . . . 97 PRO CG . 16051 1
1259 . 1 1 98 98 ILE H H 1 7.92 0.02 . 1 . . . . 98 ILE H . 16051 1
1260 . 1 1 98 98 ILE HA H 1 4.07 0.02 . 1 . . . . 98 ILE HA . 16051 1
1261 . 1 1 98 98 ILE HB H 1 1.74 0.02 . 1 . . . . 98 ILE HB . 16051 1
1262 . 1 1 98 98 ILE HD11 H 1 0.73 0.02 . 1 . . . . 98 ILE HD1 . 16051 1
1263 . 1 1 98 98 ILE HD12 H 1 0.73 0.02 . 1 . . . . 98 ILE HD1 . 16051 1
1264 . 1 1 98 98 ILE HD13 H 1 0.73 0.02 . 1 . . . . 98 ILE HD1 . 16051 1
1265 . 1 1 98 98 ILE HG12 H 1 1.19 0.02 . 2 . . . . 98 ILE HG12 . 16051 1
1266 . 1 1 98 98 ILE HG13 H 1 1.23 0.02 . 2 . . . . 98 ILE HG13 . 16051 1
1267 . 1 1 98 98 ILE HG21 H 1 0.9 0.02 . 1 . . . . 98 ILE HG2 . 16051 1
1268 . 1 1 98 98 ILE HG22 H 1 0.9 0.02 . 1 . . . . 98 ILE HG2 . 16051 1
1269 . 1 1 98 98 ILE HG23 H 1 0.9 0.02 . 1 . . . . 98 ILE HG2 . 16051 1
1270 . 1 1 98 98 ILE C C 13 175.4 0.2 . 1 . . . . 98 ILE C . 16051 1
1271 . 1 1 98 98 ILE CA C 13 59.3 0.2 . 1 . . . . 98 ILE CA . 16051 1
1272 . 1 1 98 98 ILE CB C 13 38.3 0.2 . 1 . . . . 98 ILE CB . 16051 1
1273 . 1 1 98 98 ILE CD1 C 13 12 0.2 . 1 . . . . 98 ILE CD1 . 16051 1
1274 . 1 1 98 98 ILE CG1 C 13 27.2 0.2 . 1 . . . . 98 ILE CG1 . 16051 1
1275 . 1 1 98 98 ILE CG2 C 13 17 0.2 . 1 . . . . 98 ILE CG2 . 16051 1
1276 . 1 1 98 98 ILE N N 15 122.7 0.2 . 1 . . . . 98 ILE N . 16051 1
1277 . 1 1 99 99 GLU H H 1 8.55 0.02 . 1 . . . . 99 GLU H . 16051 1
1278 . 1 1 99 99 GLU HA H 1 4.26 0.02 . 1 . . . . 99 GLU HA . 16051 1
1279 . 1 1 99 99 GLU HB2 H 1 1.88 0.02 . 2 . . . . 99 GLU HB2 . 16051 1
1280 . 1 1 99 99 GLU HB3 H 1 1.88 0.02 . 2 . . . . 99 GLU HB3 . 16051 1
1281 . 1 1 99 99 GLU HG2 H 1 2.15 0.02 . 2 . . . . 99 GLU HG2 . 16051 1
1282 . 1 1 99 99 GLU HG3 H 1 2.15 0.02 . 2 . . . . 99 GLU HG3 . 16051 1
1283 . 1 1 99 99 GLU C C 13 175.1 0.2 . 1 . . . . 99 GLU C . 16051 1
1284 . 1 1 99 99 GLU CA C 13 55.5 0.2 . 1 . . . . 99 GLU CA . 16051 1
1285 . 1 1 99 99 GLU CB C 13 30 0.2 . 1 . . . . 99 GLU CB . 16051 1
1286 . 1 1 99 99 GLU CG C 13 35.7 0.2 . 1 . . . . 99 GLU CG . 16051 1
1287 . 1 1 99 99 GLU N N 15 127.9 0.2 . 1 . . . . 99 GLU N . 16051 1
1288 . 1 1 100 100 VAL H H 1 7.97 0.02 . 1 . . . . 100 VAL H . 16051 1
1289 . 1 1 100 100 VAL HA H 1 3.98 0.02 . 1 . . . . 100 VAL HA . 16051 1
1290 . 1 1 100 100 VAL HB H 1 1.92 0.02 . 1 . . . . 100 VAL HB . 16051 1
1291 . 1 1 100 100 VAL HG11 H 1 0.69 0.02 . 2 . . . . 100 VAL HG1 . 16051 1
1292 . 1 1 100 100 VAL HG12 H 1 0.69 0.02 . 2 . . . . 100 VAL HG1 . 16051 1
1293 . 1 1 100 100 VAL HG13 H 1 0.69 0.02 . 2 . . . . 100 VAL HG1 . 16051 1
1294 . 1 1 100 100 VAL HG21 H 1 0.82 0.02 . 2 . . . . 100 VAL HG2 . 16051 1
1295 . 1 1 100 100 VAL HG22 H 1 0.82 0.02 . 2 . . . . 100 VAL HG2 . 16051 1
1296 . 1 1 100 100 VAL HG23 H 1 0.82 0.02 . 2 . . . . 100 VAL HG2 . 16051 1
1297 . 1 1 100 100 VAL C C 13 176.7 0.2 . 1 . . . . 100 VAL C . 16051 1
1298 . 1 1 100 100 VAL CA C 13 61 0.2 . 1 . . . . 100 VAL CA . 16051 1
1299 . 1 1 100 100 VAL CB C 13 33 0.2 . 1 . . . . 100 VAL CB . 16051 1
1300 . 1 1 100 100 VAL CG1 C 13 21.3 0.02 . 2 . . . . 100 VAL CG1 . 16051 1
1301 . 1 1 100 100 VAL CG2 C 13 21.3 0.02 . 2 . . . . 100 VAL CG2 . 16051 1
1302 . 1 1 100 100 VAL N N 15 121.1 0.2 . 1 . . . . 100 VAL N . 16051 1
1303 . 1 1 101 101 GLY H H 1 8.52 0.02 . 1 . . . . 101 GLY H . 16051 1
1304 . 1 1 101 101 GLY HA2 H 1 3.83 0.02 . 2 . . . . 101 GLY HA2 . 16051 1
1305 . 1 1 101 101 GLY HA3 H 1 3.98 0.02 . 2 . . . . 101 GLY HA3 . 16051 1
1306 . 1 1 101 101 GLY C C 13 174.2 0.2 . 1 . . . . 101 GLY C . 16051 1
1307 . 1 1 101 101 GLY CA C 13 45.8 0.2 . 1 . . . . 101 GLY CA . 16051 1
1308 . 1 1 101 101 GLY N N 15 114 0.2 . 1 . . . . 101 GLY N . 16051 1
1309 . 1 1 102 102 LEU H H 1 8.10 0.02 . 1 . . . . 102 LEU H . 16051 1
1310 . 1 1 102 102 LEU HA H 1 4.17 0.02 . 1 . . . . 102 LEU HA . 16051 1
1311 . 1 1 102 102 LEU HB2 H 1 1.52 0.02 . 2 . . . . 102 LEU HB2 . 16051 1
1312 . 1 1 102 102 LEU HB3 H 1 1.52 0.02 . 2 . . . . 102 LEU HB3 . 16051 1
1313 . 1 1 102 102 LEU HD11 H 1 0.83 0.02 . 2 . . . . 102 LEU HD1 . 16051 1
1314 . 1 1 102 102 LEU HD12 H 1 0.83 0.02 . 2 . . . . 102 LEU HD1 . 16051 1
1315 . 1 1 102 102 LEU HD13 H 1 0.83 0.02 . 2 . . . . 102 LEU HD1 . 16051 1
1316 . 1 1 102 102 LEU HD21 H 1 0.78 0.02 . 2 . . . . 102 LEU HD2 . 16051 1
1317 . 1 1 102 102 LEU HD22 H 1 0.78 0.02 . 2 . . . . 102 LEU HD2 . 16051 1
1318 . 1 1 102 102 LEU HD23 H 1 0.78 0.02 . 2 . . . . 102 LEU HD2 . 16051 1
1319 . 1 1 102 102 LEU C C 13 177.7 0.2 . 1 . . . . 102 LEU C . 16051 1
1320 . 1 1 102 102 LEU CA C 13 55.5 0.2 . 1 . . . . 102 LEU CA . 16051 1
1321 . 1 1 102 102 LEU CB C 13 42.6 0.2 . 1 . . . . 102 LEU CB . 16051 1
1322 . 1 1 102 102 LEU CD1 C 13 25.1 0.02 . 2 . . . . 102 LEU CD1 . 16051 1
1323 . 1 1 102 102 LEU CD2 C 13 23.6 0.02 . 2 . . . . 102 LEU CD2 . 16051 1
1324 . 1 1 102 102 LEU CG C 13 27.1 0.2 . 1 . . . . 102 LEU CG . 16051 1
1325 . 1 1 102 102 LEU N N 15 121.0 0.2 . 1 . . . . 102 LEU N . 16051 1
1326 . 1 1 103 103 GLU H H 1 8.42 0.02 . 1 . . . . 103 GLU H . 16051 1
1327 . 1 1 103 103 GLU HA H 1 4.09 0.02 . 1 . . . . 103 GLU HA . 16051 1
1328 . 1 1 103 103 GLU HB2 H 1 1.84 0.02 . 2 . . . . 103 GLU HB2 . 16051 1
1329 . 1 1 103 103 GLU HB3 H 1 1.84 0.02 . 2 . . . . 103 GLU HB3 . 16051 1
1330 . 1 1 103 103 GLU HG2 H 1 2.01 0.02 . 2 . . . . 103 GLU HG2 . 16051 1
1331 . 1 1 103 103 GLU HG3 H 1 2.1 0.02 . 2 . . . . 103 GLU HG3 . 16051 1
1332 . 1 1 103 103 GLU C C 13 176.4 0.2 . 1 . . . . 103 GLU C . 16051 1
1333 . 1 1 103 103 GLU CA C 13 57.1 0.2 . 1 . . . . 103 GLU CA . 16051 1
1334 . 1 1 103 103 GLU CB C 13 29.9 0.2 . 1 . . . . 103 GLU CB . 16051 1
1335 . 1 1 103 103 GLU CG C 13 35.9 0.2 . 1 . . . . 103 GLU CG . 16051 1
1336 . 1 1 103 103 GLU N N 15 120 0.2 . 1 . . . . 103 GLU N . 16051 1
1337 . 1 1 104 104 HIS H H 1 8.18 0.02 . 1 . . . . 104 HIS H . 16051 1
1338 . 1 1 104 104 HIS HA H 1 4.58 0.02 . 1 . . . . 104 HIS HA . 16051 1
1339 . 1 1 104 104 HIS HB2 H 1 3.09 0.02 . 2 . . . . 104 HIS HB2 . 16051 1
1340 . 1 1 104 104 HIS HB3 H 1 3.09 0.02 . 2 . . . . 104 HIS HB3 . 16051 1
1341 . 1 1 104 104 HIS C C 13 173.8 0.2 . 1 . . . . 104 HIS C . 16051 1
1342 . 1 1 104 104 HIS CA C 13 55.7 0.2 . 1 . . . . 104 HIS CA . 16051 1
1343 . 1 1 104 104 HIS CB C 13 30.0 0.2 . 1 . . . . 104 HIS CB . 16051 1
1344 . 1 1 104 104 HIS N N 15 119.0 0.2 . 1 . . . . 104 HIS N . 16051 1
1345 . 1 1 105 105 HIS H H 1 8.16 0.02 . 1 . . . . 105 HIS H . 16051 1
1346 . 1 1 105 105 HIS HA H 1 4.38 0.02 . 1 . . . . 105 HIS HA . 16051 1
1347 . 1 1 105 105 HIS HB2 H 1 3.05 0.02 . 2 . . . . 105 HIS HB2 . 16051 1
1348 . 1 1 105 105 HIS HB3 H 1 3.15 0.02 . 2 . . . . 105 HIS HB3 . 16051 1
1349 . 1 1 105 105 HIS CA C 13 57.2 0.2 . 1 . . . . 105 HIS CA . 16051 1
1350 . 1 1 105 105 HIS CB C 13 30.0 0.2 . 1 . . . . 105 HIS CB . 16051 1
1351 . 1 1 105 105 HIS N N 15 125.4 0.2 . 1 . . . . 105 HIS N . 16051 1
stop_
save_
#########################
# Spectral peak lists #
#########################
save_N15-noesy
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode N15-noesy
_Spectral_peak_list.Entry_ID 16051
_Spectral_peak_list.ID 1
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 8
_Spectral_peak_list.Experiment_name '3D 1H-15N NOESY'
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
w1 w2 w3 Data Height
119.987 8.915 8.573 4634531
119.986 7.897 8.574 6034022
119.992 7.113 8.575 5582711
119.997 4.795 8.573 13897315
119.962 4.666 8.580 7254437
120.034 4.557 8.575 6067068
120.002 4.433 8.574 104392240
120.099 4.343 8.569 -3887725
120.013 4.258 8.575 27791232
120.005 2.349 8.574 23596708
120.003 2.020 8.574 80828680
120.017 1.905 8.572 9575570
120.013 1.779 8.575 20159968
120.003 2.100 8.581 24328988
128.508 8.733 8.919 4473140
128.538 8.578 8.917 4050795
128.513 4.799 8.915 16493633
128.504 4.669 8.916 12708937
128.517 4.254 8.916 90862328
128.522 2.351 8.915 9720842
128.527 2.022 8.916 14840203
128.541 1.877 8.916 3539603
128.519 1.709 8.916 44487916
128.524 1.478 8.915 16369703
128.524 0.867 8.916 10465427
128.505 0.628 8.917 9887368
121.010 9.077 8.747 3191761
121.078 8.251 8.751 5079400
121.022 8.572 8.752 3202579
121.022 8.916 8.752 5764145
121.457 4.793 8.746 20007308
121.444 4.387 8.723 5433163
121.513 4.348 8.723 4902148
121.470 4.251 8.721 148756288
121.541 4.105 8.723 3513388
121.172 4.923 8.742 9873738
121.113 4.545 8.753 13134251
121.032 4.664 8.748 49626652
121.018 3.656 8.748 25412836
121.034 2.958 8.744 4450026
121.054 1.123 8.747 8612436
121.055 0.991 8.747 7180774
121.088 0.858 8.750 7683673
120.995 0.736 8.752 3782129
121.049 0.621 8.746 17229392
121.463 1.807 8.716 3047542
121.048 1.718 8.747 10638746
121.037 1.477 8.746 13425583
126.339 9.862 9.078 3296677
126.340 8.749 9.079 3196958
126.292 7.497 9.081 4387166
126.329 4.438 9.080 16281815
126.191 4.666 9.089 9034746
126.298 4.543 9.080 82222688
126.267 3.656 9.080 4476064
125.839 4.796 9.099 45881420
125.773 4.693 9.098 7470132
125.826 4.010 9.099 34934000
126.322 2.199 9.081 12553324
126.310 1.715 9.080 26826350
126.302 2.910 9.081 9458614
126.279 2.649 9.080 10713570
126.305 1.530 9.080 36412208
126.303 1.117 9.080 34959112
125.870 2.714 9.100 7348412
126.299 0.761 9.081 5381346
124.661 8.345 9.850 4594363
124.670 6.935 9.851 6431052
124.683 3.238 9.851 6500227
124.681 4.429 9.850 15380821
124.683 2.198 9.850 4757929
124.683 1.683 9.852 12867970
124.679 1.594 9.850 15782885
124.691 1.124 9.851 3122258
124.674 0.611 9.850 9711484
124.653 0.493 9.851 7293537
119.506 9.854 8.344 8857486
119.506 9.598 8.344 4005965
119.506 7.510 8.340 13352412
119.506 6.953 8.340 14297526
119.506 4.191 8.346 13511273
119.506 3.935 8.346 20709778
119.506 4.426 8.353 4098100
119.506 4.579 8.364 4549923
119.506 3.250 8.344 4733666
119.506 2.202 8.348 6050546
119.506 1.953 8.342 40189796
119.506 1.718 8.346 8149512
119.506 1.576 8.346 10303215
119.506 1.055 8.339 16738366
119.506 0.770 8.340 42488592
119.126 8.343 7.503 19639924
119.133 6.949 7.511 3262900
119.099 7.305 7.508 3485681
119.135 4.728 7.503 21259534
119.132 3.930 7.505 9080518
119.140 3.787 7.507 2870126
119.127 2.649 7.504 31325152
119.126 2.905 7.504 19912730
119.121 3.238 7.506 4747280
119.128 2.204 7.506 5458072
119.125 1.976 7.503 8452978
119.139 1.715 7.504 8448831
119.128 1.556 7.504 3812261
119.132 1.413 7.507 3877000
119.132 1.108 7.504 13715471
119.129 0.761 7.503 36337560
119.095 0.632 7.501 4168885
119.137 0.475 7.505 5663076
124.244 8.348 7.460 3026880
124.187 8.520 7.463 4268544
124.254 6.941 7.465 3113152
124.222 4.728 7.460 12937847
124.221 3.927 7.461 6683402
124.222 3.789 7.459 16491464
124.224 3.236 7.461 6221036
124.228 2.909 7.463 4463514
124.232 2.637 7.461 5225340
124.216 1.984 7.460 52069584
124.221 1.420 7.461 19954666
124.214 1.129 7.459 7640150
124.214 0.731 7.461 25881856
124.201 0.587 7.458 7130363
124.218 0.464 7.459 25776974
124.199 1.063 7.458 4357083
118.478 7.807 8.523 2518962
118.482 7.427 8.520 28976172
118.455 6.917 8.521 4816147
118.451 4.257 8.519 6067566
118.466 3.789 8.519 29837156
118.468 2.293 8.519 3094103
118.435 2.142 8.522 2383990
118.423 1.850 8.522 2471146
118.466 0.700 8.519 27962136
118.472 0.449 8.519 7259085
125.861 8.648 9.099 5359169
125.877 6.995 9.101 3480430
125.839 2.405 9.106 3772355
110.585 9.590 7.637 74383648
110.593 8.962 7.637 23072912
110.593 6.942 7.638 24653772
110.575 8.010 7.635 5499359
110.606 4.194 7.637 6925406
110.595 3.996 7.637 43075604
110.595 4.587 7.638 13363588
110.607 1.581 7.637 9855556
110.588 1.103 7.638 12533435
110.591 0.827 7.636 7999866
110.587 0.637 7.639 9931880
110.591 0.481 7.635 8107814
113.941 5.436 7.992 8642076
113.942 3.997 7.992 48580420
113.945 1.696 7.993 13201239
113.948 1.456 7.992 9591299
113.948 1.036 7.992 11926716
113.937 0.835 7.993 13266944
113.941 0.484 7.992 10794758
113.955 7.650 7.992 4726258
123.658 5.442 9.336 31281846
123.664 4.640 9.338 6995536
123.677 1.691 9.336 17803420
123.663 0.838 9.338 14757712
123.670 0.670 9.337 24386976
123.640 0.488 9.337 5866305
123.663 1.470 9.338 2625649
123.671 1.191 9.338 3612739
123.698 1.029 9.336 2759150
123.644 7.985 9.339 2629752
123.676 3.544 9.336 2292588
129.102 8.559 8.350 2618318
129.102 9.087 8.353 1803169
129.102 9.365 8.342 2071404
129.102 7.006 8.350 1477179
129.102 6.808 8.357 1061336
129.132 5.103 8.350 3697870
129.140 4.958 8.352 2335204
129.122 4.806 8.351 9278447
129.123 4.642 8.349 31581806
129.119 1.881 8.348 12836978
129.128 1.723 8.349 23230040
129.132 1.520 8.350 12586767
129.145 1.284 8.355 2594206
129.138 1.156 8.356 2792570
129.132 0.920 8.351 4713377
129.111 0.786 8.348 8518440
129.109 0.689 8.350 6831551
129.074 0.461 8.353 2129310
122.657 9.428 8.561 4019208
122.533 9.269 8.549 4141549
122.533 9.100 8.554 5260438
122.647 8.357 8.560 6077349
122.614 8.179 8.565 4484738
122.647 6.743 8.560 4033736
122.667 6.592 8.562 15882815
122.659 6.449 8.564 13186329
122.650 5.832 8.563 7696393
122.534 5.447 8.549 12143092
122.541 4.939 8.549 78761760
122.614 4.813 8.558 47975976
122.624 4.166 8.560 3317978
122.689 2.409 8.563 6324808
122.544 2.833 8.556 1950258
122.672 2.556 8.562 4146994
122.542 1.595 8.548 41752352
122.538 1.453 8.549 26970188
122.624 1.313 8.559 5918366
122.585 1.175 8.555 17453244
122.595 0.880 8.555 15737971
122.596 0.724 8.555 16060678
122.548 0.611 8.549 25417190
114.446 9.085 8.189 4315826
114.421 8.864 8.194 3344060
114.423 8.689 8.191 4313964
114.320 8.555 8.188 3572809
114.428 6.596 8.190 6846936
114.437 5.836 8.188 35652496
114.430 5.017 8.190 10980095
114.417 4.324 8.190 8593211
114.429 3.390 8.188 13631334
114.431 2.542 8.190 12495110
114.432 2.412 8.188 9617578
114.395 2.289 8.189 3488946
114.445 1.814 8.189 5770224
114.411 0.778 8.190 6920928
114.406 0.653 8.189 7667347
114.450 0.188 8.189 5081771
123.402 7.388 8.872 10789562
123.429 6.741 8.875 3109854
123.414 6.597 8.871 4787219
123.403 6.445 8.871 2046367
123.462 4.660 8.869 7942516
123.392 4.322 8.871 42501872
123.404 4.153 8.871 7305396
123.389 3.545 8.867 2277548
123.370 3.393 8.870 4956752
123.393 1.753 8.870 17678786
123.799 0.874 8.859 15005708
123.375 0.518 8.870 9608399
123.377 0.189 8.871 14288176
123.408 2.247 8.872 3123692
123.359 1.995 8.870 2529792
123.359 0.764 8.862 5645257
123.359 1.643 8.870 8297952
129.583 9.002 8.020 3581380
129.552 8.871 8.021 2671220
129.591 8.689 8.014 3756321
129.564 7.672 8.020 3330768
129.571 7.198 8.020 7017926
129.585 5.242 8.019 3387876
129.566 4.642 8.019 35588920
129.533 4.742 8.020 9439535
129.560 3.694 8.017 9739866
129.573 3.130 8.019 15808693
129.564 2.252 8.019 7183744
129.577 1.327 8.019 6207867
129.568 0.892 8.020 19388572
129.533 0.764 8.016 2941702
129.533 0.654 8.013 4278378
125.530 7.670 8.984 5012990
125.509 8.610 8.981 5184864
125.467 4.764 8.987 12151159
125.467 4.603 8.987 3890513
125.467 4.501 8.976 3059832
125.467 4.083 8.991 22912936
125.467 3.717 8.983 6492681
125.467 3.563 8.980 4169399
125.467 3.131 8.980 4621138
125.504 1.822 8.982 16752000
125.502 1.697 8.985 5185522
125.495 1.579 8.982 18874808
125.482 1.362 8.984 8122842
125.509 0.513 8.978 3174942
125.500 0.234 8.985 1667676
128.521 8.684 10.096 2532571
128.490 8.026 10.092 2133544
128.481 7.428 10.100 2315625
128.511 7.288 10.095 32564618
128.512 7.195 10.096 80919888
128.494 7.064 10.098 8308988
128.486 6.867 10.101 4336237
128.507 5.016 10.098 4860053
128.508 4.794 10.094 7364474
128.499 5.255 10.101 2885502
128.497 3.385 10.093 5568198
128.502 3.124 10.100 3412006
128.506 2.635 10.097 4141144
128.493 2.191 10.098 9502953
128.533 2.024 10.097 8288088
128.507 1.838 10.096 20313114
128.433 0.660 10.095 2206149
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113.513 2.316 7.890 10208439
113.734 2.323 7.677 6123866
113.571 1.799 7.893 3385304
113.692 1.806 7.678 2776397
113.874 1.687 7.886 1754726
113.702 1.670 7.684 1709666
113.633 1.536 7.674 2922640
113.697 1.518 7.890 2194705
113.714 1.289 7.888 4073678
113.624 1.286 7.674 6257006
113.695 0.963 7.675 8526352
113.619 0.966 7.889 9525339
113.650 0.749 7.888 5590327
113.675 0.747 7.677 5032962
111.550 2.076 6.819 5374792
111.513 1.784 6.817 5102164
111.512 2.080 7.558 8799025
111.499 1.783 7.557 9830026
111.575 2.713 6.818 1676122
111.494 3.384 6.822 1955044
111.484 4.558 7.551 2261946
111.376 5.065 6.820 1545017
111.566 7.559 6.819 87786904
111.561 6.823 7.557 79619456
118.979 8.424 8.184 4857472
118.966 7.016 8.182 1973579
118.970 4.798 8.186 133593216
118.968 4.572 8.187 10286395
118.960 4.096 8.186 15459815
118.967 3.052 8.186 6372421
118.971 2.961 8.185 8353771
118.956 1.851 8.185 6102780
125.374 7.070 8.166 3575192
125.374 4.799 8.166 255060528
125.377 4.583 8.166 44831364
125.379 4.385 8.170 14540659
125.373 3.101 8.166 16348841
125.372 3.038 8.165 18800240
;
loop_
_Spectral_dim.ID
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 N 15 amide . 2400 . . . 16051 1
2 H 1 all . 3836 . . . 16051 1
3 H 1 amide . 10416 . . . 16051 1
stop_
save_
save_C13-noesy
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode C13-noesy
_Spectral_peak_list.Entry_ID 16051
_Spectral_peak_list.ID 2
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 9
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY'
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Details 'combined peak list from aliphatic noesy and aromatic noesy, but only aliph noesy spectrum details provided'
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
w1 w2 w3 Data Height
62.524 3.711 4.433 13508405
62.560 2.109 4.433 119363352
62.522 1.813 4.431 62849976
62.557 8.599 4.433 170089824
31.973 0.729 2.111 43485732
31.973 1.799 2.100 297607520
31.973 4.466 2.094 57533344
31.973 3.711 2.097 13865683
31.973 3.704 1.777 9261525
31.973 4.444 1.777 67466816
31.973 0.715 1.760 24555050
31.973 2.114 1.774 270324192
27.189 1.337 1.880 17694930
27.189 0.912 1.883 15028223
27.189 0.656 1.886 40236408
27.189 0.649 1.968 12658067
27.189 0.934 1.974 11284041
27.189 1.315 1.971 13094894
27.189 3.455 1.880 40476452
27.189 3.433 1.971 36892412
27.189 3.667 1.962 56777508
27.189 3.667 1.886 87737256
27.189 3.792 1.894 66262656
27.189 3.784 1.953 84377384
27.189 4.407 1.962 18409160
27.189 4.729 1.968 20294468
27.189 4.744 1.886 13164811
27.189 4.400 1.886 17219578
27.189 2.224 1.974 78643544
27.189 2.246 1.877 30546252
50.196 4.577 3.637 106116448
50.203 4.577 3.712 113257168
50.375 1.914 3.630 125198544
50.312 1.901 3.719 97817352
50.187 2.070 3.717 23922562
50.375 1.914 3.630 125198544
55.832 2.378 4.256 38878800
55.821 2.044 4.256 107608912
55.613 1.910 4.252 93964080
55.725 1.755 4.248 29973202
55.725 0.846 4.248 16450522
55.725 0.693 4.253 18979094
55.813 8.940 4.256 138428656
55.709 8.592 4.255 60476624
55.618 7.989 4.251 130798072
29.685 3.675 2.028 40325936
29.685 3.675 2.028 40325936
29.466 4.266 2.035 47478300
29.619 4.576 2.031 52521588
29.456 9.030 2.043 36449404
29.295 8.599 2.022 56086280
29.473 4.813 2.042 28398584
29.531 2.293 2.040 200781440
29.466 4.149 2.044 106627088
34.095 2.046 2.363 125400456
33.717 4.278 2.357 40970572
33.773 7.608 2.354 24586632
33.740 8.599 2.355 32303594
33.708 8.938 2.355 17716414
42.984 1.506 1.730 100184240
42.984 0.890 1.730 63301740
42.984 0.671 1.733 24287864
42.984 0.656 1.484 40043640
42.984 0.854 1.490 101201480
42.984 1.711 1.487 120021656
42.984 4.678 1.733 16843256
42.984 4.685 1.484 22712666
42.984 8.942 1.742 25046390
42.984 8.949 1.478 14100238
42.984 8.751 1.481 13175532
26.457 0.656 1.698 38251596
26.457 0.905 1.698 79100808
26.457 8.942 1.692 17147040
26.457 4.685 1.683 14181428
25.636 0.685 0.878 218587232
25.636 4.693 0.872 22829908
23.805 2.971 0.625 33288522
23.805 2.356 0.625 29049272
23.805 1.733 0.623 114853600
23.805 1.506 0.625 74759456
23.805 4.663 0.634 62472080
23.805 8.773 0.634 18442210
23.805 8.935 0.634 13705914
23.805 8.576 0.631 10174171
61.666 3.689 4.547 22256340
61.666 1.118 4.547 103452208
61.666 0.766 4.564 49716252
61.666 9.103 4.538 111057776
61.666 8.781 4.535 15915986
71.963 1.134 3.657 94151208
71.963 1.024 3.655 66888028
71.966 0.618 3.657 27146700
71.952 4.814 3.657 36786672
71.972 4.579 3.658 29421438
71.960 8.769 3.657 40276368
20.942 9.100 1.119 32984580
20.908 8.771 1.120 9643746
20.929 7.823 1.119 20542460
20.925 7.506 1.118 19688466
20.913 6.944 1.120 20513790
20.947 2.934 1.119 37188884
20.938 2.667 1.119 51222092
20.920 3.689 1.115 70971368
20.920 4.539 1.115 46788592
20.920 4.781 1.118 20916466
20.920 0.480 1.127 30360966
20.920 0.619 1.118 19673968
20.920 0.722 1.124 27512732
20.920 1.462 1.121 42169320
54.531 8.436 4.420 18205986
54.531 8.788 4.420 111139888
54.322 9.876 4.428 62125208
54.531 1.125 4.426 10192293
54.531 0.956 4.420 18032784
54.531 0.641 4.429 11164544
54.531 1.542 4.432 55479552
54.531 1.740 4.429 64606408
54.531 2.194 4.412 57963856
28.111 1.132 1.693 27205418
28.138 1.132 1.532 41507656
28.081 1.560 1.693 270884160
28.089 1.709 1.532 194929040
28.075 2.221 1.694 23482486
28.098 2.220 1.533 27567682
28.132 2.943 1.694 40315488
28.141 2.954 1.532 45698100
28.846 4.854 1.528 15144733
28.136 4.818 1.692 21265876
28.172 4.819 1.529 19603264
28.093 4.445 1.694 35720216
28.082 4.447 1.531 22654590
28.131 9.104 1.532 10804998
24.724 2.220 1.529 45350240
24.678 2.950 1.523 55107028
24.717 1.131 1.529 45542292
24.691 4.455 1.529 28476634
24.723 9.099 1.529 31507764
66.876 1.998 3.237 11512201
66.869 1.667 3.241 41886768
66.869 1.452 3.240 20202774
66.875 0.515 3.241 99581608
66.880 0.671 3.242 56158044
66.900 7.499 3.238 9094422
66.868 9.873 3.241 17871494
13.211 0.509 0.640 202736880
13.211 1.205 0.646 53910888
13.211 1.689 0.640 115575880
13.321 3.576 0.643 17306254
13.265 3.261 0.642 28669160
13.234 3.058 0.642 13340582
13.287 5.404 0.642 40550960
13.258 9.366 0.643 16947546
13.342 9.232 0.645 8995056
13.270 8.982 0.644 41348360
13.292 9.883 0.642 17362506
17.773 1.662 0.482 114353416
17.760 3.258 0.481 36853980
17.845 0.694 0.478 185443296
17.770 4.008 0.483 35305672
17.763 5.449 0.479 10822229
17.768 9.876 0.479 11664653
17.773 8.364 0.481 13655970
17.760 8.017 0.482 15364692
36.470 0.514 1.591 69517136
36.480 0.646 1.591 51274756
36.562 3.261 1.591 13104765
36.532 7.647 1.588 7439672
36.507 9.879 1.590 32866240
36.437 8.363 1.590 15443703
36.481 6.963 1.590 16889476
63.246 1.988 3.927 72111208
63.244 1.067 3.927 110929496
63.312 0.788 3.926 51442112
63.223 0.502 3.926 15787650
63.256 8.363 3.926 39410796
63.233 7.508 3.927 21342250
31.952 0.759 1.979 88893288
31.952 1.081 1.976 51243176
31.781 3.953 1.966 40442068
31.952 4.246 1.974 34871848
31.952 4.422 1.985 33188988
31.952 4.634 1.985 41305248
31.952 7.968 1.997 29276088
31.952 8.795 1.994 17441246
21.776 0.803 1.042 211359008
21.776 1.989 1.045 124682192
21.776 3.945 1.056 116120784
21.776 4.202 1.050 36221332
21.776 7.521 1.045 10040794
21.776 8.363 1.047 37899484
18.880 1.074 0.766 254069648
18.885 2.214 0.766 30706836
18.895 1.987 0.766 112714544
18.885 1.744 0.767 41627364
18.904 1.563 0.767 28339324
18.957 4.600 0.767 19141444
18.895 4.216 0.766 81899384
18.909 3.953 0.767 46359044
18.888 8.363 0.766 86137624
18.893 7.519 0.766 43733716
18.838 6.963 0.766 9643108
54.413 0.781 4.716 41087780
54.413 0.912 4.714 67818744
54.413 1.520 4.719 29815448
54.413 1.762 4.722 31608338
54.413 1.982 4.728 69799536
54.413 2.209 4.722 16893084
54.413 2.678 4.731 36691204
54.413 2.942 4.728 49629460
54.413 3.696 4.728 16569236
41.157 1.137 2.646 34632460
41.240 0.885 2.628 48432524
41.167 0.527 2.629 9545663
41.311 1.760 2.633 9711415
41.218 2.319 2.624 10229897
41.227 4.867 2.628 42987116
41.253 8.738 2.630 39057384
41.207 7.550 2.637 76561128
41.243 7.164 2.631 20583600
41.218 9.118 2.645 6030974
41.218 2.927 2.650 95809640
41.218 1.147 2.911 32386450
41.218 0.810 2.914 10719504
41.218 2.678 2.911 118169088
41.218 4.759 2.908 31741830
41.218 4.751 2.645 27843726
41.218 7.535 2.914 22346498
62.256 2.007 3.788 15482880
62.229 1.450 3.788 20969380
62.232 1.133 3.789 12344633
62.252 0.742 3.789 65797768
62.227 0.472 3.790 58484876
62.234 8.547 3.789 84291968
62.251 7.820 3.789 16066427
62.232 7.468 3.789 39164332
62.240 6.942 3.788 31395576
35.312 1.446 1.988 20988514
35.339 0.756 1.989 40801104
35.299 0.475 1.987 82393992
35.306 3.812 1.986 13526486
35.350 7.477 1.988 50188848
18.479 0.759 0.447 269638976
18.479 1.455 0.444 20330646
18.479 2.011 0.444 76959848
18.479 2.803 0.444 13780923
18.479 3.074 0.444 9775994
18.479 3.828 0.444 40373620
18.479 7.074 0.447 16189910
18.479 7.462 0.441 24420980
18.479 8.539 0.444 16040233
12.779 0.759 0.473 242976352
12.779 1.000 0.479 31987670
12.779 1.140 0.476 37565660
12.779 1.440 0.479 62785584
12.779 1.682 0.482 19408664
12.779 2.026 0.482 37353948
12.779 3.279 0.476 44902344
12.779 3.828 0.473 21802622
12.779 7.499 0.479 17567204
27.329 2.041 0.725 17485704
27.329 2.011 1.423 45991492
27.329 3.271 1.420 14889157
27.329 3.257 0.719 11940439
27.329 3.821 0.728 21730810
27.329 3.799 1.428 14293365
27.329 7.499 0.716 14065527
27.329 7.499 1.426 19456774
27.329 0.480 1.426 61251692
27.329 0.473 0.728 64898236
60.647 2.313 4.263 79604096
60.637 8.545 4.264 22866020
60.672 7.451 4.263 21668722
60.637 7.090 4.262 27993370
60.670 0.764 4.262 108687608
35.904 4.268 2.284 37463844
35.904 2.077 2.287 302374976
35.904 0.795 2.293 74241864
17.805 1.850 0.696 29285460
17.805 2.151 0.696 39731768
17.805 2.356 0.693 65462024
17.805 3.828 0.696 25915662
17.805 4.282 0.702 34552812
17.794 8.547 0.696 87539312
17.801 7.449 0.697 46418900
17.808 6.945 0.697 15132302
21.211 2.312 0.757 183457744
21.211 4.297 0.757 117940504
21.211 4.751 0.760 54212788
21.200 7.472 0.757 22954742
21.211 8.561 0.763 31009268
21.211 9.103 0.775 20708426
56.787 4.869 4.251 10769528
56.787 2.671 4.253 11466161
56.787 2.290 4.253 26869594
56.787 1.938 4.251 106929192
56.787 8.730 4.253 158485568
30.002 4.275 1.933 75095992
30.002 8.627 1.930 64998312
36.024 8.620 2.185 32250358
36.024 8.810 2.182 27445720
36.024 9.088 2.185 17716346
36.024 7.924 2.176 24548238
36.024 4.275 2.182 42963884
36.024 0.788 2.179 57698460
53.461 6.919 5.172 54092896
53.474 8.879 5.173 18254482
53.487 8.640 5.172 73755104
53.446 3.252 5.173 43437192
53.528 2.915 5.173 28754666
43.995 0.956 1.502 52148000
43.995 1.821 1.505 94174056
43.995 1.513 1.804 105875168
43.995 0.964 1.804 47197020
43.995 4.722 1.496 17966666
43.995 4.737 1.801 13945098
43.995 8.473 1.502 10877359
43.995 8.876 1.502 7391386
43.995 8.495 1.804 19848204
43.995 8.891 1.801 5889788
24.933 1.535 0.869 179332944
24.933 2.326 0.886 41707216
24.933 4.744 0.883 98753288
24.933 3.711 0.886 30500270
24.933 2.883 0.880 10359129
24.933 6.620 0.886 84527728
24.933 6.781 0.889 41266608
24.933 7.697 0.892 28787632
24.933 7.902 0.892 33780368
24.933 8.451 0.895 19685482
24.933 8.634 0.895 18346446
24.933 8.839 0.889 20607336
25.914 1.469 0.977 130666152
25.914 1.821 0.974 82646616
25.914 2.004 0.968 60464460
25.914 2.341 0.974 23344628
25.914 3.726 0.968 11924282
25.914 4.451 0.974 22851912
25.914 4.707 0.971 12896289
25.927 8.801 0.971 38078620
25.907 8.489 0.974 13270192
25.904 7.913 0.972 33142144
25.914 7.697 0.972 31631700
54.443 3.696 4.555 187068992
54.443 2.290 4.558 27166544
54.443 2.070 4.558 49570752
54.443 1.872 4.558 51713880
34.149 1.315 1.871 16527985
34.149 0.905 1.877 18134950
34.149 2.304 1.883 42933988
34.149 2.495 1.883 25167580
34.149 4.576 1.883 19286044
34.149 6.927 1.883 8960089
34.149 7.631 1.874 8920722
34.149 8.444 1.889 11221582
34.149 10.129 1.886 8876027
34.237 0.868 2.481 6235640
34.237 1.909 2.483 45683416
34.237 2.334 2.486 122699800
34.237 4.583 2.486 12541100
34.237 6.942 2.478 12338522
34.237 7.718 2.483 10241347
34.237 8.480 2.483 7539607
34.237 8.473 2.311 9416630
34.237 7.704 2.313 16887126
34.237 6.927 2.316 24051354
34.237 4.583 2.308 20868002
34.237 2.510 2.305 118498992
34.237 1.894 2.305 82735360
62.033 1.792 4.210 50631892
62.033 1.301 4.215 15588393
62.033 1.030 4.215 23309800
62.033 0.839 4.207 65735956
62.033 0.729 4.210 49368652
62.033 7.616 4.207 12885533
62.033 8.436 4.207 24712730
38.325 0.744 1.777 60301004
38.325 0.876 1.777 104532704
38.325 1.279 1.774 60009052
38.325 4.217 1.780 28335810
38.325 7.653 1.786 16325461
38.325 8.458 1.789 28448404
26.955 5.367 1.291 6908728
26.955 4.195 1.288 9910606
26.955 3.557 1.273 11040343
26.955 3.565 1.042 9055197
26.955 4.217 1.036 12490491
26.955 5.359 1.047 12074973
26.955 7.638 1.291 8674858
26.955 7.609 1.036 7440010
26.955 8.466 1.288 18942850
26.955 8.473 1.042 30188780
17.811 1.814 0.863 130009664
17.811 1.286 0.869 62133748
17.811 8.458 0.854 27963258
17.811 7.616 0.860 11746014
17.811 4.231 0.860 67591344
17.811 3.579 0.851 10984689
17.811 2.854 0.857 12368214
17.811 2.341 0.857 23240236
17.811 2.546 0.857 9883199
13.099 3.586 0.725 29991626
13.099 4.202 0.725 27360736
13.099 5.396 0.716 21175466
13.099 8.473 0.728 14945825
13.099 9.228 0.722 13047548
13.099 8.979 0.725 6318006
62.721 0.067 4.103 35989256
62.670 0.748 4.103 81521128
62.623 2.519 4.105 13653807
62.697 5.346 4.103 23271294
62.746 7.601 4.102 11096488
62.690 8.459 4.103 69174248
62.685 8.630 4.102 12637309
30.574 0.759 2.498 94425728
30.574 3.733 2.498 22671390
30.450 6.721 2.489 7276456
30.420 7.608 2.492 11473333
30.469 8.639 2.492 26901770
30.433 9.165 2.493 19626884
21.826 0.063 0.699 23593736
21.826 1.418 0.708 66848860
21.826 1.689 0.702 34925464
21.826 1.982 0.693 93484296
21.826 3.726 0.710 70142432
21.826 4.041 0.702 34758596
21.826 6.642 0.710 23311048
21.826 6.744 0.725 17696238
21.826 7.631 0.710 24437690
21.826 7.968 0.699 38536152
21.826 8.444 0.708 32279560
21.826 8.612 0.710 14582983
21.826 9.096 0.672 16237646
21.826 9.257 0.669 20187542
24.697 0.306 1.175 56339608
24.705 0.065 1.176 58680136
24.704 0.636 1.175 136894240
24.726 4.842 1.174 94653512
24.700 5.357 1.175 21729556
24.709 9.208 1.176 84886400
24.713 3.044 1.185 11121631
42.017 6.744 2.829 8984736
42.017 3.601 2.832 19118780
42.017 2.231 2.818 25351962
42.017 1.960 2.829 16618220
42.017 1.667 2.832 195072784
42.017 0.868 2.832 127422712
42.017 0.707 2.841 104516832
42.017 4.817 2.832 188122736
42.017 4.429 2.829 16173647
29.944 2.883 1.631 49875888
29.944 4.825 1.628 40737984
29.944 1.477 1.625 230146848
34.471 0.729 1.613 71798528
34.471 0.861 1.613 23502866
34.471 1.213 1.613 53735416
34.535 4.996 1.614 10236492
34.497 4.826 1.610 10911510
34.516 5.470 1.610 31247064
34.504 8.576 1.611 25115128
34.501 9.119 1.609 14821437
55.373 5.013 5.449 42379408
55.392 1.633 5.449 45584160
55.370 1.198 5.449 30722578
55.384 0.721 5.450 28991844
55.324 8.565 5.454 11907528
55.369 9.116 5.449 71056120
55.362 9.482 5.451 13503960
26.002 3.679 0.595 19116650
26.029 4.962 0.596 38371224
26.072 3.263 0.596 9327588
26.445 8.574 0.603 10755111
26.039 8.769 0.599 10387263
26.073 9.294 0.598 15333612
25.896 9.889 0.598 6370347
46.359 0.620 1.566 67209504
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129.823 0.753 6.748 14540818
129.821 0.024 6.745 2036058
129.824 -0.129 6.748 3432118
129.848 0.865 6.751 9586521
128.704 6.736 6.597 15692247
128.836 1.793 6.590 2788920
128.699 0.892 6.595 11095485
128.708 0.743 6.597 4589748
128.851 -0.130 6.603 2931526
122.399 7.041 6.882 26906832
122.604 7.681 6.882 13444793
121.909 7.684 6.880 7068804
121.121 8.996 7.682 2718322
121.411 6.885 7.682 8629253
120.980 6.885 7.680 10588752
121.039 4.739 7.681 9156242
121.032 4.128 7.682 5152948
121.168 3.691 7.680 3864781
121.103 3.124 7.682 2736115
120.937 1.339 7.682 2918846
121.161 0.384 7.672 1722434
121.080 0.241 7.682 2957382
122.378 4.154 6.883 3784986
122.259 1.326 6.887 2768134
122.588 0.248 6.889 3125483
122.309 0.371 6.883 4094561
133.355 2.173 6.665 5541414
133.394 2.725 6.674 2922860
133.329 4.116 6.663 3564475
133.352 0.749 6.662 4743351
133.392 0.606 6.662 5609358
118.352 6.993 6.787 94790184
118.400 4.798 6.787 17767412
118.407 4.571 6.787 4307882
118.106 0.893 6.781 2761168
118.470 1.741 6.788 4719826
118.407 2.733 6.788 4278505
118.363 2.609 6.785 3928324
118.185 2.183 6.707 2359958
118.185 1.714 6.707 2787338
118.378 0.927 6.699 2225760
118.282 0.751 6.703 3203965
118.285 4.804 6.711 4344771
131.293 5.423 7.047 5052900
131.347 3.090 7.044 4389202
131.107 2.766 7.049 5411272
131.192 2.015 7.069 2091126
131.192 0.711 7.044 6938581
129.768 4.586 7.068 2907879
129.358 8.796 7.086 1767049
132.926 8.421 6.993 4853290
133.010 6.796 6.996 93421032
133.029 4.794 6.999 6148032
133.028 4.564 6.996 14492192
133.038 2.693 6.997 19014814
132.999 2.608 6.998 19819272
133.039 2.418 6.995 3723148
133.015 2.081 6.997 2451381
132.951 1.767 6.997 7394771
133.121 0.891 6.995 2263537
120.653 7.331 6.765 12768864
120.750 0.861 6.767 3233772
;
loop_
_Spectral_dim.ID
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 C 13 aliphatic . 5966 . . . 16051 2
2 H 1 all . 10416 . . . 16051 2
3 H 1 aliphatic . 16666 . . . 16051 2
stop_
save_
save_4D-C13_Noesy
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode 4D-C13_Noesy
_Spectral_peak_list.Entry_ID 16051
_Spectral_peak_list.ID 3
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 13
_Spectral_peak_list.Experiment_name '4D 1H-13C NOESY'
_Spectral_peak_list.Number_of_spectral_dimensions 4
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
w1 w2 w3 w4 Data Height
17.631 11.894 0.710 4.075 -176631
17.631 11.894 0.710 4.075 -176631
19.287 12.470 0.121 4.264 0
15.707 13.617 0.644 1.597 -56934
13.912 13.617 1.619 5.465 -46858
28.184 13.617 2.045 2.164 -21795
29.451 13.617 4.031 1.850 13956
23.938 13.617 1.609 0.699 -43124
20.960 13.617 3.911 1.295 -63663
20.994 13.617 3.913 1.537 -49924
22.599 13.617 3.915 0.755 401136
25.532 13.617 1.618 0.877 -52664
25.434 13.617 4.667 0.876 60825
27.097 13.617 3.914 1.680 46198
22.710 13.617 0.773 0.840 54978
18.911 13.617 4.722 0.614 31657
15.707 13.617 0.644 1.597 -56934
13.912 13.617 1.619 5.465 -46858
28.184 13.617 2.045 2.164 -21795
29.451 13.617 4.031 1.850 13956
23.938 13.617 1.609 0.699 -43124
20.960 13.617 3.911 1.295 -63663
20.994 13.617 3.913 1.537 -49924
22.599 13.617 3.915 0.755 401136
25.532 13.617 1.618 0.877 -52664
25.434 13.617 4.667 0.876 60825
27.097 13.617 3.914 1.680 46198
22.710 13.617 0.773 0.840 54978
18.911 13.617 4.722 0.614 31657
13.980 13.752 1.606 5.451 -41491
13.980 13.752 1.606 5.451 -41491
21.676 13.818 0.774 1.693 -89342
21.676 13.818 0.774 1.693 -89342
21.676 13.818 0.774 1.693 -89342
21.676 13.818 0.774 1.693 -89342
32.660 13.834 5.458 0.714 -23535
32.660 13.834 5.458 0.714 -23535
20.078 13.882 0.423 0.519 -239576
20.078 13.882 0.423 0.519 -239576
26.810 13.883 5.457 0.591 26772
26.810 13.883 5.457 0.591 26772
20.825 13.890 0.400 0.103 -126634
20.825 13.890 0.400 0.103 -126634
23.921 13.893 5.460 0.696 49030
23.921 13.893 5.460 0.696 49030
33.588 13.910 5.459 5.000 -50572
33.588 13.910 5.459 5.000 -50572
26.763 13.928 5.451 1.477 19313
26.763 13.928 5.451 1.477 19313
21.407 13.996 4.248 0.701 32127
21.407 13.996 4.248 0.701 32127
15.165 13.997 4.250 2.095 -90601
15.165 13.997 4.250 2.095 -90601
15.173 14.011 4.254 2.177 -89968
15.173 14.011 4.254 2.177 -89968
29.943 14.037 4.251 1.853 108613
29.943 14.037 4.251 1.853 108613
13.617 14.045 4.566 1.878 -56624
13.617 14.045 4.566 1.878 -56624
21.802 14.048 4.163 1.526 -101518
21.802 14.048 4.163 1.526 -101518
23.452 14.058 4.164 0.803 210083
23.452 14.058 4.164 0.803 210083
21.763 14.060 4.566 0.708 23410
21.763 14.060 4.566 0.708 23410
24.969 14.077 4.170 0.854 70954
24.969 14.077 4.170 0.854 70954
13.617 14.080 4.566 2.495 -31019
13.617 14.080 4.566 2.495 -31019
18.927 14.369 0.636 0.612 353108
18.927 14.369 0.636 0.612 353108
14.372 14.386 4.569 1.737 -30353
14.372 14.386 4.569 1.737 -30353
26.446 14.401 0.637 0.444 175019
26.446 14.401 0.637 0.444 175019
26.753 14.403 0.641 1.377 206575
26.753 14.403 0.641 1.377 206575
21.408 14.404 0.636 1.546 -105595
21.408 14.404 0.636 1.546 -105595
18.770 14.409 0.635 5.033 41985
18.770 14.409 0.635 5.033 41985
20.726 14.411 0.634 -0.377 232409
20.726 14.411 0.634 -0.377 232409
22.619 14.412 0.631 0.838 122354
22.619 14.412 0.631 0.838 122354
24.998 14.415 0.635 -0.127 69276
24.998 14.415 0.635 -0.127 69276
14.247 14.420 4.567 1.996 -24113
23.167 14.420 0.635 0.919 107569
14.247 14.420 4.567 1.996 -24113
23.167 14.420 0.635 0.919 107569
27.329 14.421 0.637 0.717 23832
27.329 14.421 0.637 0.717 23832
13.617 14.507 4.541 0.775 28629
13.617 14.507 4.541 0.775 28629
18.400 14.539 1.998 0.448 -201000
18.400 14.539 1.998 0.448 -201000
33.402 14.544 2.001 0.482 122236
33.402 14.544 2.001 0.482 122236
29.950 14.565 0.637 3.430 -22744
29.950 14.565 0.637 3.430 -22744
15.530 14.569 2.008 0.806 -47176
15.530 14.569 2.008 0.806 -47176
27.329 14.589 1.989 0.717 -25060
27.329 14.589 1.989 0.717 -25060
16.997 14.637 1.735 4.157 -88635
16.997 14.637 1.735 4.157 -88635
33.118 14.656 1.728 0.393 30231
33.118 14.656 1.728 0.393 30231
21.283 14.657 1.733 0.873 -351189
21.283 14.657 1.733 0.873 -351189
29.828 14.664 -0.291 6.678 74236
29.828 14.664 -0.291 6.678 74236
27.762 14.668 4.691 7.053 -26379
27.762 14.668 4.691 7.053 -26379
21.278 14.669 1.739 0.183 -46517
21.278 14.669 1.739 0.183 -46517
18.992 14.671 -0.290 0.610 -38951
18.992 14.671 -0.290 0.610 -38951
15.831 14.696 4.690 5.443 76562
15.831 14.696 4.690 5.443 76562
22.746 14.701 -0.285 0.754 -84283
22.746 14.701 -0.285 0.754 -84283
29.511 14.734 -0.207 7.002 500343
29.511 14.734 -0.207 7.002 500343
15.194 14.818 -0.214 4.574 -24863
15.194 14.818 -0.214 4.574 -24863
32.398 14.826 4.143 2.471 43810
32.398 14.826 4.143 2.471 43810
22.531 14.840 5.410 0.998 20462
22.531 14.840 5.410 0.998 20462
29.917 14.853 4.149 2.198 54371
22.653 14.853 4.148 0.739 18131
29.917 14.853 4.149 2.198 54371
22.653 14.853 4.148 0.739 18131
21.149 14.855 2.292 0.762 -393124
21.149 14.855 2.292 0.762 -393124
19.165 14.861 2.294 4.265 -158496
19.165 14.861 2.294 4.265 -158496
17.701 14.866 2.286 0.698 -364973
17.701 14.866 2.286 0.698 -364973
20.041 14.893 5.406 0.521 31675
20.041 14.893 5.406 0.521 31675
15.802 14.991 -0.298 4.106 -24492
15.802 14.991 -0.298 4.106 -24492
23.355 15.024 4.809 0.721 109777
23.355 15.024 4.809 0.721 109777
17.676 15.032 1.684 1.750 23083
17.676 15.032 1.684 1.750 23083
22.972 15.075 2.583 1.115 -33243
22.972 15.075 2.583 1.115 -33243
27.951 15.078 2.307 2.183 -26422
27.951 15.078 2.307 2.183 -26422
17.728 15.096 2.277 4.378 -33837
17.728 15.096 2.277 4.378 -33837
17.517 15.099 2.260 4.124 -158434
17.517 15.099 2.260 4.124 -158434
21.372 15.104 1.410 0.703 -51444
21.372 15.104 1.410 0.703 -51444
17.786 15.108 2.595 4.368 -38747
17.786 15.108 2.595 4.368 -38747
23.004 15.122 2.286 1.113 -53256
23.004 15.122 2.286 1.113 -53256
28.013 15.139 2.590 2.189 -31960
28.013 15.139 2.590 2.189 -31960
21.370 15.151 1.650 0.702 -37010
21.370 15.151 1.650 0.702 -37010
15.401 15.182 2.186 4.392 32165
15.401 15.182 2.186 4.392 32165
32.911 15.185 2.153 0.710 32349
32.911 15.185 2.153 0.710 32349
15.238 15.193 2.172 0.780 -69312
15.238 15.193 2.172 0.780 -69312
15.291 15.213 2.194 5.438 28695
15.291 15.213 2.194 5.438 28695
29.508 15.221 4.565 7.000 -137933
29.508 15.221 4.565 7.000 -137933
33.020 15.223 2.174 1.525 106802
33.020 15.223 2.174 1.525 106802
15.253 15.224 2.163 0.673 -51788
21.605 15.224 2.158 1.534 24292
15.253 15.224 2.163 0.673 -51788
21.605 15.224 2.158 1.534 24292
22.528 15.235 2.175 0.827 -77404
22.528 15.235 2.175 0.827 -77404
26.024 15.237 2.184 0.782 -77738
26.024 15.237 2.184 0.782 -77738
33.764 15.241 2.185 4.719 135228
33.764 15.241 2.185 4.719 135228
33.986 15.243 2.170 1.523 -225609
33.986 15.243 2.170 1.523 -225609
23.098 15.244 2.167 1.849 19282
23.098 15.244 2.167 1.849 19282
29.983 15.247 4.248 1.932 210884
29.983 15.247 4.248 1.932 210884
23.083 15.252 2.200 1.342 16682
23.083 15.252 2.200 1.342 16682
15.567 15.261 4.247 2.188 -78965
15.567 15.261 4.247 2.188 -78965
14.739 15.266 4.562 6.790 -21921
14.739 15.266 4.562 6.790 -21921
33.614 15.267 2.265 4.560 114121
33.614 15.267 2.265 4.560 114121
30.172 15.271 2.148 1.299 17922
30.172 15.271 2.148 1.299 17922
23.951 15.278 2.205 0.700 -29487
15.736 15.278 2.020 4.093 -73126
23.951 15.278 2.205 0.700 -29487
15.736 15.278 2.020 4.093 -73126
22.932 15.280 2.161 2.176 52453
22.932 15.280 2.161 2.176 52453
32.980 15.281 2.163 2.466 -42642
32.980 15.281 2.163 2.466 -42642
33.986 15.336 1.808 4.702 75882
33.986 15.336 1.808 4.702 75882
27.365 15.369 3.934 2.087 88974
27.365 15.369 3.934 2.087 88974
22.596 15.402 1.816 0.756 -48589
22.596 15.402 1.816 0.756 -48589
18.246 15.497 1.799 1.754 22976
18.246 15.497 1.799 1.754 22961
32.709 15.500 0.794 5.123 -55248
32.709 15.500 0.794 5.123 -55248
24.216 15.505 0.679 1.691 -34477
24.216 15.505 0.679 1.691 -34477
33.429 15.525 0.793 0.482 -194568
33.429 15.525 0.793 0.482 -194568
16.724 15.526 0.148 4.102 -11873
18.379 15.531 0.799 0.449 208216
18.379 15.531 0.799 0.449 208216
21.242 15.533 2.214 1.073 -51464
21.242 15.533 2.214 1.073 -51464
17.759 15.534 0.685 5.440 19360
17.759 15.534 0.685 5.440 19360
25.692 15.535 0.684 0.289 83017
25.692 15.535 0.684 0.289 83017
29.409 15.539 0.782 1.757 60321
29.409 15.539 0.782 1.757 60321
21.716 15.543 0.791 0.681 92427
21.716 15.543 0.791 0.681 92427
21.201 15.545 0.711 1.675 -95018
21.201 15.545 0.711 1.675 -95018
17.768 15.547 0.714 0.486 174436
17.768 15.547 0.714 0.486 174436
22.459 15.550 0.687 0.047 25160
22.459 15.550 0.687 0.047 25160
33.986 15.635 0.683 0.642 -149763
33.986 15.635 0.683 0.642 -149763
22.616 15.648 2.296 0.755 -115743
33.077 15.659 2.160 4.507 56868
33.077 15.659 2.160 4.507 56868
15.183 15.671 2.217 4.255 -79236
15.183 15.671 2.217 4.255 -79236
17.593 15.682 4.358 4.367 144658
13.617 15.682 2.140 4.418 -79107
17.593 15.682 4.358 4.367 144658
13.617 15.682 2.140 4.418 -79107
18.254 15.690 4.369 4.357 -14492
18.254 15.690 4.369 4.357 -14492
30.329 15.699 4.359 3.127 132448
30.329 15.699 4.359 3.127 132448
15.282 15.702 4.085 1.995 -65577
15.282 15.702 4.085 1.995 -65577
15.282 15.702 4.085 1.995 -65577
15.282 15.702 4.085 1.995 -65577
17.744 15.707 1.597 0.486 -151556
17.744 15.707 1.597 0.486 -151556
33.986 15.708 2.141 4.419 110756
33.986 15.708 2.141 4.419 110756
15.340 15.712 4.079 2.114 -68054
15.340 15.712 4.079 2.114 -68054
33.986 15.740 1.591 0.647 93453
27.303 15.749 2.152 2.097 -254156
27.303 15.749 2.152 2.097 -254156
15.817 15.772 4.358 5.123 32389
15.817 15.772 4.358 5.123 32389
13.504 15.816 2.150 4.483 -31824
13.504 15.816 2.150 4.483 -31824
29.398 15.821 2.381 6.998 17120
29.398 15.821 2.381 6.998 17120
15.739 15.827 4.352 5.437 22845
15.739 15.827 4.352 5.437 22845
15.209 15.829 2.155 3.938 -186164
15.209 15.829 2.155 3.938 -186164
27.735 15.835 5.438 7.050 -61558
27.735 15.835 5.438 7.050 -61558
27.735 15.835 5.438 7.050 -61558
27.735 15.835 5.438 7.050 -61558
22.805 15.848 5.430 0.693 31004
22.805 15.848 5.430 0.693 31004
29.471 15.867 2.716 6.997 18361
29.471 15.867 2.716 6.997 18361
33.793 15.878 2.724 4.007 134240
33.793 15.878 2.724 4.007 134240
13.617 15.881 1.967 4.485 -28349
13.617 15.881 1.967 4.485 -28349
24.915 15.910 4.105 1.080 48936
24.915 15.910 4.105 1.080 48936
16.063 15.922 4.101 5.120 58089
16.063 15.922 4.101 5.120 58089
33.794 15.936 2.397 4.009 83660
33.794 15.936 2.397 4.009 83660
19.000 15.978 4.117 0.613 22340
19.000 15.978 4.117 0.613 22340
23.168 15.996 5.112 2.167 -19759
23.168 15.996 5.112 2.167 -19759
29.779 16.000 4.109 6.681 -41634
29.779 16.000 4.109 6.681 -41634
16.033 16.029 -0.077 4.561 21471
16.033 16.029 -0.077 4.561 21471
15.839 16.054 -0.033 4.091 -35091
15.839 16.054 -0.033 4.091 -35091
29.925 16.071 5.123 6.682 -22963
29.925 16.071 5.123 6.682 -22963
15.952 16.108 5.117 4.111 54168
15.952 16.108 5.117 4.111 54168
19.022 16.119 5.113 0.611 23694
19.022 16.119 5.113 0.611 23694
26.674 16.121 5.122 1.470 36233
26.674 16.121 5.122 1.470 36233
23.193 16.192 4.682 0.919 148814
23.193 16.192 4.682 0.919 148814
26.780 16.193 4.683 0.672 37064
26.780 16.193 4.683 0.672 37064
21.311 16.260 4.741 0.184 22427
21.311 16.260 4.741 0.184 22427
33.192 16.270 4.737 0.386 -25143
33.192 16.270 4.737 0.386 -25143
32.963 16.280 3.097 4.510 141216
32.963 16.280 3.097 4.510 141216
32.964 16.289 2.796 4.510 133790
32.964 16.289 2.796 4.510 133790
20.083 16.299 4.737 4.072 104181
20.083 16.299 4.737 4.072 104181
17.531 16.320 4.733 7.682 -54593
17.531 16.320 4.733 7.682 -54593
22.575 16.344 5.125 0.832 56944
22.575 16.344 5.125 0.832 56944
23.666 16.377 4.732 7.206 -21244
23.666 16.377 4.732 7.206 -21244
25.807 16.582 3.701 0.972 38628
25.807 16.582 3.701 0.972 38628
20.413 16.583 5.133 4.061 109717
20.413 16.583 5.133 4.061 109717
22.541 16.589 5.139 3.977 55363
22.541 16.589 5.139 3.977 55363
28.306 16.609 3.699 1.995 55675
28.306 16.609 3.699 1.995 55675
21.831 16.616 3.700 0.712 192525
21.831 16.616 3.700 0.712 192525
30.437 16.638 3.698 2.500 53116
30.437 16.638 3.698 2.500 53116
22.754 16.854 0.894 3.555 112369
22.754 16.854 0.894 3.555 112369
31.555 16.856 0.898 2.256 43766
31.555 16.856 0.898 2.256 43766
18.341 16.888 0.898 1.332 170152
18.341 16.888 0.898 1.332 170152
26.780 16.894 0.900 0.671 144142
26.780 16.894 0.900 0.671 144142
22.099 16.904 0.901 1.320 -21855
22.099 16.904 0.901 1.320 -21855
32.680 16.936 5.328 0.710 -21712
32.680 16.936 5.328 0.710 -21712
21.289 16.949 0.329 0.867 -49036
21.289 16.949 0.329 0.867 -49036
16.618 17.000 3.879 5.145 20156
16.618 17.000 3.879 5.145 20156
14.641 17.001 4.153 1.737 -77285
14.641 17.001 4.153 1.737 -77285
20.271 17.021 4.148 4.326 64814
20.271 17.021 4.148 4.326 64814
21.331 17.022 4.154 0.863 146978
21.331 17.022 4.154 0.863 146978
17.424 17.058 0.883 4.486 21826
17.424 17.058 0.883 4.486 21826
21.312 17.071 4.155 0.179 27129
21.312 17.071 4.155 0.179 27129
20.420 17.081 3.873 4.064 130219
20.420 17.081 3.873 4.064 130219
18.291 17.146 3.872 0.564 28025
18.291 17.146 3.872 0.564 28025
22.324 17.191 4.390 4.128 19455
22.324 17.191 4.390 4.128 19455
17.633 17.261 0.892 4.075 167681
17.633 17.261 0.892 4.075 167681
22.599 17.271 4.483 0.756 19999
22.599 17.271 4.483 0.756 19999
13.879 17.275 4.763 0.410 -30588
13.879 17.275 4.763 0.410 -30588
25.367 17.283 4.473 1.344 28202
25.367 17.283 4.473 1.344 28202
17.288 17.289 4.148 5.353 22360
17.288 17.289 4.148 5.353 22360
32.604 17.291 0.894 0.714 -396299
32.604 17.291 0.894 0.714 -396299
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22.785 17.320 4.478 3.553 210708
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27.099 17.321 0.895 1.238 71184
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17.450 17.348 4.186 5.431 19873
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32.688 17.363 4.226 3.972 -145531
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14.875 17.370 4.761 5.409 128764
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32.420 17.377 4.213 1.829 61490
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24.573 17.398 4.225 1.507 30462
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17.281 17.399 4.390 5.346 15596
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32.591 17.630 4.072 0.714 -244573
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30.963 17.809 0.515 3.394 28176
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22.118 17.880 4.587 4.132 146761
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17.412 17.895 0.538 4.489 27734
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20.201 17.905 4.616 4.286 26657
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28.445 17.964 0.518 1.329 39644
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32.359 18.021 4.087 1.833 86096
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22.774 18.024 4.087 3.552 195411
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33.652 18.033 0.842 0.709 -310093
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29.082 18.073 4.089 1.760 39275
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22.680 18.249 1.751 3.555 -54796
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21.687 18.256 0.556 0.680 278836
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22.480 18.265 0.559 0.998 222463
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32.646 18.346 1.333 3.972 -282916
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26.700 18.590 0.824 1.021 75641
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26.764 18.628 5.032 1.379 34055
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20.145 18.814 0.773 4.592 50324
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16.892 19.100 4.652 0.901 144344
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33.986 19.485 4.422 4.428 100694
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21.275 20.401 2.625 0.879 -143367
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32.349 20.441 4.065 1.763 13068
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22.764 20.583 4.561 0.692 146934
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20.806 33.425 0.478 1.123 -144030
20.806 33.425 0.478 1.123 -144030
21.566 33.426 5.007 1.173 28017
21.566 33.426 5.007 1.173 28017
22.731 33.429 0.476 0.740 -172345
22.731 33.429 0.476 0.740 -172345
26.448 33.431 5.012 0.443 -103473
26.448 33.431 5.012 0.443 -103473
22.473 33.432 0.477 0.998 -127658
22.473 33.432 0.477 0.998 -127658
21.477 33.435 5.006 1.667 28238
21.477 33.435 5.006 1.667 28238
14.488 33.439 0.478 1.999 78431
14.488 33.439 0.478 1.999 78431
32.431 33.442 2.376 2.467 39253
32.431 33.442 2.376 2.467 39253
26.075 33.449 0.472 0.605 -210895
26.075 33.449 0.472 0.605 -210895
19.015 33.457 5.009 0.615 -33915
19.015 33.457 5.009 0.615 -33915
27.885 33.463 5.008 1.392 -64377
27.885 33.463 5.008 1.392 -64377
22.874 33.479 4.703 1.504 32628
22.874 33.479 4.703 1.504 32628
15.532 33.484 0.478 0.680 -67754
15.532 33.484 0.478 0.680 -67754
23.279 33.495 1.789 2.540 -16940
23.279 33.495 1.789 2.540 -16940
22.995 33.507 4.432 1.113 -37899
22.995 33.507 4.432 1.113 -37899
19.811 33.523 5.028 0.648 -30951
19.811 33.523 5.028 0.648 -30951
13.617 33.537 1.828 5.842 29741
13.617 33.537 1.828 5.842 29741
26.093 33.548 1.836 0.605 18071
26.093 33.548 1.836 0.605 18071
18.764 33.555 4.441 0.771 -20395
18.764 33.555 4.441 0.771 -20395
33.574 33.556 2.091 4.484 11421
33.574 33.556 2.091 4.484 11421
23.067 33.559 4.992 1.352 23941
18.245 33.559 1.821 0.562 47147
23.067 33.559 4.992 1.352 23941
18.245 33.559 1.821 0.562 47147
27.921 33.560 4.435 1.700 -79046
27.921 33.560 4.435 1.700 -79046
25.572 33.571 4.946 0.875 -46770
25.572 33.571 4.946 0.875 -46770
23.949 33.574 4.992 0.699 -166245
23.949 33.574 4.992 0.699 -166245
26.122 33.576 4.433 0.607 -22486
26.122 33.576 4.433 0.607 -22486
26.158 33.577 4.950 0.602 -140393
26.158 33.577 4.950 0.602 -140393
33.365 33.583 2.352 1.513 -37636
26.037 33.583 4.991 0.781 -53091
26.037 33.583 4.991 0.781 -53091
33.365 33.583 2.352 1.513 -37636
25.601 33.587 4.945 1.439 56487
25.601 33.587 4.945 1.439 56487
20.075 33.595 5.019 0.514 -24284
20.075 33.595 5.019 0.514 -24284
23.106 33.600 4.998 1.853 17661
23.106 33.600 4.998 1.853 17661
32.918 33.605 5.013 0.709 21837
32.918 33.605 5.013 0.709 21837
31.062 33.615 5.040 3.395 -41365
31.062 33.615 5.040 3.395 -41359
25.805 33.619 1.824 0.288 26790
25.805 33.619 1.824 0.288 26790
13.807 33.624 4.988 5.459 -53895
13.807 33.624 4.988 5.459 -53895
20.277 33.646 4.734 2.914 79170
20.277 33.646 4.734 2.914 79170
15.552 33.647 1.843 0.678 21226
15.552 33.647 1.843 0.678 21226
29.593 33.651 4.555 1.856 -77892
29.593 33.651 4.555 1.856 -77892
18.883 33.653 4.725 0.772 -29191
18.883 33.653 4.725 0.772 -29191
31.117 33.665 2.020 3.397 33015
31.117 33.665 2.020 3.397 33015
21.287 33.666 5.013 0.183 -17882
21.287 33.666 5.013 0.183 -17882
20.034 33.672 2.289 0.519 28076
20.034 33.672 2.289 0.519 28076
21.162 33.684 4.728 0.762 -165749
21.162 33.684 4.728 0.762 -165749
20.120 33.690 2.024 0.519 28021
20.120 33.690 2.024 0.519 28021
21.641 33.695 4.729 1.044 -24864
21.641 33.695 4.729 1.044 -24864
15.585 33.715 0.658 0.803 -38577
15.585 33.715 0.658 0.803 -38577
31.986 33.744 4.393 1.976 -77633
31.986 33.744 4.393 1.976 -77608
32.015 33.746 4.398 1.812 -65303
32.015 33.746 4.398 1.812 -65303
22.832 33.760 4.107 0.695 -90998
22.832 33.760 4.107 0.695 -90998
28.339 33.771 2.345 1.998 159256
28.339 33.771 2.345 1.998 159256
20.650 33.809 0.708 4.211 -58948
20.650 33.809 0.708 4.211 -58948
15.316 33.814 0.646 0.677 -156129
15.316 33.814 0.646 0.677 -156129
29.075 33.827 2.345 2.031 326096
29.075 33.827 2.345 2.031 326096
28.999 33.883 4.840 1.527 -22888
28.999 33.883 4.840 1.527 -22888
28.339 33.938 2.052 1.998 123832
28.339 33.938 2.052 1.998 123832
25.267 33.986 3.917 0.886 -80388
33.986 33.986 4.681 0.634 -23825
17.690 33.986 4.673 0.696 -26999
15.223 33.986 4.715 2.188 148476
25.802 33.986 2.044 0.975 39256
25.890 33.986 2.299 0.973 19021
25.831 33.986 4.417 0.974 -65600
17.830 33.986 0.739 1.773 92982
26.771 33.986 0.743 1.030 -197478
17.826 33.986 1.874 0.847 36678
17.953 33.986 0.705 0.846 -349683
24.711 33.986 0.646 1.180 -124306
19.218 33.986 4.685 2.338 25619
30.832 33.986 4.861 5.714 61576
21.269 33.986 4.702 0.878 -40993
15.437 33.986 0.779 1.815 50416
15.386 33.986 4.697 1.816 68592
25.014 33.986 0.656 5.357 27809
22.479 33.986 0.698 0.043 -23280
25.735 33.986 0.643 0.288 -31802
25.804 33.986 5.836 0.287 -13769
13.617 33.986 0.674 5.850 -17667
23.280 33.986 5.836 2.539 31904
28.176 33.986 0.777 6.605 42375
17.680 33.986 0.665 5.438 -49342
15.701 33.986 4.418 2.144 109309
16.899 33.986 0.775 0.901 -372859
28.940 33.986 4.854 1.232 -35503
28.903 33.986 4.853 1.545 -27754
32.355 33.986 4.859 1.797 -44450
26.472 33.986 0.786 0.445 -41337
23.805 33.986 1.613 0.702 30254
28.341 33.986 2.045 2.011 128782
29.075 33.986 2.342 2.031 326096
25.683 33.986 3.930 1.262 -14936
24.997 33.986 0.781 -0.127 -183001
19.845 33.986 0.785 0.651 -115307
19.852 33.986 5.821 0.647 -12330
33.704 33.986 0.711 1.823 46294
26.553 33.986 0.782 0.849 -86978
18.961 33.986 4.725 0.612 -45120
32.604 33.986 1.616 0.713 -93473
21.297 33.986 0.706 0.834 -188112
25.267 33.986 3.917 0.886 -80388
33.986 33.986 4.681 0.634 -23772
17.690 33.986 4.673 0.696 -26999
15.223 33.986 4.715 2.188 148476
25.802 33.986 2.044 0.975 39256
25.890 33.986 2.299 0.973 18941
25.831 33.986 4.417 0.974 -65600
17.830 33.986 0.739 1.773 92982
26.771 33.986 0.743 1.030 -197478
17.826 33.986 1.874 0.847 36678
17.953 33.986 0.705 0.846 -349683
24.711 33.986 0.646 1.180 -124306
19.218 33.986 4.685 2.338 25619
30.832 33.986 4.861 5.714 61576
21.269 33.986 4.702 0.878 -40993
15.437 33.986 0.779 1.815 50416
15.386 33.986 4.697 1.816 68592
25.014 33.986 0.656 5.357 27809
22.479 33.986 0.698 0.043 -23280
25.735 33.986 0.643 0.288 -31802
25.804 33.986 5.836 0.287 -13769
13.617 33.986 0.674 5.850 -17667
23.280 33.986 5.836 2.539 31904
28.176 33.986 0.777 6.605 42375
17.680 33.986 0.665 5.438 -49342
15.701 33.986 4.418 2.144 109309
16.899 33.986 0.775 0.901 -372859
28.940 33.986 4.854 1.232 -35503
28.903 33.986 4.853 1.545 -27754
32.355 33.986 4.859 1.797 -44450
26.472 33.986 0.786 0.445 -41337
23.805 33.986 1.613 0.702 30254
28.341 33.986 2.045 2.011 128782
29.075 33.986 2.342 2.031 326096
25.683 33.986 3.930 1.262 -14936
24.997 33.986 0.781 -0.127 -183001
19.845 33.986 0.785 0.651 -115307
19.852 33.986 5.821 0.647 -12245
33.704 33.986 0.711 1.823 46294
26.553 33.986 0.782 0.849 -86978
18.961 33.986 4.725 0.612 -45120
32.604 33.986 1.616 0.713 -93473
21.297 33.986 0.706 0.834 -188112
33.318 33.986 0.730 1.521 38198
33.318 33.986 0.730 1.521 38198
32.223 35.770 2.128 4.739 95912
32.223 35.770 2.128 4.739 95912
20.771 50.606 3.727 4.259 -24053
20.771 50.606 3.727 4.259 -24053
25.277 56.336 4.798 0.902 24353
25.277 56.336 4.798 0.902 24353
19.085 56.639 4.563 2.590 -57454
19.085 56.639 4.563 2.590 -57454
24.863 57.346 4.110 1.344 34866
24.863 57.346 4.110 1.344 34866
25.419 59.427 4.087 1.347 68878
25.407 59.427 4.088 1.416 72877
25.407 59.427 4.088 1.416 72877
25.419 59.427 4.087 1.347 68878
25.383 64.101 3.548 1.414 49983
25.383 64.101 3.548 1.414 49983
16.211 118.789 7.176 4.532 -23588
16.211 118.789 7.176 4.532 -23588
17.786 120.729 7.251 7.074 37438
17.786 120.729 7.251 7.074 37438
21.085 122.285 6.869 7.049 94590
21.085 122.285 6.869 7.049 94590
32.617 123.532 -0.103 5.179 100533
32.617 123.532 -0.103 5.179 100533
14.843 127.270 0.332 5.408 -19565
14.843 127.270 0.332 5.408 -19565
27.620 131.063 0.056 7.056 445627
27.620 131.063 0.056 7.056 445627
;
loop_
_Spectral_dim.ID
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 C 13 aliphatic . 3131 . . . 16051 3
2 C 13 aliphatic . 3131 . . . 16051 3
3 H 1 aliphatic . 4197 . . . 16051 3
4 H 1 aliphatic . 8000 . . . 16051 3
stop_
save_