data_6173
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 6173
_Entry.Title
;
PfR48 final project
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2004-04-05
_Entry.Accession_date 2004-04-07
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_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 David Snyder . . . 6173
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 2 6173
coupling_constants 1 6173
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 396 6173
'15N chemical shifts' 93 6173
'1H chemical shifts' 656 6173
'coupling constants' 42 6173
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
2 . . 2009-07-08 2004-04-05 update BMRB 'added time domain data' 6173
1 . . 2006-02-26 2004-04-05 original author 'original release' 6173
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2LP6 'BMRB Entry Tracking System' 6173
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 6173
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title 'Solution Structure of the 50S Ribosomal Protein L35Ae from Pyrococcus furiosus: Northeast Strucutral Genomics Consortium target: Pfr48'
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev .
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 David Snyder . . . 6173 1
2 J. Aramini . M. . 6173 1
3 Y. Huang . J. . 6173 1
4 R. Xiao . . . 6173 1
5 J. Cort . R. . 6173 1
6 R. Shastry . . . 6173 1
7 L. Ma . C. . 6173 1
8 J. Liu . . . 6173 1
9 B. Rost . . . 6173 1
10 T. Acton . B. . 6173 1
11 M. Kennedy . A. . 6173 1
12 G. Montelione . T. . 6173 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_PfR48
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_PfR48
_Assembly.Entry_ID 6173
_Assembly.ID 1
_Assembly.Name PfR48
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states no
_Assembly.Ambiguous_chem_comp_sites no
_Assembly.Molecules_in_chemical_exchange no
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'all free'
_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 PfR48 1 $PfR48 . . yes native no no . . . 6173 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
yes PDB 1SQR . . . . . . 6173 1
yes SWP R35A_PYRFU . . . . . . 6173 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
PfR48 . 6173 1
stop_
loop_
_Assembly_bio_function.Biological_function
_Assembly_bio_function.Entry_ID
_Assembly_bio_function.Assembly_ID
'ribosomal tRNA binding protein also invloved in apoptosis' 6173 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_PfR48
_Entity.Sf_category entity
_Entity.Sf_framecode PfR48
_Entity.Entry_ID 6173
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name PfR48
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID 1
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MRIKGVVLSYRRSKENQHNN
VMIIKPLDVNSREEASKLIG
RLVLWKSPSGKILKGKIVRV
HGTKGAVRARFEKGLPGQAL
GDYVEIVLEHHHHHH
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 95
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 9735.5
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-01-28
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 1SQR . "Solution Structure Of The 50s Ribosomal Protein L35ae From Pyrococcus Furiosus. Northeast Structural Genomics Consortium Target" . . . . . 100.00 95 100.00 100.00 4.91e-60 . . . . 6173 1
2 no PDB 2LP6 . "Refined Solution Nmr Structure Of The 50s Ribosomal Protein L35ae From Pyrococcus Furiosus, Northeast Structural Genomics Conso" . . . . . 100.00 95 100.00 100.00 4.91e-60 . . . . 6173 1
3 no PDB 3J21 . "Promiscuous Behavior Of Proteins In Archaeal Ribosomes Revealed By Cryo-em: Implications For Evolution Of Eukaryotic Ribosomes " . . . . . 91.58 87 100.00 100.00 1.27e-53 . . . . 6173 1
4 no GB AAL81996 . "LSU ribosomal protein L35AE [Pyrococcus furiosus DSM 3638]" . . . . . 91.58 87 100.00 100.00 1.27e-53 . . . . 6173 1
5 no GB AFN04768 . "50S ribosomal protein L35Ae [Pyrococcus furiosus COM1]" . . . . . 91.58 87 100.00 100.00 1.27e-53 . . . . 6173 1
6 no REF NP_579601 . "50S ribosomal protein L35 [Pyrococcus furiosus DSM 3638]" . . . . . 91.58 87 100.00 100.00 1.27e-53 . . . . 6173 1
7 no REF WP_011013011 . "50S ribosomal protein L35 [Pyrococcus furiosus]" . . . . . 91.58 87 100.00 100.00 1.27e-53 . . . . 6173 1
8 no REF YP_006493060 . "50S ribosomal protein L35 [Pyrococcus furiosus COM1]" . . . . . 91.58 87 100.00 100.00 1.27e-53 . . . . 6173 1
9 no SP P20299 . "RecName: Full=50S ribosomal protein L35Ae [Pyrococcus woesei]" . . . . . 91.58 87 98.85 98.85 7.69e-53 . . . . 6173 1
10 no SP Q8TZV6 . "RecName: Full=50S ribosomal protein L35Ae [Pyrococcus furiosus DSM 3638]" . . . . . 91.58 87 100.00 100.00 1.27e-53 . . . . 6173 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 1 MET . 6173 1
2 2 ARG . 6173 1
3 3 ILE . 6173 1
4 4 LYS . 6173 1
5 5 GLY . 6173 1
6 6 VAL . 6173 1
7 7 VAL . 6173 1
8 8 LEU . 6173 1
9 9 SER . 6173 1
10 10 TYR . 6173 1
11 11 ARG . 6173 1
12 12 ARG . 6173 1
13 13 SER . 6173 1
14 14 LYS . 6173 1
15 15 GLU . 6173 1
16 16 ASN . 6173 1
17 17 GLN . 6173 1
18 18 HIS . 6173 1
19 19 ASN . 6173 1
20 20 ASN . 6173 1
21 21 VAL . 6173 1
22 22 MET . 6173 1
23 23 ILE . 6173 1
24 24 ILE . 6173 1
25 25 LYS . 6173 1
26 26 PRO . 6173 1
27 27 LEU . 6173 1
28 28 ASP . 6173 1
29 29 VAL . 6173 1
30 30 ASN . 6173 1
31 31 SER . 6173 1
32 32 ARG . 6173 1
33 33 GLU . 6173 1
34 34 GLU . 6173 1
35 35 ALA . 6173 1
36 36 SER . 6173 1
37 37 LYS . 6173 1
38 38 LEU . 6173 1
39 39 ILE . 6173 1
40 40 GLY . 6173 1
41 41 ARG . 6173 1
42 42 LEU . 6173 1
43 43 VAL . 6173 1
44 44 LEU . 6173 1
45 45 TRP . 6173 1
46 46 LYS . 6173 1
47 47 SER . 6173 1
48 48 PRO . 6173 1
49 49 SER . 6173 1
50 50 GLY . 6173 1
51 51 LYS . 6173 1
52 52 ILE . 6173 1
53 53 LEU . 6173 1
54 54 LYS . 6173 1
55 55 GLY . 6173 1
56 56 LYS . 6173 1
57 57 ILE . 6173 1
58 58 VAL . 6173 1
59 59 ARG . 6173 1
60 60 VAL . 6173 1
61 61 HIS . 6173 1
62 62 GLY . 6173 1
63 63 THR . 6173 1
64 64 LYS . 6173 1
65 65 GLY . 6173 1
66 66 ALA . 6173 1
67 67 VAL . 6173 1
68 68 ARG . 6173 1
69 69 ALA . 6173 1
70 70 ARG . 6173 1
71 71 PHE . 6173 1
72 72 GLU . 6173 1
73 73 LYS . 6173 1
74 74 GLY . 6173 1
75 75 LEU . 6173 1
76 76 PRO . 6173 1
77 77 GLY . 6173 1
78 78 GLN . 6173 1
79 79 ALA . 6173 1
80 80 LEU . 6173 1
81 81 GLY . 6173 1
82 82 ASP . 6173 1
83 83 TYR . 6173 1
84 84 VAL . 6173 1
85 85 GLU . 6173 1
86 86 ILE . 6173 1
87 87 VAL . 6173 1
88 88 LEU . 6173 1
89 89 GLU . 6173 1
90 90 HIS . 6173 1
91 91 HIS . 6173 1
92 92 HIS . 6173 1
93 93 HIS . 6173 1
94 94 HIS . 6173 1
95 95 HIS . 6173 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 6173 1
. ARG 2 2 6173 1
. ILE 3 3 6173 1
. LYS 4 4 6173 1
. GLY 5 5 6173 1
. VAL 6 6 6173 1
. VAL 7 7 6173 1
. LEU 8 8 6173 1
. SER 9 9 6173 1
. TYR 10 10 6173 1
. ARG 11 11 6173 1
. ARG 12 12 6173 1
. SER 13 13 6173 1
. LYS 14 14 6173 1
. GLU 15 15 6173 1
. ASN 16 16 6173 1
. GLN 17 17 6173 1
. HIS 18 18 6173 1
. ASN 19 19 6173 1
. ASN 20 20 6173 1
. VAL 21 21 6173 1
. MET 22 22 6173 1
. ILE 23 23 6173 1
. ILE 24 24 6173 1
. LYS 25 25 6173 1
. PRO 26 26 6173 1
. LEU 27 27 6173 1
. ASP 28 28 6173 1
. VAL 29 29 6173 1
. ASN 30 30 6173 1
. SER 31 31 6173 1
. ARG 32 32 6173 1
. GLU 33 33 6173 1
. GLU 34 34 6173 1
. ALA 35 35 6173 1
. SER 36 36 6173 1
. LYS 37 37 6173 1
. LEU 38 38 6173 1
. ILE 39 39 6173 1
. GLY 40 40 6173 1
. ARG 41 41 6173 1
. LEU 42 42 6173 1
. VAL 43 43 6173 1
. LEU 44 44 6173 1
. TRP 45 45 6173 1
. LYS 46 46 6173 1
. SER 47 47 6173 1
. PRO 48 48 6173 1
. SER 49 49 6173 1
. GLY 50 50 6173 1
. LYS 51 51 6173 1
. ILE 52 52 6173 1
. LEU 53 53 6173 1
. LYS 54 54 6173 1
. GLY 55 55 6173 1
. LYS 56 56 6173 1
. ILE 57 57 6173 1
. VAL 58 58 6173 1
. ARG 59 59 6173 1
. VAL 60 60 6173 1
. HIS 61 61 6173 1
. GLY 62 62 6173 1
. THR 63 63 6173 1
. LYS 64 64 6173 1
. GLY 65 65 6173 1
. ALA 66 66 6173 1
. VAL 67 67 6173 1
. ARG 68 68 6173 1
. ALA 69 69 6173 1
. ARG 70 70 6173 1
. PHE 71 71 6173 1
. GLU 72 72 6173 1
. LYS 73 73 6173 1
. GLY 74 74 6173 1
. LEU 75 75 6173 1
. PRO 76 76 6173 1
. GLY 77 77 6173 1
. GLN 78 78 6173 1
. ALA 79 79 6173 1
. LEU 80 80 6173 1
. GLY 81 81 6173 1
. ASP 82 82 6173 1
. TYR 83 83 6173 1
. VAL 84 84 6173 1
. GLU 85 85 6173 1
. ILE 86 86 6173 1
. VAL 87 87 6173 1
. LEU 88 88 6173 1
. GLU 89 89 6173 1
. HIS 90 90 6173 1
. HIS 91 91 6173 1
. HIS 92 92 6173 1
. HIS 93 93 6173 1
. HIS 94 94 6173 1
. HIS 95 95 6173 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 6173
_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 $PfR48 . 2261 . . . 'Pyrococcus furiosus' . . Archaea . Pyrococcus furiosus . . . . . . . . . . . . . . . . . . . . . 6173 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 6173
_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 $PfR48 . 'recombinant technology' . 'E. coli' . . Esherichia coli BL21pMgk . . . . . . . . . . . . . . . pET21 . . . . . . 6173 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_PfR48.NC.RX.7.85
_Sample.Sf_category sample
_Sample.Sf_framecode sample_PfR48.NC.RX.7.85
_Sample.Entry_ID 6173
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_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 PfR48 [U-15N] . . 1 $PfR48 . . 1.07 . . mM . . . . 6173 1
2 NaCl . . . . . . . 100 . . mM . . . . 6173 1
3 CaCl2 . . . . . . . 5 . . mM . . . . 6173 1
stop_
save_
save_sample_PfR48.NC5.LYD.III.3-6.5
_Sample.Sf_category sample
_Sample.Sf_framecode sample_PfR48.NC5.LYD.III.3-6.5
_Sample.Entry_ID 6173
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_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 PfR48 [U-15N] . . 1 $PfR48 . . 0.29 . . mM . . . . 6173 2
2 NaCl . . . . . . . 100 . . mM . . . . 6173 2
3 CaCl2 . . . . . . . 5 . . mM . . . . 6173 2
stop_
save_
save_sample_PfR48.PfR48-21.1-N-GF-6.5
_Sample.Sf_category sample
_Sample.Sf_framecode sample_PfR48.PfR48-21.1-N-GF-6.5
_Sample.Entry_ID 6173
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_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 PfR48 [U-15N] . . 1 $PfR48 . . 0.5 . . mM . . . . 6173 3
2 NaCl . . . . . . . 100 . . mM . . . . 6173 3
3 CaCl2 . . . . . . . 5 . . mM . . . . 6173 3
stop_
save_
#######################
# Sample conditions #
#######################
save_Sample_condition_list_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode Sample_condition_list_1
_Sample_condition_list.Entry_ID 6173
_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 6173 1
pH 6.5 0.5 pH 6173 1
temperature 293 0.1 K 6173 1
stop_
save_
############################
# Computer software used #
############################
save_VNMR_6.1C
_Software.Sf_category software
_Software.Sf_framecode VNMR_6.1C
_Software.Entry_ID 6173
_Software.ID 1
_Software.Name VNMR_6.1C
_Software.Version .
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data collection' 6173 1
stop_
save_
save_NmrPipe
_Software.Sf_category software
_Software.Sf_framecode NmrPipe
_Software.Entry_ID 6173
_Software.ID 2
_Software.Name NMRPipe
_Software.Version .
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data processing' 6173 2
stop_
save_
save_Sparky
_Software.Sf_category software
_Software.Sf_framecode Sparky
_Software.Entry_ID 6173
_Software.ID 3
_Software.Name SPARKY
_Software.Version .
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'spectral visualization' 6173 3
stop_
save_
save_AutoAssign
_Software.Sf_category software
_Software.Sf_framecode AutoAssign
_Software.Entry_ID 6173
_Software.ID 4
_Software.Name AutoAssign
_Software.Version .
_Software.Details .
save_
save_AutoStructure
_Software.Sf_category software
_Software.Sf_framecode AutoStructure
_Software.Entry_ID 6173
_Software.ID 5
_Software.Name AutoStruct
_Software.Version .
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'automated structural determination' 6173 5
stop_
save_
save_SPINS
_Software.Sf_category software
_Software.Sf_framecode SPINS
_Software.Entry_ID 6173
_Software.ID 6
_Software.Name SPINS
_Software.Version .
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'integrated spectral analysis software' 6173 6
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 6173
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer varian
_NMR_spectrometer.Model Baker
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_2
_NMR_spectrometer.Entry_ID 6173
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer varian
_NMR_spectrometer.Model 'UNITY Inova'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_NMR_spectrometer_3
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_3
_NMR_spectrometer.Entry_ID 6173
_NMR_spectrometer.ID 3
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 750
save_
save_NMR_spectrometer_4
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_4
_NMR_spectrometer.Entry_ID 6173
_NMR_spectrometer.ID 4
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_NMR_spectrometer_5
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_5
_NMR_spectrometer.Entry_ID 6173
_NMR_spectrometer.ID 5
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer varian
_NMR_spectrometer.Model 'UNITY Inova'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
#############################
# NMR applied experiments #
#############################
save_NMR_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode NMR_experiment_list
_Experiment_list.Entry_ID 6173
_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 HNCA yes 1 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 6173 1
2 HNCACB yes 2 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 6173 1
3 HNCO yes 3 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 6173 1
4 NH_HSQC yes 9 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 6173 1
5 NH_HSQC yes 4 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 6173 1
6 HNcoCA yes 5 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 6173 1
7 HNcoCACB yes 6 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 6173 1
8 HAcacoNH yes 7 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 6173 1
9 HAcaNH yes 8 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6173 1
10 'HNCACB (tau c)' yes 10 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 6173 1
11 HNHA yes 11 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 6173 1
12 CCONH yes 12 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6173 1
13 HCCH-COSY yes 13 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6173 1
14 HCCH-TOCSY yes 14 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6173 1
15 'hetNOE (t0)' yes 15 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6173 1
16 'hetNOE (t3)' yes 16 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6173 1
17 'CH_HSQC (aliph)' yes 32 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 6173 1
18 'CH_HSQC (aliph)' yes 17 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 6173 1
19 hbCBcgcdceHE yes 18 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6173 1
20 HBCBcgcdHD yes 19 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6173 1
21 MUSIC_gly_CA yes 20 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6173 1
22 MUSIC_gly_CO yes 21 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6173 1
23 'CH_HSQC (arom)' yes 22 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 6173 1
24 15N-edited_NOESY yes 23 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 6173 1
25 '13C_edited_NOESY (aliph)' yes 24 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 6173 1
26 '13C_edited_NOESY (D2O aliph)' yes 25 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 6173 1
27 '13C_edited_NOESY (arom)' yes 26 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 6173 1
28 HCCcoNH-TOCSY yes 27 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6173 1
29 4D-C13-NOESY yes 28 . . . . . . . . . 1 $sample_PfR48.NC.RX.7.85 . . . 1 $Sample_condition_list_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6173 1
30 'NH_HSQC (larger SW1)' yes 29 . . . . . . . . . 2 $sample_PfR48.NC5.LYD.III.3-6.5 . . . 1 $Sample_condition_list_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 6173 1
31 CH_HSQC yes 30 . . . . . . . . . 2 $sample_PfR48.NC5.LYD.III.3-6.5 . . . 1 $Sample_condition_list_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 6173 1
32 'NH_HSQC (15 min)' yes 31 . . . . . . . . . 3 $sample_PfR48.PfR48-21.1-N-GF-6.5 . . . 1 $Sample_condition_list_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 6173 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference
_Chem_shift_reference.Entry_ID 6173
_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 external indirect 0.251449530 external cylindrical parallel 1 $entry_citation . . 1 $entry_citation 6173 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 external cylindrical parallel 1 $entry_citation . . 1 $entry_citation 6173 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 external cylindrical parallel 1 $entry_citation . . 1 $entry_citation 6173 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_Assigned_chemical_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Assigned_chemical_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6173
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Sample_condition_list_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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
;
It was possible to see (often in different, but well registered, spectra) different
chemical shifts for the same atom. While the difference is slight, it is significant
in the sense that we would not see, e.g., TRP 45 HE1 at 11.467 but only around 11.479 and more often around
11.453.
7 VAL HG H 0.522 . 1
45 TRP CB C 31.328 . 1
45 TRP HE1 H 11.479 . 1
51 LYS QB H 1.638 . 1
27 LEU HD H 1.011 . 1
39 ILE ? ? 1.097 . 1
;
_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 $sample_PfR48.NC.RX.7.85 isotropic 6173 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 2 2 ARG HA H 1 5.159 . . 1 . . . . 2 ARG HA . 6173 1
2 . 1 1 2 2 ARG HB2 H 1 1.722 . . 1 . . . . 2 ARG HB2 . 6173 1
3 . 1 1 2 2 ARG HB3 H 1 1.722 . . 1 . . . . 2 ARG HB3 . 6173 1
4 . 1 1 2 2 ARG HG2 H 1 1.519 . . 1 . . . . 2 ARG HG2 . 6173 1
5 . 1 1 2 2 ARG HG3 H 1 1.519 . . 1 . . . . 2 ARG HG3 . 6173 1
6 . 1 1 2 2 ARG HD2 H 1 3.103 . . 1 . . . . 2 ARG HD2 . 6173 1
7 . 1 1 2 2 ARG HD3 H 1 3.103 . . 1 . . . . 2 ARG HD3 . 6173 1
8 . 1 1 2 2 ARG C C 13 175.500 . . 1 . . . . 2 ARG C . 6173 1
9 . 1 1 2 2 ARG CA C 13 55.183 . . 1 . . . . 2 ARG CA . 6173 1
10 . 1 1 2 2 ARG CB C 13 32.737 . . 1 . . . . 2 ARG CB . 6173 1
11 . 1 1 2 2 ARG CG C 13 27.483 . . 1 . . . . 2 ARG CG . 6173 1
12 . 1 1 2 2 ARG CD C 13 43.459 . . 1 . . . . 2 ARG CD . 6173 1
13 . 1 1 3 3 ILE H H 1 8.800 . . 1 . . . . 3 ILE H . 6173 1
14 . 1 1 3 3 ILE HA H 1 4.674 . . 1 . . . . 3 ILE HA . 6173 1
15 . 1 1 3 3 ILE HB H 1 2.019 . . 1 . . . . 3 ILE HB . 6173 1
16 . 1 1 3 3 ILE HG12 H 1 1.442 . . 2 . . . . 3 ILE HG12 . 6173 1
17 . 1 1 3 3 ILE HG13 H 1 1.081 . . 2 . . . . 3 ILE HG13 . 6173 1
18 . 1 1 3 3 ILE HG21 H 1 0.968 . . 1 . . . . 3 ILE HG2 . 6173 1
19 . 1 1 3 3 ILE HG22 H 1 0.968 . . 1 . . . . 3 ILE HG2 . 6173 1
20 . 1 1 3 3 ILE HG23 H 1 0.968 . . 1 . . . . 3 ILE HG2 . 6173 1
21 . 1 1 3 3 ILE HD11 H 1 0.863 . . 1 . . . . 3 ILE HD1 . 6173 1
22 . 1 1 3 3 ILE HD12 H 1 0.863 . . 1 . . . . 3 ILE HD1 . 6173 1
23 . 1 1 3 3 ILE HD13 H 1 0.863 . . 1 . . . . 3 ILE HD1 . 6173 1
24 . 1 1 3 3 ILE C C 13 175.000 . . 1 . . . . 3 ILE C . 6173 1
25 . 1 1 3 3 ILE CA C 13 60.050 . . 1 . . . . 3 ILE CA . 6173 1
26 . 1 1 3 3 ILE CB C 13 41.249 . . 1 . . . . 3 ILE CB . 6173 1
27 . 1 1 3 3 ILE CG1 C 13 27.060 . . 1 . . . . 3 ILE CG1 . 6173 1
28 . 1 1 3 3 ILE CG2 C 13 17.693 . . 1 . . . . 3 ILE CG2 . 6173 1
29 . 1 1 3 3 ILE CD1 C 13 13.864 . . 1 . . . . 3 ILE CD1 . 6173 1
30 . 1 1 3 3 ILE N N 15 119.700 . . 1 . . . . 3 ILE N . 6173 1
31 . 1 1 4 4 LYS H H 1 8.864 . . 1 . . . . 4 LYS H . 6173 1
32 . 1 1 4 4 LYS HA H 1 5.180 . . 1 . . . . 4 LYS HA . 6173 1
33 . 1 1 4 4 LYS HB2 H 1 1.854 . . 2 . . . . 4 LYS HB2 . 6173 1
34 . 1 1 4 4 LYS HB3 H 1 1.838 . . 2 . . . . 4 LYS HB3 . 6173 1
35 . 1 1 4 4 LYS HG2 H 1 1.598 . . 2 . . . . 4 LYS HG2 . 6173 1
36 . 1 1 4 4 LYS HG3 H 1 1.481 . . 2 . . . . 4 LYS HG3 . 6173 1
37 . 1 1 4 4 LYS HD2 H 1 1.482 . . 1 . . . . 4 LYS HD2 . 6173 1
38 . 1 1 4 4 LYS HD3 H 1 1.482 . . 1 . . . . 4 LYS HD3 . 6173 1
39 . 1 1 4 4 LYS HE2 H 1 2.709 . . 1 . . . . 4 LYS HE2 . 6173 1
40 . 1 1 4 4 LYS HE3 H 1 2.709 . . 1 . . . . 4 LYS HE3 . 6173 1
41 . 1 1 4 4 LYS C C 13 176.800 . . 1 . . . . 4 LYS C . 6173 1
42 . 1 1 4 4 LYS CA C 13 55.798 . . 1 . . . . 4 LYS CA . 6173 1
43 . 1 1 4 4 LYS CB C 13 35.471 . . 1 . . . . 4 LYS CB . 6173 1
44 . 1 1 4 4 LYS CG C 13 25.553 . . 1 . . . . 4 LYS CG . 6173 1
45 . 1 1 4 4 LYS CD C 13 29.320 . . 1 . . . . 4 LYS CD . 6173 1
46 . 1 1 4 4 LYS CE C 13 41.812 . . 1 . . . . 4 LYS CE . 6173 1
47 . 1 1 4 4 LYS N N 15 123.785 . . 1 . . . . 4 LYS N . 6173 1
48 . 1 1 5 5 GLY H H 1 8.662 . . 1 . . . . 5 GLY H . 6173 1
49 . 1 1 5 5 GLY HA2 H 1 3.122 . . 2 . . . . 5 GLY HA2 . 6173 1
50 . 1 1 5 5 GLY HA3 H 1 5.139 . . 2 . . . . 5 GLY HA3 . 6173 1
51 . 1 1 5 5 GLY C C 13 170.800 . . 1 . . . . 5 GLY C . 6173 1
52 . 1 1 5 5 GLY CA C 13 44.967 . . 1 . . . . 5 GLY CA . 6173 1
53 . 1 1 5 5 GLY N N 15 107.023 . . 1 . . . . 5 GLY N . 6173 1
54 . 1 1 6 6 VAL H H 1 8.168 . . 1 . . . . 6 VAL H . 6173 1
55 . 1 1 6 6 VAL HA H 1 4.936 . . 1 . . . . 6 VAL HA . 6173 1
56 . 1 1 6 6 VAL HB H 1 1.772 . . 1 . . . . 6 VAL HB . 6173 1
57 . 1 1 6 6 VAL HG11 H 1 0.788 . . 2 . . . . 6 VAL HG1 . 6173 1
58 . 1 1 6 6 VAL HG12 H 1 0.788 . . 2 . . . . 6 VAL HG1 . 6173 1
59 . 1 1 6 6 VAL HG13 H 1 0.788 . . 2 . . . . 6 VAL HG1 . 6173 1
60 . 1 1 6 6 VAL HG21 H 1 0.788 . . 2 . . . . 6 VAL HG2 . 6173 1
61 . 1 1 6 6 VAL HG22 H 1 0.788 . . 2 . . . . 6 VAL HG2 . 6173 1
62 . 1 1 6 6 VAL HG23 H 1 0.788 . . 2 . . . . 6 VAL HG2 . 6173 1
63 . 1 1 6 6 VAL C C 13 175.100 . . 1 . . . . 6 VAL C . 6173 1
64 . 1 1 6 6 VAL CA C 13 60.066 . . 1 . . . . 6 VAL CA . 6173 1
65 . 1 1 6 6 VAL CB C 13 35.501 . . 1 . . . . 6 VAL CB . 6173 1
66 . 1 1 6 6 VAL CG1 C 13 21.471 . . 1 . . . . 6 VAL CG1 . 6173 1
67 . 1 1 6 6 VAL CG2 C 13 21.471 . . 1 . . . . 6 VAL CG2 . 6173 1
68 . 1 1 6 6 VAL N N 15 118.930 . . 1 . . . . 6 VAL N . 6173 1
69 . 1 1 7 7 VAL H H 1 8.663 . . 1 . . . . 7 VAL H . 6173 1
70 . 1 1 7 7 VAL HA H 1 3.771 . . 1 . . . . 7 VAL HA . 6173 1
71 . 1 1 7 7 VAL HB H 1 2.288 . . 1 . . . . 7 VAL HB . 6173 1
72 . 1 1 7 7 VAL HG11 H 1 0.523 . . 1 . . . . 7 VAL HG1 . 6173 1
73 . 1 1 7 7 VAL HG12 H 1 0.523 . . 1 . . . . 7 VAL HG1 . 6173 1
74 . 1 1 7 7 VAL HG13 H 1 0.523 . . 1 . . . . 7 VAL HG1 . 6173 1
75 . 1 1 7 7 VAL HG21 H 1 0.715 . . 1 . . . . 7 VAL HG2 . 6173 1
76 . 1 1 7 7 VAL HG22 H 1 0.715 . . 1 . . . . 7 VAL HG2 . 6173 1
77 . 1 1 7 7 VAL HG23 H 1 0.715 . . 1 . . . . 7 VAL HG2 . 6173 1
78 . 1 1 7 7 VAL C C 13 176.02 . . 1 . . . . 7 VAL C . 6173 1
79 . 1 1 7 7 VAL CA C 13 63.861 . . 1 . . . . 7 VAL CA . 6173 1
80 . 1 1 7 7 VAL CB C 13 31.549 . . 1 . . . . 7 VAL CB . 6173 1
81 . 1 1 7 7 VAL CG1 C 13 22.263 . . 1 . . . . 7 VAL CG1 . 6173 1
82 . 1 1 7 7 VAL CG2 C 13 22.093 . . 1 . . . . 7 VAL CG2 . 6173 1
83 . 1 1 7 7 VAL N N 15 126.733 . . 1 . . . . 7 VAL N . 6173 1
84 . 1 1 8 8 LEU H H 1 9.077 . . 1 . . . . 8 LEU H . 6173 1
85 . 1 1 8 8 LEU HA H 1 4.396 . . 1 . . . . 8 LEU HA . 6173 1
86 . 1 1 8 8 LEU HB2 H 1 1.477 . . 1 . . . . 8 LEU HB2 . 6173 1
87 . 1 1 8 8 LEU HB3 H 1 1.477 . . 1 . . . . 8 LEU HB3 . 6173 1
88 . 1 1 8 8 LEU HG H 1 1.619 . . 1 . . . . 8 LEU HG . 6173 1
89 . 1 1 8 8 LEU HD11 H 1 0.766 . . 2 . . . . 8 LEU HD1 . 6173 1
90 . 1 1 8 8 LEU HD12 H 1 0.766 . . 2 . . . . 8 LEU HD1 . 6173 1
91 . 1 1 8 8 LEU HD13 H 1 0.766 . . 2 . . . . 8 LEU HD1 . 6173 1
92 . 1 1 8 8 LEU HD21 H 1 0.823 . . 2 . . . . 8 LEU HD2 . 6173 1
93 . 1 1 8 8 LEU HD22 H 1 0.823 . . 2 . . . . 8 LEU HD2 . 6173 1
94 . 1 1 8 8 LEU HD23 H 1 0.823 . . 2 . . . . 8 LEU HD2 . 6173 1
95 . 1 1 8 8 LEU C C 13 177.000 . . 1 . . . . 8 LEU C . 6173 1
96 . 1 1 8 8 LEU CA C 13 55.871 . . 1 . . . . 8 LEU CA . 6173 1
97 . 1 1 8 8 LEU CB C 13 43.337 . . 1 . . . . 8 LEU CB . 6173 1
98 . 1 1 8 8 LEU CG C 13 26.576 . . 1 . . . . 8 LEU CG . 6173 1
99 . 1 1 8 8 LEU CD1 C 13 22.402 . . 2 . . . . 8 LEU CD1 . 6173 1
100 . 1 1 8 8 LEU CD2 C 13 25.827 . . 2 . . . . 8 LEU CD2 . 6173 1
101 . 1 1 8 8 LEU N N 15 128.947 . . 1 . . . . 8 LEU N . 6173 1
102 . 1 1 9 9 SER H H 1 7.409 . . 1 . . . . 9 SER H . 6173 1
103 . 1 1 9 9 SER HA H 1 4.347 . . 1 . . . . 9 SER HA . 6173 1
104 . 1 1 9 9 SER HB2 H 1 3.813 . . 2 . . . . 9 SER HB2 . 6173 1
105 . 1 1 9 9 SER HB3 H 1 3.688 . . 2 . . . . 9 SER HB3 . 6173 1
106 . 1 1 9 9 SER C C 13 172.900 . . 1 . . . . 9 SER C . 6173 1
107 . 1 1 9 9 SER CA C 13 57.866 . . 1 . . . . 9 SER CA . 6173 1
108 . 1 1 9 9 SER CB C 13 64.173 . . 1 . . . . 9 SER CB . 6173 1
109 . 1 1 9 9 SER N N 15 108.469 . . 1 . . . . 9 SER N . 6173 1
110 . 1 1 10 10 TYR H H 1 8.464 . . 1 . . . . 10 TYR H . 6173 1
111 . 1 1 10 10 TYR HA H 1 5.064 . . 1 . . . . 10 TYR HA . 6173 1
112 . 1 1 10 10 TYR HB2 H 1 2.884 . . 2 . . . . 10 TYR HB2 . 6173 1
113 . 1 1 10 10 TYR HB3 H 1 2.719 . . 2 . . . . 10 TYR HB3 . 6173 1
114 . 1 1 10 10 TYR C C 13 175.400 . . 1 . . . . 10 TYR C . 6173 1
115 . 1 1 10 10 TYR CA C 13 57.258 . . 1 . . . . 10 TYR CA . 6173 1
116 . 1 1 10 10 TYR CB C 13 40.325 . . 1 . . . . 10 TYR CB . 6173 1
117 . 1 1 10 10 TYR N N 15 121.190 . . 1 . . . . 10 TYR N . 6173 1
118 . 1 1 11 11 ARG H H 1 8.545 . . 1 . . . . 11 ARG H . 6173 1
119 . 1 1 11 11 ARG HA H 1 4.441 . . 1 . . . . 11 ARG HA . 6173 1
120 . 1 1 11 11 ARG HB2 H 1 1.805 . . 2 . . . . 11 ARG HB2 . 6173 1
121 . 1 1 11 11 ARG HB3 H 1 1.468 . . 2 . . . . 11 ARG HB3 . 6173 1
122 . 1 1 11 11 ARG HG2 H 1 1.484 . . 2 . . . . 11 ARG HG2 . 6173 1
123 . 1 1 11 11 ARG HG3 H 1 1.501 . . 2 . . . . 11 ARG HG3 . 6173 1
124 . 1 1 11 11 ARG HD2 H 1 3.063 . . 2 . . . . 11 ARG HD2 . 6173 1
125 . 1 1 11 11 ARG HD3 H 1 3.110 . . 2 . . . . 11 ARG HD3 . 6173 1
126 . 1 1 11 11 ARG C C 13 174.800 . . 1 . . . . 11 ARG C . 6173 1
127 . 1 1 11 11 ARG CA C 13 55.308 . . 1 . . . . 11 ARG CA . 6173 1
128 . 1 1 11 11 ARG CB C 13 31.551 . . 1 . . . . 11 ARG CB . 6173 1
129 . 1 1 11 11 ARG CG C 13 27.252 . . 1 . . . . 11 ARG CG . 6173 1
130 . 1 1 11 11 ARG CD C 13 43.536 . . 1 . . . . 11 ARG CD . 6173 1
131 . 1 1 11 11 ARG N N 15 124.044 . . 1 . . . . 11 ARG N . 6173 1
132 . 1 1 12 12 ARG H H 1 8.562 . . 1 . . . . 12 ARG H . 6173 1
133 . 1 1 12 12 ARG HA H 1 4.577 . . 1 . . . . 12 ARG HA . 6173 1
134 . 1 1 12 12 ARG HB2 H 1 1.818 . . 2 . . . . 12 ARG HB2 . 6173 1
135 . 1 1 12 12 ARG HB3 H 1 1.745 . . 2 . . . . 12 ARG HB3 . 6173 1
136 . 1 1 12 12 ARG HG2 H 1 1.597 . . 2 . . . . 12 ARG HG2 . 6173 1
137 . 1 1 12 12 ARG HG3 H 1 1.602 . . 2 . . . . 12 ARG HG3 . 6173 1
138 . 1 1 12 12 ARG HD2 H 1 3.153 . . 2 . . . . 12 ARG HD2 . 6173 1
139 . 1 1 12 12 ARG HD3 H 1 3.151 . . 2 . . . . 12 ARG HD3 . 6173 1
140 . 1 1 12 12 ARG C C 13 176.100 . . 1 . . . . 12 ARG C . 6173 1
141 . 1 1 12 12 ARG CA C 13 55.803 . . 1 . . . . 12 ARG CA . 6173 1
142 . 1 1 12 12 ARG CB C 13 31.265 . . 1 . . . . 12 ARG CB . 6173 1
143 . 1 1 12 12 ARG CG C 13 27.323 . . 1 . . . . 12 ARG CG . 6173 1
144 . 1 1 12 12 ARG CD C 13 43.526 . . 1 . . . . 12 ARG CD . 6173 1
145 . 1 1 12 12 ARG N N 15 124.990 . . 1 . . . . 12 ARG N . 6173 1
146 . 1 1 13 13 SER H H 1 8.485 . . 1 . . . . 13 SER H . 6173 1
147 . 1 1 13 13 SER HA H 1 4.542 . . 1 . . . . 13 SER HA . 6173 1
148 . 1 1 13 13 SER HB2 H 1 4.006 . . 2 . . . . 13 SER HB2 . 6173 1
149 . 1 1 13 13 SER HB3 H 1 3.862 . . 2 . . . . 13 SER HB3 . 6173 1
150 . 1 1 13 13 SER C C 13 175.0 . . 1 . . . . 13 SER C . 6173 1
151 . 1 1 13 13 SER CA C 13 57.790 . . 1 . . . . 13 SER CA . 6173 1
152 . 1 1 13 13 SER CB C 13 64.666 . . 1 . . . . 13 SER CB . 6173 1
153 . 1 1 13 13 SER N N 15 118.058 . . 1 . . . . 13 SER N . 6173 1
154 . 1 1 14 14 LYS H H 1 8.663 . . 1 . . . . 14 LYS H . 6173 1
155 . 1 1 14 14 LYS HA H 1 4.178 . . 1 . . . . 14 LYS HA . 6173 1
156 . 1 1 14 14 LYS HB2 H 1 1.844 . . 1 . . . . 14 LYS HB2 . 6173 1
157 . 1 1 14 14 LYS HB3 H 1 1.844 . . 1 . . . . 14 LYS HB3 . 6173 1
158 . 1 1 14 14 LYS HG2 H 1 1.468 . . 1 . . . . 14 LYS HG2 . 6173 1
159 . 1 1 14 14 LYS HG3 H 1 1.468 . . 1 . . . . 14 LYS HG3 . 6173 1
160 . 1 1 14 14 LYS HD2 H 1 1.698 . . 1 . . . . 14 LYS HD2 . 6173 1
161 . 1 1 14 14 LYS HD3 H 1 1.698 . . 1 . . . . 14 LYS HD3 . 6173 1
162 . 1 1 14 14 LYS HE2 H 1 3.007 . . 1 . . . . 14 LYS HE2 . 6173 1
163 . 1 1 14 14 LYS HE3 H 1 3.007 . . 1 . . . . 14 LYS HE3 . 6173 1
164 . 1 1 14 14 LYS C C 13 177.400 . . 1 . . . . 14 LYS C . 6173 1
165 . 1 1 14 14 LYS CA C 13 57.997 . . 1 . . . . 14 LYS CA . 6173 1
166 . 1 1 14 14 LYS CB C 13 32.686 . . 1 . . . . 14 LYS CB . 6173 1
167 . 1 1 14 14 LYS CG C 13 24.932 . . 1 . . . . 14 LYS CG . 6173 1
168 . 1 1 14 14 LYS CD C 13 29.168 . . 1 . . . . 14 LYS CD . 6173 1
169 . 1 1 14 14 LYS CE C 13 42.235 . . 1 . . . . 14 LYS CE . 6173 1
170 . 1 1 14 14 LYS N N 15 123.187 . . 1 . . . . 14 LYS N . 6173 1
171 . 1 1 15 15 GLU H H 1 8.525 . . 1 . . . . 15 GLU H . 6173 1
172 . 1 1 15 15 GLU HA H 1 4.217 . . 1 . . . . 15 GLU HA . 6173 1
173 . 1 1 15 15 GLU HB2 H 1 2.063 . . 2 . . . . 15 GLU HB2 . 6173 1
174 . 1 1 15 15 GLU HB3 H 1 1.962 . . 2 . . . . 15 GLU HB3 . 6173 1
175 . 1 1 15 15 GLU HG2 H 1 2.274 . . 1 . . . . 15 GLU HG2 . 6173 1
176 . 1 1 15 15 GLU HG3 H 1 2.274 . . 1 . . . . 15 GLU HG3 . 6173 1
177 . 1 1 15 15 GLU C C 13 176.300 . . 1 . . . . 15 GLU C . 6173 1
178 . 1 1 15 15 GLU CA C 13 57.504 . . 1 . . . . 15 GLU CA . 6173 1
179 . 1 1 15 15 GLU CB C 13 29.654 . . 1 . . . . 15 GLU CB . 6173 1
180 . 1 1 15 15 GLU CG C 13 36.494 . . 1 . . . . 15 GLU CG . 6173 1
181 . 1 1 15 15 GLU N N 15 118.364 . . 1 . . . . 15 GLU N . 6173 1
182 . 1 1 16 16 ASN H H 1 7.985 . . 1 . . . . 16 ASN H . 6173 1
183 . 1 1 16 16 ASN HA H 1 4.690 . . 1 . . . . 16 ASN HA . 6173 1
184 . 1 1 16 16 ASN HB2 H 1 2.897 . . 2 . . . . 16 ASN HB2 . 6173 1
185 . 1 1 16 16 ASN HB3 H 1 2.737 . . 2 . . . . 16 ASN HB3 . 6173 1
186 . 1 1 16 16 ASN HD21 H 1 7.629 . . 1 . . . . 16 ASN HD21 . 6173 1
187 . 1 1 16 16 ASN HD22 H 1 6.996 . . 1 . . . . 16 ASN HD22 . 6173 1
188 . 1 1 16 16 ASN C C 13 175.100 . . 1 . . . . 16 ASN C . 6173 1
189 . 1 1 16 16 ASN CA C 13 53.363 . . 1 . . . . 16 ASN CA . 6173 1
190 . 1 1 16 16 ASN CB C 13 39.022 . . 1 . . . . 16 ASN CB . 6173 1
191 . 1 1 16 16 ASN N N 15 117.467 . . 1 . . . . 16 ASN N . 6173 1
192 . 1 1 16 16 ASN ND2 N 15 113 . . 1 . . . . 16 ASN ND2 . 6173 1
193 . 1 1 17 17 GLN H H 1 8.384 . . 1 . . . . 17 GLN H . 6173 1
194 . 1 1 17 17 GLN HA H 1 4.256 . . 1 . . . . 17 GLN HA . 6173 1
195 . 1 1 17 17 GLN HB2 H 1 2.189 . . 2 . . . . 17 GLN HB2 . 6173 1
196 . 1 1 17 17 GLN HB3 H 1 1.854 . . 2 . . . . 17 GLN HB3 . 6173 1
197 . 1 1 17 17 GLN HG2 H 1 2.193 . . 2 . . . . 17 GLN HG2 . 6173 1
198 . 1 1 17 17 GLN HG3 H 1 2.011 . . 2 . . . . 17 GLN HG3 . 6173 1
199 . 1 1 17 17 GLN HE21 H 1 7.483 . . 1 . . . . 17 GLN HE21 . 6173 1
200 . 1 1 17 17 GLN HE22 H 1 6.861 . . 1 . . . . 17 GLN HE22 . 6173 1
201 . 1 1 17 17 GLN C C 13 175.800 . . 1 . . . . 17 GLN C . 6173 1
202 . 1 1 17 17 GLN CA C 13 56.678 . . 1 . . . . 17 GLN CA . 6173 1
203 . 1 1 17 17 GLN CB C 13 29.071 . . 1 . . . . 17 GLN CB . 6173 1
204 . 1 1 17 17 GLN CG C 13 33.739 . . 1 . . . . 17 GLN CG . 6173 1
205 . 1 1 17 17 GLN N N 15 119.788 . . 1 . . . . 17 GLN N . 6173 1
206 . 1 1 17 17 GLN NE2 N 15 112.7 . . 1 . . . . 17 GLN NE2 . 6173 1
207 . 1 1 18 18 HIS H H 1 8.209 . . 1 . . . . 18 HIS H . 6173 1
208 . 1 1 18 18 HIS HA H 1 4.683 . . 1 . . . . 18 HIS HA . 6173 1
209 . 1 1 18 18 HIS HB2 H 1 3.199 . . 2 . . . . 18 HIS HB2 . 6173 1
210 . 1 1 18 18 HIS HB3 H 1 3.065 . . 2 . . . . 18 HIS HB3 . 6173 1
211 . 1 1 18 18 HIS C C 13 175.08 . . 1 . . . . 18 HIS C . 6173 1
212 . 1 1 18 18 HIS CA C 13 55.839 . . 1 . . . . 18 HIS CA . 6173 1
213 . 1 1 18 18 HIS CB C 13 30.460 . . 1 . . . . 18 HIS CB . 6173 1
214 . 1 1 18 18 HIS N N 15 117.984 . . 1 . . . . 18 HIS N . 6173 1
215 . 1 1 19 19 ASN H H 1 8.43 . . 1 . . . . 19 ASN H . 6173 1
216 . 1 1 19 19 ASN HA H 1 4.813 . . 1 . . . . 19 ASN HA . 6173 1
217 . 1 1 19 19 ASN HB2 H 1 2.731 . . 2 . . . . 19 ASN HB2 . 6173 1
218 . 1 1 19 19 ASN HB3 H 1 2.765 . . 2 . . . . 19 ASN HB3 . 6173 1
219 . 1 1 19 19 ASN HD21 H 1 6.758 . . 2 . . . . 19 ASN HD21 . 6173 1
220 . 1 1 19 19 ASN HD22 H 1 7.406 . . 2 . . . . 19 ASN HD22 . 6173 1
221 . 1 1 19 19 ASN C C 13 174.300 . . 1 . . . . 19 ASN C . 6173 1
222 . 1 1 19 19 ASN CA C 13 53.172 . . 1 . . . . 19 ASN CA . 6173 1
223 . 1 1 19 19 ASN CB C 13 38.503 . . 1 . . . . 19 ASN CB . 6173 1
224 . 1 1 19 19 ASN N N 15 122.3 . . 1 . . . . 19 ASN N . 6173 1
225 . 1 1 19 19 ASN ND2 N 15 111.8 . . 1 . . . . 19 ASN ND2 . 6173 1
226 . 1 1 20 20 ASN H H 1 8.353 . . 1 . . . . 20 ASN H . 6173 1
227 . 1 1 20 20 ASN HA H 1 4.828 . . 1 . . . . 20 ASN HA . 6173 1
228 . 1 1 20 20 ASN HB2 H 1 3.140 . . 2 . . . . 20 ASN HB2 . 6173 1
229 . 1 1 20 20 ASN HB3 H 1 2.532 . . 2 . . . . 20 ASN HB3 . 6173 1
230 . 1 1 20 20 ASN HD21 H 1 6.898 . . 2 . . . . 20 ASN HD21 . 6173 1
231 . 1 1 20 20 ASN HD22 H 1 7.258 . . 2 . . . . 20 ASN HD22 . 6173 1
232 . 1 1 20 20 ASN C C 13 174.000 . . 1 . . . . 20 ASN C . 6173 1
233 . 1 1 20 20 ASN CA C 13 53.292 . . 1 . . . . 20 ASN CA . 6173 1
234 . 1 1 20 20 ASN CB C 13 38.896 . . 1 . . . . 20 ASN CB . 6173 1
235 . 1 1 20 20 ASN N N 15 117.387 . . 1 . . . . 20 ASN N . 6173 1
236 . 1 1 20 20 ASN ND2 N 15 111.6 . . 1 . . . . 20 ASN ND2 . 6173 1
237 . 1 1 21 21 VAL H H 1 8.285 . . 1 . . . . 21 VAL H . 6173 1
238 . 1 1 21 21 VAL HA H 1 5.090 . . 1 . . . . 21 VAL HA . 6173 1
239 . 1 1 21 21 VAL HB H 1 1.961 . . 1 . . . . 21 VAL HB . 6173 1
240 . 1 1 21 21 VAL HG11 H 1 0.919 . . 2 . . . . 21 VAL HG1 . 6173 1
241 . 1 1 21 21 VAL HG12 H 1 0.919 . . 2 . . . . 21 VAL HG1 . 6173 1
242 . 1 1 21 21 VAL HG13 H 1 0.919 . . 2 . . . . 21 VAL HG1 . 6173 1
243 . 1 1 21 21 VAL HG21 H 1 0.781 . . 2 . . . . 21 VAL HG2 . 6173 1
244 . 1 1 21 21 VAL HG22 H 1 0.781 . . 2 . . . . 21 VAL HG2 . 6173 1
245 . 1 1 21 21 VAL HG23 H 1 0.781 . . 2 . . . . 21 VAL HG2 . 6173 1
246 . 1 1 21 21 VAL C C 13 174.900 . . 1 . . . . 21 VAL C . 6173 1
247 . 1 1 21 21 VAL CA C 13 61.409 . . 1 . . . . 21 VAL CA . 6173 1
248 . 1 1 21 21 VAL CB C 13 33.979 . . 1 . . . . 21 VAL CB . 6173 1
249 . 1 1 21 21 VAL CG1 C 13 21.548 . . 2 . . . . 21 VAL CG1 . 6173 1
250 . 1 1 21 21 VAL CG2 C 13 21.832 . . 2 . . . . 21 VAL CG2 . 6173 1
251 . 1 1 21 21 VAL N N 15 120.718 . . 1 . . . . 21 VAL N . 6173 1
252 . 1 1 22 22 MET H H 1 9.083 . . 1 . . . . 22 MET H . 6173 1
253 . 1 1 22 22 MET HA H 1 5.073 . . 1 . . . . 22 MET HA . 6173 1
254 . 1 1 22 22 MET HB2 H 1 1.859 . . 2 . . . . 22 MET HB2 . 6173 1
255 . 1 1 22 22 MET HB3 H 1 1.744 . . 2 . . . . 22 MET HB3 . 6173 1
256 . 1 1 22 22 MET HG2 H 1 2.088 . . 2 . . . . 22 MET HG2 . 6173 1
257 . 1 1 22 22 MET HG3 H 1 2.200 . . 2 . . . . 22 MET HG3 . 6173 1
258 . 1 1 22 22 MET C C 13 174.600 . . 1 . . . . 22 MET C . 6173 1
259 . 1 1 22 22 MET CA C 13 53.096 . . 1 . . . . 22 MET CA . 6173 1
260 . 1 1 22 22 MET CB C 13 36.612 . . 1 . . . . 22 MET CB . 6173 1
261 . 1 1 22 22 MET CG C 13 32.161 . . 1 . . . . 22 MET CG . 6173 1
262 . 1 1 22 22 MET N N 15 123.693 . . 1 . . . . 22 MET N . 6173 1
263 . 1 1 23 23 ILE H H 1 8.761 . . 1 . . . . 23 ILE H . 6173 1
264 . 1 1 23 23 ILE HA H 1 4.738 . . 1 . . . . 23 ILE HA . 6173 1
265 . 1 1 23 23 ILE HB H 1 1.741 . . 1 . . . . 23 ILE HB . 6173 1
266 . 1 1 23 23 ILE HG12 H 1 0.856 . . 2 . . . . 23 ILE HG12 . 6173 1
267 . 1 1 23 23 ILE HG13 H 1 0.747 . . 2 . . . . 23 ILE HG13 . 6173 1
268 . 1 1 23 23 ILE HG21 H 1 0.488 . . 1 . . . . 23 ILE HG2 . 6173 1
269 . 1 1 23 23 ILE HG22 H 1 0.488 . . 1 . . . . 23 ILE HG2 . 6173 1
270 . 1 1 23 23 ILE HG23 H 1 0.488 . . 1 . . . . 23 ILE HG2 . 6173 1
271 . 1 1 23 23 ILE HD11 H 1 0.130 . . 1 . . . . 23 ILE HD1 . 6173 1
272 . 1 1 23 23 ILE HD12 H 1 0.130 . . 1 . . . . 23 ILE HD1 . 6173 1
273 . 1 1 23 23 ILE HD13 H 1 0.130 . . 1 . . . . 23 ILE HD1 . 6173 1
274 . 1 1 23 23 ILE C C 13 175.500 . . 1 . . . . 23 ILE C . 6173 1
275 . 1 1 23 23 ILE CA C 13 59.230 . . 1 . . . . 23 ILE CA . 6173 1
276 . 1 1 23 23 ILE CB C 13 36.022 . . 1 . . . . 23 ILE CB . 6173 1
277 . 1 1 23 23 ILE CG1 C 13 27.352 . . 1 . . . . 23 ILE CG1 . 6173 1
278 . 1 1 23 23 ILE CG2 C 13 18.366 . . 1 . . . . 23 ILE CG2 . 6173 1
279 . 1 1 23 23 ILE CD1 C 13 10.658 . . 1 . . . . 23 ILE CD1 . 6173 1
280 . 1 1 23 23 ILE N N 15 123.898 . . 1 . . . . 23 ILE N . 6173 1
281 . 1 1 24 24 ILE H H 1 9.048 . . 1 . . . . 24 ILE H . 6173 1
282 . 1 1 24 24 ILE HA H 1 4.881 . . 1 . . . . 24 ILE HA . 6173 1
283 . 1 1 24 24 ILE HB H 1 1.426 . . 1 . . . . 24 ILE HB . 6173 1
284 . 1 1 24 24 ILE HG12 H 1 1.321 . . 2 . . . . 24 ILE HG12 . 6173 1
285 . 1 1 24 24 ILE HG13 H 1 0.961 . . 2 . . . . 24 ILE HG13 . 6173 1
286 . 1 1 24 24 ILE HG21 H 1 0.509 . . 1 . . . . 24 ILE HG2 . 6173 1
287 . 1 1 24 24 ILE HG22 H 1 0.509 . . 1 . . . . 24 ILE HG2 . 6173 1
288 . 1 1 24 24 ILE HG23 H 1 0.509 . . 1 . . . . 24 ILE HG2 . 6173 1
289 . 1 1 24 24 ILE HD11 H 1 0.749 . . 1 . . . . 24 ILE HD1 . 6173 1
290 . 1 1 24 24 ILE HD12 H 1 0.749 . . 1 . . . . 24 ILE HD1 . 6173 1
291 . 1 1 24 24 ILE HD13 H 1 0.749 . . 1 . . . . 24 ILE HD1 . 6173 1
292 . 1 1 24 24 ILE C C 13 174.200 . . 1 . . . . 24 ILE C . 6173 1
293 . 1 1 24 24 ILE CA C 13 58.256 . . 1 . . . . 24 ILE CA . 6173 1
294 . 1 1 24 24 ILE CB C 13 42.799 . . 1 . . . . 24 ILE CB . 6173 1
295 . 1 1 24 24 ILE CG1 C 13 28.104 . . 1 . . . . 24 ILE CG1 . 6173 1
296 . 1 1 24 24 ILE CG2 C 13 17.523 . . 1 . . . . 24 ILE CG2 . 6173 1
297 . 1 1 24 24 ILE CD1 C 13 15.857 . . 1 . . . . 24 ILE CD1 . 6173 1
298 . 1 1 24 24 ILE N N 15 126.877 . . 1 . . . . 24 ILE N . 6173 1
299 . 1 1 25 25 LYS H H 1 9.205 . . 1 . . . . 25 LYS H . 6173 1
300 . 1 1 25 25 LYS HA H 1 5.109 . . 1 . . . . 25 LYS HA . 6173 1
301 . 1 1 25 25 LYS HB2 H 1 2.139 . . 2 . . . . 25 LYS HB2 . 6173 1
302 . 1 1 25 25 LYS HB3 H 1 1.675 . . 2 . . . . 25 LYS HB3 . 6173 1
303 . 1 1 25 25 LYS HG2 H 1 1.480 . . 1 . . . . 25 LYS HG2 . 6173 1
304 . 1 1 25 25 LYS HG3 H 1 1.480 . . 1 . . . . 25 LYS HG3 . 6173 1
305 . 1 1 25 25 LYS CA C 13 50.908 . . 1 . . . . 25 LYS CA . 6173 1
306 . 1 1 25 25 LYS CB C 13 34.893 . . 1 . . . . 25 LYS CB . 6173 1
307 . 1 1 25 25 LYS N N 15 127.192 . . 1 . . . . 25 LYS N . 6173 1
308 . 1 1 26 26 PRO HA H 1 4.823 . . 1 . . . . 26 PRO HA . 6173 1
309 . 1 1 26 26 PRO HB2 H 1 2.052 . . 2 . . . . 26 PRO HB2 . 6173 1
310 . 1 1 26 26 PRO HB3 H 1 1.893 . . 2 . . . . 26 PRO HB3 . 6173 1
311 . 1 1 26 26 PRO HG2 H 1 2.014 . . 2 . . . . 26 PRO HG2 . 6173 1
312 . 1 1 26 26 PRO HG3 H 1 1.457 . . 2 . . . . 26 PRO HG3 . 6173 1
313 . 1 1 26 26 PRO HD2 H 1 4.358 . . 2 . . . . 26 PRO HD2 . 6173 1
314 . 1 1 26 26 PRO HD3 H 1 3.921 . . 2 . . . . 26 PRO HD3 . 6173 1
315 . 1 1 26 26 PRO C C 13 177.300 . . 1 . . . . 26 PRO C . 6173 1
316 . 1 1 26 26 PRO CA C 13 61.185 . . 1 . . . . 26 PRO CA . 6173 1
317 . 1 1 26 26 PRO CB C 13 30.625 . . 1 . . . . 26 PRO CB . 6173 1
318 . 1 1 26 26 PRO CG C 13 28.273 . . 1 . . . . 26 PRO CG . 6173 1
319 . 1 1 26 26 PRO CD C 13 53.005 . . 1 . . . . 26 PRO CD . 6173 1
320 . 1 1 27 27 LEU H H 1 8.861 . . 1 . . . . 27 LEU H . 6173 1
321 . 1 1 27 27 LEU HA H 1 4.101 . . 1 . . . . 27 LEU HA . 6173 1
322 . 1 1 27 27 LEU HB2 H 1 1.787 . . 2 . . . . 27 LEU HB2 . 6173 1
323 . 1 1 27 27 LEU HB3 H 1 1.608 . . 2 . . . . 27 LEU HB3 . 6173 1
324 . 1 1 27 27 LEU HG H 1 1.702 . . 1 . . . . 27 LEU HG . 6173 1
325 . 1 1 27 27 LEU HD11 H 1 1.018 . . 1 . . . . 27 LEU HD1 . 6173 1
326 . 1 1 27 27 LEU HD12 H 1 1.018 . . 1 . . . . 27 LEU HD1 . 6173 1
327 . 1 1 27 27 LEU HD13 H 1 1.018 . . 1 . . . . 27 LEU HD1 . 6173 1
328 . 1 1 27 27 LEU HD21 H 1 1.007 . . 1 . . . . 27 LEU HD2 . 6173 1
329 . 1 1 27 27 LEU HD22 H 1 1.007 . . 1 . . . . 27 LEU HD2 . 6173 1
330 . 1 1 27 27 LEU HD23 H 1 1.007 . . 1 . . . . 27 LEU HD2 . 6173 1
331 . 1 1 27 27 LEU C C 13 177.800 . . 1 . . . . 27 LEU C . 6173 1
332 . 1 1 27 27 LEU CA C 13 57.590 . . 1 . . . . 27 LEU CA . 6173 1
333 . 1 1 27 27 LEU CB C 13 40.721 . . 1 . . . . 27 LEU CB . 6173 1
334 . 1 1 27 27 LEU CG C 13 28.181 . . 1 . . . . 27 LEU CG . 6173 1
335 . 1 1 27 27 LEU CD1 C 13 25.389 . . 1 . . . . 27 LEU CD1 . 6173 1
336 . 1 1 27 27 LEU CD2 C 13 23.200 . . 1 . . . . 27 LEU CD2 . 6173 1
337 . 1 1 27 27 LEU N N 15 127.814 . . 1 . . . . 27 LEU N . 6173 1
338 . 1 1 28 28 ASP H H 1 8.818 . . 1 . . . . 28 ASP H . 6173 1
339 . 1 1 28 28 ASP HA H 1 4.477 . . 1 . . . . 28 ASP HA . 6173 1
340 . 1 1 28 28 ASP HB2 H 1 2.966 . . 2 . . . . 28 ASP HB2 . 6173 1
341 . 1 1 28 28 ASP HB3 H 1 2.698 . . 2 . . . . 28 ASP HB3 . 6173 1
342 . 1 1 28 28 ASP C C 13 174.500 . . 1 . . . . 28 ASP C . 6173 1
343 . 1 1 28 28 ASP CA C 13 55.417 . . 1 . . . . 28 ASP CA . 6173 1
344 . 1 1 28 28 ASP CB C 13 40.527 . . 1 . . . . 28 ASP CB . 6173 1
345 . 1 1 28 28 ASP N N 15 114.920 . . 1 . . . . 28 ASP N . 6173 1
346 . 1 1 29 29 VAL H H 1 7.004 . . 1 . . . . 29 VAL H . 6173 1
347 . 1 1 29 29 VAL HA H 1 4.164 . . 1 . . . . 29 VAL HA . 6173 1
348 . 1 1 29 29 VAL HB H 1 1.955 . . 1 . . . . 29 VAL HB . 6173 1
349 . 1 1 29 29 VAL HG11 H 1 0.976 . . 1 . . . . 29 VAL HG1 . 6173 1
350 . 1 1 29 29 VAL HG12 H 1 0.976 . . 1 . . . . 29 VAL HG1 . 6173 1
351 . 1 1 29 29 VAL HG13 H 1 0.976 . . 1 . . . . 29 VAL HG1 . 6173 1
352 . 1 1 29 29 VAL HG21 H 1 0.865 . . 1 . . . . 29 VAL HG2 . 6173 1
353 . 1 1 29 29 VAL HG22 H 1 0.865 . . 1 . . . . 29 VAL HG2 . 6173 1
354 . 1 1 29 29 VAL HG23 H 1 0.865 . . 1 . . . . 29 VAL HG2 . 6173 1
355 . 1 1 29 29 VAL C C 13 175.600 . . 1 . . . . 29 VAL C . 6173 1
356 . 1 1 29 29 VAL CA C 13 62.553 . . 1 . . . . 29 VAL CA . 6173 1
357 . 1 1 29 29 VAL CB C 13 32.711 . . 1 . . . . 29 VAL CB . 6173 1
358 . 1 1 29 29 VAL CG1 C 13 21.915 . . 1 . . . . 29 VAL CG1 . 6173 1
359 . 1 1 29 29 VAL CG2 C 13 21.015 . . 1 . . . . 29 VAL CG2 . 6173 1
360 . 1 1 29 29 VAL N N 15 119.689 . . 1 . . . . 29 VAL N . 6173 1
361 . 1 1 30 30 ASN H H 1 8.802 . . 1 . . . . 30 ASN H . 6173 1
362 . 1 1 30 30 ASN HA H 1 5.409 . . 1 . . . . 30 ASN HA . 6173 1
363 . 1 1 30 30 ASN HB2 H 1 3.110 . . 2 . . . . 30 ASN HB2 . 6173 1
364 . 1 1 30 30 ASN HB3 H 1 2.619 . . 2 . . . . 30 ASN HB3 . 6173 1
365 . 1 1 30 30 ASN HD21 H 1 7.879 . . 2 . . . . 30 ASN HD21 . 6173 1
366 . 1 1 30 30 ASN HD22 H 1 7.275 . . 2 . . . . 30 ASN HD22 . 6173 1
367 . 1 1 30 30 ASN C C 13 173.400 . . 1 . . . . 30 ASN C . 6173 1
368 . 1 1 30 30 ASN CA C 13 53.262 . . 1 . . . . 30 ASN CA . 6173 1
369 . 1 1 30 30 ASN CB C 13 41.186 . . 1 . . . . 30 ASN CB . 6173 1
370 . 1 1 30 30 ASN N N 15 122.479 . . 1 . . . . 30 ASN N . 6173 1
371 . 1 1 30 30 ASN ND2 N 15 117.3 . . 1 . . . . 30 ASN ND2 . 6173 1
372 . 1 1 31 31 SER H H 1 7.329 . . 1 . . . . 31 SER H . 6173 1
373 . 1 1 31 31 SER HA H 1 4.878 . . 1 . . . . 31 SER HA . 6173 1
374 . 1 1 31 31 SER HB2 H 1 4.352 . . 2 . . . . 31 SER HB2 . 6173 1
375 . 1 1 31 31 SER HB3 H 1 3.943 . . 2 . . . . 31 SER HB3 . 6173 1
376 . 1 1 31 31 SER C C 13 173.700 . . 1 . . . . 31 SER C . 6173 1
377 . 1 1 31 31 SER CA C 13 56.428 . . 1 . . . . 31 SER CA . 6173 1
378 . 1 1 31 31 SER CB C 13 67.086 . . 1 . . . . 31 SER CB . 6173 1
379 . 1 1 31 31 SER N N 15 109.583 . . 1 . . . . 31 SER N . 6173 1
380 . 1 1 32 32 ARG H H 1 8.688 . . 1 . . . . 32 ARG H . 6173 1
381 . 1 1 32 32 ARG HA H 1 4.229 . . 1 . . . . 32 ARG HA . 6173 1
382 . 1 1 32 32 ARG HB2 H 1 1.924 . . 2 . . . . 32 ARG HB2 . 6173 1
383 . 1 1 32 32 ARG HB3 H 1 1.838 . . 2 . . . . 32 ARG HB3 . 6173 1
384 . 1 1 32 32 ARG HG2 H 1 1.707 . . 1 . . . . 32 ARG HG2 . 6173 1
385 . 1 1 32 32 ARG HG3 H 1 1.707 . . 1 . . . . 32 ARG HG3 . 6173 1
386 . 1 1 32 32 ARG HD2 H 1 3.171 . . 1 . . . . 32 ARG HD2 . 6173 1
387 . 1 1 32 32 ARG HD3 H 1 3.171 . . 1 . . . . 32 ARG HD3 . 6173 1
388 . 1 1 32 32 ARG C C 13 178.300 . . 1 . . . . 32 ARG C . 6173 1
389 . 1 1 32 32 ARG CA C 13 58.914 . . 1 . . . . 32 ARG CA . 6173 1
390 . 1 1 32 32 ARG CB C 13 30.785 . . 1 . . . . 32 ARG CB . 6173 1
391 . 1 1 32 32 ARG CG C 13 27.285 . . 1 . . . . 32 ARG CG . 6173 1
392 . 1 1 32 32 ARG CD C 13 43.666 . . 1 . . . . 32 ARG CD . 6173 1
393 . 1 1 32 32 ARG N N 15 123.538 . . 1 . . . . 32 ARG N . 6173 1
394 . 1 1 33 33 GLU H H 1 9.157 . . 1 . . . . 33 GLU H . 6173 1
395 . 1 1 33 33 GLU HA H 1 4.012 . . 1 . . . . 33 GLU HA . 6173 1
396 . 1 1 33 33 GLU HB2 H 1 2.143 . . 2 . . . . 33 GLU HB2 . 6173 1
397 . 1 1 33 33 GLU HB3 H 1 1.955 . . 2 . . . . 33 GLU HB3 . 6173 1
398 . 1 1 33 33 GLU HG2 H 1 2.459 . . 2 . . . . 33 GLU HG2 . 6173 1
399 . 1 1 33 33 GLU HG3 H 1 2.276 . . 2 . . . . 33 GLU HG3 . 6173 1
400 . 1 1 33 33 GLU C C 13 179.900 . . 1 . . . . 33 GLU C . 6173 1
401 . 1 1 33 33 GLU CA C 13 60.615 . . 1 . . . . 33 GLU CA . 6173 1
402 . 1 1 33 33 GLU CB C 13 28.895 . . 1 . . . . 33 GLU CB . 6173 1
403 . 1 1 33 33 GLU CG C 13 37.062 . . 1 . . . . 33 GLU CG . 6173 1
404 . 1 1 33 33 GLU N N 15 120.517 . . 1 . . . . 33 GLU N . 6173 1
405 . 1 1 34 34 GLU H H 1 7.623 . . 1 . . . . 34 GLU H . 6173 1
406 . 1 1 34 34 GLU HA H 1 4.096 . . 1 . . . . 34 GLU HA . 6173 1
407 . 1 1 34 34 GLU HB2 H 1 2.167 . . 2 . . . . 34 GLU HB2 . 6173 1
408 . 1 1 34 34 GLU HB3 H 1 2.000 . . 2 . . . . 34 GLU HB3 . 6173 1
409 . 1 1 34 34 GLU HG2 H 1 2.409 . . 2 . . . . 34 GLU HG2 . 6173 1
410 . 1 1 34 34 GLU HG3 H 1 2.292 . . 2 . . . . 34 GLU HG3 . 6173 1
411 . 1 1 34 34 GLU C C 13 179.100 . . 1 . . . . 34 GLU C . 6173 1
412 . 1 1 34 34 GLU CA C 13 58.647 . . 1 . . . . 34 GLU CA . 6173 1
413 . 1 1 34 34 GLU CB C 13 30.874 . . 1 . . . . 34 GLU CB . 6173 1
414 . 1 1 34 34 GLU CG C 13 36.832 . . 1 . . . . 34 GLU CG . 6173 1
415 . 1 1 34 34 GLU N N 15 118.275 . . 1 . . . . 34 GLU N . 6173 1
416 . 1 1 35 35 ALA H H 1 8.131 . . 1 . . . . 35 ALA H . 6173 1
417 . 1 1 35 35 ALA HA H 1 3.828 . . 1 . . . . 35 ALA HA . 6173 1
418 . 1 1 35 35 ALA HB1 H 1 1.367 . . 1 . . . . 35 ALA HB . 6173 1
419 . 1 1 35 35 ALA HB2 H 1 1.367 . . 1 . . . . 35 ALA HB . 6173 1
420 . 1 1 35 35 ALA HB3 H 1 1.367 . . 1 . . . . 35 ALA HB . 6173 1
421 . 1 1 35 35 ALA C C 13 179.800 . . 1 . . . . 35 ALA C . 6173 1
422 . 1 1 35 35 ALA CA C 13 55.337 . . 1 . . . . 35 ALA CA . 6173 1
423 . 1 1 35 35 ALA CB C 13 18.361 . . 1 . . . . 35 ALA CB . 6173 1
424 . 1 1 35 35 ALA N N 15 123.551 . . 1 . . . . 35 ALA N . 6173 1
425 . 1 1 36 36 SER H H 1 8.279 . . 1 . . . . 36 SER H . 6173 1
426 . 1 1 36 36 SER HA H 1 3.875 . . 1 . . . . 36 SER HA . 6173 1
427 . 1 1 36 36 SER HB2 H 1 4.003 . . 1 . . . . 36 SER HB2 . 6173 1
428 . 1 1 36 36 SER HB3 H 1 4.003 . . 1 . . . . 36 SER HB3 . 6173 1
429 . 1 1 36 36 SER C C 13 176.100 . . 1 . . . . 36 SER C . 6173 1
430 . 1 1 36 36 SER CA C 13 61.573 . . 1 . . . . 36 SER CA . 6173 1
431 . 1 1 36 36 SER CB C 13 63.126 . . 1 . . . . 36 SER CB . 6173 1
432 . 1 1 36 36 SER N N 15 112.905 . . 1 . . . . 36 SER N . 6173 1
433 . 1 1 37 37 LYS H H 1 7.120 . . 1 . . . . 37 LYS H . 6173 1
434 . 1 1 37 37 LYS HA H 1 4.203 . . 1 . . . . 37 LYS HA . 6173 1
435 . 1 1 37 37 LYS HB2 H 1 2.016 . . 2 . . . . 37 LYS HB2 . 6173 1
436 . 1 1 37 37 LYS HB3 H 1 1.854 . . 2 . . . . 37 LYS HB3 . 6173 1
437 . 1 1 37 37 LYS HG2 H 1 1.490 . . 2 . . . . 37 LYS HG2 . 6173 1
438 . 1 1 37 37 LYS HG3 H 1 1.619 . . 2 . . . . 37 LYS HG3 . 6173 1
439 . 1 1 37 37 LYS HD2 H 1 1.715 . . 1 . . . . 37 LYS HD2 . 6173 1
440 . 1 1 37 37 LYS HD3 H 1 1.715 . . 1 . . . . 37 LYS HD3 . 6173 1
441 . 1 1 37 37 LYS HE2 H 1 2.953 . . 1 . . . . 37 LYS HE2 . 6173 1
442 . 1 1 37 37 LYS HE3 H 1 2.953 . . 1 . . . . 37 LYS HE3 . 6173 1
443 . 1 1 37 37 LYS C C 13 177.100 . . 1 . . . . 37 LYS C . 6173 1
444 . 1 1 37 37 LYS CA C 13 57.553 . . 1 . . . . 37 LYS CA . 6173 1
445 . 1 1 37 37 LYS CB C 13 32.178 . . 1 . . . . 37 LYS CB . 6173 1
446 . 1 1 37 37 LYS CG C 13 25.462 . . 1 . . . . 37 LYS CG . 6173 1
447 . 1 1 37 37 LYS CD C 13 29.467 . . 1 . . . . 37 LYS CD . 6173 1
448 . 1 1 37 37 LYS CE C 13 42.490 . . 1 . . . . 37 LYS CE . 6173 1
449 . 1 1 37 37 LYS N N 15 119.081 . . 1 . . . . 37 LYS N . 6173 1
450 . 1 1 38 38 LEU H H 1 7.877 . . 1 . . . . 38 LEU H . 6173 1
451 . 1 1 38 38 LEU HA H 1 4.138 . . 1 . . . . 38 LEU HA . 6173 1
452 . 1 1 38 38 LEU HB2 H 1 1.576 . . 2 . . . . 38 LEU HB2 . 6173 1
453 . 1 1 38 38 LEU HB3 H 1 2.010 . . 2 . . . . 38 LEU HB3 . 6173 1
454 . 1 1 38 38 LEU HG H 1 1.767 . . 1 . . . . 38 LEU HG . 6173 1
455 . 1 1 38 38 LEU HD11 H 1 0.911 . . 1 . . . . 38 LEU HD1 . 6173 1
456 . 1 1 38 38 LEU HD12 H 1 0.911 . . 1 . . . . 38 LEU HD1 . 6173 1
457 . 1 1 38 38 LEU HD13 H 1 0.911 . . 1 . . . . 38 LEU HD1 . 6173 1
458 . 1 1 38 38 LEU HD21 H 1 0.735 . . 1 . . . . 38 LEU HD2 . 6173 1
459 . 1 1 38 38 LEU HD22 H 1 0.735 . . 1 . . . . 38 LEU HD2 . 6173 1
460 . 1 1 38 38 LEU HD23 H 1 0.735 . . 1 . . . . 38 LEU HD2 . 6173 1
461 . 1 1 38 38 LEU C C 13 176.400 . . 1 . . . . 38 LEU C . 6173 1
462 . 1 1 38 38 LEU CA C 13 54.225 . . 1 . . . . 38 LEU CA . 6173 1
463 . 1 1 38 38 LEU CB C 13 42.192 . . 1 . . . . 38 LEU CB . 6173 1
464 . 1 1 38 38 LEU CG C 13 27.130 . . 1 . . . . 38 LEU CG . 6173 1
465 . 1 1 38 38 LEU CD1 C 13 26.604 . . 1 . . . . 38 LEU CD1 . 6173 1
466 . 1 1 38 38 LEU CD2 C 13 23.005 . . 1 . . . . 38 LEU CD2 . 6173 1
467 . 1 1 38 38 LEU N N 15 115.729 . . 1 . . . . 38 LEU N . 6173 1
468 . 1 1 39 39 ILE H H 1 6.958 . . 1 . . . . 39 ILE H . 6173 1
469 . 1 1 39 39 ILE HA H 1 3.252 . . 1 . . . . 39 ILE HA . 6173 1
470 . 1 1 39 39 ILE HB H 1 1.873 . . 1 . . . . 39 ILE HB . 6173 1
471 . 1 1 39 39 ILE HG12 H 1 1.104 . . 2 . . . . 39 ILE HG12 . 6173 1
472 . 1 1 39 39 ILE HG13 H 1 1.608 . . 2 . . . . 39 ILE HG13 . 6173 1
473 . 1 1 39 39 ILE HG21 H 1 0.890 . . 1 . . . . 39 ILE HG2 . 6173 1
474 . 1 1 39 39 ILE HG22 H 1 0.890 . . 1 . . . . 39 ILE HG2 . 6173 1
475 . 1 1 39 39 ILE HG23 H 1 0.890 . . 1 . . . . 39 ILE HG2 . 6173 1
476 . 1 1 39 39 ILE HD11 H 1 0.894 . . 1 . . . . 39 ILE HD1 . 6173 1
477 . 1 1 39 39 ILE HD12 H 1 0.894 . . 1 . . . . 39 ILE HD1 . 6173 1
478 . 1 1 39 39 ILE HD13 H 1 0.894 . . 1 . . . . 39 ILE HD1 . 6173 1
479 . 1 1 39 39 ILE C C 13 177.100 . . 1 . . . . 39 ILE C . 6173 1
480 . 1 1 39 39 ILE CA C 13 63.952 . . 1 . . . . 39 ILE CA . 6173 1
481 . 1 1 39 39 ILE CB C 13 36.338 . . 1 . . . . 39 ILE CB . 6173 1
482 . 1 1 39 39 ILE CG1 C 13 28.716 . . 1 . . . . 39 ILE CG1 . 6173 1
483 . 1 1 39 39 ILE CG2 C 13 17.681 . . 1 . . . . 39 ILE CG2 . 6173 1
484 . 1 1 39 39 ILE CD1 C 13 12.396 . . 1 . . . . 39 ILE CD1 . 6173 1
485 . 1 1 39 39 ILE N N 15 118.446 . . 1 . . . . 39 ILE N . 6173 1
486 . 1 1 40 40 GLY H H 1 8.877 . . 1 . . . . 40 GLY H . 6173 1
487 . 1 1 40 40 GLY HA2 H 1 4.518 . . 2 . . . . 40 GLY HA2 . 6173 1
488 . 1 1 40 40 GLY HA3 H 1 3.611 . . 2 . . . . 40 GLY HA3 . 6173 1
489 . 1 1 40 40 GLY C C 13 174.600 . . 1 . . . . 40 GLY C . 6173 1
490 . 1 1 40 40 GLY CA C 13 44.763 . . 1 . . . . 40 GLY CA . 6173 1
491 . 1 1 40 40 GLY N N 15 115.966 . . 1 . . . . 40 GLY N . 6173 1
492 . 1 1 41 41 ARG H H 1 7.939 . . 1 . . . . 41 ARG H . 6173 1
493 . 1 1 41 41 ARG HA H 1 4.481 . . 1 . . . . 41 ARG HA . 6173 1
494 . 1 1 41 41 ARG HB2 H 1 2.118 . . 2 . . . . 41 ARG HB2 . 6173 1
495 . 1 1 41 41 ARG HB3 H 1 1.888 . . 2 . . . . 41 ARG HB3 . 6173 1
496 . 1 1 41 41 ARG HG2 H 1 1.661 . . 2 . . . . 41 ARG HG2 . 6173 1
497 . 1 1 41 41 ARG HG3 H 1 1.710 . . 2 . . . . 41 ARG HG3 . 6173 1
498 . 1 1 41 41 ARG HD2 H 1 3.004 . . 1 . . . . 41 ARG HD2 . 6173 1
499 . 1 1 41 41 ARG HD3 H 1 3.004 . . 1 . . . . 41 ARG HD3 . 6173 1
500 . 1 1 41 41 ARG C C 13 175.000 . . 1 . . . . 41 ARG C . 6173 1
501 . 1 1 41 41 ARG CA C 13 56.298 . . 1 . . . . 41 ARG CA . 6173 1
502 . 1 1 41 41 ARG CB C 13 30.619 . . 1 . . . . 41 ARG CB . 6173 1
503 . 1 1 41 41 ARG CG C 13 28.122 . . 1 . . . . 41 ARG CG . 6173 1
504 . 1 1 41 41 ARG CD C 13 43.544 . . 1 . . . . 41 ARG CD . 6173 1
505 . 1 1 41 41 ARG N N 15 118.629 . . 1 . . . . 41 ARG N . 6173 1
506 . 1 1 42 42 LEU H H 1 8.400 . . 1 . . . . 42 LEU H . 6173 1
507 . 1 1 42 42 LEU HA H 1 4.773 . . 1 . . . . 42 LEU HA . 6173 1
508 . 1 1 42 42 LEU HB2 H 1 1.667 . . 2 . . . . 42 LEU HB2 . 6173 1
509 . 1 1 42 42 LEU HB3 H 1 1.607 . . 2 . . . . 42 LEU HB3 . 6173 1
510 . 1 1 42 42 LEU HG H 1 1.613 . . 1 . . . . 42 LEU HG . 6173 1
511 . 1 1 42 42 LEU HD11 H 1 1.009 . . 1 . . . . 42 LEU HD1 . 6173 1
512 . 1 1 42 42 LEU HD12 H 1 1.009 . . 1 . . . . 42 LEU HD1 . 6173 1
513 . 1 1 42 42 LEU HD13 H 1 1.009 . . 1 . . . . 42 LEU HD1 . 6173 1
514 . 1 1 42 42 LEU HD21 H 1 0.885 . . 1 . . . . 42 LEU HD2 . 6173 1
515 . 1 1 42 42 LEU HD22 H 1 0.885 . . 1 . . . . 42 LEU HD2 . 6173 1
516 . 1 1 42 42 LEU HD23 H 1 0.885 . . 1 . . . . 42 LEU HD2 . 6173 1
517 . 1 1 42 42 LEU C C 13 175.200 . . 1 . . . . 42 LEU C . 6173 1
518 . 1 1 42 42 LEU CA C 13 54.561 . . 1 . . . . 42 LEU CA . 6173 1
519 . 1 1 42 42 LEU CB C 13 44.111 . . 1 . . . . 42 LEU CB . 6173 1
520 . 1 1 42 42 LEU CG C 13 27.718 . . 1 . . . . 42 LEU CG . 6173 1
521 . 1 1 42 42 LEU CD1 C 13 24.758 . . 1 . . . . 42 LEU CD1 . 6173 1
522 . 1 1 42 42 LEU CD2 C 13 24.966 . . 1 . . . . 42 LEU CD2 . 6173 1
523 . 1 1 42 42 LEU N N 15 121.347 . . 1 . . . . 42 LEU N . 6173 1
524 . 1 1 43 43 VAL H H 1 8.189 . . 1 . . . . 43 VAL H . 6173 1
525 . 1 1 43 43 VAL HA H 1 5.045 . . 1 . . . . 43 VAL HA . 6173 1
526 . 1 1 43 43 VAL HB H 1 1.398 . . 1 . . . . 43 VAL HB . 6173 1
527 . 1 1 43 43 VAL HG11 H 1 0.774 . . 1 . . . . 43 VAL HG1 . 6173 1
528 . 1 1 43 43 VAL HG12 H 1 0.774 . . 1 . . . . 43 VAL HG1 . 6173 1
529 . 1 1 43 43 VAL HG13 H 1 0.774 . . 1 . . . . 43 VAL HG1 . 6173 1
530 . 1 1 43 43 VAL HG21 H 1 0.712 . . 1 . . . . 43 VAL HG2 . 6173 1
531 . 1 1 43 43 VAL HG22 H 1 0.712 . . 1 . . . . 43 VAL HG2 . 6173 1
532 . 1 1 43 43 VAL HG23 H 1 0.712 . . 1 . . . . 43 VAL HG2 . 6173 1
533 . 1 1 43 43 VAL C C 13 173.800 . . 1 . . . . 43 VAL C . 6173 1
534 . 1 1 43 43 VAL CA C 13 59.401 . . 1 . . . . 43 VAL CA . 6173 1
535 . 1 1 43 43 VAL CB C 13 34.438 . . 1 . . . . 43 VAL CB . 6173 1
536 . 1 1 43 43 VAL CG1 C 13 22.117 . . 1 . . . . 43 VAL CG1 . 6173 1
537 . 1 1 43 43 VAL CG2 C 13 22.452 . . 1 . . . . 43 VAL CG2 . 6173 1
538 . 1 1 43 43 VAL N N 15 120.875 . . 1 . . . . 43 VAL N . 6173 1
539 . 1 1 44 44 LEU H H 1 9.320 . . 1 . . . . 44 LEU H . 6173 1
540 . 1 1 44 44 LEU HA H 1 5.371 . . 1 . . . . 44 LEU HA . 6173 1
541 . 1 1 44 44 LEU HB2 H 1 1.337 . . 2 . . . . 44 LEU HB2 . 6173 1
542 . 1 1 44 44 LEU HB3 H 1 1.856 . . 2 . . . . 44 LEU HB3 . 6173 1
543 . 1 1 44 44 LEU HG H 1 1.575 . . 1 . . . . 44 LEU HG . 6173 1
544 . 1 1 44 44 LEU HD11 H 1 0.861 . . 2 . . . . 44 LEU HD1 . 6173 1
545 . 1 1 44 44 LEU HD12 H 1 0.861 . . 2 . . . . 44 LEU HD1 . 6173 1
546 . 1 1 44 44 LEU HD13 H 1 0.861 . . 2 . . . . 44 LEU HD1 . 6173 1
547 . 1 1 44 44 LEU HD21 H 1 0.861 . . 2 . . . . 44 LEU HD2 . 6173 1
548 . 1 1 44 44 LEU HD22 H 1 0.861 . . 2 . . . . 44 LEU HD2 . 6173 1
549 . 1 1 44 44 LEU HD23 H 1 0.861 . . 2 . . . . 44 LEU HD2 . 6173 1
550 . 1 1 44 44 LEU C C 13 176.600 . . 1 . . . . 44 LEU C . 6173 1
551 . 1 1 44 44 LEU CA C 13 53.600 . . 1 . . . . 44 LEU CA . 6173 1
552 . 1 1 44 44 LEU CB C 13 44.381 . . 1 . . . . 44 LEU CB . 6173 1
553 . 1 1 44 44 LEU CG C 13 27.335 . . 1 . . . . 44 LEU CG . 6173 1
554 . 1 1 44 44 LEU CD1 C 13 23.820 . . 1 . . . . 44 LEU CD1 . 6173 1
555 . 1 1 44 44 LEU CD2 C 13 23.820 . . 1 . . . . 44 LEU CD2 . 6173 1
556 . 1 1 44 44 LEU N N 15 124.820 . . 1 . . . . 44 LEU N . 6173 1
557 . 1 1 45 45 TRP H H 1 9.251 . . 1 . . . . 45 TRP H . 6173 1
558 . 1 1 45 45 TRP HA H 1 5.023 . . 1 . . . . 45 TRP HA . 6173 1
559 . 1 1 45 45 TRP HB2 H 1 2.792 . . 2 . . . . 45 TRP HB2 . 6173 1
560 . 1 1 45 45 TRP HB3 H 1 3.179 . . 2 . . . . 45 TRP HB3 . 6173 1
561 . 1 1 45 45 TRP C C 13 173.100 . . 1 . . . . 45 TRP C . 6173 1
562 . 1 1 45 45 TRP CA C 13 57.182 . . 1 . . . . 45 TRP CA . 6173 1
563 . 1 1 45 45 TRP CB C 13 31.353 . . 1 . . . . 45 TRP CB . 6173 1
564 . 1 1 45 45 TRP N N 15 125.368 . . 1 . . . . 45 TRP N . 6173 1
565 . 1 1 46 46 LYS H H 1 8.064 . . 1 . . . . 46 LYS H . 6173 1
566 . 1 1 46 46 LYS HA H 1 4.314 . . 1 . . . . 46 LYS HA . 6173 1
567 . 1 1 46 46 LYS HB2 H 1 1.521 . . 2 . . . . 46 LYS HB2 . 6173 1
568 . 1 1 46 46 LYS HB3 H 1 1.313 . . 2 . . . . 46 LYS HB3 . 6173 1
569 . 1 1 46 46 LYS HG2 H 1 1.190 . . 2 . . . . 46 LYS HG2 . 6173 1
570 . 1 1 46 46 LYS HG3 H 1 1.009 . . 2 . . . . 46 LYS HG3 . 6173 1
571 . 1 1 46 46 LYS HD2 H 1 1.553 . . 1 . . . . 46 LYS HD2 . 6173 1
572 . 1 1 46 46 LYS HD3 H 1 1.553 . . 1 . . . . 46 LYS HD3 . 6173 1
573 . 1 1 46 46 LYS HE2 H 1 2.864 . . 1 . . . . 46 LYS HE2 . 6173 1
574 . 1 1 46 46 LYS HE3 H 1 2.864 . . 1 . . . . 46 LYS HE3 . 6173 1
575 . 1 1 46 46 LYS C C 13 173.800 . . 1 . . . . 46 LYS C . 6173 1
576 . 1 1 46 46 LYS CA C 13 55.132 . . 1 . . . . 46 LYS CA . 6173 1
577 . 1 1 46 46 LYS CB C 13 32.714 . . 1 . . . . 46 LYS CB . 6173 1
578 . 1 1 46 46 LYS CG C 13 24.384 . . 1 . . . . 46 LYS CG . 6173 1
579 . 1 1 46 46 LYS CD C 13 29.434 . . 1 . . . . 46 LYS CD . 6173 1
580 . 1 1 46 46 LYS N N 15 129.540 . . 1 . . . . 46 LYS N . 6173 1
581 . 1 1 47 47 SER H H 1 8.208 . . 1 . . . . 47 SER H . 6173 1
582 . 1 1 47 47 SER HA H 1 3.245 . . 1 . . . . 47 SER HA . 6173 1
583 . 1 1 47 47 SER HB2 H 1 4.106 . . 2 . . . . 47 SER HB2 . 6173 1
584 . 1 1 47 47 SER HB3 H 1 3.493 . . 2 . . . . 47 SER HB3 . 6173 1
585 . 1 1 47 47 SER CA C 13 56.564 . . 1 . . . . 47 SER CA . 6173 1
586 . 1 1 47 47 SER CB C 13 63.584 . . 1 . . . . 47 SER CB . 6173 1
587 . 1 1 47 47 SER N N 15 124.549 . . 1 . . . . 47 SER N . 6173 1
588 . 1 1 48 48 PRO HA H 1 4.286 . . 1 . . . . 48 PRO HA . 6173 1
589 . 1 1 48 48 PRO HB2 H 1 2.439 . . 2 . . . . 48 PRO HB2 . 6173 1
590 . 1 1 48 48 PRO HB3 H 1 1.952 . . 2 . . . . 48 PRO HB3 . 6173 1
591 . 1 1 48 48 PRO HG2 H 1 2.184 . . 2 . . . . 48 PRO HG2 . 6173 1
592 . 1 1 48 48 PRO HG3 H 1 2.114 . . 2 . . . . 48 PRO HG3 . 6173 1
593 . 1 1 48 48 PRO HD2 H 1 3.854 . . 1 . . . . 48 PRO HD2 . 6173 1
594 . 1 1 48 48 PRO HD3 H 1 3.854 . . 1 . . . . 48 PRO HD3 . 6173 1
595 . 1 1 48 48 PRO C C 13 177.5 . . 1 . . . . 48 PRO C . 6173 1
596 . 1 1 48 48 PRO CA C 13 65.461 . . 1 . . . . 48 PRO CA . 6173 1
597 . 1 1 48 48 PRO CB C 13 31.723 . . 1 . . . . 48 PRO CB . 6173 1
598 . 1 1 48 48 PRO CG C 13 27.826 . . 1 . . . . 48 PRO CG . 6173 1
599 . 1 1 48 48 PRO CD C 13 50.999 . . 1 . . . . 48 PRO CD . 6173 1
600 . 1 1 49 49 SER H H 1 7.754 . . 1 . . . . 49 SER H . 6173 1
601 . 1 1 49 49 SER HA H 1 4.414 . . 1 . . . . 49 SER HA . 6173 1
602 . 1 1 49 49 SER HB2 H 1 4.041 . . 2 . . . . 49 SER HB2 . 6173 1
603 . 1 1 49 49 SER HB3 H 1 3.889 . . 2 . . . . 49 SER HB3 . 6173 1
604 . 1 1 49 49 SER C C 13 175.200 . . 1 . . . . 49 SER C . 6173 1
605 . 1 1 49 49 SER CA C 13 58.552 . . 1 . . . . 49 SER CA . 6173 1
606 . 1 1 49 49 SER CB C 13 63.820 . . 1 . . . . 49 SER CB . 6173 1
607 . 1 1 49 49 SER N N 15 109.7 . . 1 . . . . 49 SER N . 6173 1
608 . 1 1 50 50 GLY H H 1 8.194 . . 1 . . . . 50 GLY H . 6173 1
609 . 1 1 50 50 GLY HA2 H 1 3.314 . . 2 . . . . 50 GLY HA2 . 6173 1
610 . 1 1 50 50 GLY HA3 H 1 4.354 . . 2 . . . . 50 GLY HA3 . 6173 1
611 . 1 1 50 50 GLY C C 13 173.700 . . 1 . . . . 50 GLY C . 6173 1
612 . 1 1 50 50 GLY CA C 13 45.031 . . 1 . . . . 50 GLY CA . 6173 1
613 . 1 1 50 50 GLY N N 15 111.568 . . 1 . . . . 50 GLY N . 6173 1
614 . 1 1 51 51 LYS H H 1 7.246 . . 1 . . . . 51 LYS H . 6173 1
615 . 1 1 51 51 LYS HA H 1 4.246 . . 1 . . . . 51 LYS HA . 6173 1
616 . 1 1 51 51 LYS HB2 H 1 1.660 . . 2 . . . . 51 LYS HB2 . 6173 1
617 . 1 1 51 51 LYS HB3 H 1 1.603 . . 2 . . . . 51 LYS HB3 . 6173 1
618 . 1 1 51 51 LYS HG2 H 1 1.410 . . 2 . . . . 51 LYS HG2 . 6173 1
619 . 1 1 51 51 LYS HG3 H 1 1.316 . . 2 . . . . 51 LYS HG3 . 6173 1
620 . 1 1 51 51 LYS HD2 H 1 1.668 . . 1 . . . . 51 LYS HD2 . 6173 1
621 . 1 1 51 51 LYS HD3 H 1 1.668 . . 1 . . . . 51 LYS HD3 . 6173 1
622 . 1 1 51 51 LYS HE2 H 1 2.998 . . 1 . . . . 51 LYS HE2 . 6173 1
623 . 1 1 51 51 LYS HE3 H 1 2.998 . . 1 . . . . 51 LYS HE3 . 6173 1
624 . 1 1 51 51 LYS C C 13 175.900 . . 1 . . . . 51 LYS C . 6173 1
625 . 1 1 51 51 LYS CA C 13 55.948 . . 1 . . . . 51 LYS CA . 6173 1
626 . 1 1 51 51 LYS CB C 13 32.893 . . 1 . . . . 51 LYS CB . 6173 1
627 . 1 1 51 51 LYS CG C 13 24.974 . . 1 . . . . 51 LYS CG . 6173 1
628 . 1 1 51 51 LYS CD C 13 28.918 . . 1 . . . . 51 LYS CD . 6173 1
629 . 1 1 51 51 LYS CE C 13 42.342 . . 1 . . . . 51 LYS CE . 6173 1
630 . 1 1 51 51 LYS N N 15 120.424 . . 1 . . . . 51 LYS N . 6173 1
631 . 1 1 52 52 ILE H H 1 8.718 . . 1 . . . . 52 ILE H . 6173 1
632 . 1 1 52 52 ILE HA H 1 4.670 . . 1 . . . . 52 ILE HA . 6173 1
633 . 1 1 52 52 ILE HB H 1 1.870 . . 1 . . . . 52 ILE HB . 6173 1
634 . 1 1 52 52 ILE HG12 H 1 1.603 . . 2 . . . . 52 ILE HG12 . 6173 1
635 . 1 1 52 52 ILE HG13 H 1 1.082 . . 2 . . . . 52 ILE HG13 . 6173 1
636 . 1 1 52 52 ILE HG21 H 1 0.839 . . 1 . . . . 52 ILE HG2 . 6173 1
637 . 1 1 52 52 ILE HG22 H 1 0.839 . . 1 . . . . 52 ILE HG2 . 6173 1
638 . 1 1 52 52 ILE HG23 H 1 0.839 . . 1 . . . . 52 ILE HG2 . 6173 1
639 . 1 1 52 52 ILE HD11 H 1 0.805 . . 1 . . . . 52 ILE HD1 . 6173 1
640 . 1 1 52 52 ILE HD12 H 1 0.805 . . 1 . . . . 52 ILE HD1 . 6173 1
641 . 1 1 52 52 ILE HD13 H 1 0.805 . . 1 . . . . 52 ILE HD1 . 6173 1
642 . 1 1 52 52 ILE C C 13 176.100 . . 1 . . . . 52 ILE C . 6173 1
643 . 1 1 52 52 ILE CA C 13 60.261 . . 1 . . . . 52 ILE CA . 6173 1
644 . 1 1 52 52 ILE CB C 13 38.268 . . 1 . . . . 52 ILE CB . 6173 1
645 . 1 1 52 52 ILE CG1 C 13 27.734 . . 1 . . . . 52 ILE CG1 . 6173 1
646 . 1 1 52 52 ILE CG2 C 13 18.843 . . 1 . . . . 52 ILE CG2 . 6173 1
647 . 1 1 52 52 ILE CD1 C 13 12.186 . . 1 . . . . 52 ILE CD1 . 6173 1
648 . 1 1 52 52 ILE N N 15 125.588 . . 1 . . . . 52 ILE N . 6173 1
649 . 1 1 53 53 LEU H H 1 9.558 . . 1 . . . . 53 LEU H . 6173 1
650 . 1 1 53 53 LEU HA H 1 4.930 . . 1 . . . . 53 LEU HA . 6173 1
651 . 1 1 53 53 LEU HB2 H 1 2.187 . . 2 . . . . 53 LEU HB2 . 6173 1
652 . 1 1 53 53 LEU HB3 H 1 1.956 . . 2 . . . . 53 LEU HB3 . 6173 1
653 . 1 1 53 53 LEU HG H 1 1.958 . . 1 . . . . 53 LEU HG . 6173 1
654 . 1 1 53 53 LEU HD11 H 1 1.126 . . 1 . . . . 53 LEU HD1 . 6173 1
655 . 1 1 53 53 LEU HD12 H 1 1.126 . . 1 . . . . 53 LEU HD1 . 6173 1
656 . 1 1 53 53 LEU HD13 H 1 1.126 . . 1 . . . . 53 LEU HD1 . 6173 1
657 . 1 1 53 53 LEU HD21 H 1 1.043 . . 1 . . . . 53 LEU HD2 . 6173 1
658 . 1 1 53 53 LEU HD22 H 1 1.043 . . 1 . . . . 53 LEU HD2 . 6173 1
659 . 1 1 53 53 LEU HD23 H 1 1.043 . . 1 . . . . 53 LEU HD2 . 6173 1
660 . 1 1 53 53 LEU C C 13 175.800 . . 1 . . . . 53 LEU C . 6173 1
661 . 1 1 53 53 LEU CA C 13 54.305 . . 1 . . . . 53 LEU CA . 6173 1
662 . 1 1 53 53 LEU CB C 13 44.080 . . 1 . . . . 53 LEU CB . 6173 1
663 . 1 1 53 53 LEU CG C 13 28.891 . . 1 . . . . 53 LEU CG . 6173 1
664 . 1 1 53 53 LEU CD1 C 13 25.195 . . 1 . . . . 53 LEU CD1 . 6173 1
665 . 1 1 53 53 LEU CD2 C 13 24.358 . . 1 . . . . 53 LEU CD2 . 6173 1
666 . 1 1 53 53 LEU N N 15 131.583 . . 1 . . . . 53 LEU N . 6173 1
667 . 1 1 54 54 LYS H H 1 8.746 . . 1 . . . . 54 LYS H . 6173 1
668 . 1 1 54 54 LYS HA H 1 5.463 . . 1 . . . . 54 LYS HA . 6173 1
669 . 1 1 54 54 LYS HB2 H 1 1.829 . . 2 . . . . 54 LYS HB2 . 6173 1
670 . 1 1 54 54 LYS HB3 H 1 1.722 . . 2 . . . . 54 LYS HB3 . 6173 1
671 . 1 1 54 54 LYS HG2 H 1 1.341 . . 2 . . . . 54 LYS HG2 . 6173 1
672 . 1 1 54 54 LYS HG3 H 1 1.516 . . 2 . . . . 54 LYS HG3 . 6173 1
673 . 1 1 54 54 LYS HD2 H 1 1.711 . . 1 . . . . 54 LYS HD2 . 6173 1
674 . 1 1 54 54 LYS HD3 H 1 1.711 . . 1 . . . . 54 LYS HD3 . 6173 1
675 . 1 1 54 54 LYS HE2 H 1 2.925 . . 2 . . . . 54 LYS HE2 . 6173 1
676 . 1 1 54 54 LYS HE3 H 1 2.969 . . 2 . . . . 54 LYS HE3 . 6173 1
677 . 1 1 54 54 LYS C C 13 176.200 . . 1 . . . . 54 LYS C . 6173 1
678 . 1 1 54 54 LYS CA C 13 55.474 . . 1 . . . . 54 LYS CA . 6173 1
679 . 1 1 54 54 LYS CB C 13 35.349 . . 1 . . . . 54 LYS CB . 6173 1
680 . 1 1 54 54 LYS CG C 13 25.190 . . 1 . . . . 54 LYS CG . 6173 1
681 . 1 1 54 54 LYS CD C 13 29.741 . . 1 . . . . 54 LYS CD . 6173 1
682 . 1 1 54 54 LYS CE C 13 41.942 . . 1 . . . . 54 LYS CE . 6173 1
683 . 1 1 54 54 LYS N N 15 120.463 . . 1 . . . . 54 LYS N . 6173 1
684 . 1 1 55 55 GLY H H 1 9.217 . . 1 . . . . 55 GLY H . 6173 1
685 . 1 1 55 55 GLY HA2 H 1 4.347 . . 2 . . . . 55 GLY HA2 . 6173 1
686 . 1 1 55 55 GLY HA3 H 1 1.960 . . 2 . . . . 55 GLY HA3 . 6173 1
687 . 1 1 55 55 GLY C C 13 172.400 . . 1 . . . . 55 GLY C . 6173 1
688 . 1 1 55 55 GLY CA C 13 43.890 . . 1 . . . . 55 GLY CA . 6173 1
689 . 1 1 55 55 GLY N N 15 114.284 . . 1 . . . . 55 GLY N . 6173 1
690 . 1 1 56 56 LYS H H 1 8.015 . . 1 . . . . 56 LYS H . 6173 1
691 . 1 1 56 56 LYS HA H 1 5.145 . . 1 . . . . 56 LYS HA . 6173 1
692 . 1 1 56 56 LYS HB2 H 1 1.559 . . 1 . . . . 56 LYS HB2 . 6173 1
693 . 1 1 56 56 LYS HB3 H 1 1.559 . . 1 . . . . 56 LYS HB3 . 6173 1
694 . 1 1 56 56 LYS HG2 H 1 1.217 . . 1 . . . . 56 LYS HG2 . 6173 1
695 . 1 1 56 56 LYS HG3 H 1 1.217 . . 1 . . . . 56 LYS HG3 . 6173 1
696 . 1 1 56 56 LYS HD2 H 1 1.630 . . 1 . . . . 56 LYS HD2 . 6173 1
697 . 1 1 56 56 LYS HD3 H 1 1.630 . . 1 . . . . 56 LYS HD3 . 6173 1
698 . 1 1 56 56 LYS HE2 H 1 2.920 . . 1 . . . . 56 LYS HE2 . 6173 1
699 . 1 1 56 56 LYS HE3 H 1 2.920 . . 1 . . . . 56 LYS HE3 . 6173 1
700 . 1 1 56 56 LYS C C 13 176.000 . . 1 . . . . 56 LYS C . 6173 1
701 . 1 1 56 56 LYS CA C 13 54.614 . . 1 . . . . 56 LYS CA . 6173 1
702 . 1 1 56 56 LYS CB C 13 36.639 . . 1 . . . . 56 LYS CB . 6173 1
703 . 1 1 56 56 LYS CG C 13 24.623 . . 1 . . . . 56 LYS CG . 6173 1
704 . 1 1 56 56 LYS CD C 13 29.412 . . 1 . . . . 56 LYS CD . 6173 1
705 . 1 1 56 56 LYS CE C 13 41.559 . . 1 . . . . 56 LYS CE . 6173 1
706 . 1 1 56 56 LYS N N 15 118.868 . . 1 . . . . 56 LYS N . 6173 1
707 . 1 1 57 57 ILE H H 1 8.693 . . 1 . . . . 57 ILE H . 6173 1
708 . 1 1 57 57 ILE HA H 1 4.149 . . 1 . . . . 57 ILE HA . 6173 1
709 . 1 1 57 57 ILE HB H 1 2.176 . . 1 . . . . 57 ILE HB . 6173 1
710 . 1 1 57 57 ILE HG12 H 1 1.653 . . 1 . . . . 57 ILE HG12 . 6173 1
711 . 1 1 57 57 ILE HG13 H 1 1.653 . . 1 . . . . 57 ILE HG13 . 6173 1
712 . 1 1 57 57 ILE HG21 H 1 0.768 . . 1 . . . . 57 ILE HG2 . 6173 1
713 . 1 1 57 57 ILE HG22 H 1 0.768 . . 1 . . . . 57 ILE HG2 . 6173 1
714 . 1 1 57 57 ILE HG23 H 1 0.768 . . 1 . . . . 57 ILE HG2 . 6173 1
715 . 1 1 57 57 ILE HD11 H 1 0.788 . . 1 . . . . 57 ILE HD1 . 6173 1
716 . 1 1 57 57 ILE HD12 H 1 0.788 . . 1 . . . . 57 ILE HD1 . 6173 1
717 . 1 1 57 57 ILE HD13 H 1 0.788 . . 1 . . . . 57 ILE HD1 . 6173 1
718 . 1 1 57 57 ILE C C 13 177.200 . . 1 . . . . 57 ILE C . 6173 1
719 . 1 1 57 57 ILE CA C 13 62.915 . . 1 . . . . 57 ILE CA . 6173 1
720 . 1 1 57 57 ILE CB C 13 36.286 . . 1 . . . . 57 ILE CB . 6173 1
721 . 1 1 57 57 ILE CG1 C 13 28.942 . . 1 . . . . 57 ILE CG1 . 6173 1
722 . 1 1 57 57 ILE CG2 C 13 18.136 . . 1 . . . . 57 ILE CG2 . 6173 1
723 . 1 1 57 57 ILE CD1 C 13 14.463 . . 1 . . . . 57 ILE CD1 . 6173 1
724 . 1 1 57 57 ILE N N 15 124.413 . . 1 . . . . 57 ILE N . 6173 1
725 . 1 1 58 58 VAL H H 1 8.931 . . 1 . . . . 58 VAL H . 6173 1
726 . 1 1 58 58 VAL HA H 1 4.652 . . 1 . . . . 58 VAL HA . 6173 1
727 . 1 1 58 58 VAL HB H 1 2.298 . . 1 . . . . 58 VAL HB . 6173 1
728 . 1 1 58 58 VAL HG11 H 1 0.976 . . 1 . . . . 58 VAL HG1 . 6173 1
729 . 1 1 58 58 VAL HG12 H 1 0.976 . . 1 . . . . 58 VAL HG1 . 6173 1
730 . 1 1 58 58 VAL HG13 H 1 0.976 . . 1 . . . . 58 VAL HG1 . 6173 1
731 . 1 1 58 58 VAL HG21 H 1 0.880 . . 1 . . . . 58 VAL HG2 . 6173 1
732 . 1 1 58 58 VAL HG22 H 1 0.880 . . 1 . . . . 58 VAL HG2 . 6173 1
733 . 1 1 58 58 VAL HG23 H 1 0.880 . . 1 . . . . 58 VAL HG2 . 6173 1
734 . 1 1 58 58 VAL C C 13 175.500 . . 1 . . . . 58 VAL C . 6173 1
735 . 1 1 58 58 VAL CA C 13 62.104 . . 1 . . . . 58 VAL CA . 6173 1
736 . 1 1 58 58 VAL CB C 13 34.118 . . 1 . . . . 58 VAL CB . 6173 1
737 . 1 1 58 58 VAL CG1 C 13 22.114 . . 1 . . . . 58 VAL CG1 . 6173 1
738 . 1 1 58 58 VAL CG2 C 13 18.766 . . 1 . . . . 58 VAL CG2 . 6173 1
739 . 1 1 58 58 VAL N N 15 122.666 . . 1 . . . . 58 VAL N . 6173 1
740 . 1 1 59 59 ARG H H 1 7.628 . . 1 . . . . 59 ARG H . 6173 1
741 . 1 1 59 59 ARG HA H 1 4.667 . . 1 . . . . 59 ARG HA . 6173 1
742 . 1 1 59 59 ARG HB2 H 1 1.995 . . 2 . . . . 59 ARG HB2 . 6173 1
743 . 1 1 59 59 ARG HB3 H 1 1.869 . . 2 . . . . 59 ARG HB3 . 6173 1
744 . 1 1 59 59 ARG HG2 H 1 1.696 . . 2 . . . . 59 ARG HG2 . 6173 1
745 . 1 1 59 59 ARG HG3 H 1 1.882 . . 2 . . . . 59 ARG HG3 . 6173 1
746 . 1 1 59 59 ARG HD2 H 1 3.264 . . 1 . . . . 59 ARG HD2 . 6173 1
747 . 1 1 59 59 ARG HD3 H 1 3.264 . . 1 . . . . 59 ARG HD3 . 6173 1
748 . 1 1 59 59 ARG C C 13 175.000 . . 1 . . . . 59 ARG C . 6173 1
749 . 1 1 59 59 ARG CA C 13 55.579 . . 1 . . . . 59 ARG CA . 6173 1
750 . 1 1 59 59 ARG CB C 13 34.890 . . 1 . . . . 59 ARG CB . 6173 1
751 . 1 1 59 59 ARG CG C 13 27.092 . . 1 . . . . 59 ARG CG . 6173 1
752 . 1 1 59 59 ARG CD C 13 43.755 . . 1 . . . . 59 ARG CD . 6173 1
753 . 1 1 59 59 ARG N N 15 117.696 . . 1 . . . . 59 ARG N . 6173 1
754 . 1 1 60 60 VAL H H 1 8.647 . . 1 . . . . 60 VAL H . 6173 1
755 . 1 1 60 60 VAL HA H 1 4.405 . . 1 . . . . 60 VAL HA . 6173 1
756 . 1 1 60 60 VAL HB H 1 2.284 . . 1 . . . . 60 VAL HB . 6173 1
757 . 1 1 60 60 VAL HG11 H 1 1.017 . . 1 . . . . 60 VAL HG1 . 6173 1
758 . 1 1 60 60 VAL HG12 H 1 1.017 . . 1 . . . . 60 VAL HG1 . 6173 1
759 . 1 1 60 60 VAL HG13 H 1 1.017 . . 1 . . . . 60 VAL HG1 . 6173 1
760 . 1 1 60 60 VAL HG21 H 1 0.942 . . 1 . . . . 60 VAL HG2 . 6173 1
761 . 1 1 60 60 VAL HG22 H 1 0.942 . . 1 . . . . 60 VAL HG2 . 6173 1
762 . 1 1 60 60 VAL HG23 H 1 0.942 . . 1 . . . . 60 VAL HG2 . 6173 1
763 . 1 1 60 60 VAL C C 13 173.700 . . 1 . . . . 60 VAL C . 6173 1
764 . 1 1 60 60 VAL CA C 13 63.124 . . 1 . . . . 60 VAL CA . 6173 1
765 . 1 1 60 60 VAL CB C 13 32.087 . . 1 . . . . 60 VAL CB . 6173 1
766 . 1 1 60 60 VAL CG1 C 13 22.524 . . 1 . . . . 60 VAL CG1 . 6173 1
767 . 1 1 60 60 VAL CG2 C 13 19.324 . . 1 . . . . 60 VAL CG2 . 6173 1
768 . 1 1 60 60 VAL N N 15 117.604 . . 1 . . . . 60 VAL N . 6173 1
769 . 1 1 61 61 HIS H H 1 8.397 . . 1 . . . . 61 HIS H . 6173 1
770 . 1 1 61 61 HIS HA H 1 4.796 . . 1 . . . . 61 HIS HA . 6173 1
771 . 1 1 61 61 HIS HB2 H 1 2.723 . . 2 . . . . 61 HIS HB2 . 6173 1
772 . 1 1 61 61 HIS HB3 H 1 2.401 . . 2 . . . . 61 HIS HB3 . 6173 1
773 . 1 1 61 61 HIS C C 13 174.200 . . 1 . . . . 61 HIS C . 6173 1
774 . 1 1 61 61 HIS CA C 13 55.883 . . 1 . . . . 61 HIS CA . 6173 1
775 . 1 1 61 61 HIS CB C 13 33.995 . . 1 . . . . 61 HIS CB . 6173 1
776 . 1 1 61 61 HIS N N 15 124.046 . . 1 . . . . 61 HIS N . 6173 1
777 . 1 1 62 62 GLY H H 1 8.619 . . 1 . . . . 62 GLY H . 6173 1
778 . 1 1 62 62 GLY HA2 H 1 4.014 . . 2 . . . . 62 GLY HA2 . 6173 1
779 . 1 1 62 62 GLY HA3 H 1 3.771 . . 2 . . . . 62 GLY HA3 . 6173 1
780 . 1 1 62 62 GLY C C 13 176.300 . . 1 . . . . 62 GLY C . 6173 1
781 . 1 1 62 62 GLY CA C 13 45.006 . . 1 . . . . 62 GLY CA . 6173 1
782 . 1 1 62 62 GLY N N 15 114.965 . . 1 . . . . 62 GLY N . 6173 1
783 . 1 1 63 63 THR H H 1 8.945 . . 1 . . . . 63 THR H . 6173 1
784 . 1 1 63 63 THR HA H 1 4.533 . . 1 . . . . 63 THR HA . 6173 1
785 . 1 1 63 63 THR HB H 1 4.648 . . 1 . . . . 63 THR HB . 6173 1
786 . 1 1 63 63 THR HG21 H 1 1.133 . . 1 . . . . 63 THR HG2 . 6173 1
787 . 1 1 63 63 THR HG22 H 1 1.133 . . 1 . . . . 63 THR HG2 . 6173 1
788 . 1 1 63 63 THR HG23 H 1 1.133 . . 1 . . . . 63 THR HG2 . 6173 1
789 . 1 1 63 63 THR C C 13 175.200 . . 1 . . . . 63 THR C . 6173 1
790 . 1 1 63 63 THR CA C 13 61.793 . . 1 . . . . 63 THR CA . 6173 1
791 . 1 1 63 63 THR CB C 13 69.548 . . 1 . . . . 63 THR CB . 6173 1
792 . 1 1 63 63 THR CG2 C 13 21.741 . . 1 . . . . 63 THR CG2 . 6173 1
793 . 1 1 63 63 THR N N 15 111.112 . . 1 . . . . 63 THR N . 6173 1
794 . 1 1 64 64 LYS H H 1 9.133 . . 1 . . . . 64 LYS H . 6173 1
795 . 1 1 64 64 LYS HA H 1 4.588 . . 1 . . . . 64 LYS HA . 6173 1
796 . 1 1 64 64 LYS HB2 H 1 2.171 . . 2 . . . . 64 LYS HB2 . 6173 1
797 . 1 1 64 64 LYS HB3 H 1 1.669 . . 2 . . . . 64 LYS HB3 . 6173 1
798 . 1 1 64 64 LYS HG2 H 1 1.532 . . 2 . . . . 64 LYS HG2 . 6173 1
799 . 1 1 64 64 LYS HG3 H 1 1.390 . . 2 . . . . 64 LYS HG3 . 6173 1
800 . 1 1 64 64 LYS HD2 H 1 1.709 . . 1 . . . . 64 LYS HD2 . 6173 1
801 . 1 1 64 64 LYS HD3 H 1 1.709 . . 1 . . . . 64 LYS HD3 . 6173 1
802 . 1 1 64 64 LYS C C 13 175.500 . . 1 . . . . 64 LYS C . 6173 1
803 . 1 1 64 64 LYS CA C 13 55.231 . . 1 . . . . 64 LYS CA . 6173 1
804 . 1 1 64 64 LYS CB C 13 32.452 . . 1 . . . . 64 LYS CB . 6173 1
805 . 1 1 64 64 LYS CG C 13 24.768 . . 1 . . . . 64 LYS CG . 6173 1
806 . 1 1 64 64 LYS CD C 13 28.732 . . 1 . . . . 64 LYS CD . 6173 1
807 . 1 1 64 64 LYS N N 15 122.500 . . 1 . . . . 64 LYS N . 6173 1
808 . 1 1 65 65 GLY H H 1 7.987 . . 1 . . . . 65 GLY H . 6173 1
809 . 1 1 65 65 GLY HA2 H 1 4.500 . . 2 . . . . 65 GLY HA2 . 6173 1
810 . 1 1 65 65 GLY HA3 H 1 3.135 . . 2 . . . . 65 GLY HA3 . 6173 1
811 . 1 1 65 65 GLY C C 13 171.300 . . 1 . . . . 65 GLY C . 6173 1
812 . 1 1 65 65 GLY CA C 13 44.920 . . 1 . . . . 65 GLY CA . 6173 1
813 . 1 1 65 65 GLY N N 15 106.884 . . 1 . . . . 65 GLY N . 6173 1
814 . 1 1 66 66 ALA H H 1 7.671 . . 1 . . . . 66 ALA H . 6173 1
815 . 1 1 66 66 ALA HA H 1 4.911 . . 1 . . . . 66 ALA HA . 6173 1
816 . 1 1 66 66 ALA HB1 H 1 1.522 . . 1 . . . . 66 ALA HB . 6173 1
817 . 1 1 66 66 ALA HB2 H 1 1.522 . . 1 . . . . 66 ALA HB . 6173 1
818 . 1 1 66 66 ALA HB3 H 1 1.522 . . 1 . . . . 66 ALA HB . 6173 1
819 . 1 1 66 66 ALA C C 13 177.400 . . 1 . . . . 66 ALA C . 6173 1
820 . 1 1 66 66 ALA CA C 13 52.232 . . 1 . . . . 66 ALA CA . 6173 1
821 . 1 1 66 66 ALA CB C 13 18.719 . . 1 . . . . 66 ALA CB . 6173 1
822 . 1 1 66 66 ALA N N 15 115.951 . . 1 . . . . 66 ALA N . 6173 1
823 . 1 1 67 67 VAL H H 1 8.951 . . 1 . . . . 67 VAL H . 6173 1
824 . 1 1 67 67 VAL HA H 1 4.875 . . 1 . . . . 67 VAL HA . 6173 1
825 . 1 1 67 67 VAL HB H 1 2.262 . . 1 . . . . 67 VAL HB . 6173 1
826 . 1 1 67 67 VAL HG11 H 1 0.966 . . 1 . . . . 67 VAL HG1 . 6173 1
827 . 1 1 67 67 VAL HG12 H 1 0.966 . . 1 . . . . 67 VAL HG1 . 6173 1
828 . 1 1 67 67 VAL HG13 H 1 0.966 . . 1 . . . . 67 VAL HG1 . 6173 1
829 . 1 1 67 67 VAL HG21 H 1 0.697 . . 1 . . . . 67 VAL HG2 . 6173 1
830 . 1 1 67 67 VAL HG22 H 1 0.697 . . 1 . . . . 67 VAL HG2 . 6173 1
831 . 1 1 67 67 VAL HG23 H 1 0.697 . . 1 . . . . 67 VAL HG2 . 6173 1
832 . 1 1 67 67 VAL C C 13 173.400 . . 1 . . . . 67 VAL C . 6173 1
833 . 1 1 67 67 VAL CA C 13 59.368 . . 1 . . . . 67 VAL CA . 6173 1
834 . 1 1 67 67 VAL CB C 13 36.262 . . 1 . . . . 67 VAL CB . 6173 1
835 . 1 1 67 67 VAL CG1 C 13 23.209 . . 1 . . . . 67 VAL CG1 . 6173 1
836 . 1 1 67 67 VAL CG2 C 13 17.953 . . 1 . . . . 67 VAL CG2 . 6173 1
837 . 1 1 67 67 VAL N N 15 108.601 . . 1 . . . . 67 VAL N . 6173 1
838 . 1 1 68 68 ARG H H 1 9.043 . . 1 . . . . 68 ARG H . 6173 1
839 . 1 1 68 68 ARG HA H 1 5.179 . . 1 . . . . 68 ARG HA . 6173 1
840 . 1 1 68 68 ARG HB2 H 1 1.530 . . 2 . . . . 68 ARG HB2 . 6173 1
841 . 1 1 68 68 ARG HB3 H 1 1.624 . . 2 . . . . 68 ARG HB3 . 6173 1
842 . 1 1 68 68 ARG HG2 H 1 1.312 . . 2 . . . . 68 ARG HG2 . 6173 1
843 . 1 1 68 68 ARG HG3 H 1 1.528 . . 2 . . . . 68 ARG HG3 . 6173 1
844 . 1 1 68 68 ARG HD2 H 1 3.039 . . 2 . . . . 68 ARG HD2 . 6173 1
845 . 1 1 68 68 ARG HD3 H 1 3.018 . . 2 . . . . 68 ARG HD3 . 6173 1
846 . 1 1 68 68 ARG C C 13 175.000 . . 1 . . . . 68 ARG C . 6173 1
847 . 1 1 68 68 ARG CA C 13 54.632 . . 1 . . . . 68 ARG CA . 6173 1
848 . 1 1 68 68 ARG CB C 13 32.597 . . 1 . . . . 68 ARG CB . 6173 1
849 . 1 1 68 68 ARG CG C 13 28.466 . . 1 . . . . 68 ARG CG . 6173 1
850 . 1 1 68 68 ARG CD C 13 44.516 . . 1 . . . . 68 ARG CD . 6173 1
851 . 1 1 68 68 ARG N N 15 118.441 . . 1 . . . . 68 ARG N . 6173 1
852 . 1 1 69 69 ALA H H 1 9.561 . . 1 . . . . 69 ALA H . 6173 1
853 . 1 1 69 69 ALA HA H 1 5.409 . . 1 . . . . 69 ALA HA . 6173 1
854 . 1 1 69 69 ALA HB1 H 1 1.054 . . 1 . . . . 69 ALA HB . 6173 1
855 . 1 1 69 69 ALA HB2 H 1 1.054 . . 1 . . . . 69 ALA HB . 6173 1
856 . 1 1 69 69 ALA HB3 H 1 1.054 . . 1 . . . . 69 ALA HB . 6173 1
857 . 1 1 69 69 ALA C C 13 174.400 . . 1 . . . . 69 ALA C . 6173 1
858 . 1 1 69 69 ALA CA C 13 49.830 . . 1 . . . . 69 ALA CA . 6173 1
859 . 1 1 69 69 ALA CB C 13 23.932 . . 1 . . . . 69 ALA CB . 6173 1
860 . 1 1 69 69 ALA N N 15 126.495 . . 1 . . . . 69 ALA N . 6173 1
861 . 1 1 70 70 ARG H H 1 8.692 . . 1 . . . . 70 ARG H . 6173 1
862 . 1 1 70 70 ARG HA H 1 5.169 . . 1 . . . . 70 ARG HA . 6173 1
863 . 1 1 70 70 ARG HB2 H 1 1.722 . . 2 . . . . 70 ARG HB2 . 6173 1
864 . 1 1 70 70 ARG HB3 H 1 1.685 . . 2 . . . . 70 ARG HB3 . 6173 1
865 . 1 1 70 70 ARG HG2 H 1 1.493 . . 2 . . . . 70 ARG HG2 . 6173 1
866 . 1 1 70 70 ARG HG3 H 1 1.621 . . 2 . . . . 70 ARG HG3 . 6173 1
867 . 1 1 70 70 ARG HD2 H 1 3.203 . . 1 . . . . 70 ARG HD2 . 6173 1
868 . 1 1 70 70 ARG HD3 H 1 3.203 . . 1 . . . . 70 ARG HD3 . 6173 1
869 . 1 1 70 70 ARG C C 13 175.700 . . 1 . . . . 70 ARG C . 6173 1
870 . 1 1 70 70 ARG CA C 13 55.090 . . 1 . . . . 70 ARG CA . 6173 1
871 . 1 1 70 70 ARG CB C 13 33.544 . . 1 . . . . 70 ARG CB . 6173 1
872 . 1 1 70 70 ARG CG C 13 27.813 . . 1 . . . . 70 ARG CG . 6173 1
873 . 1 1 70 70 ARG CD C 13 43.602 . . 1 . . . . 70 ARG CD . 6173 1
874 . 1 1 70 70 ARG N N 15 122.321 . . 1 . . . . 70 ARG N . 6173 1
875 . 1 1 71 71 PHE H H 1 9.442 . . 1 . . . . 71 PHE H . 6173 1
876 . 1 1 71 71 PHE HA H 1 4.859 . . 1 . . . . 71 PHE HA . 6173 1
877 . 1 1 71 71 PHE HB2 H 1 3.259 . . 2 . . . . 71 PHE HB2 . 6173 1
878 . 1 1 71 71 PHE HB3 H 1 2.973 . . 2 . . . . 71 PHE HB3 . 6173 1
879 . 1 1 71 71 PHE C C 13 175.700 . . 1 . . . . 71 PHE C . 6173 1
880 . 1 1 71 71 PHE CA C 13 57.465 . . 1 . . . . 71 PHE CA . 6173 1
881 . 1 1 71 71 PHE CB C 13 41.819 . . 1 . . . . 71 PHE CB . 6173 1
882 . 1 1 71 71 PHE N N 15 128.794 . . 1 . . . . 71 PHE N . 6173 1
883 . 1 1 72 72 GLU H H 1 8.968 . . 1 . . . . 72 GLU H . 6173 1
884 . 1 1 72 72 GLU HA H 1 4.242 . . 1 . . . . 72 GLU HA . 6173 1
885 . 1 1 72 72 GLU HB2 H 1 2.208 . . 1 . . . . 72 GLU HB2 . 6173 1
886 . 1 1 72 72 GLU HB3 H 1 2.208 . . 1 . . . . 72 GLU HB3 . 6173 1
887 . 1 1 72 72 GLU HG2 H 1 2.441 . . 1 . . . . 72 GLU HG2 . 6173 1
888 . 1 1 72 72 GLU HG3 H 1 2.441 . . 1 . . . . 72 GLU HG3 . 6173 1
889 . 1 1 72 72 GLU C C 13 176.500 . . 1 . . . . 72 GLU C . 6173 1
890 . 1 1 72 72 GLU CA C 13 58.604 . . 1 . . . . 72 GLU CA . 6173 1
891 . 1 1 72 72 GLU CB C 13 30.263 . . 1 . . . . 72 GLU CB . 6173 1
892 . 1 1 72 72 GLU CG C 13 36.515 . . 1 . . . . 72 GLU CG . 6173 1
893 . 1 1 72 72 GLU N N 15 121.197 . . 1 . . . . 72 GLU N . 6173 1
894 . 1 1 73 73 LYS H H 1 8.123 . . 1 . . . . 73 LYS H . 6173 1
895 . 1 1 73 73 LYS HA H 1 4.514 . . 1 . . . . 73 LYS HA . 6173 1
896 . 1 1 73 73 LYS HB2 H 1 1.996 . . 2 . . . . 73 LYS HB2 . 6173 1
897 . 1 1 73 73 LYS HB3 H 1 1.836 . . 2 . . . . 73 LYS HB3 . 6173 1
898 . 1 1 73 73 LYS HG2 H 1 1.503 . . 2 . . . . 73 LYS HG2 . 6173 1
899 . 1 1 73 73 LYS HG3 H 1 1.522 . . 2 . . . . 73 LYS HG3 . 6173 1
900 . 1 1 73 73 LYS HD2 H 1 1.773 . . 2 . . . . 73 LYS HD2 . 6173 1
901 . 1 1 73 73 LYS HD3 H 1 1.703 . . 2 . . . . 73 LYS HD3 . 6173 1
902 . 1 1 73 73 LYS HE2 H 1 3.061 . . 1 . . . . 73 LYS HE2 . 6173 1
903 . 1 1 73 73 LYS HE3 H 1 3.061 . . 1 . . . . 73 LYS HE3 . 6173 1
904 . 1 1 73 73 LYS C C 13 175.300 . . 1 . . . . 73 LYS C . 6173 1
905 . 1 1 73 73 LYS CA C 13 54.839 . . 1 . . . . 73 LYS CA . 6173 1
906 . 1 1 73 73 LYS CB C 13 34.555 . . 1 . . . . 73 LYS CB . 6173 1
907 . 1 1 73 73 LYS CG C 13 24.907 . . 1 . . . . 73 LYS CG . 6173 1
908 . 1 1 73 73 LYS CD C 13 29.197 . . 1 . . . . 73 LYS CD . 6173 1
909 . 1 1 73 73 LYS CE C 13 42.365 . . 1 . . . . 73 LYS CE . 6173 1
910 . 1 1 73 73 LYS N N 15 117.266 . . 1 . . . . 73 LYS N . 6173 1
911 . 1 1 74 74 GLY H H 1 8.138 . . 1 . . . . 74 GLY H . 6173 1
912 . 1 1 74 74 GLY HA2 H 1 3.733 . . 2 . . . . 74 GLY HA2 . 6173 1
913 . 1 1 74 74 GLY HA3 H 1 3.734 . . 2 . . . . 74 GLY HA3 . 6173 1
914 . 1 1 74 74 GLY C C 13 173.300 . . 1 . . . . 74 GLY C . 6173 1
915 . 1 1 74 74 GLY CA C 13 45.289 . . 1 . . . . 74 GLY CA . 6173 1
916 . 1 1 74 74 GLY N N 15 105.973 . . 1 . . . . 74 GLY N . 6173 1
917 . 1 1 75 75 LEU H H 1 7.924 . . 1 . . . . 75 LEU H . 6173 1
918 . 1 1 75 75 LEU HA H 1 4.337 . . 1 . . . . 75 LEU HA . 6173 1
919 . 1 1 75 75 LEU HB2 H 1 1.091 . . 2 . . . . 75 LEU HB2 . 6173 1
920 . 1 1 75 75 LEU HB3 H 1 0.765 . . 2 . . . . 75 LEU HB3 . 6173 1
921 . 1 1 75 75 LEU HG H 1 0.967 . . 1 . . . . 75 LEU HG . 6173 1
922 . 1 1 75 75 LEU HD11 H 1 -0.115 . . 1 . . . . 75 LEU HD1 . 6173 1
923 . 1 1 75 75 LEU HD12 H 1 -0.115 . . 1 . . . . 75 LEU HD1 . 6173 1
924 . 1 1 75 75 LEU HD13 H 1 -0.115 . . 1 . . . . 75 LEU HD1 . 6173 1
925 . 1 1 75 75 LEU HD21 H 1 0.045 . . 1 . . . . 75 LEU HD2 . 6173 1
926 . 1 1 75 75 LEU HD22 H 1 0.045 . . 1 . . . . 75 LEU HD2 . 6173 1
927 . 1 1 75 75 LEU HD23 H 1 0.045 . . 1 . . . . 75 LEU HD2 . 6173 1
928 . 1 1 75 75 LEU CA C 13 52.387 . . 1 . . . . 75 LEU CA . 6173 1
929 . 1 1 75 75 LEU CB C 13 41.391 . . 1 . . . . 75 LEU CB . 6173 1
930 . 1 1 75 75 LEU CG C 13 27.154 . . 1 . . . . 75 LEU CG . 6173 1
931 . 1 1 75 75 LEU CD1 C 13 24.465 . . 1 . . . . 75 LEU CD1 . 6173 1
932 . 1 1 75 75 LEU CD2 C 13 23.345 . . 1 . . . . 75 LEU CD2 . 6173 1
933 . 1 1 75 75 LEU N N 15 122.540 . . 1 . . . . 75 LEU N . 6173 1
934 . 1 1 76 76 PRO HA H 1 4.527 . . 1 . . . . 76 PRO HA . 6173 1
935 . 1 1 76 76 PRO HB2 H 1 2.120 . . 1 . . . . 76 PRO HB2 . 6173 1
936 . 1 1 76 76 PRO HB3 H 1 2.120 . . 1 . . . . 76 PRO HB3 . 6173 1
937 . 1 1 76 76 PRO HG2 H 1 2.178 . . 2 . . . . 76 PRO HG2 . 6173 1
938 . 1 1 76 76 PRO HG3 H 1 1.911 . . 2 . . . . 76 PRO HG3 . 6173 1
939 . 1 1 76 76 PRO HD2 H 1 3.727 . . 2 . . . . 76 PRO HD2 . 6173 1
940 . 1 1 76 76 PRO HD3 H 1 3.233 . . 2 . . . . 76 PRO HD3 . 6173 1
941 . 1 1 76 76 PRO C C 13 176.700 . . 1 . . . . 76 PRO C . 6173 1
942 . 1 1 76 76 PRO CA C 13 62.467 . . 1 . . . . 76 PRO CA . 6173 1
943 . 1 1 76 76 PRO CB C 13 32.055 . . 1 . . . . 76 PRO CB . 6173 1
944 . 1 1 76 76 PRO CG C 13 27.436 . . 1 . . . . 76 PRO CG . 6173 1
945 . 1 1 76 76 PRO CD C 13 50.222 . . 1 . . . . 76 PRO CD . 6173 1
946 . 1 1 77 77 GLY H H 1 8.346 . . 1 . . . . 77 GLY H . 6173 1
947 . 1 1 77 77 GLY HA2 H 1 3.912 . . 2 . . . . 77 GLY HA2 . 6173 1
948 . 1 1 77 77 GLY HA3 H 1 3.836 . . 2 . . . . 77 GLY HA3 . 6173 1
949 . 1 1 77 77 GLY C C 13 174.900 . . 1 . . . . 77 GLY C . 6173 1
950 . 1 1 77 77 GLY CA C 13 46.447 . . 1 . . . . 77 GLY CA . 6173 1
951 . 1 1 77 77 GLY N N 15 107.966 . . 1 . . . . 77 GLY N . 6173 1
952 . 1 1 78 78 GLN H H 1 8.226 . . 1 . . . . 78 GLN H . 6173 1
953 . 1 1 78 78 GLN HA H 1 4.244 . . 1 . . . . 78 GLN HA . 6173 1
954 . 1 1 78 78 GLN HB2 H 1 2.130 . . 2 . . . . 78 GLN HB2 . 6173 1
955 . 1 1 78 78 GLN HB3 H 1 2.062 . . 2 . . . . 78 GLN HB3 . 6173 1
956 . 1 1 78 78 GLN HG2 H 1 2.401 . . 1 . . . . 78 GLN HG2 . 6173 1
957 . 1 1 78 78 GLN HG3 H 1 2.401 . . 1 . . . . 78 GLN HG3 . 6173 1
958 . 1 1 78 78 GLN HE21 H 1 7.598 . . 1 . . . . 78 GLN HE21 . 6173 1
959 . 1 1 78 78 GLN HE22 H 1 6.917 . . 1 . . . . 78 GLN HE22 . 6173 1
960 . 1 1 78 78 GLN C C 13 175.500 . . 1 . . . . 78 GLN C . 6173 1
961 . 1 1 78 78 GLN CA C 13 57.091 . . 1 . . . . 78 GLN CA . 6173 1
962 . 1 1 78 78 GLN CB C 13 28.933 . . 1 . . . . 78 GLN CB . 6173 1
963 . 1 1 78 78 GLN CG C 13 34.254 . . 1 . . . . 78 GLN CG . 6173 1
964 . 1 1 78 78 GLN N N 15 118.286 . . 1 . . . . 78 GLN N . 6173 1
965 . 1 1 78 78 GLN NE2 N 15 112.2 . . 1 . . . . 78 GLN NE2 . 6173 1
966 . 1 1 79 79 ALA H H 1 7.890 . . 1 . . . . 79 ALA H . 6173 1
967 . 1 1 79 79 ALA HA H 1 4.211 . . 1 . . . . 79 ALA HA . 6173 1
968 . 1 1 79 79 ALA HB1 H 1 0.491 . . 1 . . . . 79 ALA HB . 6173 1
969 . 1 1 79 79 ALA HB2 H 1 0.491 . . 1 . . . . 79 ALA HB . 6173 1
970 . 1 1 79 79 ALA HB3 H 1 0.491 . . 1 . . . . 79 ALA HB . 6173 1
971 . 1 1 79 79 ALA C C 13 177.100 . . 1 . . . . 79 ALA C . 6173 1
972 . 1 1 79 79 ALA CA C 13 52.573 . . 1 . . . . 79 ALA CA . 6173 1
973 . 1 1 79 79 ALA CB C 13 19.067 . . 1 . . . . 79 ALA CB . 6173 1
974 . 1 1 79 79 ALA N N 15 122.012 . . 1 . . . . 79 ALA N . 6173 1
975 . 1 1 80 80 LEU H H 1 7.340 . . 1 . . . . 80 LEU H . 6173 1
976 . 1 1 80 80 LEU HA H 1 3.548 . . 1 . . . . 80 LEU HA . 6173 1
977 . 1 1 80 80 LEU HB2 H 1 1.675 . . 2 . . . . 80 LEU HB2 . 6173 1
978 . 1 1 80 80 LEU HB3 H 1 1.366 . . 2 . . . . 80 LEU HB3 . 6173 1
979 . 1 1 80 80 LEU HG H 1 1.519 . . 1 . . . . 80 LEU HG . 6173 1
980 . 1 1 80 80 LEU HD11 H 1 0.864 . . 1 . . . . 80 LEU HD1 . 6173 1
981 . 1 1 80 80 LEU HD12 H 1 0.864 . . 1 . . . . 80 LEU HD1 . 6173 1
982 . 1 1 80 80 LEU HD13 H 1 0.864 . . 1 . . . . 80 LEU HD1 . 6173 1
983 . 1 1 80 80 LEU HD21 H 1 0.552 . . 1 . . . . 80 LEU HD2 . 6173 1
984 . 1 1 80 80 LEU HD22 H 1 0.552 . . 1 . . . . 80 LEU HD2 . 6173 1
985 . 1 1 80 80 LEU HD23 H 1 0.552 . . 1 . . . . 80 LEU HD2 . 6173 1
986 . 1 1 80 80 LEU C C 13 178.200 . . 1 . . . . 80 LEU C . 6173 1
987 . 1 1 80 80 LEU CA C 13 57.059 . . 1 . . . . 80 LEU CA . 6173 1
988 . 1 1 80 80 LEU CB C 13 41.010 . . 1 . . . . 80 LEU CB . 6173 1
989 . 1 1 80 80 LEU CG C 13 26.949 . . 1 . . . . 80 LEU CG . 6173 1
990 . 1 1 80 80 LEU CD1 C 13 25.050 . . 1 . . . . 80 LEU CD1 . 6173 1
991 . 1 1 80 80 LEU CD2 C 13 23.702 . . 1 . . . . 80 LEU CD2 . 6173 1
992 . 1 1 80 80 LEU N N 15 117.413 . . 1 . . . . 80 LEU N . 6173 1
993 . 1 1 81 81 GLY H H 1 8.704 . . 1 . . . . 81 GLY H . 6173 1
994 . 1 1 81 81 GLY HA2 H 1 3.477 . . 2 . . . . 81 GLY HA2 . 6173 1
995 . 1 1 81 81 GLY HA3 H 1 4.176 . . 2 . . . . 81 GLY HA3 . 6173 1
996 . 1 1 81 81 GLY C C 13 173.200 . . 1 . . . . 81 GLY C . 6173 1
997 . 1 1 81 81 GLY CA C 13 45.500 . . 1 . . . . 81 GLY CA . 6173 1
998 . 1 1 81 81 GLY N N 15 113.076 . . 1 . . . . 81 GLY N . 6173 1
999 . 1 1 82 82 ASP H H 1 8.092 . . 1 . . . . 82 ASP H . 6173 1
1000 . 1 1 82 82 ASP HA H 1 4.711 . . 1 . . . . 82 ASP HA . 6173 1
1001 . 1 1 82 82 ASP HB2 H 1 2.964 . . 1 . . . . 82 ASP HB2 . 6173 1
1002 . 1 1 82 82 ASP HB3 H 1 2.964 . . 1 . . . . 82 ASP HB3 . 6173 1
1003 . 1 1 82 82 ASP C C 13 175.400 . . 1 . . . . 82 ASP C . 6173 1
1004 . 1 1 82 82 ASP CA C 13 53.447 . . 1 . . . . 82 ASP CA . 6173 1
1005 . 1 1 82 82 ASP CB C 13 42.306 . . 1 . . . . 82 ASP CB . 6173 1
1006 . 1 1 82 82 ASP N N 15 120.648 . . 1 . . . . 82 ASP N . 6173 1
1007 . 1 1 83 83 TYR H H 1 8.637 . . 1 . . . . 83 TYR H . 6173 1
1008 . 1 1 83 83 TYR HA H 1 5.725 . . 1 . . . . 83 TYR HA . 6173 1
1009 . 1 1 83 83 TYR HB2 H 1 3.140 . . 2 . . . . 83 TYR HB2 . 6173 1
1010 . 1 1 83 83 TYR HB3 H 1 2.975 . . 2 . . . . 83 TYR HB3 . 6173 1
1011 . 1 1 83 83 TYR C C 13 176.800 . . 1 . . . . 83 TYR C . 6173 1
1012 . 1 1 83 83 TYR CA C 13 57.359 . . 1 . . . . 83 TYR CA . 6173 1
1013 . 1 1 83 83 TYR CB C 13 40.594 . . 1 . . . . 83 TYR CB . 6173 1
1014 . 1 1 83 83 TYR N N 15 117.015 . . 1 . . . . 83 TYR N . 6173 1
1015 . 1 1 84 84 VAL H H 1 8.747 . . 1 . . . . 84 VAL H . 6173 1
1016 . 1 1 84 84 VAL HA H 1 5.006 . . 1 . . . . 84 VAL HA . 6173 1
1017 . 1 1 84 84 VAL HB H 1 2.204 . . 1 . . . . 84 VAL HB . 6173 1
1018 . 1 1 84 84 VAL HG11 H 1 0.946 . . 1 . . . . 84 VAL HG1 . 6173 1
1019 . 1 1 84 84 VAL HG12 H 1 0.946 . . 1 . . . . 84 VAL HG1 . 6173 1
1020 . 1 1 84 84 VAL HG13 H 1 0.946 . . 1 . . . . 84 VAL HG1 . 6173 1
1021 . 1 1 84 84 VAL HG21 H 1 0.520 . . 1 . . . . 84 VAL HG2 . 6173 1
1022 . 1 1 84 84 VAL HG22 H 1 0.520 . . 1 . . . . 84 VAL HG2 . 6173 1
1023 . 1 1 84 84 VAL HG23 H 1 0.520 . . 1 . . . . 84 VAL HG2 . 6173 1
1024 . 1 1 84 84 VAL C C 13 175.200 . . 1 . . . . 84 VAL C . 6173 1
1025 . 1 1 84 84 VAL CA C 13 58.855 . . 1 . . . . 84 VAL CA . 6173 1
1026 . 1 1 84 84 VAL CB C 13 35.371 . . 1 . . . . 84 VAL CB . 6173 1
1027 . 1 1 84 84 VAL CG1 C 13 22.928 . . 1 . . . . 84 VAL CG1 . 6173 1
1028 . 1 1 84 84 VAL CG2 C 13 18.193 . . 1 . . . . 84 VAL CG2 . 6173 1
1029 . 1 1 84 84 VAL N N 15 111.283 . . 1 . . . . 84 VAL N . 6173 1
1030 . 1 1 85 85 GLU H H 1 8.384 . . 1 . . . . 85 GLU H . 6173 1
1031 . 1 1 85 85 GLU HA H 1 5.129 . . 1 . . . . 85 GLU HA . 6173 1
1032 . 1 1 85 85 GLU HB2 H 1 1.951 . . 2 . . . . 85 GLU HB2 . 6173 1
1033 . 1 1 85 85 GLU HB3 H 1 1.842 . . 2 . . . . 85 GLU HB3 . 6173 1
1034 . 1 1 85 85 GLU HG2 H 1 2.369 . . 2 . . . . 85 GLU HG2 . 6173 1
1035 . 1 1 85 85 GLU HG3 H 1 2.089 . . 2 . . . . 85 GLU HG3 . 6173 1
1036 . 1 1 85 85 GLU C C 13 174.900 . . 1 . . . . 85 GLU C . 6173 1
1037 . 1 1 85 85 GLU CA C 13 55.209 . . 1 . . . . 85 GLU CA . 6173 1
1038 . 1 1 85 85 GLU CB C 13 33.531 . . 1 . . . . 85 GLU CB . 6173 1
1039 . 1 1 85 85 GLU CG C 13 37.237 . . 1 . . . . 85 GLU CG . 6173 1
1040 . 1 1 85 85 GLU N N 15 118.476 . . 1 . . . . 85 GLU N . 6173 1
1041 . 1 1 86 86 ILE H H 1 9.344 . . 1 . . . . 86 ILE H . 6173 1
1042 . 1 1 86 86 ILE HA H 1 4.951 . . 1 . . . . 86 ILE HA . 6173 1
1043 . 1 1 86 86 ILE HB H 1 1.809 . . 1 . . . . 86 ILE HB . 6173 1
1044 . 1 1 86 86 ILE HG12 H 1 0.852 . . 2 . . . . 86 ILE HG12 . 6173 1
1045 . 1 1 86 86 ILE HG13 H 1 1.538 . . 2 . . . . 86 ILE HG13 . 6173 1
1046 . 1 1 86 86 ILE HG21 H 1 0.775 . . 1 . . . . 86 ILE HG2 . 6173 1
1047 . 1 1 86 86 ILE HG22 H 1 0.775 . . 1 . . . . 86 ILE HG2 . 6173 1
1048 . 1 1 86 86 ILE HG23 H 1 0.775 . . 1 . . . . 86 ILE HG2 . 6173 1
1049 . 1 1 86 86 ILE HD11 H 1 0.680 . . 1 . . . . 86 ILE HD1 . 6173 1
1050 . 1 1 86 86 ILE HD12 H 1 0.680 . . 1 . . . . 86 ILE HD1 . 6173 1
1051 . 1 1 86 86 ILE HD13 H 1 0.680 . . 1 . . . . 86 ILE HD1 . 6173 1
1052 . 1 1 86 86 ILE C C 13 176.000 . . 1 . . . . 86 ILE C . 6173 1
1053 . 1 1 86 86 ILE CA C 13 60.535 . . 1 . . . . 86 ILE CA . 6173 1
1054 . 1 1 86 86 ILE CB C 13 39.154 . . 1 . . . . 86 ILE CB . 6173 1
1055 . 1 1 86 86 ILE CG1 C 13 28.083 . . 1 . . . . 86 ILE CG1 . 6173 1
1056 . 1 1 86 86 ILE CG2 C 13 18.081 . . 1 . . . . 86 ILE CG2 . 6173 1
1057 . 1 1 86 86 ILE CD1 C 13 14.011 . . 1 . . . . 86 ILE CD1 . 6173 1
1058 . 1 1 86 86 ILE N N 15 124.495 . . 1 . . . . 86 ILE N . 6173 1
1059 . 1 1 87 87 VAL H H 1 9.037 . . 1 . . . . 87 VAL H . 6173 1
1060 . 1 1 87 87 VAL HA H 1 4.373 . . 1 . . . . 87 VAL HA . 6173 1
1061 . 1 1 87 87 VAL HB H 1 2.135 . . 1 . . . . 87 VAL HB . 6173 1
1062 . 1 1 87 87 VAL HG11 H 1 0.922 . . 2 . . . . 87 VAL HG1 . 6173 1
1063 . 1 1 87 87 VAL HG12 H 1 0.922 . . 2 . . . . 87 VAL HG1 . 6173 1
1064 . 1 1 87 87 VAL HG13 H 1 0.922 . . 2 . . . . 87 VAL HG1 . 6173 1
1065 . 1 1 87 87 VAL HG21 H 1 0.821 . . 2 . . . . 87 VAL HG2 . 6173 1
1066 . 1 1 87 87 VAL HG22 H 1 0.821 . . 2 . . . . 87 VAL HG2 . 6173 1
1067 . 1 1 87 87 VAL HG23 H 1 0.821 . . 2 . . . . 87 VAL HG2 . 6173 1
1068 . 1 1 87 87 VAL C C 13 175.000 . . 1 . . . . 87 VAL C . 6173 1
1069 . 1 1 87 87 VAL CA C 13 62.421 . . 1 . . . . 87 VAL CA . 6173 1
1070 . 1 1 87 87 VAL CB C 13 34.034 . . 1 . . . . 87 VAL CB . 6173 1
1071 . 1 1 87 87 VAL CG1 C 13 21.441 . . 2 . . . . 87 VAL CG1 . 6173 1
1072 . 1 1 87 87 VAL CG2 C 13 20.565 . . 2 . . . . 87 VAL CG2 . 6173 1
1073 . 1 1 87 87 VAL N N 15 127.350 . . 1 . . . . 87 VAL N . 6173 1
1074 . 1 1 88 88 LEU H H 1 8.505 . . 1 . . . . 88 LEU H . 6173 1
1075 . 1 1 88 88 LEU HA H 1 4.487 . . 1 . . . . 88 LEU HA . 6173 1
1076 . 1 1 88 88 LEU HB2 H 1 1.566 . . 1 . . . . 88 LEU HB2 . 6173 1
1077 . 1 1 88 88 LEU HB3 H 1 1.566 . . 1 . . . . 88 LEU HB3 . 6173 1
1078 . 1 1 88 88 LEU HG H 1 1.566 . . 1 . . . . 88 LEU HG . 6173 1
1079 . 1 1 88 88 LEU HD11 H 1 0.858 . . 1 . . . . 88 LEU HD1 . 6173 1
1080 . 1 1 88 88 LEU HD12 H 1 0.858 . . 1 . . . . 88 LEU HD1 . 6173 1
1081 . 1 1 88 88 LEU HD13 H 1 0.858 . . 1 . . . . 88 LEU HD1 . 6173 1
1082 . 1 1 88 88 LEU HD21 H 1 0.793 . . 1 . . . . 88 LEU HD2 . 6173 1
1083 . 1 1 88 88 LEU HD22 H 1 0.793 . . 1 . . . . 88 LEU HD2 . 6173 1
1084 . 1 1 88 88 LEU HD23 H 1 0.793 . . 1 . . . . 88 LEU HD2 . 6173 1
1085 . 1 1 88 88 LEU C C 13 176.600 . . 1 . . . . 88 LEU C . 6173 1
1086 . 1 1 88 88 LEU CA C 13 54.785 . . 1 . . . . 88 LEU CA . 6173 1
1087 . 1 1 88 88 LEU CB C 13 42.472 . . 1 . . . . 88 LEU CB . 6173 1
1088 . 1 1 88 88 LEU CG C 13 27.524 . . 1 . . . . 88 LEU CG . 6173 1
1089 . 1 1 88 88 LEU CD1 C 13 25.084 . . 1 . . . . 88 LEU CD1 . 6173 1
1090 . 1 1 88 88 LEU CD2 C 13 23.884 . . 1 . . . . 88 LEU CD2 . 6173 1
1091 . 1 1 88 88 LEU N N 15 126.889 . . 1 . . . . 88 LEU N . 6173 1
1092 . 1 1 89 89 GLU H H 1 8.499 . . 1 . . . . 89 GLU H . 6173 1
1093 . 1 1 89 89 GLU HA H 1 4.303 . . 1 . . . . 89 GLU HA . 6173 1
1094 . 1 1 89 89 GLU HB2 H 1 1.957 . . 2 . . . . 89 GLU HB2 . 6173 1
1095 . 1 1 89 89 GLU HB3 H 1 1.850 . . 2 . . . . 89 GLU HB3 . 6173 1
1096 . 1 1 89 89 GLU HG2 H 1 2.174 . . 2 . . . . 89 GLU HG2 . 6173 1
1097 . 1 1 89 89 GLU HG3 H 1 2.131 . . 2 . . . . 89 GLU HG3 . 6173 1
1098 . 1 1 89 89 GLU C C 13 177.800 . . 1 . . . . 89 GLU C . 6173 1
1099 . 1 1 89 89 GLU CA C 13 56.541 . . 1 . . . . 89 GLU CA . 6173 1
1100 . 1 1 89 89 GLU CB C 13 31.037 . . 1 . . . . 89 GLU CB . 6173 1
1101 . 1 1 89 89 GLU CG C 13 36.479 . . 1 . . . . 89 GLU CG . 6173 1
1102 . 1 1 89 89 GLU N N 15 122.231 . . 1 . . . . 89 GLU N . 6173 1
1103 . 1 1 90 90 HIS H H 1 8.461 . . 1 . . . . 90 HIS H . 6173 1
1104 . 1 1 90 90 HIS CA C 13 57.480 . . 1 . . . . 90 HIS CA . 6173 1
1105 . 1 1 90 90 HIS N N 15 120.947 . . 1 . . . . 90 HIS N . 6173 1
1106 . 1 1 91 91 HIS H H 1 8.101 . . 1 . . . . 91 HIS H . 6173 1
1107 . 1 1 91 91 HIS N N 15 125.473 . . 1 . . . . 91 HIS N . 6173 1
stop_
save_
save_Assigned_chemical_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Assigned_chemical_shift_list_2
_Assigned_chem_shift_list.Entry_ID 6173
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Sample_condition_list_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 $sample_PfR48.NC.RX.7.85 isotropic 6173 2
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 10 10 TYR HD1 H 1 6.941 . . 1 . . . . 10 TYR HD1 . 6173 2
2 . 1 1 10 10 TYR HD2 H 1 6.941 . . 1 . . . . 10 TYR HD2 . 6173 2
3 . 1 1 10 10 TYR HE1 H 1 6.570 . . 1 . . . . 10 TYR HE1 . 6173 2
4 . 1 1 10 10 TYR HE2 H 1 6.570 . . 1 . . . . 10 TYR HE2 . 6173 2
5 . 1 1 10 10 TYR CD1 C 13 132.969 . . 1 . . . . 10 TYR CD1 . 6173 2
6 . 1 1 10 10 TYR CD2 C 13 132.969 . . 1 . . . . 10 TYR CD2 . 6173 2
7 . 1 1 10 10 TYR CE1 C 13 117.911 . . 1 . . . . 10 TYR CE1 . 6173 2
8 . 1 1 10 10 TYR CE2 C 13 117.911 . . 1 . . . . 10 TYR CE2 . 6173 2
9 . 1 1 45 45 TRP HD1 H 1 7.324 . . 1 . . . . 45 TRP HD1 . 6173 2
10 . 1 1 45 45 TRP HE1 H 1 11.453 . . 3 . . . . 45 TRP HE1 . 6173 2
11 . 1 1 45 45 TRP HE3 H 1 7.223 . . 1 . . . . 45 TRP HE3 . 6173 2
12 . 1 1 45 45 TRP HZ2 H 1 7.351 . . 1 . . . . 45 TRP HZ2 . 6173 2
13 . 1 1 45 45 TRP HZ3 H 1 6.826 . . 1 . . . . 45 TRP HZ3 . 6173 2
14 . 1 1 45 45 TRP HH2 H 1 6.989 . . 1 . . . . 45 TRP HH2 . 6173 2
15 . 1 1 45 45 TRP CD1 C 13 126.667 . . 1 . . . . 45 TRP CD1 . 6173 2
16 . 1 1 45 45 TRP CE3 C 13 120.611 . . 1 . . . . 45 TRP CE3 . 6173 2
17 . 1 1 45 45 TRP CZ2 C 13 114.010 . . 1 . . . . 45 TRP CZ2 . 6173 2
18 . 1 1 45 45 TRP CZ3 C 13 120.464 . . 1 . . . . 45 TRP CZ3 . 6173 2
19 . 1 1 45 45 TRP CH2 C 13 122.925 . . 1 . . . . 45 TRP CH2 . 6173 2
20 . 1 1 45 45 TRP NE1 N 15 133.891 . . 3 . . . . 45 TRP NE1 . 6173 2
21 . 1 1 71 71 PHE HD1 H 1 7.140 . . 1 . . . . 71 PHE HD1 . 6173 2
22 . 1 1 71 71 PHE HD2 H 1 7.140 . . 1 . . . . 71 PHE HD2 . 6173 2
23 . 1 1 71 71 PHE HE1 H 1 7.047 . . 1 . . . . 71 PHE HE1 . 6173 2
24 . 1 1 71 71 PHE HE2 H 1 7.047 . . 1 . . . . 71 PHE HE2 . 6173 2
25 . 1 1 71 71 PHE HZ H 1 6.792 . . 1 . . . . 71 PHE HZ . 6173 2
26 . 1 1 71 71 PHE CD1 C 13 131.924 . . 1 . . . . 71 PHE CD1 . 6173 2
27 . 1 1 71 71 PHE CD2 C 13 131.924 . . 1 . . . . 71 PHE CD2 . 6173 2
28 . 1 1 71 71 PHE CE1 C 13 130.815 . . 1 . . . . 71 PHE CE1 . 6173 2
29 . 1 1 71 71 PHE CE2 C 13 130.815 . . 1 . . . . 71 PHE CE2 . 6173 2
30 . 1 1 71 71 PHE CZ C 13 128.373 . . 1 . . . . 71 PHE CZ . 6173 2
31 . 1 1 83 83 TYR HD1 H 1 7.267 . . 1 . . . . 83 TYR HD1 . 6173 2
32 . 1 1 83 83 TYR HD2 H 1 7.267 . . 1 . . . . 83 TYR HD2 . 6173 2
33 . 1 1 83 83 TYR HE1 H 1 6.865 . . 1 . . . . 83 TYR HE1 . 6173 2
34 . 1 1 83 83 TYR HE2 H 1 6.865 . . 1 . . . . 83 TYR HE2 . 6173 2
35 . 1 1 83 83 TYR CD1 C 13 132.956 . . 1 . . . . 83 TYR CD1 . 6173 2
36 . 1 1 83 83 TYR CD2 C 13 132.956 . . 1 . . . . 83 TYR CD2 . 6173 2
37 . 1 1 83 83 TYR CE1 C 13 118.353 . . 1 . . . . 83 TYR CE1 . 6173 2
38 . 1 1 83 83 TYR CE2 C 13 118.353 . . 1 . . . . 83 TYR CE2 . 6173 2
stop_
save_
########################
# Coupling constants #
########################
save_JNH_1
_Coupling_constant_list.Sf_category coupling_constants
_Coupling_constant_list.Sf_framecode JNH_1
_Coupling_constant_list.Entry_ID 6173
_Coupling_constant_list.ID 1
_Coupling_constant_list.Sample_condition_list_ID 1
_Coupling_constant_list.Sample_condition_list_label $Sample_condition_list_1
_Coupling_constant_list.Spectrometer_frequency_1H 750
_Coupling_constant_list.Details .
_Coupling_constant_list.Text_data_format .
_Coupling_constant_list.Text_data .
loop_
_Coupling_constant_experiment.Experiment_ID
_Coupling_constant_experiment.Experiment_name
_Coupling_constant_experiment.Sample_ID
_Coupling_constant_experiment.Sample_label
_Coupling_constant_experiment.Sample_state
_Coupling_constant_experiment.Entry_ID
_Coupling_constant_experiment.Coupling_constant_list_ID
. . 1 $sample_PfR48.NC.RX.7.85 isotropic 6173 1
stop_
loop_
_Coupling_constant.ID
_Coupling_constant.Code
_Coupling_constant.Assembly_atom_ID_1
_Coupling_constant.Entity_assembly_ID_1
_Coupling_constant.Entity_ID_1
_Coupling_constant.Comp_index_ID_1
_Coupling_constant.Seq_ID_1
_Coupling_constant.Comp_ID_1
_Coupling_constant.Atom_ID_1
_Coupling_constant.Atom_type_1
_Coupling_constant.Atom_isotope_number_1
_Coupling_constant.Ambiguity_code_1
_Coupling_constant.Assembly_atom_ID_2
_Coupling_constant.Entity_assembly_ID_2
_Coupling_constant.Entity_ID_2
_Coupling_constant.Comp_index_ID_2
_Coupling_constant.Seq_ID_2
_Coupling_constant.Comp_ID_2
_Coupling_constant.Atom_ID_2
_Coupling_constant.Atom_type_2
_Coupling_constant.Atom_isotope_number_2
_Coupling_constant.Ambiguity_code_2
_Coupling_constant.Val
_Coupling_constant.Val_min
_Coupling_constant.Val_max
_Coupling_constant.Val_err
_Coupling_constant.Resonance_ID_1
_Coupling_constant.Resonance_ID_2
_Coupling_constant.Auth_entity_assembly_ID_1
_Coupling_constant.Auth_seq_ID_1
_Coupling_constant.Auth_comp_ID_1
_Coupling_constant.Auth_atom_ID_1
_Coupling_constant.Auth_entity_assembly_ID_2
_Coupling_constant.Auth_seq_ID_2
_Coupling_constant.Auth_comp_ID_2
_Coupling_constant.Auth_atom_ID_2
_Coupling_constant.Details
_Coupling_constant.Entry_ID
_Coupling_constant.Coupling_constant_list_ID
1 3JHNHA . 1 1 3 . ILE H H 1 . . 1 1 3 . ILE HA H 1 . 8.5 . . 1.5 . . . . . . . . . . . 6173 1
2 3JHNHA . 1 1 4 . LYS H H 1 . . 1 1 4 . LYS HA H 1 . 7.1 . . 1.5 . . . . . . . . . . . 6173 1
3 3JHNHA . 1 1 6 . VAL H H 1 . . 1 1 6 . VAL HA H 1 . 7.3 . . 1.5 . . . . . . . . . . . 6173 1
4 3JHNHA . 1 1 9 . SER H H 1 . . 1 1 9 . SER HA H 1 . 6.64 . . 1.5 . . . . . . . . . . . 6173 1
5 3JHNHA . 1 1 11 . ARG H H 1 . . 1 1 11 . ARG HA H 1 . 7.84 . . 1.5 . . . . . . . . . . . 6173 1
6 3JHNHA . 1 1 16 . ASN H H 1 . . 1 1 16 . ASN HA H 1 . 6.72 . . 1.5 . . . . . . . . . . . 6173 1
7 3JHNHA . 1 1 22 . MET H H 1 . . 1 1 22 . MET HA H 1 . 8.32 . . 1.5 . . . . . . . . . . . 6173 1
8 3JHNHA . 1 1 25 . LYS H H 1 . . 1 1 25 . LYS HA H 1 . 8.04 . . 1.5 . . . . . . . . . . . 6173 1
9 3JHNHA . 1 1 30 . ASN H H 1 . . 1 1 30 . ASN HA H 1 . 8.95 . . 1.5 . . . . . . . . . . . 6173 1
10 3JHNHA . 1 1 31 . SER H H 1 . . 1 1 31 . SER HA H 1 . 6.46 . . 1.5 . . . . . . . . . . . 6173 1
11 3JHNHA . 1 1 33 . GLU H H 1 . . 1 1 33 . GLU HA H 1 . 4.22 . . 1.5 . . . . . . . . . . . 6173 1
12 3JHNHA . 1 1 35 . ALA H H 1 . . 1 1 35 . ALA HA H 1 . 3.69 . . 1.5 . . . . . . . . . . . 6173 1
13 3JHNHA . 1 1 36 . SER H H 1 . . 1 1 36 . SER HA H 1 . 2.62 . . 1.5 . . . . . . . . . . . 6173 1
14 3JHNHA . 1 1 37 . LYS H H 1 . . 1 1 37 . LYS HA H 1 . 5.11 . . 1.5 . . . . . . . . . . . 6173 1
15 3JHNHA . 1 1 38 . LEU H H 1 . . 1 1 38 . LEU HA H 1 . 7.03 . . 1.5 . . . . . . . . . . . 6173 1
16 3JHNHA . 1 1 39 . ILE H H 1 . . 1 1 39 . ILE HA H 1 . 2.91 . . 1.5 . . . . . . . . . . . 6173 1
17 3JHNHA . 1 1 41 . ARG H H 1 . . 1 1 41 . ARG HA H 1 . 5.55 . . 1.5 . . . . . . . . . . . 6173 1
18 3JHNHA . 1 1 43 . VAL H H 1 . . 1 1 43 . VAL HA H 1 . 7.68 . . 1.5 . . . . . . . . . . . 6173 1
19 3JHNHA . 1 1 45 . TRP H H 1 . . 1 1 45 . TRP HA H 1 . 8.23 . . 1.5 . . . . . . . . . . . 6173 1
20 3JHNHA . 1 1 46 . LYS H H 1 . . 1 1 46 . LYS HA H 1 . 7.15 . . 1.5 . . . . . . . . . . . 6173 1
21 3JHNHA . 1 1 47 . SER H H 1 . . 1 1 47 . SER HA H 1 . 4.04 . . 1.5 . . . . . . . . . . . 6173 1
22 3JHNHA . 1 1 51 . LYS H H 1 . . 1 1 51 . LYS HA H 1 . 5.97 . . 1.5 . . . . . . . . . . . 6173 1
23 3JHNHA . 1 1 52 . ILE H H 1 . . 1 1 52 . ILE HA H 1 . 7.12 . . 1.5 . . . . . . . . . . . 6173 1
24 3JHNHA . 1 1 53 . LEU H H 1 . . 1 1 53 . LEU HA H 1 . 8.39 . . 1.5 . . . . . . . . . . . 6173 1
25 3JHNHA . 1 1 54 . LYS H H 1 . . 1 1 54 . LYS HA H 1 . 6.99 . . 1.5 . . . . . . . . . . . 6173 1
26 3JHNHA . 1 1 56 . LYS H H 1 . . 1 1 56 . LYS HA H 1 . 7.71 . . 1.5 . . . . . . . . . . . 6173 1
27 3JHNHA . 1 1 58 . VAL H H 1 . . 1 1 58 . VAL HA H 1 . 9.04 . . 1.5 . . . . . . . . . . . 6173 1
28 3JHNHA . 1 1 61 . HIS H H 1 . . 1 1 61 . HIS HA H 1 . 8.3 . . 1.5 . . . . . . . . . . . 6173 1
29 3JHNHA . 1 1 63 . THR H H 1 . . 1 1 63 . THR HA H 1 . 8.49 . . 1.5 . . . . . . . . . . . 6173 1
30 3JHNHA . 1 1 64 . LYS H H 1 . . 1 1 64 . LYS HA H 1 . 8.21 . . 1.5 . . . . . . . . . . . 6173 1
31 3JHNHA . 1 1 66 . ALA H H 1 . . 1 1 66 . ALA HA H 1 . 4.76 . . 1.5 . . . . . . . . . . . 6173 1
32 3JHNHA . 1 1 67 . VAL H H 1 . . 1 1 67 . VAL HA H 1 . 6.75 . . 1.5 . . . . . . . . . . . 6173 1
33 3JHNHA . 1 1 68 . ARG H H 1 . . 1 1 68 . ARG HA H 1 . 7.72 . . 1.5 . . . . . . . . . . . 6173 1
34 3JHNHA . 1 1 69 . ALA H H 1 . . 1 1 69 . ALA HA H 1 . 8.34 . . 1.5 . . . . . . . . . . . 6173 1
35 3JHNHA . 1 1 70 . ARG H H 1 . . 1 1 70 . ARG HA H 1 . 8.06 . . 1.5 . . . . . . . . . . . 6173 1
36 3JHNHA . 1 1 71 . PHE H H 1 . . 1 1 71 . PHE HA H 1 . 8.51 . . 1.5 . . . . . . . . . . . 6173 1
37 3JHNHA . 1 1 73 . LYS H H 1 . . 1 1 73 . LYS HA H 1 . 6.91 . . 1.5 . . . . . . . . . . . 6173 1
38 3JHNHA . 1 1 82 . ASP H H 1 . . 1 1 82 . ASP HA H 1 . 5.62 . . 1.5 . . . . . . . . . . . 6173 1
39 3JHNHA . 1 1 84 . VAL H H 1 . . 1 1 84 . VAL HA H 1 . 8.3 . . 1.5 . . . . . . . . . . . 6173 1
40 3JHNHA . 1 1 85 . GLU H H 1 . . 1 1 85 . GLU HA H 1 . 8.34 . . 1.5 . . . . . . . . . . . 6173 1
41 3JHNHA . 1 1 88 . LEU H H 1 . . 1 1 88 . LEU HA H 1 . 6.76 . . 1.5 . . . . . . . . . . . 6173 1
42 3JHNHA . 1 1 89 . GLU H H 1 . . 1 1 89 . GLU HA H 1 . 6.26 . . 1.5 . . . . . . . . . . . 6173 1
stop_
save_
#########################
# Spectral peak lists #
#########################
save_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_1
_Spectral_peak_list.Entry_ID 6173
_Spectral_peak_list.ID 1
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_PfR48.NC.RX.7.85
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $Sample_condition_list_1
_Spectral_peak_list.Experiment_ID .
_Spectral_peak_list.Experiment_name .
_Spectral_peak_list.Number_of_spectral_dimensions 4
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
#Index 1Dim 2Dim 3Dim 4Dim Intensity Workbook
1 4.560 4.571 14.786 13.337 -373173 CC_NOESY
2 4.750 2.233 27.446 13.337 101743 CC_NOESY
3 4.454 3.659 23.919 13.610 64887 CC_NOESY
4 3.777 0.816 13.545 13.636 379328 CC_NOESY
5 1.838 1.052 24.287 13.643 93026 CC_NOESY
6 1.921 1.146 25.309 13.651 65442 CC_NOESY
7 1.657 0.873 25.153 13.651 150874 CC_NOESY
8 1.938 1.140 21.703 13.659 60047 CC_NOESY
9 1.810 1.022 23.025 13.670 72850 CC_NOESY
10 0.861 0.871 25.215 13.671 -1266686 CC_NOESY
11 0.909 0.922 21.480 13.676 -730195 CC_NOESY
12 1.675 1.710 29.042 13.690 -257154 CC_NOESY
13 0.874 0.888 18.781 13.701 -452765 CC_NOESY
14 1.687 0.909 17.700 13.707 47058 CC_NOESY
15 2.254 2.282 15.698 13.712 63310 CC_NOESY
16 1.637 0.853 18.869 13.721 55340 CC_NOESY
17 1.713 0.927 21.555 13.726 93663 CC_NOESY
18 0.851 0.065 23.405 13.754 32724 CC_NOESY
19 1.662 0.867 13.914 13.758 78969 CC_NOESY
20 2.000 1.236 24.584 13.766 23657 CC_NOESY
21 0.882 1.878 15.629 13.776 37074 CC_NOESY
22 0.895 0.907 33.111 13.801 619946 CC_NOESY
23 5.123 1.956 33.443 13.877 41298 CC_NOESY
24 4.686 1.481 28.155 14.075 40036 CC_NOESY
25 3.796 4.324 14.128 14.171 20615 CC_NOESY
26 4.762 2.059 27.789 14.215 136659 CC_NOESY
27 4.895 4.682 20.498 14.583 58093 CC_NOESY
28 4.713 1.959 23.075 14.598 -79054 CC_NOESY
29 4.833 1.399 13.295 14.689 -125007 CC_NOESY
30 4.834 1.955 20.969 14.759 234192 CC_NOESY
31 4.882 4.418 14.647 14.761 44446 CC_NOESY
32 4.882 1.501 22.553 14.779 -85543 CC_NOESY
33 4.838 3.919 31.962 14.809 161399 CC_NOESY
34 4.885 5.062 17.756 14.814 71807 CC_NOESY
35 4.833 1.162 21.636 14.860 192732 CC_NOESY
36 4.910 2.446 16.006 14.881 47371 CC_NOESY
37 4.845 1.333 27.821 14.881 -150630 CC_NOESY
38 4.559 4.569 13.492 14.889 -249296 CC_NOESY
39 1.688 1.702 28.989 14.962 163763 CC_NOESY
40 4.884 1.503 27.815 15.082 55287 CC_NOESY
41 4.889 1.948 32.754 15.222 74965 CC_NOESY
42 4.915 4.133 16.426 15.263 50835 CC_NOESY
43 3.538 4.297 15.008 15.285 29558 CC_NOESY
44 4.880 3.966 24.686 15.290 75195 CC_NOESY
45 4.905 3.943 32.712 15.505 48200 CC_NOESY
46 4.913 1.793 20.002 15.507 54186 CC_NOESY
47 4.862 0.842 17.879 15.599 74199 CC_NOESY
48 0.768 0.781 18.155 15.672 -170839 CC_NOESY
49 2.435 2.234 28.121 15.879 27642 CC_NOESY
50 4.844 1.007 23.379 15.988 -140061 CC_NOESY
51 4.878 3.863 25.465 16.179 79511 CC_NOESY
52 4.885 4.587 14.486 16.186 -86737 CC_NOESY
53 4.835 4.140 16.300 16.365 -224407 CC_NOESY
54 4.827 1.739 31.237 16.393 153366 CC_NOESY
55 4.883 4.760 32.279 16.516 102080 CC_NOESY
56 4.884 0.896 14.084 16.805 -67130 CC_NOESY
57 4.856 4.298 23.869 17.093 -120459 CC_NOESY
58 4.837 4.370 32.705 17.185 149333 CC_NOESY
59 4.867 4.638 18.514 17.201 116345 CC_NOESY
60 4.918 1.895 29.094 17.247 57889 CC_NOESY
61 4.843 3.255 22.434 17.277 179972 CC_NOESY
62 4.836 1.804 32.434 17.282 -208734 CC_NOESY
63 4.857 3.220 31.046 17.312 125797 CC_NOESY
64 4.707 1.531 15.742 17.371 -52987 CC_NOESY
65 4.738 5.126 14.300 17.400 70074 CC_NOESY
66 4.887 2.604 20.739 17.545 96786 CC_NOESY
67 4.219 4.229 15.919 17.551 -122584 CC_NOESY
68 4.839 5.381 29.473 17.599 -263888 CC_NOESY
69 4.710 4.634 28.218 17.654 48058 CC_NOESY
70 4.886 1.838 26.803 17.672 55835 CC_NOESY
71 4.844 4.356 14.594 17.687 104099 CC_NOESY
72 4.839 5.018 16.251 17.689 118931 CC_NOESY
73 4.826 0.627 13.627 17.710 125098 CC_NOESY
74 4.760 0.818 18.814 17.725 138608 CC_NOESY
75 1.829 0.958 17.721 17.795 -41354 CC_NOESY
76 4.911 1.975 23.634 17.851 55284 CC_NOESY
77 0.511 0.523 19.489 17.875 -153818 CC_NOESY
78 4.843 1.150 21.315 17.895 191438 CC_NOESY
79 4.704 5.207 13.295 17.910 50414 CC_NOESY
80 4.828 1.618 28.504 17.953 164310 CC_NOESY
81 4.921 2.129 28.439 18.008 54563 CC_NOESY
82 4.912 1.484 31.700 18.061 52758 CC_NOESY
83 4.771 3.229 21.080 18.198 138873 CC_NOESY
84 4.839 1.408 13.295 18.252 134791 CC_NOESY
85 4.739 1.764 16.221 18.287 49842 CC_NOESY
86 4.886 1.400 13.295 18.289 82335 CC_NOESY
87 4.732 1.356 20.763 18.297 45588 CC_NOESY
88 4.687 4.011 22.459 18.308 40047 CC_NOESY
89 2.740 1.618 32.726 18.316 26846 CC_NOESY
90 4.832 1.730 15.177 18.411 173504 CC_NOESY
91 0.471 0.813 27.344 18.430 33647 CC_NOESY
92 4.913 4.310 23.920 18.490 76515 CC_NOESY
93 4.911 1.346 24.000 18.638 79598 CC_NOESY
94 4.897 1.079 24.271 18.713 66718 CC_NOESY
95 2.733 1.852 26.833 18.756 20785 CC_NOESY
96 4.885 1.691 32.857 19.126 48114 CC_NOESY
97 4.827 3.980 24.337 19.326 94537 CC_NOESY
98 4.828 3.073 21.608 19.363 177819 CC_NOESY
99 2.707 4.249 17.682 19.410 17283 CC_NOESY
100 4.834 4.651 20.700 19.675 207295 CC_NOESY
101 4.828 1.399 13.746 19.779 -109702 CC_NOESY
102 4.779 3.117 22.883 19.827 147034 CC_NOESY
103 2.730 5.008 18.466 19.874 23263 CC_NOESY
104 4.849 4.369 23.241 20.070 -85041 CC_NOESY
105 4.805 4.817 13.295 20.150 532954 CC_NOESY
106 4.839 3.823 22.679 20.185 -216667 CC_NOESY
107 4.678 4.001 24.599 20.739 41298 CC_NOESY
108 2.720 5.061 32.759 20.890 19031 CC_NOESY
109 2.727 1.689 26.890 20.909 17795 CC_NOESY
110 2.694 1.749 27.496 20.956 16720 CC_NOESY
111 4.676 1.889 28.790 21.052 41611 CC_NOESY
112 2.720 1.455 26.921 21.080 25920 CC_NOESY
113 2.704 3.637 23.987 21.230 16625 CC_NOESY
114 2.940 4.260 17.404 21.425 23641 CC_NOESY
115 2.991 1.698 30.987 21.455 29496 CC_NOESY
116 2.919 0.821 14.545 21.501 17584 CC_NOESY
117 1.581 0.798 21.729 21.727 74554 CC_NOESY
118 3.793 0.887 25.186 22.447 44855 CC_NOESY
119 3.170 4.186 21.137 22.710 16771 CC_NOESY
120 3.148 2.671 21.562 22.719 16811 CC_NOESY
121 3.107 5.185 24.670 22.721 16337 CC_NOESY
122 3.147 1.170 24.886 22.727 21949 CC_NOESY
123 3.172 4.453 21.645 22.927 18498 CC_NOESY
124 2.960 1.667 13.295 23.004 21307 CC_NOESY
125 0.940 0.707 16.136 23.023 32044 CC_NOESY
126 4.395 3.594 23.920 24.046 -43715 CC_NOESY
127 0.901 1.575 21.391 24.053 17005 CC_NOESY
128 3.155 3.755 22.365 24.244 17272 CC_NOESY
129 -0.099 0.749 22.057 24.660 18244 CC_NOESY
130 0.984 4.289 15.295 25.127 17681 CC_NOESY
131 1.658 0.877 25.155 25.191 89462 CC_NOESY
132 0.853 1.864 23.564 25.820 -42160 CC_NOESY
133 1.588 4.260 15.252 27.260 18206 CC_NOESY
134 1.724 1.738 32.601 27.678 61401 CC_NOESY
135 1.553 2.885 20.969 29.412 -159635 CC_NOESY
136 3.171 0.805 23.872 30.598 19673 CC_NOESY
137 2.824 2.841 30.947 31.001 282233 CC_NOESY
138 2.750 1.020 24.070 31.089 19759 CC_NOESY
139 4.882 3.064 21.788 31.154 89048 CC_NOESY
140 0.126 3.112 22.727 31.280 32692 CC_NOESY
141 2.759 3.488 21.735 31.358 24507 CC_NOESY
142 4.916 3.626 24.125 31.430 49635 CC_NOESY
143 4.888 3.919 25.933 31.520 85531 CC_NOESY
144 4.916 1.576 27.203 31.804 64049 CC_NOESY
145 4.841 1.504 28.503 32.005 138986 CC_NOESY
146 4.828 2.230 23.081 32.127 -212433 CC_NOESY
147 4.736 4.201 31.436 32.187 85421 CC_NOESY
148 2.171 2.184 13.295 32.284 169946 CC_NOESY
149 4.833 4.651 18.717 32.308 187090 CC_NOESY
150 4.733 1.496 18.563 32.382 81748 CC_NOESY
151 4.712 1.037 27.507 32.429 -47973 CC_NOESY
152 4.737 1.966 13.577 32.432 118777 CC_NOESY
153 4.863 2.438 16.072 32.496 -101854 CC_NOESY
154 4.764 2.062 28.602 32.615 103678 CC_NOESY
155 4.738 5.024 16.210 32.725 48392 CC_NOESY
156 4.842 5.081 17.815 32.873 177491 CC_NOESY
157 0.800 2.878 20.948 32.921 67682 CC_NOESY
158 4.713 1.544 24.627 32.936 -68478 CC_NOESY
159 4.841 0.517 22.698 32.978 -152972 CC_NOESY
160 1.659 0.876 25.179 33.028 60546 CC_NOESY
161 1.606 0.820 23.858 33.032 24649 CC_NOESY
162 1.718 1.496 25.079 33.050 -70699 CC_NOESY
163 4.913 4.632 28.006 33.216 77066 CC_NOESY
164 4.759 5.415 33.017 33.242 -147688 CC_NOESY
165 4.890 4.406 17.508 33.273 95880 CC_NOESY
166 4.889 2.297 13.295 33.331 124502 CC_NOESY
167 4.914 5.200 14.307 33.419 44624 CC_NOESY
168 4.913 4.979 15.959 33.463 48635 CC_NOESY
169 4.739 2.296 16.041 33.477 89612 CC_NOESY
170 4.737 3.916 25.598 33.483 -62682 CC_NOESY
171 5.160 0.921 21.504 13.601 44937 CC_NOESY
172 1.709 1.532 27.738 32.984 64661 CC_NOESY
173 1.713 0.936 21.555 33.063 61191 CC_NOESY
174 3.096 1.724 32.687 23.079 -51080 CC_NOESY
175 1.523 1.737 32.695 27.726 69642 CC_NOESY
176 1.505 0.920 21.493 27.733 38164 CC_NOESY
177 1.501 3.118 22.755 27.363 -112426 CC_NOESY
178 1.502 1.519 27.210 27.251 984902 CC_NOESY
179 4.657 4.667 18.704 18.704 131242 CC_NOESY
180 2.001 2.013 20.698 20.699 125149 CC_NOESY
181 2.001 0.977 17.735 20.695 -63956 CC_NOESY
182 0.857 2.009 20.648 14.052 -49933 CC_NOESY
183 0.858 0.870 13.933 13.998 2570632 CC_NOESY
184 0.858 1.455 27.179 14.056 90439 CC_NOESY
185 0.860 1.085 27.182 13.999 124275 CC_NOESY
186 0.857 0.756 22.959 14.019 81404 CC_NOESY
187 1.447 0.878 13.955 27.230 85178 CC_NOESY
188 1.446 1.096 27.175 27.243 60437 CC_NOESY
189 1.085 0.874 13.956 27.189 99006 CC_NOESY
190 1.083 1.468 27.203 27.227 61090 CC_NOESY
191 0.966 4.685 18.732 17.691 22229 CC_NOESY
192 0.964 2.011 20.667 17.744 -81664 CC_NOESY
193 0.965 0.856 13.917 17.748 141010 CC_NOESY
194 0.965 1.453 27.176 17.748 36227 CC_NOESY
195 0.965 1.096 27.161 17.801 43902 CC_NOESY
196 0.964 0.975 17.695 17.739 3231164 CC_NOESY
197 0.967 0.703 14.033 17.774 44918 CC_NOESY
198 5.176 1.858 14.697 14.496 -52652 CC_NOESY
199 1.865 1.494 29.235 14.774 -50354 CC_NOESY
200 1.840 1.594 25.479 14.730 -101949 CC_NOESY
201 1.826 2.710 20.975 14.633 18684 CC_NOESY
202 1.838 1.854 14.634 14.663 449755 CC_NOESY
203 1.478 1.857 14.749 29.302 -62372 CC_NOESY
204 1.478 1.487 25.653 29.289 235854 CC_NOESY
205 1.478 1.493 29.244 29.287 1699786 CC_NOESY
206 1.474 2.706 20.959 29.299 -100910 CC_NOESY
207 1.478 1.028 25.466 29.297 39130 CC_NOESY
208 2.704 1.848 14.951 21.021 34817 CC_NOESY
209 2.702 1.571 25.570 20.980 -42349 CC_NOESY
210 2.701 1.490 29.257 20.981 -85550 CC_NOESY
211 2.699 2.713 20.960 21.002 4131126 CC_NOESY
212 1.605 1.478 29.240 25.634 138854 CC_NOESY
213 1.474 1.487 29.239 25.701 186901 CC_NOESY
214 1.604 1.607 25.551 25.599 461334 CC_NOESY
215 1.596 1.853 14.739 25.603 -87036 CC_NOESY
216 1.479 1.850 14.689 25.515 -81806 CC_NOESY
217 3.119 5.165 24.274 24.285 16363 CC_NOESY
218 3.136 3.149 24.061 24.246 62171 CC_NOESY
219 4.899 4.957 18.807 18.800 92349 CC_NOESY
220 4.940 0.798 21.374 18.686 77993 CC_NOESY
221 4.930 5.733 16.127 18.699 51309 CC_NOESY
222 1.766 1.781 14.813 14.852 431001 CC_NOESY
223 1.763 0.796 21.349 14.839 -106753 CC_NOESY
224 0.780 1.040 25.501 21.527 52185 CC_NOESY
225 0.782 1.019 23.179 21.661 151219 CC_NOESY
226 0.792 1.686 28.384 21.774 18704 CC_NOESY
227 0.776 5.748 15.982 21.715 18117 CC_NOESY
228 0.780 0.795 21.724 21.759 6351526 CC_NOESY
229 2.285 0.536 22.216 31.647 47887 CC_NOESY
230 2.286 0.734 22.144 31.639 51855 CC_NOESY
231 2.288 3.559 15.550 31.755 19600 CC_NOESY
232 0.518 3.768 22.443 22.326 20771 CC_NOESY
233 0.521 2.297 31.613 22.312 59542 CC_NOESY
234 0.519 0.534 22.256 22.296 1085553 CC_NOESY
235 0.517 3.555 15.592 22.253 47795 CC_NOESY
236 0.724 3.765 22.696 21.811 21174 CC_NOESY
237 0.721 2.296 31.582 22.185 66564 CC_NOESY
238 0.702 0.929 28.190 22.408 18372 CC_NOESY
239 4.390 0.766 22.367 14.402 105528 CC_NOESY
240 0.755 4.401 14.371 22.427 73109 CC_NOESY
241 0.754 1.641 26.683 22.439 63621 CC_NOESY
# 242 0.776 1.513 18.744 22.163 17575 CC_NOESY
243 0.809 1.491 22.613 25.748 -47097 CC_NOESY
244 0.808 0.482 18.421 25.755 82163 CC_NOESY
245 0.809 1.529 18.777 25.767 49698 CC_NOESY
246 1.624 0.765 22.463 26.727 43282 CC_NOESY
247 4.337 3.804 22.754 16.464 65160 CC_NOESY
248 4.337 0.870 25.128 16.402 41066 CC_NOESY
249 4.338 0.570 23.798 16.480 55079 CC_NOESY
250 3.802 3.809 22.707 22.740 386588 CC_NOESY
251 3.667 3.789 22.773 22.818 171656 CC_NOESY
252 3.653 3.667 22.851 22.656 172829 CC_NOESY
253 2.863 2.880 19.714 19.645 87253 CC_NOESY
254 4.412 4.436 14.202 14.260 314860 CC_NOESY
255 4.431 1.520 27.311 13.947 49278 CC_NOESY
256 1.808 1.470 31.618 31.648 51006 CC_NOESY
257 1.471 1.813 31.621 31.672 50896 CC_NOESY
258 1.467 1.477 31.630 31.696 66799 CC_NOESY
259 1.455 1.504 27.184 31.647 60147 CC_NOESY
260 3.143 1.800 31.285 22.778 -93733 CC_NOESY
261 1.492 1.460 31.635 27.256 59728 CC_NOESY
262 1.497 4.444 13.905 27.279 19053 CC_NOESY
263 1.498 1.807 31.614 27.288 68156 CC_NOESY
264 4.558 4.570 14.781 14.831 3172795 CC_NOESY
265 4.582 1.803 31.299 14.234 48360 CC_NOESY
266 4.583 1.617 27.283 14.513 57158 CC_NOESY
267 1.817 1.617 27.312 31.264 152059 CC_NOESY
268 1.748 1.782 31.313 31.352 240753 CC_NOESY
269 1.747 1.605 27.287 31.346 103263 CC_NOESY
270 3.145 1.620 27.335 22.815 -189666 CC_NOESY
271 3.144 3.159 22.797 22.839 5045821 CC_NOESY
272 1.593 1.792 31.306 27.324 161392 CC_NOESY
273 1.589 1.601 27.440 27.485 1431531 CC_NOESY
274 4.529 4.546 16.327 16.395 210616 CC_NOESY
275 4.530 3.893 23.176 16.354 58823 CC_NOESY
276 4.000 3.896 23.174 23.210 155339 CC_NOESY
277 3.863 3.881 22.767 22.780 279013 CC_NOESY
278 4.168 1.854 32.640 16.633 162380 CC_NOESY
279 4.193 1.717 29.173 16.319 45975 CC_NOESY
280 4.177 1.479 25.143 16.452 71020 CC_NOESY
281 1.843 4.187 16.517 32.650 102701 CC_NOESY
282 1.842 1.854 32.658 32.696 1343773 CC_NOESY
283 1.849 1.697 29.124 32.658 102606 CC_NOESY
284 1.848 1.474 24.984 32.676 138443 CC_NOESY
285 1.690 1.870 32.603 29.168 71774 CC_NOESY
286 1.706 4.200 16.273 29.217 33561 CC_NOESY
287 1.687 1.702 29.066 29.113 6297634 CC_NOESY
288 1.691 1.474 24.986 29.143 944521 CC_NOESY
289 2.996 1.698 28.932 21.437 -342989 CC_NOESY
290 2.993 1.451 25.001 21.384 -148832 CC_NOESY
291 2.991 3.004 21.370 21.413 26231090 CC_NOESY
292 1.452 1.849 32.651 25.020 140369 CC_NOESY
293 1.469 1.718 29.141 25.050 721749 CC_NOESY
294 1.493 3.031 21.424 24.982 -109121 CC_NOESY
295 1.463 1.470 24.969 25.010 2704512 CC_NOESY
296 4.210 2.050 29.705 16.142 94683 CC_NOESY
297 4.208 2.276 15.830 16.087 -120488 CC_NOESY
298 4.198 4.206 16.205 16.251 1249760 CC_NOESY
299 2.066 2.074 29.873 29.888 485843 CC_NOESY
300 2.057 2.279 15.784 29.786 -228544 CC_NOESY
301 1.948 4.214 16.096 29.650 32639 CC_NOESY
302 1.949 1.980 29.707 29.765 374690 CC_NOESY
303 1.947 2.277 15.785 29.722 -162376 CC_NOESY
304 2.264 4.218 15.942 15.867 -81678 CC_NOESY
305 2.266 2.058 29.729 15.807 -215005 CC_NOESY
306 2.266 2.280 15.819 15.858 2516796 CC_NOESY
307 4.686 4.703 32.596 32.636 123008 CC_NOESY
308 2.884 2.893 18.265 18.325 236955 CC_NOESY
309 2.887 2.747 18.271 18.348 153192 CC_NOESY
310 2.704 4.684 32.685 18.536 24672 CC_NOESY
311 4.243 1.867 29.031 15.215 51798 CC_NOESY
312 4.245 4.258 15.297 15.338 1321796 CC_NOESY
313 1.842 4.267 15.237 29.085 32291 CC_NOESY
314 2.174 4.256 15.188 13.337 -51336 CC_NOESY
315 2.178 1.868 29.051 13.337 -106065 CC_NOESY
316 4.667 4.682 14.258 14.308 168885 CC_NOESY
317 3.156 3.172 30.740 30.781 1914111 CC_NOESY
318 3.024 3.028 30.827 30.865 5166152 CC_NOESY
319 2.715 2.736 17.917 17.791 287410 CC_NOESY
320 3.129 3.146 18.131 18.261 40053 CC_NOESY
321 3.117 2.516 18.151 18.166 22197 CC_NOESY
322 2.514 3.151 18.402 18.294 19752 CC_NOESY
323 2.497 2.513 18.055 18.157 30752 CC_NOESY
324 5.101 5.107 19.801 19.890 74854 CC_NOESY
325 5.094 0.914 21.521 20.052 68423 CC_NOESY
326 1.956 1.960 13.295 13.337 222448 CC_NOESY
327 0.919 5.109 19.783 21.709 33124 CC_NOESY
328 0.908 3.199 22.797 21.659 -42626 CC_NOESY
329 0.910 1.965 13.295 21.615 -99366 CC_NOESY
330 0.908 0.921 21.480 21.524 6505288 CC_NOESY
331 0.774 5.105 19.987 21.954 26619 CC_NOESY
332 0.773 1.963 13.295 21.869 -74950 CC_NOESY
333 0.776 5.179 13.295 21.911 17606 CC_NOESY
334 1.868 1.879 15.593 15.662 256122 CC_NOESY
335 2.173 2.175 32.295 32.312 185369 CC_NOESY
336 4.738 0.858 26.030 18.129 79510 CC_NOESY
337 4.741 4.873 16.585 17.693 80101 CC_NOESY
338 1.742 0.151 31.282 15.508 23918 CC_NOESY
339 1.737 0.490 18.408 15.392 -46107 CC_NOESY
340 0.131 1.758 15.268 31.239 23138 CC_NOESY
341 0.129 0.143 31.252 31.297 2168092 CC_NOESY
342 0.129 0.483 18.408 31.289 -129132 CC_NOESY
343 0.860 0.492 18.332 27.436 26757 CC_NOESY
344 0.739 0.500 18.381 27.496 18519 CC_NOESY
345 0.515 0.768 22.245 18.217 153509 CC_NOESY
346 0.474 0.828 25.675 18.453 71513 CC_NOESY
347 0.472 1.740 15.346 18.458 -54177 CC_NOESY
348 0.472 0.145 31.262 18.458 -103409 CC_NOESY
349 0.474 1.525 18.731 18.405 65446 CC_NOESY
350 0.488 0.499 18.391 18.447 1486508 CC_NOESY
351 1.421 0.523 17.594 22.205 -47347 CC_NOESY
352 1.424 0.704 18.013 22.265 -45174 CC_NOESY
353 1.438 1.441 22.273 22.314 104849 CC_NOESY
354 0.747 3.765 22.409 15.929 17830 CC_NOESY
355 0.748 0.757 15.970 16.015 1715703 CC_NOESY
356 0.748 1.334 28.148 15.994 70318 CC_NOESY
357 0.747 0.963 28.142 16.026 72635 CC_NOESY
358 0.748 0.525 17.835 16.035 142801 CC_NOESY
359 0.748 1.073 23.945 16.029 114776 CC_NOESY
360 1.322 0.762 15.980 28.190 54568 CC_NOESY
361 1.325 0.973 28.131 28.160 46557 CC_NOESY
362 1.323 0.524 17.823 28.266 30015 CC_NOESY
363 0.954 0.758 15.968 28.188 60096 CC_NOESY
364 0.944 1.340 28.153 28.184 40144 CC_NOESY
365 0.952 0.518 17.673 28.162 23746 CC_NOESY
366 1.320 1.333 28.196 28.263 83568 CC_NOESY
367 0.502 1.441 22.276 17.788 -48929 CC_NOESY
368 0.511 0.760 15.965 17.867 139448 CC_NOESY
369 0.512 1.342 28.137 17.827 28619 CC_NOESY
370 0.511 0.958 28.224 17.691 36219 CC_NOESY
371 1.685 2.141 14.246 14.096 16455 CC_NOESY
372 4.808 5.071 29.963 19.510 -148813 CC_NOESY
373 2.040 0.866 20.930 30.705 22535 CC_NOESY
374 2.032 0.692 13.900 30.673 20628 CC_NOESY
375 1.889 0.874 21.043 30.747 27767 CC_NOESY
376 2.001 1.463 28.238 28.329 18522 CC_NOESY
377 2.029 0.913 26.528 28.295 18566 CC_NOESY
378 4.091 1.018 23.214 16.091 107642 CC_NOESY
379 1.795 1.799 19.933 20.013 57266 CC_NOESY
380 1.794 1.620 19.987 19.978 57698 CC_NOESY
381 1.596 1.786 19.974 20.032 56457 CC_NOESY
382 1.593 1.034 25.501 20.029 -51288 CC_NOESY
383 1.012 1.852 14.713 25.443 -72208 CC_NOESY
384 1.017 1.490 29.247 25.522 39879 CC_NOESY
385 1.019 0.787 21.531 25.524 48094 CC_NOESY
386 1.020 4.135 16.129 25.534 20185 CC_NOESY
387 1.020 1.786 19.975 25.590 -44062 CC_NOESY
388 1.017 1.615 19.974 25.537 -57215 CC_NOESY
389 1.016 1.030 25.468 25.536 4406077 CC_NOESY
390 1.016 1.715 28.151 25.521 95640 CC_NOESY
391 1.005 4.105 16.059 23.260 99016 CC_NOESY
392 1.003 1.619 19.910 23.243 -45948 CC_NOESY
393 1.006 1.018 23.047 23.093 4826696 CC_NOESY
394 1.004 1.712 28.169 23.229 88018 CC_NOESY
395 1.690 0.805 21.645 28.469 17554 CC_NOESY
396 1.706 1.031 25.491 28.182 75130 CC_NOESY
397 4.453 2.982 19.753 14.247 -46274 CC_NOESY
398 2.963 2.721 19.787 19.856 109786 CC_NOESY
399 2.703 2.948 19.782 19.831 104513 CC_NOESY
400 4.160 0.991 21.911 21.083 58664 CC_NOESY
401 4.161 0.881 21.036 21.118 65764 CC_NOESY
402 4.156 4.170 21.110 21.162 270298 CC_NOESY
403 1.964 0.868 20.992 32.695 40912 CC_NOESY
404 0.971 4.172 21.009 21.966 47937 CC_NOESY
405 0.975 1.972 32.654 21.978 36107 CC_NOESY
406 0.978 2.164 30.937 21.956 48779 CC_NOESY
407 0.976 2.022 30.882 21.932 41770 CC_NOESY
408 0.976 3.841 13.851 21.973 64353 CC_NOESY
409 0.973 0.984 22.062 22.099 4503816 CC_NOESY
410 0.861 2.056 30.717 21.112 32034 CC_NOESY
411 0.860 1.971 32.661 21.053 44572 CC_NOESY
412 0.857 1.373 18.357 20.926 16056 CC_NOESY
413 5.398 5.410 32.532 32.557 154928 CC_NOESY
414 3.101 5.432 32.319 20.387 20550 CC_NOESY
415 3.107 2.625 20.440 20.462 52045 CC_NOESY
416 2.617 3.114 20.398 20.452 57005 CC_NOESY
417 4.885 4.372 25.618 15.052 92232 CC_NOESY
418 3.923 3.914 25.656 25.682 113120 CC_NOESY
419 4.222 1.872 30.674 17.585 40219 CC_NOESY
420 4.216 1.715 27.402 17.538 41953 CC_NOESY
421 4.218 1.375 18.365 17.536 59477 CC_NOESY
422 4.218 1.020 22.606 17.495 41019 CC_NOESY
423 4.236 4.250 17.192 17.234 564450 CC_NOESY
424 1.942 4.214 17.533 30.798 16412 CC_NOESY
425 1.920 3.186 22.931 30.792 -41224 CC_NOESY
426 1.925 1.714 27.352 30.705 89617 CC_NOESY
427 1.838 1.860 31.094 31.132 554214 CC_NOESY
428 1.694 4.242 17.453 27.367 23368 CC_NOESY
429 1.703 1.901 30.678 27.400 99985 CC_NOESY
430 1.694 3.205 22.972 27.383 -138381 CC_NOESY
431 1.713 1.396 18.440 27.302 16682 CC_NOESY
432 1.709 0.949 19.305 27.329 46981 CC_NOESY
433 1.706 1.716 27.398 27.452 708370 CC_NOESY
434 4.004 4.020 19.178 19.222 449429 CC_NOESY
435 4.004 2.153 28.923 19.222 48095 CC_NOESY
436 4.002 1.961 28.937 19.178 70250 CC_NOESY
437 2.146 4.017 19.196 28.974 38981 CC_NOESY
438 1.946 4.024 19.189 28.924 48568 CC_NOESY
439 1.941 2.475 16.382 28.955 -48178 CC_NOESY
440 1.953 1.965 28.901 28.931 586119 CC_NOESY
441 2.135 2.129 28.863 28.910 454884 CC_NOESY
442 2.465 1.958 28.908 16.379 -50388 CC_NOESY
443 2.461 2.300 16.346 16.398 228649 CC_NOESY
444 4.089 4.105 17.194 17.244 314133 CC_NOESY
445 3.828 0.985 21.914 13.887 59038 CC_NOESY
446 3.821 1.374 18.399 13.959 82551 CC_NOESY
447 1.348 0.863 21.250 18.400 18453 CC_NOESY
448 1.369 4.238 17.489 18.330 49798 CC_NOESY
449 1.371 1.915 30.712 18.300 18753 CC_NOESY
450 1.372 1.720 27.527 18.243 17708 CC_NOESY
451 1.365 3.837 13.875 18.403 86535 CC_NOESY
452 1.369 1.381 18.438 18.475 1504229 CC_NOESY
453 1.354 2.292 31.968 18.411 17421 CC_NOESY
454 1.366 0.923 19.418 18.335 21221 CC_NOESY
455 3.871 3.882 20.143 20.188 278745 CC_NOESY
456 3.870 4.006 21.645 20.218 84459 CC_NOESY
457 3.874 0.910 33.121 20.106 -65467 CC_NOESY
458 3.874 1.024 22.563 20.178 78880 CC_NOESY
459 3.991 3.881 20.092 21.654 73452 CC_NOESY
460 4.201 2.001 32.166 16.193 41767 CC_NOESY
461 2.006 4.207 16.183 32.123 33603 CC_NOESY
462 1.715 4.109 17.303 29.261 19003 CC_NOESY
463 1.715 2.005 32.139 29.218 38259 CC_NOESY
464 1.492 2.007 32.127 25.535 24534 CC_NOESY
465 1.628 4.229 15.975 25.322 16620 CC_NOESY
466 1.613 2.000 32.070 25.600 24525 CC_NOESY
467 1.632 1.859 32.084 25.644 20070 CC_NOESY
468 1.484 4.199 16.351 25.350 37479 CC_NOESY
469 4.124 4.144 33.449 33.496 115584 CC_NOESY
470 4.131 0.740 23.034 33.504 -75270 CC_NOESY
471 1.559 2.019 21.335 21.520 18737 CC_NOESY
472 2.004 1.584 21.508 21.503 25069 CC_NOESY
473 1.568 1.574 21.698 21.727 282920 CC_NOESY
474 0.908 0.920 26.602 26.648 1359499 CC_NOESY
475 0.908 0.741 23.009 26.635 172032 CC_NOESY
# 476 0.725 0.984 17.726 23.141 19407 CC_NOESY
477 0.727 4.138 33.455 23.066 -80144 CC_NOESY
478 0.727 0.924 26.607 23.058 150943 CC_NOESY
479 0.728 1.780 27.227 23.017 67148 CC_NOESY
480 0.730 0.738 22.668 22.721 3427283 CC_NOESY
481 1.768 0.749 22.997 27.369 49148 CC_NOESY
482 3.247 0.914 33.108 22.524 -42311 CC_NOESY
483 3.252 1.119 28.689 22.590 17663 CC_NOESY
484 3.242 1.627 28.968 22.598 20260 CC_NOESY
485 3.244 0.876 17.784 22.501 65987 CC_NOESY
486 1.866 0.913 33.097 15.678 54362 CC_NOESY
487 1.871 0.900 17.677 15.687 -102831 CC_NOESY
488 0.891 3.878 20.162 33.130 -63819 CC_NOESY
489 0.892 3.268 22.481 33.109 -45524 CC_NOESY
490 0.896 1.882 15.616 33.136 68844 CC_NOESY
491 0.894 0.908 33.116 33.149 3452522 CC_NOESY
492 0.891 1.102 28.791 33.130 -145067 CC_NOESY
493 0.893 0.765 18.119 33.119 -68965 CC_NOESY
494 0.898 1.030 22.559 33.122 -109935 CC_NOESY
495 1.095 0.912 33.111 28.781 -110611 CC_NOESY
496 1.095 1.108 28.763 28.862 77767 CC_NOESY
497 1.093 1.628 28.817 28.863 74388 CC_NOESY
498 1.091 0.891 17.754 28.838 37073 CC_NOESY
499 1.605 1.113 28.700 28.728 54335 CC_NOESY
500 1.614 0.884 17.792 28.827 42579 CC_NOESY
501 0.884 3.263 22.471 17.704 84003 CC_NOESY
502 0.882 1.883 15.636 17.712 -153611 CC_NOESY
503 0.883 1.114 28.799 17.751 51250 CC_NOESY
504 0.881 1.623 28.787 17.711 65029 CC_NOESY
505 0.883 0.899 17.688 17.720 3140908 CC_NOESY
506 3.640 3.651 23.928 23.970 6182609 CC_NOESY
507 4.495 4.526 24.088 24.040 42379 CC_NOESY
508 1.658 1.648 23.400 23.432 168168 CC_NOESY
509 1.589 1.629 23.362 23.410 141879 CC_NOESY
510 1.594 0.906 24.886 23.472 -50793 CC_NOESY
511 1.609 2.924 21.143 23.768 16780 CC_NOESY
512 0.987 1.638 23.430 24.881 -63255 CC_NOESY
513 0.876 1.621 23.397 24.991 -79534 CC_NOESY
514 0.877 1.708 29.471 24.981 36072 CC_NOESY
515 0.861 0.871 25.200 25.246 11884746 CC_NOESY
516 1.601 1.621 23.384 27.422 -165522 CC_NOESY
517 1.577 0.881 25.295 27.472 174379 CC_NOESY
518 4.999 0.803 22.168 17.909 61795 CC_NOESY
519 1.397 1.410 13.736 13.771 177038 CC_NOESY
520 1.396 0.758 22.360 13.859 -75494 CC_NOESY
521 0.776 1.405 13.718 22.248 -69229 CC_NOESY
522 0.706 1.403 13.703 22.573 -72767 CC_NOESY
523 0.701 0.823 14.429 22.718 55735 CC_NOESY
524 0.706 1.648 28.915 22.683 37487 CC_NOESY
525 0.705 1.071 23.970 22.585 95737 CC_NOESY
526 5.361 0.856 23.811 32.900 -69475 CC_NOESY
527 1.326 1.342 23.535 23.595 41785 CC_NOESY
528 1.319 1.857 23.596 23.499 31917 CC_NOESY
529 1.308 1.341 25.007 23.579 -78034 CC_NOESY
530 1.848 1.336 23.566 23.493 32566 CC_NOESY
531 1.871 1.879 23.530 23.719 32534 CC_NOESY
532 1.817 0.841 23.790 23.801 -51087 CC_NOESY
533 0.843 5.378 32.865 23.775 -46211 CC_NOESY
534 0.846 5.489 13.946 23.821 32006 CC_NOESY
535 0.844 1.350 25.193 23.841 55497 CC_NOESY
536 0.848 1.525 25.215 23.822 32471 CC_NOESY
537 5.013 5.035 15.743 15.595 70798 CC_NOESY
538 2.804 0.964 22.996 31.446 24927 CC_NOESY
539 7.322 0.970 23.007 23.117 -65390 CC_NOESY
540 1.509 1.332 32.651 32.684 79112 CC_NOESY
541 1.506 1.189 24.364 32.576 28987 CC_NOESY
542 1.508 1.049 24.403 32.834 28027 CC_NOESY
543 1.307 1.523 32.676 32.678 89026 CC_NOESY
544 1.307 1.329 32.606 32.655 87639 CC_NOESY
545 1.306 1.186 24.351 32.683 34142 CC_NOESY
546 1.303 1.027 24.537 32.697 36654 CC_NOESY
547 1.309 1.565 29.399 32.668 29922 CC_NOESY
548 1.555 1.320 32.684 29.488 35020 CC_NOESY
549 1.561 1.222 24.562 29.371 130523 CC_NOESY
550 1.556 1.036 24.440 29.450 70869 CC_NOESY
551 1.556 1.572 29.371 29.411 3180696 CC_NOESY
552 1.550 0.822 32.898 29.408 -41513 CC_NOESY
553 1.175 1.507 32.743 24.489 22783 CC_NOESY
554 1.185 1.333 32.594 24.402 28408 CC_NOESY
555 1.206 1.588 29.314 24.662 151152 CC_NOESY
556 1.014 4.312 13.725 24.540 21035 CC_NOESY
557 1.006 1.310 32.736 24.509 28828 CC_NOESY
558 3.222 3.239 15.127 15.179 87670 CC_NOESY
559 3.227 4.111 22.091 15.339 28781 CC_NOESY
560 3.225 3.492 22.127 15.215 30584 CC_NOESY
561 3.226 3.872 30.373 15.182 -51306 CC_NOESY
562 4.097 3.502 22.092 22.150 67412 CC_NOESY
563 3.482 4.105 22.083 22.089 66226 CC_NOESY
564 3.483 3.496 22.097 22.140 118238 CC_NOESY
565 4.277 4.294 24.053 24.090 329517 CC_NOESY
566 4.278 2.443 31.778 24.148 58382 CC_NOESY
567 2.435 4.294 23.992 31.806 51385 CC_NOESY
568 2.435 1.962 31.769 31.791 87943 CC_NOESY
569 2.433 2.161 27.911 31.822 49528 CC_NOESY
570 1.953 4.303 23.972 31.938 21607 CC_NOESY
571 1.947 2.445 31.815 31.820 76020 CC_NOESY
572 1.948 2.169 27.926 31.853 54054 CC_NOESY
573 3.847 3.240 15.153 30.445 -40377 CC_NOESY
574 3.854 2.165 27.933 30.351 -41236 CC_NOESY
575 3.849 3.868 30.348 30.388 134174 CC_NOESY
576 2.178 4.288 24.003 27.870 16412 CC_NOESY
577 2.186 2.441 31.744 27.949 44832 CC_NOESY
578 2.186 1.960 31.811 27.979 41932 CC_NOESY
579 2.184 2.176 27.865 27.905 211522 CC_NOESY
580 2.106 2.444 31.744 28.065 33033 CC_NOESY
581 2.114 1.965 31.797 27.888 32781 CC_NOESY
582 2.110 2.162 27.935 27.939 141609 CC_NOESY
583 4.399 4.032 22.365 17.210 87604 CC_NOESY
584 4.030 4.417 17.075 22.327 46755 CC_NOESY
585 3.307 3.313 24.252 24.322 56523 CC_NOESY
586 3.302 4.357 24.223 24.280 50250 CC_NOESY
587 4.347 1.039 24.458 24.524 -42376 CC_NOESY
588 4.354 3.319 24.265 24.299 54570 CC_NOESY
589 4.357 4.357 24.263 24.244 66007 CC_NOESY
590 4.238 1.643 32.883 14.528 88131 CC_NOESY
591 4.237 1.371 25.012 14.572 45718 CC_NOESY
592 4.240 1.676 28.772 14.584 40732 CC_NOESY
593 1.667 0.806 32.840 32.795 -54533 CC_NOESY
594 1.607 4.252 14.522 32.908 34494 CC_NOESY
595 1.614 1.390 24.974 32.912 107797 CC_NOESY
596 1.612 1.146 25.169 33.032 18356 CC_NOESY
597 1.606 1.639 32.878 32.925 396774 CC_NOESY
598 1.662 4.261 14.555 28.879 25725 CC_NOESY
599 1.403 1.644 32.861 25.011 118450 CC_NOESY
600 1.302 4.254 14.588 25.035 23132 CC_NOESY
601 1.303 1.629 32.894 25.055 89191 CC_NOESY
602 1.304 1.666 28.891 25.011 151480 CC_NOESY
603 1.311 1.325 24.998 25.042 909424 CC_NOESY
604 4.659 0.816 32.798 18.794 -62614 CC_NOESY
605 4.654 0.827 18.974 18.703 40473 CC_NOESY
606 1.869 1.881 17.528 17.567 267205 CC_NOESY
607 1.866 0.810 32.841 17.495 52162 CC_NOESY
608 1.869 1.617 27.837 17.573 -41766 CC_NOESY
609 1.868 0.842 18.859 17.566 -89430 CC_NOESY
610 0.800 1.880 17.548 32.914 69923 CC_NOESY
611 0.800 0.811 32.846 32.895 6732404 CC_NOESY
612 0.799 1.614 27.797 32.911 -130900 CC_NOESY
613 0.799 1.083 27.789 32.895 -161549 CC_NOESY
614 1.600 1.093 27.824 27.829 123912 CC_NOESY
615 1.602 0.851 18.868 27.832 48197 CC_NOESY
616 1.088 0.818 32.876 27.881 -113456 CC_NOESY
617 1.083 1.614 27.799 27.848 136779 CC_NOESY
618 1.084 1.093 27.758 27.810 202167 CC_NOESY
619 1.078 0.844 18.857 27.821 34649 CC_NOESY
620 0.835 0.847 18.860 18.907 3198624 CC_NOESY
621 0.832 1.337 25.174 18.901 23013 CC_NOESY
622 0.832 1.511 25.239 18.864 26427 CC_NOESY
623 4.924 1.834 14.612 33.294 43617 CC_NOESY
624 2.185 2.183 23.448 23.428 27510 CC_NOESY
625 2.180 1.981 23.367 23.456 31421 CC_NOESY
626 1.946 2.189 23.457 23.448 33226 CC_NOESY
627 1.947 1.969 23.414 23.418 63825 CC_NOESY
628 1.120 4.113 22.147 25.197 16446 CC_NOESY
629 1.127 3.492 22.010 25.233 23102 CC_NOESY
630 1.134 1.629 32.843 25.339 17007 CC_NOESY
631 1.123 1.136 25.292 25.337 5235641 CC_NOESY
632 1.122 1.960 28.844 25.330 77442 CC_NOESY
633 1.131 -0.087 24.301 25.427 17424 CC_NOESY
634 1.125 0.066 23.340 25.321 66216 CC_NOESY
635 1.038 1.649 32.905 24.369 30447 CC_NOESY
636 1.035 3.003 21.376 24.426 -45890 CC_NOESY
637 1.036 1.048 24.338 24.378 7584290 CC_NOESY
638 1.949 2.171 23.463 28.899 -44304 CC_NOESY
639 1.951 1.971 23.478 28.949 -79165 CC_NOESY
640 1.953 1.139 25.287 28.889 78239 CC_NOESY
641 1.958 1.049 24.344 28.887 70997 CC_NOESY
642 5.459 5.471 13.965 14.030 168552 CC_NOESY
643 1.815 2.960 21.217 14.883 18069 CC_NOESY
644 2.964 1.720 29.334 21.315 -218250 CC_NOESY
645 2.921 2.933 21.136 21.174 7362386 CC_NOESY
646 1.334 0.855 23.778 25.264 39856 CC_NOESY
647 1.324 0.853 18.848 25.170 20180 CC_NOESY
648 1.507 0.847 23.872 25.124 26028 CC_NOESY
649 5.137 1.567 15.946 13.337 -68146 CC_NOESY
650 5.153 5.168 13.295 13.337 273038 CC_NOESY
651 1.555 1.570 15.921 15.965 839061 CC_NOESY
652 1.552 2.937 21.062 15.873 39303 CC_NOESY
653 1.560 1.236 24.672 15.973 -137720 CC_NOESY
654 2.919 1.644 23.290 21.076 25537 CC_NOESY
655 2.912 1.565 15.885 21.097 51696 CC_NOESY
656 2.912 1.230 24.653 21.114 -81702 CC_NOESY
657 1.216 5.178 13.295 24.703 17221 CC_NOESY
658 1.211 1.561 15.924 24.698 -126299 CC_NOESY
659 1.213 2.922 21.050 24.714 -75736 CC_NOESY
660 1.223 0.965 22.092 24.696 25397 CC_NOESY
661 1.216 1.227 24.655 24.698 1348929 CC_NOESY
662 0.784 4.148 21.593 14.622 21218 CC_NOESY
663 0.785 2.174 15.466 14.648 -42015 CC_NOESY
664 0.782 0.798 14.518 14.580 1349439 CC_NOESY
665 0.798 0.745 18.084 14.651 99257 CC_NOESY
666 0.783 1.645 29.057 14.634 58123 CC_NOESY
667 0.794 1.082 23.928 14.656 24729 CC_NOESY
668 1.654 0.799 14.488 29.127 48942 CC_NOESY
669 0.776 0.925 26.686 18.105 36178 CC_NOESY
670 0.761 3.259 22.456 18.271 63886 CC_NOESY
671 0.758 1.119 28.807 18.273 16029 CC_NOESY
672 0.777 2.110 30.513 18.290 22511 CC_NOESY
673 0.768 4.161 21.473 18.169 35867 CC_NOESY
674 0.771 1.645 28.666 18.163 44026 CC_NOESY
675 0.768 2.223 15.556 18.225 -86596 CC_NOESY
676 0.775 1.068 23.986 18.210 17206 CC_NOESY
677 4.647 4.668 20.625 20.662 106211 CC_NOESY
678 4.637 2.296 13.295 20.606 -86589 CC_NOESY
679 4.640 0.983 22.167 20.608 105579 CC_NOESY
680 2.307 2.327 13.503 13.551 499185 CC_NOESY
681 2.290 0.986 22.138 13.337 -130904 CC_NOESY
682 2.292 0.892 18.790 13.337 -99783 CC_NOESY
683 2.285 3.210 22.825 13.693 19647 CC_NOESY
684 0.977 1.245 24.631 22.258 35746 CC_NOESY
685 0.974 4.655 20.552 22.250 27690 CC_NOESY
686 0.973 2.301 13.295 22.190 -104445 CC_NOESY
687 0.975 0.868 18.792 22.218 158846 CC_NOESY
688 0.965 1.714 33.504 22.141 30541 CC_NOESY
689 0.951 1.516 27.801 21.994 28274 CC_NOESY
690 0.879 4.169 21.375 18.866 17844 CC_NOESY
691 0.882 1.890 27.117 18.836 33395 CC_NOESY
692 0.882 1.631 32.690 18.865 26098 CC_NOESY
693 1.999 1.888 27.137 14.257 -50850 CC_NOESY
694 2.008 3.269 22.942 14.162 40820 CC_NOESY
695 1.864 0.920 33.018 13.663 21645 CC_NOESY
696 1.865 1.888 27.096 14.174 -79012 CC_NOESY
697 1.867 3.272 22.987 14.198 58454 CC_NOESY
698 1.837 1.992 13.938 13.978 213835 CC_NOESY
699 3.259 1.996 14.177 23.002 42405 CC_NOESY
700 3.258 1.891 14.115 22.992 41676 CC_NOESY
701 3.243 1.693 27.220 23.030 -65221 CC_NOESY
702 3.260 1.889 27.098 22.986 -58396 CC_NOESY
703 3.253 3.263 22.935 22.978 2877391 CC_NOESY
704 1.866 0.889 18.753 27.230 22544 CC_NOESY
705 1.871 1.704 27.121 27.150 113805 CC_NOESY
706 1.871 3.274 23.010 27.175 -63783 CC_NOESY
707 1.877 1.894 27.169 27.189 204659 CC_NOESY
708 4.405 1.023 22.787 21.555 56443 CC_NOESY
709 4.404 4.414 21.394 21.440 104861 CC_NOESY
710 2.287 1.398 18.235 32.083 16852 CC_NOESY
711 2.286 4.425 21.568 32.261 18058 CC_NOESY
712 2.282 2.293 32.044 32.103 266735 CC_NOESY
713 2.284 1.032 22.593 32.163 88146 CC_NOESY
714 2.283 0.948 19.322 32.141 69353 CC_NOESY
715 1.014 4.234 17.483 22.583 24551 CC_NOESY
716 1.009 1.375 18.378 22.565 136782 CC_NOESY
717 1.014 3.877 20.133 22.595 73632 CC_NOESY
718 1.018 4.001 21.571 22.677 40630 CC_NOESY
719 1.014 4.411 21.476 22.715 29304 CC_NOESY
720 1.014 2.293 32.115 22.610 93845 CC_NOESY
721 0.932 4.412 21.423 19.341 26581 CC_NOESY
722 2.389 2.402 13.509 13.562 2027663 CC_NOESY
723 4.519 1.896 30.751 20.333 43767 CC_NOESY
724 4.527 3.207 22.975 20.453 -41430 CC_NOESY
725 4.525 1.717 27.318 20.382 44701 CC_NOESY
726 4.524 4.534 20.423 20.458 170090 CC_NOESY
727 4.526 1.138 21.708 20.407 120052 CC_NOESY
728 4.638 4.543 20.333 28.133 44621 CC_NOESY
729 4.639 4.647 28.160 28.216 76412 CC_NOESY
730 4.636 1.143 21.718 28.211 185021 CC_NOESY
731 1.134 1.870 30.756 21.805 21071 CC_NOESY
732 1.131 3.186 22.959 21.824 -67619 CC_NOESY
733 1.133 4.540 20.371 21.781 42145 CC_NOESY
734 1.123 4.646 28.120 21.756 41290 CC_NOESY
735 1.130 1.141 21.711 21.753 3271074 CC_NOESY
736 4.580 1.703 28.818 13.733 58128 CC_NOESY
737 2.175 1.421 24.755 32.487 24597 CC_NOESY
738 1.660 2.181 32.422 32.434 53577 CC_NOESY
739 1.709 2.154 32.281 28.827 21239 CC_NOESY
740 1.532 2.159 32.191 24.683 19429 CC_NOESY
741 4.933 1.335 18.825 31.422 -40465 CC_NOESY
742 4.914 1.517 18.452 31.747 -100943 CC_NOESY
743 1.507 0.823 25.662 18.764 46286 CC_NOESY
744 1.509 0.484 18.379 18.799 71223 CC_NOESY
745 1.509 1.522 18.708 18.749 1471269 CC_NOESY
746 1.502 0.981 23.417 18.552 16346 CC_NOESY
747 4.880 4.434 21.709 17.969 100780 CC_NOESY
748 4.857 5.129 13.295 17.518 73551 CC_NOESY
749 2.248 0.747 18.108 15.551 -82208 CC_NOESY
750 0.959 4.884 17.745 23.140 18367 CC_NOESY
751 0.967 0.723 18.015 23.329 144974 CC_NOESY
752 0.698 1.440 22.213 17.975 -50482 CC_NOESY
753 0.697 0.822 14.501 18.048 70957 CC_NOESY
754 0.704 1.514 18.806 18.279 21149 CC_NOESY
755 0.699 2.258 15.522 18.057 -52994 CC_NOESY
756 0.697 0.983 23.290 18.041 138670 CC_NOESY
757 0.698 0.713 18.000 18.040 1361370 CC_NOESY
758 1.534 0.906 19.003 32.850 18643 CC_NOESY
759 1.580 0.802 21.719 33.002 53052 CC_NOESY
760 3.015 0.159 31.308 23.699 21644 CC_NOESY
761 1.309 1.528 28.526 28.491 30010 CC_NOESY
762 5.407 5.423 29.001 29.088 98463 CC_NOESY
763 5.408 1.071 23.953 29.005 -75706 CC_NOESY
764 1.054 0.755 15.993 23.987 90514 CC_NOESY
765 1.057 0.739 22.402 23.994 96440 CC_NOESY
766 1.050 4.157 21.447 24.012 31866 CC_NOESY
767 1.060 0.810 14.531 23.959 30775 CC_NOESY
768 1.055 5.424 29.043 23.990 -55755 CC_NOESY
769 1.521 5.145 13.621 27.963 20583 CC_NOESY
770 3.250 3.265 20.936 20.996 78613 CC_NOESY
771 2.991 1.952 23.392 21.311 20326 CC_NOESY
772 4.239 2.217 30.295 17.193 107735 CC_NOESY
773 4.242 2.439 15.814 17.132 -77727 CC_NOESY
774 2.207 4.257 17.105 30.341 55966 CC_NOESY
775 2.204 2.214 30.327 30.365 564952 CC_NOESY
776 2.202 2.444 15.816 30.368 -327565 CC_NOESY
777 2.440 4.250 17.056 15.842 -44765 CC_NOESY
778 2.436 2.220 30.329 15.852 -354217 CC_NOESY
779 2.435 2.449 15.873 15.910 1792010 CC_NOESY
780 4.505 1.997 13.867 13.337 -69590 CC_NOESY
781 4.502 1.505 24.857 13.337 50576 CC_NOESY
782 4.495 4.511 13.479 13.500 338097 CC_NOESY
783 1.993 1.523 24.901 13.832 -74119 CC_NOESY
784 1.756 1.773 29.117 29.158 2578123 CC_NOESY
785 3.035 1.512 24.918 21.531 -105203 CC_NOESY
786 1.505 2.220 30.474 24.963 19105 CC_NOESY
787 1.524 4.537 13.546 24.997 17039 CC_NOESY
788 4.343 4.357 31.825 31.839 211518 CC_NOESY
789 4.336 0.063 23.326 31.689 -52685 CC_NOESY
790 4.339 3.765 29.529 31.572 41796 CC_NOESY
791 1.124 1.127 20.615 20.491 61504 CC_NOESY
792 1.092 0.790 20.755 20.789 25862 CC_NOESY
793 0.756 0.768 20.847 20.873 3090213 CC_NOESY
794 -0.101 -0.088 24.563 24.601 1360482 CC_NOESY
795 -0.104 0.068 23.404 24.593 106043 CC_NOESY
796 -0.104 0.995 27.186 24.575 38135 CC_NOESY
797 -0.103 0.504 19.122 24.694 18965 CC_NOESY
798 0.049 1.136 25.296 23.380 71341 CC_NOESY
799 0.051 1.038 24.451 23.328 37649 CC_NOESY
800 0.051 4.343 31.641 23.402 -43700 CC_NOESY
801 0.050 -0.094 24.552 23.441 123122 CC_NOESY
802 0.049 0.061 23.376 23.420 2329933 CC_NOESY
803 0.050 1.008 27.161 23.376 55184 CC_NOESY
804 0.052 0.534 19.032 23.399 23779 CC_NOESY
805 0.988 -0.082 24.630 27.174 39432 CC_NOESY
806 0.990 0.065 23.424 27.209 44987 CC_NOESY
807 4.519 2.150 32.107 21.105 50347 CC_NOESY
808 2.107 2.183 27.426 31.989 26541 CC_NOESY
809 2.105 1.914 27.356 32.117 33654 CC_NOESY
810 3.722 3.728 29.527 29.570 40594 CC_NOESY
811 3.249 4.358 31.747 29.602 17717 CC_NOESY
812 3.241 3.734 29.517 29.623 30742 CC_NOESY
813 2.175 1.931 27.471 27.505 47050 CC_NOESY
814 1.911 2.187 27.455 27.523 43673 CC_NOESY
815 1.905 2.126 32.052 27.514 33375 CC_NOESY
816 3.834 3.883 25.608 25.721 90403 CC_NOESY
817 4.240 2.071 28.930 15.494 105909 CC_NOESY
818 4.239 2.395 13.501 15.624 -82519 CC_NOESY
819 2.133 4.255 15.682 28.862 35336 CC_NOESY
820 2.131 2.398 13.511 28.885 -147983 CC_NOESY
821 2.056 2.396 13.515 28.876 -114509 CC_NOESY
822 2.392 2.124 28.839 13.561 -220473 CC_NOESY
823 0.510 -0.100 24.578 19.014 16737 CC_NOESY
824 3.538 0.527 22.295 15.713 52048 CC_NOESY
825 3.539 3.557 15.595 15.664 194874 CC_NOESY
826 3.541 0.548 23.822 15.747 58413 CC_NOESY
827 1.669 1.683 20.301 20.325 112231 CC_NOESY
828 1.671 1.373 20.336 20.329 70019 CC_NOESY
829 1.365 1.684 20.342 20.332 70298 CC_NOESY
830 1.350 1.366 20.304 20.367 109953 CC_NOESY
831 0.857 0.527 22.119 25.219 21010 CC_NOESY
832 0.859 3.790 22.819 25.180 32328 CC_NOESY
833 0.857 3.558 15.674 25.227 51188 CC_NOESY
834 0.857 1.685 20.355 25.163 -68622 CC_NOESY
835 0.857 1.376 20.280 25.173 -57513 CC_NOESY
836 0.857 0.560 23.738 25.178 217017 CC_NOESY
837 0.545 4.362 16.375 23.854 36601 CC_NOESY
838 0.548 3.550 15.606 23.771 49423 CC_NOESY
839 0.547 0.869 25.152 23.782 187719 CC_NOESY
840 0.546 0.558 23.738 23.784 1878899 CC_NOESY
841 0.545 1.523 26.946 23.795 74152 CC_NOESY
842 1.502 3.509 15.772 27.031 16232 CC_NOESY
843 1.515 1.678 20.381 27.021 -50470 CC_NOESY
844 1.521 1.403 20.358 26.937 -40527 CC_NOESY
845 1.520 0.561 23.722 26.985 48876 CC_NOESY
846 5.733 5.742 15.907 15.919 122240 CC_NOESY
847 2.986 2.998 20.189 19.999 297866 CC_NOESY
848 6.863 0.799 21.534 14.892 -62642 CC_NOESY
849 6.864 1.030 25.504 14.893 -68506 CC_NOESY
850 4.996 5.011 17.520 17.558 103372 CC_NOESY
851 4.996 2.206 14.741 17.402 -46592 CC_NOESY
852 4.998 0.952 22.950 17.523 84542 CC_NOESY
853 2.198 0.960 23.026 14.852 -52589 CC_NOESY
854 2.204 0.538 18.171 14.646 -62140 CC_NOESY
855 0.931 2.816 31.489 22.895 19160 CC_NOESY
856 0.942 0.533 18.207 23.004 154932 CC_NOESY
857 0.519 2.216 14.694 18.267 -61213 CC_NOESY
858 0.517 0.960 22.970 18.234 173176 CC_NOESY
859 0.511 0.693 14.082 17.823 60207 CC_NOESY
860 1.939 2.091 16.601 13.337 31788 CC_NOESY
861 1.841 2.088 16.644 13.337 26329 CC_NOESY
862 2.363 2.100 16.546 16.603 97731 CC_NOESY
863 2.080 2.376 16.488 16.551 104104 CC_NOESY
864 0.675 0.975 17.707 14.020 51289 CC_NOESY
865 0.675 2.057 30.706 14.152 18323 CC_NOESY
866 0.676 0.929 26.577 14.170 38631 CC_NOESY
867 0.676 0.692 14.038 14.110 1221366 CC_NOESY
868 0.677 0.853 28.150 14.167 52439 CC_NOESY
869 0.675 1.538 28.201 14.126 56677 CC_NOESY
870 0.673 0.813 18.105 14.202 81005 CC_NOESY
871 0.855 0.700 14.011 28.163 49434 CC_NOESY
872 0.858 1.559 28.272 28.150 30546 CC_NOESY
873 1.534 0.691 14.048 28.196 49076 CC_NOESY
874 1.532 0.867 28.182 28.264 23577 CC_NOESY
875 1.532 0.774 18.091 28.269 32966 CC_NOESY
876 0.768 0.842 14.313 18.109 49188 CC_NOESY
877 0.771 4.980 19.214 18.106 17143 CC_NOESY
878 0.775 1.830 18.287 18.189 -74216 CC_NOESY
879 0.774 0.692 14.128 18.150 94961 CC_NOESY
880 0.776 0.851 28.177 18.185 34694 CC_NOESY
881 2.138 0.919 21.442 13.599 -86627 CC_NOESY
882 2.141 0.815 20.571 13.680 -65180 CC_NOESY
883 0.911 5.179 13.295 21.651 30939 CC_NOESY
884 0.807 1.688 32.471 20.706 18169 CC_NOESY
885 4.462 0.800 23.917 13.337 60580 CC_NOESY
886 1.569 0.874 25.234 21.774 -80539 CC_NOESY
887 1.572 0.809 23.905 21.698 -65252 CC_NOESY
888 0.860 1.574 21.714 25.312 -102948 CC_NOESY
889 0.798 4.453 13.295 23.923 45554 CC_NOESY
890 0.801 0.813 23.914 23.957 5217535 CC_NOESY
891 0.811 1.583 27.559 23.951 100650 CC_NOESY
892 0.797 1.580 21.705 23.970 -71761 CC_NOESY
893 1.584 0.923 21.452 27.654 28515 CC_NOESY
894 1.575 0.800 20.473 27.405 42278 CC_NOESY
895 1.575 1.582 21.734 27.607 -198831 CC_NOESY
896 1.574 0.825 23.880 27.541 118348 CC_NOESY
897 4.284 1.931 31.106 15.201 56035 CC_NOESY
898 4.284 2.172 15.767 15.365 -55600 CC_NOESY
899 1.986 0.942 21.493 30.969 18259 CC_NOESY
900 1.963 4.280 15.303 31.224 28809 CC_NOESY
901 1.958 2.169 15.845 31.123 -182184 CC_NOESY
902 1.849 4.284 15.246 31.143 28977 CC_NOESY
903 1.846 2.154 15.820 31.122 -130286 CC_NOESY
904 1.959 1.949 31.026 31.084 465941 CC_NOESY
905 2.178 1.953 31.078 15.893 -156819 CC_NOESY
#*
#File History: /farm/users/dasnyder/PfR48/AutoStructureRuns/DAS.I.147/4Dnoesy.DAS.I.147.pks
#
#/farm/software/AutoPeak/bin/create_peak_list.pl - CC_NOESY /farm/users/dasnyder/PfR48/AutoStructureRuns/DAS.I.147/4Dnoesy.DAS.I.147.pks
#
# Removed A66/I8 peaks as this constraint is problematic
# same for I3/L38 peaks
# Removing A66/I8 peaks doesn't really help Rama plot, though, so add them back
# iff they are good
# Remove any bad looking peaks associated with G65, A66 or V67 though
;
save_
save_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_2
_Spectral_peak_list.Entry_ID 6173
_Spectral_peak_list.ID 2
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_PfR48.NC.RX.7.85
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $Sample_condition_list_1
_Spectral_peak_list.Experiment_ID .
_Spectral_peak_list.Experiment_name .
_Spectral_peak_list.Number_of_spectral_dimensions .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
#Index 1Dim 2Dim 3Dim Intensity Workbook
1 8.753 36.512 2.443 295799 C13NOESY
2 6.793 44.552 0.946 334978 C13NOESY
3 8.746 46.845 1.128 298280 C13NOESY
4 8.820 33.644 5.176 933489 C13NOESY
5 8.872 38.414 4.670 475714 C13NOESY
6 8.854 41.172 2.024 549675 C13NOESY
7 8.840 35.413 0.864 443924 C13NOESY
8 8.823 48.720 1.438 412308 C13NOESY
9 8.817 48.659 1.079 404463 C13NOESY
10 8.862 39.271 0.967 1162029 C13NOESY
11 8.672 34.217 5.184 1222729 C13NOESY
12 8.874 35.456 1.839 949212 C13NOESY
13 8.872 50.918 1.482 325914 C13NOESY
14 7.275 50.955 1.484 288232 C13NOESY
15 6.870 50.944 1.479 297791 C13NOESY
16 8.869 47.180 1.598 448061 C13NOESY
17 8.870 47.142 1.479 336745 C13NOESY
18 8.687 47.148 1.478 267245 C13NOESY
19 8.680 44.997 3.127 541774 C13NOESY
20 8.180 44.977 3.129 922760 C13NOESY
21 8.178 45.028 5.143 394321 C13NOESY
22 8.877 44.981 3.128 374600 C13NOESY
23 8.183 35.474 1.773 897917 C13NOESY
24 8.683 35.418 1.782 397432 C13NOESY
25 9.212 35.436 1.770 261921 C13NOESY
26 8.183 43.168 0.793 948691 C13NOESY
27 8.684 43.178 0.791 760214 C13NOESY
28 7.275 43.157 0.792 753687 C13NOESY
29 6.873 43.163 0.792 857840 C13NOESY
30 8.671 42.216 3.771 317066 C13NOESY
31 9.082 42.209 3.771 1276052 C13NOESY
32 8.102 53.205 2.289 605056 C13NOESY
33 8.689 53.201 2.287 1103980 C13NOESY
34 7.411 43.872 0.524 480111 C13NOESY
35 8.097 43.879 0.522 254872 C13NOESY
36 7.337 43.657 0.716 371590 C13NOESY
37 8.095 43.707 0.720 395149 C13NOESY
38 8.678 43.717 0.717 1714142 C13NOESY
39 9.077 34.234 4.396 431783 C13NOESY
40 7.416 34.265 4.396 433779 C13NOESY
41 9.086 43.325 1.465 495140 C13NOESY
42 7.420 43.362 1.470 388647 C13NOESY
43 9.233 43.844 0.775 646233 C13NOESY
44 9.221 47.272 0.826 271865 C13NOESY
45 9.081 48.192 1.619 463465 C13NOESY
46 9.220 48.241 1.620 270074 C13NOESY
47 7.415 36.241 4.349 667865 C13NOESY
48 8.464 36.264 4.348 1665915 C13NOESY
49 7.420 42.579 3.811 305818 C13NOESY
50 8.464 42.612 3.815 513473 C13NOESY
51 8.464 42.591 3.687 260907 C13NOESY
52 8.473 40.380 2.883 260756 C13NOESY
53 8.469 40.373 2.721 314598 C13NOESY
54 6.947 40.344 2.881 667415 C13NOESY
55 6.952 40.354 2.715 628258 C13NOESY
56 8.549 33.590 4.440 900222 C13NOESY
57 8.539 53.045 1.812 444503 C13NOESY
58 6.937 34.562 4.562 325104 C13NOESY
59 8.491 34.179 4.577 372553 C13NOESY
60 8.500 52.742 1.843 492185 C13NOESY
61 8.518 49.165 1.564 785023 C13NOESY
62 8.503 43.075 3.866 254885 C13NOESY
63 8.536 36.456 4.176 359828 C13NOESY
64 8.533 35.903 4.219 480093 C13NOESY
65 7.983 35.900 4.217 473936 C13NOESY
66 7.630 39.037 2.896 422323 C13NOESY
67 7.631 38.989 2.740 461124 C13NOESY
68 7.489 33.711 2.191 737429 C13NOESY
69 7.409 38.490 2.728 411344 C13NOESY
70 7.415 38.475 2.781 413081 C13NOESY
71 7.269 38.889 3.138 400673 C13NOESY
72 7.273 38.860 2.534 356721 C13NOESY
73 9.091 39.735 5.096 683479 C13NOESY
74 8.295 33.992 1.958 568610 C13NOESY
75 9.081 43.121 0.920 644254 C13NOESY
76 8.273 43.403 0.779 317824 C13NOESY
77 9.087 43.426 0.778 1049851 C13NOESY
78 9.566 43.446 0.778 389499 C13NOESY
79 8.769 53.077 5.074 381153 C13NOESY
80 7.054 36.682 1.746 301550 C13NOESY
81 9.101 53.859 2.201 331088 C13NOESY
82 7.143 53.824 2.079 363698 C13NOESY
83 7.135 53.825 2.195 320120 C13NOESY
84 7.032 53.816 2.092 375970 C13NOESY
85 7.047 53.863 2.200 332402 C13NOESY
86 7.415 35.938 1.745 338656 C13NOESY
87 8.762 35.930 1.753 442816 C13NOESY
88 8.775 53.717 0.125 284557 C13NOESY
89 9.063 53.690 0.129 542000 C13NOESY
90 7.680 53.747 0.128 372392 C13NOESY
91 9.062 39.996 0.486 1153990 C13NOESY
92 8.745 39.811 0.520 1784444 C13NOESY
93 9.063 42.793 1.426 656142 C13NOESY
94 9.070 37.501 0.749 458537 C13NOESY
95 7.050 37.451 0.748 517338 C13NOESY
96 9.065 49.803 1.319 431900 C13NOESY
97 8.182 39.105 0.509 645474 C13NOESY
98 9.069 39.110 0.510 461610 C13NOESY
99 9.217 39.110 0.510 953199 C13NOESY
100 9.220 35.005 1.694 298741 C13NOESY
101 8.822 35.966 4.099 1990050 C13NOESY
102 8.866 40.720 1.787 564004 C13NOESY
103 8.868 40.753 1.607 574398 C13NOESY
104 8.871 47.029 1.020 686710 C13NOESY
105 6.869 47.034 1.019 837202 C13NOESY
106 8.849 44.838 1.007 745341 C13NOESY
107 8.877 49.768 1.700 974331 C13NOESY
108 8.817 33.846 4.474 1203418 C13NOESY
109 7.012 33.843 4.472 384819 C13NOESY
110 8.818 40.510 2.695 425920 C13NOESY
111 8.792 40.513 2.970 630528 C13NOESY
112 7.018 40.906 4.166 537721 C13NOESY
113 8.808 40.922 4.164 2106008 C13NOESY
114 7.325 40.870 4.165 306343 C13NOESY
115 7.018 32.625 1.956 546141 C13NOESY
116 7.015 43.496 0.979 372880 C13NOESY
117 7.340 43.485 0.978 879417 C13NOESY
118 8.138 43.473 0.978 821470 C13NOESY
119 8.000 43.564 0.979 265070 C13NOESY
120 7.640 43.596 0.977 486866 C13NOESY
121 8.816 42.585 0.868 497831 C13NOESY
122 7.016 42.610 0.867 997158 C13NOESY
123 8.816 53.278 5.418 553251 C13NOESY
124 7.337 53.241 5.417 533274 C13NOESY
125 8.807 41.231 3.106 390966 C13NOESY
126 8.810 41.212 2.619 492171 C13NOESY
127 7.882 41.233 3.110 543242 C13NOESY
128 7.885 41.197 2.618 722558 C13NOESY
129 7.280 41.229 2.618 453050 C13NOESY
130 8.685 45.583 4.355 466260 C13NOESY
131 8.685 45.559 3.944 349988 C13NOESY
132 9.157 45.594 4.354 315421 C13NOESY
133 8.690 37.365 4.227 562973 C13NOESY
134 8.688 52.326 1.927 563574 C13NOESY
135 8.669 48.794 1.698 543186 C13NOESY
136 9.164 39.034 4.013 699024 C13NOESY
137 7.636 39.050 4.011 293750 C13NOESY
138 8.284 38.998 4.011 317903 C13NOESY
139 9.163 50.535 2.144 697848 C13NOESY
140 9.164 50.542 1.955 491287 C13NOESY
141 7.633 50.551 2.146 479026 C13NOESY
142 7.636 50.547 1.952 402704 C13NOESY
143 9.163 37.080 2.280 304633 C13NOESY
144 7.636 37.052 4.095 835710 C13NOESY
145 8.136 37.046 4.094 390356 C13NOESY
146 7.135 37.007 4.100 256166 C13NOESY
147 7.335 52.520 1.997 280033 C13NOESY
148 7.635 52.473 2.167 457060 C13NOESY
149 7.634 52.499 1.999 605438 C13NOESY
150 8.135 52.504 2.162 318193 C13NOESY
151 8.136 52.469 2.002 348685 C13NOESY
152 7.634 36.794 2.411 667783 C13NOESY
153 7.635 36.810 2.290 740385 C13NOESY
154 8.137 33.734 3.830 684470 C13NOESY
155 8.277 33.703 3.832 272384 C13NOESY
156 7.886 33.750 3.830 263354 C13NOESY
157 8.137 39.963 1.367 2472301 C13NOESY
158 8.283 39.956 1.368 1094024 C13NOESY
159 7.998 39.998 1.371 278940 C13NOESY
160 7.643 39.949 1.365 326266 C13NOESY
161 8.283 40.000 3.875 865161 C13NOESY
162 7.138 39.980 3.875 345588 C13NOESY
163 6.969 39.940 3.874 268624 C13NOESY
164 8.283 41.493 4.004 1675946 C13NOESY
165 7.134 41.491 4.002 415829 C13NOESY
166 7.136 35.973 4.211 1327350 C13NOESY
167 6.967 35.960 4.210 311801 C13NOESY
168 7.134 53.757 2.015 604822 C13NOESY
169 7.136 32.419 2.017 341168 C13NOESY
170 7.135 53.765 1.860 782781 C13NOESY
171 7.135 32.419 1.861 422759 C13NOESY
172 7.135 50.874 1.720 473790 C13NOESY
173 7.135 47.092 1.500 671458 C13NOESY
174 7.136 47.097 1.623 752336 C13NOESY
175 7.895 53.934 4.143 320360 C13NOESY
176 7.889 32.602 4.140 584461 C13NOESY
177 6.972 32.541 4.137 305674 C13NOESY
178 7.883 42.167 1.578 452605 C13NOESY
179 7.883 42.160 2.013 621065 C13NOESY
180 7.888 48.294 0.911 421279 C13NOESY
181 7.891 44.594 0.736 599291 C13NOESY
182 7.883 48.761 1.770 678136 C13NOESY
183 6.970 42.371 3.252 660718 C13NOESY
184 8.881 42.364 3.251 1993618 C13NOESY
185 7.942 42.350 3.250 388748 C13NOESY
186 6.970 36.350 1.872 1892831 C13NOESY
187 6.968 33.993 0.897 867707 C13NOESY
188 7.632 33.950 0.900 310198 C13NOESY
189 8.655 34.004 0.897 1031582 C13NOESY
190 6.970 50.341 1.103 792352 C13NOESY
191 6.969 50.359 1.613 1245452 C13NOESY
192 6.973 39.299 0.891 804085 C13NOESY
193 7.929 39.314 0.891 252061 C13NOESY
194 8.884 44.772 4.525 567078 C13NOESY
195 8.880 44.771 3.612 955776 C13NOESY
196 7.950 44.767 3.612 297945 C13NOESY
197 7.956 34.768 4.483 338483 C13NOESY
198 8.403 34.716 4.481 1021711 C13NOESY
199 7.950 52.221 2.120 255804 C13NOESY
200 7.948 52.269 1.887 352590 C13NOESY
201 8.405 52.268 2.118 319848 C13NOESY
202 7.951 49.828 1.650 357856 C13NOESY
203 7.951 49.874 1.726 363432 C13NOESY
204 8.397 44.106 1.678 721330 C13NOESY
205 8.400 44.121 1.601 602180 C13NOESY
206 8.195 46.581 0.891 273335 C13NOESY
207 8.400 48.967 1.610 554913 C13NOESY
208 8.205 48.991 1.611 367379 C13NOESY
209 9.334 37.864 5.047 439374 C13NOESY
210 8.202 34.392 1.398 630585 C13NOESY
211 9.341 34.368 1.398 266269 C13NOESY
212 9.229 34.437 1.396 371767 C13NOESY
213 6.798 34.426 1.395 356708 C13NOESY
214 8.200 43.728 0.778 413986 C13NOESY
215 9.327 43.751 0.778 819761 C13NOESY
216 6.797 43.744 0.779 1105193 C13NOESY
217 8.203 44.090 0.712 697849 C13NOESY
218 9.336 44.096 0.713 506791 C13NOESY
219 6.796 44.069 0.711 382188 C13NOESY
220 7.043 44.120 0.708 288342 C13NOESY
221 9.260 53.623 5.369 2273052 C13NOESY
222 9.326 44.328 1.857 382553 C13NOESY
223 9.293 44.348 1.332 369989 C13NOESY
224 9.330 48.873 1.580 655045 C13NOESY
225 9.256 45.426 0.859 769178 C13NOESY
226 8.065 35.571 5.027 512965 C13NOESY
227 9.261 53.049 2.800 352502 C13NOESY
228 9.265 53.053 3.183 458417 C13NOESY
229 7.279 53.027 2.802 270606 C13NOESY
230 7.228 53.013 2.791 327993 C13NOESY
231 7.231 53.052 3.187 458817 C13NOESY
232 8.061 33.524 4.310 417556 C13NOESY
233 8.219 33.543 4.310 2039782 C13NOESY
234 9.566 33.553 4.306 371837 C13NOESY
235 8.066 32.672 1.515 791032 C13NOESY
236 8.064 32.695 1.311 571674 C13NOESY
237 8.219 46.032 1.193 337447 C13NOESY
238 8.202 46.312 1.010 835309 C13NOESY
239 8.036 46.238 1.212 371070 C13NOESY
240 6.994 34.980 3.241 401546 C13NOESY
241 7.355 34.928 3.240 257022 C13NOESY
242 8.219 34.980 3.240 473975 C13NOESY
243 7.001 41.965 4.108 320741 C13NOESY
244 6.822 41.986 4.109 363771 C13NOESY
245 8.222 41.984 4.106 528828 C13NOESY
246 8.219 41.986 3.493 815124 C13NOESY
247 8.202 43.777 4.285 268726 C13NOESY
248 6.998 51.043 3.860 565802 C13NOESY
249 7.350 51.076 3.860 396458 C13NOESY
250 6.993 49.044 2.175 290120 C13NOESY
251 8.208 36.925 4.414 350703 C13NOESY
252 8.206 45.047 3.313 1487608 C13NOESY
253 8.204 45.045 4.360 1189270 C13NOESY
254 7.260 45.045 3.314 389449 C13NOESY
255 7.258 45.066 4.354 395205 C13NOESY
256 7.254 34.347 4.244 869435 C13NOESY
257 8.716 34.348 4.244 3966310 C13NOESY
258 7.256 32.904 1.668 774255 C13NOESY
259 7.257 32.906 1.602 835769 C13NOESY
260 8.719 32.937 1.666 429576 C13NOESY
261 8.716 32.874 1.602 349954 C13NOESY
262 7.254 46.568 1.413 367453 C13NOESY
263 7.256 46.572 1.316 281183 C13NOESY
264 8.715 46.550 1.420 301646 C13NOESY
265 9.562 38.632 4.666 407732 C13NOESY
266 8.716 38.245 1.871 1486968 C13NOESY
267 8.219 33.718 0.804 280200 C13NOESY
268 8.713 49.358 1.085 561944 C13NOESY
269 8.716 49.379 1.604 910054 C13NOESY
270 9.258 40.455 0.836 797410 C13NOESY
271 8.719 40.430 0.837 711142 C13NOESY
272 9.562 40.459 0.837 1182456 C13NOESY
273 7.227 44.099 2.186 486291 C13NOESY
274 9.564 44.096 2.183 424533 C13NOESY
275 9.558 44.120 1.957 346831 C13NOESY
276 8.754 44.060 1.960 346755 C13NOESY
277 7.231 46.867 1.128 1180967 C13NOESY
278 7.018 46.859 1.133 332102 C13NOESY
279 6.824 46.868 1.129 1021698 C13NOESY
280 9.560 46.867 1.130 348073 C13NOESY
281 7.221 45.957 1.042 490480 C13NOESY
282 8.743 50.426 1.954 273180 C13NOESY
283 9.562 50.453 1.956 439824 C13NOESY
284 8.762 33.864 5.462 395846 C13NOESY
285 9.228 33.851 5.465 2325802 C13NOESY
286 8.738 35.393 1.829 761287 C13NOESY
287 8.752 35.375 1.726 527462 C13NOESY
288 9.227 35.353 1.826 254037 C13NOESY
289 9.224 35.328 1.724 300049 C13NOESY
290 8.756 51.382 1.710 281730 C13NOESY
291 8.726 46.677 1.324 306033 C13NOESY
292 8.746 46.839 1.337 334093 C13NOESY
293 8.757 46.876 1.521 356665 C13NOESY
294 9.224 43.881 4.344 524188 C13NOESY
295 9.234 43.896 1.949 407824 C13NOESY
296 8.022 43.876 4.343 902693 C13NOESY
297 8.025 43.872 1.947 599804 C13NOESY
298 7.156 44.021 1.956 496484 C13NOESY
299 8.023 33.031 5.145 350917 C13NOESY
300 8.704 33.034 5.148 1153233 C13NOESY
301 8.022 36.626 1.559 1261191 C13NOESY
302 8.705 36.634 1.559 682975 C13NOESY
303 8.705 46.247 1.217 726437 C13NOESY
304 8.713 41.269 4.147 655951 C13NOESY
305 8.940 41.289 4.149 1583504 C13NOESY
306 7.647 41.282 4.149 308497 C13NOESY
307 7.950 36.206 2.174 503036 C13NOESY
308 8.705 36.196 2.175 724379 C13NOESY
309 8.886 36.215 2.172 466052 C13NOESY
310 8.907 36.045 0.788 258715 C13NOESY
311 7.944 36.069 0.786 407898 C13NOESY
312 8.705 36.083 0.787 483846 C13NOESY
313 8.712 50.592 1.654 729851 C13NOESY
314 7.944 39.720 0.772 516120 C13NOESY
315 8.704 39.736 0.770 554430 C13NOESY
316 7.639 39.749 0.770 732481 C13NOESY
317 9.053 39.701 0.775 1109604 C13NOESY
318 8.911 39.749 0.770 1182501 C13NOESY
319 8.944 34.093 2.299 314207 C13NOESY
320 7.643 34.082 2.297 258908 C13NOESY
321 8.936 43.707 0.977 852381 C13NOESY
322 8.702 43.731 0.976 823587 C13NOESY
323 8.941 40.358 0.883 2045996 C13NOESY
324 7.641 40.352 0.882 1216698 C13NOESY
325 8.698 40.377 0.881 690784 C13NOESY
326 8.652 33.938 4.666 493657 C13NOESY
327 7.635 34.799 1.873 253057 C13NOESY
328 8.655 34.847 1.997 338452 C13NOESY
329 8.652 41.456 4.408 365362 C13NOESY
330 8.406 41.427 4.408 1255434 C13NOESY
331 9.057 41.451 4.409 377694 C13NOESY
332 8.409 53.738 2.285 752912 C13NOESY
333 8.412 32.419 2.283 367787 C13NOESY
334 8.284 44.126 1.022 710942 C13NOESY
335 8.656 44.124 1.021 1424151 C13NOESY
336 8.408 44.140 1.022 519036 C13NOESY
337 8.655 40.904 0.941 2159997 C13NOESY
338 8.410 40.885 0.941 367124 C13NOESY
339 8.405 33.988 2.723 325696 C13NOESY
340 8.415 33.967 2.405 267485 C13NOESY
341 9.125 32.419 2.185 303653 C13NOESY
342 9.127 53.934 1.658 387169 C13NOESY
343 9.127 32.462 1.661 441650 C13NOESY
344 9.141 46.405 1.535 267100 C13NOESY
345 9.144 46.352 1.392 254503 C13NOESY
346 7.990 44.883 4.507 359840 C13NOESY
347 8.002 44.952 3.137 569621 C13NOESY
348 7.677 40.340 1.523 1536084 C13NOESY
349 8.962 40.330 1.523 1384535 C13NOESY
350 9.054 36.175 2.260 879984 C13NOESY
351 8.972 44.882 0.971 501463 C13NOESY
352 9.051 44.838 0.970 628476 C13NOESY
353 8.398 44.605 0.949 615174 C13NOESY
354 8.963 39.552 0.698 1420402 C13NOESY
355 9.566 32.983 5.179 1067506 C13NOESY
356 9.067 33.007 5.179 442504 C13NOESY
357 9.062 32.532 1.634 306447 C13NOESY
358 8.939 49.819 5.407 839958 C13NOESY
359 9.563 49.836 5.411 308586 C13NOESY
360 8.703 49.825 5.409 1796234 C13NOESY
361 9.083 45.578 1.057 316047 C13NOESY
362 8.020 45.569 1.056 296399 C13NOESY
363 8.944 45.576 1.056 327495 C13NOESY
364 8.705 45.563 1.056 996278 C13NOESY
365 6.818 45.896 1.045 360041 C13NOESY
366 7.050 45.566 1.055 949504 C13NOESY
367 9.565 45.603 1.054 1035772 C13NOESY
368 9.439 33.328 5.168 869841 C13NOESY
369 8.704 33.552 1.745 502371 C13NOESY
370 8.701 33.507 1.677 457316 C13NOESY
371 9.445 41.752 3.272 306151 C13NOESY
372 9.448 41.793 2.970 330077 C13NOESY
373 7.143 41.792 3.271 941898 C13NOESY
374 7.145 41.791 2.970 741637 C13NOESY
375 8.972 37.036 4.244 284180 C13NOESY
376 8.130 37.107 4.237 743855 C13NOESY
377 8.972 51.897 2.209 346563 C13NOESY
378 8.129 51.925 2.209 439902 C13NOESY
379 8.977 36.491 2.443 388375 C13NOESY
380 8.132 36.520 2.438 344629 C13NOESY
381 8.138 33.198 4.518 1441518 C13NOESY
382 8.137 34.524 1.997 654728 C13NOESY
383 8.132 34.534 1.832 769232 C13NOESY
384 8.132 46.480 1.512 441677 C13NOESY
385 8.144 45.323 3.733 941998 C13NOESY
386 7.923 45.321 3.734 955913 C13NOESY
387 7.923 52.386 4.338 370339 C13NOESY
388 7.928 41.441 1.094 333083 C13NOESY
389 7.142 46.116 -0.109 310897 C13NOESY
390 6.819 44.977 0.052 273547 C13NOESY
391 7.169 44.952 0.053 482897 C13NOESY
392 7.918 48.771 0.969 318715 C13NOESY
393 8.357 40.885 4.525 253741 C13NOESY
394 8.233 46.430 3.920 272589 C13NOESY
395 7.901 35.501 4.245 1323061 C13NOESY
396 8.234 35.486 4.245 486247 C13NOESY
397 8.223 50.432 2.132 301417 C13NOESY
398 8.229 50.460 2.063 257809 C13NOESY
399 8.236 34.258 2.396 338401 C13NOESY
400 7.609 34.247 2.400 637714 C13NOESY
401 6.942 34.249 2.397 321873 C13NOESY
402 7.353 34.227 2.400 345458 C13NOESY
403 7.905 52.572 4.219 415149 C13NOESY
404 7.350 52.557 4.219 803257 C13NOESY
405 7.900 40.701 0.494 627603 C13NOESY
406 7.345 40.683 0.493 538299 C13NOESY
407 8.722 35.465 3.548 1463223 C13NOESY
408 8.104 35.471 3.546 295211 C13NOESY
409 7.344 41.007 1.674 911446 C13NOESY
410 7.345 41.012 1.368 649348 C13NOESY
411 6.577 46.687 0.867 343799 C13NOESY
412 7.363 46.684 0.869 508189 C13NOESY
413 8.731 46.704 0.869 396697 C13NOESY
414 6.946 45.327 0.552 266998 C13NOESY
415 7.347 45.350 0.557 333440 C13NOESY
416 8.714 45.327 0.553 257755 C13NOESY
417 7.344 48.516 1.522 978510 C13NOESY
418 8.719 45.533 3.478 636643 C13NOESY
419 8.717 45.542 4.177 717454 C13NOESY
420 8.094 45.536 4.180 336272 C13NOESY
421 8.646 53.484 4.712 296185 C13NOESY
422 8.099 42.281 2.978 1012147 C13NOESY
423 8.646 42.308 2.976 633384 C13NOESY
424 7.275 35.744 5.728 649876 C13NOESY
425 8.755 35.746 5.730 2148530 C13NOESY
426 8.648 40.574 3.141 634495 C13NOESY
427 8.650 40.603 2.980 880455 C13NOESY
428 7.281 40.586 3.142 564379 C13NOESY
429 7.272 40.590 2.979 619358 C13NOESY
430 8.748 40.594 3.145 488728 C13NOESY
431 8.388 37.282 5.007 334279 C13NOESY
432 8.391 35.333 2.203 968691 C13NOESY
433 7.330 44.519 0.946 1513753 C13NOESY
434 8.068 44.575 0.948 292633 C13NOESY
435 8.743 44.505 0.946 534090 C13NOESY
436 8.388 39.792 0.521 439357 C13NOESY
437 9.362 33.556 5.143 859390 C13NOESY
438 8.394 33.512 1.952 367740 C13NOESY
439 8.381 33.519 1.843 268499 C13NOESY
440 9.354 33.522 1.951 298573 C13NOESY
441 9.351 33.517 1.843 316668 C13NOESY
442 8.394 37.252 2.373 323956 C13NOESY
443 9.354 39.121 1.811 509693 C13NOESY
444 8.858 35.576 0.679 320808 C13NOESY
445 9.356 35.593 0.682 430719 C13NOESY
446 9.350 49.675 1.539 388339 C13NOESY
447 9.354 39.608 0.776 408020 C13NOESY
448 8.512 40.719 4.377 1239249 C13NOESY
449 9.040 33.997 2.133 462989 C13NOESY
450 8.511 43.024 0.921 941784 C13NOESY
451 8.402 42.138 0.822 319124 C13NOESY
452 9.048 42.137 0.821 942446 C13NOESY
453 8.513 42.125 0.819 421543 C13NOESY
454 8.500 33.181 4.487 773201 C13NOESY
455 8.511 42.463 1.566 850421 C13NOESY
456 8.498 46.794 0.869 476339 C13NOESY
457 8.503 45.574 0.793 416342 C13NOESY
458 8.508 35.048 4.270 348789 C13NOESY
459 8.497 52.701 1.957 442172 C13NOESY
#*
#File History: /farm/users/dasnyder/PfR48/AutoStructureRuns/DAS.I.147/c13H2Onoesy.DAS.I.147.pks
#
#/farm/software/AutoPeak/bin/create_peak_list.pl - C13NOESY /farm/users/dasnyder/PfR48/AutoStructureRuns/DAS.I.147/c13H2Onoesy.DAS.I.147.pks
#
# I cannot figure out any peaks to add from comparing QL files
#
# joint between 148 and 148.1 lists
;
save_
save_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_3
_Spectral_peak_list.Entry_ID 6173
_Spectral_peak_list.ID 3
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_PfR48.NC.RX.7.85
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $Sample_condition_list_1
_Spectral_peak_list.Experiment_ID .
_Spectral_peak_list.Experiment_name .
_Spectral_peak_list.Number_of_spectral_dimensions .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
#Index 1Dim 2Dim 3Dim Intensity Workbook
1 3.915 63.560 3.810 2514782 C13NOESY
2 2.948 33.799 2.090 1960088 C13NOESY
3 4.096 42.229 2.953 1879012 C13NOESY
4 4.666 22.489 1.023 1800809 C13NOESY
5 3.945 34.906 2.095 1793650 C13NOESY
6 2.075 23.948 0.793 1765638 C13NOESY
7 4.824 24.631 0.865 1701023 C13NOESY
8 4.153 25.727 0.822 1658327 C13NOESY
9 2.995 22.065 0.767 1576955 C13NOESY
10 2.722 54.620 4.904 1537986 C13NOESY
11 2.015 13.972 0.781 1533047 C13NOESY
12 5.360 25.806 0.865 1514569 C13NOESY
13 4.839 63.737 3.889 1475914 C13NOESY
14 3.188 22.557 1.025 1448312 C13NOESY
15 8.888 17.726 0.978 1425343 C13NOESY
16 3.020 41.205 2.911 1422988 C13NOESY
17 2.064 25.217 0.864 1409444 C13NOESY
18 2.727 54.623 4.806 1339655 C13NOESY
19 1.315 44.555 3.092 1314712 C13NOESY
20 1.720 37.325 2.366 1311077 C13NOESY
21 2.535 25.304 0.863 1264490 C13NOESY
22 8.737 24.300 1.047 1260786 C13NOESY
23 0.802 27.719 1.731 1198680 C13NOESY
24 2.136 24.632 1.266 1174457 C13NOESY
25 5.170 18.403 0.493 1136319 C13NOESY
26 2.281 57.566 4.891 1118058 C13NOESY
27 0.815 27.560 1.733 1108392 C13NOESY
28 4.863 63.988 3.814 1102332 C13NOESY
29 1.974 54.245 4.748 1095479 C13NOESY
30 1.856 33.797 2.240 1089768 C13NOESY
31 2.281 27.284 1.731 1082879 C13NOESY
32 2.127 34.377 2.323 1080401 C13NOESY
33 5.010 57.876 4.906 1071954 C13NOESY
34 1.643 44.392 2.966 1063040 C13NOESY
35 4.158 22.373 0.768 1058225 C13NOESY
36 7.002 56.155 4.575 1054510 C13NOESY
37 0.862 56.289 4.539 1051659 C13NOESY
38 2.119 43.259 3.311 1051252 C13NOESY
39 5.037 25.822 0.862 1048129 C13NOESY
40 5.014 27.318 1.578 1046510 C13NOESY
41 2.710 54.163 4.902 1046162 C13NOESY
42 2.986 31.027 2.802 1042783 C13NOESY
43 0.843 43.328 3.286 1026301 C13NOESY
44 5.068 32.292 2.110 1026253 C13NOESY
45 8.133 45.260 3.767 1008906 C13NOESY
46 2.714 54.132 4.804 1008738 C13NOESY
47 5.017 57.108 4.174 1006504 C13NOESY
48 1.462 41.576 1.965 996305 C13NOESY
49 0.827 23.864 1.011 984402 C13NOESY
50 9.368 39.301 1.834 980815 C13NOESY
51 2.071 56.991 4.894 977126 C13NOESY
52 2.066 57.535 4.891 974223 C13NOESY
53 3.243 40.513 3.014 969661 C13NOESY
54 0.958 58.884 4.774 963390 C13NOESY
55 1.915 43.320 3.071 963139 C13NOESY
56 5.409 53.215 4.791 2454352 C13NOESY
57 0.642 32.265 2.196 2127996 C13NOESY
58 3.085 43.364 1.500 1910226 C13NOESY
59 2.594 40.142 2.699 1905476 C13NOESY
60 2.944 55.356 3.805 1856969 C13NOESY
61 1.039 42.160 3.059 1734932 C13NOESY
62 0.641 59.391 4.891 1203481 C13NOESY
63 3.291 56.360 4.478 1196520 C13NOESY
64 1.273 34.998 2.141 1188806 C13NOESY
65 1.217 44.627 3.603 1182559 C13NOESY
66 3.503 56.623 3.267 987356 C13NOESY
67 3.996 60.602 4.927 971916 C13NOESY
68 4.542 56.244 4.549 377664384 C13NOESY
69 3.056 30.611 3.098 125346912 C13NOESY
70 0.902 12.484 0.828 70951896 C13NOESY
71 0.896 12.490 0.932 47130932 C13NOESY
72 3.641 43.720 3.199 10420423 C13NOESY
73 3.089 44.470 3.000 8815146 C13NOESY
74 4.265 56.671 4.904 7742086 C13NOESY
75 1.215 24.640 1.563 6648018 C13NOESY
76 3.083 43.257 3.300 6344636 C13NOESY
77 3.295 43.246 3.083 5856538 C13NOESY
78 2.914 41.751 2.053 4220810 C13NOESY
79 2.916 63.364 3.786 3901030 C13NOESY
80 3.870 53.009 3.946 3632491 C13NOESY
81 3.111 27.625 1.735 3336590 C13NOESY
82 1.555 22.590 0.717 3172849 C13NOESY
83 0.505 17.872 0.697 2995930 C13NOESY
84 1.262 24.604 1.478 2975294 C13NOESY
85 2.054 34.879 2.095 46649968 C13NOESY
86 0.866 13.956 0.788 39286720 C13NOESY
87 2.980 56.255 4.547 27837966 C13NOESY
88 3.792 46.924 3.883 24066224 C13NOESY
89 0.677 14.057 0.767 19365214 C13NOESY
90 4.140 57.428 4.146 15795844 C13NOESY
91 2.239 33.765 2.245 14869084 C13NOESY
92 0.733 23.020 0.951 14758128 C13NOESY
93 2.731 55.048 3.798 11129329 C13NOESY
94 2.071 38.677 2.498 11008298 C13NOESY
95 1.019 25.480 1.089 8667990 C13NOESY
96 3.551 43.721 3.105 8153820 C13NOESY
97 1.857 25.772 0.860 7722625 C13NOESY
98 1.306 24.984 1.662 6737292 C13NOESY
99 1.402 24.999 1.664 6216917 C13NOESY
100 3.051 63.783 3.921 6058102 C13NOESY
101 2.860 41.575 1.996 5891088 C13NOESY
102 2.904 41.484 2.998 4972882 C13NOESY
103 2.194 22.212 0.790 4923144 C13NOESY
104 4.396 30.706 3.168 4685396 C13NOESY
105 4.398 30.720 3.043 4194452 C13NOESY
106 2.699 39.639 1.838 4050081 C13NOESY
107 1.080 12.435 0.825 3862298 C13NOESY
108 0.864 25.130 1.295 3829661 C13NOESY
109 4.848 56.267 4.549 3523679 C13NOESY
110 3.148 65.088 4.015 2941742 C13NOESY
111 0.781 35.388 2.206 2903004 C13NOESY
112 0.767 45.462 4.164 2748123 C13NOESY
113 4.395 57.499 3.545 2702499 C13NOESY
114 0.769 58.859 5.002 1700499 C13NOESY
115 8.740 38.217 1.892 1415299 C13NOESY
116 8.713 36.377 2.189 1363785 C13NOESY
117 0.867 33.617 1.838 1274634 C13NOESY
118 0.817 55.977 4.255 1270299 C13NOESY
119 5.033 32.551 1.746 1174204 C13NOESY
120 8.755 57.146 3.559 1089222 C13NOESY
121 5.124 28.154 1.705 1068225 C13NOESY
122 4.553 59.088 4.220 1019204 C13NOESY
123 8.561 42.527 1.567 994199 C13NOESY
124 8.676 31.606 2.272 987001 C13NOESY
125 0.518 32.225 2.194 1581744 C13NOESY
126 6.866 23.216 1.009 3663523 C13NOESY
127 1.593 44.705 3.615 1459816 C13NOESY
128 5.462 24.798 1.006 1287798 C13NOESY
129 4.848 61.724 4.532 1188868 C13NOESY
130 2.154 61.528 4.535 1192668 C13NOESY
131 4.840 69.344 4.651 1163060 C13NOESY
132 1.532 37.271 2.358 1004896 C13NOESY
133 2.139 25.001 0.885 2313249 C13NOESY
134 0.816 24.199 0.806 85612016 C13NOESY
135 8.811 55.206 5.165 1348967 C13NOESY
136 4.415 55.214 5.164 2003580 C13NOESY
137 0.909 54.980 5.168 3539362 C13NOESY
138 1.717 55.088 5.167 6196454 C13NOESY
139 5.159 55.045 5.162 30986486 C13NOESY
140 5.152 32.770 1.721 1438798 C13NOESY
141 1.726 32.659 1.744 11552766 C13NOESY
142 1.535 32.666 1.735 3951679 C13NOESY
143 2.166 43.514 3.154 1238470 C13NOESY
144 0.880 43.620 3.117 2399910 C13NOESY
145 0.832 43.645 3.113 2744076 C13NOESY
146 1.493 43.421 3.122 10621822 C13NOESY
147 5.168 27.703 1.534 1955746 C13NOESY
148 3.103 27.209 1.498 5392685 C13NOESY
149 1.496 27.164 1.503 62772472 C13NOESY
150 1.728 27.670 1.536 17596704 C13NOESY
151 2.009 59.963 4.671 3528688 C13NOESY
152 1.475 60.042 4.664 1602936 C13NOESY
153 0.971 60.013 4.668 4905895 C13NOESY
154 8.871 60.009 4.666 2558316 C13NOESY
155 4.661 60.048 4.666 39334584 C13NOESY
156 1.079 60.123 4.663 3549615 C13NOESY
157 4.670 41.314 2.022 2178504 C13NOESY
158 4.666 41.456 2.001 1536926 C13NOESY
159 2.011 41.316 2.012 7584041 C13NOESY
160 1.443 41.351 2.014 1605974 C13NOESY
161 1.067 41.349 2.025 1112630 C13NOESY
162 0.964 41.314 2.019 3828007 C13NOESY
163 0.864 41.323 2.011 2999618 C13NOESY
164 2.025 13.913 0.871 2548520 C13NOESY
165 0.868 13.955 0.853 53192848 C13NOESY
166 1.443 13.929 0.864 4051372 C13NOESY
167 1.078 13.947 0.866 4632688 C13NOESY
168 0.955 13.936 0.858 5032172 C13NOESY
169 1.811 13.896 0.864 1253236 C13NOESY
170 0.685 14.013 0.867 4131019 C13NOESY
171 1.989 27.218 1.455 1858765 C13NOESY
172 2.029 27.061 1.078 1327501 C13NOESY
173 0.867 27.152 1.451 7157442 C13NOESY
174 0.865 27.175 1.089 4430287 C13NOESY
175 1.448 27.180 1.090 7971209 C13NOESY
176 1.080 27.166 1.450 8542416 C13NOESY
177 1.102 27.169 1.084 3608227 C13NOESY
178 0.971 27.141 1.451 2742802 C13NOESY
179 0.970 27.143 1.092 2369114 C13NOESY
180 1.810 27.071 1.082 1450480 C13NOESY
181 0.679 27.081 1.450 1138856 C13NOESY
182 1.449 27.079 1.470 9335337 C13NOESY
183 4.665 17.680 0.972 6219322 C13NOESY
184 1.452 17.692 0.975 3727751 C13NOESY
185 0.970 17.694 0.974 215175792 C13NOESY
186 8.869 17.632 0.969 1162378 C13NOESY
187 5.171 17.685 0.964 1156676 C13NOESY
188 1.844 17.685 0.978 2801428 C13NOESY
189 0.677 17.732 0.974 2732488 C13NOESY
190 1.539 17.694 0.967 1769600 C13NOESY
191 2.008 17.691 0.972 9144751 C13NOESY
# 192 0.760 18.018 0.967 2678461 bad contact / bad in spectrum
193 1.004 55.895 5.166 964692 C13NOESY
194 5.176 55.795 5.180 24265320 C13NOESY
195 1.601 55.824 5.177 1701401 C13NOESY
196 1.473 55.799 5.176 3406901 C13NOESY
197 8.673 55.840 5.181 2144648 C13NOESY
198 9.355 55.775 5.177 679761 C13NOESY
199 1.849 55.793 5.176 5826367 C13NOESY
200 8.884 35.479 1.877 1215049 C13NOESY
201 5.172 35.455 1.868 3530302 C13NOESY
202 1.841 35.452 1.875 20604176 C13NOESY
203 1.015 35.454 1.845 4312158 C13NOESY
204 1.598 35.466 1.860 4045030 C13NOESY
205 1.481 35.452 1.874 5680698 C13NOESY
206 1.489 35.416 1.838 6725786 C13NOESY
207 1.843 35.402 1.834 26204402 C13NOESY
208 5.166 29.295 1.481 2351287 C13NOESY
209 1.858 29.259 1.484 5752486 C13NOESY
210 1.596 29.252 1.482 11296200 C13NOESY
211 2.695 29.255 1.484 8004833 C13NOESY
212 1.479 29.252 1.485 168702128 C13NOESY
213 1.019 29.257 1.487 3501928 C13NOESY
214 1.853 41.632 2.703 2491542 C13NOESY
215 1.597 41.671 2.700 4215682 C13NOESY
216 2.699 41.652 2.704 285847776 C13NOESY
217 1.017 41.668 2.700 2542931 C13NOESY
218 7.253 41.618 2.700 1193948 C13NOESY
219 5.164 41.631 2.702 1306492 C13NOESY
220 1.480 41.647 2.703 13215569 C13NOESY
221 2.700 25.594 1.607 2891674 C13NOESY
222 2.699 25.571 1.484 1950110 C13NOESY
223 1.856 25.512 1.491 6146884 C13NOESY
224 1.602 25.565 1.609 38041584 C13NOESY
225 1.607 25.547 1.487 29016858 C13NOESY
226 1.846 25.566 1.610 6958696 C13NOESY
227 5.164 25.579 1.605 2170533 C13NOESY
228 5.167 25.582 1.483 2647886 C13NOESY
229 1.483 25.562 1.608 39424968 C13NOESY
230 1.448 25.733 1.468 16127546 C13NOESY
231 3.121 44.904 5.151 4642543 C13NOESY
232 5.159 44.880 3.124 5434019 C13NOESY
233 5.166 44.910 5.146 1443146 C13NOESY
234 0.774 45.018 3.148 1241203 C13NOESY
235 0.511 44.907 3.130 3198367 C13NOESY
236 0.512 44.924 5.154 1814989 C13NOESY
237 4.821 44.873 3.128 2940652 C13NOESY
238 4.817 44.890 5.151 2026342 C13NOESY
239 1.640 44.561 3.093 1384917 C13NOESY
240 0.683 44.911 3.114 1168172 C13NOESY
241 1.544 44.462 3.092 1733318 C13NOESY
242 4.932 60.003 4.939 15713694 C13NOESY
243 1.764 60.048 4.942 1819036 C13NOESY
244 0.776 60.026 4.943 5742192 C13NOESY
245 8.681 60.009 4.940 1242425 C13NOESY
246 5.738 59.999 4.940 2810715 C13NOESY
247 0.520 60.001 4.937 960065 C13NOESY
248 4.933 35.557 1.768 2924806 C13NOESY
249 1.766 35.540 1.770 34168964 C13NOESY
250 0.773 35.542 1.771 14213792 C13NOESY
251 2.136 35.515 1.771 1169448 C13NOESY
252 1.005 35.608 1.780 1545354 C13NOESY
253 8.177 21.586 0.795 1168097 C13NOESY
254 4.935 21.594 0.793 6972566 C13NOESY
255 1.010 21.602 0.792 14102314 C13NOESY
256 5.745 21.582 0.792 2021713 C13NOESY
257 7.276 21.615 0.793 2951390 C13NOESY
258 6.867 21.574 0.793 4899762 C13NOESY
259 1.764 21.635 0.792 13325428 C13NOESY
260 0.784 21.640 0.791 394433792 C13NOESY
261 3.754 63.829 3.758 13621551 C13NOESY
262 2.287 63.810 3.758 1394596 C13NOESY
263 0.519 63.824 3.756 5029674 C13NOESY
264 0.734 63.809 3.757 5095595 C13NOESY
265 9.084 63.822 3.770 1159834 C13NOESY
266 4.867 63.817 3.759 2650529 C13NOESY
267 0.943 63.914 3.756 1141870 C13NOESY
268 8.682 31.650 2.296 1060440 C13NOESY
269 0.522 31.563 2.290 4931570 C13NOESY
270 0.730 31.610 2.292 4966187 C13NOESY
271 3.551 31.613 2.287 1684979 C13NOESY
272 8.114 31.509 2.281 1034942 C13NOESY
273 3.752 22.211 0.525 3728992 C13NOESY
274 2.283 22.239 0.529 5670754 C13NOESY
275 0.524 22.237 0.529 73548768 C13NOESY
276 0.726 22.237 0.527 8487975 C13NOESY
277 3.548 22.293 0.526 2594496 C13NOESY
278 3.754 22.161 0.730 4225454 C13NOESY
279 2.284 22.181 0.729 7163898 C13NOESY
280 0.521 22.190 0.730 15294307 C13NOESY
281 0.949 22.208 0.728 7613082 C13NOESY
282 7.334 22.125 0.726 1024407 C13NOESY
283 2.970 22.143 0.733 2589533 C13NOESY
284 8.694 22.394 0.717 1640758 C13NOESY
285 4.393 55.838 4.377 10615408 C13NOESY
286 4.378 55.826 4.420 4715952 C13NOESY
287 0.762 55.810 4.397 9247579 C13NOESY
288 1.628 55.767 4.400 1864827 C13NOESY
289 1.474 55.807 4.394 4128564 C13NOESY
290 4.389 43.257 1.489 1822672 C13NOESY
291 0.806 43.311 1.488 2577033 C13NOESY
292 1.628 43.203 1.455 1390633 C13NOESY
293 0.481 43.291 1.490 1355510 C13NOESY
294 4.394 22.394 0.764 15354194 C13NOESY
295 0.519 22.215 0.785 9984376 C13NOESY
296 4.891 22.454 0.763 982081 C13NOESY
297 2.143 22.388 0.766 2774742 C13NOESY
298 1.632 22.390 0.764 10761888 C13NOESY
299 1.484 22.389 0.763 9606378 C13NOESY
300 9.216 22.340 0.764 1059992 C13NOESY
301 0.769 22.237 0.775 157192384 C13NOESY
302 4.390 25.696 0.821 1819202 C13NOESY
303 0.819 25.709 0.824 97709952 C13NOESY
304 0.851 25.773 0.856 151160000 C13NOESY
305 0.479 25.689 0.821 6236293 C13NOESY
306 1.324 25.788 0.861 6200942 C13NOESY
307 2.137 25.680 0.823 1848527 C13NOESY
308 1.646 25.709 0.820 7454948 C13NOESY
309 1.495 25.712 0.820 11868604 C13NOESY
310 3.749 26.562 1.638 1019571 C13NOESY
311 0.765 26.623 1.630 3917634 C13NOESY
312 1.444 26.624 1.638 1569021 C13NOESY
313 4.340 57.806 4.344 33931252 C13NOESY
314 3.804 57.811 4.344 6300288 C13NOESY
315 3.681 57.809 4.344 4670522 C13NOESY
316 8.471 57.842 4.348 1518582 C13NOESY
317 0.862 57.822 4.342 3370621 C13NOESY
318 0.548 57.808 4.344 4670820 C13NOESY
319 0.859 64.125 3.807 1609585 C13NOESY
320 0.861 64.075 3.681 1206746 C13NOESY
321 4.343 64.115 3.806 5487484 C13NOESY
322 4.342 64.128 3.684 3749492 C13NOESY
323 3.807 64.131 3.815 18704944 C13NOESY
324 3.806 64.116 3.682 13764559 C13NOESY
325 3.678 64.132 3.808 16801842 C13NOESY
326 3.681 64.106 3.686 15660379 C13NOESY
327 1.741 64.081 3.803 1430009 C13NOESY
328 1.749 64.079 3.682 1273239 C13NOESY
329 2.882 57.148 5.084 2137504 C13NOESY
330 2.717 57.160 5.081 2006208 C13NOESY
331 6.943 57.170 5.084 2159823 C13NOESY
332 5.076 57.165 5.081 12170296 C13NOESY
333 5.080 40.352 2.881 1334970 C13NOESY
334 5.094 40.450 2.690 985176 C13NOESY
335 5.081 40.348 2.722 1446510 C13NOESY
336 2.871 40.378 2.709 3961336 C13NOESY
337 2.708 40.388 2.883 4277196 C13NOESY
338 6.939 40.377 2.880 1778646 C13NOESY
339 6.933 40.424 2.702 1462959 C13NOESY
340 1.803 55.214 4.446 3850176 C13NOESY
341 3.087 55.241 4.448 2084658 C13NOESY
342 4.454 55.382 4.456 46275760 C13NOESY
343 8.553 55.272 4.446 1383743 C13NOESY
344 1.485 55.203 4.447 7319418 C13NOESY
345 4.442 31.589 1.810 2125174 C13NOESY
346 4.450 31.640 1.464 1468728 C13NOESY
347 1.799 31.602 1.465 5172616 C13NOESY
348 1.939 31.570 1.466 1210420 C13NOESY
349 1.474 31.603 1.812 10894317 C13NOESY
350 1.819 31.262 1.826 17693802 C13NOESY
351 3.141 31.347 1.816 3243884 C13NOESY
352 4.457 43.316 3.070 3120545 C13NOESY
353 4.454 43.346 3.111 2049958 C13NOESY
354 1.797 43.366 3.077 2185576 C13NOESY
355 1.953 43.643 3.087 1328434 C13NOESY
356 0.773 43.315 3.073 2751524 C13NOESY
357 1.492 43.352 3.067 8889932 C13NOESY
358 4.447 27.199 1.504 3399850 C13NOESY
359 1.805 27.199 1.502 6034746 C13NOESY
360 1.948 27.187 1.498 1686436 C13NOESY
361 4.570 56.123 4.573 578127488 C13NOESY
362 1.810 55.779 4.591 3839457 C13NOESY
363 1.600 55.721 4.591 4039369 C13NOESY
364 4.842 55.720 4.590 1786822 C13NOESY
365 6.871 56.246 4.546 3677548 C13NOESY
366 4.506 55.502 4.589 1742086 C13NOESY
367 4.593 31.325 1.820 2721528 C13NOESY
368 4.596 31.318 1.740 2295435 C13NOESY
369 1.815 31.288 1.738 12587100 C13NOESY
370 1.748 31.303 1.824 13475873 C13NOESY
371 3.146 31.279 1.741 2923919 C13NOESY
372 1.602 31.282 1.821 8731782 C13NOESY
373 1.599 31.286 1.748 6988474 C13NOESY
374 4.577 43.518 3.149 2521119 C13NOESY
375 1.602 43.468 3.150 18820834 C13NOESY
376 3.143 43.485 3.149 353192928 C13NOESY
377 1.718 43.586 3.153 16610068 C13NOESY
378 1.812 43.509 3.150 10364208 C13NOESY
379 4.585 27.307 1.604 3777591 C13NOESY
380 1.810 27.300 1.603 11589528 C13NOESY
381 1.717 27.330 1.605 12227781 C13NOESY
382 3.145 27.293 1.603 11132832 C13NOESY
383 1.598 27.355 1.603 138165440 C13NOESY
384 4.530 57.772 4.532 34001772 C13NOESY
385 3.997 57.768 4.534 5708386 C13NOESY
386 3.870 57.775 4.534 5550192 C13NOESY
387 4.848 57.760 4.535 2080041 C13NOESY
388 4.531 64.561 4.005 4366682 C13NOESY
389 4.534 64.560 3.867 4742416 C13NOESY
390 3.999 64.562 4.005 15685318 C13NOESY
391 4.000 64.566 3.867 18176436 C13NOESY
392 3.867 64.574 4.004 17568146 C13NOESY
393 3.865 64.556 3.866 22569906 C13NOESY
394 4.844 64.592 4.008 1218857 C13NOESY
395 4.843 64.545 3.862 1606381 C13NOESY
396 4.171 58.011 4.174 101999752 C13NOESY
397 1.842 58.015 4.173 14994249 C13NOESY
398 1.698 57.972 4.173 2454251 C13NOESY
399 1.461 58.011 4.174 6258999 C13NOESY
400 4.172 32.677 1.848 8976398 C13NOESY
401 1.842 32.683 1.848 103487576 C13NOESY
402 1.695 32.744 1.849 4460476 C13NOESY
403 3.006 32.777 1.839 1151622 C13NOESY
404 1.461 32.692 1.848 9237040 C13NOESY
405 2.996 29.113 1.699 14828149 C13NOESY
406 4.188 29.168 1.710 4164801 C13NOESY
407 1.857 29.159 1.711 4866484 C13NOESY
408 1.470 29.145 1.702 31707094 C13NOESY
409 1.700 29.136 1.703 422624032 C13NOESY
410 1.845 41.988 2.998 2721059 C13NOESY
411 2.996 42.065 2.999 2067085056 C13NOESY
412 1.437 42.039 3.002 11910499 C13NOESY
413 1.679 42.079 2.999 48785636 C13NOESY
414 4.174 25.003 1.468 3702078 C13NOESY
415 1.694 25.023 1.463 18406684 C13NOESY
416 1.827 24.963 1.474 11992097 C13NOESY
417 3.040 24.877 1.492 4446512 C13NOESY
418 1.467 24.966 1.469 183243008 C13NOESY
419 2.267 57.491 4.213 7655314 C13NOESY
420 4.207 57.498 4.211 143432688 C13NOESY
421 2.049 57.498 4.210 11336424 C13NOESY
422 4.207 29.680 2.067 4652295 C13NOESY
423 4.212 29.691 1.961 3866068 C13NOESY
424 2.058 29.725 2.057 20310586 C13NOESY
425 2.062 29.682 1.959 23513890 C13NOESY
426 1.954 29.693 2.066 26314782 C13NOESY
427 1.957 29.703 1.959 14699450 C13NOESY
428 2.265 29.700 2.067 10810178 C13NOESY
429 2.266 29.702 1.961 9403988 C13NOESY
430 1.852 36.499 2.269 1329263 C13NOESY
431 4.206 36.479 2.272 5133776 C13NOESY
432 2.063 36.497 2.280 15710322 C13NOESY
433 1.954 36.500 2.276 9216934 C13NOESY
434 2.271 36.475 2.273 182074512 C13NOESY
435 2.895 53.273 4.687 5620124 C13NOESY
436 2.725 53.258 4.686 5128463 C13NOESY
437 4.688 53.297 4.693 62658488 C13NOESY
438 4.682 39.022 2.889 4213662 C13NOESY
439 4.684 39.013 2.730 4406847 C13NOESY
440 2.890 39.013 2.891 24804998 C13NOESY
441 2.886 39.016 2.732 23031944 C13NOESY
442 2.727 39.022 2.891 22203744 C13NOESY
443 2.727 38.994 2.746 10072364 C13NOESY
444 7.624 39.101 2.897 978510 C13NOESY
445 1.999 56.629 4.252 7088688 C13NOESY
446 3.148 56.475 4.256 1450076 C13NOESY
447 1.850 56.618 4.255 7422508 C13NOESY
448 2.169 56.641 4.253 7320247 C13NOESY
449 4.254 56.664 4.259 94501288 C13NOESY
450 4.255 29.046 1.853 3796748 C13NOESY
451 1.844 29.003 2.173 2492743 C13NOESY
452 1.845 29.028 1.853 17808996 C13NOESY
453 2.007 29.022 1.853 18720014 C13NOESY
454 2.170 29.004 1.854 10745658 C13NOESY
455 4.249 33.686 2.177 6829812 C13NOESY
456 1.851 33.679 2.177 15290012 C13NOESY
457 2.008 33.669 2.177 18875244 C13NOESY
458 2.175 33.651 2.015 1546108 C13NOESY
459 2.173 33.673 2.177 260612944 C13NOESY
460 3.178 55.880 4.683 5481918 C13NOESY
461 3.053 55.873 4.683 4049743 C13NOESY
462 4.675 55.745 4.679 51533392 C13NOESY
463 4.684 30.914 3.183 2958470 C13NOESY
464 4.676 30.920 3.052 2818110 C13NOESY
465 3.164 30.708 3.166 140262352 C13NOESY
466 3.146 30.672 3.043 104086032 C13NOESY
467 3.038 30.703 3.167 95739344 C13NOESY
468 3.041 30.702 3.041 263801344 C13NOESY
469 4.847 30.882 3.026 1238632 C13NOESY
470 3.018 53.215 4.855 1234165 C13NOESY
471 4.820 53.106 4.796 1389955 C13NOESY
472 4.819 38.448 2.732 3275003 C13NOESY
473 4.827 38.473 2.809 1501496 C13NOESY
474 2.748 38.485 2.771 16154721 C13NOESY
475 2.779 38.483 2.731 12263899 C13NOESY
476 5.091 53.103 4.787 1112249 C13NOESY
477 4.833 38.864 3.144 1919302 C13NOESY
478 4.830 38.863 2.504 2040909 C13NOESY
479 3.139 38.843 2.513 5239444 C13NOESY
480 2.510 38.838 3.140 5368860 C13NOESY
481 2.514 38.859 2.500 2546937 C13NOESY
482 5.101 61.219 5.102 18952050 C13NOESY
483 1.956 61.230 5.103 1562737 C13NOESY
484 0.916 61.254 5.100 4409260 C13NOESY
485 0.775 61.170 5.104 3518307 C13NOESY
486 9.097 61.239 5.103 1413202 C13NOESY
487 1.484 34.067 1.954 1320250 C13NOESY
488 0.916 34.124 1.954 4003354 C13NOESY
489 0.773 34.125 1.956 4477498 C13NOESY
490 1.948 34.048 1.952 6380888 C13NOESY
491 4.842 21.550 0.919 2678612 C13NOESY
492 8.297 21.596 0.923 1025077 C13NOESY
493 5.112 21.572 0.921 9634634 C13NOESY
494 1.625 21.550 0.920 5923575 C13NOESY
495 1.834 21.526 0.919 2970064 C13NOESY
496 1.948 21.577 0.920 12787043 C13NOESY
497 0.914 21.516 0.919 455791552 C13NOESY
498 0.799 21.524 0.919 35796192 C13NOESY
499 1.518 21.559 0.919 5818052 C13NOESY
500 1.702 21.507 0.918 5882641 C13NOESY
501 1.947 21.834 0.777 9346506 C13NOESY
502 0.908 21.851 0.777 13991293 C13NOESY
503 9.103 21.804 0.778 1166809 C13NOESY
504 0.130 21.829 0.778 3111368 C13NOESY
505 1.320 21.909 0.780 1611075 C13NOESY
506 1.671 21.799 0.782 2146482 C13NOESY
507 1.506 21.835 0.778 7372190 C13NOESY
508 5.105 21.843 0.777 6399361 C13NOESY
509 1.066 22.237 0.790 2511629 C13NOESY
510 3.023 21.820 0.777 2475365 C13NOESY
511 3.115 21.573 0.789 1091184 C13NOESY
512 1.855 53.074 5.065 1237188 C13NOESY
513 1.749 53.092 5.066 1295127 C13NOESY
514 5.069 53.052 5.067 8370752 C13NOESY
515 1.868 36.754 1.746 1834777 C13NOESY
516 1.742 36.782 1.868 1801455 C13NOESY
517 2.074 36.861 1.762 984404 C13NOESY
518 0.756 36.655 1.865 983363 C13NOESY
519 1.872 36.375 1.874 18200720 C13NOESY
520 5.073 36.692 1.870 997410 C13NOESY
521 5.081 36.779 1.739 1117594 C13NOESY
522 5.068 32.196 2.072 1403087 C13NOESY
523 5.090 32.238 2.205 1416533 C13NOESY
524 1.867 32.135 2.200 1570194 C13NOESY
525 1.739 32.209 2.081 2342456 C13NOESY
526 2.081 32.443 2.198 4607602 C13NOESY
527 2.083 32.248 2.196 7509748 C13NOESY
528 0.747 32.215 2.081 1629831 C13NOESY
529 0.737 32.233 2.198 1357539 C13NOESY
530 1.059 32.287 2.069 976782 C13NOESY
531 2.181 32.256 2.186 5964696 C13NOESY
532 1.887 32.100 2.086 3515497 C13NOESY
533 2.099 32.056 2.113 7325914 C13NOESY
534 2.176 32.140 2.088 10533040 C13NOESY
535 2.193 58.882 4.782 1100183 C13NOESY
536 4.751 59.122 4.751 8678442 C13NOESY
537 0.129 59.126 4.747 1925293 C13NOESY
538 0.757 59.145 4.749 1163320 C13NOESY
539 0.475 59.132 4.748 2319970 C13NOESY
540 9.056 59.208 4.748 1920073 C13NOESY
541 0.944 58.889 4.745 1329122 C13NOESY
542 5.179 59.170 4.749 1252816 C13NOESY
543 4.739 35.984 1.761 1017397 C13NOESY
544 0.132 35.996 1.752 1313664 C13NOESY
545 0.483 35.969 1.752 3252783 C13NOESY
546 0.814 10.329 0.127 1023809 C13NOESY
547 0.851 10.543 0.103 1714809 C13NOESY
548 1.497 10.466 0.112 1088414 C13NOESY
549 0.777 10.516 0.114 1698410 C13NOESY
550 1.750 27.414 0.851 1665969 C13NOESY
551 0.128 27.337 0.858 2809206 C13NOESY
552 0.133 27.387 0.768 2776934 C13NOESY
553 0.465 27.358 0.878 1660396 C13NOESY
554 0.865 27.387 0.758 2612477 C13NOESY
555 0.732 27.385 0.861 1698630 C13NOESY
556 1.635 18.436 0.482 2223573 C13NOESY
557 4.754 18.429 0.480 4706270 C13NOESY
558 1.745 18.436 0.481 6828454 C13NOESY
559 0.129 18.415 0.481 6633648 C13NOESY
560 0.476 18.408 0.480 102915704 C13NOESY
561 4.850 18.377 0.478 1456200 C13NOESY
562 2.728 18.353 0.482 1152822 C13NOESY
563 0.757 18.244 0.524 14803075 C13NOESY
564 9.064 18.405 0.482 2016818 C13NOESY
565 0.813 18.422 0.480 9918301 C13NOESY
566 1.506 18.413 0.481 9698336 C13NOESY
567 8.752 18.199 0.520 1619765 C13NOESY
568 4.871 42.901 1.431 1114060 C13NOESY
569 1.440 42.958 1.410 3000839 C13NOESY
570 0.506 42.909 1.423 4322253 C13NOESY
571 0.716 42.923 1.427 4725918 C13NOESY
572 4.864 16.020 0.761 979033 C13NOESY
573 1.403 16.039 0.758 2802541 C13NOESY
574 1.320 16.036 0.760 3846347 C13NOESY
575 0.950 16.036 0.757 5417078 C13NOESY
576 0.514 16.058 0.753 8426186 C13NOESY
577 1.053 16.063 0.752 3994069 C13NOESY
578 0.643 16.161 0.725 23348228 C13NOESY
579 0.753 16.039 0.749 56844020 C13NOESY
580 3.760 28.166 1.324 1034432 C13NOESY
581 4.867 28.164 1.327 1435483 C13NOESY
582 1.436 28.227 0.951 1475661 C13NOESY
583 0.742 28.130 0.958 3345813 C13NOESY
584 1.321 28.160 0.952 5062403 C13NOESY
585 0.508 28.143 1.326 3465482 C13NOESY
586 0.513 28.154 0.962 2828210 C13NOESY
587 0.745 28.173 1.326 6220722 C13NOESY
588 1.321 28.200 1.331 4678966 C13NOESY
589 0.947 28.153 1.325 6403047 C13NOESY
590 3.120 17.566 0.510 3059988 C13NOESY
591 5.148 17.571 0.509 2510349 C13NOESY
592 3.751 17.564 0.507 1435024 C13NOESY
593 4.859 17.559 0.509 5142678 C13NOESY
594 1.422 17.566 0.509 8307866 C13NOESY
595 0.953 17.530 0.507 3843662 C13NOESY
596 0.504 17.559 0.509 119941624 C13NOESY
597 9.206 17.624 0.507 1319332 C13NOESY
598 2.066 17.507 0.507 997370 C13NOESY
599 4.372 17.528 0.517 1129448 C13NOESY
600 0.740 17.584 0.509 12617226 C13NOESY
601 5.103 50.849 5.097 3026139 C13NOESY
602 1.644 50.846 5.105 2078402 C13NOESY
603 4.376 50.861 5.106 2139668 C13NOESY
604 3.908 50.857 5.105 2000459 C13NOESY
605 4.916 50.861 5.108 1996960 C13NOESY
606 1.502 50.861 5.100 2397778 C13NOESY
607 0.775 34.953 1.688 1870577 C13NOESY
608 0.795 34.869 2.147 3733306 C13NOESY
609 2.127 34.725 2.146 2070936 C13NOESY
610 2.132 34.977 1.691 2461012 C13NOESY
611 1.494 34.914 2.149 2460328 C13NOESY
612 1.664 34.936 2.144 3512232 C13NOESY
613 0.844 35.175 1.708 1054978 C13NOESY
614 0.965 60.940 4.797 1553152 C13NOESY
615 0.772 61.357 4.852 1539539 C13NOESY
616 4.826 30.576 2.051 1295809 C13NOESY
617 4.844 30.726 1.925 1463452 C13NOESY
618 1.917 30.718 2.035 1963621 C13NOESY
619 0.688 30.640 2.065 1226736 C13NOESY
620 0.869 30.666 2.051 2344387 C13NOESY
621 0.874 30.726 1.910 1864181 C13NOESY
622 2.032 30.652 1.908 3244073 C13NOESY
623 0.972 30.672 1.884 1295442 C13NOESY
624 5.102 53.076 4.385 2442781 C13NOESY
625 5.100 53.107 3.915 2266998 C13NOESY
626 1.635 53.153 4.375 1171138 C13NOESY
627 4.383 53.115 3.919 3038388 C13NOESY
628 3.912 53.098 4.381 2851098 C13NOESY
629 3.919 53.112 3.918 2335844 C13NOESY
630 1.452 52.901 4.348 1059810 C13NOESY
631 4.924 53.063 4.392 1553190 C13NOESY
632 4.920 53.082 3.921 1458835 C13NOESY
633 0.711 52.984 3.917 982758 C13NOESY
634 2.025 53.068 4.387 1605599 C13NOESY
635 2.012 53.111 3.928 1968400 C13NOESY
636 1.480 53.072 4.377 1945942 C13NOESY
637 1.482 53.110 3.919 2304084 C13NOESY
638 0.959 53.089 3.907 1099547 C13NOESY
639 3.919 28.328 2.012 1333805 C13NOESY
640 3.919 28.387 1.470 1372701 C13NOESY
641 1.460 28.348 2.024 3545356 C13NOESY
642 0.695 28.362 2.013 1585922 C13NOESY
643 0.698 28.301 1.468 2394899 C13NOESY
644 2.021 28.385 1.465 4463770 C13NOESY
645 0.963 28.305 1.462 1617724 C13NOESY
646 0.904 28.371 2.023 1959224 C13NOESY
647 0.893 28.321 1.462 1709163 C13NOESY
648 4.095 57.466 4.100 31991536 C13NOESY
649 1.795 57.475 4.100 3691428 C13NOESY
650 1.600 57.471 4.100 5438493 C13NOESY
651 1.706 57.439 4.102 2929305 C13NOESY
652 1.009 57.471 4.101 11888942 C13NOESY
653 8.817 57.532 4.102 1692272 C13NOESY
654 1.515 40.338 1.773 1526983 C13NOESY
655 1.506 40.325 1.591 4918703 C13NOESY
656 4.097 40.648 1.800 1866428 C13NOESY
657 4.090 40.711 1.599 2294954 C13NOESY
658 1.794 40.645 1.604 6839856 C13NOESY
659 1.600 40.639 1.797 7067228 C13NOESY
660 1.015 40.638 1.799 4316710 C13NOESY
661 1.016 40.658 1.602 4630780 C13NOESY
662 5.166 25.501 1.030 1494180 C13NOESY
663 1.481 25.468 1.027 4617345 C13NOESY
664 2.700 25.486 1.032 1838104 C13NOESY
665 0.782 25.512 1.026 4084689 C13NOESY
666 4.093 25.514 1.027 2289464 C13NOESY
667 1.601 25.486 1.027 7662498 C13NOESY
668 1.704 25.487 1.027 9126236 C13NOESY
669 6.865 25.479 1.025 4339027 C13NOESY
670 1.815 25.491 1.026 10114340 C13NOESY
671 1.020 25.509 1.025 318103680 C13NOESY
672 5.152 23.223 1.009 1634383 C13NOESY
673 4.097 23.229 1.009 14190866 C13NOESY
674 1.704 23.242 1.009 12820872 C13NOESY
675 8.897 23.239 1.017 1150338 C13NOESY
676 1.005 23.241 1.009 368787104 C13NOESY
677 1.486 23.268 1.004 3063918 C13NOESY
678 1.600 23.246 1.008 7047238 C13NOESY
679 8.885 28.152 1.701 1216710 C13NOESY
680 1.780 28.210 1.699 3854530 C13NOESY
681 1.606 28.140 1.707 4198272 C13NOESY
682 1.013 28.168 1.706 11672950 C13NOESY
683 4.097 28.176 1.710 2139558 C13NOESY
684 8.819 55.574 4.474 1657312 C13NOESY
685 2.965 55.494 4.465 5909845 C13NOESY
686 2.711 55.483 4.461 3787315 C13NOESY
687 4.456 40.461 2.970 5241534 C13NOESY
688 4.454 40.487 2.715 3072239 C13NOESY
689 2.964 40.464 2.716 14512512 C13NOESY
690 2.711 40.466 2.969 18983088 C13NOESY
691 2.622 40.365 2.710 2542352 C13NOESY
692 2.670 40.403 2.731 5080648 C13NOESY
693 1.971 62.509 4.161 2828358 C13NOESY
694 0.975 62.496 4.163 6485418 C13NOESY
695 0.869 62.495 4.163 8630089 C13NOESY
696 8.805 62.509 4.163 2108531 C13NOESY
697 4.159 62.514 4.162 30287366 C13NOESY
698 0.970 32.625 1.971 2974361 C13NOESY
699 0.870 32.624 1.974 3527138 C13NOESY
700 4.157 21.913 0.980 7591496 C13NOESY
701 8.800 21.820 0.977 965615 C13NOESY
702 7.338 21.839 0.981 1342632 C13NOESY
703 2.171 21.882 0.979 5552109 C13NOESY
704 8.128 21.796 0.978 1044560 C13NOESY
705 3.827 21.881 0.979 7916156 C13NOESY
706 1.366 21.857 0.979 7515528 C13NOESY
707 4.508 21.881 0.981 3521588 C13NOESY
708 3.139 21.904 0.981 2522314 C13NOESY
709 1.982 21.878 0.980 13167676 C13NOESY
710 0.975 22.063 0.980 410835104 C13NOESY
711 1.464 21.017 0.868 1242514 C13NOESY
712 1.773 20.989 0.875 1398012 C13NOESY
713 4.159 21.040 0.872 7826642 C13NOESY
714 0.963 21.025 0.869 17334190 C13NOESY
715 0.867 21.031 0.870 107155816 C13NOESY
716 2.169 20.961 0.872 1078860 C13NOESY
717 1.976 21.034 0.871 10202768 C13NOESY
718 3.002 53.357 5.409 1234666 C13NOESY
719 5.410 53.187 5.412 25314568 C13NOESY
720 3.115 53.177 5.414 4742160 C13NOESY
721 2.615 53.172 5.415 2958810 C13NOESY
722 4.501 53.166 5.416 2121130 C13NOESY
723 2.975 41.645 3.098 1357773 C13NOESY
724 2.999 41.165 2.600 1024388 C13NOESY
725 5.409 41.146 3.114 3701069 C13NOESY
726 5.416 41.175 2.620 2626972 C13NOESY
727 3.123 41.150 3.112 4383285 C13NOESY
728 3.113 41.153 2.620 11534414 C13NOESY
729 2.616 41.150 3.116 12469036 C13NOESY
730 2.615 41.162 2.620 12665963 C13NOESY
731 7.890 41.218 3.114 1064682 C13NOESY
732 4.875 56.330 4.902 1703095 C13NOESY
733 4.259 56.684 4.860 3602482 C13NOESY
734 4.876 67.107 4.352 4472698 C13NOESY
735 4.870 67.089 3.935 4801220 C13NOESY
736 4.349 67.090 3.937 8053803 C13NOESY
737 3.933 67.103 4.354 8447634 C13NOESY
738 3.935 67.061 3.934 7462422 C13NOESY
739 1.014 58.941 4.228 3239864 C13NOESY
740 4.857 58.863 4.231 1279161 C13NOESY
741 4.225 58.841 4.230 28405628 C13NOESY
742 1.924 58.932 4.229 3735201 C13NOESY
743 1.830 58.920 4.230 4420528 C13NOESY
744 3.178 58.904 4.222 1261852 C13NOESY
745 1.709 58.933 4.230 5442588 C13NOESY
746 1.368 58.931 4.228 6553401 C13NOESY
747 0.962 58.955 4.228 2415186 C13NOESY
748 4.537 58.893 4.233 1860471 C13NOESY
749 3.150 58.930 4.230 1456281 C13NOESY
750 8.139 58.958 4.219 965042 C13NOESY
751 4.220 30.666 1.932 2362662 C13NOESY
752 4.225 30.655 1.842 2509898 C13NOESY
753 1.839 30.764 1.939 13432419 C13NOESY
754 3.173 30.683 1.929 2539078 C13NOESY
755 3.178 30.645 1.840 2137252 C13NOESY
756 1.716 30.624 1.846 4969636 C13NOESY
757 4.529 30.676 1.933 2622954 C13NOESY
758 4.528 30.673 1.840 2758102 C13NOESY
759 1.844 31.034 1.849 20907862 C13NOESY
760 1.922 30.618 1.928 19726956 C13NOESY
761 1.711 30.661 1.930 7729249 C13NOESY
762 4.226 43.558 3.183 1339480 C13NOESY
763 1.915 43.648 3.199 3979139 C13NOESY
764 1.922 43.624 3.161 3633220 C13NOESY
765 4.551 43.622 3.153 2682371 C13NOESY
766 1.129 43.674 3.174 4311262 C13NOESY
767 3.191 43.566 3.199 158605440 C13NOESY
768 4.223 27.319 1.711 4035756 C13NOESY
769 3.171 27.363 1.711 8186944 C13NOESY
770 1.016 27.332 1.713 2707316 C13NOESY
771 1.534 27.668 1.737 10436379 C13NOESY
772 1.712 27.355 1.718 46334520 C13NOESY
773 1.711 60.640 4.005 1121786 C13NOESY
774 2.148 60.609 4.012 6077636 C13NOESY
775 1.949 60.580 4.012 7018436 C13NOESY
776 2.459 60.607 4.009 2623778 C13NOESY
777 2.266 60.597 4.010 5351800 C13NOESY
778 4.008 60.592 4.012 53559800 C13NOESY
779 4.006 28.891 2.147 4448139 C13NOESY
780 4.007 28.891 1.952 5381315 C13NOESY
781 1.948 28.898 2.148 18514880 C13NOESY
782 2.438 28.876 2.148 5301248 C13NOESY
783 2.456 28.898 1.953 5163512 C13NOESY
784 2.266 28.881 2.148 6040157 C13NOESY
785 2.258 28.870 1.952 6259630 C13NOESY
786 2.148 28.895 1.955 22509274 C13NOESY
787 1.953 28.859 1.959 62452364 C13NOESY
788 2.136 28.858 2.145 38821744 C13NOESY
789 4.009 37.103 2.463 3901272 C13NOESY
790 4.008 37.091 2.272 5133224 C13NOESY
791 2.144 37.094 2.465 7206146 C13NOESY
792 1.949 37.093 2.464 7457400 C13NOESY
793 2.459 37.086 2.467 74502688 C13NOESY
794 2.455 37.073 2.277 41230420 C13NOESY
795 2.271 37.092 2.463 40593856 C13NOESY
796 2.153 36.973 2.281 9146900 C13NOESY
797 1.958 36.983 2.280 6464073 C13NOESY
798 0.967 58.619 4.089 1408091 C13NOESY
799 7.624 58.684 4.091 1017190 C13NOESY
800 4.092 58.619 4.096 38464108 C13NOESY
801 2.168 58.635 4.097 5093365 C13NOESY
802 1.997 58.621 4.098 4154604 C13NOESY
803 2.410 58.596 4.094 2718544 C13NOESY
804 2.284 58.618 4.097 4234192 C13NOESY
805 1.859 58.600 4.089 1245529 C13NOESY
806 1.501 58.631 4.089 1485100 C13NOESY
807 1.626 58.660 4.095 1415989 C13NOESY
808 1.717 58.641 4.094 3342420 C13NOESY
809 2.923 58.673 4.095 1711705 C13NOESY
810 0.976 30.861 2.170 3520257 C13NOESY
811 0.979 30.840 2.000 3180772 C13NOESY
812 0.868 30.803 2.178 1069802 C13NOESY
813 0.864 30.842 1.998 1339435 C13NOESY
814 4.095 30.889 2.177 2548418 C13NOESY
815 4.095 30.884 2.004 2146636 C13NOESY
816 1.999 30.865 2.174 6191028 C13NOESY
817 2.406 30.928 2.170 1675130 C13NOESY
818 2.407 30.886 2.001 2646092 C13NOESY
819 2.290 30.866 2.176 2627084 C13NOESY
820 2.286 30.868 2.005 2850151 C13NOESY
821 2.168 30.917 1.992 8379500 C13NOESY
822 0.973 36.838 2.411 2294904 C13NOESY
823 0.972 36.770 2.283 1008961 C13NOESY
824 0.864 36.780 2.420 1091030 C13NOESY
825 4.095 36.855 2.412 4198774 C13NOESY
826 4.095 36.836 2.290 4029508 C13NOESY
827 1.994 36.825 2.412 5307004 C13NOESY
828 2.411 36.867 2.291 29730676 C13NOESY
829 2.286 36.840 2.412 32250846 C13NOESY
830 7.628 36.802 2.282 1159898 C13NOESY
831 2.436 36.527 2.441 235275248 C13NOESY
832 1.468 55.314 3.831 1163452 C13NOESY
833 8.129 55.352 3.831 1145731 C13NOESY
834 3.828 55.297 3.832 28981366 C13NOESY
835 1.366 55.300 3.830 9579585 C13NOESY
836 0.734 55.327 3.834 1593629 C13NOESY
837 1.769 55.300 3.830 3067310 C13NOESY
838 2.006 55.334 3.833 1870298 C13NOESY
839 0.970 55.308 3.831 10028108 C13NOESY
840 3.935 18.402 1.370 1146043 C13NOESY
841 1.501 18.702 1.332 1286428 C13NOESY
842 0.837 18.848 1.349 1158592 C13NOESY
843 4.222 18.366 1.373 5662504 C13NOESY
844 1.816 18.377 1.375 987780 C13NOESY
845 8.134 18.406 1.374 2838948 C13NOESY
846 3.830 18.365 1.373 10211468 C13NOESY
847 1.366 18.366 1.372 116300504 C13NOESY
848 8.277 18.394 1.367 1280159 C13NOESY
849 2.287 18.410 1.373 1867847 C13NOESY
850 4.505 18.358 1.371 3269812 C13NOESY
851 3.143 18.369 1.373 4794721 C13NOESY
852 4.860 18.360 1.374 1851381 C13NOESY
853 0.722 18.338 1.371 1570153 C13NOESY
854 2.017 18.303 1.368 1547955 C13NOESY
855 0.979 18.365 1.372 21320808 C13NOESY
856 3.872 61.550 3.875 29555354 C13NOESY
857 3.997 61.540 3.880 5407263 C13NOESY
858 1.875 61.474 3.874 1011747 C13NOESY
859 0.909 61.562 3.876 7210774 C13NOESY
860 1.615 61.552 3.874 3018852 C13NOESY
861 1.018 61.549 3.874 6405132 C13NOESY
862 1.717 62.996 4.004 1199563 C13NOESY
863 8.281 63.044 3.994 1940031 C13NOESY
864 3.884 62.981 3.994 7270379 C13NOESY
865 1.012 62.965 3.994 2679398 C13NOESY
866 3.995 63.013 3.997 69936936 C13NOESY
867 0.911 62.995 4.001 3179821 C13NOESY
868 7.134 57.594 4.206 1489481 C13NOESY
869 1.851 57.561 4.206 7240908 C13NOESY
870 1.495 57.533 4.207 5689447 C13NOESY
871 1.625 57.524 4.207 4210966 C13NOESY
872 1.714 57.540 4.208 4091771 C13NOESY
873 4.188 32.443 2.013 1201800 C13NOESY
874 4.201 32.107 2.017 2805053 C13NOESY
875 2.002 32.055 2.052 1951866 C13NOESY
876 2.032 32.071 2.010 3501241 C13NOESY
877 2.042 32.443 1.860 1056596 C13NOESY
878 2.025 32.113 1.858 5396026 C13NOESY
879 1.867 32.443 2.034 1484183 C13NOESY
880 1.857 32.107 2.023 6551464 C13NOESY
881 1.499 32.169 2.026 1796909 C13NOESY
882 1.502 32.127 1.874 1462666 C13NOESY
883 1.633 32.137 2.010 1581272 C13NOESY
884 1.635 32.123 1.855 1070511 C13NOESY
885 1.722 32.148 2.023 3109284 C13NOESY
886 4.093 29.209 1.723 3256884 C13NOESY
887 2.932 29.224 1.724 9412789 C13NOESY
888 2.953 29.620 1.709 11454163 C13NOESY
889 2.010 29.196 1.728 4117938 C13NOESY
890 4.094 42.183 2.910 1913114 C13NOESY
891 2.941 42.115 2.912 129370184 C13NOESY
892 1.850 42.212 2.910 1118308 C13NOESY
893 4.211 25.502 1.501 2410079 C13NOESY
894 4.210 25.508 1.631 2146498 C13NOESY
895 2.018 25.498 1.504 2327632 C13NOESY
896 2.010 25.511 1.628 2495528 C13NOESY
897 1.721 25.514 1.630 7265694 C13NOESY
898 2.953 25.360 1.511 3682093 C13NOESY
899 1.706 25.212 1.499 13223544 C13NOESY
900 4.130 54.189 4.134 13210381 C13NOESY
901 1.587 54.171 4.137 2909755 C13NOESY
902 2.012 54.200 4.130 2204201 C13NOESY
903 0.906 54.234 4.123 1692163 C13NOESY
904 0.738 54.189 4.136 6560745 C13NOESY
905 3.273 54.273 4.144 989810 C13NOESY
906 1.848 54.283 4.174 1850285 C13NOESY
907 1.750 54.157 4.132 2699334 C13NOESY
908 4.150 42.216 1.590 1295828 C13NOESY
909 4.134 42.131 2.036 1198298 C13NOESY
910 1.578 42.157 2.019 3912232 C13NOESY
911 2.017 42.188 1.579 3988011 C13NOESY
912 0.910 42.169 2.025 2317106 C13NOESY
913 1.764 42.179 2.027 1572946 C13NOESY
914 0.756 42.143 2.023 2895132 C13NOESY
915 1.555 42.418 1.583 16337889 C13NOESY
916 0.879 42.314 1.575 3856578 C13NOESY
917 0.758 42.166 1.577 3421101 C13NOESY
918 1.897 26.638 0.918 1711693 C13NOESY
919 1.464 26.674 0.918 2744544 C13NOESY
920 3.831 26.632 0.919 2843087 C13NOESY
921 1.376 26.689 0.918 2273493 C13NOESY
922 4.137 26.658 0.922 1746948 C13NOESY
923 1.567 26.665 0.919 3243156 C13NOESY
924 0.914 26.640 0.919 76014216 C13NOESY
925 0.725 26.639 0.917 12121295 C13NOESY
926 1.769 26.751 0.917 5761020 C13NOESY
927 2.018 26.648 0.918 7644424 C13NOESY
928 1.837 22.602 0.710 1147223 C13NOESY
929 4.130 23.017 0.737 8397776 C13NOESY
930 1.577 23.051 0.738 4565062 C13NOESY
931 0.894 23.012 0.735 15699905 C13NOESY
932 0.731 22.987 0.736 161968896 C13NOESY
933 1.765 23.015 0.735 8850590 C13NOESY
934 2.017 23.017 0.737 5096912 C13NOESY
935 1.594 27.283 1.809 1467274 C13NOESY
936 0.914 26.988 1.778 4180946 C13NOESY
937 0.732 27.183 1.780 3014570 C13NOESY
938 1.982 27.243 1.758 1649347 C13NOESY
939 3.250 63.908 3.246 14057214 C13NOESY
940 1.865 63.842 3.248 1974376 C13NOESY
941 1.094 63.890 3.254 2505138 C13NOESY
942 1.610 63.932 3.253 2467615 C13NOESY
943 8.885 63.967 3.256 1618975 C13NOESY
944 2.164 63.930 3.253 2276526 C13NOESY
945 0.772 63.924 3.252 7660422 C13NOESY
946 0.890 63.910 3.254 9746940 C13NOESY
947 4.169 36.394 1.844 1403435 C13NOESY
948 3.244 36.415 1.868 1836582 C13NOESY
949 1.090 36.382 1.870 2524910 C13NOESY
950 1.613 36.410 1.875 2630143 C13NOESY
951 0.892 36.376 1.872 13094532 C13NOESY
952 6.965 36.463 1.869 1916908 C13NOESY
953 3.250 12.435 0.879 1400085 C13NOESY
954 1.867 12.258 0.880 2442930 C13NOESY
955 1.868 12.462 0.922 1957716 C13NOESY
956 1.098 12.454 0.933 4734982 C13NOESY
957 1.097 12.317 0.880 4037550 C13NOESY
958 1.096 12.413 0.886 3678052 C13NOESY
959 1.596 12.228 0.880 3210654 C13NOESY
960 1.613 12.458 0.925 2808781 C13NOESY
961 1.609 12.350 0.889 2690885 C13NOESY
962 0.799 12.148 0.879 167359376 C13NOESY
963 4.671 12.377 0.880 2138184 C13NOESY
964 2.296 12.524 0.892 2101914 C13NOESY
965 1.021 12.462 0.932 3295574 C13NOESY
966 0.914 12.509 0.882 37891704 C13NOESY
967 3.874 28.800 1.096 1395068 C13NOESY
968 6.962 28.809 1.612 1541189 C13NOESY
969 3.249 28.787 1.093 2166464 C13NOESY
970 3.251 28.778 1.616 1671814 C13NOESY
971 1.869 28.804 1.093 1979919 C13NOESY
972 1.875 28.799 1.623 2897924 C13NOESY
973 1.090 28.769 1.096 4299124 C13NOESY
974 1.612 28.813 1.095 8727654 C13NOESY
975 0.895 28.792 1.096 9855906 C13NOESY
976 0.899 28.818 1.620 10725339 C13NOESY
977 1.084 28.805 1.621 10620603 C13NOESY
978 6.965 17.666 0.892 1168158 C13NOESY
979 3.248 17.684 0.892 7741966 C13NOESY
980 1.868 17.684 0.892 16186960 C13NOESY
981 1.086 17.710 0.892 5091158 C13NOESY
982 1.615 17.692 0.893 4577747 C13NOESY
983 8.876 17.740 0.891 1304600 C13NOESY
984 0.776 17.764 0.896 2887633 C13NOESY
985 4.651 17.687 0.891 6237928 C13NOESY
986 0.889 17.686 0.893 229765632 C13NOESY
987 0.882 44.748 4.525 1685013 C13NOESY
988 0.884 44.766 3.615 1400908 C13NOESY
989 8.884 44.782 4.532 1348238 C13NOESY
990 8.885 44.778 3.615 1248564 C13NOESY
991 4.524 44.705 3.613 15247822 C13NOESY
992 3.607 44.700 4.527 14316104 C13NOESY
993 3.614 44.667 3.609 15288063 C13NOESY
994 2.919 44.740 3.604 1186760 C13NOESY
995 1.230 44.718 4.520 1067663 C13NOESY
996 1.214 44.745 3.613 1169645 C13NOESY
997 4.519 44.767 4.510 11898292 C13NOESY
998 7.941 56.373 4.489 998992 C13NOESY
999 4.488 56.334 4.491 16866414 C13NOESY
1000 2.124 56.273 4.486 1616115 C13NOESY
1001 1.895 56.297 4.484 1506580 C13NOESY
1002 1.652 56.336 4.485 1933484 C13NOESY
1003 1.720 56.389 4.484 1956559 C13NOESY
1004 8.401 56.312 4.488 1125500 C13NOESY
1005 0.778 56.303 4.487 1070275 C13NOESY
1006 0.880 30.553 2.111 1128686 C13NOESY
1007 4.477 30.566 2.122 1293413 C13NOESY
1008 2.111 30.245 2.114 24478918 C13NOESY
1009 2.101 30.700 1.883 3389610 C13NOESY
1010 1.890 30.568 2.110 2791593 C13NOESY
1011 2.994 30.989 2.097 1110795 C13NOESY
1012 0.776 30.584 2.101 1894330 C13NOESY
1013 0.781 30.605 1.908 1858924 C13NOESY
1014 0.702 30.692 1.896 1210155 C13NOESY
1015 0.782 28.174 1.710 2237340 C13NOESY
1016 4.476 28.248 1.654 1192783 C13NOESY
1017 4.475 28.323 1.724 1609343 C13NOESY
1018 2.118 28.260 1.641 1055941 C13NOESY
1019 3.049 28.248 1.635 1270039 C13NOESY
1020 4.495 54.780 4.811 4045038 C13NOESY
1021 2.161 54.666 4.789 1093704 C13NOESY
1022 4.774 54.501 4.775 6468686 C13NOESY
1023 1.003 54.503 4.771 1069442 C13NOESY
1024 8.200 54.531 4.774 2643494 C13NOESY
1025 5.151 54.608 4.781 4353190 C13NOESY
1026 1.540 54.634 4.754 1110810 C13NOESY
1027 1.205 54.568 4.776 1083795 C13NOESY
1028 1.574 54.574 4.775 2343200 C13NOESY
1029 2.135 44.059 1.666 1505065 C13NOESY
1030 3.000 43.967 1.632 984906 C13NOESY
1031 4.788 44.090 1.668 2010022 C13NOESY
1032 4.799 44.081 1.568 1290174 C13NOESY
1033 4.776 44.024 1.609 1344952 C13NOESY
1034 1.671 44.067 1.590 6645354 C13NOESY
1035 0.977 44.109 1.667 2394306 C13NOESY
1036 8.205 44.026 1.672 1049122 C13NOESY
1037 1.588 44.085 1.675 11238519 C13NOESY
1038 0.867 44.093 1.667 4437337 C13NOESY
1039 0.872 44.092 1.593 2050967 C13NOESY
1040 2.158 24.932 0.992 1216316 C13NOESY
1041 4.767 24.774 1.005 4363995 C13NOESY
1042 1.696 24.777 1.002 9664434 C13NOESY
1043 0.997 24.781 1.003 312773376 C13NOESY
1044 0.875 24.820 1.003 22065526 C13NOESY
1045 1.834 24.779 1.000 2359118 C13NOESY
1046 2.952 24.813 1.001 2788840 C13NOESY
1047 1.602 24.759 1.004 12053399 C13NOESY
1048 4.780 24.947 0.883 2566719 C13NOESY
1049 0.992 24.904 0.881 12175027 C13NOESY
1050 8.199 24.871 0.881 1429472 C13NOESY
1051 1.698 24.579 0.868 2167693 C13NOESY
1052 1.663 25.066 0.877 12008588 C13NOESY
1053 0.871 25.120 0.876 789642112 C13NOESY
1054 4.820 27.344 1.607 2385304 C13NOESY
1055 0.990 27.440 1.608 4634425 C13NOESY
1056 8.200 27.381 1.596 1308204 C13NOESY
1057 5.037 59.529 5.042 8162072 C13NOESY
1058 1.390 59.551 5.044 1131300 C13NOESY
1059 0.795 59.597 5.026 2786814 C13NOESY
1060 9.328 59.599 5.034 3049806 C13NOESY
1061 8.205 34.469 1.399 1975451 C13NOESY
1062 5.019 34.487 1.390 1762429 C13NOESY
1063 1.394 34.467 1.398 14277436 C13NOESY
1064 0.773 34.466 1.399 5961118 C13NOESY
1065 8.207 22.237 0.786 1336887 C13NOESY
1066 5.018 22.217 0.792 5761272 C13NOESY
1067 1.391 22.217 0.790 7235724 C13NOESY
1068 9.329 22.194 0.794 2418923 C13NOESY
1069 6.797 22.205 0.791 4264791 C13NOESY
1070 4.776 22.529 0.716 1394875 C13NOESY
1071 8.203 22.529 0.712 2983244 C13NOESY
1072 5.023 22.556 0.714 5107912 C13NOESY
1073 1.398 22.552 0.715 7915008 C13NOESY
1074 9.337 22.530 0.718 1811230 C13NOESY
1075 5.135 22.577 0.717 2873322 C13NOESY
1076 2.192 22.483 0.716 2448669 C13NOESY
1077 1.646 22.581 0.712 5150676 C13NOESY
1078 1.060 22.560 0.712 6694268 C13NOESY
1079 0.713 22.514 0.717 184158512 C13NOESY
1080 5.363 53.539 5.365 12138571 C13NOESY
1081 1.326 53.531 5.372 2392748 C13NOESY
1082 1.856 53.580 5.365 1802763 C13NOESY
1083 1.573 53.499 5.368 1292908 C13NOESY
1084 0.841 53.561 5.366 7498240 C13NOESY
1085 9.254 53.555 5.365 4949534 C13NOESY
1086 5.365 44.191 1.347 1085406 C13NOESY
1087 5.368 44.235 1.863 1321210 C13NOESY
1088 1.330 44.262 1.331 1761415 C13NOESY
1089 1.327 44.224 1.865 4171301 C13NOESY
1090 1.859 44.255 1.331 5565896 C13NOESY
1091 1.578 44.196 1.334 1633164 C13NOESY
1092 0.843 44.262 1.330 5489968 C13NOESY
1093 0.841 44.263 1.863 4322992 C13NOESY
1094 9.335 27.211 1.579 1385594 C13NOESY
1095 5.362 27.294 1.579 1344188 C13NOESY
1096 1.334 27.245 1.580 2017589 C13NOESY
1097 0.847 27.458 1.591 16054078 C13NOESY
1098 0.990 23.748 0.846 2600870 C13NOESY
1099 5.366 23.766 0.849 7245289 C13NOESY
1100 5.459 23.783 0.849 4238634 C13NOESY
1101 2.963 23.759 0.849 2940238 C13NOESY
1102 1.331 23.770 0.850 8316897 C13NOESY
1103 1.849 23.779 0.849 3945740 C13NOESY
1104 1.571 23.785 0.846 11056376 C13NOESY
1105 0.843 23.783 0.847 225453120 C13NOESY
1106 9.249 23.768 0.852 2128636 C13NOESY
1107 1.704 23.774 0.847 5656024 C13NOESY
1108 9.255 57.184 5.030 1817641 C13NOESY
1109 5.022 57.137 5.027 20512176 C13NOESY
1110 2.799 57.113 5.028 2908346 C13NOESY
1111 3.181 57.166 5.029 2215336 C13NOESY
1112 7.313 57.145 5.024 2698487 C13NOESY
1113 8.072 57.152 5.027 1633262 C13NOESY
1114 0.947 57.142 5.027 3125479 C13NOESY
1115 5.013 31.486 2.806 1817440 C13NOESY
1116 2.795 31.455 2.796 2724316 C13NOESY
1117 3.182 31.415 2.800 3838322 C13NOESY
1118 7.206 31.405 2.786 1346065 C13NOESY
1119 0.947 31.424 2.789 1860158 C13NOESY
1120 4.291 55.140 4.302 13151509 C13NOESY
1121 1.534 55.185 4.295 3160510 C13NOESY
1122 1.311 55.149 4.297 3276882 C13NOESY
1123 1.189 55.098 4.299 1772469 C13NOESY
1124 1.010 55.130 4.297 2620036 C13NOESY
1125 8.205 55.178 4.282 1571481 C13NOESY
1126 4.658 55.141 4.297 4751354 C13NOESY
1127 1.070 55.077 4.298 1833902 C13NOESY
1128 9.554 55.208 4.301 1019078 C13NOESY
1129 0.812 55.108 4.296 2992614 C13NOESY
1130 4.285 32.655 1.519 2014640 C13NOESY
1131 4.289 32.662 1.322 2320996 C13NOESY
1132 1.311 32.662 1.315 7681012 C13NOESY
1133 1.193 32.651 1.521 3957504 C13NOESY
1134 1.193 32.654 1.316 4062539 C13NOESY
1135 1.008 32.670 1.515 2572912 C13NOESY
1136 1.013 32.637 1.313 2803873 C13NOESY
1137 2.861 32.641 1.524 1347601 C13NOESY
1138 0.781 32.620 1.520 1985028 C13NOESY
1139 1.523 32.646 1.316 11337673 C13NOESY
1140 0.804 32.663 1.315 1692820 C13NOESY
1141 1.545 32.676 1.517 6822175 C13NOESY
1142 1.312 32.644 1.522 12437886 C13NOESY
1143 4.309 29.416 1.563 1975309 C13NOESY
1144 1.290 29.379 1.562 5174890 C13NOESY
1145 1.201 29.340 1.565 13353459 C13NOESY
1146 1.011 29.384 1.561 9740177 C13NOESY
1147 2.866 29.388 1.561 14876123 C13NOESY
1148 0.804 29.395 1.561 3059807 C13NOESY
1149 1.100 29.380 1.562 2046237 C13NOESY
1150 1.556 29.374 1.561 287341664 C13NOESY
1151 4.297 24.429 1.193 2245749 C13NOESY
1152 4.307 24.549 1.010 2581604 C13NOESY
1153 1.187 24.448 1.015 13653241 C13NOESY
1154 1.017 24.444 1.195 15616881 C13NOESY
1155 2.860 24.440 1.012 1900462 C13NOESY
1156 8.197 24.795 1.005 3509162 C13NOESY
1157 3.302 24.375 1.007 1169762 C13NOESY
1158 0.814 24.468 1.197 1734872 C13NOESY
1159 1.215 24.662 1.220 152297200 C13NOESY
1160 1.559 24.642 1.220 22782342 C13NOESY
1161 1.311 24.465 1.018 4355942 C13NOESY
1162 7.001 56.572 3.215 1093452 C13NOESY
1163 3.225 56.574 3.219 4704574 C13NOESY
1164 4.100 56.609 3.217 2809396 C13NOESY
1165 3.485 56.623 3.220 2765513 C13NOESY
1166 3.860 56.583 3.222 5674264 C13NOESY
1167 7.000 63.476 3.476 970163 C13NOESY
1168 8.197 63.553 3.482 1182515 C13NOESY
1169 3.215 63.509 4.103 3755393 C13NOESY
1170 3.216 63.498 3.489 3592725 C13NOESY
1171 4.098 63.502 4.103 6713188 C13NOESY
1172 4.099 63.501 3.488 10526919 C13NOESY
1173 3.484 63.496 4.104 10795866 C13NOESY
1174 3.484 63.499 3.488 14001323 C13NOESY
1175 3.858 63.510 4.102 5460494 C13NOESY
1176 3.861 63.469 3.488 3913009 C13NOESY
1177 1.129 63.478 4.105 1501745 C13NOESY
1178 1.125 63.522 3.492 1913978 C13NOESY
1179 1.959 63.512 4.101 1321297 C13NOESY
1180 1.959 63.513 3.496 1131369 C13NOESY
1181 4.281 31.771 2.439 6371574 C13NOESY
1182 4.282 31.770 1.953 3798677 C13NOESY
1183 2.432 31.777 2.435 10560803 C13NOESY
1184 2.432 31.765 1.954 13439624 C13NOESY
1185 1.950 31.768 2.438 13889070 C13NOESY
1186 1.967 31.802 1.939 2197437 C13NOESY
1187 2.190 31.795 2.433 2690214 C13NOESY
1188 2.198 31.792 1.945 2481460 C13NOESY
1189 2.110 31.760 2.438 4935484 C13NOESY
1190 2.114 31.780 1.952 2151953 C13NOESY
1191 3.858 31.756 2.438 2597251 C13NOESY
1192 3.861 31.763 1.953 2692736 C13NOESY
1193 6.996 51.098 3.859 2016261 C13NOESY
1194 7.357 51.058 3.856 1418537 C13NOESY
1195 3.218 51.073 3.861 5345936 C13NOESY
1196 4.098 51.086 3.860 4287314 C13NOESY
1197 4.282 50.972 3.860 1297659 C13NOESY
1198 1.954 51.005 3.851 1788904 C13NOESY
1199 2.176 51.064 3.855 3856138 C13NOESY
1200 2.121 51.090 3.860 4028622 C13NOESY
1201 3.856 51.066 3.860 17817558 C13NOESY
1202 4.280 27.973 2.195 1596141 C13NOESY
1203 4.283 27.992 2.111 1951045 C13NOESY
1204 2.434 27.958 2.192 3275214 C13NOESY
1205 2.435 27.984 2.111 3498742 C13NOESY
1206 1.949 27.954 2.199 3373915 C13NOESY
1207 1.955 27.990 2.115 2704439 C13NOESY
1208 2.205 27.970 2.203 5684534 C13NOESY
1209 2.195 27.947 2.112 9642630 C13NOESY
1210 2.104 27.973 2.202 9022005 C13NOESY
1211 3.858 27.960 2.198 5360164 C13NOESY
1212 3.859 27.927 2.113 4236234 C13NOESY
1213 4.312 58.069 4.401 1202800 C13NOESY
1214 4.409 58.526 4.412 47352992 C13NOESY
1215 4.032 58.518 4.408 9848105 C13NOESY
1216 3.880 58.516 4.408 9153505 C13NOESY
1217 4.403 63.748 4.037 6767778 C13NOESY
1218 4.405 63.753 3.886 6963040 C13NOESY
1219 4.036 63.761 4.041 16791326 C13NOESY
1220 4.036 63.740 3.887 16911754 C13NOESY
1221 3.882 63.755 4.038 16070579 C13NOESY
1222 3.883 63.743 3.888 19113358 C13NOESY
1223 2.992 63.679 3.864 15193397 C13NOESY
1224 1.552 44.994 3.313 1860601 C13NOESY
1225 2.860 44.970 3.305 1454269 C13NOESY
1226 8.200 45.037 3.306 1645753 C13NOESY
1227 8.205 45.030 4.359 1547898 C13NOESY
1228 3.309 44.957 3.312 18079658 C13NOESY
1229 3.307 44.955 4.359 20097460 C13NOESY
1230 4.355 44.954 3.312 20275838 C13NOESY
1231 4.357 44.912 4.361 19558946 C13NOESY
1232 1.561 44.925 4.360 1566752 C13NOESY
1233 7.245 56.044 4.236 1272021 C13NOESY
1234 4.238 55.901 4.243 63112048 C13NOESY
1235 1.412 55.903 4.242 3300261 C13NOESY
1236 1.311 55.899 4.243 3205883 C13NOESY
1237 8.732 55.952 4.243 4062139 C13NOESY
1238 0.804 55.856 4.246 1355338 C13NOESY
1239 1.651 55.908 4.243 12011500 C13NOESY
1240 1.082 55.949 4.246 1426094 C13NOESY
1241 7.252 33.025 1.630 1033003 C13NOESY
1242 4.236 32.918 1.667 5209046 C13NOESY
1243 4.240 32.894 1.604 4766967 C13NOESY
1244 1.601 32.912 1.667 28542006 C13NOESY
1245 1.412 32.876 1.666 4515990 C13NOESY
1246 1.408 32.932 1.603 5201935 C13NOESY
1247 1.311 32.905 1.665 3798326 C13NOESY
1248 1.657 32.912 1.604 30406058 C13NOESY
1249 1.312 32.873 1.604 4066231 C13NOESY
1250 4.242 28.821 1.664 4462714 C13NOESY
1251 1.412 28.808 1.665 13184162 C13NOESY
1252 1.315 28.823 1.664 9409480 C13NOESY
1253 2.990 28.801 1.665 21116648 C13NOESY
1254 0.999 29.078 1.640 1774349 C13NOESY
1255 1.660 28.828 1.665 470374688 C13NOESY
1256 4.238 42.166 2.995 2370978 C13NOESY
1257 1.317 42.131 2.995 7176555 C13NOESY
1258 1.037 42.148 2.996 3320803 C13NOESY
1259 4.242 25.015 1.412 2932307 C13NOESY
1260 4.242 24.994 1.315 2719849 C13NOESY
1261 1.405 25.002 1.317 44697044 C13NOESY
1262 1.313 25.002 1.413 51748748 C13NOESY
1263 2.995 24.978 1.419 4102447 C13NOESY
1264 1.018 25.442 1.439 1669381 C13NOESY
1265 1.656 25.010 1.317 16209597 C13NOESY
1266 1.657 24.956 1.412 19776620 C13NOESY
1267 1.313 25.024 1.318 80401720 C13NOESY
1268 2.984 25.048 1.320 3441672 C13NOESY
1269 1.415 24.983 1.427 83005872 C13NOESY
1270 4.293 60.167 4.660 4936932 C13NOESY
1271 1.300 60.143 4.661 1153638 C13NOESY
1272 1.871 60.126 4.662 2848661 C13NOESY
1273 1.594 60.183 4.663 2393986 C13NOESY
1274 9.567 60.212 4.662 2911477 C13NOESY
1275 4.931 60.033 4.662 2567154 C13NOESY
1276 0.824 60.147 4.662 7314324 C13NOESY
1277 8.739 38.121 1.872 1111644 C13NOESY
1278 4.652 38.200 1.879 1540143 C13NOESY
1279 1.878 38.190 1.881 24795020 C13NOESY
1280 1.603 38.197 1.877 2887841 C13NOESY
1281 1.087 38.171 1.880 2869032 C13NOESY
1282 0.825 38.189 1.879 11049432 C13NOESY
1283 1.023 12.502 0.825 2969035 C13NOESY
1284 3.249 12.533 0.831 1139829 C13NOESY
1285 4.664 12.439 0.824 1924744 C13NOESY
1286 1.867 12.383 0.823 2089660 C13NOESY
1287 1.616 12.408 0.831 2794086 C13NOESY
1288 1.099 12.211 0.795 1653400 C13NOESY
1289 0.797 12.140 0.838 79541920 C13NOESY
1290 4.294 27.772 1.094 1749372 C13NOESY
1291 1.307 27.828 1.093 1123749 C13NOESY
1292 4.661 27.758 1.603 2169000 C13NOESY
1293 4.658 27.750 1.095 2233860 C13NOESY
1294 1.877 27.776 1.093 3691506 C13NOESY
1295 1.601 27.778 1.093 21251506 C13NOESY
1296 1.085 27.778 1.607 22651322 C13NOESY
1297 1.088 27.772 1.093 22305152 C13NOESY
1298 0.813 27.783 1.093 9171940 C13NOESY
1299 1.872 27.707 1.607 4752194 C13NOESY
1300 8.732 27.798 1.607 1278072 C13NOESY
1301 5.360 18.892 0.835 2277408 C13NOESY
1302 9.254 18.888 0.837 2082227 C13NOESY
1303 4.286 18.909 0.837 1945683 C13NOESY
1304 8.723 18.881 0.835 1196876 C13NOESY
1305 4.656 18.887 0.836 6124470 C13NOESY
1306 1.593 18.901 0.837 6397196 C13NOESY
1307 1.085 18.880 0.836 5588636 C13NOESY
1308 9.563 18.889 0.838 2357454 C13NOESY
1309 2.957 18.897 0.835 1553024 C13NOESY
1310 1.702 18.908 0.837 1672608 C13NOESY
1311 1.872 18.888 0.837 17719366 C13NOESY
1312 1.324 18.892 0.836 7346792 C13NOESY
1313 0.831 18.884 0.837 221301776 C13NOESY
1314 4.928 54.238 4.931 21091848 C13NOESY
1315 2.190 54.228 4.928 1463938 C13NOESY
1316 1.137 54.201 4.931 1130210 C13NOESY
1317 1.038 54.223 4.934 4170588 C13NOESY
1318 8.744 54.252 4.932 1419758 C13NOESY
1319 1.956 54.233 4.932 4308572 C13NOESY
1320 7.216 44.128 2.196 1157996 C13NOESY
1321 7.209 44.023 1.965 1413041 C13NOESY
1322 4.931 44.069 2.184 1274408 C13NOESY
1323 4.929 44.127 1.962 2012648 C13NOESY
1324 2.196 44.083 1.966 4127194 C13NOESY
1325 1.124 44.092 2.187 1513356 C13NOESY
1326 1.134 44.081 1.956 1602702 C13NOESY
1327 1.959 44.077 2.199 5761661 C13NOESY
1328 1.969 44.052 1.956 1625803 C13NOESY
1329 7.218 25.308 1.136 5485250 C13NOESY
1330 7.015 25.341 1.135 1860828 C13NOESY
1331 6.824 25.316 1.135 5492707 C13NOESY
1332 4.095 25.344 1.138 1649350 C13NOESY
1333 3.486 25.280 1.135 2869313 C13NOESY
1334 1.657 25.288 1.134 2199245 C13NOESY
1335 3.021 25.278 1.132 1091436 C13NOESY
1336 4.928 25.329 1.136 4039273 C13NOESY
1337 2.190 25.293 1.136 6949992 C13NOESY
1338 1.130 25.304 1.135 484046080 C13NOESY
1339 4.345 25.288 1.135 2523133 C13NOESY
1340 0.063 25.300 1.136 6034936 C13NOESY
1341 3.726 25.340 1.135 2847865 C13NOESY
1342 3.236 25.299 1.135 2575955 C13NOESY
1343 1.958 25.304 1.136 16523032 C13NOESY
1344 7.224 24.352 1.044 2020419 C13NOESY
1345 1.398 24.010 1.066 1664772 C13NOESY
1346 2.992 24.345 1.046 2476764 C13NOESY
1347 4.927 24.325 1.045 12045603 C13NOESY
1348 0.065 24.321 1.046 2838097 C13NOESY
1349 2.188 24.286 1.045 3189590 C13NOESY
1350 1.040 24.319 1.046 539966720 C13NOESY
1351 1.959 24.317 1.045 15513391 C13NOESY
1352 1.659 24.269 1.047 4126648 C13NOESY
1353 7.224 28.775 1.958 1320051 C13NOESY
1354 4.928 28.847 1.963 2628988 C13NOESY
1355 1.128 28.816 1.960 4334886 C13NOESY
1356 1.038 28.830 1.961 5303965 C13NOESY
1357 0.846 55.408 5.465 3894036 C13NOESY
1358 5.463 55.417 5.468 18022290 C13NOESY
1359 1.828 55.423 5.473 2536984 C13NOESY
1360 1.709 55.391 5.464 4035548 C13NOESY
1361 1.338 55.405 5.466 2676000 C13NOESY
1362 1.528 55.378 5.464 1696441 C13NOESY
1363 9.234 55.433 5.466 3436782 C13NOESY
1364 8.756 35.321 1.827 985562 C13NOESY
1365 5.471 35.386 1.821 2032858 C13NOESY
1366 5.459 35.336 1.715 1881607 C13NOESY
1367 1.816 35.373 1.725 10575684 C13NOESY
1368 1.332 35.353 1.827 1901907 C13NOESY
1369 1.333 35.354 1.725 1999030 C13NOESY
1370 1.516 35.301 1.726 1063625 C13NOESY
1371 1.714 35.362 1.827 13592876 C13NOESY
1372 0.983 29.651 1.708 3027659 C13NOESY
1373 1.331 29.637 1.710 7584286 C13NOESY
1374 0.853 29.664 1.710 6349446 C13NOESY
1375 1.824 41.844 2.957 3254424 C13NOESY
1376 1.334 41.830 2.961 6295064 C13NOESY
1377 1.515 41.882 2.957 6598090 C13NOESY
1378 2.953 41.864 2.962 411356928 C13NOESY
1379 1.489 42.201 2.907 3383546 C13NOESY
1380 1.719 42.206 2.910 10879672 C13NOESY
1381 1.707 41.870 2.959 21581140 C13NOESY
1382 2.913 41.763 2.918 512690848 C13NOESY
1383 5.469 25.243 1.341 1737547 C13NOESY
1384 5.479 25.224 1.513 1417430 C13NOESY
1385 1.828 25.247 1.340 2320665 C13NOESY
1386 1.333 25.269 1.517 9535403 C13NOESY
1387 1.353 25.113 1.530 7596490 C13NOESY
1388 1.513 25.283 1.340 10479647 C13NOESY
1389 0.838 25.321 1.338 2784722 C13NOESY
1390 0.821 25.287 1.518 1426930 C13NOESY
1391 1.695 25.215 1.335 10104792 C13NOESY
1392 1.706 25.331 1.507 14885951 C13NOESY
1393 1.806 25.002 1.517 7836870 C13NOESY
1394 4.332 43.750 1.925 4593496 C13NOESY
1395 1.921 43.758 4.335 5453596 C13NOESY
1396 1.959 43.925 1.916 1329381 C13NOESY
1397 4.850 43.739 4.336 2396072 C13NOESY
1398 4.846 43.771 1.916 1298940 C13NOESY
1399 7.140 44.005 1.953 1068571 C13NOESY
1400 1.008 54.676 5.158 1247566 C13NOESY
1401 8.203 54.607 5.141 1913673 C13NOESY
1402 1.220 54.638 5.144 3285961 C13NOESY
1403 5.146 54.611 5.151 27801412 C13NOESY
1404 1.559 54.593 5.148 7974649 C13NOESY
1405 8.716 54.643 5.143 4175553 C13NOESY
1406 8.027 36.663 1.560 1506495 C13NOESY
1407 5.140 36.632 1.563 6616482 C13NOESY
1408 1.560 36.641 1.564 84938728 C13NOESY
1409 1.221 36.643 1.565 10693920 C13NOESY
1410 8.712 36.647 1.564 1787356 C13NOESY
1411 0.977 36.662 1.563 2934922 C13NOESY
1412 2.916 29.300 1.638 7304861 C13NOESY
1413 1.216 29.307 1.637 7394005 C13NOESY
1414 1.574 29.300 1.637 81429968 C13NOESY
1415 4.524 41.750 2.920 1603016 C13NOESY
1416 3.613 41.776 2.916 2404919 C13NOESY
1417 0.980 41.774 2.919 4251360 C13NOESY
1418 0.843 41.834 2.961 10232890 C13NOESY
1419 5.136 41.802 2.917 1015612 C13NOESY
1420 1.216 41.748 2.918 9435057 C13NOESY
1421 1.572 41.759 2.918 17647544 C13NOESY
1422 4.524 24.679 1.221 1308196 C13NOESY
1423 3.607 24.682 1.222 1671461 C13NOESY
1424 4.810 24.722 1.226 961765 C13NOESY
1425 1.033 24.342 1.246 3149638 C13NOESY
1426 0.877 24.656 1.220 2539426 C13NOESY
1427 0.765 24.636 1.228 1405432 C13NOESY
1428 5.138 24.657 1.223 4891892 C13NOESY
1429 2.913 24.658 1.221 5049316 C13NOESY
1430 8.717 24.710 1.222 1907652 C13NOESY
1431 2.150 24.691 1.227 1086742 C13NOESY
1432 0.775 24.648 1.249 1876900 C13NOESY
1433 8.710 62.865 4.150 1286481 C13NOESY
1434 2.161 62.906 4.154 1178957 C13NOESY
1435 2.173 62.693 4.159 1214544 C13NOESY
1436 1.641 62.901 4.158 1843969 C13NOESY
1437 8.941 62.907 4.150 1218509 C13NOESY
1438 5.417 62.877 4.153 4971425 C13NOESY
1439 1.060 62.861 4.156 2944060 C13NOESY
1440 0.771 62.855 4.154 5615134 C13NOESY
1441 3.253 36.315 2.171 1423862 C13NOESY
1442 8.711 36.295 2.171 1628698 C13NOESY
1443 1.648 36.307 2.174 1166405 C13NOESY
1444 0.770 36.300 2.173 6508611 C13NOESY
1445 2.038 14.598 0.803 1398507 C13NOESY
1446 0.799 14.577 0.779 21490352 C13NOESY
1447 0.771 14.572 0.803 24186434 C13NOESY
1448 1.652 14.572 0.788 3209374 C13NOESY
1449 4.135 14.615 0.799 1089749 C13NOESY
1450 2.158 14.574 0.781 1956573 C13NOESY
1451 8.718 29.014 1.658 1383246 C13NOESY
1452 0.757 29.038 1.655 8466245 C13NOESY
1453 2.031 18.142 0.775 4492588 C13NOESY
1454 3.251 18.189 0.774 8141835 C13NOESY
1455 4.482 18.117 0.778 1468228 C13NOESY
1456 4.147 18.188 0.775 4472414 C13NOESY
1457 2.163 18.171 0.774 7540716 C13NOESY
1458 7.640 18.153 0.775 1031242 C13NOESY
1459 4.873 18.168 0.775 2311558 C13NOESY
1460 2.253 18.193 0.773 7334768 C13NOESY
1461 0.942 18.165 0.773 8114728 C13NOESY
1462 9.049 18.106 0.782 1065057 C13NOESY
1463 1.072 18.176 0.773 2870187 C13NOESY
1464 0.773 18.153 0.777 181477024 C13NOESY
1465 0.768 62.089 4.652 997182 C13NOESY
1466 4.644 61.999 4.647 42528336 C13NOESY
1467 2.292 62.002 4.647 9159208 C13NOESY
1468 0.975 62.000 4.647 10747140 C13NOESY
1469 0.890 62.005 4.646 8098280 C13NOESY
1470 4.645 34.113 2.299 7781196 C13NOESY
1471 2.303 34.225 2.306 45104244 C13NOESY
1472 0.974 34.119 2.298 11383386 C13NOESY
1473 0.886 34.127 2.297 10894297 C13NOESY
1474 1.655 34.020 2.309 996744 C13NOESY
1475 1.219 22.229 0.978 2712020 C13NOESY
1476 0.765 22.216 0.979 2936405 C13NOESY
1477 8.932 22.225 0.980 1236892 C13NOESY
1478 4.646 22.124 0.981 13677713 C13NOESY
1479 2.292 22.117 0.980 17548540 C13NOESY
1480 8.704 22.151 0.980 1219213 C13NOESY
1481 3.219 22.211 0.980 2398147 C13NOESY
1482 1.565 22.195 0.979 5406420 C13NOESY
1483 4.142 18.795 0.891 1616522 C13NOESY
1484 8.938 18.805 0.891 2784072 C13NOESY
1485 4.648 18.814 0.891 4382868 C13NOESY
1486 2.291 18.810 0.892 14339997 C13NOESY
1487 0.887 18.809 0.892 219972624 C13NOESY
1488 7.640 18.776 0.891 1870690 C13NOESY
1489 1.999 18.788 0.893 1397964 C13NOESY
1490 1.677 18.812 0.892 6020808 C13NOESY
1491 1.875 18.820 0.890 4458813 C13NOESY
1492 5.174 18.793 0.889 1412520 C13NOESY
1493 1.524 18.831 0.894 3182526 C13NOESY
1494 3.022 18.765 0.893 1778088 C13NOESY
1495 5.418 18.797 0.891 3185210 C13NOESY
1496 8.698 18.787 0.892 1022287 C13NOESY
1497 3.241 18.801 0.892 2231714 C13NOESY
1498 0.903 55.519 4.673 8388989 C13NOESY
1499 1.083 55.500 4.671 1419670 C13NOESY
1500 1.595 55.555 4.676 1808230 C13NOESY
1501 7.645 55.586 4.672 1004821 C13NOESY
1502 2.002 55.541 4.674 4067096 C13NOESY
1503 1.685 55.515 4.672 2903230 C13NOESY
1504 3.263 55.569 4.674 1687013 C13NOESY
1505 8.633 55.583 4.675 2778064 C13NOESY
1506 1.013 55.542 4.671 1432392 C13NOESY
1507 1.872 55.527 4.672 6515010 C13NOESY
1508 4.669 34.901 2.008 2789112 C13NOESY
1509 4.668 34.834 1.877 3108691 C13NOESY
1510 2.002 34.825 1.875 10843554 C13NOESY
1511 1.681 34.850 1.877 3920934 C13NOESY
1512 3.266 34.859 2.014 2843611 C13NOESY
1513 3.264 34.893 1.876 3421440 C13NOESY
1514 1.992 34.569 1.996 25818098 C13NOESY
1515 1.685 34.890 2.010 3301314 C13NOESY
1516 1.880 34.909 1.879 9799494 C13NOESY
1517 0.897 43.620 3.263 3801411 C13NOESY
1518 4.665 43.722 3.267 3225750 C13NOESY
1519 2.003 43.678 3.266 6388982 C13NOESY
1520 1.684 43.663 3.264 10514010 C13NOESY
1521 3.262 43.681 3.266 238655312 C13NOESY
1522 3.064 43.454 3.278 3065469 C13NOESY
1523 2.981 43.519 3.258 3028238 C13NOESY
1524 1.873 43.691 3.267 15794435 C13NOESY
1525 2.274 27.244 1.706 1323148 C13NOESY
1526 4.663 27.126 1.690 2522364 C13NOESY
1527 4.668 27.065 1.882 2089613 C13NOESY
1528 1.981 27.144 1.693 4159546 C13NOESY
1529 2.005 27.076 1.885 4799660 C13NOESY
1530 1.686 27.048 1.880 13311226 C13NOESY
1531 3.256 27.099 1.693 4797206 C13NOESY
1532 3.265 27.070 1.879 4745615 C13NOESY
1533 0.934 27.341 1.711 5452394 C13NOESY
1534 1.878 27.077 1.883 22034800 C13NOESY
1535 1.875 27.100 1.692 21418668 C13NOESY
1536 1.374 62.938 4.417 1167625 C13NOESY
1537 4.671 62.928 4.416 1095255 C13NOESY
1538 4.408 62.927 4.426 6069194 C13NOESY
1539 2.281 62.950 4.415 5538357 C13NOESY
1540 8.398 62.936 4.409 1431844 C13NOESY
1541 4.869 62.944 4.414 6187958 C13NOESY
1542 0.981 62.943 4.414 7560078 C13NOESY
1543 1.701 32.196 2.285 1726058 C13NOESY
1544 1.365 32.084 2.298 1378968 C13NOESY
1545 4.411 32.123 2.291 4102848 C13NOESY
1546 2.291 32.086 2.294 17864160 C13NOESY
1547 1.015 32.124 2.293 7822988 C13NOESY
1548 0.940 32.115 2.290 7937928 C13NOESY
1549 8.413 32.199 2.298 1029565 C13NOESY
1550 4.854 32.057 2.295 1494738 C13NOESY
1551 4.221 22.573 1.024 3353195 C13NOESY
1552 1.703 22.541 1.027 3343689 C13NOESY
1553 1.367 22.556 1.023 11115251 C13NOESY
1554 8.283 22.503 1.022 1084303 C13NOESY
1555 3.870 22.558 1.024 8807582 C13NOESY
1556 3.992 22.551 1.024 5120902 C13NOESY
1557 1.858 22.516 1.025 1631264 C13NOESY
1558 8.637 22.552 1.022 2130165 C13NOESY
1559 4.411 22.544 1.023 7525640 C13NOESY
1560 2.286 22.545 1.024 13307598 C13NOESY
1561 1.019 22.555 1.024 223620544 C13NOESY
1562 8.406 22.565 1.023 1187923 C13NOESY
1563 4.857 22.544 1.024 3069287 C13NOESY
1564 4.219 19.255 0.942 1561076 C13NOESY
1565 1.864 19.247 0.941 2269706 C13NOESY
1566 3.180 19.279 0.944 2963075 C13NOESY
1567 1.704 19.280 0.942 7060768 C13NOESY
1568 1.365 19.308 0.941 2420728 C13NOESY
1569 3.872 19.281 0.942 3297662 C13NOESY
1570 8.633 19.254 0.943 2809857 C13NOESY
1571 4.408 19.268 0.941 3273548 C13NOESY
1572 2.286 19.277 0.941 13651200 C13NOESY
1573 4.855 19.274 0.942 1733133 C13NOESY
1574 0.936 19.271 0.941 296615360 C13NOESY
1575 0.904 55.663 4.808 1291826 C13NOESY
1576 4.784 55.847 4.780 13382583 C13NOESY
1577 2.721 55.594 4.790 1382276 C13NOESY
1578 2.716 55.782 4.780 1434753 C13NOESY
1579 4.789 34.049 2.734 1341820 C13NOESY
1580 4.793 34.008 2.398 1290651 C13NOESY
1581 2.720 34.026 2.408 3501091 C13NOESY
1582 2.403 34.048 2.728 3498336 C13NOESY
1583 1.525 34.104 2.729 2371763 C13NOESY
1584 1.525 34.061 2.415 2047697 C13NOESY
1585 2.388 34.215 2.392 201568384 C13NOESY
1586 4.833 44.988 4.029 1071382 C13NOESY
1587 4.834 45.089 3.754 1385737 C13NOESY
1588 4.015 44.946 4.032 3076390 C13NOESY
1589 4.044 44.975 4.017 2797614 C13NOESY
1590 4.014 44.950 3.769 7974175 C13NOESY
1591 3.765 44.941 4.015 8882313 C13NOESY
1592 1.135 44.959 4.011 1123928 C13NOESY
1593 1.127 45.016 3.764 1347171 C13NOESY
1594 4.234 61.850 4.536 1005384 C13NOESY
1595 1.914 61.739 4.532 2851608 C13NOESY
1596 1.834 61.744 4.535 4526110 C13NOESY
1597 3.176 61.753 4.534 2163339 C13NOESY
1598 1.707 61.733 4.533 3830016 C13NOESY
1599 0.899 61.563 4.535 2168888 C13NOESY
1600 4.533 61.729 4.529 16727087 C13NOESY
1601 4.637 61.738 4.534 8485376 C13NOESY
1602 1.130 61.734 4.534 8589997 C13NOESY
1603 1.701 69.633 4.639 1003425 C13NOESY
1604 4.541 69.478 4.648 6325774 C13NOESY
1605 4.642 69.482 4.645 21046966 C13NOESY
1606 1.129 69.486 4.646 9193291 C13NOESY
1607 1.920 21.727 1.128 1042795 C13NOESY
1608 1.832 21.702 1.135 2351908 C13NOESY
1609 3.180 21.688 1.136 5770860 C13NOESY
1610 1.705 21.704 1.136 2887432 C13NOESY
1611 0.918 21.526 1.106 3726612 C13NOESY
1612 4.844 21.730 1.135 2724003 C13NOESY
1613 3.777 21.737 1.137 1257328 C13NOESY
1614 4.536 21.724 1.135 13057438 C13NOESY
1615 4.641 21.705 1.135 19964760 C13NOESY
1616 1.129 21.707 1.135 361744352 C13NOESY
1617 4.879 55.206 4.592 2215496 C13NOESY
1618 4.586 55.186 4.598 20492556 C13NOESY
1619 2.170 55.194 4.589 4602716 C13NOESY
1620 1.680 55.199 4.589 6982202 C13NOESY
1621 1.532 55.228 4.587 3029702 C13NOESY
1622 1.391 55.197 4.589 4463068 C13NOESY
1623 4.582 32.443 2.177 3367862 C13NOESY
1624 4.582 32.443 1.665 2917390 C13NOESY
1625 2.173 32.443 1.665 10568489 C13NOESY
1626 1.534 32.443 2.178 3043612 C13NOESY
1627 1.390 32.443 2.181 2797047 C13NOESY
1628 1.739 32.735 1.683 5476778 C13NOESY
1629 1.668 32.443 2.176 11834947 C13NOESY
1630 4.587 28.693 1.705 3814240 C13NOESY
1631 2.168 28.664 1.707 2498373 C13NOESY
1632 1.392 28.698 1.709 6460984 C13NOESY
1633 1.539 28.677 1.706 8640864 C13NOESY
1634 4.588 24.792 1.394 3777527 C13NOESY
1635 2.176 24.823 1.540 4090946 C13NOESY
1636 2.168 24.786 1.395 3492910 C13NOESY
1637 1.536 24.805 1.394 17012452 C13NOESY
1638 1.708 24.862 1.539 11711729 C13NOESY
1639 0.970 44.870 4.510 2050563 C13NOESY
1640 0.977 44.868 3.139 2596217 C13NOESY
1641 5.411 44.909 4.516 1294563 C13NOESY
1642 1.364 44.871 4.505 3376928 C13NOESY
1643 1.366 44.875 3.143 3349862 C13NOESY
1644 4.506 44.864 3.144 7872314 C13NOESY
1645 3.143 44.889 4.505 8414035 C13NOESY
1646 3.169 44.850 3.112 1899445 C13NOESY
1647 5.100 52.180 4.924 1781859 C13NOESY
1648 4.346 52.247 4.919 1727334 C13NOESY
1649 3.913 52.117 4.925 1048670 C13NOESY
1650 4.917 52.163 4.923 7814722 C13NOESY
1651 1.512 52.175 4.924 3904531 C13NOESY
1652 8.950 52.168 4.926 963710 C13NOESY
1653 0.801 18.681 1.520 3972076 SEE_NOTE
1654 0.477 18.707 1.521 7276995 C13NOESY
1655 5.099 18.755 1.522 1869614 C13NOESY
1656 4.392 18.698 1.522 1449505 C13NOESY
1657 2.719 18.704 1.522 3695191 C13NOESY
1658 2.409 18.704 1.519 1902227 C13NOESY
1659 7.686 18.771 1.524 2153698 C13NOESY
1660 4.916 18.703 1.520 8419620 C13NOESY
1661 8.951 18.669 1.523 2050019 C13NOESY
1662 0.959 18.753 1.511 1003792 C13NOESY
1663 1.386 18.628 1.489 2434595 C13NOESY
1664 1.515 18.709 1.521 124865424 C13NOESY
1665 4.755 59.128 4.923 1193663 C13NOESY
1666 0.757 36.263 2.256 5504072 C13NOESY
1667 4.419 36.314 2.252 1082429 C13NOESY
1668 4.872 36.253 2.262 2715762 C13NOESY
1669 0.971 36.243 2.260 4244436 C13NOESY
1670 1.368 23.308 0.977 10108343 C13NOESY
1671 4.411 23.309 0.978 6219806 C13NOESY
1672 4.871 23.302 0.978 7819092 C13NOESY
1673 2.256 23.284 0.977 8560498 C13NOESY
1674 0.709 23.256 0.977 15344276 C13NOESY
1675 2.024 23.312 0.980 2221976 C13NOESY
1676 0.778 23.224 1.006 16034793 C13NOESY
1677 0.945 23.006 0.952 111207568 C13NOESY
1678 9.042 18.025 0.703 1669330 C13NOESY
1679 1.424 17.994 0.702 7749420 C13NOESY
1680 0.509 18.084 0.706 4241906 C13NOESY
1681 5.118 18.070 0.704 989402 C13NOESY
1682 4.400 18.018 0.703 1759470 C13NOESY
1683 2.027 18.009 0.702 1770990 C13NOESY
1684 0.892 17.824 0.710 5318515 C13NOESY
1685 1.636 17.953 0.697 1958966 C13NOESY
1686 8.954 17.989 0.701 1768107 C13NOESY
1687 4.871 18.005 0.703 3281851 C13NOESY
1688 2.256 17.994 0.702 6488470 C13NOESY
1689 0.970 17.997 0.703 12348951 C13NOESY
1690 0.697 17.992 0.702 106780728 C13NOESY
1691 0.134 54.498 5.186 1775729 C13NOESY
1692 1.312 54.577 5.176 1837944 C13NOESY
1693 9.569 54.573 5.169 1247371 C13NOESY
1694 4.779 54.577 5.148 4382377 C13NOESY
1695 0.771 54.691 5.163 3154714 C13NOESY
1696 5.182 32.681 1.638 1063715 C13NOESY
1697 1.638 32.670 1.534 2188636 C13NOESY
1698 3.008 32.443 1.632 1542551 C13NOESY
1699 0.887 44.334 3.024 1065048 C13NOESY
1700 0.779 44.437 3.009 1700627 C13NOESY
1701 3.255 44.408 3.083 1151096 C13NOESY
1702 3.253 44.452 3.015 1364724 C13NOESY
1703 1.624 44.436 3.017 1635117 C13NOESY
1704 1.312 44.506 3.015 1226739 C13NOESY
1705 1.522 44.452 3.009 2724530 C13NOESY
1706 5.182 28.396 1.320 1300823 C13NOESY
1707 5.178 28.524 1.310 1165454 C13NOESY
1708 1.658 28.805 1.318 5084334 C13NOESY
1709 1.639 28.392 1.532 1737456 C13NOESY
1710 3.063 28.597 1.310 1474446 C13NOESY
1711 3.026 28.377 1.513 1048476 C13NOESY
1712 3.027 28.481 1.539 993704 C13NOESY
1713 1.307 28.530 1.533 2645611 C13NOESY
1714 1.527 28.540 1.310 4643405 C13NOESY
1715 4.152 49.720 5.417 5397050 C13NOESY
1716 0.768 49.731 5.419 2912955 C13NOESY
1717 8.927 49.736 5.414 1144823 C13NOESY
1718 0.982 49.663 5.419 1494086 C13NOESY
1719 0.887 49.731 5.416 2387327 C13NOESY
1720 5.417 49.724 5.419 14582105 C13NOESY
1721 1.060 49.727 5.421 6085701 C13NOESY
1722 8.706 49.784 5.417 1873494 C13NOESY
1723 1.859 24.009 1.065 2213056 C13NOESY
1724 4.147 23.970 1.064 3615089 C13NOESY
1725 5.417 23.972 1.064 7744338 C13NOESY
1726 8.707 23.950 1.068 1654163 C13NOESY
1727 1.538 24.041 1.063 1144973 C13NOESY
1728 7.051 23.945 1.065 3426860 C13NOESY
1729 0.747 23.967 1.065 17348388 C13NOESY
1730 5.150 23.954 1.061 1432439 C13NOESY
1731 9.560 24.106 1.052 1343499 C13NOESY
1732 9.435 54.991 5.167 1446252 C13NOESY
1733 1.669 54.919 5.170 4282341 C13NOESY
1734 0.895 33.614 1.737 2172012 C13NOESY
1735 0.913 33.616 1.698 -9099 C13NOESY
1736 5.162 33.568 1.747 1896559 C13NOESY
1737 5.177 33.593 1.689 1646817 C13NOESY
1738 1.773 33.574 1.681 3018503 C13NOESY
1739 1.486 33.561 1.750 1869995 C13NOESY
1740 3.215 33.588 1.743 2143380 C13NOESY
1741 3.210 33.572 1.693 1684431 C13NOESY
1742 1.654 33.562 1.757 4467050 C13NOESY
1743 5.181 43.557 3.244 1234278 C13NOESY
1744 1.496 43.495 3.202 6109838 C13NOESY
1745 0.923 43.587 3.200 4680616 C13NOESY
1746 1.708 43.597 3.199 15175157 C13NOESY
1747 5.089 28.149 1.627 987188 C13NOESY
1748 5.161 27.770 1.513 1904400 C13NOESY
1749 1.498 27.840 1.628 7536512 C13NOESY
1750 1.634 27.849 1.501 9518880 C13NOESY
1751 3.211 27.811 1.500 4115549 C13NOESY
1752 3.223 27.865 1.627 3119750 C13NOESY
1753 5.167 27.811 1.624 1787843 C13NOESY
1754 1.745 28.083 1.646 3386389 C13NOESY
1755 1.616 28.014 1.649 8000550 C13NOESY
1756 4.206 57.498 4.806 7145539 C13NOESY
1757 4.845 41.853 2.959 3571657 C13NOESY
1758 4.845 42.059 2.997 3571384 C13NOESY
1759 3.271 41.778 2.977 3136368 C13NOESY
1760 2.978 41.732 3.274 3322398 C13NOESY
1761 3.010 41.689 3.248 1947166 C13NOESY
1762 8.102 42.261 2.994 1057951 C13NOESY
1763 4.838 58.591 4.251 1035997 C13NOESY
1764 4.247 58.536 4.250 40888940 C13NOESY
1765 2.205 58.508 4.249 10918564 C13NOESY
1766 2.436 58.505 4.251 4803399 C13NOESY
1767 4.245 30.278 2.212 6801276 C13NOESY
1768 2.206 30.296 2.212 61198236 C13NOESY
1769 2.434 30.301 2.210 16578949 C13NOESY
1770 1.493 30.250 2.217 1360990 C13NOESY
1771 1.503 36.515 2.441 2728339 C13NOESY
1772 4.856 36.514 2.438 1060692 C13NOESY
1773 4.246 36.526 2.441 5622233 C13NOESY
1774 2.208 36.524 2.440 28823444 C13NOESY
1775 8.136 54.812 4.515 2943056 C13NOESY
1776 1.989 54.776 4.516 7237025 C13NOESY
1777 1.505 54.783 4.513 5141028 C13NOESY
1778 3.076 54.938 4.472 1421830 C13NOESY
1779 1.815 54.786 4.516 6369915 C13NOESY
1780 4.509 54.780 4.512 56080900 C13NOESY
1781 4.506 34.498 1.994 4296096 C13NOESY
1782 4.504 34.525 1.839 3329992 C13NOESY
1783 1.991 34.531 1.837 18925444 C13NOESY
1784 1.829 34.544 1.837 15572885 C13NOESY
1785 3.051 34.537 1.827 1173503 C13NOESY
1786 1.834 34.564 1.995 21518016 C13NOESY
1787 1.505 34.553 1.995 5089044 C13NOESY
1788 1.518 34.534 1.837 3363546 C13NOESY
1789 4.510 29.141 1.777 2258240 C13NOESY
1790 1.998 29.136 1.794 2221785 C13NOESY
1791 1.769 29.117 1.776 173859808 C13NOESY
1792 1.512 29.122 1.777 10439297 C13NOESY
1793 3.052 29.119 1.788 8089952 C13NOESY
1794 3.015 28.674 1.720 7841174 C13NOESY
1795 4.520 42.220 3.059 1197960 C13NOESY
1796 1.988 42.201 3.060 1517612 C13NOESY
1797 1.768 42.172 3.055 21522546 C13NOESY
1798 1.508 42.182 3.054 10610603 C13NOESY
1799 3.051 42.177 3.055 809604608 C13NOESY
1800 4.515 24.941 1.499 2733594 C13NOESY
1801 4.523 24.888 1.526 3082500 C13NOESY
1802 1.985 24.934 1.497 3938273 C13NOESY
1803 1.985 24.907 1.524 4470876 C13NOESY
1804 3.043 24.906 1.527 4046600 C13NOESY
1805 8.144 45.261 3.735 1445203 C13NOESY
1806 7.947 45.232 3.732 1026378 C13NOESY
1807 3.729 45.212 3.733 21345616 C13NOESY
1808 1.026 52.362 4.353 1701899 C13NOESY
1809 4.346 52.446 4.349 17239910 C13NOESY
1810 0.778 52.372 4.346 2235620 C13NOESY
1811 0.061 52.370 4.353 3683570 C13NOESY
1812 3.734 52.367 4.350 4616640 C13NOESY
1813 3.246 52.367 4.349 3015387 C13NOESY
1814 1.117 52.368 4.348 2285096 C13NOESY
1815 4.336 41.543 0.774 1025666 C13NOESY
1816 1.144 41.492 1.100 1173360 C13NOESY
1817 1.116 41.438 0.782 2855514 C13NOESY
1818 0.781 41.472 1.118 2324806 C13NOESY
1819 0.735 41.714 0.747 5407957 C13NOESY
1820 -0.086 41.452 1.111 1195016 C13NOESY
1821 -0.087 41.475 0.778 1490722 C13NOESY
1822 0.052 41.617 1.107 987114 C13NOESY
1823 3.237 24.613 -0.079 1238747 C13NOESY
1824 4.339 24.631 -0.079 1104348 C13NOESY
1825 1.111 24.590 -0.081 3173680 C13NOESY
1826 0.763 24.587 -0.084 2643688 C13NOESY
1827 -0.088 24.586 -0.082 85551488 C13NOESY
1828 0.058 24.591 -0.082 6385645 C13NOESY
1829 1.008 24.563 -0.080 3055966 C13NOESY
1830 2.193 23.415 0.073 1812321 C13NOESY
1831 1.959 23.387 0.071 1828608 C13NOESY
1832 2.986 23.448 0.073 1277052 C13NOESY
1833 4.346 23.394 0.071 4678190 C13NOESY
1834 0.776 23.420 0.074 3589876 C13NOESY
1835 -0.079 23.389 0.071 8151116 C13NOESY
1836 0.065 23.391 0.071 148309488 C13NOESY
1837 1.012 23.404 0.070 5661247 C13NOESY
1838 3.242 23.392 0.069 2175507 C13NOESY
1839 3.739 23.420 0.073 1484965 C13NOESY
1840 1.124 23.397 0.071 5534437 C13NOESY
1841 1.124 27.118 0.998 2028104 C13NOESY
1842 0.063 27.131 1.001 2554630 C13NOESY
1843 4.507 62.510 4.515 21510328 C13NOESY
1844 1.914 62.542 4.506 1554842 C13NOESY
1845 2.111 62.510 4.518 7703543 C13NOESY
1846 4.515 32.035 2.109 2784653 C13NOESY
1847 3.747 32.100 2.134 996659 C13NOESY
1848 4.349 50.272 3.738 4142733 C13NOESY
1849 4.343 50.266 3.248 2720046 C13NOESY
1850 0.067 50.313 3.256 1137061 C13NOESY
1851 3.732 50.275 3.740 5696644 C13NOESY
1852 3.739 50.264 3.256 4574272 C13NOESY
1853 3.252 50.277 3.738 5335328 C13NOESY
1854 2.157 50.267 3.741 2714640 C13NOESY
1855 1.902 50.264 3.732 1529875 C13NOESY
1856 1.926 50.258 3.253 1081041 C13NOESY
1857 2.147 50.235 3.244 1419502 C13NOESY
1858 3.740 27.484 2.170 1788174 C13NOESY
1859 3.737 27.471 1.914 1744297 C13NOESY
1860 3.235 27.433 2.168 1368406 C13NOESY
1861 3.254 27.403 2.190 965283 C13NOESY
1862 3.252 27.370 1.919 1698656 C13NOESY
1863 1.915 27.447 2.171 5371950 C13NOESY
1864 2.156 27.454 1.918 7158241 C13NOESY
1865 3.909 46.314 3.919 9549209 C13NOESY
1866 3.914 46.314 3.845 10492612 C13NOESY
1867 3.854 46.307 3.923 10077426 C13NOESY
1868 2.114 56.974 4.245 6434638 C13NOESY
1869 2.384 56.986 4.245 5405719 C13NOESY
1870 7.905 57.009 4.247 1184151 C13NOESY
1871 7.356 57.005 4.248 1389797 C13NOESY
1872 4.243 28.855 2.063 3574773 C13NOESY
1873 2.135 28.823 2.065 18981318 C13NOESY
1874 2.394 28.831 2.140 6044728 C13NOESY
1875 2.385 28.798 2.062 5321034 C13NOESY
1876 1.664 28.851 2.075 1090478 C13NOESY
1877 4.237 28.838 2.141 3741567 C13NOESY
1878 4.242 34.218 2.392 6558804 C13NOESY
1879 2.122 34.219 2.391 11222381 C13NOESY
1880 7.355 34.292 2.395 1144884 C13NOESY
1881 4.197 52.437 4.251 3067463 C13NOESY
1882 4.259 52.442 4.222 3994998 C13NOESY
1883 0.506 52.450 4.233 3488793 C13NOESY
1884 7.345 52.448 4.230 1503334 C13NOESY
1885 4.237 19.150 0.514 2055500 C13NOESY
1886 0.501 19.128 0.530 10764102 C13NOESY
1887 0.510 19.143 0.506 13707222 C13NOESY
1888 7.343 19.062 0.507 999695 C13NOESY
1889 2.283 57.031 3.553 2063549 C13NOESY
1890 0.752 57.146 3.558 1239073 C13NOESY
1891 3.539 57.046 3.543 13161356 C13NOESY
1892 3.551 57.057 3.582 6650438 C13NOESY
1893 1.676 57.059 3.548 2897753 C13NOESY
1894 1.362 57.050 3.551 3230547 C13NOESY
1895 0.864 57.009 3.548 3027426 C13NOESY
1896 1.520 57.072 3.548 1935154 C13NOESY
1897 0.538 57.048 3.550 6646088 C13NOESY
1898 7.359 41.144 1.684 1091745 C13NOESY
1899 3.546 41.062 1.684 2372048 C13NOESY
1900 3.553 41.027 1.365 2125267 C13NOESY
1901 1.674 41.039 1.370 8161314 C13NOESY
1902 1.367 41.032 1.682 8853237 C13NOESY
1903 1.361 41.009 1.350 4533130 C13NOESY
1904 0.863 41.010 1.681 3904005 C13NOESY
1905 0.864 41.015 1.369 2575726 C13NOESY
1906 0.551 41.019 1.682 2321498 C13NOESY
1907 0.549 41.058 1.367 2204909 C13NOESY
1908 1.513 41.009 1.678 3086120 C13NOESY
1909 1.519 41.033 1.370 2214158 C13NOESY
1910 4.354 25.170 0.873 4897314 C13NOESY
1911 6.944 25.190 0.868 1033170 C13NOESY
1912 3.551 25.129 0.873 5037617 C13NOESY
1913 1.376 25.130 0.873 4602593 C13NOESY
1914 0.552 25.129 0.871 15810161 C13NOESY
1915 4.342 23.764 0.559 3278862 C13NOESY
1916 3.547 23.757 0.560 3826495 C13NOESY
1917 1.678 23.758 0.562 2374664 C13NOESY
1918 1.368 23.756 0.559 2731221 C13NOESY
1919 0.866 23.746 0.560 10179497 C13NOESY
1920 0.554 23.760 0.560 118804720 C13NOESY
1921 1.512 23.765 0.560 5285330 C13NOESY
1922 7.358 26.945 1.523 1214632 C13NOESY
1923 3.559 26.924 1.525 1444496 C13NOESY
1924 1.675 26.868 1.524 3815123 C13NOESY
1925 1.379 26.949 1.521 3777959 C13NOESY
1926 0.556 26.927 1.523 4778148 C13NOESY
1927 0.862 27.024 1.516 4925658 C13NOESY
1928 0.763 45.471 3.465 2493671 C13NOESY
1929 3.555 45.455 3.511 1387161 C13NOESY
1930 3.458 45.494 3.463 7105946 C13NOESY
1931 3.462 45.492 4.169 9065164 C13NOESY
1932 4.161 45.499 3.464 8274638 C13NOESY
1933 4.159 45.499 4.153 5769296 C13NOESY
1934 3.774 53.269 4.719 1338713 C13NOESY
1935 2.975 53.448 4.709 5948993 C13NOESY
1936 8.652 53.494 4.709 2203315 C13NOESY
1937 2.279 42.235 2.970 1020531 C13NOESY
1938 0.730 42.173 2.974 1630330 C13NOESY
1939 7.325 42.170 2.950 1192752 C13NOESY
1940 8.096 42.260 2.974 1115885 C13NOESY
1941 4.709 42.241 2.971 4190374 C13NOESY
1942 4.708 42.215 2.993 3965157 C13NOESY
1943 4.936 57.329 5.744 4447244 C13NOESY
1944 0.774 57.344 5.744 2109009 C13NOESY
1945 8.663 57.395 5.749 1060050 C13NOESY
1946 5.740 57.321 5.743 20121072 C13NOESY
1947 3.144 57.336 5.742 3482328 C13NOESY
1948 2.977 57.321 5.741 3559054 C13NOESY
1949 7.277 57.340 5.742 2480641 C13NOESY
1950 8.750 57.356 5.740 2297514 C13NOESY
1951 5.741 40.579 3.155 2226977 C13NOESY
1952 5.742 40.627 2.973 1896403 C13NOESY
1953 3.143 40.576 2.981 9424098 C13NOESY
1954 2.971 40.583 3.151 7920587 C13NOESY
1955 3.016 40.462 2.946 2027753 C13NOESY
1956 7.278 40.634 3.146 1339200 C13NOESY
1957 7.279 40.622 3.165 1323510 C13NOESY
1958 7.274 40.556 2.981 1604928 C13NOESY
1959 5.001 58.867 5.004 33030000 C13NOESY
1960 2.197 58.874 5.004 6257294 C13NOESY
1961 0.945 58.882 5.006 7257135 C13NOESY
1962 0.518 58.869 5.003 3072584 C13NOESY
1963 8.377 58.911 5.006 1466301 C13NOESY
1964 5.003 35.440 2.201 4029090 C13NOESY
1965 2.210 35.401 2.207 2937943 C13NOESY
1966 0.944 35.427 2.205 4172928 C13NOESY
1967 0.521 35.446 2.206 4103163 C13NOESY
1968 8.394 35.490 2.211 1033740 C13NOESY
1969 2.791 22.970 0.950 4134652 C13NOESY
1970 7.321 22.984 0.950 6374656 C13NOESY
1971 3.181 22.959 0.949 2460795 C13NOESY
1972 5.008 22.984 0.950 13399665 C13NOESY
1973 2.201 22.965 0.951 8447193 C13NOESY
1974 0.519 22.986 0.950 16513134 C13NOESY
1975 2.985 22.911 0.950 1446808 C13NOESY
1976 3.123 18.291 0.524 2033002 C13NOESY
1977 2.197 18.243 0.524 7098188 C13NOESY
1978 0.943 18.241 0.524 11974959 C13NOESY
1979 0.515 18.253 0.524 116697800 C13NOESY
1980 5.149 18.232 0.523 2242560 C13NOESY
1981 5.012 18.261 0.522 3654330 C13NOESY
1982 1.493 55.136 5.113 1181916 C13NOESY
1983 1.954 55.210 5.133 2518616 C13NOESY
1984 1.839 55.184 5.130 4099922 C13NOESY
1985 2.359 55.242 5.134 1405261 C13NOESY
1986 2.084 55.191 5.139 2484219 C13NOESY
1987 9.365 55.229 5.132 3258424 C13NOESY
1988 0.871 55.217 5.124 1215409 C13NOESY
1989 5.003 55.139 5.125 1128762 C13NOESY
1990 2.731 33.454 1.874 1955636 C13NOESY
1991 1.333 33.646 1.961 1178851 C13NOESY
1992 5.133 33.598 1.954 2603137 C13NOESY
1993 5.146 33.603 1.850 2466784 C13NOESY
1994 1.946 33.554 1.851 7003512 C13NOESY
1995 1.846 33.565 1.953 8608022 C13NOESY
1996 2.367 33.615 1.955 2515446 C13NOESY
1997 2.370 33.647 1.848 1925141 C13NOESY
1998 2.086 33.545 1.955 2418347 C13NOESY
1999 2.089 33.533 1.849 2829428 C13NOESY
2000 2.152 33.641 1.854 1845740 C13NOESY
2001 0.857 33.602 1.955 1686037 C13NOESY
2002 1.485 37.236 2.090 1493186 C13NOESY
2003 5.018 37.367 2.370 1018963 C13NOESY
2004 5.139 37.306 2.368 3038708 C13NOESY
2005 5.137 37.299 2.090 3401942 C13NOESY
2006 1.952 37.293 2.370 4892588 C13NOESY
2007 1.955 37.321 2.097 4948104 C13NOESY
2008 1.842 37.299 2.369 4536364 C13NOESY
2009 1.842 37.330 2.092 4672631 C13NOESY
2010 2.365 37.313 2.369 46646784 C13NOESY
2011 2.365 37.304 2.092 21889204 C13NOESY
2012 2.085 37.304 2.369 24412670 C13NOESY
2013 2.085 37.310 2.099 18807460 C13NOESY
2014 0.833 37.313 2.367 1753226 C13NOESY
2015 0.825 37.314 2.093 1573158 C13NOESY
2016 9.342 60.497 4.966 834521 C13NOESY
2017 4.969 60.524 4.972 7469108 C13NOESY
2018 0.699 60.545 4.968 1630295 C13NOESY
2019 1.550 60.541 4.975 1249857 C13NOESY
2020 0.780 60.504 4.973 3013138 C13NOESY
2021 1.423 39.250 1.822 1028626 C13NOESY
2022 1.074 39.163 1.823 1090706 C13NOESY
2023 9.356 39.090 1.813 1041844 C13NOESY
2024 0.687 39.151 1.821 2785786 C13NOESY
2025 0.779 39.173 1.828 3384543 C13NOESY
2026 0.856 39.121 1.815 1346628 C13NOESY
2027 0.963 14.030 0.679 2333504 C13NOESY
2028 5.011 13.992 0.675 1093504 C13NOESY
2029 1.830 14.058 0.684 2663023 C13NOESY
2030 0.681 14.051 0.681 50729184 C13NOESY
2031 0.862 14.042 0.683 8636365 C13NOESY
2032 1.534 14.043 0.679 4138065 C13NOESY
2033 2.025 14.022 0.682 2250082 C13NOESY
2034 0.505 14.045 0.680 2648752 C13NOESY
2035 0.774 14.067 0.675 7791312 C13NOESY
2036 5.100 28.232 1.497 998772 C13NOESY
2037 5.001 27.925 1.542 1143259 C13NOESY
2038 0.688 28.105 0.862 4335610 C13NOESY
2039 0.690 28.122 1.544 5428784 C13NOESY
2040 0.858 28.048 1.541 4529017 C13NOESY
2041 1.529 28.108 0.851 3149698 C13NOESY
2042 0.798 27.978 1.541 4788217 C13NOESY
2043 1.444 18.127 0.780 2028715 C13NOESY
2044 4.987 18.136 0.778 3163523 C13NOESY
2045 0.857 18.177 0.776 19899632 C13NOESY
2046 1.568 18.157 0.776 6065904 C13NOESY
2047 1.835 18.135 0.780 7490227 C13NOESY
2048 5.159 62.146 4.407 2021644 C13NOESY
2049 1.715 62.190 4.409 1108781 C13NOESY
2050 2.135 62.139 4.414 1418715 C13NOESY
2051 0.911 62.168 4.406 2604639 C13NOESY
2052 0.812 62.119 4.414 2153025 C13NOESY
2053 8.528 62.214 4.405 1278732 C13NOESY
2054 4.463 62.148 4.403 1951402 C13NOESY
2055 1.540 62.206 4.406 1135227 C13NOESY
2056 4.412 34.147 2.153 1242919 C13NOESY
2057 0.913 34.185 2.145 4062568 C13NOESY
2058 0.822 34.162 2.150 3841814 C13NOESY
2059 1.591 34.112 2.140 1846986 C13NOESY
2060 4.412 21.463 0.919 5132901 C13NOESY
2061 2.142 21.468 0.917 12838029 C13NOESY
2062 8.531 21.539 0.919 1074072 C13NOESY
2063 4.529 21.485 0.913 3035450 C13NOESY
2064 5.158 20.412 0.820 975746 C13NOESY
2065 1.678 20.530 0.817 4262957 C13NOESY
2066 1.843 20.586 0.816 1377899 C13NOESY
2067 5.000 20.457 0.812 1349476 C13NOESY
2068 9.075 20.542 0.812 1032479 C13NOESY
2069 4.406 20.534 0.818 3188407 C13NOESY
2070 2.140 20.546 0.817 9843179 C13NOESY
2071 0.815 20.569 0.815 154214288 C13NOESY
2072 1.573 20.532 0.816 7006475 C13NOESY
2073 0.754 20.896 0.858 4921896 C13NOESY
2074 0.793 54.832 4.476 4935184 C13NOESY
2075 8.519 54.878 4.480 1127032 C13NOESY
2076 1.563 54.800 4.479 5799384 C13NOESY
2077 4.470 42.385 1.580 2457577 C13NOESY
2078 4.460 42.395 1.556 2027510 C13NOESY
2079 1.579 42.403 1.538 13004295 C13NOESY
2080 4.470 25.217 0.867 2675213 C13NOESY
2081 1.565 25.088 0.880 20978800 C13NOESY
2082 4.478 23.965 0.795 6902660 C13NOESY
2083 0.797 23.930 0.803 271307424 C13NOESY
2084 0.817 23.775 0.811 211544800 C13NOESY
2085 1.568 23.921 0.802 12561350 C13NOESY
2086 2.147 27.380 1.604 1269191 C13NOESY
2087 4.472 27.503 1.582 1592067 C13NOESY
2088 0.891 56.586 4.289 1382901 C13NOESY
2089 1.586 56.648 4.260 1100970 C13NOESY
2090 4.282 56.593 4.285 73772752 C13NOESY
2091 1.966 56.585 4.282 4472128 C13NOESY
2092 4.276 31.062 1.965 3074161 C13NOESY
2093 4.280 31.034 1.851 2478730 C13NOESY
2094 1.851 31.064 1.964 26478548 C13NOESY
2095 2.155 31.040 1.851 4544677 C13NOESY
2096 1.962 31.057 1.967 27973764 C13NOESY
2097 1.955 31.030 1.857 19431838 C13NOESY
2098 0.888 36.488 2.190 2319257 C13NOESY
2099 0.964 36.530 2.127 993842 C13NOESY
2100 4.284 36.530 2.192 1821373 C13NOESY
2101 4.288 36.488 2.135 1648633 C13NOESY
2102 1.961 36.555 2.188 7475004 C13NOESY
2103 1.964 36.524 2.129 5445102 C13NOESY
2104 1.856 36.562 2.191 5142178 C13NOESY
2105 1.846 36.529 2.129 4009390 C13NOESY
2106 2.173 36.534 2.129 57940112 C13NOESY
2107 2.138 36.542 2.189 61182688 C13NOESY
2108 4.843 132.963 6.940 710758 C13NOESY
2109 1.910 123.043 6.998 405499 C13NOESY
2110 4.234 114.021 7.354 917610 C13NOESY
2111 0.787 130.765 7.047 826756 C13NOESY
2112 4.860 118.351 6.866 2130367 C13NOESY
2113 1.010 132.896 7.271 719060 C13NOESY
2114 0.852 126.561 7.312 510697 C13NOESY
2115 0.764 132.950 6.940 461650 C13NOESY
2116 8.492 132.942 6.941 780434 C13NOESY
2117 5.066 132.926 6.944 1578547 C13NOESY
2118 2.874 132.986 6.940 1337055 C13NOESY
2119 2.718 132.988 6.941 1397466 C13NOESY
2120 6.940 132.980 6.940 24027482 C13NOESY
2121 6.566 132.953 6.942 4908048 C13NOESY
2122 1.752 132.937 6.940 450192 C13NOESY
2123 2.086 133.002 6.941 323108 C13NOESY
2124 0.541 132.902 6.939 612808 C13NOESY
2125 0.881 133.074 6.939 515286 C13NOESY
2126 2.731 117.989 6.568 453398 C13NOESY
2127 6.937 117.920 6.571 5773620 C13NOESY
2128 6.566 117.910 6.568 32483906 C13NOESY
2129 4.854 117.937 6.570 2646487 C13NOESY
2130 -0.071 117.907 6.571 325375 C13NOESY
2131 0.530 117.864 6.570 699310 C13NOESY
2132 0.875 117.950 6.569 488390 C13NOESY
2133 5.014 126.663 7.323 1406871 C13NOESY
2134 2.799 126.559 7.325 341883 C13NOESY
2135 7.321 126.664 7.325 14130077 C13NOESY
2136 11.475 126.664 7.326 2012723 C13NOESY
2137 8.073 126.658 7.325 674160 C13NOESY
2138 2.959 126.668 7.325 751092 C13NOESY
2139 0.953 126.659 7.325 1707786 C13NOESY
2140 0.684 126.546 7.312 333577 C13NOESY
2141 3.208 120.536 7.225 513959 C13NOESY
2142 7.218 120.628 7.226 3567228 C13NOESY
2143 6.971 120.456 7.225 789086 C13NOESY
2144 6.817 120.616 7.226 1400723 C13NOESY
2145 2.209 120.478 7.226 449659 C13NOESY
2146 1.129 120.619 7.240 495837 C13NOESY
2147 1.955 120.582 7.225 572376 C13NOESY
2148 6.985 122.933 6.994 7723576 C13NOESY
2149 7.346 122.904 6.995 2186851 C13NOESY
2150 6.834 122.948 6.995 1867211 C13NOESY
2151 3.234 122.896 6.996 860008 C13NOESY
2152 4.130 122.854 6.980 392042 C13NOESY
2153 3.493 122.853 6.986 313162 C13NOESY
2154 2.192 122.907 6.987 429264 C13NOESY
2155 2.114 123.116 6.967 309084 C13NOESY
2156 3.864 122.916 6.994 974513 C13NOESY
2157 7.234 114.026 7.352 854585 C13NOESY
2158 6.988 114.018 7.354 2940121 C13NOESY
2159 7.350 114.040 7.355 17108348 C13NOESY
2160 6.858 113.951 7.350 439214 C13NOESY
2161 3.238 114.078 7.365 386396 C13NOESY
2162 2.144 113.997 7.354 435738 C13NOESY
2163 3.854 113.994 7.350 786166 C13NOESY
2164 0.544 114.030 7.354 524881 C13NOESY
2165 7.222 120.526 6.823 1518804 C13NOESY
2166 6.984 120.502 6.825 875521 C13NOESY
2167 6.823 120.495 6.823 3593386 C13NOESY
2168 3.231 120.554 6.825 481959 C13NOESY
2169 1.145 120.487 6.830 517068 C13NOESY
2170 0.931 120.585 6.825 373954 C13NOESY
2171 0.939 128.285 6.792 385832 C13NOESY
2172 2.800 128.538 6.807 371600 C13NOESY
2173 1.031 128.279 6.792 392705 C13NOESY
2174 6.790 128.389 6.793 9948502 C13NOESY
2175 7.039 128.371 6.795 3587455 C13NOESY
2176 0.779 128.377 6.793 1319837 C13NOESY
2177 2.209 131.836 7.150 599528 C13NOESY
2178 1.956 131.895 7.148 782837 C13NOESY
2179 1.067 131.878 7.131 267401 C13NOESY
2180 9.439 131.948 7.139 838776 C13NOESY
2181 4.845 132.035 7.152 640515 C13NOESY
2182 3.274 131.868 7.144 1041523 C13NOESY
2183 2.985 131.937 7.148 917614 C13NOESY
2184 7.139 131.914 7.144 13837536 C13NOESY
2185 7.054 131.926 7.144 2697686 C13NOESY
2186 0.055 131.907 7.142 339740 C13NOESY
2187 1.742 130.804 7.056 304935 C13NOESY
2188 2.211 130.857 7.053 435520 C13NOESY
2189 0.750 130.854 7.052 672837 C13NOESY
2190 9.227 130.723 7.043 341353 C13NOESY
2191 1.945 130.966 7.053 369492 C13NOESY
2192 1.052 130.824 7.043 728287 C13NOESY
2193 6.791 130.769 7.048 2657502 C13NOESY
2194 7.131 130.928 7.055 2278750 C13NOESY
2195 7.042 130.801 7.038 9000917 C13NOESY
2196 1.825 132.910 7.272 533723 C13NOESY
2197 1.607 132.876 7.279 422172 C13NOESY
2198 1.486 132.985 7.265 771972 C13NOESY
2199 4.926 132.890 7.271 366556 C13NOESY
2200 0.785 133.035 7.270 788119 C13NOESY
2201 8.652 132.960 7.269 953671 C13NOESY
2202 5.730 132.909 7.271 1080426 C13NOESY
2203 3.142 132.927 7.270 1220162 C13NOESY
2204 2.985 132.962 7.269 1326307 C13NOESY
2205 7.265 132.937 7.270 45974836 C13NOESY
2206 6.863 132.931 7.270 10648226 C13NOESY
2207 8.758 132.799 7.268 508992 C13NOESY
2208 1.826 118.383 6.869 778294 C13NOESY
2209 1.484 118.353 6.866 917572 C13NOESY
2210 2.719 118.279 6.869 328327 C13NOESY
2211 0.797 118.375 6.866 1949693 C13NOESY
2212 1.020 118.387 6.866 3110498 C13NOESY
2213 5.722 118.337 6.866 667726 C13NOESY
2214 3.118 118.274 6.867 377035 C13NOESY
2215 2.985 118.375 6.868 577415 C13NOESY
2216 7.265 118.363 6.866 17988014 C13NOESY
2217 6.864 118.355 6.867 141964160 C13NOESY
3001 1.451 14.004 0.783 1911554 Added_Back
3002 1.472 36.473 2.281 1300664 Added_Back
#*
#File History: /farm/users/dasnyder/PfR48/AutoStructureRuns/DAS.I.147/c13noesy.DAS.I.147.pks
#
#/farm/software/AutoPeak/bin/create_peak_list.pl - C13NOESY /farm/users/dasnyder/PfR48/AutoStructureRuns/DAS.I.147/c13noesy.DAS.I.147.pks
#
# union of 148 and 148.1 peak lists
;
save_
save_peak_list_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_4
_Spectral_peak_list.Entry_ID 6173
_Spectral_peak_list.ID 4
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_PfR48.NC.RX.7.85
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $Sample_condition_list_1
_Spectral_peak_list.Experiment_ID .
_Spectral_peak_list.Experiment_name .
_Spectral_peak_list.Number_of_spectral_dimensions .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
#Index 1Dim 2Dim 3Dim Intensity Workbook
1 121.168 8.193 8.388 380775 N15_NOESY
2 120.467 1.827 8.744 1446461 N15_NOESY
3 122.517 0.986 7.927 869336 N15_NOESY
4 107.942 3.899 8.340 415745 N15_NOESY
5 122.252 1.951 8.504 808212 N15_NOESY
6 126.915 5.167 8.504 367461 N15_NOESY
7 115.888 2.165 7.673 229930 N15_NOESY
8 117.311 4.470 7.886 324465 N15_NOESY
9 117.215 4.472 7.276 302816 N15_NOESY
10 126.093 7.989 7.988 3621219 N15_NOESY
11 122.077 8.036 8.033 2226466 N15_NOESY
12 119.781 8.232 8.233 1950679 N15_NOESY
13 122.350 8.111 8.111 1902673 N15_NOESY
14 112.641 6.864 6.685 1892481 N15_NOESY
15 112.518 8.005 8.004 1558545 N15_NOESY
16 120.424 4.845 7.249 1544885 N15_NOESY
17 129.547 10.187 10.188 1389694 N15_NOESY
18 122.129 7.772 7.768 1333563 N15_NOESY
19 112.687 6.863 6.592 1307771 N15_NOESY
20 112.632 7.484 7.305 1256955 N15_NOESY
21 112.962 4.846 7.629 1176497 N15_NOESY
22 122.241 4.845 8.502 1162296 N15_NOESY
23 111.546 4.845 8.194 1075573 N15_NOESY
24 122.076 8.287 8.286 986856 N15_NOESY
25 112.677 7.487 7.664 945805 N15_NOESY
26 112.963 4.848 6.998 942776 N15_NOESY
27 112.679 7.485 7.214 900948 N15_NOESY
28 112.219 6.922 6.645 896598 N15_NOESY
29 112.666 4.846 6.865 847640 N15_NOESY
30 112.214 4.846 7.602 835515 N15_NOESY
31 105.993 4.838 8.139 744884 N15_NOESY
32 112.646 7.487 6.686 738363 N15_NOESY
33 113.729 6.929 6.927 333353 N15_NOESY
34 112.222 4.846 6.920 639061 N15_NOESY
35 112.678 7.485 6.591 609651 N15_NOESY
36 126.874 5.021 9.122 584403 N15_NOESY
37 124.086 4.845 8.540 574111 N15_NOESY
38 122.484 7.672 9.133 560199 N15_NOESY
39 117.285 8.123 7.946 522812 N15_NOESY
40 125.469 3.078 8.103 521488 N15_NOESY
41 114.337 1.011 9.218 479641 N15_NOESY
42 117.414 8.645 8.382 470131 N15_NOESY
43 117.925 7.630 7.456 713295 N15_NOESY
44 129.545 7.197 8.065 461202 N15_NOESY
45 122.343 1.705 8.436 442144 N15_NOESY
46 112.241 7.598 6.644 405432 N15_NOESY
47 112.887 4.847 8.281 400228 N15_NOESY
48 124.536 4.846 8.207 396531 N15_NOESY
49 112.266 7.600 7.420 705404 N15_NOESY
50 122.135 8.495 8.325 372350 N15_NOESY
51 123.517 4.849 8.132 368913 N15_NOESY
52 115.951 4.854 7.673 1922548 N15_NOESY
# 53 124.935 4.843 8.562 982895 SEE_NOTE
54 121.250 0.800 8.393 726856 N15_NOESY
55 115.994 9.133 7.672 557532 N15_NOESY
56 107.925 4.845 8.334 513267 N15_NOESY
57 125.463 4.586 8.101 936691 N15_NOESY
58 122.360 4.566 8.433 584722 N15_NOESY
59 109.684 4.834 7.750 251049 N15_NOESY
60 112.035 6.920 7.192 577396 N15_NOESY
61 112.264 7.603 6.739 535671 N15_NOESY
62 112.683 6.507 7.483 249595 N15_NOESY
63 112.530 6.304 7.484 215661 N15_NOESY
64 112.967 7.001 6.816 539661 N15_NOESY
65 112.715 6.867 7.043 1008046 N15_NOESY
66 112.652 7.491 7.049 344546 N15_NOESY
67 125.345 1.563 9.253 342451 N15_NOESY
68 119.787 5.167 8.807 2310606 N15_NOESY
69 119.803 1.733 8.808 847933 N15_NOESY
70 119.800 1.538 8.812 383866 N15_NOESY
71 119.798 8.808 8.808 5874830 N15_NOESY
72 119.761 4.677 8.805 429728 N15_NOESY
73 119.745 2.029 8.812 526274 N15_NOESY
74 119.723 1.446 8.813 466479 N15_NOESY
75 119.766 1.073 8.811 548170 N15_NOESY
76 119.796 9.344 8.808 511720 N15_NOESY
77 119.810 4.371 8.808 210291 N15_NOESY
78 119.800 0.857 8.808 545784 N15_NOESY
79 119.755 0.951 8.814 526426 N15_NOESY
80 123.831 4.672 8.865 2720765 N15_NOESY
81 123.846 2.021 8.866 1080947 N15_NOESY
82 123.819 8.866 8.865 8647750 N15_NOESY
83 123.834 5.170 8.867 771477 N15_NOESY
84 123.848 1.855 8.866 2148021 N15_NOESY
85 123.841 1.475 8.866 784775 N15_NOESY
86 123.851 8.671 8.866 436104 N15_NOESY
87 123.841 0.976 8.865 1082736 N15_NOESY
88 123.825 1.596 8.867 753167 N15_NOESY
89 107.026 1.482 8.663 547088 N15_NOESY
90 107.025 8.663 8.661 7044504 N15_NOESY
91 107.015 3.127 8.661 906759 N15_NOESY
92 107.011 0.520 8.661 1098331 N15_NOESY
93 107.020 1.849 8.661 1189766 N15_NOESY
94 107.021 5.167 8.661 3264135 N15_NOESY
95 118.911 3.125 8.165 1093711 N15_NOESY
96 118.902 5.133 8.166 1171052 N15_NOESY
97 118.894 8.168 8.167 6137304 N15_NOESY
98 118.890 4.892 8.165 579276 N15_NOESY
99 118.897 1.772 8.168 1144358 N15_NOESY
100 118.883 0.782 8.167 1744572 N15_NOESY
101 118.888 0.515 8.170 991942 N15_NOESY
102 118.887 9.209 8.168 606616 N15_NOESY
103 118.838 4.842 8.169 626155 N15_NOESY
104 118.863 1.010 8.171 427752 N15_NOESY
105 118.925 8.661 8.167 400160 N15_NOESY
106 126.732 4.932 8.664 1699053 N15_NOESY
107 126.724 8.666 8.664 5142595 N15_NOESY
108 126.669 3.769 8.665 394909 N15_NOESY
109 126.725 2.286 8.664 1114228 N15_NOESY
110 126.723 0.520 8.664 780286 N15_NOESY
111 126.737 0.749 8.665 2483936 N15_NOESY
112 128.937 3.764 9.078 1004957 N15_NOESY
113 128.921 0.514 9.073 612438 N15_NOESY
114 128.931 9.075 9.076 2105260 N15_NOESY
115 128.929 4.392 9.074 356191 N15_NOESY
116 128.950 0.768 9.078 761752 N15_NOESY
117 128.913 1.630 9.077 448386 N15_NOESY
118 128.892 1.481 9.080 732694 N15_NOESY
119 128.983 7.412 9.074 505601 N15_NOESY
120 128.955 4.857 9.075 332500 N15_NOESY
121 108.428 9.078 7.409 937299 N15_NOESY
122 108.464 0.782 7.411 597802 N15_NOESY
123 108.493 1.480 7.411 1001011 N15_NOESY
124 108.461 7.412 7.410 4407630 N15_NOESY
125 108.436 3.785 7.407 523037 N15_NOESY
126 108.484 8.764 7.411 415682 N15_NOESY
127 108.461 1.752 7.412 591381 N15_NOESY
128 108.460 0.518 7.410 827773 N15_NOESY
129 108.422 4.371 7.406 790372 N15_NOESY
130 121.194 4.342 8.464 1829011 N15_NOESY
131 121.166 3.810 8.463 775154 N15_NOESY
132 121.188 3.699 8.465 446872 N15_NOESY
133 121.150 5.064 8.463 495657 N15_NOESY
134 121.153 2.884 8.467 418669 N15_NOESY
135 121.228 2.711 8.461 543861 N15_NOESY
136 121.105 0.866 8.461 320378 N15_NOESY
137 121.217 0.544 8.467 448886 N15_NOESY
138 121.148 8.465 8.463 6890938 N15_NOESY
139 124.060 4.446 8.538 400985 N15_NOESY
140 123.988 1.801 8.545 579148 N15_NOESY
141 124.023 5.063 8.540 1296065 N15_NOESY
142 124.044 8.541 8.541 3172334 N15_NOESY
143 124.029 1.484 8.541 721503 N15_NOESY
144 124.993 4.440 8.562 1036519 N15_NOESY
145 125.056 4.571 8.555 254159 N15_NOESY
146 125.038 1.603 8.563 414080 N15_NOESY
147 124.960 8.561 8.560 1576763 N15_NOESY
148 124.967 1.794 8.559 639204 N15_NOESY
149 124.930 1.468 8.555 289340 N15_NOESY
150 118.069 1.815 8.490 690192 N15_NOESY
151 118.040 1.599 8.483 460708 N15_NOESY
152 118.079 8.490 8.487 5013149 N15_NOESY
153 118.063 4.000 8.487 544199 N15_NOESY
154 118.037 3.863 8.487 678540 N15_NOESY
155 118.104 4.844 8.492 2417204 N15_NOESY
156 118.047 4.567 8.485 2308305 N15_NOESY
157 123.389 4.202 8.624 142058 N15_NOESY
158 123.496 4.539 8.689 735713 N15_NOESY
159 123.532 8.688 8.688 6818350 N15_NOESY
160 123.510 1.850 8.687 1750655 N15_NOESY
161 118.326 1.847 8.521 612383 N15_NOESY
162 118.391 2.060 8.525 530057 N15_NOESY
163 118.381 1.956 8.524 752124 N15_NOESY
164 118.345 2.274 8.524 597189 N15_NOESY
165 118.341 7.989 8.519 407737 N15_NOESY
166 118.368 4.192 8.526 1197909 N15_NOESY
167 118.315 8.521 8.516 3691868 N15_NOESY
168 117.461 8.511 7.981 402267 N15_NOESY
169 117.452 4.212 7.984 959981 N15_NOESY
170 117.401 1.975 7.983 318936 N15_NOESY
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552 118.854 8.015 8.012 13381143 N15_NOESY
553 118.849 5.143 8.011 1098386 N15_NOESY
554 118.861 1.563 8.012 2737349 N15_NOESY
555 118.823 1.218 8.017 582151 N15_NOESY
556 118.875 1.053 8.011 670129 N15_NOESY
557 118.881 4.845 8.014 654144 N15_NOESY
558 118.859 8.693 8.012 1529555 N15_NOESY
559 124.536 4.766 8.691 250075 N15_NOESY
560 124.391 5.141 8.695 2077557 N15_NOESY
561 124.419 1.216 8.697 728315 N15_NOESY
562 124.350 8.693 8.691 4445434 N15_NOESY
563 124.451 4.142 8.691 465011 N15_NOESY
564 124.396 2.175 8.697 1110431 N15_NOESY
565 124.377 1.625 8.693 1066437 N15_NOESY
566 124.382 0.761 8.694 1969005 N15_NOESY
567 122.673 4.144 8.933 1335196 N15_NOESY
568 122.666 0.768 8.933 1087788 N15_NOESY
569 122.659 8.934 8.933 3129360 N15_NOESY
570 122.676 4.652 8.934 567406 N15_NOESY
571 122.666 0.885 8.934 1661967 N15_NOESY
572 122.673 7.630 8.933 1368726 N15_NOESY
573 122.667 5.410 8.935 702070 N15_NOESY
574 122.634 8.691 8.943 468819 N15_NOESY
575 122.595 1.652 8.934 418103 N15_NOESY
576 117.690 0.771 7.630 1957831 N15_NOESY
577 117.675 8.933 7.629 2963651 N15_NOESY
578 117.700 0.889 7.629 3268526 N15_NOESY
579 117.666 8.662 7.628 620494 N15_NOESY
580 117.691 1.540 7.632 766216 N15_NOESY
581 117.622 5.412 7.631 425767 N15_NOESY
582 117.890 7.630 7.627 15725113 N15_NOESY
583 117.681 4.658 7.630 1781533 N15_NOESY
584 117.734 1.878 7.629 1254545 N15_NOESY
585 117.723 1.651 7.628 1050914 N15_NOESY
586 117.621 7.638 8.649 392804 N15_NOESY
587 117.537 4.667 8.647 3801480 N15_NOESY
588 117.626 1.993 8.647 964462 N15_NOESY
589 117.597 1.879 8.647 2214069 N15_NOESY
590 117.591 1.684 8.647 845318 N15_NOESY
591 117.392 8.646 8.644 14196599 N15_NOESY
592 117.605 4.407 8.646 697349 N15_NOESY
593 117.593 2.284 8.647 946258 N15_NOESY
594 117.518 8.419 8.647 517927 N15_NOESY
595 117.601 0.936 8.647 4154300 N15_NOESY
596 124.036 4.406 8.397 1875110 N15_NOESY
597 124.043 2.283 8.397 1600224 N15_NOESY
598 124.048 0.976 8.397 1500852 N15_NOESY
599 124.037 8.397 8.396 6056519 N15_NOESY
600 124.051 2.719 8.394 936244 N15_NOESY
601 124.064 2.399 8.399 777634 N15_NOESY
602 124.038 4.852 8.397 1975910 N15_NOESY
603 124.076 0.739 8.397 255119 N15_NOESY
604 124.048 9.044 8.397 390395 N15_NOESY
605 124.079 8.643 8.399 223118 N15_NOESY
606 124.058 1.516 8.398 570922 N15_NOESY
607 114.954 4.833 8.618 2324976 N15_NOESY
608 114.956 8.616 8.615 1264943 N15_NOESY
609 114.967 4.016 8.619 700937 N15_NOESY
610 114.962 3.772 8.617 949563 N15_NOESY
611 111.112 4.844 8.946 1228971 N15_NOESY
612 111.093 4.020 8.940 488780 N15_NOESY
613 111.125 3.766 8.944 469818 N15_NOESY
614 111.077 8.943 8.940 578499 N15_NOESY
615 111.151 4.529 8.941 229870 N15_NOESY
616 111.088 1.139 8.942 302961 N15_NOESY
617 111.069 9.139 8.941 317655 N15_NOESY
618 122.505 8.946 9.132 835801 N15_NOESY
619 122.492 9.134 9.133 6400848 N15_NOESY
620 122.472 2.173 9.132 865216 N15_NOESY
621 122.492 1.673 9.133 1583582 N15_NOESY
622 122.507 1.535 9.131 767432 N15_NOESY
623 122.510 1.384 9.134 658511 N15_NOESY
624 122.498 7.991 9.132 1477368 N15_NOESY
625 122.478 4.570 9.132 1152962 N15_NOESY
626 106.870 1.377 7.988 570485 N15_NOESY
627 106.884 0.978 7.992 382320 N15_NOESY
628 106.881 9.133 7.989 1380776 N15_NOESY
629 106.869 7.991 7.989 6203726 N15_NOESY
630 106.879 4.517 7.989 1297975 N15_NOESY
631 106.884 3.138 7.988 1295496 N15_NOESY
632 106.882 7.673 7.989 1850306 N15_NOESY
633 106.856 1.526 7.988 518783 N15_NOESY
634 115.941 0.987 7.674 385567 N15_NOESY
635 115.940 1.374 7.676 323357 N15_NOESY
636 115.943 7.992 7.672 2026615 N15_NOESY
637 115.932 4.510 7.672 667354 N15_NOESY
638 115.955 3.136 7.673 610843 N15_NOESY
639 115.949 7.673 7.673 11750758 N15_NOESY
640 115.948 1.522 7.672 3579647 N15_NOESY
641 115.927 8.947 7.674 342557 N15_NOESY
642 108.602 0.495 8.947 414932 N15_NOESY
643 108.590 5.116 8.958 268182 N15_NOESY
644 108.629 4.386 8.953 455632 N15_NOESY
645 108.600 1.522 8.948 1741608 N15_NOESY
646 108.594 8.951 8.948 5510644 N15_NOESY
647 108.595 0.971 8.948 728345 N15_NOESY
648 108.595 0.703 8.948 1676748 N15_NOESY
649 108.595 4.900 8.948 1765648 N15_NOESY
650 118.434 0.755 9.041 1073174 N15_NOESY
651 118.435 7.630 9.044 587358 N15_NOESY
652 118.414 4.407 9.042 476857 N15_NOESY
653 118.468 8.398 9.045 399975 N15_NOESY
654 118.433 4.869 9.044 1477778 N15_NOESY
655 118.443 2.261 9.043 1656268 N15_NOESY
656 118.419 0.968 9.043 958442 N15_NOESY
657 118.440 9.043 9.043 5631099 N15_NOESY
658 118.441 5.166 9.045 487689 N15_NOESY
659 118.426 1.528 9.043 1124440 N15_NOESY
660 118.415 1.624 9.043 839669 N15_NOESY
661 126.497 0.765 9.559 927332 N15_NOESY
662 126.519 4.746 9.562 306770 N15_NOESY
663 126.491 5.169 9.558 2300369 N15_NOESY
664 126.485 9.558 9.557 6276034 N15_NOESY
665 126.469 5.405 9.559 388146 N15_NOESY
666 126.495 1.055 9.557 1322226 N15_NOESY
667 126.491 9.070 9.561 875439 N15_NOESY
668 126.504 1.522 9.557 575208 N15_NOESY
669 122.294 0.763 8.688 402744 N15_NOESY
670 122.309 8.014 8.692 1177083 N15_NOESY
671 122.343 4.148 8.692 749507 N15_NOESY
672 122.303 0.902 8.691 1006374 N15_NOESY
673 122.314 5.406 8.692 2480186 N15_NOESY
674 122.305 1.045 8.692 1446092 N15_NOESY
675 122.292 8.692 8.692 7112925 N15_NOESY
676 122.305 5.159 8.691 712094 N15_NOESY
677 122.286 1.712 8.692 1495006 N15_NOESY
678 128.782 5.159 9.438 1633338 N15_NOESY
679 128.789 1.648 9.432 506964 N15_NOESY
680 128.781 9.437 9.437 3793548 N15_NOESY
681 128.784 4.844 9.437 661383 N15_NOESY
682 128.805 3.263 9.436 541726 N15_NOESY
683 128.757 2.969 9.439 672192 N15_NOESY
684 128.763 7.064 9.437 411574 N15_NOESY
685 121.224 4.848 8.972 1479519 N15_NOESY
686 121.208 8.973 8.972 1110446 N15_NOESY
687 121.222 4.247 8.968 442399 N15_NOESY
688 121.207 2.210 8.972 850277 N15_NOESY
689 121.179 2.440 8.965 592269 N15_NOESY
690 117.272 4.843 8.125 1705934 N15_NOESY
691 117.267 3.274 8.122 656885 N15_NOESY
692 117.271 2.967 8.125 371627 N15_NOESY
693 117.245 8.970 8.121 684262 N15_NOESY
694 117.263 4.242 8.122 1131687 N15_NOESY
695 117.261 2.209 8.122 1667283 N15_NOESY
696 117.267 2.444 8.124 645997 N15_NOESY
697 117.268 4.519 8.123 1467353 N15_NOESY
698 117.259 1.989 8.123 1032192 N15_NOESY
699 117.260 1.828 8.122 1663632 N15_NOESY
700 117.252 1.506 8.122 1184271 N15_NOESY
701 117.260 8.125 8.123 14162164 N15_NOESY
702 105.972 4.517 8.137 2981728 N15_NOESY
703 105.987 1.993 8.138 1111482 N15_NOESY
704 105.979 1.824 8.138 946608 N15_NOESY
705 105.964 1.500 8.137 435597 N15_NOESY
706 105.965 3.734 8.138 3120654 N15_NOESY
707 105.965 7.931 8.137 712029 N15_NOESY
708 105.963 8.138 8.137 10707088 N15_NOESY
709 122.545 3.732 7.924 2367083 N15_NOESY
710 122.366 7.919 7.913 6714696 N15_NOESY
711 122.526 4.319 7.922 553951 N15_NOESY
712 122.536 1.097 7.923 983820 N15_NOESY
713 122.521 0.767 7.922 609594 N15_NOESY
714 122.565 0.060 7.921 413433 N15_NOESY
715 107.951 4.526 8.352 378661 N15_NOESY
716 107.973 2.126 8.343 255573 N15_NOESY
717 107.934 8.342 8.340 781496 N15_NOESY
718 118.280 3.879 8.231 971062 N15_NOESY
719 118.308 2.395 8.230 642131 N15_NOESY
720 118.302 7.906 8.224 475023 N15_NOESY
721 118.286 2.102 8.230 1353712 N15_NOESY
722 112.355 2.841 6.902 125784 N15_NOESY
723 112.200 6.554 7.601 240322 N15_NOESY
724 112.258 4.253 6.911 85193 N15_NOESY
725 112.133 2.128 7.596 208533 N15_NOESY
726 112.212 2.163 6.918 185494 N15_NOESY
727 112.217 7.603 7.600 18029932 N15_NOESY
728 112.223 7.601 6.918 11122126 N15_NOESY
729 112.220 6.922 7.601 10006978 N15_NOESY
730 112.199 6.920 6.918 28735780 N15_NOESY
731 112.193 2.395 7.601 1013954 N15_NOESY
732 112.241 2.392 6.921 431028 N15_NOESY
733 112.585 0.472 6.929 179542 N15_NOESY
734 111.916 7.395 7.592 320955 N15_NOESY
735 121.970 2.130 7.897 376412 N15_NOESY
736 122.163 7.904 7.902 7379301 N15_NOESY
737 122.013 0.506 7.898 1612170 N15_NOESY
738 122.026 7.346 7.899 1258877 N15_NOESY
739 122.029 4.234 7.898 1874831 N15_NOESY
740 117.404 7.900 7.341 1163858 N15_NOESY
741 117.401 4.225 7.344 936521 N15_NOESY
742 117.400 7.346 7.344 8731482 N15_NOESY
743 117.377 3.548 7.343 753050 N15_NOESY
744 117.417 1.676 7.344 1781730 N15_NOESY
745 117.410 1.367 7.344 1198341 N15_NOESY
746 117.430 0.872 7.344 629576 N15_NOESY
747 117.400 1.524 7.344 1362924 N15_NOESY
748 117.416 0.528 7.342 1108471 N15_NOESY
749 113.114 3.531 8.717 483699 N15_NOESY
750 113.078 8.710 8.707 610819 N15_NOESY
751 113.022 4.199 8.738 200366 N15_NOESY
752 113.145 8.096 8.720 237615 N15_NOESY
753 112.995 0.536 8.707 211685 N15_NOESY
754 120.642 2.285 8.091 1632082 N15_NOESY
755 120.654 0.526 8.092 930908 N15_NOESY
756 120.638 0.743 8.091 1333393 N15_NOESY
757 120.656 11.470 8.095 241929 N15_NOESY
758 120.649 3.516 8.091 1081338 N15_NOESY
759 120.625 4.184 8.091 978768 N15_NOESY
760 120.643 8.093 8.091 14212249 N15_NOESY
761 120.648 4.710 8.091 1407333 N15_NOESY
762 120.645 2.965 8.091 3704984 N15_NOESY
763 120.633 8.681 8.092 1701349 N15_NOESY
764 116.944 0.774 8.638 422856 N15_NOESY
765 116.954 8.090 8.636 571670 N15_NOESY
766 117.067 4.707 8.637 4435326 N15_NOESY
767 117.142 8.639 8.639 15368702 N15_NOESY
768 117.014 5.727 8.637 890800 N15_NOESY
769 116.997 3.139 8.636 1598762 N15_NOESY
770 116.969 7.237 8.639 418917 N15_NOESY
771 116.996 2.974 8.636 4521705 N15_NOESY
772 111.248 0.765 8.746 630621 N15_NOESY
773 111.269 5.727 8.744 2599029 N15_NOESY
774 111.276 3.144 8.743 956537 N15_NOESY
775 111.293 2.975 8.745 654755 N15_NOESY
776 111.275 8.742 8.743 6141889 N15_NOESY
777 111.266 4.986 8.745 804331 N15_NOESY
778 111.255 0.944 8.742 621979 N15_NOESY
779 111.282 0.521 8.743 1900577 N15_NOESY
780 118.548 1.347 8.376 203533 N15_NOESY
781 118.493 5.003 8.379 1922691 N15_NOESY
782 118.500 2.203 8.378 1495009 N15_NOESY
783 118.475 0.936 8.377 720888 N15_NOESY
784 118.524 0.526 8.382 595293 N15_NOESY
785 118.501 8.380 8.378 4964782 N15_NOESY
786 118.509 1.952 8.384 701287 N15_NOESY
787 118.487 1.844 8.382 726122 N15_NOESY
788 118.512 2.376 8.383 335983 N15_NOESY
789 118.503 9.324 8.381 689908 N15_NOESY
790 118.506 0.799 8.376 515458 N15_NOESY
791 124.538 8.798 9.344 589156 N15_NOESY
792 124.822 8.373 9.325 721135 N15_NOESY
793 124.678 2.096 9.338 413302 N15_NOESY
794 124.674 9.058 9.348 378776 N15_NOESY
795 124.514 5.136 9.344 2433624 N15_NOESY
796 127.291 8.413 9.035 273092 N15_NOESY
797 127.355 4.951 9.037 1266337 N15_NOESY
798 127.293 1.570 9.034 534615 N15_NOESY
799 127.339 4.372 9.038 338418 N15_NOESY
800 127.348 2.138 9.036 932458 N15_NOESY
801 127.311 0.806 9.037 2011888 N15_NOESY
802 126.926 9.044 8.509 211727 N15_NOESY
803 126.897 4.379 8.504 2094230 N15_NOESY
804 126.878 2.126 8.503 571642 N15_NOESY
805 126.879 0.908 8.504 1103924 N15_NOESY
806 126.864 8.506 8.505 6675482 N15_NOESY
807 126.875 1.562 8.505 2371826 N15_NOESY
808 126.874 0.834 8.504 1028202 N15_NOESY
809 122.231 4.478 8.502 1949015 N15_NOESY
810 122.214 0.815 8.501 666300 N15_NOESY
811 122.224 1.566 8.500 1103822 N15_NOESY
812 122.252 4.294 8.501 691115 N15_NOESY
813 122.234 1.848 8.502 1104513 N15_NOESY
814 122.218 2.159 8.502 553565 N15_NOESY
815 122.233 8.506 8.503 8733018 N15_NOESY
816 125.469 8.104 8.102 10369800 N15_NOESY
#*
#
# Notes:
#
# Removed peak (#53) never assigned in p. 144.6 run but which becomes assigned then
# unassigned in p. 147 run - didn't look so bad, but not so good either
#
# Previous history:
#
#File History: /farm/users/dasnyder/PfR48/AutoStructureRuns/DAS.I.147/n15noesy.DAS.I.147.pks
#
#/farm/software/AutoPeak/bin/concatenate.pl /farm/users/dasnyder/PfR48/AutoStructureRuns/DAS.I.147/n15noesy.DAS.I.147.pks - n15noesy.high.dups.pks n15noesy.non.dups.pks
#
#
#
#Comments: n15noesy.high.dups.pks
#--------------------------------------------------------------------------------
#File History: n15noesy.high.dups.pks
#
#/farm/software/AutoPeak/bin/extract_duplicates.pl n15noesy.pks high - n15noesy.high.dups.pks 0.01 0.01 0.01
#
#/farm/software/AutoPeak/bin/create_peak_list.pl - N15_NOESY n15noesy.pks
#
#
#Comments: n15noesy.non.dups.pks
#--------------------------------------------------------------------------------
#File History: n15noesy.non.dups.pks
#
#/farm/software/AutoPeak/bin/extract_duplicates.pl n15noesy.pks exc - n15noesy.non.dups.pks 0.01 0.01 0.01
#
#/farm/software/AutoPeak/bin/create_peak_list.pl - N15_NOESY n15noesy.pks
#
#
;
save_