data_15652
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15652
_Entry.Title
;
Solution NMR structure of the uncharacterized protein from Rhodospirillum rubrum gene locus Rru_A0810. Northeast Structural Genomics Target RrR43.
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2008-02-04
_Entry.Accession_date 2008-02-04
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.0.16
_Entry.Original_NMR_STAR_version 3.0.8.112
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID .
_Entry.Generated_software_label .
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.ORCID
_Entry_author.Entry_ID
1 Paolo Rossi . . . . 15652
2 Huang Wang . . . . 15652
3 Mei Jiang . . . . 15652
4 Erica Foote . L. . . 15652
5 Rong Xiao . . . . 15652
6 Jinfeng Liu . . . . 15652
7 G.V.T. Swapna . . . . 15652
8 Thomas Acton . B. . . 15652
9 Michael Baran . C. . . 15652
10 Burkhard Rost . . . . 15652
11 Gaetano Montelione . T. . . 15652
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15652
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 15652
spectral_peak_list 2 15652
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 435 15652
'15N chemical shifts' 90 15652
'1H chemical shifts' 677 15652
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 . . 2009-06-12 2008-02-04 update BMRB 'added time domain data' 15652
1 . . 2008-02-07 2008-02-04 original author 'original release' 15652
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 15652
_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 NMR structure of the uncharacterized protein from Rhodospirillum rubrum gene locus Rru_A0810. Northeast Structural Genomics Target RrR43.
;
_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.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Paolo Rossi . . . . 15652 1
2 Rong Xiao . . . . 15652 1
3 Thomas Acton . B. . . 15652 1
4 Gaetano Montelione . T. . . 15652 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
NESG 15652 1
'Solution NMR' 15652 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 15652
_Assembly.ID 1
_Assembly.Name RrR43
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 RrR43 1 $RrR43 A . yes native no no . . . 15652 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_RrR43
_Entity.Sf_category entity
_Entity.Sf_framecode RrR43
_Entity.Entry_ID 15652
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name RrR43
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MAKAQPIEIAGHEFARKADA
LAFMKVMLNRYRPGDIVSTV
DGAFLVEALKRHPDATSKIG
PGVRNFEVRSADYGTQCFWI
LRTDGSEERFSYKKCVLEHH
HHHH
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq '1-96 Q2RW81_RHORT'
_Entity.Polymer_author_seq_details '97-104 C-term LEHHHHHH Ni affinity tag.'
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 104
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 11870.668
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-26
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2K0M .
;
Solution Nmr Structure Of The Uncharacterized Protein From Rhodospirillum Rubrum Gene Locus Rru_a0810. Northeast Structural Gen
;
. . . . . 100.00 104 100.00 100.00 4.86e-71 . . . . 15652 1
2 no GB ABC21614 . 'conserved hypothetical protein [Rhodospirillum rubrum ATCC 11170]' . . . . . 92.31 96 100.00 100.00 1.92e-64 . . . . 15652 1
3 no GB AEO47305 . 'hypothetical protein F11_04175 [Rhodospirillum rubrum F11]' . . . . . 92.31 96 100.00 100.00 1.92e-64 . . . . 15652 1
4 no REF WP_011388568 . 'hypothetical protein [Rhodospirillum rubrum]' . . . . . 92.31 96 100.00 100.00 1.92e-64 . . . . 15652 1
5 no REF YP_425901 . 'hypothetical protein Rru_A0810 [Rhodospirillum rubrum ATCC 11170]' . . . . . 92.31 96 100.00 100.00 1.92e-64 . . . . 15652 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . MET . 15652 1
2 . ALA . 15652 1
3 . LYS . 15652 1
4 . ALA . 15652 1
5 . GLN . 15652 1
6 . PRO . 15652 1
7 . ILE . 15652 1
8 . GLU . 15652 1
9 . ILE . 15652 1
10 . ALA . 15652 1
11 . GLY . 15652 1
12 . HIS . 15652 1
13 . GLU . 15652 1
14 . PHE . 15652 1
15 . ALA . 15652 1
16 . ARG . 15652 1
17 . LYS . 15652 1
18 . ALA . 15652 1
19 . ASP . 15652 1
20 . ALA . 15652 1
21 . LEU . 15652 1
22 . ALA . 15652 1
23 . PHE . 15652 1
24 . MET . 15652 1
25 . LYS . 15652 1
26 . VAL . 15652 1
27 . MET . 15652 1
28 . LEU . 15652 1
29 . ASN . 15652 1
30 . ARG . 15652 1
31 . TYR . 15652 1
32 . ARG . 15652 1
33 . PRO . 15652 1
34 . GLY . 15652 1
35 . ASP . 15652 1
36 . ILE . 15652 1
37 . VAL . 15652 1
38 . SER . 15652 1
39 . THR . 15652 1
40 . VAL . 15652 1
41 . ASP . 15652 1
42 . GLY . 15652 1
43 . ALA . 15652 1
44 . PHE . 15652 1
45 . LEU . 15652 1
46 . VAL . 15652 1
47 . GLU . 15652 1
48 . ALA . 15652 1
49 . LEU . 15652 1
50 . LYS . 15652 1
51 . ARG . 15652 1
52 . HIS . 15652 1
53 . PRO . 15652 1
54 . ASP . 15652 1
55 . ALA . 15652 1
56 . THR . 15652 1
57 . SER . 15652 1
58 . LYS . 15652 1
59 . ILE . 15652 1
60 . GLY . 15652 1
61 . PRO . 15652 1
62 . GLY . 15652 1
63 . VAL . 15652 1
64 . ARG . 15652 1
65 . ASN . 15652 1
66 . PHE . 15652 1
67 . GLU . 15652 1
68 . VAL . 15652 1
69 . ARG . 15652 1
70 . SER . 15652 1
71 . ALA . 15652 1
72 . ASP . 15652 1
73 . TYR . 15652 1
74 . GLY . 15652 1
75 . THR . 15652 1
76 . GLN . 15652 1
77 . CYS . 15652 1
78 . PHE . 15652 1
79 . TRP . 15652 1
80 . ILE . 15652 1
81 . LEU . 15652 1
82 . ARG . 15652 1
83 . THR . 15652 1
84 . ASP . 15652 1
85 . GLY . 15652 1
86 . SER . 15652 1
87 . GLU . 15652 1
88 . GLU . 15652 1
89 . ARG . 15652 1
90 . PHE . 15652 1
91 . SER . 15652 1
92 . TYR . 15652 1
93 . LYS . 15652 1
94 . LYS . 15652 1
95 . CYS . 15652 1
96 . VAL . 15652 1
97 . LEU . 15652 1
98 . GLU . 15652 1
99 . HIS . 15652 1
100 . HIS . 15652 1
101 . HIS . 15652 1
102 . HIS . 15652 1
103 . HIS . 15652 1
104 . HIS . 15652 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 15652 1
. ALA 2 2 15652 1
. LYS 3 3 15652 1
. ALA 4 4 15652 1
. GLN 5 5 15652 1
. PRO 6 6 15652 1
. ILE 7 7 15652 1
. GLU 8 8 15652 1
. ILE 9 9 15652 1
. ALA 10 10 15652 1
. GLY 11 11 15652 1
. HIS 12 12 15652 1
. GLU 13 13 15652 1
. PHE 14 14 15652 1
. ALA 15 15 15652 1
. ARG 16 16 15652 1
. LYS 17 17 15652 1
. ALA 18 18 15652 1
. ASP 19 19 15652 1
. ALA 20 20 15652 1
. LEU 21 21 15652 1
. ALA 22 22 15652 1
. PHE 23 23 15652 1
. MET 24 24 15652 1
. LYS 25 25 15652 1
. VAL 26 26 15652 1
. MET 27 27 15652 1
. LEU 28 28 15652 1
. ASN 29 29 15652 1
. ARG 30 30 15652 1
. TYR 31 31 15652 1
. ARG 32 32 15652 1
. PRO 33 33 15652 1
. GLY 34 34 15652 1
. ASP 35 35 15652 1
. ILE 36 36 15652 1
. VAL 37 37 15652 1
. SER 38 38 15652 1
. THR 39 39 15652 1
. VAL 40 40 15652 1
. ASP 41 41 15652 1
. GLY 42 42 15652 1
. ALA 43 43 15652 1
. PHE 44 44 15652 1
. LEU 45 45 15652 1
. VAL 46 46 15652 1
. GLU 47 47 15652 1
. ALA 48 48 15652 1
. LEU 49 49 15652 1
. LYS 50 50 15652 1
. ARG 51 51 15652 1
. HIS 52 52 15652 1
. PRO 53 53 15652 1
. ASP 54 54 15652 1
. ALA 55 55 15652 1
. THR 56 56 15652 1
. SER 57 57 15652 1
. LYS 58 58 15652 1
. ILE 59 59 15652 1
. GLY 60 60 15652 1
. PRO 61 61 15652 1
. GLY 62 62 15652 1
. VAL 63 63 15652 1
. ARG 64 64 15652 1
. ASN 65 65 15652 1
. PHE 66 66 15652 1
. GLU 67 67 15652 1
. VAL 68 68 15652 1
. ARG 69 69 15652 1
. SER 70 70 15652 1
. ALA 71 71 15652 1
. ASP 72 72 15652 1
. TYR 73 73 15652 1
. GLY 74 74 15652 1
. THR 75 75 15652 1
. GLN 76 76 15652 1
. CYS 77 77 15652 1
. PHE 78 78 15652 1
. TRP 79 79 15652 1
. ILE 80 80 15652 1
. LEU 81 81 15652 1
. ARG 82 82 15652 1
. THR 83 83 15652 1
. ASP 84 84 15652 1
. GLY 85 85 15652 1
. SER 86 86 15652 1
. GLU 87 87 15652 1
. GLU 88 88 15652 1
. ARG 89 89 15652 1
. PHE 90 90 15652 1
. SER 91 91 15652 1
. TYR 92 92 15652 1
. LYS 93 93 15652 1
. LYS 94 94 15652 1
. CYS 95 95 15652 1
. VAL 96 96 15652 1
. LEU 97 97 15652 1
. GLU 98 98 15652 1
. HIS 99 99 15652 1
. HIS 100 100 15652 1
. HIS 101 101 15652 1
. HIS 102 102 15652 1
. HIS 103 103 15652 1
. HIS 104 104 15652 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 15652
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Details
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $RrR43 . 1085 organism . 'Rhodospirillum rubrum' 'Rhodospirillum rubrum' . . Bacteria . Rhodospirillum rubrum 'ATCC 11170 / NCIB 8255' . . . . . . . . . . Rru_A0810 . 15652 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 15652
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Details
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $RrR43 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)+Magic . . . . . 'pET 21-23C' . . . 15652 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 15652
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details RrR43.004
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 RrR43 '[U-5% 13C; U-100% 15N]' . . 1 $RrR43 . . 1.15 . . mM . . . . 15652 1
2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15652 1
3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15652 1
4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15652 1
5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15652 1
6 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 15652 1
7 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15652 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 15652
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details RrR43.002
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 RrR43 '[U-100% 13C; U-100% 15N]' . . 1 $RrR43 . . 1.05 . . mM . . . . 15652 2
2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15652 2
3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15652 2
4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15652 2
5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15652 2
6 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 15652 2
7 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15652 2
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 15652
_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 15652 1
pH 6.5 . pH 15652 1
pressure 1 . atm 15652 1
temperature 298 . K 15652 1
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 15652
_Software.ID 1
_Software.Type .
_Software.Name CYANA
_Software.Version 2.1
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 15652 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 15652 1
stop_
save_
save_AutoAssign
_Software.Sf_category software
_Software.Sf_framecode AutoAssign
_Software.Entry_ID 15652
_Software.ID 2
_Software.Type .
_Software.Name AutoAssign
_Software.Version 2.4.0
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Zimmerman, Moseley, Kulikowski and Montelione' . . 15652 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 15652 2
stop_
save_
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 15652
_Software.ID 3
_Software.Type .
_Software.Name CNS
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15652 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'geometry optimization' 15652 3
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 15652
_Software.ID 4
_Software.Type .
_Software.Name NMRPipe
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15652 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 15652 4
stop_
save_
save_PSVS
_Software.Sf_category software
_Software.Sf_framecode PSVS
_Software.Entry_ID 15652
_Software.ID 5
_Software.Type .
_Software.Name PSVS
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bhattacharya and Montelione' . . 15652 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
validation 15652 5
stop_
save_
save_TALOS
_Software.Sf_category software
_Software.Sf_framecode TALOS
_Software.Entry_ID 15652
_Software.ID 6
_Software.Type .
_Software.Name TALOS
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Cornilescu, Delaglio and Bax' . . 15652 6
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'geometry optimization' 15652 6
stop_
save_
save_TOPSPIN
_Software.Sf_category software
_Software.Sf_framecode TOPSPIN
_Software.Entry_ID 15652
_Software.ID 7
_Software.Type .
_Software.Name TOPSPIN
_Software.Version 1.3
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bruker Biospin' . . 15652 7
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 15652 7
stop_
save_
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 15652
_Software.ID 8
_Software.Type .
_Software.Name SPARKY
_Software.Version 3.112
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 15652 8
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 15652 8
stop_
save_
save_Molmol
_Software.Sf_category software
_Software.Sf_framecode Molmol
_Software.Entry_ID 15652
_Software.ID 9
_Software.Type .
_Software.Name Molmol
_Software.Version 2k2
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Koradi, Billeter and Wuthrich' . . 15652 9
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
visualization 15652 9
stop_
save_
save_ProcheckNMR
_Software.Sf_category software
_Software.Sf_framecode ProcheckNMR
_Software.Entry_ID 15652
_Software.ID 10
_Software.Type .
_Software.Name ProcheckNMR
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Laskowski and MacArthur' . . 15652 10
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 15652 10
stop_
save_
save_Molprobity
_Software.Sf_category software
_Software.Sf_framecode Molprobity
_Software.Entry_ID 15652
_Software.ID 11
_Software.Type .
_Software.Name MolProbity
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Richardson . . 15652 11
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
validation 15652 11
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 15652
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 15652
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker Avance . 800 . . . 15652 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 15652
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' yes 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1
2 '2D 1H-13C HSQC (aliph)' yes 2 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1
3 '3D HNCO' yes 3 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1
4 '3D HNCA' yes 4 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1
5 '3D HNCACB' yes 5 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1
6 '3D HBHA(CO)NH' yes 6 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1
7 '3D HCCH-COSY' yes 7 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1
8 '3D HCCH-TOCSY' yes 8 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1
9 '3D CCH-TOCSY' yes 9 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1
10 '3D CBCA(CO)NH' yes 10 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1
11 '3D 1H-15N NOESY' yes 11 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1
12 '3D 1H-13C NOESY (aliph)' yes 12 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1
13 '2D 1H-13C HSQC (stereomethyl)' yes 13 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1
14 '2D 1H-13C HSQC (arom)' yes 14 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1
15 '3D 1H-13C NOESY (arom)' yes 15 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15652 1
stop_
save_
save_NMR_spectrometer_expt_1
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1
_NMR_spec_expt.Entry_ID 15652
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name '2D 1H-15N HSQC'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_1
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
. 'NMR Experiment Directory'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_hsqc/
;
. . . . . . . 15652 1
acqus 'acquisition parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_hsqc/
;
. . . . . . . 15652 1
procs 'processing parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_hsqc/pdata/1/
;
. . . . . . . 15652 1
pulseprogram 'pulse program'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_hsqc/
;
. . . . . . . 15652 1
ser 'raw spectral data'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_hsqc/
;
. . . . . . . 15652 1
stop_
save_
save_NMR_spectrometer_expt_2
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2
_NMR_spec_expt.Entry_ID 15652
_NMR_spec_expt.ID 2
_NMR_spec_expt.Name '2D 1H-13C HSQC (aliph)'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_1
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
. 'NMR Experiment Directory'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc/
;
. . . . . . . 15652 2
acqus 'acquisition parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc/
;
. . . . . . . 15652 2
procs 'processing parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc/pdata/1/
;
. . . . . . . 15652 2
pulseprogram 'pulse program'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc/
;
. . . . . . . 15652 2
ser 'raw spectral data'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc/
;
. . . . . . . 15652 2
stop_
save_
save_NMR_spectrometer_expt_3
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3
_NMR_spec_expt.Entry_ID 15652
_NMR_spec_expt.ID 3
_NMR_spec_expt.Name '3D HNCO'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_1
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
. 'NMR Experiment Directory'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCO/
;
. . . . . . . 15652 3
acqus 'acquisition parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCO/
;
. . . . . . . 15652 3
procs 'processing parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCO/pdata/1/
;
. . . . . . . 15652 3
pulseprogram 'pulse program'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCO/
;
. . . . . . . 15652 3
ser 'raw spectral data'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCO/
;
. . . . . . . 15652 3
stop_
save_
save_NMR_spectrometer_expt_4
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4
_NMR_spec_expt.Entry_ID 15652
_NMR_spec_expt.ID 4
_NMR_spec_expt.Name '3D HNCA'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_1
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
. 'NMR Experiment Directory'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCA/
;
. . . . . . . 15652 4
acqus 'acquisition parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCA/
;
. . . . . . . 15652 4
procs 'processing parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCA/pdata/1/
;
. . . . . . . 15652 4
pulseprogram 'pulse program'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCA/
;
. . . . . . . 15652 4
ser 'raw spectral data'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCA/
;
. . . . . . . 15652 4
stop_
save_
save_NMR_spectrometer_expt_5
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5
_NMR_spec_expt.Entry_ID 15652
_NMR_spec_expt.ID 5
_NMR_spec_expt.Name '3D HNCACB'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_1
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
. 'NMR Experiment Directory'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCACB/
;
. . . . . . . 15652 5
acqus 'acquisition parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCACB/
;
. . . . . . . 15652 5
procs 'processing parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCACB/pdata/1/
;
. . . . . . . 15652 5
pulseprogram 'pulse program'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCACB/
;
. . . . . . . 15652 5
ser 'raw spectral data'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HNCACB/
;
. . . . . . . 15652 5
stop_
save_
save_NMR_spectrometer_expt_6
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6
_NMR_spec_expt.Entry_ID 15652
_NMR_spec_expt.ID 6
_NMR_spec_expt.Name '3D HBHA(CO)NH'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_1
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
. 'NMR Experiment Directory'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hbhaconh/
;
. . . . . . . 15652 6
acqus 'acquisition parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hbhaconh/
;
. . . . . . . 15652 6
procs 'processing parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hbhaconh/pdata/1/
;
. . . . . . . 15652 6
pulseprogram 'pulse program'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hbhaconh/
;
. . . . . . . 15652 6
ser 'raw spectral data'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hbhaconh/
;
. . . . . . . 15652 6
stop_
save_
save_NMR_spectrometer_expt_7
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7
_NMR_spec_expt.Entry_ID 15652
_NMR_spec_expt.ID 7
_NMR_spec_expt.Name '3D HCCH-COSY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_1
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
. 'NMR Experiment Directory'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hcchcosy3d/
;
. . . . . . . 15652 7
acqus 'acquisition parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hcchcosy3d/
;
. . . . . . . 15652 7
procs 'processing parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hcchcosy3d/pdata/1/
;
. . . . . . . 15652 7
pulseprogram 'pulse program'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hcchcosy3d/
;
. . . . . . . 15652 7
ser 'raw spectral data'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/hcchcosy3d/
;
. . . . . . . 15652 7
stop_
save_
save_NMR_spectrometer_expt_8
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8
_NMR_spec_expt.Entry_ID 15652
_NMR_spec_expt.ID 8
_NMR_spec_expt.Name '3D HCCH-TOCSY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_1
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
. 'NMR Experiment Directory'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HCCH_TOCSY/
;
. . . . . . . 15652 8
acqus 'acquisition parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HCCH_TOCSY/
;
. . . . . . . 15652 8
procs 'processing parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HCCH_TOCSY/pdata/1/
;
. . . . . . . 15652 8
pulseprogram 'pulse program'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HCCH_TOCSY/
;
. . . . . . . 15652 8
ser 'raw spectral data'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/HCCH_TOCSY/
;
. . . . . . . 15652 8
stop_
save_
save_NMR_spectrometer_expt_9
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9
_NMR_spec_expt.Entry_ID 15652
_NMR_spec_expt.ID 9
_NMR_spec_expt.Name '3D CCH-TOCSY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_1
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
. 'NMR Experiment Directory'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cch_tocsy3d/
;
. . . . . . . 15652 9
acqus 'acquisition parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cch_tocsy3d/
;
. . . . . . . 15652 9
procs 'processing parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cch_tocsy3d/pdata/1/
;
. . . . . . . 15652 9
pulseprogram 'pulse program'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cch_tocsy3d/
;
. . . . . . . 15652 9
ser 'raw spectral data'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cch_tocsy3d/
;
. . . . . . . 15652 9
stop_
save_
save_NMR_spectrometer_expt_10
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10
_NMR_spec_expt.Entry_ID 15652
_NMR_spec_expt.ID 10
_NMR_spec_expt.Name '3D CBCA(CO)NH'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_1
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
. 'NMR Experiment Directory'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cbcaconh/
;
. . . . . . . 15652 10
acqus 'acquisition parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cbcaconh/
;
. . . . . . . 15652 10
procs 'processing parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cbcaconh/pdata/1/
;
. . . . . . . 15652 10
pulseprogram 'pulse program'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cbcaconh/
;
. . . . . . . 15652 10
ser 'raw spectral data'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/cbcaconh/
;
. . . . . . . 15652 10
stop_
save_
save_NMR_spectrometer_expt_11
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11
_NMR_spec_expt.Entry_ID 15652
_NMR_spec_expt.ID 11
_NMR_spec_expt.Name '3D 1H-15N NOESY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_1
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
. 'NMR Experiment Directory'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_noesy/
;
. . . . . . . 15652 11
acqus 'acquisition parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_noesy/
;
. . . . . . . 15652 11
procs 'processing parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_noesy/pdata/1/
;
. . . . . . . 15652 11
pulseprogram 'pulse program'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_noesy/
;
. . . . . . . 15652 11
ser 'raw spectral data'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/N_noesy/
;
. . . . . . . 15652 11
stop_
save_
save_NMR_spectrometer_expt_12
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12
_NMR_spec_expt.Entry_ID 15652
_NMR_spec_expt.ID 12
_NMR_spec_expt.Name '3D 1H-13C NOESY (aliph)'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_1
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
. 'NMR Experiment Directory'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy/
;
. . . . . . . 15652 12
acqus 'acquisition parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy/
;
. . . . . . . 15652 12
procs 'processing parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy/pdata/1/
;
. . . . . . . 15652 12
pulseprogram 'pulse program'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy/
;
. . . . . . . 15652 12
ser 'raw spectral data'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy/
;
. . . . . . . 15652 12
stop_
save_
save_NMR_spectrometer_expt_13
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13
_NMR_spec_expt.Entry_ID 15652
_NMR_spec_expt.ID 13
_NMR_spec_expt.Name '2D 1H-13C HSQC (stereomethyl)'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_1
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
. 'NMR Experiment Directory'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.004_NC5_011608/stereomethyl/
;
. . . . . . . 15652 13
acqus 'acquisition parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.004_NC5_011608/stereomethyl/
;
. . . . . . . 15652 13
procs 'processing parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.004_NC5_011608/stereomethyl/pdata/1/
;
. . . . . . . 15652 13
pulseprogram 'pulse program'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.004_NC5_011608/stereomethyl/
;
. . . . . . . 15652 13
ser 'raw spectral data'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.004_NC5_011608/stereomethyl/
;
. . . . . . . 15652 13
stop_
save_
save_NMR_spectrometer_expt_14
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14
_NMR_spec_expt.Entry_ID 15652
_NMR_spec_expt.ID 14
_NMR_spec_expt.Name '2D 1H-13C HSQC (arom)'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_1
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
. 'NMR Experiment Directory'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc_arom_CT/
;
. . . . . . . 15652 14
acqus 'acquisition parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc_arom_CT/
;
. . . . . . . 15652 14
procs 'processing parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc_arom_CT/pdata/1/
;
. . . . . . . 15652 14
pulseprogram 'pulse program'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc_arom_CT/
;
. . . . . . . 15652 14
ser 'raw spectral data'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/CH_hsqc_arom_CT/
;
. . . . . . . 15652 14
stop_
save_
save_NMR_spectrometer_expt_15
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_15
_NMR_spec_expt.Entry_ID 15652
_NMR_spec_expt.ID 15
_NMR_spec_expt.Name '3D 1H-13C NOESY (arom)'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_1
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
. 'NMR Experiment Directory'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy_arom/
;
. . . . . . . 15652 15
acqus 'acquisition parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy_arom/
;
. . . . . . . 15652 15
procs 'processing parameters'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy_arom/pdata/1/
;
. . . . . . . 15652 15
pulseprogram 'pulse program'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy_arom/
;
. . . . . . . 15652 15
ser 'raw spectral data'
;
http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15652/timedomain_data/15652_RrR43_data/RrR43.002_NC_011608/C13_noesy_arom/
;
. . . . . . . 15652 15
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 15652
_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.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . 15652 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . 15652 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 15652 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15652
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
3 '3D HNCO' . . . 15652 1
11 '3D 1H-15N NOESY' . . . 15652 1
12 '3D 1H-13C NOESY (aliph)' . . . 15652 1
15 '3D 1H-13C NOESY (arom)' . . . 15652 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
8 $SPARKY . . 15652 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.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 ALA HA H 1 4.102 0.03 . 1 . . . . . 2 ALA HA . 15652 1
2 . 1 1 2 2 ALA HB1 H 1 1.525 0.03 . 1 . . . . . 2 ALA HB . 15652 1
3 . 1 1 2 2 ALA HB2 H 1 1.525 0.03 . 1 . . . . . 2 ALA HB . 15652 1
4 . 1 1 2 2 ALA HB3 H 1 1.525 0.03 . 1 . . . . . 2 ALA HB . 15652 1
5 . 1 1 2 2 ALA CA C 13 51.775 0.3 . 1 . . . . . 2 ALA CA . 15652 1
6 . 1 1 2 2 ALA CB C 13 19.665 0.3 . 1 . . . . . 2 ALA CB . 15652 1
7 . 1 1 3 3 LYS HA H 1 4.329 0.03 . 1 . . . . . 3 LYS HA . 15652 1
8 . 1 1 3 3 LYS HB2 H 1 1.813 0.03 . 2 . . . . . 3 LYS HB2 . 15652 1
9 . 1 1 3 3 LYS HB3 H 1 1.785 0.03 . 2 . . . . . 3 LYS HB3 . 15652 1
10 . 1 1 3 3 LYS HD2 H 1 1.704 0.03 . 2 . . . . . 3 LYS HD2 . 15652 1
11 . 1 1 3 3 LYS HE2 H 1 3.011 0.03 . 2 . . . . . 3 LYS HE2 . 15652 1
12 . 1 1 3 3 LYS HE3 H 1 3.011 0.03 . 2 . . . . . 3 LYS HE3 . 15652 1
13 . 1 1 3 3 LYS HG2 H 1 1.465 0.03 . 2 . . . . . 3 LYS HG2 . 15652 1
14 . 1 1 3 3 LYS HG3 H 1 1.467 0.03 . 2 . . . . . 3 LYS HG3 . 15652 1
15 . 1 1 3 3 LYS C C 13 176.086 0.3 . 1 . . . . . 3 LYS C . 15652 1
16 . 1 1 3 3 LYS CA C 13 56.354 0.3 . 1 . . . . . 3 LYS CA . 15652 1
17 . 1 1 3 3 LYS CB C 13 33.325 0.3 . 1 . . . . . 3 LYS CB . 15652 1
18 . 1 1 3 3 LYS CD C 13 29.251 0.3 . 1 . . . . . 3 LYS CD . 15652 1
19 . 1 1 3 3 LYS CE C 13 42.183 0.3 . 1 . . . . . 3 LYS CE . 15652 1
20 . 1 1 3 3 LYS CG C 13 24.707 0.3 . 1 . . . . . 3 LYS CG . 15652 1
21 . 1 1 4 4 ALA H H 1 8.515 0.03 . 1 . . . . . 4 ALA H . 15652 1
22 . 1 1 4 4 ALA HA H 1 4.356 0.03 . 1 . . . . . 4 ALA HA . 15652 1
23 . 1 1 4 4 ALA HB1 H 1 1.417 0.03 . 1 . . . . . 4 ALA HB . 15652 1
24 . 1 1 4 4 ALA HB2 H 1 1.417 0.03 . 1 . . . . . 4 ALA HB . 15652 1
25 . 1 1 4 4 ALA HB3 H 1 1.417 0.03 . 1 . . . . . 4 ALA HB . 15652 1
26 . 1 1 4 4 ALA C C 13 177.307 0.3 . 1 . . . . . 4 ALA C . 15652 1
27 . 1 1 4 4 ALA CA C 13 52.316 0.3 . 1 . . . . . 4 ALA CA . 15652 1
28 . 1 1 4 4 ALA CB C 13 19.421 0.3 . 1 . . . . . 4 ALA CB . 15652 1
29 . 1 1 4 4 ALA N N 15 126.866 0.3 . 1 . . . . . 4 ALA N . 15652 1
30 . 1 1 5 5 GLN H H 1 8.521 0.03 . 1 . . . . . 5 GLN H . 15652 1
31 . 1 1 5 5 GLN HA H 1 4.652 0.03 . 1 . . . . . 5 GLN HA . 15652 1
32 . 1 1 5 5 GLN HB2 H 1 2.067 0.03 . 2 . . . . . 5 GLN HB2 . 15652 1
33 . 1 1 5 5 GLN HB3 H 1 1.920 0.03 . 2 . . . . . 5 GLN HB3 . 15652 1
34 . 1 1 5 5 GLN HE21 H 1 7.572 0.03 . 1 . . . . . 5 GLN HE21 . 15652 1
35 . 1 1 5 5 GLN HE22 H 1 6.879 0.03 . 1 . . . . . 5 GLN HE22 . 15652 1
36 . 1 1 5 5 GLN HG2 H 1 2.379 0.03 . 2 . . . . . 5 GLN HG2 . 15652 1
37 . 1 1 5 5 GLN HG3 H 1 2.379 0.03 . 2 . . . . . 5 GLN HG3 . 15652 1
38 . 1 1 5 5 GLN C C 13 173.576 0.3 . 1 . . . . . 5 GLN C . 15652 1
39 . 1 1 5 5 GLN CA C 13 53.470 0.3 . 1 . . . . . 5 GLN CA . 15652 1
40 . 1 1 5 5 GLN CB C 13 29.457 0.3 . 1 . . . . . 5 GLN CB . 15652 1
41 . 1 1 5 5 GLN CG C 13 33.603 0.3 . 1 . . . . . 5 GLN CG . 15652 1
42 . 1 1 5 5 GLN N N 15 122.182 0.3 . 1 . . . . . 5 GLN N . 15652 1
43 . 1 1 5 5 GLN NE2 N 15 112.508 0.3 . 1 . . . . . 5 GLN NE2 . 15652 1
44 . 1 1 6 6 PRO HA H 1 4.587 0.03 . 1 . . . . . 6 PRO HA . 15652 1
45 . 1 1 6 6 PRO HB2 H 1 2.194 0.03 . 2 . . . . . 6 PRO HB2 . 15652 1
46 . 1 1 6 6 PRO HB3 H 1 1.725 0.03 . 2 . . . . . 6 PRO HB3 . 15652 1
47 . 1 1 6 6 PRO HD2 H 1 3.751 0.03 . 2 . . . . . 6 PRO HD2 . 15652 1
48 . 1 1 6 6 PRO HD3 H 1 3.690 0.03 . 2 . . . . . 6 PRO HD3 . 15652 1
49 . 1 1 6 6 PRO HG2 H 1 1.952 0.03 . 2 . . . . . 6 PRO HG2 . 15652 1
50 . 1 1 6 6 PRO HG3 H 1 1.907 0.03 . 2 . . . . . 6 PRO HG3 . 15652 1
51 . 1 1 6 6 PRO C C 13 176.481 0.3 . 1 . . . . . 6 PRO C . 15652 1
52 . 1 1 6 6 PRO CA C 13 63.028 0.3 . 1 . . . . . 6 PRO CA . 15652 1
53 . 1 1 6 6 PRO CB C 13 32.905 0.3 . 1 . . . . . 6 PRO CB . 15652 1
54 . 1 1 6 6 PRO CD C 13 50.736 0.3 . 1 . . . . . 6 PRO CD . 15652 1
55 . 1 1 6 6 PRO CG C 13 27.054 0.3 . 1 . . . . . 6 PRO CG . 15652 1
56 . 1 1 7 7 ILE H H 1 8.581 0.03 . 1 . . . . . 7 ILE H . 15652 1
57 . 1 1 7 7 ILE HA H 1 4.245 0.03 . 1 . . . . . 7 ILE HA . 15652 1
58 . 1 1 7 7 ILE HB H 1 1.876 0.03 . 1 . . . . . 7 ILE HB . 15652 1
59 . 1 1 7 7 ILE HD11 H 1 0.721 0.03 . 1 . . . . . 7 ILE HD1 . 15652 1
60 . 1 1 7 7 ILE HD12 H 1 0.721 0.03 . 1 . . . . . 7 ILE HD1 . 15652 1
61 . 1 1 7 7 ILE HD13 H 1 0.721 0.03 . 1 . . . . . 7 ILE HD1 . 15652 1
62 . 1 1 7 7 ILE HG12 H 1 1.539 0.03 . 2 . . . . . 7 ILE HG12 . 15652 1
63 . 1 1 7 7 ILE HG13 H 1 1.053 0.03 . 2 . . . . . 7 ILE HG13 . 15652 1
64 . 1 1 7 7 ILE HG21 H 1 0.864 0.03 . 1 . . . . . 7 ILE HG2 . 15652 1
65 . 1 1 7 7 ILE HG22 H 1 0.864 0.03 . 1 . . . . . 7 ILE HG2 . 15652 1
66 . 1 1 7 7 ILE HG23 H 1 0.864 0.03 . 1 . . . . . 7 ILE HG2 . 15652 1
67 . 1 1 7 7 ILE C C 13 174.129 0.3 . 1 . . . . . 7 ILE C . 15652 1
68 . 1 1 7 7 ILE CA C 13 60.613 0.3 . 1 . . . . . 7 ILE CA . 15652 1
69 . 1 1 7 7 ILE CB C 13 40.266 0.3 . 1 . . . . . 7 ILE CB . 15652 1
70 . 1 1 7 7 ILE CD1 C 13 13.916 0.3 . 1 . . . . . 7 ILE CD1 . 15652 1
71 . 1 1 7 7 ILE CG1 C 13 27.605 0.3 . 1 . . . . . 7 ILE CG1 . 15652 1
72 . 1 1 7 7 ILE CG2 C 13 17.505 0.3 . 1 . . . . . 7 ILE CG2 . 15652 1
73 . 1 1 7 7 ILE N N 15 120.418 0.3 . 1 . . . . . 7 ILE N . 15652 1
74 . 1 1 8 8 GLU H H 1 8.572 0.03 . 1 . . . . . 8 GLU H . 15652 1
75 . 1 1 8 8 GLU HA H 1 5.363 0.03 . 1 . . . . . 8 GLU HA . 15652 1
76 . 1 1 8 8 GLU HB2 H 1 1.986 0.03 . 2 . . . . . 8 GLU HB2 . 15652 1
77 . 1 1 8 8 GLU HB3 H 1 1.812 0.03 . 2 . . . . . 8 GLU HB3 . 15652 1
78 . 1 1 8 8 GLU HG2 H 1 2.131 0.03 . 2 . . . . . 8 GLU HG2 . 15652 1
79 . 1 1 8 8 GLU HG3 H 1 1.829 0.03 . 2 . . . . . 8 GLU HG3 . 15652 1
80 . 1 1 8 8 GLU C C 13 175.806 0.3 . 1 . . . . . 8 GLU C . 15652 1
81 . 1 1 8 8 GLU CA C 13 54.749 0.3 . 1 . . . . . 8 GLU CA . 15652 1
82 . 1 1 8 8 GLU CB C 13 31.505 0.3 . 1 . . . . . 8 GLU CB . 15652 1
83 . 1 1 8 8 GLU CG C 13 36.104 0.3 . 1 . . . . . 8 GLU CG . 15652 1
84 . 1 1 8 8 GLU N N 15 128.440 0.3 . 1 . . . . . 8 GLU N . 15652 1
85 . 1 1 9 9 ILE H H 1 8.591 0.03 . 1 . . . . . 9 ILE H . 15652 1
86 . 1 1 9 9 ILE HA H 1 4.111 0.03 . 1 . . . . . 9 ILE HA . 15652 1
87 . 1 1 9 9 ILE HB H 1 1.701 0.03 . 1 . . . . . 9 ILE HB . 15652 1
88 . 1 1 9 9 ILE HD11 H 1 0.669 0.03 . 1 . . . . . 9 ILE HD1 . 15652 1
89 . 1 1 9 9 ILE HD12 H 1 0.669 0.03 . 1 . . . . . 9 ILE HD1 . 15652 1
90 . 1 1 9 9 ILE HD13 H 1 0.669 0.03 . 1 . . . . . 9 ILE HD1 . 15652 1
91 . 1 1 9 9 ILE HG12 H 1 1.508 0.03 . 2 . . . . . 9 ILE HG12 . 15652 1
92 . 1 1 9 9 ILE HG13 H 1 0.827 0.03 . 2 . . . . . 9 ILE HG13 . 15652 1
93 . 1 1 9 9 ILE HG21 H 1 0.126 0.03 . 1 . . . . . 9 ILE HG2 . 15652 1
94 . 1 1 9 9 ILE HG22 H 1 0.126 0.03 . 1 . . . . . 9 ILE HG2 . 15652 1
95 . 1 1 9 9 ILE HG23 H 1 0.126 0.03 . 1 . . . . . 9 ILE HG2 . 15652 1
96 . 1 1 9 9 ILE C C 13 174.977 0.3 . 1 . . . . . 9 ILE C . 15652 1
97 . 1 1 9 9 ILE CA C 13 60.967 0.3 . 1 . . . . . 9 ILE CA . 15652 1
98 . 1 1 9 9 ILE CB C 13 41.559 0.3 . 1 . . . . . 9 ILE CB . 15652 1
99 . 1 1 9 9 ILE CD1 C 13 13.382 0.3 . 1 . . . . . 9 ILE CD1 . 15652 1
100 . 1 1 9 9 ILE CG1 C 13 27.368 0.3 . 1 . . . . . 9 ILE CG1 . 15652 1
101 . 1 1 9 9 ILE CG2 C 13 17.426 0.3 . 1 . . . . . 9 ILE CG2 . 15652 1
102 . 1 1 9 9 ILE N N 15 123.957 0.3 . 1 . . . . . 9 ILE N . 15652 1
103 . 1 1 10 10 ALA H H 1 9.398 0.03 . 1 . . . . . 10 ALA H . 15652 1
104 . 1 1 10 10 ALA HA H 1 4.072 0.03 . 1 . . . . . 10 ALA HA . 15652 1
105 . 1 1 10 10 ALA HB1 H 1 1.454 0.03 . 1 . . . . . 10 ALA HB . 15652 1
106 . 1 1 10 10 ALA HB2 H 1 1.454 0.03 . 1 . . . . . 10 ALA HB . 15652 1
107 . 1 1 10 10 ALA HB3 H 1 1.454 0.03 . 1 . . . . . 10 ALA HB . 15652 1
108 . 1 1 10 10 ALA C C 13 177.026 0.3 . 1 . . . . . 10 ALA C . 15652 1
109 . 1 1 10 10 ALA CA C 13 52.646 0.3 . 1 . . . . . 10 ALA CA . 15652 1
110 . 1 1 10 10 ALA CB C 13 18.121 0.3 . 1 . . . . . 10 ALA CB . 15652 1
111 . 1 1 10 10 ALA N N 15 130.074 0.3 . 1 . . . . . 10 ALA N . 15652 1
112 . 1 1 11 11 GLY H H 1 8.958 0.03 . 1 . . . . . 11 GLY H . 15652 1
113 . 1 1 11 11 GLY HA2 H 1 4.046 0.03 . 2 . . . . . 11 GLY HA2 . 15652 1
114 . 1 1 11 11 GLY HA3 H 1 3.570 0.03 . 2 . . . . . 11 GLY HA3 . 15652 1
115 . 1 1 11 11 GLY C C 13 174.139 0.3 . 1 . . . . . 11 GLY C . 15652 1
116 . 1 1 11 11 GLY CA C 13 45.467 0.3 . 1 . . . . . 11 GLY CA . 15652 1
117 . 1 1 11 11 GLY N N 15 105.460 0.3 . 1 . . . . . 11 GLY N . 15652 1
118 . 1 1 12 12 HIS H H 1 8.189 0.03 . 1 . . . . . 12 HIS H . 15652 1
119 . 1 1 12 12 HIS HA H 1 4.325 0.03 . 1 . . . . . 12 HIS HA . 15652 1
120 . 1 1 12 12 HIS HB2 H 1 3.145 0.03 . 2 . . . . . 12 HIS HB2 . 15652 1
121 . 1 1 12 12 HIS HB3 H 1 2.258 0.03 . 2 . . . . . 12 HIS HB3 . 15652 1
122 . 1 1 12 12 HIS HD2 H 1 7.093 0.03 . 1 . . . . . 12 HIS HD2 . 15652 1
123 . 1 1 12 12 HIS HE1 H 1 8.450 0.03 . 1 . . . . . 12 HIS HE1 . 15652 1
124 . 1 1 12 12 HIS C C 13 173.060 0.3 . 1 . . . . . 12 HIS C . 15652 1
125 . 1 1 12 12 HIS CA C 13 54.628 0.3 . 1 . . . . . 12 HIS CA . 15652 1
126 . 1 1 12 12 HIS CB C 13 30.432 0.3 . 1 . . . . . 12 HIS CB . 15652 1
127 . 1 1 12 12 HIS CD2 C 13 120.709 0.3 . 1 . . . . . 12 HIS CD2 . 15652 1
128 . 1 1 12 12 HIS CE1 C 13 136.779 0.3 . 1 . . . . . 12 HIS CE1 . 15652 1
129 . 1 1 12 12 HIS N N 15 120.216 0.3 . 1 . . . . . 12 HIS N . 15652 1
130 . 1 1 13 13 GLU H H 1 8.338 0.03 . 1 . . . . . 13 GLU H . 15652 1
131 . 1 1 13 13 GLU HA H 1 4.659 0.03 . 1 . . . . . 13 GLU HA . 15652 1
132 . 1 1 13 13 GLU HB2 H 1 1.741 0.03 . 2 . . . . . 13 GLU HB2 . 15652 1
133 . 1 1 13 13 GLU HB3 H 1 1.741 0.03 . 2 . . . . . 13 GLU HB3 . 15652 1
134 . 1 1 13 13 GLU HG2 H 1 2.047 0.03 . 2 . . . . . 13 GLU HG2 . 15652 1
135 . 1 1 13 13 GLU HG3 H 1 1.870 0.03 . 2 . . . . . 13 GLU HG3 . 15652 1
136 . 1 1 13 13 GLU C C 13 175.231 0.3 . 1 . . . . . 13 GLU C . 15652 1
137 . 1 1 13 13 GLU CA C 13 55.147 0.3 . 1 . . . . . 13 GLU CA . 15652 1
138 . 1 1 13 13 GLU CB C 13 31.218 0.3 . 1 . . . . . 13 GLU CB . 15652 1
139 . 1 1 13 13 GLU CG C 13 36.844 0.3 . 1 . . . . . 13 GLU CG . 15652 1
140 . 1 1 13 13 GLU N N 15 122.925 0.3 . 1 . . . . . 13 GLU N . 15652 1
141 . 1 1 14 14 PHE H H 1 9.117 0.03 . 1 . . . . . 14 PHE H . 15652 1
142 . 1 1 14 14 PHE HA H 1 4.941 0.03 . 1 . . . . . 14 PHE HA . 15652 1
143 . 1 1 14 14 PHE HB2 H 1 3.143 0.03 . 2 . . . . . 14 PHE HB2 . 15652 1
144 . 1 1 14 14 PHE HB3 H 1 2.806 0.03 . 2 . . . . . 14 PHE HB3 . 15652 1
145 . 1 1 14 14 PHE HD1 H 1 7.111 0.03 . 3 . . . . . 14 PHE HD1 . 15652 1
146 . 1 1 14 14 PHE HD2 H 1 7.114 0.03 . 3 . . . . . 14 PHE HD2 . 15652 1
147 . 1 1 14 14 PHE HE1 H 1 7.059 0.03 . 3 . . . . . 14 PHE HE1 . 15652 1
148 . 1 1 14 14 PHE HE2 H 1 7.059 0.03 . 3 . . . . . 14 PHE HE2 . 15652 1
149 . 1 1 14 14 PHE HZ H 1 5.906 0.03 . 1 . . . . . 14 PHE HZ . 15652 1
150 . 1 1 14 14 PHE C C 13 175.179 0.3 . 1 . . . . . 14 PHE C . 15652 1
151 . 1 1 14 14 PHE CA C 13 56.302 0.3 . 1 . . . . . 14 PHE CA . 15652 1
152 . 1 1 14 14 PHE CB C 13 41.499 0.3 . 1 . . . . . 14 PHE CB . 15652 1
153 . 1 1 14 14 PHE CD1 C 13 132.423 0.3 . 3 . . . . . 14 PHE CD1 . 15652 1
154 . 1 1 14 14 PHE CD2 C 13 132.423 0.3 . 3 . . . . . 14 PHE CD2 . 15652 1
155 . 1 1 14 14 PHE CE1 C 13 131.052 0.3 . 3 . . . . . 14 PHE CE1 . 15652 1
156 . 1 1 14 14 PHE CE2 C 13 131.052 0.3 . 3 . . . . . 14 PHE CE2 . 15652 1
157 . 1 1 14 14 PHE CZ C 13 128.228 0.3 . 1 . . . . . 14 PHE CZ . 15652 1
158 . 1 1 14 14 PHE N N 15 123.141 0.3 . 1 . . . . . 14 PHE N . 15652 1
159 . 1 1 15 15 ALA H H 1 9.393 0.03 . 1 . . . . . 15 ALA H . 15652 1
160 . 1 1 15 15 ALA HA H 1 4.130 0.03 . 1 . . . . . 15 ALA HA . 15652 1
161 . 1 1 15 15 ALA HB1 H 1 1.549 0.03 . 1 . . . . . 15 ALA HB . 15652 1
162 . 1 1 15 15 ALA HB2 H 1 1.549 0.03 . 1 . . . . . 15 ALA HB . 15652 1
163 . 1 1 15 15 ALA HB3 H 1 1.549 0.03 . 1 . . . . . 15 ALA HB . 15652 1
164 . 1 1 15 15 ALA C C 13 177.675 0.3 . 1 . . . . . 15 ALA C . 15652 1
165 . 1 1 15 15 ALA CA C 13 54.880 0.3 . 1 . . . . . 15 ALA CA . 15652 1
166 . 1 1 15 15 ALA CB C 13 18.986 0.3 . 1 . . . . . 15 ALA CB . 15652 1
167 . 1 1 15 15 ALA N N 15 126.102 0.3 . 1 . . . . . 15 ALA N . 15652 1
168 . 1 1 16 16 ARG H H 1 7.756 0.03 . 1 . . . . . 16 ARG H . 15652 1
169 . 1 1 16 16 ARG HA H 1 4.809 0.03 . 1 . . . . . 16 ARG HA . 15652 1
170 . 1 1 16 16 ARG HB2 H 1 2.183 0.03 . 2 . . . . . 16 ARG HB2 . 15652 1
171 . 1 1 16 16 ARG HB3 H 1 1.859 0.03 . 2 . . . . . 16 ARG HB3 . 15652 1
172 . 1 1 16 16 ARG HD2 H 1 3.283 0.03 . 2 . . . . . 16 ARG HD2 . 15652 1
173 . 1 1 16 16 ARG HD3 H 1 3.283 0.03 . 2 . . . . . 16 ARG HD3 . 15652 1
174 . 1 1 16 16 ARG HG2 H 1 1.768 0.03 . 2 . . . . . 16 ARG HG2 . 15652 1
175 . 1 1 16 16 ARG HG3 H 1 1.532 0.03 . 2 . . . . . 16 ARG HG3 . 15652 1
176 . 1 1 16 16 ARG C C 13 177.344 0.3 . 1 . . . . . 16 ARG C . 15652 1
177 . 1 1 16 16 ARG CA C 13 53.409 0.3 . 1 . . . . . 16 ARG CA . 15652 1
178 . 1 1 16 16 ARG CB C 13 33.323 0.3 . 1 . . . . . 16 ARG CB . 15652 1
179 . 1 1 16 16 ARG CD C 13 43.412 0.3 . 1 . . . . . 16 ARG CD . 15652 1
180 . 1 1 16 16 ARG CG C 13 26.389 0.3 . 1 . . . . . 16 ARG CG . 15652 1
181 . 1 1 16 16 ARG N N 15 110.189 0.3 . 1 . . . . . 16 ARG N . 15652 1
182 . 1 1 17 17 LYS H H 1 9.303 0.03 . 1 . . . . . 17 LYS H . 15652 1
183 . 1 1 17 17 LYS HA H 1 3.742 0.03 . 1 . . . . . 17 LYS HA . 15652 1
184 . 1 1 17 17 LYS HB2 H 1 1.927 0.03 . 2 . . . . . 17 LYS HB2 . 15652 1
185 . 1 1 17 17 LYS HB3 H 1 1.838 0.03 . 2 . . . . . 17 LYS HB3 . 15652 1
186 . 1 1 17 17 LYS HD2 H 1 1.757 0.03 . 2 . . . . . 17 LYS HD2 . 15652 1
187 . 1 1 17 17 LYS HD3 H 1 1.757 0.03 . 2 . . . . . 17 LYS HD3 . 15652 1
188 . 1 1 17 17 LYS HE2 H 1 3.030 0.03 . 2 . . . . . 17 LYS HE2 . 15652 1
189 . 1 1 17 17 LYS HE3 H 1 3.030 0.03 . 2 . . . . . 17 LYS HE3 . 15652 1
190 . 1 1 17 17 LYS HG2 H 1 1.544 0.03 . 2 . . . . . 17 LYS HG2 . 15652 1
191 . 1 1 17 17 LYS HG3 H 1 1.365 0.03 . 2 . . . . . 17 LYS HG3 . 15652 1
192 . 1 1 17 17 LYS C C 13 178.667 0.3 . 1 . . . . . 17 LYS C . 15652 1
193 . 1 1 17 17 LYS CA C 13 60.663 0.3 . 1 . . . . . 17 LYS CA . 15652 1
194 . 1 1 17 17 LYS CB C 13 32.005 0.3 . 1 . . . . . 17 LYS CB . 15652 1
195 . 1 1 17 17 LYS CD C 13 29.658 0.3 . 1 . . . . . 17 LYS CD . 15652 1
196 . 1 1 17 17 LYS CE C 13 42.298 0.3 . 1 . . . . . 17 LYS CE . 15652 1
197 . 1 1 17 17 LYS CG C 13 25.526 0.3 . 1 . . . . . 17 LYS CG . 15652 1
198 . 1 1 17 17 LYS N N 15 125.242 0.3 . 1 . . . . . 17 LYS N . 15652 1
199 . 1 1 18 18 ALA H H 1 8.777 0.03 . 1 . . . . . 18 ALA H . 15652 1
200 . 1 1 18 18 ALA HA H 1 4.046 0.03 . 1 . . . . . 18 ALA HA . 15652 1
201 . 1 1 18 18 ALA HB1 H 1 1.429 0.03 . 1 . . . . . 18 ALA HB . 15652 1
202 . 1 1 18 18 ALA HB2 H 1 1.429 0.03 . 1 . . . . . 18 ALA HB . 15652 1
203 . 1 1 18 18 ALA HB3 H 1 1.429 0.03 . 1 . . . . . 18 ALA HB . 15652 1
204 . 1 1 18 18 ALA C C 13 180.134 0.3 . 1 . . . . . 18 ALA C . 15652 1
205 . 1 1 18 18 ALA CA C 13 55.181 0.3 . 1 . . . . . 18 ALA CA . 15652 1
206 . 1 1 18 18 ALA CB C 13 18.633 0.3 . 1 . . . . . 18 ALA CB . 15652 1
207 . 1 1 18 18 ALA N N 15 118.670 0.3 . 1 . . . . . 18 ALA N . 15652 1
208 . 1 1 19 19 ASP H H 1 7.454 0.03 . 1 . . . . . 19 ASP H . 15652 1
209 . 1 1 19 19 ASP HA H 1 4.586 0.03 . 1 . . . . . 19 ASP HA . 15652 1
210 . 1 1 19 19 ASP HB2 H 1 3.180 0.03 . 2 . . . . . 19 ASP HB2 . 15652 1
211 . 1 1 19 19 ASP HB3 H 1 3.105 0.03 . 2 . . . . . 19 ASP HB3 . 15652 1
212 . 1 1 19 19 ASP C C 13 178.469 0.3 . 1 . . . . . 19 ASP C . 15652 1
213 . 1 1 19 19 ASP CA C 13 57.082 0.3 . 1 . . . . . 19 ASP CA . 15652 1
214 . 1 1 19 19 ASP CB C 13 41.304 0.3 . 1 . . . . . 19 ASP CB . 15652 1
215 . 1 1 19 19 ASP N N 15 117.020 0.3 . 1 . . . . . 19 ASP N . 15652 1
216 . 1 1 20 20 ALA H H 1 7.123 0.03 . 1 . . . . . 20 ALA H . 15652 1
217 . 1 1 20 20 ALA HA H 1 2.604 0.03 . 1 . . . . . 20 ALA HA . 15652 1
218 . 1 1 20 20 ALA HB1 H 1 0.914 0.03 . 1 . . . . . 20 ALA HB . 15652 1
219 . 1 1 20 20 ALA HB2 H 1 0.914 0.03 . 1 . . . . . 20 ALA HB . 15652 1
220 . 1 1 20 20 ALA HB3 H 1 0.914 0.03 . 1 . . . . . 20 ALA HB . 15652 1
221 . 1 1 20 20 ALA C C 13 178.706 0.3 . 1 . . . . . 20 ALA C . 15652 1
222 . 1 1 20 20 ALA CA C 13 54.453 0.3 . 1 . . . . . 20 ALA CA . 15652 1
223 . 1 1 20 20 ALA CB C 13 18.199 0.3 . 1 . . . . . 20 ALA CB . 15652 1
224 . 1 1 20 20 ALA N N 15 124.691 0.3 . 1 . . . . . 20 ALA N . 15652 1
225 . 1 1 21 21 LEU H H 1 7.871 0.03 . 1 . . . . . 21 LEU H . 15652 1
226 . 1 1 21 21 LEU HA H 1 4.008 0.03 . 1 . . . . . 21 LEU HA . 15652 1
227 . 1 1 21 21 LEU HB2 H 1 1.865 0.03 . 2 . . . . . 21 LEU HB2 . 15652 1
228 . 1 1 21 21 LEU HB3 H 1 1.733 0.03 . 2 . . . . . 21 LEU HB3 . 15652 1
229 . 1 1 21 21 LEU HD11 H 1 0.951 0.03 . 1 . . . . . 21 LEU HD1 . 15652 1
230 . 1 1 21 21 LEU HD12 H 1 0.951 0.03 . 1 . . . . . 21 LEU HD1 . 15652 1
231 . 1 1 21 21 LEU HD13 H 1 0.951 0.03 . 1 . . . . . 21 LEU HD1 . 15652 1
232 . 1 1 21 21 LEU HD21 H 1 0.983 0.03 . 1 . . . . . 21 LEU HD2 . 15652 1
233 . 1 1 21 21 LEU HD22 H 1 0.983 0.03 . 1 . . . . . 21 LEU HD2 . 15652 1
234 . 1 1 21 21 LEU HD23 H 1 0.983 0.03 . 1 . . . . . 21 LEU HD2 . 15652 1
235 . 1 1 21 21 LEU HG H 1 1.723 0.03 . 1 . . . . . 21 LEU HG . 15652 1
236 . 1 1 21 21 LEU C C 13 179.041 0.3 . 1 . . . . . 21 LEU C . 15652 1
237 . 1 1 21 21 LEU CA C 13 58.398 0.3 . 1 . . . . . 21 LEU CA . 15652 1
238 . 1 1 21 21 LEU CB C 13 41.382 0.3 . 1 . . . . . 21 LEU CB . 15652 1
239 . 1 1 21 21 LEU CD1 C 13 25.576 0.3 . 1 . . . . . 21 LEU CD1 . 15652 1
240 . 1 1 21 21 LEU CD2 C 13 23.980 0.3 . 1 . . . . . 21 LEU CD2 . 15652 1
241 . 1 1 21 21 LEU CG C 13 27.265 0.3 . 1 . . . . . 21 LEU CG . 15652 1
242 . 1 1 21 21 LEU N N 15 116.889 0.3 . 1 . . . . . 21 LEU N . 15652 1
243 . 1 1 22 22 ALA H H 1 7.972 0.03 . 1 . . . . . 22 ALA H . 15652 1
244 . 1 1 22 22 ALA HA H 1 4.158 0.03 . 1 . . . . . 22 ALA HA . 15652 1
245 . 1 1 22 22 ALA HB1 H 1 1.587 0.03 . 1 . . . . . 22 ALA HB . 15652 1
246 . 1 1 22 22 ALA HB2 H 1 1.587 0.03 . 1 . . . . . 22 ALA HB . 15652 1
247 . 1 1 22 22 ALA HB3 H 1 1.587 0.03 . 1 . . . . . 22 ALA HB . 15652 1
248 . 1 1 22 22 ALA C C 13 179.288 0.3 . 1 . . . . . 22 ALA C . 15652 1
249 . 1 1 22 22 ALA CA C 13 55.180 0.3 . 1 . . . . . 22 ALA CA . 15652 1
250 . 1 1 22 22 ALA CB C 13 18.013 0.3 . 1 . . . . . 22 ALA CB . 15652 1
251 . 1 1 22 22 ALA N N 15 121.219 0.3 . 1 . . . . . 22 ALA N . 15652 1
252 . 1 1 23 23 PHE H H 1 7.546 0.03 . 1 . . . . . 23 PHE H . 15652 1
253 . 1 1 23 23 PHE HA H 1 4.081 0.03 . 1 . . . . . 23 PHE HA . 15652 1
254 . 1 1 23 23 PHE HB2 H 1 3.199 0.03 . 2 . . . . . 23 PHE HB2 . 15652 1
255 . 1 1 23 23 PHE HB3 H 1 3.009 0.03 . 2 . . . . . 23 PHE HB3 . 15652 1
256 . 1 1 23 23 PHE HD1 H 1 6.772 0.03 . 3 . . . . . 23 PHE HD1 . 15652 1
257 . 1 1 23 23 PHE HD2 H 1 6.773 0.03 . 3 . . . . . 23 PHE HD2 . 15652 1
258 . 1 1 23 23 PHE HE1 H 1 6.365 0.03 . 3 . . . . . 23 PHE HE1 . 15652 1
259 . 1 1 23 23 PHE HE2 H 1 6.362 0.03 . 3 . . . . . 23 PHE HE2 . 15652 1
260 . 1 1 23 23 PHE HZ H 1 6.692 0.03 . 1 . . . . . 23 PHE HZ . 15652 1
261 . 1 1 23 23 PHE C C 13 178.515 0.3 . 1 . . . . . 23 PHE C . 15652 1
262 . 1 1 23 23 PHE CA C 13 61.520 0.3 . 1 . . . . . 23 PHE CA . 15652 1
263 . 1 1 23 23 PHE CB C 13 40.296 0.3 . 1 . . . . . 23 PHE CB . 15652 1
264 . 1 1 23 23 PHE CD1 C 13 131.812 0.3 . 3 . . . . . 23 PHE CD1 . 15652 1
265 . 1 1 23 23 PHE CD2 C 13 131.812 0.3 . 3 . . . . . 23 PHE CD2 . 15652 1
266 . 1 1 23 23 PHE CE1 C 13 131.373 0.3 . 3 . . . . . 23 PHE CE1 . 15652 1
267 . 1 1 23 23 PHE CE2 C 13 131.360 0.3 . 3 . . . . . 23 PHE CE2 . 15652 1
268 . 1 1 23 23 PHE CZ C 13 129.370 0.3 . 1 . . . . . 23 PHE CZ . 15652 1
269 . 1 1 23 23 PHE N N 15 119.034 0.3 . 1 . . . . . 23 PHE N . 15652 1
270 . 1 1 24 24 MET H H 1 7.595 0.03 . 1 . . . . . 24 MET H . 15652 1
271 . 1 1 24 24 MET HA H 1 3.768 0.03 . 1 . . . . . 24 MET HA . 15652 1
272 . 1 1 24 24 MET HB2 H 1 2.017 0.03 . 2 . . . . . 24 MET HB2 . 15652 1
273 . 1 1 24 24 MET HB3 H 1 1.343 0.03 . 2 . . . . . 24 MET HB3 . 15652 1
274 . 1 1 24 24 MET HE1 H 1 1.958 0.03 . 1 . . . . . 24 MET HE . 15652 1
275 . 1 1 24 24 MET HE2 H 1 1.958 0.03 . 1 . . . . . 24 MET HE . 15652 1
276 . 1 1 24 24 MET HE3 H 1 1.958 0.03 . 1 . . . . . 24 MET HE . 15652 1
277 . 1 1 24 24 MET HG2 H 1 2.841 0.03 . 2 . . . . . 24 MET HG2 . 15652 1
278 . 1 1 24 24 MET HG3 H 1 2.280 0.03 . 2 . . . . . 24 MET HG3 . 15652 1
279 . 1 1 24 24 MET C C 13 176.037 0.3 . 1 . . . . . 24 MET C . 15652 1
280 . 1 1 24 24 MET CA C 13 59.901 0.3 . 1 . . . . . 24 MET CA . 15652 1
281 . 1 1 24 24 MET CB C 13 34.008 0.3 . 1 . . . . . 24 MET CB . 15652 1
282 . 1 1 24 24 MET CE C 13 17.732 0.3 . 1 . . . . . 24 MET CE . 15652 1
283 . 1 1 24 24 MET CG C 13 35.487 0.3 . 1 . . . . . 24 MET CG . 15652 1
284 . 1 1 24 24 MET N N 15 118.377 0.3 . 1 . . . . . 24 MET N . 15652 1
285 . 1 1 25 25 LYS H H 1 8.131 0.03 . 1 . . . . . 25 LYS H . 15652 1
286 . 1 1 25 25 LYS HA H 1 3.747 0.03 . 1 . . . . . 25 LYS HA . 15652 1
287 . 1 1 25 25 LYS HB2 H 1 2.004 0.03 . 2 . . . . . 25 LYS HB2 . 15652 1
288 . 1 1 25 25 LYS HB3 H 1 2.022 0.03 . 2 . . . . . 25 LYS HB3 . 15652 1
289 . 1 1 25 25 LYS HD2 H 1 1.761 0.03 . 2 . . . . . 25 LYS HD2 . 15652 1
290 . 1 1 25 25 LYS HD3 H 1 1.761 0.03 . 2 . . . . . 25 LYS HD3 . 15652 1
291 . 1 1 25 25 LYS HE2 H 1 3.000 0.03 . 2 . . . . . 25 LYS HE2 . 15652 1
292 . 1 1 25 25 LYS HE3 H 1 3.000 0.03 . 2 . . . . . 25 LYS HE3 . 15652 1
293 . 1 1 25 25 LYS HG2 H 1 1.445 0.03 . 2 . . . . . 25 LYS HG2 . 15652 1
294 . 1 1 25 25 LYS HG3 H 1 1.355 0.03 . 2 . . . . . 25 LYS HG3 . 15652 1
295 . 1 1 25 25 LYS C C 13 178.865 0.3 . 1 . . . . . 25 LYS C . 15652 1
296 . 1 1 25 25 LYS CA C 13 59.994 0.3 . 1 . . . . . 25 LYS CA . 15652 1
297 . 1 1 25 25 LYS CB C 13 32.365 0.3 . 1 . . . . . 25 LYS CB . 15652 1
298 . 1 1 25 25 LYS CD C 13 29.667 0.3 . 1 . . . . . 25 LYS CD . 15652 1
299 . 1 1 25 25 LYS CE C 13 42.271 0.3 . 1 . . . . . 25 LYS CE . 15652 1
300 . 1 1 25 25 LYS CG C 13 25.472 0.3 . 1 . . . . . 25 LYS CG . 15652 1
301 . 1 1 25 25 LYS N N 15 121.901 0.3 . 1 . . . . . 25 LYS N . 15652 1
302 . 1 1 26 26 VAL H H 1 7.986 0.03 . 1 . . . . . 26 VAL H . 15652 1
303 . 1 1 26 26 VAL HA H 1 3.515 0.03 . 1 . . . . . 26 VAL HA . 15652 1
304 . 1 1 26 26 VAL HB H 1 1.898 0.03 . 1 . . . . . 26 VAL HB . 15652 1
305 . 1 1 26 26 VAL HG11 H 1 0.777 0.03 . 1 . . . . . 26 VAL HG1 . 15652 1
306 . 1 1 26 26 VAL HG12 H 1 0.777 0.03 . 1 . . . . . 26 VAL HG1 . 15652 1
307 . 1 1 26 26 VAL HG13 H 1 0.777 0.03 . 1 . . . . . 26 VAL HG1 . 15652 1
308 . 1 1 26 26 VAL HG21 H 1 1.004 0.03 . 1 . . . . . 26 VAL HG2 . 15652 1
309 . 1 1 26 26 VAL HG22 H 1 1.004 0.03 . 1 . . . . . 26 VAL HG2 . 15652 1
310 . 1 1 26 26 VAL HG23 H 1 1.004 0.03 . 1 . . . . . 26 VAL HG2 . 15652 1
311 . 1 1 26 26 VAL C C 13 178.654 0.3 . 1 . . . . . 26 VAL C . 15652 1
312 . 1 1 26 26 VAL CA C 13 66.337 0.3 . 1 . . . . . 26 VAL CA . 15652 1
313 . 1 1 26 26 VAL CB C 13 31.302 0.3 . 1 . . . . . 26 VAL CB . 15652 1
314 . 1 1 26 26 VAL CG1 C 13 21.302 0.3 . 1 . . . . . 26 VAL CG1 . 15652 1
315 . 1 1 26 26 VAL CG2 C 13 22.974 0.3 . 1 . . . . . 26 VAL CG2 . 15652 1
316 . 1 1 26 26 VAL N N 15 119.393 0.3 . 1 . . . . . 26 VAL N . 15652 1
317 . 1 1 27 27 MET H H 1 7.232 0.03 . 1 . . . . . 27 MET H . 15652 1
318 . 1 1 27 27 MET HA H 1 3.586 0.03 . 1 . . . . . 27 MET HA . 15652 1
319 . 1 1 27 27 MET HB2 H 1 2.108 0.03 . 2 . . . . . 27 MET HB2 . 15652 1
320 . 1 1 27 27 MET HB3 H 1 1.914 0.03 . 2 . . . . . 27 MET HB3 . 15652 1
321 . 1 1 27 27 MET HE1 H 1 1.721 0.03 . 1 . . . . . 27 MET HE . 15652 1
322 . 1 1 27 27 MET HE2 H 1 1.721 0.03 . 1 . . . . . 27 MET HE . 15652 1
323 . 1 1 27 27 MET HE3 H 1 1.721 0.03 . 1 . . . . . 27 MET HE . 15652 1
324 . 1 1 27 27 MET HG2 H 1 2.559 0.03 . 2 . . . . . 27 MET HG2 . 15652 1
325 . 1 1 27 27 MET HG3 H 1 2.212 0.03 . 2 . . . . . 27 MET HG3 . 15652 1
326 . 1 1 27 27 MET C C 13 177.564 0.3 . 1 . . . . . 27 MET C . 15652 1
327 . 1 1 27 27 MET CA C 13 59.113 0.3 . 1 . . . . . 27 MET CA . 15652 1
328 . 1 1 27 27 MET CB C 13 34.025 0.3 . 1 . . . . . 27 MET CB . 15652 1
329 . 1 1 27 27 MET CE C 13 16.017 0.3 . 1 . . . . . 27 MET CE . 15652 1
330 . 1 1 27 27 MET CG C 13 30.370 0.3 . 1 . . . . . 27 MET CG . 15652 1
331 . 1 1 27 27 MET N N 15 119.647 0.3 . 1 . . . . . 27 MET N . 15652 1
332 . 1 1 28 28 LEU H H 1 8.201 0.03 . 1 . . . . . 28 LEU H . 15652 1
333 . 1 1 28 28 LEU HA H 1 3.733 0.03 . 1 . . . . . 28 LEU HA . 15652 1
334 . 1 1 28 28 LEU HB2 H 1 1.846 0.03 . 2 . . . . . 28 LEU HB2 . 15652 1
335 . 1 1 28 28 LEU HB3 H 1 1.311 0.03 . 2 . . . . . 28 LEU HB3 . 15652 1
336 . 1 1 28 28 LEU HD11 H 1 -0.097 0.03 . 1 . . . . . 28 LEU HD1 . 15652 1
337 . 1 1 28 28 LEU HD12 H 1 -0.097 0.03 . 1 . . . . . 28 LEU HD1 . 15652 1
338 . 1 1 28 28 LEU HD13 H 1 -0.097 0.03 . 1 . . . . . 28 LEU HD1 . 15652 1
339 . 1 1 28 28 LEU HD21 H 1 0.719 0.03 . 1 . . . . . 28 LEU HD2 . 15652 1
340 . 1 1 28 28 LEU HD22 H 1 0.719 0.03 . 1 . . . . . 28 LEU HD2 . 15652 1
341 . 1 1 28 28 LEU HD23 H 1 0.719 0.03 . 1 . . . . . 28 LEU HD2 . 15652 1
342 . 1 1 28 28 LEU HG H 1 1.220 0.03 . 1 . . . . . 28 LEU HG . 15652 1
343 . 1 1 28 28 LEU C C 13 178.075 0.3 . 1 . . . . . 28 LEU C . 15652 1
344 . 1 1 28 28 LEU CA C 13 57.980 0.3 . 1 . . . . . 28 LEU CA . 15652 1
345 . 1 1 28 28 LEU CB C 13 41.151 0.3 . 1 . . . . . 28 LEU CB . 15652 1
346 . 1 1 28 28 LEU CD1 C 13 21.788 0.3 . 1 . . . . . 28 LEU CD1 . 15652 1
347 . 1 1 28 28 LEU CD2 C 13 26.113 0.3 . 1 . . . . . 28 LEU CD2 . 15652 1
348 . 1 1 28 28 LEU CG C 13 26.652 0.3 . 1 . . . . . 28 LEU CG . 15652 1
349 . 1 1 28 28 LEU N N 15 118.420 0.3 . 1 . . . . . 28 LEU N . 15652 1
350 . 1 1 29 29 ASN H H 1 7.579 0.03 . 1 . . . . . 29 ASN H . 15652 1
351 . 1 1 29 29 ASN HA H 1 4.512 0.03 . 1 . . . . . 29 ASN HA . 15652 1
352 . 1 1 29 29 ASN HB2 H 1 2.845 0.03 . 2 . . . . . 29 ASN HB2 . 15652 1
353 . 1 1 29 29 ASN HB3 H 1 2.726 0.03 . 2 . . . . . 29 ASN HB3 . 15652 1
354 . 1 1 29 29 ASN HD21 H 1 7.503 0.03 . 1 . . . . . 29 ASN HD21 . 15652 1
355 . 1 1 29 29 ASN HD22 H 1 6.842 0.03 . 1 . . . . . 29 ASN HD22 . 15652 1
356 . 1 1 29 29 ASN C C 13 176.087 0.3 . 1 . . . . . 29 ASN C . 15652 1
357 . 1 1 29 29 ASN CA C 13 54.286 0.3 . 1 . . . . . 29 ASN CA . 15652 1
358 . 1 1 29 29 ASN CB C 13 38.984 0.3 . 1 . . . . . 29 ASN CB . 15652 1
359 . 1 1 29 29 ASN N N 15 112.254 0.3 . 1 . . . . . 29 ASN N . 15652 1
360 . 1 1 29 29 ASN ND2 N 15 111.639 0.3 . 1 . . . . . 29 ASN ND2 . 15652 1
361 . 1 1 30 30 ARG H H 1 7.621 0.03 . 1 . . . . . 30 ARG H . 15652 1
362 . 1 1 30 30 ARG HA H 1 4.169 0.03 . 1 . . . . . 30 ARG HA . 15652 1
363 . 1 1 30 30 ARG HB2 H 1 1.762 0.03 . 2 . . . . . 30 ARG HB2 . 15652 1
364 . 1 1 30 30 ARG HB3 H 1 1.527 0.03 . 2 . . . . . 30 ARG HB3 . 15652 1
365 . 1 1 30 30 ARG HD2 H 1 3.067 0.03 . 2 . . . . . 30 ARG HD2 . 15652 1
366 . 1 1 30 30 ARG HD3 H 1 2.966 0.03 . 2 . . . . . 30 ARG HD3 . 15652 1
367 . 1 1 30 30 ARG HG2 H 1 1.567 0.03 . 2 . . . . . 30 ARG HG2 . 15652 1
368 . 1 1 30 30 ARG HG3 H 1 1.469 0.03 . 2 . . . . . 30 ARG HG3 . 15652 1
369 . 1 1 30 30 ARG C C 13 175.926 0.3 . 1 . . . . . 30 ARG C . 15652 1
370 . 1 1 30 30 ARG CA C 13 57.482 0.3 . 1 . . . . . 30 ARG CA . 15652 1
371 . 1 1 30 30 ARG CB C 13 30.404 0.3 . 1 . . . . . 30 ARG CB . 15652 1
372 . 1 1 30 30 ARG CD C 13 43.834 0.3 . 1 . . . . . 30 ARG CD . 15652 1
373 . 1 1 30 30 ARG CG C 13 28.370 0.3 . 1 . . . . . 30 ARG CG . 15652 1
374 . 1 1 30 30 ARG N N 15 118.878 0.3 . 1 . . . . . 30 ARG N . 15652 1
375 . 1 1 31 31 TYR H H 1 7.287 0.03 . 1 . . . . . 31 TYR H . 15652 1
376 . 1 1 31 31 TYR HA H 1 4.690 0.03 . 1 . . . . . 31 TYR HA . 15652 1
377 . 1 1 31 31 TYR HB2 H 1 3.249 0.03 . 2 . . . . . 31 TYR HB2 . 15652 1
378 . 1 1 31 31 TYR HB3 H 1 2.743 0.03 . 2 . . . . . 31 TYR HB3 . 15652 1
379 . 1 1 31 31 TYR HD1 H 1 7.577 0.03 . 3 . . . . . 31 TYR HD1 . 15652 1
380 . 1 1 31 31 TYR HD2 H 1 7.577 0.03 . 3 . . . . . 31 TYR HD2 . 15652 1
381 . 1 1 31 31 TYR HE1 H 1 6.953 0.03 . 3 . . . . . 31 TYR HE1 . 15652 1
382 . 1 1 31 31 TYR HE2 H 1 6.953 0.03 . 3 . . . . . 31 TYR HE2 . 15652 1
383 . 1 1 31 31 TYR C C 13 174.348 0.3 . 1 . . . . . 31 TYR C . 15652 1
384 . 1 1 31 31 TYR CA C 13 58.118 0.3 . 1 . . . . . 31 TYR CA . 15652 1
385 . 1 1 31 31 TYR CB C 13 43.045 0.3 . 1 . . . . . 31 TYR CB . 15652 1
386 . 1 1 31 31 TYR CD1 C 13 134.338 0.3 . 3 . . . . . 31 TYR CD1 . 15652 1
387 . 1 1 31 31 TYR CD2 C 13 134.338 0.3 . 3 . . . . . 31 TYR CD2 . 15652 1
388 . 1 1 31 31 TYR CE1 C 13 118.556 0.3 . 3 . . . . . 31 TYR CE1 . 15652 1
389 . 1 1 31 31 TYR CE2 C 13 118.556 0.3 . 3 . . . . . 31 TYR CE2 . 15652 1
390 . 1 1 31 31 TYR N N 15 118.414 0.3 . 1 . . . . . 31 TYR N . 15652 1
391 . 1 1 32 32 ARG H H 1 9.314 0.03 . 1 . . . . . 32 ARG H . 15652 1
392 . 1 1 32 32 ARG HA H 1 4.913 0.03 . 1 . . . . . 32 ARG HA . 15652 1
393 . 1 1 32 32 ARG HB2 H 1 1.803 0.03 . 2 . . . . . 32 ARG HB2 . 15652 1
394 . 1 1 32 32 ARG HB3 H 1 1.674 0.03 . 2 . . . . . 32 ARG HB3 . 15652 1
395 . 1 1 32 32 ARG HD2 H 1 3.291 0.03 . 2 . . . . . 32 ARG HD2 . 15652 1
396 . 1 1 32 32 ARG HD3 H 1 3.231 0.03 . 2 . . . . . 32 ARG HD3 . 15652 1
397 . 1 1 32 32 ARG HG2 H 1 1.699 0.03 . 2 . . . . . 32 ARG HG2 . 15652 1
398 . 1 1 32 32 ARG HG3 H 1 1.699 0.03 . 2 . . . . . 32 ARG HG3 . 15652 1
399 . 1 1 32 32 ARG C C 13 173.525 0.3 . 1 . . . . . 32 ARG C . 15652 1
400 . 1 1 32 32 ARG CA C 13 52.775 0.3 . 1 . . . . . 32 ARG CA . 15652 1
401 . 1 1 32 32 ARG CB C 13 30.292 0.3 . 1 . . . . . 32 ARG CB . 15652 1
402 . 1 1 32 32 ARG CD C 13 43.180 0.3 . 1 . . . . . 32 ARG CD . 15652 1
403 . 1 1 32 32 ARG CG C 13 26.746 0.3 . 1 . . . . . 32 ARG CG . 15652 1
404 . 1 1 32 32 ARG N N 15 121.876 0.3 . 1 . . . . . 32 ARG N . 15652 1
405 . 1 1 33 33 PRO HA H 1 3.870 0.03 . 1 . . . . . 33 PRO HA . 15652 1
406 . 1 1 33 33 PRO HB2 H 1 2.327 0.03 . 2 . . . . . 33 PRO HB2 . 15652 1
407 . 1 1 33 33 PRO HB3 H 1 1.901 0.03 . 2 . . . . . 33 PRO HB3 . 15652 1
408 . 1 1 33 33 PRO HD2 H 1 3.925 0.03 . 2 . . . . . 33 PRO HD2 . 15652 1
409 . 1 1 33 33 PRO HD3 H 1 3.454 0.03 . 2 . . . . . 33 PRO HD3 . 15652 1
410 . 1 1 33 33 PRO HG2 H 1 2.166 0.03 . 2 . . . . . 33 PRO HG2 . 15652 1
411 . 1 1 33 33 PRO HG3 H 1 1.555 0.03 . 2 . . . . . 33 PRO HG3 . 15652 1
412 . 1 1 33 33 PRO C C 13 177.517 0.3 . 1 . . . . . 33 PRO C . 15652 1
413 . 1 1 33 33 PRO CA C 13 64.332 0.3 . 1 . . . . . 33 PRO CA . 15652 1
414 . 1 1 33 33 PRO CB C 13 31.655 0.3 . 1 . . . . . 33 PRO CB . 15652 1
415 . 1 1 33 33 PRO CD C 13 50.235 0.3 . 1 . . . . . 33 PRO CD . 15652 1
416 . 1 1 33 33 PRO CG C 13 28.989 0.3 . 1 . . . . . 33 PRO CG . 15652 1
417 . 1 1 34 34 GLY H H 1 9.584 0.03 . 1 . . . . . 34 GLY H . 15652 1
418 . 1 1 34 34 GLY HA2 H 1 4.422 0.03 . 2 . . . . . 34 GLY HA2 . 15652 1
419 . 1 1 34 34 GLY HA3 H 1 3.725 0.03 . 2 . . . . . 34 GLY HA3 . 15652 1
420 . 1 1 34 34 GLY C C 13 174.605 0.3 . 1 . . . . . 34 GLY C . 15652 1
421 . 1 1 34 34 GLY CA C 13 44.745 0.3 . 1 . . . . . 34 GLY CA . 15652 1
422 . 1 1 34 34 GLY N N 15 115.669 0.3 . 1 . . . . . 34 GLY N . 15652 1
423 . 1 1 35 35 ASP H H 1 8.252 0.03 . 1 . . . . . 35 ASP H . 15652 1
424 . 1 1 35 35 ASP HA H 1 4.691 0.03 . 1 . . . . . 35 ASP HA . 15652 1
425 . 1 1 35 35 ASP HB2 H 1 3.080 0.03 . 2 . . . . . 35 ASP HB2 . 15652 1
426 . 1 1 35 35 ASP HB3 H 1 2.856 0.03 . 2 . . . . . 35 ASP HB3 . 15652 1
427 . 1 1 35 35 ASP C C 13 175.279 0.3 . 1 . . . . . 35 ASP C . 15652 1
428 . 1 1 35 35 ASP CA C 13 55.195 0.3 . 1 . . . . . 35 ASP CA . 15652 1
429 . 1 1 35 35 ASP CB C 13 42.301 0.3 . 1 . . . . . 35 ASP CB . 15652 1
430 . 1 1 35 35 ASP N N 15 122.076 0.3 . 1 . . . . . 35 ASP N . 15652 1
431 . 1 1 36 36 ILE H H 1 8.194 0.03 . 1 . . . . . 36 ILE H . 15652 1
432 . 1 1 36 36 ILE HA H 1 4.546 0.03 . 1 . . . . . 36 ILE HA . 15652 1
433 . 1 1 36 36 ILE HB H 1 1.886 0.03 . 1 . . . . . 36 ILE HB . 15652 1
434 . 1 1 36 36 ILE HD11 H 1 0.845 0.03 . 1 . . . . . 36 ILE HD1 . 15652 1
435 . 1 1 36 36 ILE HD12 H 1 0.845 0.03 . 1 . . . . . 36 ILE HD1 . 15652 1
436 . 1 1 36 36 ILE HD13 H 1 0.845 0.03 . 1 . . . . . 36 ILE HD1 . 15652 1
437 . 1 1 36 36 ILE HG12 H 1 1.631 0.03 . 2 . . . . . 36 ILE HG12 . 15652 1
438 . 1 1 36 36 ILE HG13 H 1 1.411 0.03 . 2 . . . . . 36 ILE HG13 . 15652 1
439 . 1 1 36 36 ILE HG21 H 1 1.062 0.03 . 1 . . . . . 36 ILE HG2 . 15652 1
440 . 1 1 36 36 ILE HG22 H 1 1.062 0.03 . 1 . . . . . 36 ILE HG2 . 15652 1
441 . 1 1 36 36 ILE HG23 H 1 1.062 0.03 . 1 . . . . . 36 ILE HG2 . 15652 1
442 . 1 1 36 36 ILE C C 13 176.709 0.3 . 1 . . . . . 36 ILE C . 15652 1
443 . 1 1 36 36 ILE CA C 13 59.572 0.3 . 1 . . . . . 36 ILE CA . 15652 1
444 . 1 1 36 36 ILE CB C 13 37.870 0.3 . 1 . . . . . 36 ILE CB . 15652 1
445 . 1 1 36 36 ILE CD1 C 13 11.832 0.3 . 1 . . . . . 36 ILE CD1 . 15652 1
446 . 1 1 36 36 ILE CG1 C 13 27.916 0.3 . 1 . . . . . 36 ILE CG1 . 15652 1
447 . 1 1 36 36 ILE CG2 C 13 17.467 0.3 . 1 . . . . . 36 ILE CG2 . 15652 1
448 . 1 1 36 36 ILE N N 15 120.260 0.3 . 1 . . . . . 36 ILE N . 15652 1
449 . 1 1 37 37 VAL H H 1 7.963 0.03 . 1 . . . . . 37 VAL H . 15652 1
450 . 1 1 37 37 VAL HA H 1 3.671 0.03 . 1 . . . . . 37 VAL HA . 15652 1
451 . 1 1 37 37 VAL HB H 1 2.013 0.03 . 1 . . . . . 37 VAL HB . 15652 1
452 . 1 1 37 37 VAL HG11 H 1 0.848 0.03 . 1 . . . . . 37 VAL HG1 . 15652 1
453 . 1 1 37 37 VAL HG12 H 1 0.848 0.03 . 1 . . . . . 37 VAL HG1 . 15652 1
454 . 1 1 37 37 VAL HG13 H 1 0.848 0.03 . 1 . . . . . 37 VAL HG1 . 15652 1
455 . 1 1 37 37 VAL HG21 H 1 0.617 0.03 . 1 . . . . . 37 VAL HG2 . 15652 1
456 . 1 1 37 37 VAL HG22 H 1 0.617 0.03 . 1 . . . . . 37 VAL HG2 . 15652 1
457 . 1 1 37 37 VAL HG23 H 1 0.617 0.03 . 1 . . . . . 37 VAL HG2 . 15652 1
458 . 1 1 37 37 VAL C C 13 176.530 0.3 . 1 . . . . . 37 VAL C . 15652 1
459 . 1 1 37 37 VAL CA C 13 62.969 0.3 . 1 . . . . . 37 VAL CA . 15652 1
460 . 1 1 37 37 VAL CB C 13 32.201 0.3 . 1 . . . . . 37 VAL CB . 15652 1
461 . 1 1 37 37 VAL CG1 C 13 21.538 0.3 . 1 . . . . . 37 VAL CG1 . 15652 1
462 . 1 1 37 37 VAL CG2 C 13 22.171 0.3 . 1 . . . . . 37 VAL CG2 . 15652 1
463 . 1 1 37 37 VAL N N 15 126.533 0.3 . 1 . . . . . 37 VAL N . 15652 1
464 . 1 1 38 38 SER H H 1 8.852 0.03 . 1 . . . . . 38 SER H . 15652 1
465 . 1 1 38 38 SER HA H 1 4.600 0.03 . 1 . . . . . 38 SER HA . 15652 1
466 . 1 1 38 38 SER HB2 H 1 4.532 0.03 . 2 . . . . . 38 SER HB2 . 15652 1
467 . 1 1 38 38 SER HB3 H 1 4.363 0.03 . 2 . . . . . 38 SER HB3 . 15652 1
468 . 1 1 38 38 SER C C 13 174.950 0.3 . 1 . . . . . 38 SER C . 15652 1
469 . 1 1 38 38 SER CA C 13 58.147 0.3 . 1 . . . . . 38 SER CA . 15652 1
470 . 1 1 38 38 SER CB C 13 65.224 0.3 . 1 . . . . . 38 SER CB . 15652 1
471 . 1 1 38 38 SER N N 15 122.752 0.3 . 1 . . . . . 38 SER N . 15652 1
472 . 1 1 39 39 THR H H 1 8.870 0.03 . 1 . . . . . 39 THR H . 15652 1
473 . 1 1 39 39 THR HA H 1 4.153 0.03 . 1 . . . . . 39 THR HA . 15652 1
474 . 1 1 39 39 THR HB H 1 4.271 0.03 . 1 . . . . . 39 THR HB . 15652 1
475 . 1 1 39 39 THR HG21 H 1 1.401 0.03 . 1 . . . . . 39 THR HG2 . 15652 1
476 . 1 1 39 39 THR HG22 H 1 1.401 0.03 . 1 . . . . . 39 THR HG2 . 15652 1
477 . 1 1 39 39 THR HG23 H 1 1.401 0.03 . 1 . . . . . 39 THR HG2 . 15652 1
478 . 1 1 39 39 THR C C 13 177.855 0.3 . 1 . . . . . 39 THR C . 15652 1
479 . 1 1 39 39 THR CA C 13 66.299 0.3 . 1 . . . . . 39 THR CA . 15652 1
480 . 1 1 39 39 THR CB C 13 68.559 0.3 . 1 . . . . . 39 THR CB . 15652 1
481 . 1 1 39 39 THR CG2 C 13 22.270 0.3 . 1 . . . . . 39 THR CG2 . 15652 1
482 . 1 1 39 39 THR N N 15 116.391 0.3 . 1 . . . . . 39 THR N . 15652 1
483 . 1 1 40 40 VAL H H 1 8.018 0.03 . 1 . . . . . 40 VAL H . 15652 1
484 . 1 1 40 40 VAL HA H 1 4.028 0.03 . 1 . . . . . 40 VAL HA . 15652 1
485 . 1 1 40 40 VAL HB H 1 2.057 0.03 . 1 . . . . . 40 VAL HB . 15652 1
486 . 1 1 40 40 VAL HG11 H 1 1.082 0.03 . 1 . . . . . 40 VAL HG1 . 15652 1
487 . 1 1 40 40 VAL HG12 H 1 1.082 0.03 . 1 . . . . . 40 VAL HG1 . 15652 1
488 . 1 1 40 40 VAL HG13 H 1 1.082 0.03 . 1 . . . . . 40 VAL HG1 . 15652 1
489 . 1 1 40 40 VAL HG21 H 1 1.149 0.03 . 1 . . . . . 40 VAL HG2 . 15652 1
490 . 1 1 40 40 VAL HG22 H 1 1.149 0.03 . 1 . . . . . 40 VAL HG2 . 15652 1
491 . 1 1 40 40 VAL HG23 H 1 1.149 0.03 . 1 . . . . . 40 VAL HG2 . 15652 1
492 . 1 1 40 40 VAL C C 13 178.339 0.3 . 1 . . . . . 40 VAL C . 15652 1
493 . 1 1 40 40 VAL CA C 13 65.776 0.3 . 1 . . . . . 40 VAL CA . 15652 1
494 . 1 1 40 40 VAL CB C 13 32.139 0.3 . 1 . . . . . 40 VAL CB . 15652 1
495 . 1 1 40 40 VAL CG1 C 13 20.919 0.3 . 1 . . . . . 40 VAL CG1 . 15652 1
496 . 1 1 40 40 VAL CG2 C 13 22.224 0.3 . 1 . . . . . 40 VAL CG2 . 15652 1
497 . 1 1 40 40 VAL N N 15 121.035 0.3 . 1 . . . . . 40 VAL N . 15652 1
498 . 1 1 41 41 ASP H H 1 7.610 0.03 . 1 . . . . . 41 ASP H . 15652 1
499 . 1 1 41 41 ASP HA H 1 4.570 0.03 . 1 . . . . . 41 ASP HA . 15652 1
500 . 1 1 41 41 ASP HB2 H 1 3.115 0.03 . 2 . . . . . 41 ASP HB2 . 15652 1
501 . 1 1 41 41 ASP HB3 H 1 2.865 0.03 . 2 . . . . . 41 ASP HB3 . 15652 1
502 . 1 1 41 41 ASP C C 13 178.746 0.3 . 1 . . . . . 41 ASP C . 15652 1
503 . 1 1 41 41 ASP CA C 13 57.492 0.3 . 1 . . . . . 41 ASP CA . 15652 1
504 . 1 1 41 41 ASP CB C 13 39.740 0.3 . 1 . . . . . 41 ASP CB . 15652 1
505 . 1 1 41 41 ASP N N 15 124.108 0.3 . 1 . . . . . 41 ASP N . 15652 1
506 . 1 1 42 42 GLY H H 1 9.363 0.03 . 1 . . . . . 42 GLY H . 15652 1
507 . 1 1 42 42 GLY HA2 H 1 4.186 0.03 . 2 . . . . . 42 GLY HA2 . 15652 1
508 . 1 1 42 42 GLY HA3 H 1 3.584 0.03 . 2 . . . . . 42 GLY HA3 . 15652 1
509 . 1 1 42 42 GLY C C 13 175.329 0.3 . 1 . . . . . 42 GLY C . 15652 1
510 . 1 1 42 42 GLY CA C 13 46.944 0.3 . 1 . . . . . 42 GLY CA . 15652 1
511 . 1 1 42 42 GLY N N 15 109.572 0.3 . 1 . . . . . 42 GLY N . 15652 1
512 . 1 1 43 43 ALA H H 1 7.949 0.03 . 1 . . . . . 43 ALA H . 15652 1
513 . 1 1 43 43 ALA HA H 1 4.240 0.03 . 1 . . . . . 43 ALA HA . 15652 1
514 . 1 1 43 43 ALA HB1 H 1 1.617 0.03 . 1 . . . . . 43 ALA HB . 15652 1
515 . 1 1 43 43 ALA HB2 H 1 1.617 0.03 . 1 . . . . . 43 ALA HB . 15652 1
516 . 1 1 43 43 ALA HB3 H 1 1.617 0.03 . 1 . . . . . 43 ALA HB . 15652 1
517 . 1 1 43 43 ALA C C 13 180.375 0.3 . 1 . . . . . 43 ALA C . 15652 1
518 . 1 1 43 43 ALA CA C 13 54.897 0.3 . 1 . . . . . 43 ALA CA . 15652 1
519 . 1 1 43 43 ALA CB C 13 17.895 0.3 . 1 . . . . . 43 ALA CB . 15652 1
520 . 1 1 43 43 ALA N N 15 123.561 0.3 . 1 . . . . . 43 ALA N . 15652 1
521 . 1 1 44 44 PHE H H 1 7.337 0.03 . 1 . . . . . 44 PHE H . 15652 1
522 . 1 1 44 44 PHE HA H 1 3.957 0.03 . 1 . . . . . 44 PHE HA . 15652 1
523 . 1 1 44 44 PHE HB2 H 1 3.534 0.03 . 2 . . . . . 44 PHE HB2 . 15652 1
524 . 1 1 44 44 PHE HB3 H 1 3.366 0.03 . 2 . . . . . 44 PHE HB3 . 15652 1
525 . 1 1 44 44 PHE HD1 H 1 6.990 0.03 . 3 . . . . . 44 PHE HD1 . 15652 1
526 . 1 1 44 44 PHE HD2 H 1 6.989 0.03 . 3 . . . . . 44 PHE HD2 . 15652 1
527 . 1 1 44 44 PHE HE1 H 1 7.138 0.03 . 3 . . . . . 44 PHE HE1 . 15652 1
528 . 1 1 44 44 PHE HE2 H 1 7.138 0.03 . 3 . . . . . 44 PHE HE2 . 15652 1
529 . 1 1 44 44 PHE HZ H 1 6.950 0.03 . 1 . . . . . 44 PHE HZ . 15652 1
530 . 1 1 44 44 PHE C C 13 177.252 0.3 . 1 . . . . . 44 PHE C . 15652 1
531 . 1 1 44 44 PHE CA C 13 61.508 0.3 . 1 . . . . . 44 PHE CA . 15652 1
532 . 1 1 44 44 PHE CB C 13 38.993 0.3 . 1 . . . . . 44 PHE CB . 15652 1
533 . 1 1 44 44 PHE CD1 C 13 132.278 0.3 . 3 . . . . . 44 PHE CD1 . 15652 1
534 . 1 1 44 44 PHE CD2 C 13 132.278 0.3 . 3 . . . . . 44 PHE CD2 . 15652 1
535 . 1 1 44 44 PHE CE1 C 13 130.837 0.3 . 3 . . . . . 44 PHE CE1 . 15652 1
536 . 1 1 44 44 PHE CE2 C 13 130.837 0.3 . 3 . . . . . 44 PHE CE2 . 15652 1
537 . 1 1 44 44 PHE CZ C 13 129.162 0.3 . 1 . . . . . 44 PHE CZ . 15652 1
538 . 1 1 44 44 PHE N N 15 118.542 0.3 . 1 . . . . . 44 PHE N . 15652 1
539 . 1 1 45 45 LEU H H 1 8.301 0.03 . 1 . . . . . 45 LEU H . 15652 1
540 . 1 1 45 45 LEU HA H 1 3.741 0.03 . 1 . . . . . 45 LEU HA . 15652 1
541 . 1 1 45 45 LEU HB2 H 1 0.104 0.03 . 2 . . . . . 45 LEU HB2 . 15652 1
542 . 1 1 45 45 LEU HB3 H 1 1.023 0.03 . 2 . . . . . 45 LEU HB3 . 15652 1
543 . 1 1 45 45 LEU HD11 H 1 -0.437 0.03 . 1 . . . . . 45 LEU HD1 . 15652 1
544 . 1 1 45 45 LEU HD12 H 1 -0.437 0.03 . 1 . . . . . 45 LEU HD1 . 15652 1
545 . 1 1 45 45 LEU HD13 H 1 -0.437 0.03 . 1 . . . . . 45 LEU HD1 . 15652 1
546 . 1 1 45 45 LEU HD21 H 1 0.151 0.03 . 1 . . . . . 45 LEU HD2 . 15652 1
547 . 1 1 45 45 LEU HD22 H 1 0.151 0.03 . 1 . . . . . 45 LEU HD2 . 15652 1
548 . 1 1 45 45 LEU HD23 H 1 0.151 0.03 . 1 . . . . . 45 LEU HD2 . 15652 1
549 . 1 1 45 45 LEU HG H 1 1.374 0.03 . 1 . . . . . 45 LEU HG . 15652 1
550 . 1 1 45 45 LEU C C 13 178.847 0.3 . 1 . . . . . 45 LEU C . 15652 1
551 . 1 1 45 45 LEU CA C 13 57.643 0.3 . 1 . . . . . 45 LEU CA . 15652 1
552 . 1 1 45 45 LEU CB C 13 41.274 0.3 . 1 . . . . . 45 LEU CB . 15652 1
553 . 1 1 45 45 LEU CD1 C 13 25.165 0.3 . 1 . . . . . 45 LEU CD1 . 15652 1
554 . 1 1 45 45 LEU CD2 C 13 21.047 0.3 . 1 . . . . . 45 LEU CD2 . 15652 1
555 . 1 1 45 45 LEU CG C 13 25.336 0.3 . 1 . . . . . 45 LEU CG . 15652 1
556 . 1 1 45 45 LEU N N 15 119.345 0.3 . 1 . . . . . 45 LEU N . 15652 1
557 . 1 1 46 46 VAL H H 1 8.562 0.03 . 1 . . . . . 46 VAL H . 15652 1
558 . 1 1 46 46 VAL HA H 1 3.759 0.03 . 1 . . . . . 46 VAL HA . 15652 1
559 . 1 1 46 46 VAL HB H 1 2.247 0.03 . 1 . . . . . 46 VAL HB . 15652 1
560 . 1 1 46 46 VAL HG11 H 1 1.045 0.03 . 1 . . . . . 46 VAL HG1 . 15652 1
561 . 1 1 46 46 VAL HG12 H 1 1.045 0.03 . 1 . . . . . 46 VAL HG1 . 15652 1
562 . 1 1 46 46 VAL HG13 H 1 1.045 0.03 . 1 . . . . . 46 VAL HG1 . 15652 1
563 . 1 1 46 46 VAL HG21 H 1 1.203 0.03 . 1 . . . . . 46 VAL HG2 . 15652 1
564 . 1 1 46 46 VAL HG22 H 1 1.203 0.03 . 1 . . . . . 46 VAL HG2 . 15652 1
565 . 1 1 46 46 VAL HG23 H 1 1.203 0.03 . 1 . . . . . 46 VAL HG2 . 15652 1
566 . 1 1 46 46 VAL C C 13 177.077 0.3 . 1 . . . . . 46 VAL C . 15652 1
567 . 1 1 46 46 VAL CA C 13 67.081 0.3 . 1 . . . . . 46 VAL CA . 15652 1
568 . 1 1 46 46 VAL CB C 13 31.639 0.3 . 1 . . . . . 46 VAL CB . 15652 1
569 . 1 1 46 46 VAL CG1 C 13 21.250 0.3 . 1 . . . . . 46 VAL CG1 . 15652 1
570 . 1 1 46 46 VAL CG2 C 13 23.584 0.3 . 1 . . . . . 46 VAL CG2 . 15652 1
571 . 1 1 46 46 VAL N N 15 118.458 0.3 . 1 . . . . . 46 VAL N . 15652 1
572 . 1 1 47 47 GLU H H 1 6.896 0.03 . 1 . . . . . 47 GLU H . 15652 1
573 . 1 1 47 47 GLU HA H 1 4.019 0.03 . 1 . . . . . 47 GLU HA . 15652 1
574 . 1 1 47 47 GLU HB2 H 1 2.017 0.03 . 2 . . . . . 47 GLU HB2 . 15652 1
575 . 1 1 47 47 GLU HB3 H 1 1.964 0.03 . 2 . . . . . 47 GLU HB3 . 15652 1
576 . 1 1 47 47 GLU HG2 H 1 2.445 0.03 . 2 . . . . . 47 GLU HG2 . 15652 1
577 . 1 1 47 47 GLU HG3 H 1 2.308 0.03 . 2 . . . . . 47 GLU HG3 . 15652 1
578 . 1 1 47 47 GLU C C 13 179.738 0.3 . 1 . . . . . 47 GLU C . 15652 1
579 . 1 1 47 47 GLU CA C 13 58.582 0.3 . 1 . . . . . 47 GLU CA . 15652 1
580 . 1 1 47 47 GLU CB C 13 29.029 0.3 . 1 . . . . . 47 GLU CB . 15652 1
581 . 1 1 47 47 GLU CG C 13 36.328 0.3 . 1 . . . . . 47 GLU CG . 15652 1
582 . 1 1 47 47 GLU N N 15 117.916 0.3 . 1 . . . . . 47 GLU N . 15652 1
583 . 1 1 48 48 ALA H H 1 8.310 0.03 . 1 . . . . . 48 ALA H . 15652 1
584 . 1 1 48 48 ALA HA H 1 3.761 0.03 . 1 . . . . . 48 ALA HA . 15652 1
585 . 1 1 48 48 ALA HB1 H 1 1.421 0.03 . 1 . . . . . 48 ALA HB . 15652 1
586 . 1 1 48 48 ALA HB2 H 1 1.421 0.03 . 1 . . . . . 48 ALA HB . 15652 1
587 . 1 1 48 48 ALA HB3 H 1 1.421 0.03 . 1 . . . . . 48 ALA HB . 15652 1
588 . 1 1 48 48 ALA C C 13 179.636 0.3 . 1 . . . . . 48 ALA C . 15652 1
589 . 1 1 48 48 ALA CA C 13 55.769 0.3 . 1 . . . . . 48 ALA CA . 15652 1
590 . 1 1 48 48 ALA CB C 13 17.370 0.3 . 1 . . . . . 48 ALA CB . 15652 1
591 . 1 1 48 48 ALA N N 15 123.600 0.3 . 1 . . . . . 48 ALA N . 15652 1
592 . 1 1 49 49 LEU H H 1 8.724 0.03 . 1 . . . . . 49 LEU H . 15652 1
593 . 1 1 49 49 LEU HA H 1 3.924 0.03 . 1 . . . . . 49 LEU HA . 15652 1
594 . 1 1 49 49 LEU HB2 H 1 1.319 0.03 . 2 . . . . . 49 LEU HB2 . 15652 1
595 . 1 1 49 49 LEU HB3 H 1 1.791 0.03 . 2 . . . . . 49 LEU HB3 . 15652 1
596 . 1 1 49 49 LEU HD11 H 1 0.213 0.03 . 1 . . . . . 49 LEU HD1 . 15652 1
597 . 1 1 49 49 LEU HD12 H 1 0.213 0.03 . 1 . . . . . 49 LEU HD1 . 15652 1
598 . 1 1 49 49 LEU HD13 H 1 0.213 0.03 . 1 . . . . . 49 LEU HD1 . 15652 1
599 . 1 1 49 49 LEU HD21 H 1 0.388 0.03 . 1 . . . . . 49 LEU HD2 . 15652 1
600 . 1 1 49 49 LEU HD22 H 1 0.388 0.03 . 1 . . . . . 49 LEU HD2 . 15652 1
601 . 1 1 49 49 LEU HD23 H 1 0.388 0.03 . 1 . . . . . 49 LEU HD2 . 15652 1
602 . 1 1 49 49 LEU HG H 1 1.333 0.03 . 1 . . . . . 49 LEU HG . 15652 1
603 . 1 1 49 49 LEU C C 13 178.188 0.3 . 1 . . . . . 49 LEU C . 15652 1
604 . 1 1 49 49 LEU CA C 13 57.387 0.3 . 1 . . . . . 49 LEU CA . 15652 1
605 . 1 1 49 49 LEU CB C 13 41.780 0.3 . 1 . . . . . 49 LEU CB . 15652 1
606 . 1 1 49 49 LEU CD1 C 13 22.883 0.3 . 1 . . . . . 49 LEU CD1 . 15652 1
607 . 1 1 49 49 LEU CD2 C 13 26.450 0.3 . 1 . . . . . 49 LEU CD2 . 15652 1
608 . 1 1 49 49 LEU CG C 13 26.531 0.3 . 1 . . . . . 49 LEU CG . 15652 1
609 . 1 1 49 49 LEU N N 15 119.812 0.3 . 1 . . . . . 49 LEU N . 15652 1
610 . 1 1 50 50 LYS H H 1 7.421 0.03 . 1 . . . . . 50 LYS H . 15652 1
611 . 1 1 50 50 LYS HA H 1 3.856 0.03 . 1 . . . . . 50 LYS HA . 15652 1
612 . 1 1 50 50 LYS HB2 H 1 1.888 0.03 . 2 . . . . . 50 LYS HB2 . 15652 1
613 . 1 1 50 50 LYS HB3 H 1 1.888 0.03 . 2 . . . . . 50 LYS HB3 . 15652 1
614 . 1 1 50 50 LYS HD2 H 1 1.652 0.03 . 2 . . . . . 50 LYS HD2 . 15652 1
615 . 1 1 50 50 LYS HD3 H 1 1.652 0.03 . 2 . . . . . 50 LYS HD3 . 15652 1
616 . 1 1 50 50 LYS HE2 H 1 2.906 0.03 . 2 . . . . . 50 LYS HE2 . 15652 1
617 . 1 1 50 50 LYS HE3 H 1 2.747 0.03 . 2 . . . . . 50 LYS HE3 . 15652 1
618 . 1 1 50 50 LYS HG2 H 1 1.825 0.03 . 2 . . . . . 50 LYS HG2 . 15652 1
619 . 1 1 50 50 LYS HG3 H 1 1.307 0.03 . 2 . . . . . 50 LYS HG3 . 15652 1
620 . 1 1 50 50 LYS C C 13 177.592 0.3 . 1 . . . . . 50 LYS C . 15652 1
621 . 1 1 50 50 LYS CA C 13 59.345 0.3 . 1 . . . . . 50 LYS CA . 15652 1
622 . 1 1 50 50 LYS CB C 13 32.757 0.3 . 1 . . . . . 50 LYS CB . 15652 1
623 . 1 1 50 50 LYS CD C 13 30.028 0.3 . 1 . . . . . 50 LYS CD . 15652 1
624 . 1 1 50 50 LYS CE C 13 42.192 0.3 . 1 . . . . . 50 LYS CE . 15652 1
625 . 1 1 50 50 LYS CG C 13 26.503 0.3 . 1 . . . . . 50 LYS CG . 15652 1
626 . 1 1 50 50 LYS N N 15 115.568 0.3 . 1 . . . . . 50 LYS N . 15652 1
627 . 1 1 51 51 ARG H H 1 7.787 0.03 . 1 . . . . . 51 ARG H . 15652 1
628 . 1 1 51 51 ARG HA H 1 4.356 0.03 . 1 . . . . . 51 ARG HA . 15652 1
629 . 1 1 51 51 ARG HB2 H 1 2.346 0.03 . 2 . . . . . 51 ARG HB2 . 15652 1
630 . 1 1 51 51 ARG HB3 H 1 1.950 0.03 . 2 . . . . . 51 ARG HB3 . 15652 1
631 . 1 1 51 51 ARG HD2 H 1 3.161 0.03 . 2 . . . . . 51 ARG HD2 . 15652 1
632 . 1 1 51 51 ARG HD3 H 1 3.161 0.03 . 2 . . . . . 51 ARG HD3 . 15652 1
633 . 1 1 51 51 ARG HG2 H 1 1.702 0.03 . 2 . . . . . 51 ARG HG2 . 15652 1
634 . 1 1 51 51 ARG HG3 H 1 1.702 0.03 . 2 . . . . . 51 ARG HG3 . 15652 1
635 . 1 1 51 51 ARG C C 13 176.424 0.3 . 1 . . . . . 51 ARG C . 15652 1
636 . 1 1 51 51 ARG CA C 13 55.690 0.3 . 1 . . . . . 51 ARG CA . 15652 1
637 . 1 1 51 51 ARG CB C 13 30.227 0.3 . 1 . . . . . 51 ARG CB . 15652 1
638 . 1 1 51 51 ARG CD C 13 43.455 0.3 . 1 . . . . . 51 ARG CD . 15652 1
639 . 1 1 51 51 ARG CG C 13 27.937 0.3 . 1 . . . . . 51 ARG CG . 15652 1
640 . 1 1 51 51 ARG N N 15 115.686 0.3 . 1 . . . . . 51 ARG N . 15652 1
641 . 1 1 52 52 HIS H H 1 8.159 0.03 . 1 . . . . . 52 HIS H . 15652 1
642 . 1 1 52 52 HIS HA H 1 4.512 0.03 . 1 . . . . . 52 HIS HA . 15652 1
643 . 1 1 52 52 HIS HB2 H 1 3.259 0.03 . 2 . . . . . 52 HIS HB2 . 15652 1
644 . 1 1 52 52 HIS HB3 H 1 3.099 0.03 . 2 . . . . . 52 HIS HB3 . 15652 1
645 . 1 1 52 52 HIS HE1 H 1 8.045 0.03 . 1 . . . . . 52 HIS HE1 . 15652 1
646 . 1 1 52 52 HIS C C 13 175.409 0.3 . 1 . . . . . 52 HIS C . 15652 1
647 . 1 1 52 52 HIS CA C 13 56.087 0.3 . 1 . . . . . 52 HIS CA . 15652 1
648 . 1 1 52 52 HIS CB C 13 32.904 0.3 . 1 . . . . . 52 HIS CB . 15652 1
649 . 1 1 52 52 HIS CE1 C 13 139.255 0.3 . 1 . . . . . 52 HIS CE1 . 15652 1
650 . 1 1 52 52 HIS N N 15 125.025 0.3 . 1 . . . . . 52 HIS N . 15652 1
651 . 1 1 53 53 PRO HA H 1 4.341 0.03 . 1 . . . . . 53 PRO HA . 15652 1
652 . 1 1 53 53 PRO HB2 H 1 2.280 0.03 . 2 . . . . . 53 PRO HB2 . 15652 1
653 . 1 1 53 53 PRO HB3 H 1 1.918 0.03 . 2 . . . . . 53 PRO HB3 . 15652 1
654 . 1 1 53 53 PRO HD2 H 1 3.659 0.03 . 2 . . . . . 53 PRO HD2 . 15652 1
655 . 1 1 53 53 PRO HD3 H 1 2.565 0.03 . 2 . . . . . 53 PRO HD3 . 15652 1
656 . 1 1 53 53 PRO HG2 H 1 1.871 0.03 . 2 . . . . . 53 PRO HG2 . 15652 1
657 . 1 1 53 53 PRO HG3 H 1 1.839 0.03 . 2 . . . . . 53 PRO HG3 . 15652 1
658 . 1 1 53 53 PRO CA C 13 65.210 0.3 . 1 . . . . . 53 PRO CA . 15652 1
659 . 1 1 53 53 PRO CB C 13 31.791 0.3 . 1 . . . . . 53 PRO CB . 15652 1
660 . 1 1 53 53 PRO CD C 13 50.868 0.3 . 1 . . . . . 53 PRO CD . 15652 1
661 . 1 1 53 53 PRO CG C 13 27.453 0.3 . 1 . . . . . 53 PRO CG . 15652 1
662 . 1 1 54 54 ASP H H 1 8.058 0.03 . 1 . . . . . 54 ASP H . 15652 1
663 . 1 1 54 54 ASP HA H 1 5.184 0.03 . 1 . . . . . 54 ASP HA . 15652 1
664 . 1 1 54 54 ASP HB2 H 1 2.995 0.03 . 2 . . . . . 54 ASP HB2 . 15652 1
665 . 1 1 54 54 ASP HB3 H 1 2.488 0.03 . 2 . . . . . 54 ASP HB3 . 15652 1
666 . 1 1 54 54 ASP C C 13 176.079 0.3 . 1 . . . . . 54 ASP C . 15652 1
667 . 1 1 54 54 ASP CA C 13 52.778 0.3 . 1 . . . . . 54 ASP CA . 15652 1
668 . 1 1 54 54 ASP CB C 13 41.573 0.3 . 1 . . . . . 54 ASP CB . 15652 1
669 . 1 1 55 55 ALA H H 1 7.731 0.03 . 1 . . . . . 55 ALA H . 15652 1
670 . 1 1 55 55 ALA HA H 1 3.589 0.03 . 1 . . . . . 55 ALA HA . 15652 1
671 . 1 1 55 55 ALA HB1 H 1 1.660 0.03 . 1 . . . . . 55 ALA HB . 15652 1
672 . 1 1 55 55 ALA HB2 H 1 1.660 0.03 . 1 . . . . . 55 ALA HB . 15652 1
673 . 1 1 55 55 ALA HB3 H 1 1.660 0.03 . 1 . . . . . 55 ALA HB . 15652 1
674 . 1 1 55 55 ALA C C 13 178.550 0.3 . 1 . . . . . 55 ALA C . 15652 1
675 . 1 1 55 55 ALA CA C 13 57.024 0.3 . 1 . . . . . 55 ALA CA . 15652 1
676 . 1 1 55 55 ALA CB C 13 20.320 0.3 . 1 . . . . . 55 ALA CB . 15652 1
677 . 1 1 55 55 ALA N N 15 122.261 0.3 . 1 . . . . . 55 ALA N . 15652 1
678 . 1 1 56 56 THR H H 1 8.405 0.03 . 1 . . . . . 56 THR H . 15652 1
679 . 1 1 56 56 THR HA H 1 3.804 0.03 . 1 . . . . . 56 THR HA . 15652 1
680 . 1 1 56 56 THR HB H 1 4.104 0.03 . 1 . . . . . 56 THR HB . 15652 1
681 . 1 1 56 56 THR HG21 H 1 1.212 0.03 . 1 . . . . . 56 THR HG2 . 15652 1
682 . 1 1 56 56 THR HG22 H 1 1.212 0.03 . 1 . . . . . 56 THR HG2 . 15652 1
683 . 1 1 56 56 THR HG23 H 1 1.212 0.03 . 1 . . . . . 56 THR HG2 . 15652 1
684 . 1 1 56 56 THR C C 13 177.743 0.3 . 1 . . . . . 56 THR C . 15652 1
685 . 1 1 56 56 THR CA C 13 67.024 0.3 . 1 . . . . . 56 THR CA . 15652 1
686 . 1 1 56 56 THR CB C 13 68.257 0.3 . 1 . . . . . 56 THR CB . 15652 1
687 . 1 1 56 56 THR CG2 C 13 22.010 0.3 . 1 . . . . . 56 THR CG2 . 15652 1
688 . 1 1 56 56 THR N N 15 110.600 0.3 . 1 . . . . . 56 THR N . 15652 1
689 . 1 1 57 57 SER H H 1 7.907 0.03 . 1 . . . . . 57 SER H . 15652 1
690 . 1 1 57 57 SER HA H 1 4.251 0.03 . 1 . . . . . 57 SER HA . 15652 1
691 . 1 1 57 57 SER HB2 H 1 3.864 0.03 . 2 . . . . . 57 SER HB2 . 15652 1
692 . 1 1 57 57 SER HB3 H 1 3.864 0.03 . 2 . . . . . 57 SER HB3 . 15652 1
693 . 1 1 57 57 SER C C 13 176.547 0.3 . 1 . . . . . 57 SER C . 15652 1
694 . 1 1 57 57 SER CA C 13 60.395 0.3 . 1 . . . . . 57 SER CA . 15652 1
695 . 1 1 57 57 SER CB C 13 62.766 0.3 . 1 . . . . . 57 SER CB . 15652 1
696 . 1 1 57 57 SER N N 15 117.623 0.3 . 1 . . . . . 57 SER N . 15652 1
697 . 1 1 58 58 LYS H H 1 8.180 0.03 . 1 . . . . . 58 LYS H . 15652 1
698 . 1 1 58 58 LYS HA H 1 3.687 0.03 . 1 . . . . . 58 LYS HA . 15652 1
699 . 1 1 58 58 LYS HB2 H 1 1.630 0.03 . 2 . . . . . 58 LYS HB2 . 15652 1
700 . 1 1 58 58 LYS HB3 H 1 1.266 0.03 . 2 . . . . . 58 LYS HB3 . 15652 1
701 . 1 1 58 58 LYS HD2 H 1 1.362 0.03 . 2 . . . . . 58 LYS HD2 . 15652 1
702 . 1 1 58 58 LYS HD3 H 1 1.013 0.03 . 2 . . . . . 58 LYS HD3 . 15652 1
703 . 1 1 58 58 LYS HE2 H 1 2.804 0.03 . 2 . . . . . 58 LYS HE2 . 15652 1
704 . 1 1 58 58 LYS HE3 H 1 2.750 0.03 . 2 . . . . . 58 LYS HE3 . 15652 1
705 . 1 1 58 58 LYS HG2 H 1 1.192 0.03 . 2 . . . . . 58 LYS HG2 . 15652 1
706 . 1 1 58 58 LYS HG3 H 1 0.532 0.03 . 2 . . . . . 58 LYS HG3 . 15652 1
707 . 1 1 58 58 LYS C C 13 178.074 0.3 . 1 . . . . . 58 LYS C . 15652 1
708 . 1 1 58 58 LYS CA C 13 58.090 0.3 . 1 . . . . . 58 LYS CA . 15652 1
709 . 1 1 58 58 LYS CB C 13 32.328 0.3 . 1 . . . . . 58 LYS CB . 15652 1
710 . 1 1 58 58 LYS CD C 13 27.953 0.3 . 1 . . . . . 58 LYS CD . 15652 1
711 . 1 1 58 58 LYS CE C 13 42.360 0.3 . 1 . . . . . 58 LYS CE . 15652 1
712 . 1 1 58 58 LYS CG C 13 24.107 0.3 . 1 . . . . . 58 LYS CG . 15652 1
713 . 1 1 58 58 LYS N N 15 120.772 0.3 . 1 . . . . . 58 LYS N . 15652 1
714 . 1 1 59 59 ILE H H 1 8.407 0.03 . 1 . . . . . 59 ILE H . 15652 1
715 . 1 1 59 59 ILE HA H 1 3.336 0.03 . 1 . . . . . 59 ILE HA . 15652 1
716 . 1 1 59 59 ILE HB H 1 1.678 0.03 . 1 . . . . . 59 ILE HB . 15652 1
717 . 1 1 59 59 ILE HD11 H 1 0.714 0.03 . 1 . . . . . 59 ILE HD1 . 15652 1
718 . 1 1 59 59 ILE HD12 H 1 0.714 0.03 . 1 . . . . . 59 ILE HD1 . 15652 1
719 . 1 1 59 59 ILE HD13 H 1 0.714 0.03 . 1 . . . . . 59 ILE HD1 . 15652 1
720 . 1 1 59 59 ILE HG12 H 1 1.541 0.03 . 2 . . . . . 59 ILE HG12 . 15652 1
721 . 1 1 59 59 ILE HG13 H 1 0.688 0.03 . 2 . . . . . 59 ILE HG13 . 15652 1
722 . 1 1 59 59 ILE HG21 H 1 0.734 0.03 . 1 . . . . . 59 ILE HG2 . 15652 1
723 . 1 1 59 59 ILE HG22 H 1 0.734 0.03 . 1 . . . . . 59 ILE HG2 . 15652 1
724 . 1 1 59 59 ILE HG23 H 1 0.734 0.03 . 1 . . . . . 59 ILE HG2 . 15652 1
725 . 1 1 59 59 ILE C C 13 176.705 0.3 . 1 . . . . . 59 ILE C . 15652 1
726 . 1 1 59 59 ILE CA C 13 64.224 0.3 . 1 . . . . . 59 ILE CA . 15652 1
727 . 1 1 59 59 ILE CB C 13 38.989 0.3 . 1 . . . . . 59 ILE CB . 15652 1
728 . 1 1 59 59 ILE CD1 C 13 13.387 0.3 . 1 . . . . . 59 ILE CD1 . 15652 1
729 . 1 1 59 59 ILE CG1 C 13 30.802 0.3 . 1 . . . . . 59 ILE CG1 . 15652 1
730 . 1 1 59 59 ILE CG2 C 13 16.637 0.3 . 1 . . . . . 59 ILE CG2 . 15652 1
731 . 1 1 59 59 ILE N N 15 119.024 0.3 . 1 . . . . . 59 ILE N . 15652 1
732 . 1 1 60 60 GLY H H 1 7.360 0.03 . 1 . . . . . 60 GLY H . 15652 1
733 . 1 1 60 60 GLY HA2 H 1 3.884 0.03 . 2 . . . . . 60 GLY HA2 . 15652 1
734 . 1 1 60 60 GLY HA3 H 1 3.614 0.03 . 2 . . . . . 60 GLY HA3 . 15652 1
735 . 1 1 60 60 GLY C C 13 173.964 0.3 . 1 . . . . . 60 GLY C . 15652 1
736 . 1 1 60 60 GLY CA C 13 44.586 0.3 . 1 . . . . . 60 GLY CA . 15652 1
737 . 1 1 60 60 GLY N N 15 106.081 0.3 . 1 . . . . . 60 GLY N . 15652 1
738 . 1 1 61 61 PRO HA H 1 4.486 0.03 . 1 . . . . . 61 PRO HA . 15652 1
739 . 1 1 61 61 PRO HB2 H 1 2.216 0.03 . 2 . . . . . 61 PRO HB2 . 15652 1
740 . 1 1 61 61 PRO HB3 H 1 1.977 0.03 . 2 . . . . . 61 PRO HB3 . 15652 1
741 . 1 1 61 61 PRO HD2 H 1 3.774 0.03 . 2 . . . . . 61 PRO HD2 . 15652 1
742 . 1 1 61 61 PRO HD3 H 1 3.688 0.03 . 2 . . . . . 61 PRO HD3 . 15652 1
743 . 1 1 61 61 PRO HG2 H 1 1.949 0.03 . 2 . . . . . 61 PRO HG2 . 15652 1
744 . 1 1 61 61 PRO HG3 H 1 1.918 0.03 . 2 . . . . . 61 PRO HG3 . 15652 1
745 . 1 1 61 61 PRO C C 13 175.603 0.3 . 1 . . . . . 61 PRO C . 15652 1
746 . 1 1 61 61 PRO CA C 13 63.473 0.3 . 1 . . . . . 61 PRO CA . 15652 1
747 . 1 1 61 61 PRO CB C 13 31.981 0.3 . 1 . . . . . 61 PRO CB . 15652 1
748 . 1 1 61 61 PRO CD C 13 50.656 0.3 . 1 . . . . . 61 PRO CD . 15652 1
749 . 1 1 61 61 PRO CG C 13 26.106 0.3 . 1 . . . . . 61 PRO CG . 15652 1
750 . 1 1 62 62 GLY H H 1 7.835 0.03 . 1 . . . . . 62 GLY H . 15652 1
751 . 1 1 62 62 GLY HA2 H 1 4.378 0.03 . 2 . . . . . 62 GLY HA2 . 15652 1
752 . 1 1 62 62 GLY HA3 H 1 3.416 0.03 . 2 . . . . . 62 GLY HA3 . 15652 1
753 . 1 1 62 62 GLY C C 13 172.596 0.3 . 1 . . . . . 62 GLY C . 15652 1
754 . 1 1 62 62 GLY CA C 13 44.498 0.3 . 1 . . . . . 62 GLY CA . 15652 1
755 . 1 1 62 62 GLY N N 15 110.214 0.3 . 1 . . . . . 62 GLY N . 15652 1
756 . 1 1 63 63 VAL H H 1 8.646 0.03 . 1 . . . . . 63 VAL H . 15652 1
757 . 1 1 63 63 VAL HA H 1 3.668 0.03 . 1 . . . . . 63 VAL HA . 15652 1
758 . 1 1 63 63 VAL HB H 1 1.777 0.03 . 1 . . . . . 63 VAL HB . 15652 1
759 . 1 1 63 63 VAL HG11 H 1 0.119 0.03 . 1 . . . . . 63 VAL HG1 . 15652 1
760 . 1 1 63 63 VAL HG12 H 1 0.119 0.03 . 1 . . . . . 63 VAL HG1 . 15652 1
761 . 1 1 63 63 VAL HG13 H 1 0.119 0.03 . 1 . . . . . 63 VAL HG1 . 15652 1
762 . 1 1 63 63 VAL HG21 H 1 0.692 0.03 . 1 . . . . . 63 VAL HG2 . 15652 1
763 . 1 1 63 63 VAL HG22 H 1 0.692 0.03 . 1 . . . . . 63 VAL HG2 . 15652 1
764 . 1 1 63 63 VAL HG23 H 1 0.692 0.03 . 1 . . . . . 63 VAL HG2 . 15652 1
765 . 1 1 63 63 VAL C C 13 175.808 0.3 . 1 . . . . . 63 VAL C . 15652 1
766 . 1 1 63 63 VAL CA C 13 63.681 0.3 . 1 . . . . . 63 VAL CA . 15652 1
767 . 1 1 63 63 VAL CB C 13 32.863 0.3 . 1 . . . . . 63 VAL CB . 15652 1
768 . 1 1 63 63 VAL CG1 C 13 20.900 0.3 . 1 . . . . . 63 VAL CG1 . 15652 1
769 . 1 1 63 63 VAL CG2 C 13 22.073 0.3 . 1 . . . . . 63 VAL CG2 . 15652 1
770 . 1 1 63 63 VAL N N 15 122.735 0.3 . 1 . . . . . 63 VAL N . 15652 1
771 . 1 1 64 64 ARG H H 1 9.524 0.03 . 1 . . . . . 64 ARG H . 15652 1
772 . 1 1 64 64 ARG HA H 1 4.254 0.03 . 1 . . . . . 64 ARG HA . 15652 1
773 . 1 1 64 64 ARG HB2 H 1 1.560 0.03 . 2 . . . . . 64 ARG HB2 . 15652 1
774 . 1 1 64 64 ARG HB3 H 1 1.240 0.03 . 2 . . . . . 64 ARG HB3 . 15652 1
775 . 1 1 64 64 ARG HD2 H 1 3.140 0.03 . 2 . . . . . 64 ARG HD2 . 15652 1
776 . 1 1 64 64 ARG HD3 H 1 3.140 0.03 . 2 . . . . . 64 ARG HD3 . 15652 1
777 . 1 1 64 64 ARG HG2 H 1 1.558 0.03 . 2 . . . . . 64 ARG HG2 . 15652 1
778 . 1 1 64 64 ARG HG3 H 1 1.558 0.03 . 2 . . . . . 64 ARG HG3 . 15652 1
779 . 1 1 64 64 ARG C C 13 175.574 0.3 . 1 . . . . . 64 ARG C . 15652 1
780 . 1 1 64 64 ARG CA C 13 57.310 0.3 . 1 . . . . . 64 ARG CA . 15652 1
781 . 1 1 64 64 ARG CB C 13 31.928 0.3 . 1 . . . . . 64 ARG CB . 15652 1
782 . 1 1 64 64 ARG CD C 13 43.649 0.3 . 1 . . . . . 64 ARG CD . 15652 1
783 . 1 1 64 64 ARG CG C 13 26.638 0.3 . 1 . . . . . 64 ARG CG . 15652 1
784 . 1 1 64 64 ARG N N 15 129.782 0.3 . 1 . . . . . 64 ARG N . 15652 1
785 . 1 1 65 65 ASN H H 1 8.089 0.03 . 1 . . . . . 65 ASN H . 15652 1
786 . 1 1 65 65 ASN HA H 1 4.662 0.03 . 1 . . . . . 65 ASN HA . 15652 1
787 . 1 1 65 65 ASN HB2 H 1 2.935 0.03 . 2 . . . . . 65 ASN HB2 . 15652 1
788 . 1 1 65 65 ASN HB3 H 1 2.615 0.03 . 2 . . . . . 65 ASN HB3 . 15652 1
789 . 1 1 65 65 ASN HD21 H 1 7.416 0.03 . 1 . . . . . 65 ASN HD21 . 15652 1
790 . 1 1 65 65 ASN HD22 H 1 7.177 0.03 . 1 . . . . . 65 ASN HD22 . 15652 1
791 . 1 1 65 65 ASN C C 13 171.753 0.3 . 1 . . . . . 65 ASN C . 15652 1
792 . 1 1 65 65 ASN CA C 13 53.279 0.3 . 1 . . . . . 65 ASN CA . 15652 1
793 . 1 1 65 65 ASN CB C 13 43.717 0.3 . 1 . . . . . 65 ASN CB . 15652 1
794 . 1 1 65 65 ASN N N 15 114.163 0.3 . 1 . . . . . 65 ASN N . 15652 1
795 . 1 1 65 65 ASN ND2 N 15 112.280 0.3 . 1 . . . . . 65 ASN ND2 . 15652 1
796 . 1 1 66 66 PHE H H 1 9.064 0.03 . 1 . . . . . 66 PHE H . 15652 1
797 . 1 1 66 66 PHE HA H 1 5.738 0.03 . 1 . . . . . 66 PHE HA . 15652 1
798 . 1 1 66 66 PHE HB2 H 1 2.943 0.03 . 2 . . . . . 66 PHE HB2 . 15652 1
799 . 1 1 66 66 PHE HB3 H 1 2.722 0.03 . 2 . . . . . 66 PHE HB3 . 15652 1
800 . 1 1 66 66 PHE HD1 H 1 7.123 0.03 . 3 . . . . . 66 PHE HD1 . 15652 1
801 . 1 1 66 66 PHE HD2 H 1 7.120 0.03 . 3 . . . . . 66 PHE HD2 . 15652 1
802 . 1 1 66 66 PHE HE1 H 1 7.120 0.03 . 3 . . . . . 66 PHE HE1 . 15652 1
803 . 1 1 66 66 PHE HE2 H 1 7.120 0.03 . 3 . . . . . 66 PHE HE2 . 15652 1
804 . 1 1 66 66 PHE HZ H 1 6.651 0.03 . 1 . . . . . 66 PHE HZ . 15652 1
805 . 1 1 66 66 PHE C C 13 174.834 0.3 . 1 . . . . . 66 PHE C . 15652 1
806 . 1 1 66 66 PHE CA C 13 56.578 0.3 . 1 . . . . . 66 PHE CA . 15652 1
807 . 1 1 66 66 PHE CB C 13 41.888 0.3 . 1 . . . . . 66 PHE CB . 15652 1
808 . 1 1 66 66 PHE CD1 C 13 131.676 0.3 . 3 . . . . . 66 PHE CD1 . 15652 1
809 . 1 1 66 66 PHE CD2 C 13 131.676 0.3 . 3 . . . . . 66 PHE CD2 . 15652 1
810 . 1 1 66 66 PHE CE1 C 13 131.676 0.3 . 3 . . . . . 66 PHE CE1 . 15652 1
811 . 1 1 66 66 PHE CE2 C 13 131.676 0.3 . 3 . . . . . 66 PHE CE2 . 15652 1
812 . 1 1 66 66 PHE CZ C 13 128.405 0.3 . 1 . . . . . 66 PHE CZ . 15652 1
813 . 1 1 66 66 PHE N N 15 114.774 0.3 . 1 . . . . . 66 PHE N . 15652 1
814 . 1 1 67 67 GLU H H 1 9.328 0.03 . 1 . . . . . 67 GLU H . 15652 1
815 . 1 1 67 67 GLU HA H 1 5.307 0.03 . 1 . . . . . 67 GLU HA . 15652 1
816 . 1 1 67 67 GLU HB2 H 1 1.912 0.03 . 2 . . . . . 67 GLU HB2 . 15652 1
817 . 1 1 67 67 GLU HB3 H 1 1.848 0.03 . 2 . . . . . 67 GLU HB3 . 15652 1
818 . 1 1 67 67 GLU HG2 H 1 2.144 0.03 . 2 . . . . . 67 GLU HG2 . 15652 1
819 . 1 1 67 67 GLU HG3 H 1 2.059 0.03 . 2 . . . . . 67 GLU HG3 . 15652 1
820 . 1 1 67 67 GLU C C 13 174.999 0.3 . 1 . . . . . 67 GLU C . 15652 1
821 . 1 1 67 67 GLU CA C 13 54.003 0.3 . 1 . . . . . 67 GLU CA . 15652 1
822 . 1 1 67 67 GLU CB C 13 35.678 0.3 . 1 . . . . . 67 GLU CB . 15652 1
823 . 1 1 67 67 GLU CG C 13 36.717 0.3 . 1 . . . . . 67 GLU CG . 15652 1
824 . 1 1 67 67 GLU N N 15 122.005 0.3 . 1 . . . . . 67 GLU N . 15652 1
825 . 1 1 68 68 VAL H H 1 8.598 0.03 . 1 . . . . . 68 VAL H . 15652 1
826 . 1 1 68 68 VAL HA H 1 4.859 0.03 . 1 . . . . . 68 VAL HA . 15652 1
827 . 1 1 68 68 VAL HB H 1 1.841 0.03 . 1 . . . . . 68 VAL HB . 15652 1
828 . 1 1 68 68 VAL HG11 H 1 0.588 0.03 . 1 . . . . . 68 VAL HG1 . 15652 1
829 . 1 1 68 68 VAL HG12 H 1 0.588 0.03 . 1 . . . . . 68 VAL HG1 . 15652 1
830 . 1 1 68 68 VAL HG13 H 1 0.588 0.03 . 1 . . . . . 68 VAL HG1 . 15652 1
831 . 1 1 68 68 VAL HG21 H 1 0.715 0.03 . 1 . . . . . 68 VAL HG2 . 15652 1
832 . 1 1 68 68 VAL HG22 H 1 0.715 0.03 . 1 . . . . . 68 VAL HG2 . 15652 1
833 . 1 1 68 68 VAL HG23 H 1 0.715 0.03 . 1 . . . . . 68 VAL HG2 . 15652 1
834 . 1 1 68 68 VAL C C 13 175.361 0.3 . 1 . . . . . 68 VAL C . 15652 1
835 . 1 1 68 68 VAL CA C 13 62.102 0.3 . 1 . . . . . 68 VAL CA . 15652 1
836 . 1 1 68 68 VAL CB C 13 32.865 0.3 . 1 . . . . . 68 VAL CB . 15652 1
837 . 1 1 68 68 VAL CG1 C 13 21.487 0.3 . 1 . . . . . 68 VAL CG1 . 15652 1
838 . 1 1 68 68 VAL CG2 C 13 22.794 0.3 . 1 . . . . . 68 VAL CG2 . 15652 1
839 . 1 1 68 68 VAL N N 15 124.692 0.3 . 1 . . . . . 68 VAL N . 15652 1
840 . 1 1 69 69 ARG H H 1 8.896 0.03 . 1 . . . . . 69 ARG H . 15652 1
841 . 1 1 69 69 ARG HA H 1 4.888 0.03 . 1 . . . . . 69 ARG HA . 15652 1
842 . 1 1 69 69 ARG HB2 H 1 1.841 0.03 . 2 . . . . . 69 ARG HB2 . 15652 1
843 . 1 1 69 69 ARG HB3 H 1 1.501 0.03 . 2 . . . . . 69 ARG HB3 . 15652 1
844 . 1 1 69 69 ARG HD2 H 1 2.357 0.03 . 2 . . . . . 69 ARG HD2 . 15652 1
845 . 1 1 69 69 ARG HD3 H 1 0.892 0.03 . 2 . . . . . 69 ARG HD3 . 15652 1
846 . 1 1 69 69 ARG HG2 H 1 1.508 0.03 . 2 . . . . . 69 ARG HG2 . 15652 1
847 . 1 1 69 69 ARG HG3 H 1 1.113 0.03 . 2 . . . . . 69 ARG HG3 . 15652 1
848 . 1 1 69 69 ARG C C 13 175.469 0.3 . 1 . . . . . 69 ARG C . 15652 1
849 . 1 1 69 69 ARG CA C 13 54.384 0.3 . 1 . . . . . 69 ARG CA . 15652 1
850 . 1 1 69 69 ARG CB C 13 34.979 0.3 . 1 . . . . . 69 ARG CB . 15652 1
851 . 1 1 69 69 ARG CD C 13 42.229 0.3 . 1 . . . . . 69 ARG CD . 15652 1
852 . 1 1 69 69 ARG CG C 13 27.663 0.3 . 1 . . . . . 69 ARG CG . 15652 1
853 . 1 1 69 69 ARG N N 15 123.599 0.3 . 1 . . . . . 69 ARG N . 15652 1
854 . 1 1 70 70 SER H H 1 8.758 0.03 . 1 . . . . . 70 SER H . 15652 1
855 . 1 1 70 70 SER HA H 1 4.511 0.03 . 1 . . . . . 70 SER HA . 15652 1
856 . 1 1 70 70 SER HB2 H 1 3.896 0.03 . 2 . . . . . 70 SER HB2 . 15652 1
857 . 1 1 70 70 SER HB3 H 1 3.856 0.03 . 2 . . . . . 70 SER HB3 . 15652 1
858 . 1 1 70 70 SER C C 13 173.488 0.3 . 1 . . . . . 70 SER C . 15652 1
859 . 1 1 70 70 SER CA C 13 59.858 0.3 . 1 . . . . . 70 SER CA . 15652 1
860 . 1 1 70 70 SER CB C 13 63.927 0.3 . 1 . . . . . 70 SER CB . 15652 1
861 . 1 1 70 70 SER N N 15 116.239 0.3 . 1 . . . . . 70 SER N . 15652 1
862 . 1 1 71 71 ALA H H 1 8.456 0.03 . 1 . . . . . 71 ALA H . 15652 1
863 . 1 1 71 71 ALA HA H 1 4.688 0.03 . 1 . . . . . 71 ALA HA . 15652 1
864 . 1 1 71 71 ALA HB1 H 1 1.351 0.03 . 1 . . . . . 71 ALA HB . 15652 1
865 . 1 1 71 71 ALA HB2 H 1 1.351 0.03 . 1 . . . . . 71 ALA HB . 15652 1
866 . 1 1 71 71 ALA HB3 H 1 1.351 0.03 . 1 . . . . . 71 ALA HB . 15652 1
867 . 1 1 71 71 ALA C C 13 176.054 0.3 . 1 . . . . . 71 ALA C . 15652 1
868 . 1 1 71 71 ALA CA C 13 51.016 0.3 . 1 . . . . . 71 ALA CA . 15652 1
869 . 1 1 71 71 ALA CB C 13 20.324 0.3 . 1 . . . . . 71 ALA CB . 15652 1
870 . 1 1 71 71 ALA N N 15 128.999 0.3 . 1 . . . . . 71 ALA N . 15652 1
871 . 1 1 72 72 ASP H H 1 7.968 0.03 . 1 . . . . . 72 ASP H . 15652 1
872 . 1 1 72 72 ASP HA H 1 4.361 0.03 . 1 . . . . . 72 ASP HA . 15652 1
873 . 1 1 72 72 ASP HB2 H 1 2.425 0.03 . 2 . . . . . 72 ASP HB2 . 15652 1
874 . 1 1 72 72 ASP HB3 H 1 2.296 0.03 . 2 . . . . . 72 ASP HB3 . 15652 1
875 . 1 1 72 72 ASP C C 13 176.444 0.3 . 1 . . . . . 72 ASP C . 15652 1
876 . 1 1 72 72 ASP CA C 13 54.732 0.3 . 1 . . . . . 72 ASP CA . 15652 1
877 . 1 1 72 72 ASP CB C 13 41.060 0.3 . 1 . . . . . 72 ASP CB . 15652 1
878 . 1 1 72 72 ASP N N 15 118.176 0.3 . 1 . . . . . 72 ASP N . 15652 1
879 . 1 1 73 73 TYR H H 1 8.768 0.03 . 1 . . . . . 73 TYR H . 15652 1
880 . 1 1 73 73 TYR HA H 1 4.309 0.03 . 1 . . . . . 73 TYR HA . 15652 1
881 . 1 1 73 73 TYR HB2 H 1 3.194 0.03 . 2 . . . . . 73 TYR HB2 . 15652 1
882 . 1 1 73 73 TYR HB3 H 1 3.104 0.03 . 2 . . . . . 73 TYR HB3 . 15652 1
883 . 1 1 73 73 TYR HD1 H 1 7.114 0.03 . 3 . . . . . 73 TYR HD1 . 15652 1
884 . 1 1 73 73 TYR HD2 H 1 7.114 0.03 . 3 . . . . . 73 TYR HD2 . 15652 1
885 . 1 1 73 73 TYR HE1 H 1 6.870 0.03 . 3 . . . . . 73 TYR HE1 . 15652 1
886 . 1 1 73 73 TYR HE2 H 1 6.870 0.03 . 3 . . . . . 73 TYR HE2 . 15652 1
887 . 1 1 73 73 TYR C C 13 176.601 0.3 . 1 . . . . . 73 TYR C . 15652 1
888 . 1 1 73 73 TYR CA C 13 58.799 0.3 . 1 . . . . . 73 TYR CA . 15652 1
889 . 1 1 73 73 TYR CB C 13 36.239 0.3 . 1 . . . . . 73 TYR CB . 15652 1
890 . 1 1 73 73 TYR CD1 C 13 133.293 0.3 . 3 . . . . . 73 TYR CD1 . 15652 1
891 . 1 1 73 73 TYR CD2 C 13 133.293 0.3 . 3 . . . . . 73 TYR CD2 . 15652 1
892 . 1 1 73 73 TYR CE1 C 13 118.377 0.3 . 3 . . . . . 73 TYR CE1 . 15652 1
893 . 1 1 73 73 TYR CE2 C 13 118.377 0.3 . 3 . . . . . 73 TYR CE2 . 15652 1
894 . 1 1 73 73 TYR N N 15 117.846 0.3 . 1 . . . . . 73 TYR N . 15652 1
895 . 1 1 74 74 GLY H H 1 8.533 0.03 . 1 . . . . . 74 GLY H . 15652 1
896 . 1 1 74 74 GLY HA2 H 1 4.069 0.03 . 2 . . . . . 74 GLY HA2 . 15652 1
897 . 1 1 74 74 GLY HA3 H 1 3.844 0.03 . 2 . . . . . 74 GLY HA3 . 15652 1
898 . 1 1 74 74 GLY C C 13 175.060 0.3 . 1 . . . . . 74 GLY C . 15652 1
899 . 1 1 74 74 GLY CA C 13 46.117 0.3 . 1 . . . . . 74 GLY CA . 15652 1
900 . 1 1 74 74 GLY N N 15 108.255 0.3 . 1 . . . . . 74 GLY N . 15652 1
901 . 1 1 75 75 THR H H 1 7.534 0.03 . 1 . . . . . 75 THR H . 15652 1
902 . 1 1 75 75 THR HA H 1 4.687 0.03 . 1 . . . . . 75 THR HA . 15652 1
903 . 1 1 75 75 THR HB H 1 4.389 0.03 . 1 . . . . . 75 THR HB . 15652 1
904 . 1 1 75 75 THR HG21 H 1 1.282 0.03 . 1 . . . . . 75 THR HG2 . 15652 1
905 . 1 1 75 75 THR HG22 H 1 1.282 0.03 . 1 . . . . . 75 THR HG2 . 15652 1
906 . 1 1 75 75 THR HG23 H 1 1.282 0.03 . 1 . . . . . 75 THR HG2 . 15652 1
907 . 1 1 75 75 THR C C 13 173.779 0.3 . 1 . . . . . 75 THR C . 15652 1
908 . 1 1 75 75 THR CA C 13 61.115 0.3 . 1 . . . . . 75 THR CA . 15652 1
909 . 1 1 75 75 THR CB C 13 71.585 0.3 . 1 . . . . . 75 THR CB . 15652 1
910 . 1 1 75 75 THR CG2 C 13 21.497 0.3 . 1 . . . . . 75 THR CG2 . 15652 1
911 . 1 1 75 75 THR N N 15 111.431 0.3 . 1 . . . . . 75 THR N . 15652 1
912 . 1 1 76 76 GLN H H 1 8.590 0.03 . 1 . . . . . 76 GLN H . 15652 1
913 . 1 1 76 76 GLN HA H 1 5.238 0.03 . 1 . . . . . 76 GLN HA . 15652 1
914 . 1 1 76 76 GLN HB2 H 1 1.998 0.03 . 2 . . . . . 76 GLN HB2 . 15652 1
915 . 1 1 76 76 GLN HB3 H 1 1.680 0.03 . 2 . . . . . 76 GLN HB3 . 15652 1
916 . 1 1 76 76 GLN HE21 H 1 5.929 0.03 . 1 . . . . . 76 GLN HE21 . 15652 1
917 . 1 1 76 76 GLN HE22 H 1 7.229 0.03 . 1 . . . . . 76 GLN HE22 . 15652 1
918 . 1 1 76 76 GLN HG2 H 1 2.150 0.03 . 2 . . . . . 76 GLN HG2 . 15652 1
919 . 1 1 76 76 GLN HG3 H 1 1.936 0.03 . 2 . . . . . 76 GLN HG3 . 15652 1
920 . 1 1 76 76 GLN C C 13 173.605 0.3 . 1 . . . . . 76 GLN C . 15652 1
921 . 1 1 76 76 GLN CA C 13 54.556 0.3 . 1 . . . . . 76 GLN CA . 15652 1
922 . 1 1 76 76 GLN CB C 13 31.657 0.3 . 1 . . . . . 76 GLN CB . 15652 1
923 . 1 1 76 76 GLN CG C 13 33.366 0.3 . 1 . . . . . 76 GLN CG . 15652 1
924 . 1 1 76 76 GLN N N 15 117.495 0.3 . 1 . . . . . 76 GLN N . 15652 1
925 . 1 1 76 76 GLN NE2 N 15 112.198 0.3 . 1 . . . . . 76 GLN NE2 . 15652 1
926 . 1 1 77 77 CYS H H 1 9.058 0.03 . 1 . . . . . 77 CYS H . 15652 1
927 . 1 1 77 77 CYS HA H 1 4.780 0.03 . 1 . . . . . 77 CYS HA . 15652 1
928 . 1 1 77 77 CYS HB2 H 1 3.104 0.03 . 2 . . . . . 77 CYS HB2 . 15652 1
929 . 1 1 77 77 CYS HB3 H 1 2.957 0.03 . 2 . . . . . 77 CYS HB3 . 15652 1
930 . 1 1 77 77 CYS C C 13 172.371 0.3 . 1 . . . . . 77 CYS C . 15652 1
931 . 1 1 77 77 CYS CA C 13 56.886 0.3 . 1 . . . . . 77 CYS CA . 15652 1
932 . 1 1 77 77 CYS CB C 13 31.492 0.3 . 1 . . . . . 77 CYS CB . 15652 1
933 . 1 1 77 77 CYS N N 15 114.572 0.3 . 1 . . . . . 77 CYS N . 15652 1
934 . 1 1 78 78 PHE H H 1 8.872 0.03 . 1 . . . . . 78 PHE H . 15652 1
935 . 1 1 78 78 PHE HA H 1 5.419 0.03 . 1 . . . . . 78 PHE HA . 15652 1
936 . 1 1 78 78 PHE HB2 H 1 3.100 0.03 . 2 . . . . . 78 PHE HB2 . 15652 1
937 . 1 1 78 78 PHE HB3 H 1 3.020 0.03 . 2 . . . . . 78 PHE HB3 . 15652 1
938 . 1 1 78 78 PHE HD1 H 1 7.149 0.03 . 3 . . . . . 78 PHE HD1 . 15652 1
939 . 1 1 78 78 PHE HD2 H 1 7.158 0.03 . 3 . . . . . 78 PHE HD2 . 15652 1
940 . 1 1 78 78 PHE HE1 H 1 6.799 0.03 . 3 . . . . . 78 PHE HE1 . 15652 1
941 . 1 1 78 78 PHE HE2 H 1 6.791 0.03 . 3 . . . . . 78 PHE HE2 . 15652 1
942 . 1 1 78 78 PHE HZ H 1 6.862 0.03 . 1 . . . . . 78 PHE HZ . 15652 1
943 . 1 1 78 78 PHE CA C 13 58.466 0.3 . 1 . . . . . 78 PHE CA . 15652 1
944 . 1 1 78 78 PHE CB C 13 42.360 0.3 . 1 . . . . . 78 PHE CB . 15652 1
945 . 1 1 78 78 PHE CD1 C 13 132.064 0.3 . 3 . . . . . 78 PHE CD1 . 15652 1
946 . 1 1 78 78 PHE CD2 C 13 132.064 0.3 . 3 . . . . . 78 PHE CD2 . 15652 1
947 . 1 1 78 78 PHE CE1 C 13 131.203 0.3 . 3 . . . . . 78 PHE CE1 . 15652 1
948 . 1 1 78 78 PHE CE2 C 13 131.203 0.3 . 3 . . . . . 78 PHE CE2 . 15652 1
949 . 1 1 78 78 PHE CZ C 13 130.003 0.3 . 1 . . . . . 78 PHE CZ . 15652 1
950 . 1 1 78 78 PHE N N 15 120.396 0.3 . 1 . . . . . 78 PHE N . 15652 1
951 . 1 1 79 79 TRP H H 1 10.003 0.03 . 1 . . . . . 79 TRP H . 15652 1
952 . 1 1 79 79 TRP HA H 1 4.907 0.03 . 1 . . . . . 79 TRP HA . 15652 1
953 . 1 1 79 79 TRP HB2 H 1 2.949 0.03 . 2 . . . . . 79 TRP HB2 . 15652 1
954 . 1 1 79 79 TRP HB3 H 1 2.958 0.03 . 2 . . . . . 79 TRP HB3 . 15652 1
955 . 1 1 79 79 TRP HD1 H 1 7.130 0.03 . 1 . . . . . 79 TRP HD1 . 15652 1
956 . 1 1 79 79 TRP HE1 H 1 10.262 0.03 . 1 . . . . . 79 TRP HE1 . 15652 1
957 . 1 1 79 79 TRP HE3 H 1 7.222 0.03 . 1 . . . . . 79 TRP HE3 . 15652 1
958 . 1 1 79 79 TRP HH2 H 1 7.231 0.03 . 1 . . . . . 79 TRP HH2 . 15652 1
959 . 1 1 79 79 TRP HZ2 H 1 7.435 0.03 . 1 . . . . . 79 TRP HZ2 . 15652 1
960 . 1 1 79 79 TRP HZ3 H 1 6.946 0.03 . 1 . . . . . 79 TRP HZ3 . 15652 1
961 . 1 1 79 79 TRP CA C 13 57.535 0.3 . 1 . . . . . 79 TRP CA . 15652 1
962 . 1 1 79 79 TRP CB C 13 30.788 0.3 . 1 . . . . . 79 TRP CB . 15652 1
963 . 1 1 79 79 TRP CD1 C 13 124.851 0.3 . 1 . . . . . 79 TRP CD1 . 15652 1
964 . 1 1 79 79 TRP CE3 C 13 120.141 0.3 . 1 . . . . . 79 TRP CE3 . 15652 1
965 . 1 1 79 79 TRP CH2 C 13 124.836 0.3 . 1 . . . . . 79 TRP CH2 . 15652 1
966 . 1 1 79 79 TRP CZ2 C 13 114.430 0.3 . 1 . . . . . 79 TRP CZ2 . 15652 1
967 . 1 1 79 79 TRP CZ3 C 13 122.143 0.3 . 1 . . . . . 79 TRP CZ3 . 15652 1
968 . 1 1 79 79 TRP N N 15 120.993 0.3 . 1 . . . . . 79 TRP N . 15652 1
969 . 1 1 79 79 TRP NE1 N 15 130.369 0.3 . 1 . . . . . 79 TRP NE1 . 15652 1
970 . 1 1 80 80 ILE H H 1 9.669 0.03 . 1 . . . . . 80 ILE H . 15652 1
971 . 1 1 80 80 ILE HA H 1 3.773 0.03 . 1 . . . . . 80 ILE HA . 15652 1
972 . 1 1 80 80 ILE HB H 1 1.859 0.03 . 1 . . . . . 80 ILE HB . 15652 1
973 . 1 1 80 80 ILE HD11 H 1 0.536 0.03 . 1 . . . . . 80 ILE HD1 . 15652 1
974 . 1 1 80 80 ILE HD12 H 1 0.536 0.03 . 1 . . . . . 80 ILE HD1 . 15652 1
975 . 1 1 80 80 ILE HD13 H 1 0.536 0.03 . 1 . . . . . 80 ILE HD1 . 15652 1
976 . 1 1 80 80 ILE HG12 H 1 1.761 0.03 . 2 . . . . . 80 ILE HG12 . 15652 1
977 . 1 1 80 80 ILE HG13 H 1 0.752 0.03 . 2 . . . . . 80 ILE HG13 . 15652 1
978 . 1 1 80 80 ILE HG21 H 1 0.615 0.03 . 1 . . . . . 80 ILE HG2 . 15652 1
979 . 1 1 80 80 ILE HG22 H 1 0.615 0.03 . 1 . . . . . 80 ILE HG2 . 15652 1
980 . 1 1 80 80 ILE HG23 H 1 0.615 0.03 . 1 . . . . . 80 ILE HG2 . 15652 1
981 . 1 1 80 80 ILE C C 13 174.675 0.3 . 1 . . . . . 80 ILE C . 15652 1
982 . 1 1 80 80 ILE CA C 13 61.505 0.3 . 1 . . . . . 80 ILE CA . 15652 1
983 . 1 1 80 80 ILE CB C 13 40.765 0.3 . 1 . . . . . 80 ILE CB . 15652 1
984 . 1 1 80 80 ILE CD1 C 13 15.872 0.3 . 1 . . . . . 80 ILE CD1 . 15652 1
985 . 1 1 80 80 ILE CG1 C 13 28.436 0.3 . 1 . . . . . 80 ILE CG1 . 15652 1
986 . 1 1 80 80 ILE CG2 C 13 19.289 0.3 . 1 . . . . . 80 ILE CG2 . 15652 1
987 . 1 1 80 80 ILE N N 15 122.205 0.3 . 1 . . . . . 80 ILE N . 15652 1
988 . 1 1 81 81 LEU H H 1 8.489 0.03 . 1 . . . . . 81 LEU H . 15652 1
989 . 1 1 81 81 LEU HA H 1 5.037 0.03 . 1 . . . . . 81 LEU HA . 15652 1
990 . 1 1 81 81 LEU HB2 H 1 1.670 0.03 . 2 . . . . . 81 LEU HB2 . 15652 1
991 . 1 1 81 81 LEU HB3 H 1 1.606 0.03 . 2 . . . . . 81 LEU HB3 . 15652 1
992 . 1 1 81 81 LEU HD11 H 1 0.843 0.03 . 1 . . . . . 81 LEU HD1 . 15652 1
993 . 1 1 81 81 LEU HD12 H 1 0.843 0.03 . 1 . . . . . 81 LEU HD1 . 15652 1
994 . 1 1 81 81 LEU HD13 H 1 0.843 0.03 . 1 . . . . . 81 LEU HD1 . 15652 1
995 . 1 1 81 81 LEU HD21 H 1 0.822 0.03 . 1 . . . . . 81 LEU HD2 . 15652 1
996 . 1 1 81 81 LEU HD22 H 1 0.822 0.03 . 1 . . . . . 81 LEU HD2 . 15652 1
997 . 1 1 81 81 LEU HD23 H 1 0.822 0.03 . 1 . . . . . 81 LEU HD2 . 15652 1
998 . 1 1 81 81 LEU HG H 1 1.676 0.03 . 1 . . . . . 81 LEU HG . 15652 1
999 . 1 1 81 81 LEU C C 13 177.301 0.3 . 1 . . . . . 81 LEU C . 15652 1
1000 . 1 1 81 81 LEU CA C 13 53.483 0.3 . 1 . . . . . 81 LEU CA . 15652 1
1001 . 1 1 81 81 LEU CB C 13 40.344 0.3 . 1 . . . . . 81 LEU CB . 15652 1
1002 . 1 1 81 81 LEU CD1 C 13 24.795 0.3 . 1 . . . . . 81 LEU CD1 . 15652 1
1003 . 1 1 81 81 LEU CD2 C 13 23.855 0.3 . 1 . . . . . 81 LEU CD2 . 15652 1
1004 . 1 1 81 81 LEU CG C 13 28.032 0.3 . 1 . . . . . 81 LEU CG . 15652 1
1005 . 1 1 81 81 LEU N N 15 127.849 0.3 . 1 . . . . . 81 LEU N . 15652 1
1006 . 1 1 82 82 ARG H H 1 8.980 0.03 . 1 . . . . . 82 ARG H . 15652 1
1007 . 1 1 82 82 ARG HA H 1 5.127 0.03 . 1 . . . . . 82 ARG HA . 15652 1
1008 . 1 1 82 82 ARG HB2 H 1 2.204 0.03 . 2 . . . . . 82 ARG HB2 . 15652 1
1009 . 1 1 82 82 ARG HB3 H 1 1.837 0.03 . 2 . . . . . 82 ARG HB3 . 15652 1
1010 . 1 1 82 82 ARG HD2 H 1 3.272 0.03 . 2 . . . . . 82 ARG HD2 . 15652 1
1011 . 1 1 82 82 ARG HD3 H 1 2.999 0.03 . 2 . . . . . 82 ARG HD3 . 15652 1
1012 . 1 1 82 82 ARG HG2 H 1 1.502 0.03 . 2 . . . . . 82 ARG HG2 . 15652 1
1013 . 1 1 82 82 ARG HG3 H 1 1.370 0.03 . 2 . . . . . 82 ARG HG3 . 15652 1
1014 . 1 1 82 82 ARG C C 13 179.527 0.3 . 1 . . . . . 82 ARG C . 15652 1
1015 . 1 1 82 82 ARG CA C 13 57.410 0.3 . 1 . . . . . 82 ARG CA . 15652 1
1016 . 1 1 82 82 ARG CB C 13 31.995 0.3 . 1 . . . . . 82 ARG CB . 15652 1
1017 . 1 1 82 82 ARG CD C 13 43.543 0.3 . 1 . . . . . 82 ARG CD . 15652 1
1018 . 1 1 82 82 ARG CG C 13 30.292 0.3 . 1 . . . . . 82 ARG CG . 15652 1
1019 . 1 1 82 82 ARG N N 15 121.829 0.3 . 1 . . . . . 82 ARG N . 15652 1
1020 . 1 1 83 83 THR H H 1 8.427 0.03 . 1 . . . . . 83 THR H . 15652 1
1021 . 1 1 83 83 THR HA H 1 3.823 0.03 . 1 . . . . . 83 THR HA . 15652 1
1022 . 1 1 83 83 THR HB H 1 4.293 0.03 . 1 . . . . . 83 THR HB . 15652 1
1023 . 1 1 83 83 THR HG21 H 1 0.982 0.03 . 1 . . . . . 83 THR HG2 . 15652 1
1024 . 1 1 83 83 THR HG22 H 1 0.982 0.03 . 1 . . . . . 83 THR HG2 . 15652 1
1025 . 1 1 83 83 THR HG23 H 1 0.982 0.03 . 1 . . . . . 83 THR HG2 . 15652 1
1026 . 1 1 83 83 THR C C 13 174.540 0.3 . 1 . . . . . 83 THR C . 15652 1
1027 . 1 1 83 83 THR CA C 13 64.441 0.3 . 1 . . . . . 83 THR CA . 15652 1
1028 . 1 1 83 83 THR CB C 13 67.987 0.3 . 1 . . . . . 83 THR CB . 15652 1
1029 . 1 1 83 83 THR CG2 C 13 22.165 0.3 . 1 . . . . . 83 THR CG2 . 15652 1
1030 . 1 1 83 83 THR N N 15 111.631 0.3 . 1 . . . . . 83 THR N . 15652 1
1031 . 1 1 84 84 ASP H H 1 7.431 0.03 . 1 . . . . . 84 ASP H . 15652 1
1032 . 1 1 84 84 ASP HA H 1 4.706 0.03 . 1 . . . . . 84 ASP HA . 15652 1
1033 . 1 1 84 84 ASP HB2 H 1 3.169 0.03 . 2 . . . . . 84 ASP HB2 . 15652 1
1034 . 1 1 84 84 ASP HB3 H 1 2.529 0.03 . 2 . . . . . 84 ASP HB3 . 15652 1
1035 . 1 1 84 84 ASP C C 13 177.092 0.3 . 1 . . . . . 84 ASP C . 15652 1
1036 . 1 1 84 84 ASP CA C 13 52.983 0.3 . 1 . . . . . 84 ASP CA . 15652 1
1037 . 1 1 84 84 ASP CB C 13 40.502 0.3 . 1 . . . . . 84 ASP CB . 15652 1
1038 . 1 1 84 84 ASP N N 15 117.630 0.3 . 1 . . . . . 84 ASP N . 15652 1
1039 . 1 1 85 85 GLY H H 1 7.924 0.03 . 1 . . . . . 85 GLY H . 15652 1
1040 . 1 1 85 85 GLY HA2 H 1 3.741 0.03 . 2 . . . . . 85 GLY HA2 . 15652 1
1041 . 1 1 85 85 GLY HA3 H 1 4.364 0.03 . 2 . . . . . 85 GLY HA3 . 15652 1
1042 . 1 1 85 85 GLY C C 13 174.007 0.3 . 1 . . . . . 85 GLY C . 15652 1
1043 . 1 1 85 85 GLY CA C 13 45.370 0.3 . 1 . . . . . 85 GLY CA . 15652 1
1044 . 1 1 85 85 GLY N N 15 108.078 0.3 . 1 . . . . . 85 GLY N . 15652 1
1045 . 1 1 86 86 SER H H 1 8.009 0.03 . 1 . . . . . 86 SER H . 15652 1
1046 . 1 1 86 86 SER HA H 1 4.563 0.03 . 1 . . . . . 86 SER HA . 15652 1
1047 . 1 1 86 86 SER HB2 H 1 4.134 0.03 . 2 . . . . . 86 SER HB2 . 15652 1
1048 . 1 1 86 86 SER HB3 H 1 3.982 0.03 . 2 . . . . . 86 SER HB3 . 15652 1
1049 . 1 1 86 86 SER C C 13 172.835 0.3 . 1 . . . . . 86 SER C . 15652 1
1050 . 1 1 86 86 SER CA C 13 58.731 0.3 . 1 . . . . . 86 SER CA . 15652 1
1051 . 1 1 86 86 SER CB C 13 64.803 0.3 . 1 . . . . . 86 SER CB . 15652 1
1052 . 1 1 86 86 SER N N 15 117.029 0.3 . 1 . . . . . 86 SER N . 15652 1
1053 . 1 1 87 87 GLU H H 1 8.593 0.03 . 1 . . . . . 87 GLU H . 15652 1
1054 . 1 1 87 87 GLU HA H 1 5.921 0.03 . 1 . . . . . 87 GLU HA . 15652 1
1055 . 1 1 87 87 GLU HB2 H 1 2.345 0.03 . 2 . . . . . 87 GLU HB2 . 15652 1
1056 . 1 1 87 87 GLU HB3 H 1 2.155 0.03 . 2 . . . . . 87 GLU HB3 . 15652 1
1057 . 1 1 87 87 GLU HG2 H 1 2.406 0.03 . 2 . . . . . 87 GLU HG2 . 15652 1
1058 . 1 1 87 87 GLU HG3 H 1 2.406 0.03 . 2 . . . . . 87 GLU HG3 . 15652 1
1059 . 1 1 87 87 GLU C C 13 175.873 0.3 . 1 . . . . . 87 GLU C . 15652 1
1060 . 1 1 87 87 GLU CA C 13 54.343 0.3 . 1 . . . . . 87 GLU CA . 15652 1
1061 . 1 1 87 87 GLU CB C 13 33.925 0.3 . 1 . . . . . 87 GLU CB . 15652 1
1062 . 1 1 87 87 GLU CG C 13 35.224 0.3 . 1 . . . . . 87 GLU CG . 15652 1
1063 . 1 1 87 87 GLU N N 15 116.585 0.3 . 1 . . . . . 87 GLU N . 15652 1
1064 . 1 1 88 88 GLU HA H 1 4.496 0.03 . 1 . . . . . 88 GLU HA . 15652 1
1065 . 1 1 88 88 GLU HB2 H 1 2.006 0.03 . 2 . . . . . 88 GLU HB2 . 15652 1
1066 . 1 1 88 88 GLU HB3 H 1 1.669 0.03 . 2 . . . . . 88 GLU HB3 . 15652 1
1067 . 1 1 88 88 GLU HG2 H 1 2.282 0.03 . 2 . . . . . 88 GLU HG2 . 15652 1
1068 . 1 1 88 88 GLU HG3 H 1 2.282 0.03 . 2 . . . . . 88 GLU HG3 . 15652 1
1069 . 1 1 88 88 GLU CA C 13 55.840 0.3 . 1 . . . . . 88 GLU CA . 15652 1
1070 . 1 1 88 88 GLU CB C 13 34.310 0.3 . 1 . . . . . 88 GLU CB . 15652 1
1071 . 1 1 88 88 GLU CG C 13 35.895 0.3 . 1 . . . . . 88 GLU CG . 15652 1
1072 . 1 1 89 89 ARG H H 1 8.013 0.03 . 1 . . . . . 89 ARG H . 15652 1
1073 . 1 1 89 89 ARG HA H 1 3.184 0.03 . 1 . . . . . 89 ARG HA . 15652 1
1074 . 1 1 89 89 ARG HB2 H 1 0.935 0.03 . 2 . . . . . 89 ARG HB2 . 15652 1
1075 . 1 1 89 89 ARG HB3 H 1 0.560 0.03 . 2 . . . . . 89 ARG HB3 . 15652 1
1076 . 1 1 89 89 ARG HD2 H 1 3.072 0.03 . 2 . . . . . 89 ARG HD2 . 15652 1
1077 . 1 1 89 89 ARG HD3 H 1 2.964 0.03 . 2 . . . . . 89 ARG HD3 . 15652 1
1078 . 1 1 89 89 ARG HG2 H 1 1.036 0.03 . 2 . . . . . 89 ARG HG2 . 15652 1
1079 . 1 1 89 89 ARG HG3 H 1 0.923 0.03 . 2 . . . . . 89 ARG HG3 . 15652 1
1080 . 1 1 89 89 ARG CA C 13 56.576 0.3 . 1 . . . . . 89 ARG CA . 15652 1
1081 . 1 1 89 89 ARG CB C 13 30.462 0.3 . 1 . . . . . 89 ARG CB . 15652 1
1082 . 1 1 89 89 ARG CD C 13 43.827 0.3 . 1 . . . . . 89 ARG CD . 15652 1
1083 . 1 1 89 89 ARG CG C 13 26.722 0.3 . 1 . . . . . 89 ARG CG . 15652 1
1084 . 1 1 89 89 ARG N N 15 127.945 0.3 . 1 . . . . . 89 ARG N . 15652 1
1085 . 1 1 90 90 PHE HA H 1 5.021 0.03 . 1 . . . . . 90 PHE HA . 15652 1
1086 . 1 1 90 90 PHE HB2 H 1 3.148 0.03 . 2 . . . . . 90 PHE HB2 . 15652 1
1087 . 1 1 90 90 PHE HB3 H 1 2.854 0.03 . 2 . . . . . 90 PHE HB3 . 15652 1
1088 . 1 1 90 90 PHE HD1 H 1 6.982 0.03 . 3 . . . . . 90 PHE HD1 . 15652 1
1089 . 1 1 90 90 PHE HD2 H 1 6.977 0.03 . 3 . . . . . 90 PHE HD2 . 15652 1
1090 . 1 1 90 90 PHE HE1 H 1 7.127 0.03 . 3 . . . . . 90 PHE HE1 . 15652 1
1091 . 1 1 90 90 PHE HE2 H 1 7.127 0.03 . 3 . . . . . 90 PHE HE2 . 15652 1
1092 . 1 1 90 90 PHE HZ H 1 6.862 0.03 . 1 . . . . . 90 PHE HZ . 15652 1
1093 . 1 1 90 90 PHE CA C 13 55.089 0.3 . 1 . . . . . 90 PHE CA . 15652 1
1094 . 1 1 90 90 PHE CB C 13 40.446 0.3 . 1 . . . . . 90 PHE CB . 15652 1
1095 . 1 1 90 90 PHE CD1 C 13 130.813 0.3 . 3 . . . . . 90 PHE CD1 . 15652 1
1096 . 1 1 90 90 PHE CD2 C 13 130.772 0.3 . 3 . . . . . 90 PHE CD2 . 15652 1
1097 . 1 1 90 90 PHE CE1 C 13 131.231 0.3 . 3 . . . . . 90 PHE CE1 . 15652 1
1098 . 1 1 90 90 PHE CE2 C 13 131.231 0.3 . 3 . . . . . 90 PHE CE2 . 15652 1
1099 . 1 1 90 90 PHE CZ C 13 128.754 0.3 . 1 . . . . . 90 PHE CZ . 15652 1
1100 . 1 1 91 91 SER HA H 1 4.639 0.03 . 1 . . . . . 91 SER HA . 15652 1
1101 . 1 1 91 91 SER HB2 H 1 3.966 0.03 . 2 . . . . . 91 SER HB2 . 15652 1
1102 . 1 1 91 91 SER HB3 H 1 3.965 0.03 . 2 . . . . . 91 SER HB3 . 15652 1
1103 . 1 1 91 91 SER CA C 13 56.242 0.3 . 1 . . . . . 91 SER CA . 15652 1
1104 . 1 1 91 91 SER CB C 13 62.621 0.3 . 1 . . . . . 91 SER CB . 15652 1
1105 . 1 1 92 92 TYR HA H 1 4.268 0.03 . 1 . . . . . 92 TYR HA . 15652 1
1106 . 1 1 92 92 TYR HB2 H 1 3.438 0.03 . 2 . . . . . 92 TYR HB2 . 15652 1
1107 . 1 1 92 92 TYR HB3 H 1 2.367 0.03 . 2 . . . . . 92 TYR HB3 . 15652 1
1108 . 1 1 92 92 TYR HD1 H 1 7.152 0.03 . 3 . . . . . 92 TYR HD1 . 15652 1
1109 . 1 1 92 92 TYR HD2 H 1 7.152 0.03 . 3 . . . . . 92 TYR HD2 . 15652 1
1110 . 1 1 92 92 TYR HE1 H 1 6.865 0.03 . 3 . . . . . 92 TYR HE1 . 15652 1
1111 . 1 1 92 92 TYR HE2 H 1 6.865 0.03 . 3 . . . . . 92 TYR HE2 . 15652 1
1112 . 1 1 92 92 TYR C C 13 176.450 0.3 . 1 . . . . . 92 TYR C . 15652 1
1113 . 1 1 92 92 TYR CA C 13 59.575 0.3 . 1 . . . . . 92 TYR CA . 15652 1
1114 . 1 1 92 92 TYR CB C 13 37.283 0.3 . 1 . . . . . 92 TYR CB . 15652 1
1115 . 1 1 92 92 TYR CD1 C 13 133.494 0.3 . 3 . . . . . 92 TYR CD1 . 15652 1
1116 . 1 1 92 92 TYR CD2 C 13 133.494 0.3 . 3 . . . . . 92 TYR CD2 . 15652 1
1117 . 1 1 92 92 TYR CE1 C 13 118.168 0.3 . 3 . . . . . 92 TYR CE1 . 15652 1
1118 . 1 1 92 92 TYR CE2 C 13 118.168 0.3 . 3 . . . . . 92 TYR CE2 . 15652 1
1119 . 1 1 93 93 LYS H H 1 7.405 0.03 . 1 . . . . . 93 LYS H . 15652 1
1120 . 1 1 93 93 LYS HA H 1 3.749 0.03 . 1 . . . . . 93 LYS HA . 15652 1
1121 . 1 1 93 93 LYS HB2 H 1 1.655 0.03 . 2 . . . . . 93 LYS HB2 . 15652 1
1122 . 1 1 93 93 LYS HB3 H 1 1.440 0.03 . 2 . . . . . 93 LYS HB3 . 15652 1
1123 . 1 1 93 93 LYS HD2 H 1 1.555 0.03 . 2 . . . . . 93 LYS HD2 . 15652 1
1124 . 1 1 93 93 LYS HD3 H 1 1.478 0.03 . 2 . . . . . 93 LYS HD3 . 15652 1
1125 . 1 1 93 93 LYS HE2 H 1 2.872 0.03 . 2 . . . . . 93 LYS HE2 . 15652 1
1126 . 1 1 93 93 LYS HE3 H 1 2.828 0.03 . 2 . . . . . 93 LYS HE3 . 15652 1
1127 . 1 1 93 93 LYS HG2 H 1 0.987 0.03 . 2 . . . . . 93 LYS HG2 . 15652 1
1128 . 1 1 93 93 LYS HG3 H 1 0.761 0.03 . 2 . . . . . 93 LYS HG3 . 15652 1
1129 . 1 1 93 93 LYS C C 13 177.715 0.3 . 1 . . . . . 93 LYS C . 15652 1
1130 . 1 1 93 93 LYS CA C 13 58.446 0.3 . 1 . . . . . 93 LYS CA . 15652 1
1131 . 1 1 93 93 LYS CB C 13 31.822 0.3 . 1 . . . . . 93 LYS CB . 15652 1
1132 . 1 1 93 93 LYS CD C 13 29.470 0.3 . 1 . . . . . 93 LYS CD . 15652 1
1133 . 1 1 93 93 LYS CE C 13 42.044 0.3 . 1 . . . . . 93 LYS CE . 15652 1
1134 . 1 1 93 93 LYS CG C 13 25.872 0.3 . 1 . . . . . 93 LYS CG . 15652 1
1135 . 1 1 93 93 LYS N N 15 120.689 0.3 . 1 . . . . . 93 LYS N . 15652 1
1136 . 1 1 94 94 LYS H H 1 7.405 0.03 . 1 . . . . . 94 LYS H . 15652 1
1137 . 1 1 94 94 LYS HA H 1 4.079 0.03 . 1 . . . . . 94 LYS HA . 15652 1
1138 . 1 1 94 94 LYS HB2 H 1 1.646 0.03 . 2 . . . . . 94 LYS HB2 . 15652 1
1139 . 1 1 94 94 LYS HB3 H 1 1.500 0.03 . 2 . . . . . 94 LYS HB3 . 15652 1
1140 . 1 1 94 94 LYS HD2 H 1 1.772 0.03 . 2 . . . . . 94 LYS HD2 . 15652 1
1141 . 1 1 94 94 LYS HD3 H 1 1.652 0.03 . 2 . . . . . 94 LYS HD3 . 15652 1
1142 . 1 1 94 94 LYS HE2 H 1 2.957 0.03 . 2 . . . . . 94 LYS HE2 . 15652 1
1143 . 1 1 94 94 LYS HE3 H 1 2.957 0.03 . 2 . . . . . 94 LYS HE3 . 15652 1
1144 . 1 1 94 94 LYS HG2 H 1 1.505 0.03 . 2 . . . . . 94 LYS HG2 . 15652 1
1145 . 1 1 94 94 LYS HG3 H 1 1.279 0.03 . 2 . . . . . 94 LYS HG3 . 15652 1
1146 . 1 1 94 94 LYS C C 13 176.709 0.3 . 1 . . . . . 94 LYS C . 15652 1
1147 . 1 1 94 94 LYS CA C 13 56.479 0.3 . 1 . . . . . 94 LYS CA . 15652 1
1148 . 1 1 94 94 LYS CB C 13 32.760 0.3 . 1 . . . . . 94 LYS CB . 15652 1
1149 . 1 1 94 94 LYS CD C 13 29.356 0.3 . 1 . . . . . 94 LYS CD . 15652 1
1150 . 1 1 94 94 LYS CE C 13 42.193 0.3 . 1 . . . . . 94 LYS CE . 15652 1
1151 . 1 1 94 94 LYS CG C 13 25.865 0.3 . 1 . . . . . 94 LYS CG . 15652 1
1152 . 1 1 94 94 LYS N N 15 115.712 0.3 . 1 . . . . . 94 LYS N . 15652 1
1153 . 1 1 95 95 CYS H H 1 7.537 0.03 . 1 . . . . . 95 CYS H . 15652 1
1154 . 1 1 95 95 CYS HA H 1 3.937 0.03 . 1 . . . . . 95 CYS HA . 15652 1
1155 . 1 1 95 95 CYS HB2 H 1 2.966 0.03 . 2 . . . . . 95 CYS HB2 . 15652 1
1156 . 1 1 95 95 CYS HB3 H 1 2.912 0.03 . 2 . . . . . 95 CYS HB3 . 15652 1
1157 . 1 1 95 95 CYS C C 13 173.487 0.3 . 1 . . . . . 95 CYS C . 15652 1
1158 . 1 1 95 95 CYS CA C 13 61.795 0.3 . 1 . . . . . 95 CYS CA . 15652 1
1159 . 1 1 95 95 CYS CB C 13 27.546 0.3 . 1 . . . . . 95 CYS CB . 15652 1
1160 . 1 1 95 95 CYS N N 15 115.586 0.3 . 1 . . . . . 95 CYS N . 15652 1
1161 . 1 1 96 96 VAL HA H 1 4.154 0.03 . 1 . . . . . 96 VAL HA . 15652 1
1162 . 1 1 96 96 VAL HB H 1 2.212 0.03 . 1 . . . . . 96 VAL HB . 15652 1
1163 . 1 1 96 96 VAL HG11 H 1 0.868 0.03 . 1 . . . . . 96 VAL HG1 . 15652 1
1164 . 1 1 96 96 VAL HG12 H 1 0.868 0.03 . 1 . . . . . 96 VAL HG1 . 15652 1
1165 . 1 1 96 96 VAL HG13 H 1 0.868 0.03 . 1 . . . . . 96 VAL HG1 . 15652 1
1166 . 1 1 96 96 VAL HG21 H 1 0.893 0.03 . 1 . . . . . 96 VAL HG2 . 15652 1
1167 . 1 1 96 96 VAL HG22 H 1 0.893 0.03 . 1 . . . . . 96 VAL HG2 . 15652 1
1168 . 1 1 96 96 VAL HG23 H 1 0.893 0.03 . 1 . . . . . 96 VAL HG2 . 15652 1
1169 . 1 1 96 96 VAL C C 13 175.216 0.3 . 1 . . . . . 96 VAL C . 15652 1
1170 . 1 1 96 96 VAL CA C 13 61.916 0.3 . 1 . . . . . 96 VAL CA . 15652 1
1171 . 1 1 96 96 VAL CB C 13 31.695 0.3 . 1 . . . . . 96 VAL CB . 15652 1
1172 . 1 1 96 96 VAL CG1 C 13 21.877 0.3 . 1 . . . . . 96 VAL CG1 . 15652 1
1173 . 1 1 96 96 VAL CG2 C 13 20.455 0.3 . 1 . . . . . 96 VAL CG2 . 15652 1
1174 . 1 1 97 97 LEU H H 1 8.002 0.03 . 1 . . . . . 97 LEU H . 15652 1
1175 . 1 1 97 97 LEU HA H 1 4.316 0.03 . 1 . . . . . 97 LEU HA . 15652 1
1176 . 1 1 97 97 LEU HB2 H 1 1.605 0.03 . 2 . . . . . 97 LEU HB2 . 15652 1
1177 . 1 1 97 97 LEU HB3 H 1 1.443 0.03 . 2 . . . . . 97 LEU HB3 . 15652 1
1178 . 1 1 97 97 LEU HD11 H 1 0.834 0.03 . 1 . . . . . 97 LEU HD1 . 15652 1
1179 . 1 1 97 97 LEU HD12 H 1 0.834 0.03 . 1 . . . . . 97 LEU HD1 . 15652 1
1180 . 1 1 97 97 LEU HD13 H 1 0.834 0.03 . 1 . . . . . 97 LEU HD1 . 15652 1
1181 . 1 1 97 97 LEU HD21 H 1 0.777 0.03 . 1 . . . . . 97 LEU HD2 . 15652 1
1182 . 1 1 97 97 LEU HD22 H 1 0.777 0.03 . 1 . . . . . 97 LEU HD2 . 15652 1
1183 . 1 1 97 97 LEU HD23 H 1 0.777 0.03 . 1 . . . . . 97 LEU HD2 . 15652 1
1184 . 1 1 97 97 LEU HG H 1 1.564 0.03 . 1 . . . . . 97 LEU HG . 15652 1
1185 . 1 1 97 97 LEU C C 13 176.168 0.3 . 1 . . . . . 97 LEU C . 15652 1
1186 . 1 1 97 97 LEU CA C 13 54.770 0.3 . 1 . . . . . 97 LEU CA . 15652 1
1187 . 1 1 97 97 LEU CB C 13 42.558 0.3 . 1 . . . . . 97 LEU CB . 15652 1
1188 . 1 1 97 97 LEU CD1 C 13 25.775 0.3 . 1 . . . . . 97 LEU CD1 . 15652 1
1189 . 1 1 97 97 LEU CD2 C 13 23.243 0.3 . 1 . . . . . 97 LEU CD2 . 15652 1
1190 . 1 1 97 97 LEU CG C 13 26.427 0.3 . 1 . . . . . 97 LEU CG . 15652 1
1191 . 1 1 97 97 LEU N N 15 124.364 0.3 . 1 . . . . . 97 LEU N . 15652 1
1192 . 1 1 98 98 GLU H H 1 8.345 0.03 . 1 . . . . . 98 GLU H . 15652 1
1193 . 1 1 98 98 GLU HA H 1 4.301 0.03 . 1 . . . . . 98 GLU HA . 15652 1
1194 . 1 1 98 98 GLU HB2 H 1 1.963 0.03 . 2 . . . . . 98 GLU HB2 . 15652 1
1195 . 1 1 98 98 GLU HB3 H 1 1.853 0.03 . 2 . . . . . 98 GLU HB3 . 15652 1
1196 . 1 1 98 98 GLU HG2 H 1 2.188 0.03 . 2 . . . . . 98 GLU HG2 . 15652 1
1197 . 1 1 98 98 GLU HG3 H 1 2.188 0.03 . 2 . . . . . 98 GLU HG3 . 15652 1
1198 . 1 1 98 98 GLU C C 13 175.732 0.3 . 1 . . . . . 98 GLU C . 15652 1
1199 . 1 1 98 98 GLU CA C 13 55.988 0.3 . 1 . . . . . 98 GLU CA . 15652 1
1200 . 1 1 98 98 GLU CB C 13 30.989 0.3 . 1 . . . . . 98 GLU CB . 15652 1
1201 . 1 1 98 98 GLU CG C 13 36.236 0.3 . 1 . . . . . 98 GLU CG . 15652 1
1202 . 1 1 98 98 GLU N N 15 119.454 0.3 . 1 . . . . . 98 GLU N . 15652 1
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 15652
_Spectral_peak_list.ID 1
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 12
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY (aliph)'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details 'peak intensity'
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 'All H' . . 15 . . . . . . . 15652 1
2 . . C 13 'All C' . . 150 . . . . . . . 15652 1
3 . . H 1 'ali+aro H' . . 20 . . . . . . . 15652 1
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
8 $SPARKY . . 15652 1
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 460387.0 . height 15652 1
2 32649.0 . height 15652 1
3 55773.0 . height 15652 1
4 54742.0 . height 15652 1
5 42570.0 . height 15652 1
6 1010817.0 . height 15652 1
7 310148.0 . height 15652 1
8 81509.0 . height 15652 1
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 6.862 . . . . . . . . . . . . . 15652 1
1 2 16.017 . . . . . . . . . . . . . 15652 1
1 3 1.721 . . . . . . . . . . . . . 15652 1
2 1 6.953 . . . . . . . . . . . . . 15652 1
2 2 34.025 . . . . . . . . . . . . . 15652 1
2 3 1.914 . . . . . . . . . . . . . 15652 1
3 1 6.953 . . . . . . . . . . . . . 15652 1
3 2 34.025 . . . . . . . . . . . . . 15652 1
3 3 2.108 . . . . . . . . . . . . . 15652 1
4 1 3.768 . . . . . . . . . . . . . 15652 1
4 2 30.37 . . . . . . . . . . . . . 15652 1
4 3 2.212 . . . . . . . . . . . . . 15652 1
5 1 3.768 . . . . . . . . . . . . . 15652 1
5 2 30.37 . . . . . . . . . . . . . 15652 1
5 3 2.559 . . . . . . . . . . . . . 15652 1
6 1 2.601 . . . . . . . . . . . . . 15652 1
6 2 54.36 . . . . . . . . . . . . . 15652 1
6 3 2.599 . . . . . . . . . . . . . 15652 1
7 1 7.128 . . . . . . . . . . . . . 15652 1
7 2 124.876 . . . . . . . . . . . . . 15652 1
7 3 7.131 . . . . . . . . . . . . . 15652 1
8 1 10.266 . . . . . . . . . . . . . 15652 1
8 2 124.84 . . . . . . . . . . . . . 15652 1
8 3 7.126 . . . . . . . . . . . . . 15652 1
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 . . . 6.862 . . . . . . . . . . . . . 78 PHE HZ . . 1 . . 15652 1
1 2 . . . 16.017 . . . . . . . . . . . . . 27 MET CE . . 1 . . 15652 1
1 3 . . . 1.721 . . . . . . . . . . . . . 27 MET HE . . 1 . . 15652 1
2 1 . . . 6.953 . . . . . . . . . . . . . 31 TYR HE2 . . 1 . . 15652 1
2 2 . . . 34.025 . . . . . . . . . . . . . 27 MET CB . . 1 . . 15652 1
2 3 . . . 1.914 . . . . . . . . . . . . . 27 MET HB3 . . 1 . . 15652 1
3 1 . . . 6.953 . . . . . . . . . . . . . 31 TYR HE1 . . 1 . . 15652 1
3 2 . . . 34.025 . . . . . . . . . . . . . 27 MET CB . . 1 . . 15652 1
3 3 . . . 2.108 . . . . . . . . . . . . . 27 MET HB2 . . 1 . . 15652 1
4 1 . . . 3.768 . . . . . . . . . . . . . 24 MET HA . . 1 . . 15652 1
4 2 . . . 30.37 . . . . . . . . . . . . . 27 MET CG . . 1 . . 15652 1
4 3 . . . 2.212 . . . . . . . . . . . . . 27 MET HG3 . . 1 . . 15652 1
5 1 . . . 3.768 . . . . . . . . . . . . . 24 MET HA . . 1 . . 15652 1
5 2 . . . 30.37 . . . . . . . . . . . . . 27 MET CG . . 1 . . 15652 1
5 3 . . . 2.559 . . . . . . . . . . . . . 27 MET HG2 . . 1 . . 15652 1
6 1 . . . 2.601 . . . . . . . . . . . . . 20 ALA HA . . 1 . . 15652 1
6 2 . . . 54.36 . . . . . . . . . . . . . 20 ALA CA . . 1 . . 15652 1
6 3 . . . 2.599 . . . . . . . . . . . . . 20 ALA HA . . 1 . . 15652 1
7 1 . . . 7.128 . . . . . . . . . . . . . 79 TRP HD1 . . 1 . . 15652 1
7 2 . . . 124.876 . . . . . . . . . . . . . 79 TRP CD1 . . 1 . . 15652 1
7 3 . . . 7.131 . . . . . . . . . . . . . 79 TRP HD1 . . 1 . . 15652 1
8 1 . . . 10.266 . . . . . . . . . . . . . 79 TRP HE1 . . 1 . . 15652 1
8 2 . . . 124.84 . . . . . . . . . . . . . 79 TRP CD1 . . 1 . . 15652 1
8 3 . . . 7.126 . . . . . . . . . . . . . 79 TRP HD1 . . 1 . . 15652 1
stop_
save_
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 15652
_Spectral_peak_list.ID 2
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 11
_Spectral_peak_list.Experiment_name '3D 1H-15N NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details 'peak intensity'
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 'All H' . . 15 . . . . . . . 15652 2
2 . . N 15 'All N' . . 35 . . . . . . . 15652 2
3 . . H 1 HN . . 20 . . . . . . . 15652 2
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
8 $SPARKY . . 15652 2
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 3783853.0 . height 15652 2
2 710277.0 . height 15652 2
3 678578.0 . height 15652 2
4 1820829.0 . height 15652 2
5 736837.0 . height 15652 2
6 596046.0 . height 15652 2
7 3279329.0 . height 15652 2
8 392590.0 . height 15652 2
9 668927.0 . height 15652 2
10 4095966.0 . height 15652 2
11 488311.0 . height 15652 2
12 277435.0 . height 15652 2
13 3495824.0 . height 15652 2
14 269497.0 . height 15652 2
15 3379904.0 . height 15652 2
16 350674.0 . height 15652 2
17 4575448.0 . height 15652 2
18 382314.0 . height 15652 2
19 74214.0 . height 15652 2
20 598734.0 . height 15652 2
21 3655450.0 . height 15652 2
22 2591903.0 . height 15652 2
23 477231.0 . height 15652 2
24 635624.0 . height 15652 2
25 4572737.0 . height 15652 2
26 6983084.0 . height 15652 2
27 353738.0 . height 15652 2
28 148637.0 . height 15652 2
29 3535479.0 . height 15652 2
30 388029.0 . height 15652 2
31 4795443.0 . height 15652 2
32 166351.0 . height 15652 2
33 2156280.0 . height 15652 2
34 375540.0 . height 15652 2
35 3650294.0 . height 15652 2
36 2992876.0 . height 15652 2
37 638833.0 . height 15652 2
38 8086112.0 . height 15652 2
39 522581.0 . height 15652 2
40 2419035.0 . height 15652 2
41 7135642.0 . height 15652 2
42 1494656.0 . height 15652 2
43 494308.0 . height 15652 2
44 3562250.0 . height 15652 2
45 351953.0 . height 15652 2
46 6007987.0 . height 15652 2
47 3857770.0 . height 15652 2
48 52319.0 . height 15652 2
49 428262.0 . height 15652 2
50 3541393.0 . height 15652 2
51 356100.0 . height 15652 2
52 375476.0 . height 15652 2
53 1537319.0 . height 15652 2
54 277264.0 . height 15652 2
55 2172258.0 . height 15652 2
56 9195921.0 . height 15652 2
57 452336.0 . height 15652 2
58 2444146.0 . height 15652 2
59 510823.0 . height 15652 2
60 3936317.0 . height 15652 2
61 336537.0 . height 15652 2
62 622796.0 . height 15652 2
63 3381452.0 . height 15652 2
64 42117.0 . height 15652 2
65 6542089.0 . height 15652 2
66 2321888.0 . height 15652 2
67 395817.0 . height 15652 2
68 338275.0 . height 15652 2
69 2770460.0 . height 15652 2
70 303020.0 . height 15652 2
71 106582.0 . height 15652 2
72 854619.0 . height 15652 2
73 132903.0 . height 15652 2
74 4632598.0 . height 15652 2
75 6672474.0 . height 15652 2
76 2576518.0 . height 15652 2
77 397989.0 . height 15652 2
78 90264.0 . height 15652 2
79 293209.0 . height 15652 2
80 4891736.0 . height 15652 2
81 3651474.0 . height 15652 2
82 4838000.0 . height 15652 2
83 3651474.0 . height 15652 2
84 3695050.0 . height 15652 2
85 265148.0 . height 15652 2
86 50527.0 . height 15652 2
87 171908.0 . height 15652 2
88 449588.0 . height 15652 2
89 3294951.0 . height 15652 2
90 319013.0 . height 15652 2
91 145652.0 . height 15652 2
92 2054912.0 . height 15652 2
93 2082675.0 . height 15652 2
94 2414934.0 . height 15652 2
95 77192.0 . height 15652 2
96 3120192.0 . height 15652 2
97 5315877.0 . height 15652 2
98 89919.0 . height 15652 2
99 96437.0 . height 15652 2
100 2140131.0 . height 15652 2
101 22718.0 . height 15652 2
102 4209357.0 . height 15652 2
103 662884.0 . height 15652 2
104 798809.0 . height 15652 2
105 324866.0 . height 15652 2
106 1408568.0 . height 15652 2
107 763583.0 . height 15652 2
108 88085.0 . height 15652 2
109 649392.0 . height 15652 2
110 638890.0 . height 15652 2
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 6.896 . . . . . . . . . . . . . 15652 2
1 2 117.91 . . . . . . . . . . . . . 15652 2
1 3 6.896 . . . . . . . . . . . . . 15652 2
2 1 6.896 . . . . . . . . . . . . . 15652 2
2 2 118.47 . . . . . . . . . . . . . 15652 2
2 3 8.56 . . . . . . . . . . . . . 15652 2
3 1 6.897 . . . . . . . . . . . . . 15652 2
3 2 123.597 . . . . . . . . . . . . . 15652 2
3 3 8.311 . . . . . . . . . . . . . 15652 2
4 1 7.124 . . . . . . . . . . . . . 15652 2
4 2 124.69 . . . . . . . . . . . . . 15652 2
4 3 7.124 . . . . . . . . . . . . . 15652 2
5 1 7.124 . . . . . . . . . . . . . 15652 2
5 2 117.04 . . . . . . . . . . . . . 15652 2
5 3 7.454 . . . . . . . . . . . . . 15652 2
6 1 7.126 . . . . . . . . . . . . . 15652 2
6 2 116.92 . . . . . . . . . . . . . 15652 2
6 3 7.869 . . . . . . . . . . . . . 15652 2
7 1 7.234 . . . . . . . . . . . . . 15652 2
7 2 119.633 . . . . . . . . . . . . . 15652 2
7 3 7.231 . . . . . . . . . . . . . 15652 2
8 1 7.335 . . . . . . . . . . . . . 15652 2
8 2 119.36 . . . . . . . . . . . . . 15652 2
8 3 8.305 . . . . . . . . . . . . . 15652 2
9 1 7.335 . . . . . . . . . . . . . 15652 2
9 2 123.566 . . . . . . . . . . . . . 15652 2
9 3 7.948 . . . . . . . . . . . . . 15652 2
10 1 7.418 . . . . . . . . . . . . . 15652 2
10 2 115.615 . . . . . . . . . . . . . 15652 2
10 3 7.419 . . . . . . . . . . . . . 15652 2
11 1 7.42 . . . . . . . . . . . . . 15652 2
11 2 115.728 . . . . . . . . . . . . . 15652 2
11 3 7.788 . . . . . . . . . . . . . 15652 2
12 1 7.423 . . . . . . . . . . . . . 15652 2
12 2 119.83 . . . . . . . . . . . . . 15652 2
12 3 8.73 . . . . . . . . . . . . . 15652 2
13 1 7.429 . . . . . . . . . . . . . 15652 2
13 2 117.577 . . . . . . . . . . . . . 15652 2
13 3 7.43 . . . . . . . . . . . . . 15652 2
14 1 7.429 . . . . . . . . . . . . . 15652 2
14 2 111.638 . . . . . . . . . . . . . 15652 2
14 3 8.427 . . . . . . . . . . . . . 15652 2
15 1 7.454 . . . . . . . . . . . . . 15652 2
15 2 117.04 . . . . . . . . . . . . . 15652 2
15 3 7.454 . . . . . . . . . . . . . 15652 2
16 1 7.454 . . . . . . . . . . . . . 15652 2
16 2 124.69 . . . . . . . . . . . . . 15652 2
16 3 7.124 . . . . . . . . . . . . . 15652 2
17 1 7.533 . . . . . . . . . . . . . 15652 2
17 2 111.45 . . . . . . . . . . . . . 15652 2
17 3 7.533 . . . . . . . . . . . . . 15652 2
18 1 7.533 . . . . . . . . . . . . . 15652 2
18 2 108.24 . . . . . . . . . . . . . 15652 2
18 3 8.532 . . . . . . . . . . . . . 15652 2
19 1 7.536 . . . . . . . . . . . . . 15652 2
19 2 117.544 . . . . . . . . . . . . . 15652 2
19 3 8.581 . . . . . . . . . . . . . 15652 2
20 1 7.544 . . . . . . . . . . . . . 15652 2
20 2 121.23 . . . . . . . . . . . . . 15652 2
20 3 7.974 . . . . . . . . . . . . . 15652 2
21 1 7.545 . . . . . . . . . . . . . 15652 2
21 2 119.064 . . . . . . . . . . . . . 15652 2
21 3 7.542 . . . . . . . . . . . . . 15652 2
22 1 7.597 . . . . . . . . . . . . . 15652 2
22 2 118.37 . . . . . . . . . . . . . 15652 2
22 3 7.597 . . . . . . . . . . . . . 15652 2
23 1 7.597 . . . . . . . . . . . . . 15652 2
23 2 121.91 . . . . . . . . . . . . . 15652 2
23 3 8.131 . . . . . . . . . . . . . 15652 2
24 1 7.606 . . . . . . . . . . . . . 15652 2
24 2 121.057 . . . . . . . . . . . . . 15652 2
24 3 8.018 . . . . . . . . . . . . . 15652 2
25 1 7.609 . . . . . . . . . . . . . 15652 2
25 2 124.125 . . . . . . . . . . . . . 15652 2
25 3 7.611 . . . . . . . . . . . . . 15652 2
26 1 7.733 . . . . . . . . . . . . . 15652 2
26 2 122.25 . . . . . . . . . . . . . 15652 2
26 3 7.733 . . . . . . . . . . . . . 15652 2
27 1 7.733 . . . . . . . . . . . . . 15652 2
27 2 110.62 . . . . . . . . . . . . . 15652 2
27 3 8.406 . . . . . . . . . . . . . 15652 2
28 1 7.759 . . . . . . . . . . . . . 15652 2
28 2 126.1 . . . . . . . . . . . . . 15652 2
28 3 9.395 . . . . . . . . . . . . . 15652 2
29 1 7.786 . . . . . . . . . . . . . 15652 2
29 2 115.738 . . . . . . . . . . . . . 15652 2
29 3 7.788 . . . . . . . . . . . . . 15652 2
30 1 7.787 . . . . . . . . . . . . . 15652 2
30 2 115.606 . . . . . . . . . . . . . 15652 2
30 3 7.419 . . . . . . . . . . . . . 15652 2
31 1 7.837 . . . . . . . . . . . . . 15652 2
31 2 110.25 . . . . . . . . . . . . . 15652 2
31 3 7.837 . . . . . . . . . . . . . 15652 2
32 1 7.838 . . . . . . . . . . . . . 15652 2
32 2 122.785 . . . . . . . . . . . . . 15652 2
32 3 8.644 . . . . . . . . . . . . . 15652 2
33 1 7.874 . . . . . . . . . . . . . 15652 2
33 2 121.23 . . . . . . . . . . . . . 15652 2
33 3 7.974 . . . . . . . . . . . . . 15652 2
34 1 7.874 . . . . . . . . . . . . . 15652 2
34 2 124.69 . . . . . . . . . . . . . 15652 2
34 3 7.124 . . . . . . . . . . . . . 15652 2
35 1 7.877 . . . . . . . . . . . . . 15652 2
35 2 116.924 . . . . . . . . . . . . . 15652 2
35 3 7.87 . . . . . . . . . . . . . 15652 2
36 1 7.906 . . . . . . . . . . . . . 15652 2
36 2 117.62 . . . . . . . . . . . . . 15652 2
36 3 7.907 . . . . . . . . . . . . . 15652 2
37 1 7.934 . . . . . . . . . . . . . 15652 2
37 2 117.635 . . . . . . . . . . . . . 15652 2
37 3 7.429 . . . . . . . . . . . . . 15652 2
38 1 7.95 . . . . . . . . . . . . . 15652 2
38 2 123.58 . . . . . . . . . . . . . 15652 2
38 3 7.95 . . . . . . . . . . . . . 15652 2
39 1 7.95 . . . . . . . . . . . . . 15652 2
39 2 109.58 . . . . . . . . . . . . . 15652 2
39 3 9.364 . . . . . . . . . . . . . 15652 2
40 1 7.96 . . . . . . . . . . . . . 15652 2
40 2 126.548 . . . . . . . . . . . . . 15652 2
40 3 7.961 . . . . . . . . . . . . . 15652 2
41 1 7.97 . . . . . . . . . . . . . 15652 2
41 2 121.246 . . . . . . . . . . . . . 15652 2
41 3 7.971 . . . . . . . . . . . . . 15652 2
42 1 7.974 . . . . . . . . . . . . . 15652 2
42 2 116.91 . . . . . . . . . . . . . 15652 2
42 3 7.874 . . . . . . . . . . . . . 15652 2
43 1 7.974 . . . . . . . . . . . . . 15652 2
43 2 119.05 . . . . . . . . . . . . . 15652 2
43 3 7.544 . . . . . . . . . . . . . 15652 2
44 1 7.985 . . . . . . . . . . . . . 15652 2
44 2 119.39 . . . . . . . . . . . . . 15652 2
44 3 7.985 . . . . . . . . . . . . . 15652 2
45 1 7.985 . . . . . . . . . . . . . 15652 2
45 2 121.91 . . . . . . . . . . . . . 15652 2
45 3 8.131 . . . . . . . . . . . . . 15652 2
46 1 8.019 . . . . . . . . . . . . . 15652 2
46 2 121.04 . . . . . . . . . . . . . 15652 2
46 3 8.019 . . . . . . . . . . . . . 15652 2
47 1 8.088 . . . . . . . . . . . . . 15652 2
47 2 114.16 . . . . . . . . . . . . . 15652 2
47 3 8.088 . . . . . . . . . . . . . 15652 2
48 1 8.088 . . . . . . . . . . . . . 15652 2
48 2 114.78 . . . . . . . . . . . . . 15652 2
48 3 9.062 . . . . . . . . . . . . . 15652 2
49 1 8.088 . . . . . . . . . . . . . 15652 2
49 2 129.79 . . . . . . . . . . . . . 15652 2
49 3 9.522 . . . . . . . . . . . . . 15652 2
50 1 8.131 . . . . . . . . . . . . . 15652 2
50 2 121.91 . . . . . . . . . . . . . 15652 2
50 3 8.131 . . . . . . . . . . . . . 15652 2
51 1 8.131 . . . . . . . . . . . . . 15652 2
51 2 119.39 . . . . . . . . . . . . . 15652 2
51 3 7.985 . . . . . . . . . . . . . 15652 2
52 1 8.131 . . . . . . . . . . . . . 15652 2
52 2 118.37 . . . . . . . . . . . . . 15652 2
52 3 7.597 . . . . . . . . . . . . . 15652 2
53 1 8.162 . . . . . . . . . . . . . 15652 2
53 2 125.068 . . . . . . . . . . . . . 15652 2
53 3 8.157 . . . . . . . . . . . . . 15652 2
54 1 8.178 . . . . . . . . . . . . . 15652 2
54 2 119.063 . . . . . . . . . . . . . 15652 2
54 3 8.403 . . . . . . . . . . . . . 15652 2
55 1 8.183 . . . . . . . . . . . . . 15652 2
55 2 120.77 . . . . . . . . . . . . . 15652 2
55 3 8.183 . . . . . . . . . . . . . 15652 2
56 1 8.192 . . . . . . . . . . . . . 15652 2
56 2 120.25 . . . . . . . . . . . . . 15652 2
56 3 8.192 . . . . . . . . . . . . . 15652 2
57 1 8.196 . . . . . . . . . . . . . 15652 2
57 2 112.284 . . . . . . . . . . . . . 15652 2
57 3 7.578 . . . . . . . . . . . . . 15652 2
58 1 8.305 . . . . . . . . . . . . . 15652 2
58 2 119.36 . . . . . . . . . . . . . 15652 2
58 3 8.305 . . . . . . . . . . . . . 15652 2
59 1 8.305 . . . . . . . . . . . . . 15652 2
59 2 118.47 . . . . . . . . . . . . . 15652 2
59 3 8.56 . . . . . . . . . . . . . 15652 2
60 1 8.31 . . . . . . . . . . . . . 15652 2
60 2 123.584 . . . . . . . . . . . . . 15652 2
60 3 8.311 . . . . . . . . . . . . . 15652 2
61 1 8.315 . . . . . . . . . . . . . 15652 2
61 2 119.83 . . . . . . . . . . . . . 15652 2
61 3 8.73 . . . . . . . . . . . . . 15652 2
62 1 8.315 . . . . . . . . . . . . . 15652 2
62 2 117.91 . . . . . . . . . . . . . 15652 2
62 3 6.896 . . . . . . . . . . . . . 15652 2
63 1 8.342 . . . . . . . . . . . . . 15652 2
63 2 122.93 . . . . . . . . . . . . . 15652 2
63 3 8.342 . . . . . . . . . . . . . 15652 2
64 1 8.342 . . . . . . . . . . . . . 15652 2
64 2 123.15 . . . . . . . . . . . . . 15652 2
64 3 9.118 . . . . . . . . . . . . . 15652 2
65 1 8.406 . . . . . . . . . . . . . 15652 2
65 2 110.62 . . . . . . . . . . . . . 15652 2
65 3 8.406 . . . . . . . . . . . . . 15652 2
66 1 8.408 . . . . . . . . . . . . . 15652 2
66 2 119.05 . . . . . . . . . . . . . 15652 2
66 3 8.408 . . . . . . . . . . . . . 15652 2
67 1 8.408 . . . . . . . . . . . . . 15652 2
67 2 106.1 . . . . . . . . . . . . . 15652 2
67 3 7.36 . . . . . . . . . . . . . 15652 2
68 1 8.408 . . . . . . . . . . . . . 15652 2
68 2 122.265 . . . . . . . . . . . . . 15652 2
68 3 7.732 . . . . . . . . . . . . . 15652 2
69 1 8.426 . . . . . . . . . . . . . 15652 2
69 2 111.644 . . . . . . . . . . . . . 15652 2
69 3 8.426 . . . . . . . . . . . . . 15652 2
70 1 8.426 . . . . . . . . . . . . . 15652 2
70 2 117.633 . . . . . . . . . . . . . 15652 2
70 3 7.43 . . . . . . . . . . . . . 15652 2
71 1 8.429 . . . . . . . . . . . . . 15652 2
71 2 121.84 . . . . . . . . . . . . . 15652 2
71 3 8.98 . . . . . . . . . . . . . 15652 2
72 1 8.485 . . . . . . . . . . . . . 15652 2
72 2 127.852 . . . . . . . . . . . . . 15652 2
72 3 8.49 . . . . . . . . . . . . . 15652 2
73 1 8.49 . . . . . . . . . . . . . 15652 2
73 2 121.84 . . . . . . . . . . . . . 15652 2
73 3 8.977 . . . . . . . . . . . . . 15652 2
74 1 8.518 . . . . . . . . . . . . . 15652 2
74 2 126.906 . . . . . . . . . . . . . 15652 2
74 3 8.512 . . . . . . . . . . . . . 15652 2
75 1 8.524 . . . . . . . . . . . . . 15652 2
75 2 122.206 . . . . . . . . . . . . . 15652 2
75 3 8.519 . . . . . . . . . . . . . 15652 2
76 1 8.532 . . . . . . . . . . . . . 15652 2
76 2 108.24 . . . . . . . . . . . . . 15652 2
76 3 8.532 . . . . . . . . . . . . . 15652 2
77 1 8.532 . . . . . . . . . . . . . 15652 2
77 2 111.45 . . . . . . . . . . . . . 15652 2
77 3 7.533 . . . . . . . . . . . . . 15652 2
78 1 8.532 . . . . . . . . . . . . . 15652 2
78 2 117.86 . . . . . . . . . . . . . 15652 2
78 3 8.773 . . . . . . . . . . . . . 15652 2
79 1 8.56 . . . . . . . . . . . . . 15652 2
79 2 119.36 . . . . . . . . . . . . . 15652 2
79 3 8.305 . . . . . . . . . . . . . 15652 2
80 1 8.57 . . . . . . . . . . . . . 15652 2
80 2 128.45 . . . . . . . . . . . . . 15652 2
80 3 8.57 . . . . . . . . . . . . . 15652 2
81 1 8.57 . . . . . . . . . . . . . 15652 2
81 2 123.99 . . . . . . . . . . . . . 15652 2
81 3 8.589 . . . . . . . . . . . . . 15652 2
82 1 8.579 . . . . . . . . . . . . . 15652 2
82 2 120.42 . . . . . . . . . . . . . 15652 2
82 3 8.579 . . . . . . . . . . . . . 15652 2
83 1 8.589 . . . . . . . . . . . . . 15652 2
83 2 123.99 . . . . . . . . . . . . . 15652 2
83 3 8.589 . . . . . . . . . . . . . 15652 2
84 1 8.589 . . . . . . . . . . . . . 15652 2
84 2 117.48 . . . . . . . . . . . . . 15652 2
84 3 8.589 . . . . . . . . . . . . . 15652 2
85 1 8.589 . . . . . . . . . . . . . 15652 2
85 2 111.45 . . . . . . . . . . . . . 15652 2
85 3 7.533 . . . . . . . . . . . . . 15652 2
86 1 8.647 . . . . . . . . . . . . . 15652 2
86 2 129.79 . . . . . . . . . . . . . 15652 2
86 3 9.522 . . . . . . . . . . . . . 15652 2
87 1 8.647 . . . . . . . . . . . . . 15652 2
87 2 110.25 . . . . . . . . . . . . . 15652 2
87 3 7.837 . . . . . . . . . . . . . 15652 2
88 1 8.72 . . . . . . . . . . . . . 15652 2
88 2 123.589 . . . . . . . . . . . . . 15652 2
88 3 8.311 . . . . . . . . . . . . . 15652 2
89 1 8.722 . . . . . . . . . . . . . 15652 2
89 2 119.834 . . . . . . . . . . . . . 15652 2
89 3 8.725 . . . . . . . . . . . . . 15652 2
90 1 8.723 . . . . . . . . . . . . . 15652 2
90 2 115.577 . . . . . . . . . . . . . 15652 2
90 3 7.42 . . . . . . . . . . . . . 15652 2
91 1 8.773 . . . . . . . . . . . . . 15652 2
91 2 108.24 . . . . . . . . . . . . . 15652 2
91 3 8.532 . . . . . . . . . . . . . 15652 2
92 1 8.775 . . . . . . . . . . . . . 15652 2
92 2 118.673 . . . . . . . . . . . . . 15652 2
92 3 8.777 . . . . . . . . . . . . . 15652 2
93 1 8.853 . . . . . . . . . . . . . 15652 2
93 2 122.757 . . . . . . . . . . . . . 15652 2
93 3 8.853 . . . . . . . . . . . . . 15652 2
94 1 8.896 . . . . . . . . . . . . . 15652 2
94 2 123.587 . . . . . . . . . . . . . 15652 2
94 3 8.898 . . . . . . . . . . . . . 15652 2
95 1 8.98 . . . . . . . . . . . . . 15652 2
95 2 111.641 . . . . . . . . . . . . . 15652 2
95 3 8.423 . . . . . . . . . . . . . 15652 2
96 1 8.983 . . . . . . . . . . . . . 15652 2
96 2 121.861 . . . . . . . . . . . . . 15652 2
96 3 8.98 . . . . . . . . . . . . . 15652 2
97 1 9.061 . . . . . . . . . . . . . 15652 2
97 2 114.715 . . . . . . . . . . . . . 15652 2
97 3 9.06 . . . . . . . . . . . . . 15652 2
98 1 9.062 . . . . . . . . . . . . . 15652 2
98 2 114.16 . . . . . . . . . . . . . 15652 2
98 3 8.088 . . . . . . . . . . . . . 15652 2
99 1 9.117 . . . . . . . . . . . . . 15652 2
99 2 122.952 . . . . . . . . . . . . . 15652 2
99 3 8.336 . . . . . . . . . . . . . 15652 2
100 1 9.118 . . . . . . . . . . . . . 15652 2
100 2 123.15 . . . . . . . . . . . . . 15652 2
100 3 9.118 . . . . . . . . . . . . . 15652 2
101 1 9.304 . . . . . . . . . . . . . 15652 2
101 2 125.23 . . . . . . . . . . . . . 15652 2
101 3 9.304 . . . . . . . . . . . . . 15652 2
102 1 9.322 . . . . . . . . . . . . . 15652 2
102 2 122.087 . . . . . . . . . . . . . 15652 2
102 3 9.325 . . . . . . . . . . . . . 15652 2
103 1 9.363 . . . . . . . . . . . . . 15652 2
103 2 123.572 . . . . . . . . . . . . . 15652 2
103 3 7.947 . . . . . . . . . . . . . 15652 2
104 1 9.395 . . . . . . . . . . . . . 15652 2
104 2 126.1 . . . . . . . . . . . . . 15652 2
104 3 9.395 . . . . . . . . . . . . . 15652 2
105 1 9.395 . . . . . . . . . . . . . 15652 2
105 2 110.23 . . . . . . . . . . . . . 15652 2
105 3 7.759 . . . . . . . . . . . . . 15652 2
106 1 9.522 . . . . . . . . . . . . . 15652 2
106 2 129.79 . . . . . . . . . . . . . 15652 2
106 3 9.522 . . . . . . . . . . . . . 15652 2
107 1 9.522 . . . . . . . . . . . . . 15652 2
107 2 114.16 . . . . . . . . . . . . . 15652 2
107 3 8.088 . . . . . . . . . . . . . 15652 2
108 1 9.533 . . . . . . . . . . . . . 15652 2
108 2 122.859 . . . . . . . . . . . . . 15652 2
108 3 8.648 . . . . . . . . . . . . . 15652 2
109 1 9.582 . . . . . . . . . . . . . 15652 2
109 2 122.084 . . . . . . . . . . . . . 15652 2
109 3 8.254 . . . . . . . . . . . . . 15652 2
110 1 10.002 . . . . . . . . . . . . . 15652 2
110 2 121.003 . . . . . . . . . . . . . 15652 2
110 3 10.003 . . . . . . . . . . . . . 15652 2
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 . . . 6.896 . . . . . . . . . . . . . 47 GLU H . . 1 . . 15652 2
1 2 . . . 117.91 . . . . . . . . . . . . . 47 GLU N . . 1 . . 15652 2
1 3 . . . 6.896 . . . . . . . . . . . . . 47 GLU H . . 1 . . 15652 2
2 1 . . . 6.896 . . . . . . . . . . . . . 47 GLU H . . 1 . . 15652 2
2 2 . . . 118.47 . . . . . . . . . . . . . 46 VAL N . . 1 . . 15652 2
2 3 . . . 8.56 . . . . . . . . . . . . . 46 VAL H . . 1 . . 15652 2
3 1 . . . 6.897 . . . . . . . . . . . . . 47 GLU H . . 1 . . 15652 2
3 2 . . . 123.597 . . . . . . . . . . . . . 48 ALA N . . 1 . . 15652 2
3 3 . . . 8.311 . . . . . . . . . . . . . 48 ALA H . . 1 . . 15652 2
4 1 . . . 7.124 . . . . . . . . . . . . . 20 ALA H . . 1 . . 15652 2
4 2 . . . 124.69 . . . . . . . . . . . . . 20 ALA N . . 1 . . 15652 2
4 3 . . . 7.124 . . . . . . . . . . . . . 20 ALA H . . 1 . . 15652 2
5 1 . . . 7.124 . . . . . . . . . . . . . 20 ALA H . . 1 . . 15652 2
5 2 . . . 117.04 . . . . . . . . . . . . . 19 ASP N . . 1 . . 15652 2
5 3 . . . 7.454 . . . . . . . . . . . . . 19 ASP H . . 1 . . 15652 2
6 1 . . . 7.126 . . . . . . . . . . . . . 20 ALA H . . 1 . . 15652 2
6 2 . . . 116.92 . . . . . . . . . . . . . 21 LEU N . . 1 . . 15652 2
6 3 . . . 7.869 . . . . . . . . . . . . . 21 LEU H . . 1 . . 15652 2
7 1 . . . 7.234 . . . . . . . . . . . . . 27 MET H . . 1 . . 15652 2
7 2 . . . 119.633 . . . . . . . . . . . . . 27 MET N . . 1 . . 15652 2
7 3 . . . 7.231 . . . . . . . . . . . . . 27 MET H . . 1 . . 15652 2
8 1 . . . 7.335 . . . . . . . . . . . . . 44 PHE H . . 1 . . 15652 2
8 2 . . . 119.36 . . . . . . . . . . . . . 45 LEU N . . 1 . . 15652 2
8 3 . . . 8.305 . . . . . . . . . . . . . 45 LEU H . . 1 . . 15652 2
9 1 . . . 7.335 . . . . . . . . . . . . . 44 PHE H . . 1 . . 15652 2
9 2 . . . 123.566 . . . . . . . . . . . . . 43 ALA N . . 1 . . 15652 2
9 3 . . . 7.948 . . . . . . . . . . . . . 43 ALA H . . 1 . . 15652 2
10 1 . . . 7.418 . . . . . . . . . . . . . 50 LYS H . . 1 . . 15652 2
10 2 . . . 115.615 . . . . . . . . . . . . . 50 LYS N . . 1 . . 15652 2
10 3 . . . 7.419 . . . . . . . . . . . . . 50 LYS H . . 1 . . 15652 2
11 1 . . . 7.42 . . . . . . . . . . . . . 50 LYS H . . 1 . . 15652 2
11 2 . . . 115.728 . . . . . . . . . . . . . 51 ARG N . . 1 . . 15652 2
11 3 . . . 7.788 . . . . . . . . . . . . . 51 ARG H . . 1 . . 15652 2
12 1 . . . 7.423 . . . . . . . . . . . . . 50 LYS H . . 1 . . 15652 2
12 2 . . . 119.83 . . . . . . . . . . . . . 49 LEU N . . 1 . . 15652 2
12 3 . . . 8.73 . . . . . . . . . . . . . 49 LEU H . . 1 . . 15652 2
13 1 . . . 7.429 . . . . . . . . . . . . . 84 ASP H . . 1 . . 15652 2
13 2 . . . 117.577 . . . . . . . . . . . . . 84 ASP N . . 1 . . 15652 2
13 3 . . . 7.43 . . . . . . . . . . . . . 84 ASP H . . 1 . . 15652 2
14 1 . . . 7.429 . . . . . . . . . . . . . 84 ASP H . . 1 . . 15652 2
14 2 . . . 111.638 . . . . . . . . . . . . . 83 THR N . . 1 . . 15652 2
14 3 . . . 8.427 . . . . . . . . . . . . . 83 THR H . . 1 . . 15652 2
15 1 . . . 7.454 . . . . . . . . . . . . . 19 ASP H . . 1 . . 15652 2
15 2 . . . 117.04 . . . . . . . . . . . . . 19 ASP N . . 1 . . 15652 2
15 3 . . . 7.454 . . . . . . . . . . . . . 19 ASP H . . 1 . . 15652 2
16 1 . . . 7.454 . . . . . . . . . . . . . 19 ASP H . . 1 . . 15652 2
16 2 . . . 124.69 . . . . . . . . . . . . . 20 ALA N . . 1 . . 15652 2
16 3 . . . 7.124 . . . . . . . . . . . . . 20 ALA H . . 1 . . 15652 2
17 1 . . . 7.533 . . . . . . . . . . . . . 75 THR H . . 1 . . 15652 2
17 2 . . . 111.45 . . . . . . . . . . . . . 75 THR N . . 1 . . 15652 2
17 3 . . . 7.533 . . . . . . . . . . . . . 75 THR H . . 1 . . 15652 2
18 1 . . . 7.533 . . . . . . . . . . . . . 75 THR H . . 1 . . 15652 2
18 2 . . . 108.24 . . . . . . . . . . . . . 74 GLY N . . 1 . . 15652 2
18 3 . . . 8.532 . . . . . . . . . . . . . 74 GLY H . . 1 . . 15652 2
19 1 . . . 7.536 . . . . . . . . . . . . . 75 THR H . . 1 . . 15652 2
19 2 . . . 117.544 . . . . . . . . . . . . . 76 GLN N . . 1 . . 15652 2
19 3 . . . 8.581 . . . . . . . . . . . . . 76 GLN H . . 1 . . 15652 2
20 1 . . . 7.544 . . . . . . . . . . . . . 23 PHE H . . 1 . . 15652 2
20 2 . . . 121.23 . . . . . . . . . . . . . 22 ALA N . . 1 . . 15652 2
20 3 . . . 7.974 . . . . . . . . . . . . . 22 ALA H . . 1 . . 15652 2
21 1 . . . 7.545 . . . . . . . . . . . . . 23 PHE H . . 1 . . 15652 2
21 2 . . . 119.064 . . . . . . . . . . . . . 23 PHE N . . 1 . . 15652 2
21 3 . . . 7.542 . . . . . . . . . . . . . 23 PHE H . . 1 . . 15652 2
22 1 . . . 7.597 . . . . . . . . . . . . . 24 MET H . . 1 . . 15652 2
22 2 . . . 118.37 . . . . . . . . . . . . . 24 MET N . . 1 . . 15652 2
22 3 . . . 7.597 . . . . . . . . . . . . . 24 MET H . . 1 . . 15652 2
23 1 . . . 7.597 . . . . . . . . . . . . . 24 MET H . . 1 . . 15652 2
23 2 . . . 121.91 . . . . . . . . . . . . . 25 LYS N . . 1 . . 15652 2
23 3 . . . 8.131 . . . . . . . . . . . . . 25 LYS H . . 1 . . 15652 2
24 1 . . . 7.606 . . . . . . . . . . . . . 41 ASP H . . 1 . . 15652 2
24 2 . . . 121.057 . . . . . . . . . . . . . 40 VAL N . . 1 . . 15652 2
24 3 . . . 8.018 . . . . . . . . . . . . . 40 VAL H . . 1 . . 15652 2
25 1 . . . 7.609 . . . . . . . . . . . . . 41 ASP H . . 1 . . 15652 2
25 2 . . . 124.125 . . . . . . . . . . . . . 41 ASP N . . 1 . . 15652 2
25 3 . . . 7.611 . . . . . . . . . . . . . 41 ASP H . . 1 . . 15652 2
26 1 . . . 7.733 . . . . . . . . . . . . . 55 ALA H . . 1 . . 15652 2
26 2 . . . 122.25 . . . . . . . . . . . . . 55 ALA N . . 1 . . 15652 2
26 3 . . . 7.733 . . . . . . . . . . . . . 55 ALA H . . 1 . . 15652 2
27 1 . . . 7.733 . . . . . . . . . . . . . 55 ALA H . . 1 . . 15652 2
27 2 . . . 110.62 . . . . . . . . . . . . . 56 THR N . . 1 . . 15652 2
27 3 . . . 8.406 . . . . . . . . . . . . . 56 THR H . . 1 . . 15652 2
28 1 . . . 7.759 . . . . . . . . . . . . . 16 ARG H . . 1 . . 15652 2
28 2 . . . 126.1 . . . . . . . . . . . . . 15 ALA N . . 1 . . 15652 2
28 3 . . . 9.395 . . . . . . . . . . . . . 15 ALA H . . 1 . . 15652 2
29 1 . . . 7.786 . . . . . . . . . . . . . 51 ARG H . . 1 . . 15652 2
29 2 . . . 115.738 . . . . . . . . . . . . . 51 ARG N . . 1 . . 15652 2
29 3 . . . 7.788 . . . . . . . . . . . . . 51 ARG H . . 1 . . 15652 2
30 1 . . . 7.787 . . . . . . . . . . . . . 51 ARG H . . 1 . . 15652 2
30 2 . . . 115.606 . . . . . . . . . . . . . 50 LYS N . . 1 . . 15652 2
30 3 . . . 7.419 . . . . . . . . . . . . . 50 LYS H . . 1 . . 15652 2
31 1 . . . 7.837 . . . . . . . . . . . . . 62 GLY H . . 1 . . 15652 2
31 2 . . . 110.25 . . . . . . . . . . . . . 62 GLY N . . 1 . . 15652 2
31 3 . . . 7.837 . . . . . . . . . . . . . 62 GLY H . . 1 . . 15652 2
32 1 . . . 7.838 . . . . . . . . . . . . . 62 GLY H . . 1 . . 15652 2
32 2 . . . 122.785 . . . . . . . . . . . . . 63 VAL N . . 1 . . 15652 2
32 3 . . . 8.644 . . . . . . . . . . . . . 63 VAL H . . 1 . . 15652 2
33 1 . . . 7.874 . . . . . . . . . . . . . 21 LEU H . . 1 . . 15652 2
33 2 . . . 121.23 . . . . . . . . . . . . . 22 ALA N . . 1 . . 15652 2
33 3 . . . 7.974 . . . . . . . . . . . . . 22 ALA H . . 1 . . 15652 2
34 1 . . . 7.874 . . . . . . . . . . . . . 21 LEU H . . 1 . . 15652 2
34 2 . . . 124.69 . . . . . . . . . . . . . 20 ALA N . . 1 . . 15652 2
34 3 . . . 7.124 . . . . . . . . . . . . . 20 ALA H . . 1 . . 15652 2
35 1 . . . 7.877 . . . . . . . . . . . . . 21 LEU H . . 1 . . 15652 2
35 2 . . . 116.924 . . . . . . . . . . . . . 21 LEU N . . 1 . . 15652 2
35 3 . . . 7.87 . . . . . . . . . . . . . 21 LEU H . . 1 . . 15652 2
36 1 . . . 7.906 . . . . . . . . . . . . . 57 SER H . . 1 . . 15652 2
36 2 . . . 117.62 . . . . . . . . . . . . . 57 SER N . . 1 . . 15652 2
36 3 . . . 7.907 . . . . . . . . . . . . . 57 SER H . . 1 . . 15652 2
37 1 . . . 7.934 . . . . . . . . . . . . . 85 GLY H . . 1 . . 15652 2
37 2 . . . 117.635 . . . . . . . . . . . . . 84 ASP N . . 1 . . 15652 2
37 3 . . . 7.429 . . . . . . . . . . . . . 84 ASP H . . 1 . . 15652 2
38 1 . . . 7.95 . . . . . . . . . . . . . 43 ALA H . . 1 . . 15652 2
38 2 . . . 123.58 . . . . . . . . . . . . . 43 ALA N . . 1 . . 15652 2
38 3 . . . 7.95 . . . . . . . . . . . . . 43 ALA H . . 1 . . 15652 2
39 1 . . . 7.95 . . . . . . . . . . . . . 43 ALA H . . 1 . . 15652 2
39 2 . . . 109.58 . . . . . . . . . . . . . 42 GLY N . . 1 . . 15652 2
39 3 . . . 9.364 . . . . . . . . . . . . . 42 GLY H . . 1 . . 15652 2
40 1 . . . 7.96 . . . . . . . . . . . . . 37 VAL H . . 1 . . 15652 2
40 2 . . . 126.548 . . . . . . . . . . . . . 37 VAL N . . 1 . . 15652 2
40 3 . . . 7.961 . . . . . . . . . . . . . 37 VAL H . . 1 . . 15652 2
41 1 . . . 7.97 . . . . . . . . . . . . . 22 ALA H . . 1 . . 15652 2
41 2 . . . 121.246 . . . . . . . . . . . . . 22 ALA N . . 1 . . 15652 2
41 3 . . . 7.971 . . . . . . . . . . . . . 22 ALA H . . 1 . . 15652 2
42 1 . . . 7.974 . . . . . . . . . . . . . 22 ALA H . . 1 . . 15652 2
42 2 . . . 116.91 . . . . . . . . . . . . . 21 LEU N . . 1 . . 15652 2
42 3 . . . 7.874 . . . . . . . . . . . . . 21 LEU H . . 1 . . 15652 2
43 1 . . . 7.974 . . . . . . . . . . . . . 22 ALA H . . 1 . . 15652 2
43 2 . . . 119.05 . . . . . . . . . . . . . 23 PHE N . . 1 . . 15652 2
43 3 . . . 7.544 . . . . . . . . . . . . . 23 PHE H . . 1 . . 15652 2
44 1 . . . 7.985 . . . . . . . . . . . . . 26 VAL H . . 1 . . 15652 2
44 2 . . . 119.39 . . . . . . . . . . . . . 26 VAL N . . 1 . . 15652 2
44 3 . . . 7.985 . . . . . . . . . . . . . 26 VAL H . . 1 . . 15652 2
45 1 . . . 7.985 . . . . . . . . . . . . . 26 VAL H . . 1 . . 15652 2
45 2 . . . 121.91 . . . . . . . . . . . . . 25 LYS N . . 1 . . 15652 2
45 3 . . . 8.131 . . . . . . . . . . . . . 25 LYS H . . 1 . . 15652 2
46 1 . . . 8.019 . . . . . . . . . . . . . 40 VAL H . . 1 . . 15652 2
46 2 . . . 121.04 . . . . . . . . . . . . . 40 VAL N . . 1 . . 15652 2
46 3 . . . 8.019 . . . . . . . . . . . . . 40 VAL H . . 1 . . 15652 2
47 1 . . . 8.088 . . . . . . . . . . . . . 65 ASN H . . 1 . . 15652 2
47 2 . . . 114.16 . . . . . . . . . . . . . 65 ASN N . . 1 . . 15652 2
47 3 . . . 8.088 . . . . . . . . . . . . . 65 ASN H . . 1 . . 15652 2
48 1 . . . 8.088 . . . . . . . . . . . . . 65 ASN H . . 1 . . 15652 2
48 2 . . . 114.78 . . . . . . . . . . . . . 66 PHE N . . 1 . . 15652 2
48 3 . . . 9.062 . . . . . . . . . . . . . 66 PHE H . . 1 . . 15652 2
49 1 . . . 8.088 . . . . . . . . . . . . . 65 ASN H . . 1 . . 15652 2
49 2 . . . 129.79 . . . . . . . . . . . . . 64 ARG N . . 1 . . 15652 2
49 3 . . . 9.522 . . . . . . . . . . . . . 64 ARG H . . 1 . . 15652 2
50 1 . . . 8.131 . . . . . . . . . . . . . 25 LYS H . . 1 . . 15652 2
50 2 . . . 121.91 . . . . . . . . . . . . . 25 LYS N . . 1 . . 15652 2
50 3 . . . 8.131 . . . . . . . . . . . . . 25 LYS H . . 1 . . 15652 2
51 1 . . . 8.131 . . . . . . . . . . . . . 25 LYS H . . 1 . . 15652 2
51 2 . . . 119.39 . . . . . . . . . . . . . 26 VAL N . . 1 . . 15652 2
51 3 . . . 7.985 . . . . . . . . . . . . . 26 VAL H . . 1 . . 15652 2
52 1 . . . 8.131 . . . . . . . . . . . . . 25 LYS H . . 1 . . 15652 2
52 2 . . . 118.37 . . . . . . . . . . . . . 24 MET N . . 1 . . 15652 2
52 3 . . . 7.597 . . . . . . . . . . . . . 24 MET H . . 1 . . 15652 2
53 1 . . . 8.162 . . . . . . . . . . . . . 52 HIS H . . 1 . . 15652 2
53 2 . . . 125.068 . . . . . . . . . . . . . 52 HIS N . . 1 . . 15652 2
53 3 . . . 8.157 . . . . . . . . . . . . . 52 HIS H . . 1 . . 15652 2
54 1 . . . 8.178 . . . . . . . . . . . . . 58 LYS H . . 1 . . 15652 2
54 2 . . . 119.063 . . . . . . . . . . . . . 59 ILE N . . 1 . . 15652 2
54 3 . . . 8.403 . . . . . . . . . . . . . 59 ILE H . . 1 . . 15652 2
55 1 . . . 8.183 . . . . . . . . . . . . . 58 LYS H . . 1 . . 15652 2
55 2 . . . 120.77 . . . . . . . . . . . . . 58 LYS N . . 1 . . 15652 2
55 3 . . . 8.183 . . . . . . . . . . . . . 58 LYS H . . 1 . . 15652 2
56 1 . . . 8.192 . . . . . . . . . . . . . 12 HIS H . . 1 . . 15652 2
56 2 . . . 120.25 . . . . . . . . . . . . . 12 HIS N . . 1 . . 15652 2
56 3 . . . 8.192 . . . . . . . . . . . . . 12 HIS H . . 1 . . 15652 2
57 1 . . . 8.196 . . . . . . . . . . . . . 28 LEU H . . 1 . . 15652 2
57 2 . . . 112.284 . . . . . . . . . . . . . 29 ASN N . . 1 . . 15652 2
57 3 . . . 7.578 . . . . . . . . . . . . . 29 ASN H . . 1 . . 15652 2
58 1 . . . 8.305 . . . . . . . . . . . . . 45 LEU H . . 1 . . 15652 2
58 2 . . . 119.36 . . . . . . . . . . . . . 45 LEU N . . 1 . . 15652 2
58 3 . . . 8.305 . . . . . . . . . . . . . 45 LEU H . . 1 . . 15652 2
59 1 . . . 8.305 . . . . . . . . . . . . . 45 LEU H . . 1 . . 15652 2
59 2 . . . 118.47 . . . . . . . . . . . . . 46 VAL N . . 1 . . 15652 2
59 3 . . . 8.56 . . . . . . . . . . . . . 46 VAL H . . 1 . . 15652 2
60 1 . . . 8.31 . . . . . . . . . . . . . 48 ALA H . . 1 . . 15652 2
60 2 . . . 123.584 . . . . . . . . . . . . . 48 ALA N . . 1 . . 15652 2
60 3 . . . 8.311 . . . . . . . . . . . . . 48 ALA H . . 1 . . 15652 2
61 1 . . . 8.315 . . . . . . . . . . . . . 48 ALA H . . 1 . . 15652 2
61 2 . . . 119.83 . . . . . . . . . . . . . 49 LEU N . . 1 . . 15652 2
61 3 . . . 8.73 . . . . . . . . . . . . . 49 LEU H . . 1 . . 15652 2
62 1 . . . 8.315 . . . . . . . . . . . . . 48 ALA H . . 1 . . 15652 2
62 2 . . . 117.91 . . . . . . . . . . . . . 47 GLU N . . 1 . . 15652 2
62 3 . . . 6.896 . . . . . . . . . . . . . 47 GLU H . . 1 . . 15652 2
63 1 . . . 8.342 . . . . . . . . . . . . . 13 GLU H . . 1 . . 15652 2
63 2 . . . 122.93 . . . . . . . . . . . . . 13 GLU N . . 1 . . 15652 2
63 3 . . . 8.342 . . . . . . . . . . . . . 13 GLU H . . 1 . . 15652 2
64 1 . . . 8.342 . . . . . . . . . . . . . 13 GLU H . . 1 . . 15652 2
64 2 . . . 123.15 . . . . . . . . . . . . . 14 PHE N . . 1 . . 15652 2
64 3 . . . 9.118 . . . . . . . . . . . . . 14 PHE H . . 1 . . 15652 2
65 1 . . . 8.406 . . . . . . . . . . . . . 56 THR H . . 1 . . 15652 2
65 2 . . . 110.62 . . . . . . . . . . . . . 56 THR N . . 1 . . 15652 2
65 3 . . . 8.406 . . . . . . . . . . . . . 56 THR H . . 1 . . 15652 2
66 1 . . . 8.408 . . . . . . . . . . . . . 59 ILE H . . 1 . . 15652 2
66 2 . . . 119.05 . . . . . . . . . . . . . 59 ILE N . . 1 . . 15652 2
66 3 . . . 8.408 . . . . . . . . . . . . . 59 ILE H . . 1 . . 15652 2
67 1 . . . 8.408 . . . . . . . . . . . . . 59 ILE H . . 1 . . 15652 2
67 2 . . . 106.1 . . . . . . . . . . . . . 60 GLY N . . 1 . . 15652 2
67 3 . . . 7.36 . . . . . . . . . . . . . 60 GLY H . . 1 . . 15652 2
68 1 . . . 8.408 . . . . . . . . . . . . . 56 THR H . . 1 . . 15652 2
68 2 . . . 122.265 . . . . . . . . . . . . . 55 ALA N . . 1 . . 15652 2
68 3 . . . 7.732 . . . . . . . . . . . . . 55 ALA H . . 1 . . 15652 2
69 1 . . . 8.426 . . . . . . . . . . . . . 83 THR H . . 1 . . 15652 2
69 2 . . . 111.644 . . . . . . . . . . . . . 83 THR N . . 1 . . 15652 2
69 3 . . . 8.426 . . . . . . . . . . . . . 83 THR H . . 1 . . 15652 2
70 1 . . . 8.426 . . . . . . . . . . . . . 83 THR H . . 1 . . 15652 2
70 2 . . . 117.633 . . . . . . . . . . . . . 84 ASP N . . 1 . . 15652 2
70 3 . . . 7.43 . . . . . . . . . . . . . 84 ASP H . . 1 . . 15652 2
71 1 . . . 8.429 . . . . . . . . . . . . . 83 THR H . . 1 . . 15652 2
71 2 . . . 121.84 . . . . . . . . . . . . . 82 ARG N . . 1 . . 15652 2
71 3 . . . 8.98 . . . . . . . . . . . . . 82 ARG H . . 1 . . 15652 2
72 1 . . . 8.485 . . . . . . . . . . . . . 81 LEU H . . 1 . . 15652 2
72 2 . . . 127.852 . . . . . . . . . . . . . 81 LEU N . . 1 . . 15652 2
72 3 . . . 8.49 . . . . . . . . . . . . . 81 LEU H . . 1 . . 15652 2
73 1 . . . 8.49 . . . . . . . . . . . . . 81 LEU H . . 1 . . 15652 2
73 2 . . . 121.84 . . . . . . . . . . . . . 82 ARG N . . 1 . . 15652 2
73 3 . . . 8.977 . . . . . . . . . . . . . 82 ARG H . . 1 . . 15652 2
74 1 . . . 8.518 . . . . . . . . . . . . . 4 ALA H . . 1 . . 15652 2
74 2 . . . 126.906 . . . . . . . . . . . . . 4 ALA N . . 1 . . 15652 2
74 3 . . . 8.512 . . . . . . . . . . . . . 4 ALA H . . 1 . . 15652 2
75 1 . . . 8.524 . . . . . . . . . . . . . 5 GLN H . . 1 . . 15652 2
75 2 . . . 122.206 . . . . . . . . . . . . . 5 GLN N . . 1 . . 15652 2
75 3 . . . 8.519 . . . . . . . . . . . . . 5 GLN H . . 1 . . 15652 2
76 1 . . . 8.532 . . . . . . . . . . . . . 74 GLY H . . 1 . . 15652 2
76 2 . . . 108.24 . . . . . . . . . . . . . 74 GLY N . . 1 . . 15652 2
76 3 . . . 8.532 . . . . . . . . . . . . . 74 GLY H . . 1 . . 15652 2
77 1 . . . 8.532 . . . . . . . . . . . . . 74 GLY H . . 1 . . 15652 2
77 2 . . . 111.45 . . . . . . . . . . . . . 75 THR N . . 1 . . 15652 2
77 3 . . . 7.533 . . . . . . . . . . . . . 75 THR H . . 1 . . 15652 2
78 1 . . . 8.532 . . . . . . . . . . . . . 74 GLY H . . 1 . . 15652 2
78 2 . . . 117.86 . . . . . . . . . . . . . 73 TYR N . . 1 . . 15652 2
78 3 . . . 8.773 . . . . . . . . . . . . . 73 TYR H . . 1 . . 15652 2
79 1 . . . 8.56 . . . . . . . . . . . . . 46 VAL H . . 1 . . 15652 2
79 2 . . . 119.36 . . . . . . . . . . . . . 45 LEU N . . 1 . . 15652 2
79 3 . . . 8.305 . . . . . . . . . . . . . 45 LEU H . . 1 . . 15652 2
80 1 . . . 8.57 . . . . . . . . . . . . . 8 GLU H . . 1 . . 15652 2
80 2 . . . 128.45 . . . . . . . . . . . . . 8 GLU N . . 1 . . 15652 2
80 3 . . . 8.57 . . . . . . . . . . . . . 8 GLU H . . 1 . . 15652 2
81 1 . . . 8.57 . . . . . . . . . . . . . 8 GLU H . . 1 . . 15652 2
81 2 . . . 123.99 . . . . . . . . . . . . . 9 ILE N . . 1 . . 15652 2
81 3 . . . 8.589 . . . . . . . . . . . . . 9 ILE H . . 1 . . 15652 2
82 1 . . . 8.579 . . . . . . . . . . . . . 7 ILE H . . 1 . . 15652 2
82 2 . . . 120.42 . . . . . . . . . . . . . 7 ILE N . . 1 . . 15652 2
82 3 . . . 8.579 . . . . . . . . . . . . . 7 ILE H . . 1 . . 15652 2
83 1 . . . 8.589 . . . . . . . . . . . . . 9 ILE H . . 1 . . 15652 2
83 2 . . . 123.99 . . . . . . . . . . . . . 9 ILE N . . 1 . . 15652 2
83 3 . . . 8.589 . . . . . . . . . . . . . 9 ILE H . . 1 . . 15652 2
84 1 . . . 8.589 . . . . . . . . . . . . . 76 GLN H . . 1 . . 15652 2
84 2 . . . 117.48 . . . . . . . . . . . . . 76 GLN N . . 1 . . 15652 2
84 3 . . . 8.589 . . . . . . . . . . . . . 76 GLN H . . 1 . . 15652 2
85 1 . . . 8.589 . . . . . . . . . . . . . 76 GLN H . . 1 . . 15652 2
85 2 . . . 111.45 . . . . . . . . . . . . . 75 THR N . . 1 . . 15652 2
85 3 . . . 7.533 . . . . . . . . . . . . . 75 THR H . . 1 . . 15652 2
86 1 . . . 8.647 . . . . . . . . . . . . . 63 VAL H . . 1 . . 15652 2
86 2 . . . 129.79 . . . . . . . . . . . . . 64 ARG N . . 1 . . 15652 2
86 3 . . . 9.522 . . . . . . . . . . . . . 64 ARG H . . 1 . . 15652 2
87 1 . . . 8.647 . . . . . . . . . . . . . 63 VAL H . . 1 . . 15652 2
87 2 . . . 110.25 . . . . . . . . . . . . . 62 GLY N . . 1 . . 15652 2
87 3 . . . 7.837 . . . . . . . . . . . . . 62 GLY H . . 1 . . 15652 2
88 1 . . . 8.72 . . . . . . . . . . . . . 49 LEU H . . 1 . . 15652 2
88 2 . . . 123.589 . . . . . . . . . . . . . 48 ALA N . . 1 . . 15652 2
88 3 . . . 8.311 . . . . . . . . . . . . . 48 ALA H . . 1 . . 15652 2
89 1 . . . 8.722 . . . . . . . . . . . . . 49 LEU H . . 1 . . 15652 2
89 2 . . . 119.834 . . . . . . . . . . . . . 49 LEU N . . 1 . . 15652 2
89 3 . . . 8.725 . . . . . . . . . . . . . 49 LEU H . . 1 . . 15652 2
90 1 . . . 8.723 . . . . . . . . . . . . . 49 LEU H . . 1 . . 15652 2
90 2 . . . 115.577 . . . . . . . . . . . . . 50 LYS N . . 1 . . 15652 2
90 3 . . . 7.42 . . . . . . . . . . . . . 50 LYS H . . 1 . . 15652 2
91 1 . . . 8.773 . . . . . . . . . . . . . 73 TYR H . . 1 . . 15652 2
91 2 . . . 108.24 . . . . . . . . . . . . . 74 GLY N . . 1 . . 15652 2
91 3 . . . 8.532 . . . . . . . . . . . . . 74 GLY H . . 1 . . 15652 2
92 1 . . . 8.775 . . . . . . . . . . . . . 18 ALA H . . 1 . . 15652 2
92 2 . . . 118.673 . . . . . . . . . . . . . 18 ALA N . . 1 . . 15652 2
92 3 . . . 8.777 . . . . . . . . . . . . . 18 ALA H . . 1 . . 15652 2
93 1 . . . 8.853 . . . . . . . . . . . . . 38 SER H . . 1 . . 15652 2
93 2 . . . 122.757 . . . . . . . . . . . . . 38 SER N . . 1 . . 15652 2
93 3 . . . 8.853 . . . . . . . . . . . . . 38 SER H . . 1 . . 15652 2
94 1 . . . 8.896 . . . . . . . . . . . . . 69 ARG H . . 1 . . 15652 2
94 2 . . . 123.587 . . . . . . . . . . . . . 69 ARG N . . 1 . . 15652 2
94 3 . . . 8.898 . . . . . . . . . . . . . 69 ARG H . . 1 . . 15652 2
95 1 . . . 8.98 . . . . . . . . . . . . . 82 ARG H . . 1 . . 15652 2
95 2 . . . 111.641 . . . . . . . . . . . . . 83 THR N . . 1 . . 15652 2
95 3 . . . 8.423 . . . . . . . . . . . . . 83 THR H . . 1 . . 15652 2
96 1 . . . 8.983 . . . . . . . . . . . . . 82 ARG H . . 1 . . 15652 2
96 2 . . . 121.861 . . . . . . . . . . . . . 82 ARG N . . 1 . . 15652 2
96 3 . . . 8.98 . . . . . . . . . . . . . 82 ARG H . . 1 . . 15652 2
97 1 . . . 9.061 . . . . . . . . . . . . . 66 PHE H . . 1 . . 15652 2
97 2 . . . 114.715 . . . . . . . . . . . . . 66 PHE N . . 1 . . 15652 2
97 3 . . . 9.06 . . . . . . . . . . . . . 66 PHE H . . 1 . . 15652 2
98 1 . . . 9.062 . . . . . . . . . . . . . 66 PHE H . . 1 . . 15652 2
98 2 . . . 114.16 . . . . . . . . . . . . . 65 ASN N . . 1 . . 15652 2
98 3 . . . 8.088 . . . . . . . . . . . . . 65 ASN H . . 1 . . 15652 2
99 1 . . . 9.117 . . . . . . . . . . . . . 14 PHE H . . 1 . . 15652 2
99 2 . . . 122.952 . . . . . . . . . . . . . 13 GLU N . . 1 . . 15652 2
99 3 . . . 8.336 . . . . . . . . . . . . . 13 GLU H . . 1 . . 15652 2
100 1 . . . 9.118 . . . . . . . . . . . . . 14 PHE H . . 1 . . 15652 2
100 2 . . . 123.15 . . . . . . . . . . . . . 14 PHE N . . 1 . . 15652 2
100 3 . . . 9.118 . . . . . . . . . . . . . 14 PHE H . . 1 . . 15652 2
101 1 . . . 9.304 . . . . . . . . . . . . . 17 LYS H . . 1 . . 15652 2
101 2 . . . 125.23 . . . . . . . . . . . . . 17 LYS N . . 1 . . 15652 2
101 3 . . . 9.304 . . . . . . . . . . . . . 17 LYS H . . 1 . . 15652 2
102 1 . . . 9.322 . . . . . . . . . . . . . 67 GLU H . . 1 . . 15652 2
102 2 . . . 122.087 . . . . . . . . . . . . . 67 GLU N . . 1 . . 15652 2
102 3 . . . 9.325 . . . . . . . . . . . . . 67 GLU H . . 1 . . 15652 2
103 1 . . . 9.363 . . . . . . . . . . . . . 42 GLY H . . 1 . . 15652 2
103 2 . . . 123.572 . . . . . . . . . . . . . 43 ALA N . . 1 . . 15652 2
103 3 . . . 7.947 . . . . . . . . . . . . . 43 ALA H . . 1 . . 15652 2
104 1 . . . 9.395 . . . . . . . . . . . . . 15 ALA H . . 1 . . 15652 2
104 2 . . . 126.1 . . . . . . . . . . . . . 15 ALA N . . 1 . . 15652 2
104 3 . . . 9.395 . . . . . . . . . . . . . 15 ALA H . . 1 . . 15652 2
105 1 . . . 9.395 . . . . . . . . . . . . . 15 ALA H . . 1 . . 15652 2
105 2 . . . 110.23 . . . . . . . . . . . . . 16 ARG N . . 1 . . 15652 2
105 3 . . . 7.759 . . . . . . . . . . . . . 16 ARG H . . 1 . . 15652 2
106 1 . . . 9.522 . . . . . . . . . . . . . 64 ARG H . . 1 . . 15652 2
106 2 . . . 129.79 . . . . . . . . . . . . . 64 ARG N . . 1 . . 15652 2
106 3 . . . 9.522 . . . . . . . . . . . . . 64 ARG H . . 1 . . 15652 2
107 1 . . . 9.522 . . . . . . . . . . . . . 64 ARG H . . 1 . . 15652 2
107 2 . . . 114.16 . . . . . . . . . . . . . 65 ASN N . . 1 . . 15652 2
107 3 . . . 8.088 . . . . . . . . . . . . . 65 ASN H . . 1 . . 15652 2
108 1 . . . 9.533 . . . . . . . . . . . . . 64 ARG H . . 1 . . 15652 2
108 2 . . . 122.859 . . . . . . . . . . . . . 63 VAL N . . 1 . . 15652 2
108 3 . . . 8.648 . . . . . . . . . . . . . 63 VAL H . . 1 . . 15652 2
109 1 . . . 9.582 . . . . . . . . . . . . . 34 GLY H . . 1 . . 15652 2
109 2 . . . 122.084 . . . . . . . . . . . . . 35 ASP N . . 1 . . 15652 2
109 3 . . . 8.254 . . . . . . . . . . . . . 35 ASP H . . 1 . . 15652 2
110 1 . . . 10.002 . . . . . . . . . . . . . 79 TRP H . . 1 . . 15652 2
110 2 . . . 121.003 . . . . . . . . . . . . . 79 TRP N . . 1 . . 15652 2
110 3 . . . 10.003 . . . . . . . . . . . . . 79 TRP H . . 1 . . 15652 2
stop_
save_