data_18220
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 18220
_Entry.Title
;
Backbone structure of human membrane protein TMEM14A
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2012-01-26
_Entry.Accession_date 2012-01-26
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Cedric Eichmann . . . 18220
2 Christian Klammt . . . 18220
3 Innokentiy Maslennikov . . . 18220
4 Witek Kwiatkowski . . . 18220
5 Roland Riek . . . 18220
6 Senyon Choe . . . 18220
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 'not applicable' 'not applicable' . 18220
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'Backbone structure' . 18220
'Helical bundle' . 18220
'Homo sapiens' . 18220
'Membrane protein' . 18220
'Paramagnetic relaxation enhancement' . 18220
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 18220
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 350 18220
'15N chemical shifts' 97 18220
'1H chemical shifts' 372 18220
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 . . 2013-07-15 2012-01-26 update BMRB 'update entry citation' 18220
1 . . 2012-05-22 2012-01-26 original author 'original release' 18220
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 18217 HIGD1A 18220
BMRB 18218 HIGD1B 18220
BMRB 18219 TMEM14A(NOE) 18220
BMRB 18221 FAM14B 18220
BMRB 18222 TMEM141 18220
BMRB 18223 TMEM14C 18220
PDB 2LOP 'BMRB Entry Tracking System' 18220
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 18220
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 22609626
_Citation.Full_citation .
_Citation.Title 'Facile backbone structure determination of human membrane proteins by NMR spectroscopy.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Nat. Methods'
_Citation.Journal_name_full 'Nature methods'
_Citation.Journal_volume 9
_Citation.Journal_issue 8
_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 834
_Citation.Page_last 839
_Citation.Year 2012
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Christian Klammt . . . 18220 1
2 Innokentiy Maslennikov . . . 18220 1
3 Monika Bayrhuber . . . 18220 1
4 Cedric Eichmann . . . 18220 1
5 Navratna Vajpai . . . 18220 1
6 'Ellis Jeremy Chua' Chiu . . . 18220 1
7 Katherine Blain . Y. . 18220 1
8 Luis Esquivies . . . 18220 1
9 'June Hyun Jung' Kwon . . . 18220 1
10 Bartosz Balana . . . 18220 1
11 Ursula Pieper . . . 18220 1
12 Andrej Sali . . . 18220 1
13 Paul Slesinger . A. . 18220 1
14 Witek Kwiatkowski . . . 18220 1
15 Roland Riek . . . 18220 1
16 Senyon Choe . . . 18220 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 18220
_Assembly.ID 1
_Assembly.Name TMEM14A
_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 TMEM14A 1 $TMEM14A A . yes native no no . . . 18220 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_TMEM14A
_Entity.Sf_category entity
_Entity.Sf_framecode TMEM14A
_Entity.Entry_ID 18220
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity
_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
;
MTSLYKKVGMDLIGFGYAAL
VTFGSIFGYKRRGGVPSLIA
GLFVGCLAGYGAYRVSNDKR
DVKVSLFTAFFLATIMGVRF
KRSKKIMPAGLVAGLSLMMI
LRLVLLLL
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details 'Residues 1-9 represent GW cloning 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 108
_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 'The following single-cysteine mutations were made for spin-labeling with MTSL: C37S/Y20C, C37S/S47C, C37S/S56C, C37S/S74C, C37S/S87C, C37S/L99C'
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 10725.127
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no BMRB 18219 . entity . . . . . 100.00 108 100.00 100.00 6.30e-66 . . . . 18220 1
2 no PDB 2LOO . "Backbone Structure Of Human Membrane Protein Tmem14a From Noe Data" . . . . . 100.00 108 100.00 100.00 6.30e-66 . . . . 18220 1
3 no PDB 2LOP . "Backbone Structure Of Human Membrane Protein Tmem14a" . . . . . 100.00 108 100.00 100.00 6.30e-66 . . . . 18220 1
4 no DBJ BAG34999 . "unnamed protein product [Homo sapiens]" . . . . . 91.67 99 100.00 100.00 2.52e-59 . . . . 18220 1
5 no GB AAD44496 . "PTD011 [Homo sapiens]" . . . . . 91.67 99 100.00 100.00 2.52e-59 . . . . 18220 1
6 no GB AAF59948 . "TS58 [Homo sapiens]" . . . . . 91.67 99 100.00 100.00 2.52e-59 . . . . 18220 1
7 no GB AAH15097 . "Transmembrane protein 14A [Homo sapiens]" . . . . . 91.67 99 100.00 100.00 2.52e-59 . . . . 18220 1
8 no GB AAH19328 . "Transmembrane protein 14A [Homo sapiens]" . . . . . 91.67 99 100.00 100.00 2.52e-59 . . . . 18220 1
9 no GB ADQ32420 . "transmembrane protein 14A [synthetic construct]" . . . . . 91.67 99 100.00 100.00 2.52e-59 . . . . 18220 1
10 no REF NP_001253566 . "transmembrane protein 14A [Macaca mulatta]" . . . . . 91.67 99 98.99 98.99 1.07e-57 . . . . 18220 1
11 no REF NP_054770 . "transmembrane protein 14A [Homo sapiens]" . . . . . 91.67 99 100.00 100.00 2.52e-59 . . . . 18220 1
12 no REF XP_002746732 . "PREDICTED: transmembrane protein 14A [Callithrix jacchus]" . . . . . 91.67 99 98.99 98.99 1.07e-57 . . . . 18220 1
13 no REF XP_002817046 . "PREDICTED: transmembrane protein 14A [Pongo abelii]" . . . . . 91.67 99 98.99 98.99 1.07e-57 . . . . 18220 1
14 no REF XP_003254199 . "PREDICTED: transmembrane protein 14A isoform X2 [Nomascus leucogenys]" . . . . . 91.67 99 98.99 98.99 1.07e-57 . . . . 18220 1
15 no SP Q9Y6G1 . "RecName: Full=Transmembrane protein 14A" . . . . . 91.67 99 100.00 100.00 2.52e-59 . . . . 18220 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 -8 MET . 18220 1
2 -7 THR . 18220 1
3 -6 SER . 18220 1
4 -5 LEU . 18220 1
5 -4 TYR . 18220 1
6 -3 LYS . 18220 1
7 -2 LYS . 18220 1
8 -1 VAL . 18220 1
9 0 GLY . 18220 1
10 1 MET . 18220 1
11 2 ASP . 18220 1
12 3 LEU . 18220 1
13 4 ILE . 18220 1
14 5 GLY . 18220 1
15 6 PHE . 18220 1
16 7 GLY . 18220 1
17 8 TYR . 18220 1
18 9 ALA . 18220 1
19 10 ALA . 18220 1
20 11 LEU . 18220 1
21 12 VAL . 18220 1
22 13 THR . 18220 1
23 14 PHE . 18220 1
24 15 GLY . 18220 1
25 16 SER . 18220 1
26 17 ILE . 18220 1
27 18 PHE . 18220 1
28 19 GLY . 18220 1
29 20 TYR . 18220 1
30 21 LYS . 18220 1
31 22 ARG . 18220 1
32 23 ARG . 18220 1
33 24 GLY . 18220 1
34 25 GLY . 18220 1
35 26 VAL . 18220 1
36 27 PRO . 18220 1
37 28 SER . 18220 1
38 29 LEU . 18220 1
39 30 ILE . 18220 1
40 31 ALA . 18220 1
41 32 GLY . 18220 1
42 33 LEU . 18220 1
43 34 PHE . 18220 1
44 35 VAL . 18220 1
45 36 GLY . 18220 1
46 37 CYS . 18220 1
47 38 LEU . 18220 1
48 39 ALA . 18220 1
49 40 GLY . 18220 1
50 41 TYR . 18220 1
51 42 GLY . 18220 1
52 43 ALA . 18220 1
53 44 TYR . 18220 1
54 45 ARG . 18220 1
55 46 VAL . 18220 1
56 47 SER . 18220 1
57 48 ASN . 18220 1
58 49 ASP . 18220 1
59 50 LYS . 18220 1
60 51 ARG . 18220 1
61 52 ASP . 18220 1
62 53 VAL . 18220 1
63 54 LYS . 18220 1
64 55 VAL . 18220 1
65 56 SER . 18220 1
66 57 LEU . 18220 1
67 58 PHE . 18220 1
68 59 THR . 18220 1
69 60 ALA . 18220 1
70 61 PHE . 18220 1
71 62 PHE . 18220 1
72 63 LEU . 18220 1
73 64 ALA . 18220 1
74 65 THR . 18220 1
75 66 ILE . 18220 1
76 67 MET . 18220 1
77 68 GLY . 18220 1
78 69 VAL . 18220 1
79 70 ARG . 18220 1
80 71 PHE . 18220 1
81 72 LYS . 18220 1
82 73 ARG . 18220 1
83 74 SER . 18220 1
84 75 LYS . 18220 1
85 76 LYS . 18220 1
86 77 ILE . 18220 1
87 78 MET . 18220 1
88 79 PRO . 18220 1
89 80 ALA . 18220 1
90 81 GLY . 18220 1
91 82 LEU . 18220 1
92 83 VAL . 18220 1
93 84 ALA . 18220 1
94 85 GLY . 18220 1
95 86 LEU . 18220 1
96 87 SER . 18220 1
97 88 LEU . 18220 1
98 89 MET . 18220 1
99 90 MET . 18220 1
100 91 ILE . 18220 1
101 92 LEU . 18220 1
102 93 ARG . 18220 1
103 94 LEU . 18220 1
104 95 VAL . 18220 1
105 96 LEU . 18220 1
106 97 LEU . 18220 1
107 98 LEU . 18220 1
108 99 LEU . 18220 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 18220 1
. THR 2 2 18220 1
. SER 3 3 18220 1
. LEU 4 4 18220 1
. TYR 5 5 18220 1
. LYS 6 6 18220 1
. LYS 7 7 18220 1
. VAL 8 8 18220 1
. GLY 9 9 18220 1
. MET 10 10 18220 1
. ASP 11 11 18220 1
. LEU 12 12 18220 1
. ILE 13 13 18220 1
. GLY 14 14 18220 1
. PHE 15 15 18220 1
. GLY 16 16 18220 1
. TYR 17 17 18220 1
. ALA 18 18 18220 1
. ALA 19 19 18220 1
. LEU 20 20 18220 1
. VAL 21 21 18220 1
. THR 22 22 18220 1
. PHE 23 23 18220 1
. GLY 24 24 18220 1
. SER 25 25 18220 1
. ILE 26 26 18220 1
. PHE 27 27 18220 1
. GLY 28 28 18220 1
. TYR 29 29 18220 1
. LYS 30 30 18220 1
. ARG 31 31 18220 1
. ARG 32 32 18220 1
. GLY 33 33 18220 1
. GLY 34 34 18220 1
. VAL 35 35 18220 1
. PRO 36 36 18220 1
. SER 37 37 18220 1
. LEU 38 38 18220 1
. ILE 39 39 18220 1
. ALA 40 40 18220 1
. GLY 41 41 18220 1
. LEU 42 42 18220 1
. PHE 43 43 18220 1
. VAL 44 44 18220 1
. GLY 45 45 18220 1
. CYS 46 46 18220 1
. LEU 47 47 18220 1
. ALA 48 48 18220 1
. GLY 49 49 18220 1
. TYR 50 50 18220 1
. GLY 51 51 18220 1
. ALA 52 52 18220 1
. TYR 53 53 18220 1
. ARG 54 54 18220 1
. VAL 55 55 18220 1
. SER 56 56 18220 1
. ASN 57 57 18220 1
. ASP 58 58 18220 1
. LYS 59 59 18220 1
. ARG 60 60 18220 1
. ASP 61 61 18220 1
. VAL 62 62 18220 1
. LYS 63 63 18220 1
. VAL 64 64 18220 1
. SER 65 65 18220 1
. LEU 66 66 18220 1
. PHE 67 67 18220 1
. THR 68 68 18220 1
. ALA 69 69 18220 1
. PHE 70 70 18220 1
. PHE 71 71 18220 1
. LEU 72 72 18220 1
. ALA 73 73 18220 1
. THR 74 74 18220 1
. ILE 75 75 18220 1
. MET 76 76 18220 1
. GLY 77 77 18220 1
. VAL 78 78 18220 1
. ARG 79 79 18220 1
. PHE 80 80 18220 1
. LYS 81 81 18220 1
. ARG 82 82 18220 1
. SER 83 83 18220 1
. LYS 84 84 18220 1
. LYS 85 85 18220 1
. ILE 86 86 18220 1
. MET 87 87 18220 1
. PRO 88 88 18220 1
. ALA 89 89 18220 1
. GLY 90 90 18220 1
. LEU 91 91 18220 1
. VAL 92 92 18220 1
. ALA 93 93 18220 1
. GLY 94 94 18220 1
. LEU 95 95 18220 1
. SER 96 96 18220 1
. LEU 97 97 18220 1
. MET 98 98 18220 1
. MET 99 99 18220 1
. ILE 100 100 18220 1
. LEU 101 101 18220 1
. ARG 102 102 18220 1
. LEU 103 103 18220 1
. VAL 104 104 18220 1
. LEU 105 105 18220 1
. LEU 106 106 18220 1
. LEU 107 107 18220 1
. LEU 108 108 18220 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 18220
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $TMEM14A . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18220 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 18220
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $TMEM14A . 'cell free synthesis' 'E. coli - cell free' . . . . . . . . . . . . . . . . . . . . . p23-GWN . . . . . . 18220 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_N
_Sample.Sf_category sample
_Sample.Sf_framecode sample_N
_Sample.Entry_ID 18220
_Sample.ID 1
_Sample.Type micelle
_Sample.Sub_type .
_Sample.Details 'U-15N-labeled protein'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 TMEM14A [U-15N] . . 1 $TMEM14A . . 0.2 . . mM . . . . 18220 1
2 MES-Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18220 1
3 LMPG 'natural abundance' . . . . . . 2 . . % . . . . 18220 1
4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18220 1
5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18220 1
6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18220 1
stop_
save_
save_sample_ND
_Sample.Sf_category sample
_Sample.Sf_framecode sample_ND
_Sample.Entry_ID 18220
_Sample.ID 2
_Sample.Type micelle
_Sample.Sub_type .
_Sample.Details 'U-15N-2H-labeled protein'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 TMEM14A '[U-15N; U-2H]' . . 1 $TMEM14A . . 0.2 . . mM . . . . 18220 2
2 MES-Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18220 2
3 LMPG 'natural abundance' . . . . . . 2 . . % . . . . 18220 2
4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18220 2
5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18220 2
6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18220 2
stop_
save_
save_sample_NC
_Sample.Sf_category sample
_Sample.Sf_framecode sample_NC
_Sample.Entry_ID 18220
_Sample.ID 3
_Sample.Type micelle
_Sample.Sub_type .
_Sample.Details 'U-15N-13C-labeled protein'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 TMEM14A '[U-15N; U-13C]' . . 1 $TMEM14A . . 0.2 . . mM . . . . 18220 3
2 MES-Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18220 3
3 LMPG 'natural abundance' . . . . . . 2 . . % . . . . 18220 3
4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18220 3
5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18220 3
6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18220 3
stop_
save_
save_samples_SL
_Sample.Sf_category sample
_Sample.Sf_framecode samples_SL
_Sample.Entry_ID 18220
_Sample.ID 4
_Sample.Type micelle
_Sample.Sub_type .
_Sample.Details 'U-15N-labeled single-cysteine mutants with paramagnetic spin-label (MTSL)'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 TMEM14A [U-15N] . . 1 $TMEM14A . . 0.2 . . mM . . . . 18220 4
2 MES-Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18220 4
3 LMPG 'natural abundance' . . . . . . 2 . . % . . . . 18220 4
4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18220 4
5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18220 4
6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18220 4
stop_
save_
save_samples_DL
_Sample.Sf_category sample
_Sample.Sf_framecode samples_DL
_Sample.Entry_ID 18220
_Sample.ID 5
_Sample.Type micelle
_Sample.Sub_type .
_Sample.Details 'U-15N-labeled single-cysteine mutants with diamagnetic analog of MTSL'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 TMEM14A [U-15N] . . 1 $TMEM14A . . 0.2 . . mM . . . . 18220 5
2 MES-Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18220 5
3 LMPG 'natural abundance' . . . . . . 2 . . % . . . . 18220 5
4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18220 5
5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18220 5
6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18220 5
stop_
save_
save_sample_CS
_Sample.Sf_category sample
_Sample.Sf_framecode sample_CS
_Sample.Entry_ID 18220
_Sample.ID 6
_Sample.Type micelle
_Sample.Sub_type .
_Sample.Details 'U-15N-labeled cysteine-free mutant protein'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 TMEM14A [U-15N] . . 1 $TMEM14A . . 0.2 . . mM . . . . 18220 6
2 MES-Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18220 6
3 LMPG 'natural abundance' . . . . . . 2 . . % . . . . 18220 6
4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18220 6
5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18220 6
6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18220 6
stop_
save_
save_sample_NCD
_Sample.Sf_category sample
_Sample.Sf_framecode sample_NCD
_Sample.Entry_ID 18220
_Sample.ID 7
_Sample.Type micelle
_Sample.Sub_type .
_Sample.Details 'U-15N-13C-2H-labeled protein'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 TMEM14A '[U-15N; U-13C; U-2H]' . . 1 $TMEM14A . . 0.2 . . mM . . . . 18220 7
2 MES-Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18220 7
3 LMPG 'natural abundance' . . . . . . 2 . . % . . . . 18220 7
4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18220 7
5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18220 7
6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18220 7
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 18220
_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' 40 20 mM 18220 1
pH 6.0 . pH 18220 1
pressure 1 . atm 18220 1
temperature 310 . K 18220 1
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Software.Sf_category software
_Software.Sf_framecode TOPSPIN
_Software.Entry_ID 18220
_Software.ID 1
_Software.Name TOPSPIN
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bruker Biospin' . . 18220 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 18220 1
processing 18220 1
stop_
save_
save_CARA
_Software.Sf_category software
_Software.Sf_framecode CARA
_Software.Entry_ID 18220
_Software.ID 2
_Software.Name CARA
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Keller and Wuthrich' . . 18220 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 18220 2
'data analysis' 18220 2
stop_
save_
save_PROSA
_Software.Sf_category software
_Software.Sf_framecode PROSA
_Software.Entry_ID 18220
_Software.ID 3
_Software.Name PROSA
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Guntert . . 18220 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 18220 3
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 18220
_Software.ID 4
_Software.Name CYANA
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 18220 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 18220 4
stop_
save_
save_Molmol
_Software.Sf_category software
_Software.Sf_framecode Molmol
_Software.Entry_ID 18220
_Software.ID 5
_Software.Name Molmol
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Koradi, Billeter and Wuthrich' . . 18220 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure analysis' 18220 5
'structure visualization' 18220 5
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 18220
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DRX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 700
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 18220
_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 DRX . 700 . . . 18220 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 18220
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_CS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18220 1
2 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $samples_SL isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18220 1
3 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $samples_DL isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18220 1
4 '3D HNCO' no . . . . . . . . . . 7 $sample_NCD isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18220 1
5 '3D HNCACB' no . . . . . . . . . . 7 $sample_NCD isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18220 1
6 '3D 13C-15N HSQC-NOESY-HSQC' no . . . . . . . . . . 3 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18220 1
7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_ND isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18220 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 18220
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 water protons . . . . ppm 4.703 internal indirect 0.25144953 . . . . . . . . . 18220 1
H 1 water protons . . . . ppm 4.703 internal direct 1.0 . . . . . . . . . 18220 1
N 15 water protons . . . . ppm 4.703 internal indirect 0.101329118 . . . . . . . . . 18220 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 18220
_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
4 '3D HNCO' . . . 18220 1
5 '3D HNCACB' . . . 18220 1
6 '3D 13C-15N HSQC-NOESY-HSQC' . . . 18220 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 10 10 MET H H 1 8.261 0.01 . 1 . . . A 1 MET H . 18220 1
2 . 1 1 10 10 MET CA C 13 57.243 0.1 . 1 . . . A 1 MET CA . 18220 1
3 . 1 1 10 10 MET CB C 13 31.802 0.1 . 1 . . . A 1 MET CB . 18220 1
4 . 1 1 10 10 MET N N 15 118.991 0.1 . 1 . . . A 1 MET N . 18220 1
5 . 1 1 11 11 ASP H H 1 7.863 0.01 . 1 . . . A 2 ASP H . 18220 1
6 . 1 1 11 11 ASP CA C 13 55.918 0.1 . 1 . . . A 2 ASP CA . 18220 1
7 . 1 1 11 11 ASP CB C 13 37.959 0.1 . 1 . . . A 2 ASP CB . 18220 1
8 . 1 1 11 11 ASP N N 15 120.536 0.1 . 1 . . . A 2 ASP N . 18220 1
9 . 1 1 12 12 LEU H H 1 8.285 0.01 . 1 . . . A 3 LEU H . 18220 1
10 . 1 1 12 12 LEU C C 13 176.162 0.1 . 1 . . . A 3 LEU C . 18220 1
11 . 1 1 12 12 LEU CA C 13 57.6 0.1 . 1 . . . A 3 LEU CA . 18220 1
12 . 1 1 12 12 LEU CB C 13 41.657 0.1 . 1 . . . A 3 LEU CB . 18220 1
13 . 1 1 12 12 LEU N N 15 121.414 0.1 . 1 . . . A 3 LEU N . 18220 1
14 . 1 1 13 13 ILE H H 1 8.031 0.01 . 1 . . . A 4 ILE H . 18220 1
15 . 1 1 13 13 ILE HA H 1 3.74 0.01 . 1 . . . A 4 ILE HA . 18220 1
16 . 1 1 13 13 ILE C C 13 175.228 0.1 . 1 . . . A 4 ILE C . 18220 1
17 . 1 1 13 13 ILE CA C 13 64.5 0.1 . 1 . . . A 4 ILE CA . 18220 1
18 . 1 1 13 13 ILE CB C 13 37.102 0.1 . 1 . . . A 4 ILE CB . 18220 1
19 . 1 1 13 13 ILE CG1 C 13 28.762 0.1 . 1 . . . A 4 ILE CG1 . 18220 1
20 . 1 1 13 13 ILE CG2 C 13 17.265 0.1 . 1 . . . A 4 ILE CG2 . 18220 1
21 . 1 1 13 13 ILE CD1 C 13 12.667 0.1 . 1 . . . A 4 ILE CD1 . 18220 1
22 . 1 1 13 13 ILE N N 15 118.854 0.1 . 1 . . . A 4 ILE N . 18220 1
23 . 1 1 14 14 GLY H H 1 8.148 0.01 . 1 . . . A 5 GLY H . 18220 1
24 . 1 1 14 14 GLY HA2 H 1 2.98 0.01 . 2 . . . A 5 GLY HA2 . 18220 1
25 . 1 1 14 14 GLY HA3 H 1 3.92 0.01 . 2 . . . A 5 GLY HA3 . 18220 1
26 . 1 1 14 14 GLY C C 13 174.424 0.1 . 1 . . . A 5 GLY C . 18220 1
27 . 1 1 14 14 GLY CA C 13 47.059 0.1 . 1 . . . A 5 GLY CA . 18220 1
28 . 1 1 14 14 GLY N N 15 107.478 0.1 . 1 . . . A 5 GLY N . 18220 1
29 . 1 1 15 15 PHE H H 1 8.194 0.01 . 1 . . . A 6 PHE H . 18220 1
30 . 1 1 15 15 PHE HA H 1 4.48 0.01 . 1 . . . A 6 PHE HA . 18220 1
31 . 1 1 15 15 PHE HB2 H 1 3.23 0.01 . 2 . . . A 6 PHE HB2 . 18220 1
32 . 1 1 15 15 PHE HB3 H 1 3.23 0.01 . 2 . . . A 6 PHE HB3 . 18220 1
33 . 1 1 15 15 PHE C C 13 175.113 0.1 . 1 . . . A 6 PHE C . 18220 1
34 . 1 1 15 15 PHE CA C 13 60.017 0.1 . 1 . . . A 6 PHE CA . 18220 1
35 . 1 1 15 15 PHE CB C 13 38.774 0.1 . 1 . . . A 6 PHE CB . 18220 1
36 . 1 1 15 15 PHE N N 15 122.774 0.1 . 1 . . . A 6 PHE N . 18220 1
37 . 1 1 16 16 GLY H H 1 8.697 0.01 . 1 . . . A 7 GLY H . 18220 1
38 . 1 1 16 16 GLY HA2 H 1 3.65 0.01 . 2 . . . A 7 GLY HA2 . 18220 1
39 . 1 1 16 16 GLY HA3 H 1 3.71 0.01 . 2 . . . A 7 GLY HA3 . 18220 1
40 . 1 1 16 16 GLY C C 13 171.838 0.1 . 1 . . . A 7 GLY C . 18220 1
41 . 1 1 16 16 GLY CA C 13 47.1 0.1 . 1 . . . A 7 GLY CA . 18220 1
42 . 1 1 16 16 GLY N N 15 107.938 0.1 . 1 . . . A 7 GLY N . 18220 1
43 . 1 1 17 17 TYR H H 1 8.71 0.01 . 1 . . . A 8 TYR H . 18220 1
44 . 1 1 17 17 TYR HA H 1 4.15 0.01 . 1 . . . A 8 TYR HA . 18220 1
45 . 1 1 17 17 TYR HB2 H 1 3.119 0.01 . 2 . . . A 8 TYR HB2 . 18220 1
46 . 1 1 17 17 TYR HB3 H 1 3.119 0.01 . 2 . . . A 8 TYR HB3 . 18220 1
47 . 1 1 17 17 TYR C C 13 174.18 0.1 . 1 . . . A 8 TYR C . 18220 1
48 . 1 1 17 17 TYR CA C 13 61.3 0.1 . 1 . . . A 8 TYR CA . 18220 1
49 . 1 1 17 17 TYR CB C 13 37.959 0.1 . 1 . . . A 8 TYR CB . 18220 1
50 . 1 1 17 17 TYR N N 15 121.785 0.1 . 1 . . . A 8 TYR N . 18220 1
51 . 1 1 18 18 ALA H H 1 7.843 0.01 . 1 . . . A 9 ALA H . 18220 1
52 . 1 1 18 18 ALA HA H 1 3.95 0.01 . 1 . . . A 9 ALA HA . 18220 1
53 . 1 1 18 18 ALA HB1 H 1 1.487 0.01 . 1 . . . A 9 ALA HB1 . 18220 1
54 . 1 1 18 18 ALA HB2 H 1 1.487 0.01 . 1 . . . A 9 ALA HB2 . 18220 1
55 . 1 1 18 18 ALA HB3 H 1 1.487 0.01 . 1 . . . A 9 ALA HB3 . 18220 1
56 . 1 1 18 18 ALA C C 13 178.059 0.1 . 1 . . . A 9 ALA C . 18220 1
57 . 1 1 18 18 ALA CA C 13 54.872 0.1 . 1 . . . A 9 ALA CA . 18220 1
58 . 1 1 18 18 ALA CB C 13 17.562 0.1 . 1 . . . A 9 ALA CB . 18220 1
59 . 1 1 18 18 ALA N N 15 120.233 0.1 . 1 . . . A 9 ALA N . 18220 1
60 . 1 1 19 19 ALA H H 1 8.212 0.01 . 1 . . . A 10 ALA H . 18220 1
61 . 1 1 19 19 ALA HA H 1 3.95 0.01 . 1 . . . A 10 ALA HA . 18220 1
62 . 1 1 19 19 ALA HB1 H 1 1.385 0.01 . 1 . . . A 10 ALA HB1 . 18220 1
63 . 1 1 19 19 ALA HB2 H 1 1.385 0.01 . 1 . . . A 10 ALA HB2 . 18220 1
64 . 1 1 19 19 ALA HB3 H 1 1.385 0.01 . 1 . . . A 10 ALA HB3 . 18220 1
65 . 1 1 19 19 ALA C C 13 176.191 0.1 . 1 . . . A 10 ALA C . 18220 1
66 . 1 1 19 19 ALA CA C 13 54.6 0.1 . 1 . . . A 10 ALA CA . 18220 1
67 . 1 1 19 19 ALA CB C 13 17.562 0.1 . 1 . . . A 10 ALA CB . 18220 1
68 . 1 1 19 19 ALA N N 15 121.797 0.1 . 1 . . . A 10 ALA N . 18220 1
69 . 1 1 20 20 LEU H H 1 8.065 0.01 . 1 . . . A 11 LEU H . 18220 1
70 . 1 1 20 20 LEU HA H 1 3.937 0.01 . 1 . . . A 11 LEU HA . 18220 1
71 . 1 1 20 20 LEU HB2 H 1 1.809 0.01 . 2 . . . A 11 LEU HB2 . 18220 1
72 . 1 1 20 20 LEU HB3 H 1 1.809 0.01 . 2 . . . A 11 LEU HB3 . 18220 1
73 . 1 1 20 20 LEU C C 13 176.694 0.1 . 1 . . . A 11 LEU C . 18220 1
74 . 1 1 20 20 LEU CA C 13 57.8 0.1 . 1 . . . A 11 LEU CA . 18220 1
75 . 1 1 20 20 LEU CB C 13 41.222 0.1 . 1 . . . A 11 LEU CB . 18220 1
76 . 1 1 20 20 LEU CG C 13 26.685 0.1 . 1 . . . A 11 LEU CG . 18220 1
77 . 1 1 20 20 LEU CD1 C 13 24.534 0.1 . 2 . . . A 11 LEU CD1 . 18220 1
78 . 1 1 20 20 LEU CD2 C 13 24.237 0.1 . 2 . . . A 11 LEU CD2 . 18220 1
79 . 1 1 20 20 LEU N N 15 119.442 0.1 . 1 . . . A 11 LEU N . 18220 1
80 . 1 1 21 21 VAL H H 1 8.051 0.01 . 1 . . . A 12 VAL H . 18220 1
81 . 1 1 21 21 VAL HA H 1 3.64 0.01 . 1 . . . A 12 VAL HA . 18220 1
82 . 1 1 21 21 VAL HB H 1 1.969 0.01 . 1 . . . A 12 VAL HB . 18220 1
83 . 1 1 21 21 VAL HG11 H 1 0.709 0.01 . 2 . . . A 12 VAL HG11 . 18220 1
84 . 1 1 21 21 VAL HG12 H 1 0.709 0.01 . 2 . . . A 12 VAL HG12 . 18220 1
85 . 1 1 21 21 VAL HG13 H 1 0.709 0.01 . 2 . . . A 12 VAL HG13 . 18220 1
86 . 1 1 21 21 VAL HG21 H 1 0.709 0.01 . 2 . . . A 12 VAL HG21 . 18220 1
87 . 1 1 21 21 VAL HG22 H 1 0.709 0.01 . 2 . . . A 12 VAL HG22 . 18220 1
88 . 1 1 21 21 VAL HG23 H 1 0.709 0.01 . 2 . . . A 12 VAL HG23 . 18220 1
89 . 1 1 21 21 VAL C C 13 176.536 0.1 . 1 . . . A 12 VAL C . 18220 1
90 . 1 1 21 21 VAL CA C 13 65.4 0.1 . 1 . . . A 12 VAL CA . 18220 1
91 . 1 1 21 21 VAL CB C 13 31.135 0.1 . 1 . . . A 12 VAL CB . 18220 1
92 . 1 1 21 21 VAL CG1 C 13 21.27 0.1 . 2 . . . A 12 VAL CG1 . 18220 1
93 . 1 1 21 21 VAL CG2 C 13 21.27 0.1 . 2 . . . A 12 VAL CG2 . 18220 1
94 . 1 1 21 21 VAL N N 15 118.323 0.1 . 1 . . . A 12 VAL N . 18220 1
95 . 1 1 22 22 THR H H 1 7.944 0.01 . 1 . . . A 13 THR H . 18220 1
96 . 1 1 22 22 THR HA H 1 4.66 0.01 . 1 . . . A 13 THR HA . 18220 1
97 . 1 1 22 22 THR HG21 H 1 0.845 0.01 . 1 . . . A 13 THR HG21 . 18220 1
98 . 1 1 22 22 THR HG22 H 1 0.845 0.01 . 1 . . . A 13 THR HG22 . 18220 1
99 . 1 1 22 22 THR HG23 H 1 0.845 0.01 . 1 . . . A 13 THR HG23 . 18220 1
100 . 1 1 22 22 THR C C 13 173.734 0.1 . 1 . . . A 13 THR C . 18220 1
101 . 1 1 22 22 THR CA C 13 66.3 0.1 . 1 . . . A 13 THR CA . 18220 1
102 . 1 1 22 22 THR CB C 13 67.775 0.1 . 1 . . . A 13 THR CB . 18220 1
103 . 1 1 22 22 THR CG2 C 13 21.345 0.1 . 1 . . . A 13 THR CG2 . 18220 1
104 . 1 1 22 22 THR N N 15 118.298 0.1 . 1 . . . A 13 THR N . 18220 1
105 . 1 1 23 23 PHE H H 1 8.567 0.01 . 1 . . . A 14 PHE H . 18220 1
106 . 1 1 23 23 PHE HA H 1 4.34 0.01 . 1 . . . A 14 PHE HA . 18220 1
107 . 1 1 23 23 PHE HB2 H 1 3.082 0.01 . 2 . . . A 14 PHE HB2 . 18220 1
108 . 1 1 23 23 PHE C C 13 174.783 0.1 . 1 . . . A 14 PHE C . 18220 1
109 . 1 1 23 23 PHE CA C 13 60.5 0.1 . 1 . . . A 14 PHE CA . 18220 1
110 . 1 1 23 23 PHE CB C 13 38.626 0.1 . 1 . . . A 14 PHE CB . 18220 1
111 . 1 1 23 23 PHE N N 15 121.328 0.1 . 1 . . . A 14 PHE N . 18220 1
112 . 1 1 24 24 GLY H H 1 8.475 0.01 . 1 . . . A 15 GLY H . 18220 1
113 . 1 1 24 24 GLY HA2 H 1 3.62 0.01 . 2 . . . A 15 GLY HA2 . 18220 1
114 . 1 1 24 24 GLY HA3 H 1 3.72 0.01 . 2 . . . A 15 GLY HA3 . 18220 1
115 . 1 1 24 24 GLY C C 13 172.858 0.1 . 1 . . . A 15 GLY C . 18220 1
116 . 1 1 24 24 GLY CA C 13 46.9 0.1 . 1 . . . A 15 GLY CA . 18220 1
117 . 1 1 24 24 GLY N N 15 106.871 0.1 . 1 . . . A 15 GLY N . 18220 1
118 . 1 1 25 25 SER H H 1 7.963 0.01 . 1 . . . A 16 SER H . 18220 1
119 . 1 1 25 25 SER HA H 1 4.28 0.01 . 1 . . . A 16 SER HA . 18220 1
120 . 1 1 25 25 SER HB2 H 1 3.96 0.01 . 2 . . . A 16 SER HB2 . 18220 1
121 . 1 1 25 25 SER HB3 H 1 3.96 0.01 . 2 . . . A 16 SER HB3 . 18220 1
122 . 1 1 25 25 SER CA C 13 60.3 0.1 . 1 . . . A 16 SER CA . 18220 1
123 . 1 1 25 25 SER CB C 13 62.879 0.1 . 1 . . . A 16 SER CB . 18220 1
124 . 1 1 25 25 SER N N 15 116.214 0.1 . 1 . . . A 16 SER N . 18220 1
125 . 1 1 26 26 ILE H H 1 7.676 0.01 . 1 . . . A 17 ILE H . 18220 1
126 . 1 1 26 26 ILE HA H 1 3.946 0.01 . 1 . . . A 17 ILE HA . 18220 1
127 . 1 1 26 26 ILE HB H 1 1.623 0.01 . 1 . . . A 17 ILE HB . 18220 1
128 . 1 1 26 26 ILE C C 13 173.935 0.1 . 1 . . . A 17 ILE C . 18220 1
129 . 1 1 26 26 ILE CA C 13 63.1 0.1 . 1 . . . A 17 ILE CA . 18220 1
130 . 1 1 26 26 ILE CB C 13 38.107 0.1 . 1 . . . A 17 ILE CB . 18220 1
131 . 1 1 26 26 ILE CG1 C 13 27.222 0.1 . 1 . . . A 17 ILE CG1 . 18220 1
132 . 1 1 26 26 ILE CG2 C 13 16.445 0.1 . 1 . . . A 17 ILE CG2 . 18220 1
133 . 1 1 26 26 ILE CD1 C 13 13.301 0.1 . 1 . . . A 17 ILE CD1 . 18220 1
134 . 1 1 26 26 ILE N N 15 121.024 0.1 . 1 . . . A 17 ILE N . 18220 1
135 . 1 1 27 27 PHE H H 1 7.703 0.01 . 1 . . . A 18 PHE H . 18220 1
136 . 1 1 27 27 PHE HA H 1 4.43 0.01 . 1 . . . A 18 PHE HA . 18220 1
137 . 1 1 27 27 PHE HB2 H 1 2.662 0.01 . 2 . . . A 18 PHE HB2 . 18220 1
138 . 1 1 27 27 PHE HB3 H 1 2.662 0.01 . 2 . . . A 18 PHE HB3 . 18220 1
139 . 1 1 27 27 PHE HD1 H 1 7.124 0.01 . 3 . . . A 18 PHE HD1 . 18220 1
140 . 1 1 27 27 PHE HD2 H 1 7.124 0.01 . 3 . . . A 18 PHE HD2 . 18220 1
141 . 1 1 27 27 PHE C C 13 173.504 0.1 . 1 . . . A 18 PHE C . 18220 1
142 . 1 1 27 27 PHE CA C 13 58.5 0.1 . 1 . . . A 18 PHE CA . 18220 1
143 . 1 1 27 27 PHE CB C 13 38.774 0.1 . 1 . . . A 18 PHE CB . 18220 1
144 . 1 1 27 27 PHE N N 15 117.142 0.1 . 1 . . . A 18 PHE N . 18220 1
145 . 1 1 28 28 GLY H H 1 7.722 0.01 . 1 . . . A 19 GLY H . 18220 1
146 . 1 1 28 28 GLY HA2 H 1 3.87 0.01 . 2 . . . A 19 GLY HA2 . 18220 1
147 . 1 1 28 28 GLY HA3 H 1 3.94 0.01 . 2 . . . A 19 GLY HA3 . 18220 1
148 . 1 1 28 28 GLY C C 13 171.593 0.1 . 1 . . . A 19 GLY C . 18220 1
149 . 1 1 28 28 GLY CA C 13 45.6 0.1 . 1 . . . A 19 GLY CA . 18220 1
150 . 1 1 28 28 GLY N N 15 107.303 0.1 . 1 . . . A 19 GLY N . 18220 1
151 . 1 1 29 29 TYR H H 1 7.88 0.01 . 1 . . . A 20 TYR H . 18220 1
152 . 1 1 29 29 TYR HA H 1 4.392 0.01 . 1 . . . A 20 TYR HA . 18220 1
153 . 1 1 29 29 TYR HB2 H 1 2.946 0.01 . 2 . . . A 20 TYR HB2 . 18220 1
154 . 1 1 29 29 TYR HB3 H 1 2.946 0.01 . 2 . . . A 20 TYR HB3 . 18220 1
155 . 1 1 29 29 TYR HD1 H 1 7.038 0.01 . 3 . . . A 20 TYR HD1 . 18220 1
156 . 1 1 29 29 TYR HD2 H 1 7.038 0.01 . 3 . . . A 20 TYR HD2 . 18220 1
157 . 1 1 29 29 TYR C C 13 173.174 0.1 . 1 . . . A 20 TYR C . 18220 1
158 . 1 1 29 29 TYR CA C 13 58.5 0.1 . 1 . . . A 20 TYR CA . 18220 1
159 . 1 1 29 29 TYR CB C 13 38.404 0.1 . 1 . . . A 20 TYR CB . 18220 1
160 . 1 1 29 29 TYR N N 15 119.862 0.1 . 1 . . . A 20 TYR N . 18220 1
161 . 1 1 30 30 LYS H H 1 7.934 0.01 . 1 . . . A 21 LYS H . 18220 1
162 . 1 1 30 30 LYS HA H 1 4.39 0.01 . 1 . . . A 21 LYS HA . 18220 1
163 . 1 1 30 30 LYS HB2 H 1 1.623 0.01 . 2 . . . A 21 LYS HB2 . 18220 1
164 . 1 1 30 30 LYS HB3 H 1 1.623 0.01 . 2 . . . A 21 LYS HB3 . 18220 1
165 . 1 1 30 30 LYS C C 13 173.547 0.1 . 1 . . . A 21 LYS C . 18220 1
166 . 1 1 30 30 LYS CA C 13 55.8 0.1 . 1 . . . A 21 LYS CA . 18220 1
167 . 1 1 30 30 LYS CB C 13 32.396 0.1 . 1 . . . A 21 LYS CB . 18220 1
168 . 1 1 30 30 LYS CG C 13 24.386 0.1 . 1 . . . A 21 LYS CG . 18220 1
169 . 1 1 30 30 LYS N N 15 122.335 0.1 . 1 . . . A 21 LYS N . 18220 1
170 . 1 1 31 31 ARG H H 1 7.905 0.01 . 1 . . . A 22 ARG H . 18220 1
171 . 1 1 31 31 ARG C C 13 173.547 0.1 . 1 . . . A 22 ARG C . 18220 1
172 . 1 1 31 31 ARG CA C 13 55.834 0.1 . 1 . . . A 22 ARG CA . 18220 1
173 . 1 1 31 31 ARG CB C 13 30.101 0.1 . 1 . . . A 22 ARG CB . 18220 1
174 . 1 1 31 31 ARG CG C 13 26.645 0.1 . 1 . . . A 22 ARG CG . 18220 1
175 . 1 1 31 31 ARG CD C 13 42.953 0.1 . 1 . . . A 22 ARG CD . 18220 1
176 . 1 1 31 31 ARG N N 15 120.612 0.1 . 1 . . . A 22 ARG N . 18220 1
177 . 1 1 32 32 ARG H H 1 8.175 0.01 . 1 . . . A 23 ARG H . 18220 1
178 . 1 1 32 32 ARG HA H 1 4.31 0.01 . 1 . . . A 23 ARG HA . 18220 1
179 . 1 1 32 32 ARG C C 13 173.863 0.1 . 1 . . . A 23 ARG C . 18220 1
180 . 1 1 32 32 ARG CA C 13 55.8 0.1 . 1 . . . A 23 ARG CA . 18220 1
181 . 1 1 32 32 ARG CB C 13 30.245 0.1 . 1 . . . A 23 ARG CB . 18220 1
182 . 1 1 32 32 ARG CG C 13 26.759 0.1 . 1 . . . A 23 ARG CG . 18220 1
183 . 1 1 32 32 ARG CD C 13 42.953 0.1 . 1 . . . A 23 ARG CD . 18220 1
184 . 1 1 32 32 ARG N N 15 121.748 0.1 . 1 . . . A 23 ARG N . 18220 1
185 . 1 1 33 33 GLY H H 1 8.264 0.01 . 1 . . . A 24 GLY H . 18220 1
186 . 1 1 33 33 GLY HA2 H 1 3.92 0.01 . 2 . . . A 24 GLY HA2 . 18220 1
187 . 1 1 33 33 GLY HA3 H 1 4.02 0.01 . 2 . . . A 24 GLY HA3 . 18220 1
188 . 1 1 33 33 GLY C C 13 171.752 0.1 . 1 . . . A 24 GLY C . 18220 1
189 . 1 1 33 33 GLY CA C 13 44.9 0.1 . 1 . . . A 24 GLY CA . 18220 1
190 . 1 1 33 33 GLY N N 15 109.528 0.1 . 1 . . . A 24 GLY N . 18220 1
191 . 1 1 34 34 GLY H H 1 8.208 0.01 . 1 . . . A 25 GLY H . 18220 1
192 . 1 1 34 34 GLY HA2 H 1 3.9 0.01 . 2 . . . A 25 GLY HA2 . 18220 1
193 . 1 1 34 34 GLY HA3 H 1 4.09 0.01 . 2 . . . A 25 GLY HA3 . 18220 1
194 . 1 1 34 34 GLY C C 13 171.701 0.1 . 1 . . . A 25 GLY C . 18220 1
195 . 1 1 34 34 GLY CA C 13 44.6 0.1 . 1 . . . A 25 GLY CA . 18220 1
196 . 1 1 34 34 GLY N N 15 108.563 0.1 . 1 . . . A 25 GLY N . 18220 1
197 . 1 1 35 35 VAL H H 1 8.485 0.01 . 1 . . . A 26 VAL H . 18220 1
198 . 1 1 35 35 VAL HA H 1 4.01 0.01 . 1 . . . A 26 VAL HA . 18220 1
199 . 1 1 35 35 VAL HB H 1 2.156 0.01 . 1 . . . A 26 VAL HB . 18220 1
200 . 1 1 35 35 VAL HG11 H 1 0.975 0.01 . 2 . . . A 26 VAL HG11 . 18220 1
201 . 1 1 35 35 VAL HG12 H 1 0.975 0.01 . 2 . . . A 26 VAL HG12 . 18220 1
202 . 1 1 35 35 VAL HG13 H 1 0.975 0.01 . 2 . . . A 26 VAL HG13 . 18220 1
203 . 1 1 35 35 VAL HG21 H 1 0.975 0.01 . 2 . . . A 26 VAL HG21 . 18220 1
204 . 1 1 35 35 VAL HG22 H 1 0.975 0.01 . 2 . . . A 26 VAL HG22 . 18220 1
205 . 1 1 35 35 VAL HG23 H 1 0.975 0.01 . 2 . . . A 26 VAL HG23 . 18220 1
206 . 1 1 35 35 VAL C C 13 175.888 0.1 . 1 . . . A 26 VAL C . 18220 1
207 . 1 1 35 35 VAL CA C 13 63.9 0.1 . 1 . . . A 26 VAL CA . 18220 1
208 . 1 1 35 35 VAL CB C 13 30.69 0.1 . 1 . . . A 26 VAL CB . 18220 1
209 . 1 1 35 35 VAL CG1 C 13 21.79 0.1 . 2 . . . A 26 VAL CG1 . 18220 1
210 . 1 1 35 35 VAL CG2 C 13 22.457 0.1 . 2 . . . A 26 VAL CG2 . 18220 1
211 . 1 1 35 35 VAL N N 15 121.164 0.1 . 1 . . . A 26 VAL N . 18220 1
212 . 1 1 36 36 PRO C C 13 177.66 0.1 . 1 . . . A 27 PRO C . 18220 1
213 . 1 1 36 36 PRO CA C 13 61.847 0.1 . 1 . . . A 27 PRO CA . 18220 1
214 . 1 1 36 36 PRO CD C 13 49.757 0.1 . 1 . . . A 27 PRO CD . 18220 1
215 . 1 1 37 37 SER H H 1 7.948 0.01 . 1 . . . A 28 SER H . 18220 1
216 . 1 1 37 37 SER HA H 1 4.28 0.01 . 1 . . . A 28 SER HA . 18220 1
217 . 1 1 37 37 SER CA C 13 61.1 0.1 . 1 . . . A 28 SER CA . 18220 1
218 . 1 1 37 37 SER N N 15 116.023 0.1 . 1 . . . A 28 SER N . 18220 1
219 . 1 1 38 38 LEU H H 1 8.201 0.01 . 1 . . . A 29 LEU H . 18220 1
220 . 1 1 38 38 LEU HA H 1 4.17 0.01 . 1 . . . A 29 LEU HA . 18220 1
221 . 1 1 38 38 LEU C C 13 176.132 0.1 . 1 . . . A 29 LEU C . 18220 1
222 . 1 1 38 38 LEU CA C 13 57.5 0.1 . 1 . . . A 29 LEU CA . 18220 1
223 . 1 1 38 38 LEU CB C 13 42.038 0.1 . 1 . . . A 29 LEU CB . 18220 1
224 . 1 1 38 38 LEU CG C 13 26.907 0.1 . 1 . . . A 29 LEU CG . 18220 1
225 . 1 1 38 38 LEU N N 15 124.029 0.1 . 1 . . . A 29 LEU N . 18220 1
226 . 1 1 39 39 ILE H H 1 7.662 0.01 . 1 . . . A 30 ILE H . 18220 1
227 . 1 1 39 39 ILE HA H 1 4.37 0.01 . 1 . . . A 30 ILE HA . 18220 1
228 . 1 1 39 39 ILE C C 13 176.478 0.1 . 1 . . . A 30 ILE C . 18220 1
229 . 1 1 39 39 ILE CA C 13 63.079 0.1 . 1 . . . A 30 ILE CA . 18220 1
230 . 1 1 39 39 ILE CB C 13 36.973 0.1 . 1 . . . A 30 ILE CB . 18220 1
231 . 1 1 39 39 ILE CG1 C 13 28.056 0.1 . 1 . . . A 30 ILE CG1 . 18220 1
232 . 1 1 39 39 ILE CD1 C 13 13.109 0.1 . 1 . . . A 30 ILE CD1 . 18220 1
233 . 1 1 39 39 ILE N N 15 117.098 0.1 . 1 . . . A 30 ILE N . 18220 1
234 . 1 1 40 40 ALA H H 1 8.096 0.01 . 1 . . . A 31 ALA H . 18220 1
235 . 1 1 40 40 ALA HA H 1 4.034 0.01 . 1 . . . A 31 ALA HA . 18220 1
236 . 1 1 40 40 ALA HB1 H 1 1.45 0.01 . 1 . . . A 31 ALA HB1 . 18220 1
237 . 1 1 40 40 ALA HB2 H 1 1.45 0.01 . 1 . . . A 31 ALA HB2 . 18220 1
238 . 1 1 40 40 ALA HB3 H 1 1.45 0.01 . 1 . . . A 31 ALA HB3 . 18220 1
239 . 1 1 40 40 ALA C C 13 177.067 0.1 . 1 . . . A 31 ALA C . 18220 1
240 . 1 1 40 40 ALA CA C 13 55.962 0.1 . 1 . . . A 31 ALA CA . 18220 1
241 . 1 1 40 40 ALA CB C 13 17.856 0.1 . 1 . . . A 31 ALA CB . 18220 1
242 . 1 1 40 40 ALA N N 15 122.447 0.1 . 1 . . . A 31 ALA N . 18220 1
243 . 1 1 41 41 GLY H H 1 8.123 0.01 . 1 . . . A 32 GLY H . 18220 1
244 . 1 1 41 41 GLY HA2 H 1 3.87 0.01 . 2 . . . A 32 GLY HA2 . 18220 1
245 . 1 1 41 41 GLY HA3 H 1 3.95 0.01 . 2 . . . A 32 GLY HA3 . 18220 1
246 . 1 1 41 41 GLY C C 13 174.251 0.1 . 1 . . . A 32 GLY C . 18220 1
247 . 1 1 41 41 GLY CA C 13 46.5 0.1 . 1 . . . A 32 GLY CA . 18220 1
248 . 1 1 41 41 GLY N N 15 104.056 0.1 . 1 . . . A 32 GLY N . 18220 1
249 . 1 1 42 42 LEU H H 1 7.914 0.01 . 1 . . . A 33 LEU H . 18220 1
250 . 1 1 42 42 LEU HA H 1 3.857 0.01 . 1 . . . A 33 LEU HA . 18220 1
251 . 1 1 42 42 LEU HB2 H 1 1.511 0.01 . 2 . . . A 33 LEU HB2 . 18220 1
252 . 1 1 42 42 LEU HB3 H 1 1.835 0.01 . 2 . . . A 33 LEU HB3 . 18220 1
253 . 1 1 42 42 LEU HG H 1 1.195 0.01 . 1 . . . A 33 LEU HG . 18220 1
254 . 1 1 42 42 LEU HD11 H 1 0.824 0.01 . 2 . . . A 33 LEU HD11 . 18220 1
255 . 1 1 42 42 LEU HD12 H 1 0.824 0.01 . 2 . . . A 33 LEU HD12 . 18220 1
256 . 1 1 42 42 LEU HD13 H 1 0.824 0.01 . 2 . . . A 33 LEU HD13 . 18220 1
257 . 1 1 42 42 LEU HD21 H 1 0.824 0.01 . 2 . . . A 33 LEU HD21 . 18220 1
258 . 1 1 42 42 LEU HD22 H 1 0.824 0.01 . 2 . . . A 33 LEU HD22 . 18220 1
259 . 1 1 42 42 LEU HD23 H 1 0.824 0.01 . 2 . . . A 33 LEU HD23 . 18220 1
260 . 1 1 42 42 LEU C C 13 176.033 0.1 . 1 . . . A 33 LEU C . 18220 1
261 . 1 1 42 42 LEU CA C 13 56.668 0.1 . 1 . . . A 33 LEU CA . 18220 1
262 . 1 1 42 42 LEU CB C 13 41.721 0.1 . 1 . . . A 33 LEU CB . 18220 1
263 . 1 1 42 42 LEU CG C 13 26.324 0.1 . 1 . . . A 33 LEU CG . 18220 1
264 . 1 1 42 42 LEU CD1 C 13 24.832 0.1 . 2 . . . A 33 LEU CD1 . 18220 1
265 . 1 1 42 42 LEU CD2 C 13 23.373 0.1 . 2 . . . A 33 LEU CD2 . 18220 1
266 . 1 1 42 42 LEU N N 15 123.25 0.1 . 1 . . . A 33 LEU N . 18220 1
267 . 1 1 43 43 PHE H H 1 8.287 0.01 . 1 . . . A 34 PHE H . 18220 1
268 . 1 1 43 43 PHE HA H 1 4.2 0.01 . 1 . . . A 34 PHE HA . 18220 1
269 . 1 1 43 43 PHE HB2 H 1 3.109 0.01 . 2 . . . A 34 PHE HB2 . 18220 1
270 . 1 1 43 43 PHE HB3 H 1 3.262 0.01 . 2 . . . A 34 PHE HB3 . 18220 1
271 . 1 1 43 43 PHE C C 13 174.374 0.1 . 1 . . . A 34 PHE C . 18220 1
272 . 1 1 43 43 PHE CA C 13 59.876 0.1 . 1 . . . A 34 PHE CA . 18220 1
273 . 1 1 43 43 PHE CB C 13 38.834 0.1 . 1 . . . A 34 PHE CB . 18220 1
274 . 1 1 43 43 PHE N N 15 119.757 0.1 . 1 . . . A 34 PHE N . 18220 1
275 . 1 1 44 44 VAL H H 1 8.235 0.01 . 1 . . . A 35 VAL H . 18220 1
276 . 1 1 44 44 VAL HA H 1 3.61 0.01 . 1 . . . A 35 VAL HA . 18220 1
277 . 1 1 44 44 VAL HB H 1 2.17 0.01 . 1 . . . A 35 VAL HB . 18220 1
278 . 1 1 44 44 VAL HG11 H 1 0.998 0.01 . 2 . . . A 35 VAL HG11 . 18220 1
279 . 1 1 44 44 VAL HG12 H 1 0.998 0.01 . 2 . . . A 35 VAL HG12 . 18220 1
280 . 1 1 44 44 VAL HG13 H 1 0.998 0.01 . 2 . . . A 35 VAL HG13 . 18220 1
281 . 1 1 44 44 VAL HG21 H 1 1.161 0.01 . 2 . . . A 35 VAL HG21 . 18220 1
282 . 1 1 44 44 VAL HG22 H 1 1.161 0.01 . 2 . . . A 35 VAL HG22 . 18220 1
283 . 1 1 44 44 VAL HG23 H 1 1.161 0.01 . 2 . . . A 35 VAL HG23 . 18220 1
284 . 1 1 44 44 VAL C C 13 176.205 0.1 . 1 . . . A 35 VAL C . 18220 1
285 . 1 1 44 44 VAL CA C 13 64.559 0.1 . 1 . . . A 35 VAL CA . 18220 1
286 . 1 1 44 44 VAL CB C 13 31.432 0.1 . 1 . . . A 35 VAL CB . 18220 1
287 . 1 1 44 44 VAL CG1 C 13 21.196 0.1 . 2 . . . A 35 VAL CG1 . 18220 1
288 . 1 1 44 44 VAL CG2 C 13 22.16 0.1 . 2 . . . A 35 VAL CG2 . 18220 1
289 . 1 1 44 44 VAL N N 15 117.791 0.1 . 1 . . . A 35 VAL N . 18220 1
290 . 1 1 45 45 GLY H H 1 8.178 0.01 . 1 . . . A 36 GLY H . 18220 1
291 . 1 1 45 45 GLY HA2 H 1 3.871 0.01 . 2 . . . A 36 GLY HA2 . 18220 1
292 . 1 1 45 45 GLY HA3 H 1 3.958 0.01 . 2 . . . A 36 GLY HA3 . 18220 1
293 . 1 1 45 45 GLY C C 13 173.749 0.1 . 1 . . . A 36 GLY C . 18220 1
294 . 1 1 45 45 GLY CA C 13 46.083 0.1 . 1 . . . A 36 GLY CA . 18220 1
295 . 1 1 45 45 GLY N N 15 108.551 0.1 . 1 . . . A 36 GLY N . 18220 1
296 . 1 1 46 46 CYS H H 1 8.253 0.01 . 1 . . . A 37 CYS H . 18220 1
297 . 1 1 46 46 CYS HA H 1 4.18 0.01 . 1 . . . A 37 CYS HA . 18220 1
298 . 1 1 46 46 CYS HB2 H 1 3.055 0.01 . 2 . . . A 37 CYS HB2 . 18220 1
299 . 1 1 46 46 CYS HB3 H 1 3.055 0.01 . 2 . . . A 37 CYS HB3 . 18220 1
300 . 1 1 46 46 CYS C C 13 173.71 0.1 . 1 . . . A 37 CYS C . 18220 1
301 . 1 1 46 46 CYS CA C 13 63 0.1 . 1 . . . A 37 CYS CA . 18220 1
302 . 1 1 46 46 CYS CB C 13 26.72 0.1 . 1 . . . A 37 CYS CB . 18220 1
303 . 1 1 46 46 CYS N N 15 121.173 0.1 . 1 . . . A 37 CYS N . 18220 1
304 . 1 1 47 47 LEU H H 1 7.965 0.01 . 1 . . . A 38 LEU H . 18220 1
305 . 1 1 47 47 LEU HA H 1 4.06 0.01 . 1 . . . A 38 LEU HA . 18220 1
306 . 1 1 47 47 LEU C C 13 176.679 0.1 . 1 . . . A 38 LEU C . 18220 1
307 . 1 1 47 47 LEU CA C 13 56.027 0.1 . 1 . . . A 38 LEU CA . 18220 1
308 . 1 1 47 47 LEU CB C 13 41.464 0.1 . 1 . . . A 38 LEU CB . 18220 1
309 . 1 1 47 47 LEU CG C 13 26.645 0.1 . 1 . . . A 38 LEU CG . 18220 1
310 . 1 1 47 47 LEU N N 15 120.283 0.1 . 1 . . . A 38 LEU N . 18220 1
311 . 1 1 48 48 ALA H H 1 8.066 0.01 . 1 . . . A 39 ALA H . 18220 1
312 . 1 1 48 48 ALA HA H 1 4.142 0.01 . 1 . . . A 39 ALA HA . 18220 1
313 . 1 1 48 48 ALA HB1 H 1 1.421 0.01 . 1 . . . A 39 ALA HB1 . 18220 1
314 . 1 1 48 48 ALA HB2 H 1 1.421 0.01 . 1 . . . A 39 ALA HB2 . 18220 1
315 . 1 1 48 48 ALA HB3 H 1 1.421 0.01 . 1 . . . A 39 ALA HB3 . 18220 1
316 . 1 1 48 48 ALA C C 13 177.915 0.1 . 1 . . . A 39 ALA C . 18220 1
317 . 1 1 48 48 ALA CA C 13 53.717 0.1 . 1 . . . A 39 ALA CA . 18220 1
318 . 1 1 48 48 ALA CB C 13 17.985 0.1 . 1 . . . A 39 ALA CB . 18220 1
319 . 1 1 48 48 ALA N N 15 122.249 0.1 . 1 . . . A 39 ALA N . 18220 1
320 . 1 1 49 49 GLY H H 1 8.172 0.01 . 1 . . . A 40 GLY H . 18220 1
321 . 1 1 49 49 GLY HA2 H 1 3.73 0.01 . 2 . . . A 40 GLY HA2 . 18220 1
322 . 1 1 49 49 GLY HA3 H 1 3.92 0.01 . 2 . . . A 40 GLY HA3 . 18220 1
323 . 1 1 49 49 GLY C C 13 172.527 0.1 . 1 . . . A 40 GLY C . 18220 1
324 . 1 1 49 49 GLY CA C 13 45.45 0.1 . 1 . . . A 40 GLY CA . 18220 1
325 . 1 1 49 49 GLY N N 15 107.377 0.1 . 1 . . . A 40 GLY N . 18220 1
326 . 1 1 50 50 TYR H H 1 7.8 0.01 . 1 . . . A 41 TYR H . 18220 1
327 . 1 1 50 50 TYR HA H 1 3.799 0.01 . 1 . . . A 41 TYR HA . 18220 1
328 . 1 1 50 50 TYR HB2 H 1 3.018 0.01 . 2 . . . A 41 TYR HB2 . 18220 1
329 . 1 1 50 50 TYR HB3 H 1 3.018 0.01 . 2 . . . A 41 TYR HB3 . 18220 1
330 . 1 1 50 50 TYR HD1 H 1 7.025 0.01 . 3 . . . A 41 TYR HD1 . 18220 1
331 . 1 1 50 50 TYR HD2 H 1 7.025 0.01 . 3 . . . A 41 TYR HD2 . 18220 1
332 . 1 1 50 50 TYR C C 13 174.208 0.1 . 1 . . . A 41 TYR C . 18220 1
333 . 1 1 50 50 TYR CA C 13 59.245 0.1 . 1 . . . A 41 TYR CA . 18220 1
334 . 1 1 50 50 TYR CB C 13 37.936 0.1 . 1 . . . A 41 TYR CB . 18220 1
335 . 1 1 50 50 TYR N N 15 122.409 0.1 . 1 . . . A 41 TYR N . 18220 1
336 . 1 1 51 51 GLY H H 1 8.199 0.01 . 1 . . . A 42 GLY H . 18220 1
337 . 1 1 51 51 GLY HA2 H 1 3.64 0.01 . 2 . . . A 42 GLY HA2 . 18220 1
338 . 1 1 51 51 GLY HA3 H 1 3.86 0.01 . 2 . . . A 42 GLY HA3 . 18220 1
339 . 1 1 51 51 GLY C C 13 172.642 0.1 . 1 . . . A 42 GLY C . 18220 1
340 . 1 1 51 51 GLY CA C 13 46.265 0.1 . 1 . . . A 42 GLY CA . 18220 1
341 . 1 1 51 51 GLY N N 15 106.935 0.1 . 1 . . . A 42 GLY N . 18220 1
342 . 1 1 52 52 ALA H H 1 7.758 0.01 . 1 . . . A 43 ALA H . 18220 1
343 . 1 1 52 52 ALA HA H 1 4.15 0.01 . 1 . . . A 43 ALA HA . 18220 1
344 . 1 1 52 52 ALA HB1 H 1 1.327 0.01 . 1 . . . A 43 ALA HB1 . 18220 1
345 . 1 1 52 52 ALA HB2 H 1 1.327 0.01 . 1 . . . A 43 ALA HB2 . 18220 1
346 . 1 1 52 52 ALA HB3 H 1 1.327 0.01 . 1 . . . A 43 ALA HB3 . 18220 1
347 . 1 1 52 52 ALA C C 13 176.398 0.1 . 1 . . . A 43 ALA C . 18220 1
348 . 1 1 52 52 ALA CA C 13 52.883 0.1 . 1 . . . A 43 ALA CA . 18220 1
349 . 1 1 52 52 ALA CB C 13 18.241 0.1 . 1 . . . A 43 ALA CB . 18220 1
350 . 1 1 52 52 ALA N N 15 123.018 0.1 . 1 . . . A 43 ALA N . 18220 1
351 . 1 1 53 53 TYR H H 1 7.92 0.01 . 1 . . . A 44 TYR H . 18220 1
352 . 1 1 53 53 TYR HA H 1 4.318 0.01 . 1 . . . A 44 TYR HA . 18220 1
353 . 1 1 53 53 TYR HB2 H 1 3.008 0.01 . 2 . . . A 44 TYR HB2 . 18220 1
354 . 1 1 53 53 TYR HB3 H 1 3.008 0.01 . 2 . . . A 44 TYR HB3 . 18220 1
355 . 1 1 53 53 TYR HD1 H 1 6.988 0.01 . 3 . . . A 44 TYR HD1 . 18220 1
356 . 1 1 53 53 TYR HD2 H 1 6.988 0.01 . 3 . . . A 44 TYR HD2 . 18220 1
357 . 1 1 53 53 TYR C C 13 174.18 0.1 . 1 . . . A 44 TYR C . 18220 1
358 . 1 1 53 53 TYR CA C 13 58.593 0.1 . 1 . . . A 44 TYR CA . 18220 1
359 . 1 1 53 53 TYR CB C 13 38.192 0.1 . 1 . . . A 44 TYR CB . 18220 1
360 . 1 1 53 53 TYR N N 15 119.664 0.1 . 1 . . . A 44 TYR N . 18220 1
361 . 1 1 54 54 ARG H H 1 7.956 0.01 . 1 . . . A 45 ARG H . 18220 1
362 . 1 1 54 54 ARG HA H 1 3.93 0.01 . 1 . . . A 45 ARG HA . 18220 1
363 . 1 1 54 54 ARG HB2 H 1 1.685 0.01 . 2 . . . A 45 ARG HB2 . 18220 1
364 . 1 1 54 54 ARG HB3 H 1 1.685 0.01 . 2 . . . A 45 ARG HB3 . 18220 1
365 . 1 1 54 54 ARG C C 13 174.423 0.1 . 1 . . . A 45 ARG C . 18220 1
366 . 1 1 54 54 ARG CA C 13 56.027 0.1 . 1 . . . A 45 ARG CA . 18220 1
367 . 1 1 54 54 ARG CB C 13 30.173 0.1 . 1 . . . A 45 ARG CB . 18220 1
368 . 1 1 54 54 ARG CG C 13 26.536 0.1 . 1 . . . A 45 ARG CG . 18220 1
369 . 1 1 54 54 ARG N N 15 119.516 0.1 . 1 . . . A 45 ARG N . 18220 1
370 . 1 1 55 55 VAL H H 1 7.489 0.01 . 1 . . . A 46 VAL H . 18220 1
371 . 1 1 55 55 VAL HA H 1 4.06 0.01 . 1 . . . A 46 VAL HA . 18220 1
372 . 1 1 55 55 VAL HB H 1 2.09 0.01 . 1 . . . A 46 VAL HB . 18220 1
373 . 1 1 55 55 VAL HG11 H 1 0.886 0.01 . 2 . . . A 46 VAL HG11 . 18220 1
374 . 1 1 55 55 VAL HG12 H 1 0.886 0.01 . 2 . . . A 46 VAL HG12 . 18220 1
375 . 1 1 55 55 VAL HG13 H 1 0.886 0.01 . 2 . . . A 46 VAL HG13 . 18220 1
376 . 1 1 55 55 VAL HG21 H 1 0.886 0.01 . 2 . . . A 46 VAL HG21 . 18220 1
377 . 1 1 55 55 VAL HG22 H 1 0.886 0.01 . 2 . . . A 46 VAL HG22 . 18220 1
378 . 1 1 55 55 VAL HG23 H 1 0.886 0.01 . 2 . . . A 46 VAL HG23 . 18220 1
379 . 1 1 55 55 VAL C C 13 173.806 0.1 . 1 . . . A 46 VAL C . 18220 1
380 . 1 1 55 55 VAL CA C 13 62.3 0.1 . 1 . . . A 46 VAL CA . 18220 1
381 . 1 1 55 55 VAL CB C 13 31.521 0.1 . 1 . . . A 46 VAL CB . 18220 1
382 . 1 1 55 55 VAL CG1 C 13 19.973 0.1 . 2 . . . A 46 VAL CG1 . 18220 1
383 . 1 1 55 55 VAL CG2 C 13 20.64 0.1 . 2 . . . A 46 VAL CG2 . 18220 1
384 . 1 1 55 55 VAL N N 15 116.437 0.1 . 1 . . . A 46 VAL N . 18220 1
385 . 1 1 56 56 SER H H 1 7.728 0.01 . 1 . . . A 47 SER H . 18220 1
386 . 1 1 56 56 SER HA H 1 4.401 0.01 . 1 . . . A 47 SER HA . 18220 1
387 . 1 1 56 56 SER HB2 H 1 3.848 0.01 . 2 . . . A 47 SER HB2 . 18220 1
388 . 1 1 56 56 SER HB3 H 1 3.848 0.01 . 2 . . . A 47 SER HB3 . 18220 1
389 . 1 1 56 56 SER C C 13 172.074 0.1 . 1 . . . A 47 SER C . 18220 1
390 . 1 1 56 56 SER CA C 13 58.133 0.1 . 1 . . . A 47 SER CA . 18220 1
391 . 1 1 56 56 SER CB C 13 63.468 0.1 . 1 . . . A 47 SER CB . 18220 1
392 . 1 1 56 56 SER N N 15 117.185 0.1 . 1 . . . A 47 SER N . 18220 1
393 . 1 1 57 57 ASN H H 1 8.228 0.01 . 1 . . . A 48 ASN H . 18220 1
394 . 1 1 57 57 ASN HA H 1 4.59 0.01 . 1 . . . A 48 ASN HA . 18220 1
395 . 1 1 57 57 ASN HB2 H 1 2.662 0.01 . 2 . . . A 48 ASN HB2 . 18220 1
396 . 1 1 57 57 ASN HB3 H 1 2.662 0.01 . 2 . . . A 48 ASN HB3 . 18220 1
397 . 1 1 57 57 ASN HD21 H 1 7.414 0.01 . 2 . . . A 48 ASN HD21 . 18220 1
398 . 1 1 57 57 ASN HD22 H 1 6.745 0.01 . 2 . . . A 48 ASN HD22 . 18220 1
399 . 1 1 57 57 ASN CA C 13 53.6 0.1 . 1 . . . A 48 ASN CA . 18220 1
400 . 1 1 57 57 ASN CB C 13 38.641 0.1 . 1 . . . A 48 ASN CB . 18220 1
401 . 1 1 57 57 ASN N N 15 121.049 0.1 . 1 . . . A 48 ASN N . 18220 1
402 . 1 1 57 57 ASN ND2 N 15 113.237 0.1 . 1 . . . A 48 ASN ND2 . 18220 1
403 . 1 1 58 58 ASP H H 1 8.192 0.01 . 1 . . . A 49 ASP H . 18220 1
404 . 1 1 58 58 ASP HA H 1 4.53 0.01 . 1 . . . A 49 ASP HA . 18220 1
405 . 1 1 58 58 ASP HB2 H 1 2.608 0.01 . 2 . . . A 49 ASP HB2 . 18220 1
406 . 1 1 58 58 ASP HB3 H 1 2.608 0.01 . 2 . . . A 49 ASP HB3 . 18220 1
407 . 1 1 58 58 ASP CA C 13 54.202 0.1 . 1 . . . A 49 ASP CA . 18220 1
408 . 1 1 58 58 ASP CB C 13 40.374 0.1 . 1 . . . A 49 ASP CB . 18220 1
409 . 1 1 58 58 ASP N N 15 120.276 0.1 . 1 . . . A 49 ASP N . 18220 1
410 . 1 1 59 59 LYS H H 1 8.003 0.01 . 1 . . . A 50 LYS H . 18220 1
411 . 1 1 59 59 LYS HA H 1 4.2 0.01 . 1 . . . A 50 LYS HA . 18220 1
412 . 1 1 59 59 LYS HB2 H 1 1.772 0.01 . 2 . . . A 50 LYS HB2 . 18220 1
413 . 1 1 59 59 LYS HB3 H 1 1.772 0.01 . 2 . . . A 50 LYS HB3 . 18220 1
414 . 1 1 59 59 LYS HG2 H 1 1.358 0.01 . 2 . . . A 50 LYS HG2 . 18220 1
415 . 1 1 59 59 LYS HG3 H 1 1.358 0.01 . 2 . . . A 50 LYS HG3 . 18220 1
416 . 1 1 59 59 LYS C C 13 173.474 0.1 . 1 . . . A 50 LYS C . 18220 1
417 . 1 1 59 59 LYS CA C 13 56.3 0.1 . 1 . . . A 50 LYS CA . 18220 1
418 . 1 1 59 59 LYS CB C 13 32.034 0.1 . 1 . . . A 50 LYS CB . 18220 1
419 . 1 1 59 59 LYS CG C 13 24.336 0.1 . 1 . . . A 50 LYS CG . 18220 1
420 . 1 1 59 59 LYS CD C 13 28.505 0.1 . 1 . . . A 50 LYS CD . 18220 1
421 . 1 1 59 59 LYS N N 15 120.66 0.1 . 1 . . . A 50 LYS N . 18220 1
422 . 1 1 60 60 ARG H H 1 8.091 0.01 . 1 . . . A 51 ARG H . 18220 1
423 . 1 1 60 60 ARG HA H 1 4.2 0.01 . 1 . . . A 51 ARG HA . 18220 1
424 . 1 1 60 60 ARG HB2 H 1 1.769 0.01 . 2 . . . A 51 ARG HB2 . 18220 1
425 . 1 1 60 60 ARG HB3 H 1 1.769 0.01 . 2 . . . A 51 ARG HB3 . 18220 1
426 . 1 1 60 60 ARG C C 13 173.303 0.1 . 1 . . . A 51 ARG C . 18220 1
427 . 1 1 60 60 ARG CA C 13 56.283 0.1 . 1 . . . A 51 ARG CA . 18220 1
428 . 1 1 60 60 ARG CB C 13 30.238 0.1 . 1 . . . A 51 ARG CB . 18220 1
429 . 1 1 60 60 ARG CG C 13 26.709 0.1 . 1 . . . A 51 ARG CG . 18220 1
430 . 1 1 60 60 ARG CD C 13 43.453 0.1 . 1 . . . A 51 ARG CD . 18220 1
431 . 1 1 60 60 ARG N N 15 121.278 0.1 . 1 . . . A 51 ARG N . 18220 1
432 . 1 1 61 61 ASP H H 1 8.261 0.01 . 1 . . . A 52 ASP H . 18220 1
433 . 1 1 61 61 ASP HA H 1 4.615 0.01 . 1 . . . A 52 ASP HA . 18220 1
434 . 1 1 61 61 ASP HB2 H 1 2.674 0.01 . 2 . . . A 52 ASP HB2 . 18220 1
435 . 1 1 61 61 ASP HB3 H 1 2.674 0.01 . 2 . . . A 52 ASP HB3 . 18220 1
436 . 1 1 61 61 ASP C C 13 173.777 0.1 . 1 . . . A 52 ASP C . 18220 1
437 . 1 1 61 61 ASP CA C 13 53.979 0.1 . 1 . . . A 52 ASP CA . 18220 1
438 . 1 1 61 61 ASP CB C 13 40.245 0.1 . 1 . . . A 52 ASP CB . 18220 1
439 . 1 1 61 61 ASP N N 15 121.185 0.1 . 1 . . . A 52 ASP N . 18220 1
440 . 1 1 62 62 VAL H H 1 7.997 0.01 . 1 . . . A 53 VAL H . 18220 1
441 . 1 1 62 62 VAL HA H 1 3.95 0.01 . 1 . . . A 53 VAL HA . 18220 1
442 . 1 1 62 62 VAL HB H 1 1.796 0.01 . 1 . . . A 53 VAL HB . 18220 1
443 . 1 1 62 62 VAL HG11 H 1 0.921 0.01 . 2 . . . A 53 VAL HG11 . 18220 1
444 . 1 1 62 62 VAL HG12 H 1 0.921 0.01 . 2 . . . A 53 VAL HG12 . 18220 1
445 . 1 1 62 62 VAL HG13 H 1 0.921 0.01 . 2 . . . A 53 VAL HG13 . 18220 1
446 . 1 1 62 62 VAL HG21 H 1 0.921 0.01 . 2 . . . A 53 VAL HG21 . 18220 1
447 . 1 1 62 62 VAL HG22 H 1 0.921 0.01 . 2 . . . A 53 VAL HG22 . 18220 1
448 . 1 1 62 62 VAL HG23 H 1 0.921 0.01 . 2 . . . A 53 VAL HG23 . 18220 1
449 . 1 1 62 62 VAL C C 13 173.279 0.1 . 1 . . . A 53 VAL C . 18220 1
450 . 1 1 62 62 VAL CA C 13 63.176 0.1 . 1 . . . A 53 VAL CA . 18220 1
451 . 1 1 62 62 VAL CB C 13 32.099 0.1 . 1 . . . A 53 VAL CB . 18220 1
452 . 1 1 62 62 VAL CG1 C 13 20.794 0.1 . 2 . . . A 53 VAL CG1 . 18220 1
453 . 1 1 62 62 VAL CG2 C 13 21.11 0.1 . 2 . . . A 53 VAL CG2 . 18220 1
454 . 1 1 62 62 VAL N N 15 121.902 0.1 . 1 . . . A 53 VAL N . 18220 1
455 . 1 1 63 63 LYS H H 1 8.054 0.01 . 1 . . . A 54 LYS H . 18220 1
456 . 1 1 63 63 LYS HA H 1 4.26 0.01 . 1 . . . A 54 LYS HA . 18220 1
457 . 1 1 63 63 LYS HB2 H 1 1.846 0.01 . 2 . . . A 54 LYS HB2 . 18220 1
458 . 1 1 63 63 LYS HB3 H 1 1.846 0.01 . 2 . . . A 54 LYS HB3 . 18220 1
459 . 1 1 63 63 LYS HG2 H 1 1.457 0.01 . 2 . . . A 54 LYS HG2 . 18220 1
460 . 1 1 63 63 LYS HG3 H 1 1.457 0.01 . 2 . . . A 54 LYS HG3 . 18220 1
461 . 1 1 63 63 LYS C C 13 174.481 0.1 . 1 . . . A 54 LYS C . 18220 1
462 . 1 1 63 63 LYS CA C 13 56.347 0.1 . 1 . . . A 54 LYS CA . 18220 1
463 . 1 1 63 63 LYS CB C 13 32.099 0.1 . 1 . . . A 54 LYS CB . 18220 1
464 . 1 1 63 63 LYS CG C 13 24.756 0.1 . 1 . . . A 54 LYS CG . 18220 1
465 . 1 1 63 63 LYS CE C 13 41.444 0.1 . 1 . . . A 54 LYS CE . 18220 1
466 . 1 1 63 63 LYS N N 15 123.522 0.1 . 1 . . . A 54 LYS N . 18220 1
467 . 1 1 64 64 VAL H H 1 8.225 0.01 . 1 . . . A 55 VAL H . 18220 1
468 . 1 1 64 64 VAL HA H 1 3.947 0.01 . 1 . . . A 55 VAL HA . 18220 1
469 . 1 1 64 64 VAL HB H 1 2.081 0.01 . 1 . . . A 55 VAL HB . 18220 1
470 . 1 1 64 64 VAL HG11 H 1 0.93 0.01 . 2 . . . A 55 VAL HG11 . 18220 1
471 . 1 1 64 64 VAL HG12 H 1 0.93 0.01 . 2 . . . A 55 VAL HG12 . 18220 1
472 . 1 1 64 64 VAL HG13 H 1 0.93 0.01 . 2 . . . A 55 VAL HG13 . 18220 1
473 . 1 1 64 64 VAL HG21 H 1 0.93 0.01 . 2 . . . A 55 VAL HG21 . 18220 1
474 . 1 1 64 64 VAL HG22 H 1 0.93 0.01 . 2 . . . A 55 VAL HG22 . 18220 1
475 . 1 1 64 64 VAL HG23 H 1 0.93 0.01 . 2 . . . A 55 VAL HG23 . 18220 1
476 . 1 1 64 64 VAL C C 13 174.955 0.1 . 1 . . . A 55 VAL C . 18220 1
477 . 1 1 64 64 VAL CA C 13 64.6 0.1 . 1 . . . A 55 VAL CA . 18220 1
478 . 1 1 64 64 VAL CB C 13 31.877 0.1 . 1 . . . A 55 VAL CB . 18220 1
479 . 1 1 64 64 VAL CG1 C 13 21.27 0.1 . 2 . . . A 55 VAL CG1 . 18220 1
480 . 1 1 64 64 VAL CG2 C 13 21.938 0.1 . 2 . . . A 55 VAL CG2 . 18220 1
481 . 1 1 64 64 VAL N N 15 120.647 0.1 . 1 . . . A 55 VAL N . 18220 1
482 . 1 1 65 65 SER H H 1 8.26 0.01 . 1 . . . A 56 SER H . 18220 1
483 . 1 1 65 65 SER HA H 1 4.39 0.01 . 1 . . . A 56 SER HA . 18220 1
484 . 1 1 65 65 SER HB2 H 1 3.901 0.01 . 2 . . . A 56 SER HB2 . 18220 1
485 . 1 1 65 65 SER HB3 H 1 3.901 0.01 . 2 . . . A 56 SER HB3 . 18220 1
486 . 1 1 65 65 SER C C 13 172.3 0.1 . 1 . . . A 56 SER C . 18220 1
487 . 1 1 65 65 SER CA C 13 60 0.1 . 1 . . . A 56 SER CA . 18220 1
488 . 1 1 65 65 SER CB C 13 62.879 0.1 . 1 . . . A 56 SER CB . 18220 1
489 . 1 1 65 65 SER N N 15 117.785 0.1 . 1 . . . A 56 SER N . 18220 1
490 . 1 1 66 66 LEU H H 1 8.091 0.01 . 1 . . . A 57 LEU H . 18220 1
491 . 1 1 66 66 LEU HA H 1 4.09 0.01 . 1 . . . A 57 LEU HA . 18220 1
492 . 1 1 66 66 LEU C C 13 175.932 0.1 . 1 . . . A 57 LEU C . 18220 1
493 . 1 1 66 66 LEU CA C 13 57.502 0.1 . 1 . . . A 57 LEU CA . 18220 1
494 . 1 1 66 66 LEU CB C 13 41.721 0.1 . 1 . . . A 57 LEU CB . 18220 1
495 . 1 1 66 66 LEU CG C 13 26.581 0.1 . 1 . . . A 57 LEU CG . 18220 1
496 . 1 1 66 66 LEU CD1 C 13 24.592 0.1 . 2 . . . A 57 LEU CD1 . 18220 1
497 . 1 1 66 66 LEU N N 15 123.318 0.1 . 1 . . . A 57 LEU N . 18220 1
498 . 1 1 67 67 PHE H H 1 8.066 0.01 . 1 . . . A 58 PHE H . 18220 1
499 . 1 1 67 67 PHE HA H 1 4.33 0.01 . 1 . . . A 58 PHE HA . 18220 1
500 . 1 1 67 67 PHE HB2 H 1 3.184 0.01 . 2 . . . A 58 PHE HB2 . 18220 1
501 . 1 1 67 67 PHE HB3 H 1 3.184 0.01 . 2 . . . A 58 PHE HB3 . 18220 1
502 . 1 1 67 67 PHE C C 13 174.912 0.1 . 1 . . . A 58 PHE C . 18220 1
503 . 1 1 67 67 PHE CA C 13 60.6 0.1 . 1 . . . A 58 PHE CA . 18220 1
504 . 1 1 67 67 PHE CB C 13 38.552 0.1 . 1 . . . A 58 PHE CB . 18220 1
505 . 1 1 67 67 PHE N N 15 118.02 0.1 . 1 . . . A 58 PHE N . 18220 1
506 . 1 1 68 68 THR H H 1 8.287 0.01 . 1 . . . A 59 THR H . 18220 1
507 . 1 1 68 68 THR HA H 1 4.31 0.01 . 1 . . . A 59 THR HA . 18220 1
508 . 1 1 68 68 THR HB H 1 3.867 0.01 . 1 . . . A 59 THR HB . 18220 1
509 . 1 1 68 68 THR HG21 H 1 1.277 0.01 . 1 . . . A 59 THR HG21 . 18220 1
510 . 1 1 68 68 THR HG22 H 1 1.277 0.01 . 1 . . . A 59 THR HG22 . 18220 1
511 . 1 1 68 68 THR HG23 H 1 1.277 0.01 . 1 . . . A 59 THR HG23 . 18220 1
512 . 1 1 68 68 THR C C 13 173.38 0.1 . 1 . . . A 59 THR C . 18220 1
513 . 1 1 68 68 THR CA C 13 66.313 0.1 . 1 . . . A 59 THR CA . 18220 1
514 . 1 1 68 68 THR CB C 13 67.7 0.1 . 1 . . . A 59 THR CB . 18220 1
515 . 1 1 68 68 THR CG2 C 13 21.419 0.1 . 1 . . . A 59 THR CG2 . 18220 1
516 . 1 1 68 68 THR N N 15 115.324 0.1 . 1 . . . A 59 THR N . 18220 1
517 . 1 1 69 69 ALA H H 1 7.983 0.01 . 1 . . . A 60 ALA H . 18220 1
518 . 1 1 69 69 ALA HA H 1 4.28 0.01 . 1 . . . A 60 ALA HA . 18220 1
519 . 1 1 69 69 ALA HB1 H 1 1.472 0.01 . 1 . . . A 60 ALA HB1 . 18220 1
520 . 1 1 69 69 ALA HB2 H 1 1.472 0.01 . 1 . . . A 60 ALA HB2 . 18220 1
521 . 1 1 69 69 ALA HB3 H 1 1.472 0.01 . 1 . . . A 60 ALA HB3 . 18220 1
522 . 1 1 69 69 ALA C C 13 176.978 0.1 . 1 . . . A 60 ALA C . 18220 1
523 . 1 1 69 69 ALA CA C 13 55.1 0.1 . 1 . . . A 60 ALA CA . 18220 1
524 . 1 1 69 69 ALA CB C 13 17.728 0.1 . 1 . . . A 60 ALA CB . 18220 1
525 . 1 1 69 69 ALA N N 15 123.621 0.1 . 1 . . . A 60 ALA N . 18220 1
526 . 1 1 70 70 PHE H H 1 8.007 0.01 . 1 . . . A 61 PHE H . 18220 1
527 . 1 1 70 70 PHE HA H 1 4.26 0.01 . 1 . . . A 61 PHE HA . 18220 1
528 . 1 1 70 70 PHE HB2 H 1 3.159 0.01 . 2 . . . A 61 PHE HB2 . 18220 1
529 . 1 1 70 70 PHE HB3 H 1 3.159 0.01 . 2 . . . A 61 PHE HB3 . 18220 1
530 . 1 1 70 70 PHE C C 13 175.369 0.1 . 1 . . . A 61 PHE C . 18220 1
531 . 1 1 70 70 PHE CA C 13 60.179 0.1 . 1 . . . A 61 PHE CA . 18220 1
532 . 1 1 70 70 PHE CB C 13 38.706 0.1 . 1 . . . A 61 PHE CB . 18220 1
533 . 1 1 70 70 PHE N N 15 118.52 0.1 . 1 . . . A 61 PHE N . 18220 1
534 . 1 1 71 71 PHE H H 1 8.546 0.01 . 1 . . . A 62 PHE H . 18220 1
535 . 1 1 71 71 PHE HA H 1 4 0.01 . 1 . . . A 62 PHE HA . 18220 1
536 . 1 1 71 71 PHE HB2 H 1 2.993 0.01 . 2 . . . A 62 PHE HB2 . 18220 1
537 . 1 1 71 71 PHE HB3 H 1 3.126 0.01 . 2 . . . A 62 PHE HB3 . 18220 1
538 . 1 1 71 71 PHE C C 13 174.697 0.1 . 1 . . . A 62 PHE C . 18220 1
539 . 1 1 71 71 PHE CA C 13 60.517 0.1 . 1 . . . A 62 PHE CA . 18220 1
540 . 1 1 71 71 PHE CB C 13 38.77 0.1 . 1 . . . A 62 PHE CB . 18220 1
541 . 1 1 71 71 PHE N N 15 122.314 0.1 . 1 . . . A 62 PHE N . 18220 1
542 . 1 1 72 72 LEU H H 1 8.396 0.01 . 1 . . . A 63 LEU H . 18220 1
543 . 1 1 72 72 LEU HA H 1 3.87 0.01 . 1 . . . A 63 LEU HA . 18220 1
544 . 1 1 72 72 LEU HB2 H 1 1.835 0.01 . 2 . . . A 63 LEU HB2 . 18220 1
545 . 1 1 72 72 LEU HB3 H 1 1.835 0.01 . 2 . . . A 63 LEU HB3 . 18220 1
546 . 1 1 72 72 LEU HG H 1 1.493 0.01 . 1 . . . A 63 LEU HG . 18220 1
547 . 1 1 72 72 LEU HD11 H 1 0.876 0.01 . 2 . . . A 63 LEU HD11 . 18220 1
548 . 1 1 72 72 LEU HD12 H 1 0.876 0.01 . 2 . . . A 63 LEU HD12 . 18220 1
549 . 1 1 72 72 LEU HD13 H 1 0.876 0.01 . 2 . . . A 63 LEU HD13 . 18220 1
550 . 1 1 72 72 LEU HD21 H 1 0.876 0.01 . 2 . . . A 63 LEU HD21 . 18220 1
551 . 1 1 72 72 LEU HD22 H 1 0.876 0.01 . 2 . . . A 63 LEU HD22 . 18220 1
552 . 1 1 72 72 LEU HD23 H 1 0.876 0.01 . 2 . . . A 63 LEU HD23 . 18220 1
553 . 1 1 72 72 LEU C C 13 175.774 0.1 . 1 . . . A 63 LEU C . 18220 1
554 . 1 1 72 72 LEU CA C 13 56.925 0.1 . 1 . . . A 63 LEU CA . 18220 1
555 . 1 1 72 72 LEU CB C 13 41.207 0.1 . 1 . . . A 63 LEU CB . 18220 1
556 . 1 1 72 72 LEU CG C 13 26.709 0.1 . 1 . . . A 63 LEU CG . 18220 1
557 . 1 1 72 72 LEU CD1 C 13 24.913 0.1 . 2 . . . A 63 LEU CD1 . 18220 1
558 . 1 1 72 72 LEU CD2 C 13 23.245 0.1 . 2 . . . A 63 LEU CD2 . 18220 1
559 . 1 1 72 72 LEU N N 15 119.399 0.1 . 1 . . . A 63 LEU N . 18220 1
560 . 1 1 73 73 ALA H H 1 8.025 0.01 . 1 . . . A 64 ALA H . 18220 1
561 . 1 1 73 73 ALA HA H 1 3.96 0.01 . 1 . . . A 64 ALA HA . 18220 1
562 . 1 1 73 73 ALA HB1 H 1 1.381 0.01 . 1 . . . A 64 ALA HB1 . 18220 1
563 . 1 1 73 73 ALA HB2 H 1 1.381 0.01 . 1 . . . A 64 ALA HB2 . 18220 1
564 . 1 1 73 73 ALA HB3 H 1 1.381 0.01 . 1 . . . A 64 ALA HB3 . 18220 1
565 . 1 1 73 73 ALA C C 13 177.267 0.1 . 1 . . . A 64 ALA C . 18220 1
566 . 1 1 73 73 ALA CA C 13 54.6 0.1 . 1 . . . A 64 ALA CA . 18220 1
567 . 1 1 73 73 ALA CB C 13 17.784 0.1 . 1 . . . A 64 ALA CB . 18220 1
568 . 1 1 73 73 ALA N N 15 120.221 0.1 . 1 . . . A 64 ALA N . 18220 1
569 . 1 1 74 74 THR H H 1 7.717 0.01 . 1 . . . A 65 THR H . 18220 1
570 . 1 1 74 74 THR HA H 1 3.98 0.01 . 1 . . . A 65 THR HA . 18220 1
571 . 1 1 74 74 THR HB H 1 3.773 0.01 . 1 . . . A 65 THR HB . 18220 1
572 . 1 1 74 74 THR HG21 H 1 0.96 0.01 . 1 . . . A 65 THR HG21 . 18220 1
573 . 1 1 74 74 THR HG22 H 1 0.96 0.01 . 1 . . . A 65 THR HG22 . 18220 1
574 . 1 1 74 74 THR HG23 H 1 0.96 0.01 . 1 . . . A 65 THR HG23 . 18220 1
575 . 1 1 74 74 THR CA C 13 66.291 0.1 . 1 . . . A 65 THR CA . 18220 1
576 . 1 1 74 74 THR CB C 13 67.914 0.1 . 1 . . . A 65 THR CB . 18220 1
577 . 1 1 74 74 THR CG2 C 13 21.085 0.1 . 1 . . . A 65 THR CG2 . 18220 1
578 . 1 1 74 74 THR N N 15 113.648 0.1 . 1 . . . A 65 THR N . 18220 1
579 . 1 1 75 75 ILE H H 1 7.738 0.01 . 1 . . . A 66 ILE H . 18220 1
580 . 1 1 75 75 ILE HA H 1 3.74 0.01 . 1 . . . A 66 ILE HA . 18220 1
581 . 1 1 75 75 ILE HB H 1 1.754 0.01 . 1 . . . A 66 ILE HB . 18220 1
582 . 1 1 75 75 ILE HD11 H 1 0.715 0.01 . 1 . . . A 66 ILE HD11 . 18220 1
583 . 1 1 75 75 ILE HD12 H 1 0.715 0.01 . 1 . . . A 66 ILE HD12 . 18220 1
584 . 1 1 75 75 ILE HD13 H 1 0.715 0.01 . 1 . . . A 66 ILE HD13 . 18220 1
585 . 1 1 75 75 ILE C C 13 174.951 0.1 . 1 . . . A 66 ILE C . 18220 1
586 . 1 1 75 75 ILE CA C 13 64.88 0.1 . 1 . . . A 66 ILE CA . 18220 1
587 . 1 1 75 75 ILE CB C 13 37.166 0.1 . 1 . . . A 66 ILE CB . 18220 1
588 . 1 1 75 75 ILE CG1 C 13 27.736 0.1 . 1 . . . A 66 ILE CG1 . 18220 1
589 . 1 1 75 75 ILE CG2 C 13 17.407 0.1 . 1 . . . A 66 ILE CG2 . 18220 1
590 . 1 1 75 75 ILE N N 15 120.291 0.1 . 1 . . . A 66 ILE N . 18220 1
591 . 1 1 76 76 MET H H 1 7.823 0.01 . 1 . . . A 67 MET H . 18220 1
592 . 1 1 76 76 MET HA H 1 4.22 0.01 . 1 . . . A 67 MET HA . 18220 1
593 . 1 1 76 76 MET HB2 H 1 2.038 0.01 . 2 . . . A 67 MET HB2 . 18220 1
594 . 1 1 76 76 MET HB3 H 1 2.038 0.01 . 2 . . . A 67 MET HB3 . 18220 1
595 . 1 1 76 76 MET C C 13 175.142 0.1 . 1 . . . A 67 MET C . 18220 1
596 . 1 1 76 76 MET CA C 13 56.723 0.1 . 1 . . . A 67 MET CA . 18220 1
597 . 1 1 76 76 MET CB C 13 31.951 0.1 . 1 . . . A 67 MET CB . 18220 1
598 . 1 1 76 76 MET CG C 13 31.283 0.1 . 1 . . . A 67 MET CG . 18220 1
599 . 1 1 76 76 MET CE C 13 17.1 0.1 . 1 . . . A 67 MET CE . 18220 1
600 . 1 1 76 76 MET N N 15 117.618 0.1 . 1 . . . A 67 MET N . 18220 1
601 . 1 1 77 77 GLY H H 1 7.937 0.01 . 1 . . . A 68 GLY H . 18220 1
602 . 1 1 77 77 GLY HA2 H 1 3.78 0.01 . 2 . . . A 68 GLY HA2 . 18220 1
603 . 1 1 77 77 GLY HA3 H 1 3.93 0.01 . 2 . . . A 68 GLY HA3 . 18220 1
604 . 1 1 77 77 GLY C C 13 172.26 0.1 . 1 . . . A 68 GLY C . 18220 1
605 . 1 1 77 77 GLY CA C 13 45.8 0.1 . 1 . . . A 68 GLY CA . 18220 1
606 . 1 1 77 77 GLY N N 15 107.11 0.1 . 1 . . . A 68 GLY N . 18220 1
607 . 1 1 78 78 VAL H H 1 7.697 0.01 . 1 . . . A 69 VAL H . 18220 1
608 . 1 1 78 78 VAL HA H 1 4.22 0.01 . 1 . . . A 69 VAL HA . 18220 1
609 . 1 1 78 78 VAL HB H 1 2.077 0.01 . 1 . . . A 69 VAL HB . 18220 1
610 . 1 1 78 78 VAL HG11 H 1 0.96 0.01 . 2 . . . A 69 VAL HG11 . 18220 1
611 . 1 1 78 78 VAL HG12 H 1 0.96 0.01 . 2 . . . A 69 VAL HG12 . 18220 1
612 . 1 1 78 78 VAL HG13 H 1 0.96 0.01 . 2 . . . A 69 VAL HG13 . 18220 1
613 . 1 1 78 78 VAL HG21 H 1 0.96 0.01 . 2 . . . A 69 VAL HG21 . 18220 1
614 . 1 1 78 78 VAL HG22 H 1 0.96 0.01 . 2 . . . A 69 VAL HG22 . 18220 1
615 . 1 1 78 78 VAL HG23 H 1 0.96 0.01 . 2 . . . A 69 VAL HG23 . 18220 1
616 . 1 1 78 78 VAL CA C 13 63.9 0.1 . 1 . . . A 69 VAL CA . 18220 1
617 . 1 1 78 78 VAL CB C 13 31.506 0.1 . 1 . . . A 69 VAL CB . 18220 1
618 . 1 1 78 78 VAL CG1 C 13 21.641 0.1 . 2 . . . A 69 VAL CG1 . 18220 1
619 . 1 1 78 78 VAL CG2 C 13 21.641 0.1 . 2 . . . A 69 VAL CG2 . 18220 1
620 . 1 1 78 78 VAL N N 15 120.431 0.1 . 1 . . . A 69 VAL N . 18220 1
621 . 1 1 79 79 ARG H H 1 7.889 0.01 . 1 . . . A 70 ARG H . 18220 1
622 . 1 1 79 79 ARG HA H 1 3.81 0.01 . 1 . . . A 70 ARG HA . 18220 1
623 . 1 1 79 79 ARG HB2 H 1 1.729 0.01 . 2 . . . A 70 ARG HB2 . 18220 1
624 . 1 1 79 79 ARG HB3 H 1 1.729 0.01 . 2 . . . A 70 ARG HB3 . 18220 1
625 . 1 1 79 79 ARG CA C 13 56.4 0.1 . 1 . . . A 70 ARG CA . 18220 1
626 . 1 1 79 79 ARG CB C 13 30.097 0.1 . 1 . . . A 70 ARG CB . 18220 1
627 . 1 1 79 79 ARG CG C 13 26.685 0.1 . 1 . . . A 70 ARG CG . 18220 1
628 . 1 1 79 79 ARG CD C 13 42.889 0.1 . 1 . . . A 70 ARG CD . 18220 1
629 . 1 1 79 79 ARG N N 15 121.42 0.1 . 1 . . . A 70 ARG N . 18220 1
630 . 1 1 80 80 PHE H H 1 8.101 0.01 . 1 . . . A 71 PHE H . 18220 1
631 . 1 1 80 80 PHE HA H 1 4.51 0.01 . 1 . . . A 71 PHE HA . 18220 1
632 . 1 1 80 80 PHE HB2 H 1 2.977 0.01 . 2 . . . A 71 PHE HB2 . 18220 1
633 . 1 1 80 80 PHE HB3 H 1 3.141 0.01 . 2 . . . A 71 PHE HB3 . 18220 1
634 . 1 1 80 80 PHE CA C 13 58.6 0.1 . 1 . . . A 71 PHE CA . 18220 1
635 . 1 1 80 80 PHE CB C 13 39.145 0.1 . 1 . . . A 71 PHE CB . 18220 1
636 . 1 1 80 80 PHE N N 15 119.949 0.1 . 1 . . . A 71 PHE N . 18220 1
637 . 1 1 81 81 LYS H H 1 8.09 0.01 . 1 . . . A 72 LYS H . 18220 1
638 . 1 1 81 81 LYS CA C 13 56.8 0.1 . 1 . . . A 72 LYS CA . 18220 1
639 . 1 1 81 81 LYS CB C 13 32.322 0.1 . 1 . . . A 72 LYS CB . 18220 1
640 . 1 1 81 81 LYS CG C 13 24.386 0.1 . 1 . . . A 72 LYS CG . 18220 1
641 . 1 1 81 81 LYS N N 15 122.193 0.1 . 1 . . . A 72 LYS N . 18220 1
642 . 1 1 82 82 ARG H H 1 8.052 0.01 . 1 . . . A 73 ARG H . 18220 1
643 . 1 1 82 82 ARG CA C 13 56.089 0.1 . 1 . . . A 73 ARG CA . 18220 1
644 . 1 1 82 82 ARG CB C 13 30.171 0.1 . 1 . . . A 73 ARG CB . 18220 1
645 . 1 1 82 82 ARG N N 15 119.65 0.1 . 1 . . . A 73 ARG N . 18220 1
646 . 1 1 83 83 SER H H 1 7.912 0.01 . 1 . . . A 74 SER H . 18220 1
647 . 1 1 83 83 SER CA C 13 58.355 0.1 . 1 . . . A 74 SER CA . 18220 1
648 . 1 1 83 83 SER CB C 13 63.404 0.1 . 1 . . . A 74 SER CB . 18220 1
649 . 1 1 83 83 SER N N 15 115.734 0.1 . 1 . . . A 74 SER N . 18220 1
650 . 1 1 84 84 LYS H H 1 8.067 0.01 . 1 . . . A 75 LYS H . 18220 1
651 . 1 1 84 84 LYS CA C 13 56.135 0.1 . 1 . . . A 75 LYS CA . 18220 1
652 . 1 1 84 84 LYS CB C 13 32.175 0.1 . 1 . . . A 75 LYS CB . 18220 1
653 . 1 1 84 84 LYS N N 15 122.37 0.1 . 1 . . . A 75 LYS N . 18220 1
654 . 1 1 86 86 ILE H H 1 7.837 0.01 . 1 . . . A 77 ILE H . 18220 1
655 . 1 1 86 86 ILE HA H 1 3.81 0.01 . 1 . . . A 77 ILE HA . 18220 1
656 . 1 1 86 86 ILE HB H 1 2.097 0.01 . 1 . . . A 77 ILE HB . 18220 1
657 . 1 1 86 86 ILE HG21 H 1 1.014 0.01 . 1 . . . A 77 ILE HG21 . 18220 1
658 . 1 1 86 86 ILE HG22 H 1 1.014 0.01 . 1 . . . A 77 ILE HG22 . 18220 1
659 . 1 1 86 86 ILE HG23 H 1 1.014 0.01 . 1 . . . A 77 ILE HG23 . 18220 1
660 . 1 1 86 86 ILE CA C 13 64.9 0.1 . 1 . . . A 77 ILE CA . 18220 1
661 . 1 1 86 86 ILE CB C 13 39.145 0.1 . 1 . . . A 77 ILE CB . 18220 1
662 . 1 1 86 86 ILE N N 15 119.592 0.1 . 1 . . . A 77 ILE N . 18220 1
663 . 1 1 87 87 MET H H 1 7.95 0.01 . 1 . . . A 78 MET H . 18220 1
664 . 1 1 87 87 MET CA C 13 52.982 0.1 . 1 . . . A 78 MET CA . 18220 1
665 . 1 1 87 87 MET CB C 13 32.173 0.1 . 1 . . . A 78 MET CB . 18220 1
666 . 1 1 87 87 MET N N 15 121.645 0.1 . 1 . . . A 78 MET N . 18220 1
667 . 1 1 88 88 PRO HA H 1 4.14 0.01 . 1 . . . A 79 PRO HA . 18220 1
668 . 1 1 88 88 PRO C C 13 173.921 0.1 . 1 . . . A 79 PRO C . 18220 1
669 . 1 1 88 88 PRO CA C 13 62.8 0.1 . 1 . . . A 79 PRO CA . 18220 1
670 . 1 1 88 88 PRO CB C 13 31.136 0.1 . 1 . . . A 79 PRO CB . 18220 1
671 . 1 1 88 88 PRO CG C 13 27.236 0.1 . 1 . . . A 79 PRO CG . 18220 1
672 . 1 1 89 89 ALA H H 1 8.32 0.01 . 1 . . . A 80 ALA H . 18220 1
673 . 1 1 89 89 ALA HA H 1 4.4 0.01 . 1 . . . A 80 ALA HA . 18220 1
674 . 1 1 89 89 ALA C C 13 176.234 0.1 . 1 . . . A 80 ALA C . 18220 1
675 . 1 1 89 89 ALA CA C 13 53.3 0.1 . 1 . . . A 80 ALA CA . 18220 1
676 . 1 1 89 89 ALA CB C 13 18.498 0.1 . 1 . . . A 80 ALA CB . 18220 1
677 . 1 1 89 89 ALA N N 15 124.431 0.1 . 1 . . . A 80 ALA N . 18220 1
678 . 1 1 90 90 GLY H H 1 8.458 0.01 . 1 . . . A 81 GLY H . 18220 1
679 . 1 1 90 90 GLY HA2 H 1 3.88 0.01 . 2 . . . A 81 GLY HA2 . 18220 1
680 . 1 1 90 90 GLY HA3 H 1 3.96 0.01 . 2 . . . A 81 GLY HA3 . 18220 1
681 . 1 1 90 90 GLY C C 13 172.398 0.1 . 1 . . . A 81 GLY C . 18220 1
682 . 1 1 90 90 GLY CA C 13 45.6 0.1 . 1 . . . A 81 GLY CA . 18220 1
683 . 1 1 90 90 GLY N N 15 106.834 0.1 . 1 . . . A 81 GLY N . 18220 1
684 . 1 1 91 91 LEU H H 1 7.687 0.01 . 1 . . . A 82 LEU H . 18220 1
685 . 1 1 91 91 LEU HA H 1 4.2 0.01 . 1 . . . A 82 LEU HA . 18220 1
686 . 1 1 91 91 LEU C C 13 174.783 0.1 . 1 . . . A 82 LEU C . 18220 1
687 . 1 1 91 91 LEU CA C 13 56.3 0.1 . 1 . . . A 82 LEU CA . 18220 1
688 . 1 1 91 91 LEU CB C 13 42.106 0.1 . 1 . . . A 82 LEU CB . 18220 1
689 . 1 1 91 91 LEU CD1 C 13 24.079 0.1 . 2 . . . A 82 LEU CD1 . 18220 1
690 . 1 1 91 91 LEU CD2 C 13 20.743 0.1 . 2 . . . A 82 LEU CD2 . 18220 1
691 . 1 1 91 91 LEU N N 15 121.043 0.1 . 1 . . . A 82 LEU N . 18220 1
692 . 1 1 92 92 VAL H H 1 7.602 0.01 . 1 . . . A 83 VAL H . 18220 1
693 . 1 1 92 92 VAL HA H 1 3.98 0.01 . 1 . . . A 83 VAL HA . 18220 1
694 . 1 1 92 92 VAL C C 13 173.634 0.1 . 1 . . . A 83 VAL C . 18220 1
695 . 1 1 92 92 VAL CA C 13 62.4 0.1 . 1 . . . A 83 VAL CA . 18220 1
696 . 1 1 92 92 VAL CB C 13 31.585 0.1 . 1 . . . A 83 VAL CB . 18220 1
697 . 1 1 92 92 VAL CG1 C 13 21.192 0.1 . 2 . . . A 83 VAL CG1 . 18220 1
698 . 1 1 92 92 VAL CG2 C 13 20.23 0.1 . 2 . . . A 83 VAL CG2 . 18220 1
699 . 1 1 92 92 VAL N N 15 114.737 0.1 . 1 . . . A 83 VAL N . 18220 1
700 . 1 1 93 93 ALA H H 1 7.891 0.01 . 1 . . . A 84 ALA H . 18220 1
701 . 1 1 93 93 ALA HA H 1 4.15 0.01 . 1 . . . A 84 ALA HA . 18220 1
702 . 1 1 93 93 ALA C C 13 175.746 0.1 . 1 . . . A 84 ALA C . 18220 1
703 . 1 1 93 93 ALA CA C 13 53.3 0.1 . 1 . . . A 84 ALA CA . 18220 1
704 . 1 1 93 93 ALA CB C 13 18.241 0.1 . 1 . . . A 84 ALA CB . 18220 1
705 . 1 1 93 93 ALA N N 15 124.32 0.1 . 1 . . . A 84 ALA N . 18220 1
706 . 1 1 94 94 GLY H H 1 8.204 0.01 . 1 . . . A 85 GLY H . 18220 1
707 . 1 1 94 94 GLY HA2 H 1 3.84 0.01 . 2 . . . A 85 GLY HA2 . 18220 1
708 . 1 1 94 94 GLY HA3 H 1 3.88 0.01 . 2 . . . A 85 GLY HA3 . 18220 1
709 . 1 1 94 94 GLY C C 13 171.752 0.1 . 1 . . . A 85 GLY C . 18220 1
710 . 1 1 94 94 GLY CA C 13 45.249 0.1 . 1 . . . A 85 GLY CA . 18220 1
711 . 1 1 94 94 GLY N N 15 106.807 0.1 . 1 . . . A 85 GLY N . 18220 1
712 . 1 1 95 95 LEU H H 1 7.718 0.01 . 1 . . . A 86 LEU H . 18220 1
713 . 1 1 95 95 LEU HA H 1 4.38 0.01 . 1 . . . A 86 LEU HA . 18220 1
714 . 1 1 95 95 LEU C C 13 173.702 0.1 . 1 . . . A 86 LEU C . 18220 1
715 . 1 1 95 95 LEU CA C 13 55 0.1 . 1 . . . A 86 LEU CA . 18220 1
716 . 1 1 95 95 LEU CB C 13 42.298 0.1 . 1 . . . A 86 LEU CB . 18220 1
717 . 1 1 95 95 LEU CG C 13 26.453 0.1 . 1 . . . A 86 LEU CG . 18220 1
718 . 1 1 95 95 LEU N N 15 121.266 0.1 . 1 . . . A 86 LEU N . 18220 1
719 . 1 1 96 96 SER H H 1 7.659 0.01 . 1 . . . A 87 SER H . 18220 1
720 . 1 1 96 96 SER HA H 1 4.37 0.01 . 1 . . . A 87 SER HA . 18220 1
721 . 1 1 96 96 SER C C 13 172.479 0.1 . 1 . . . A 87 SER C . 18220 1
722 . 1 1 96 96 SER CA C 13 57.2 0.1 . 1 . . . A 87 SER CA . 18220 1
723 . 1 1 96 96 SER CB C 13 64.174 0.1 . 1 . . . A 87 SER CB . 18220 1
724 . 1 1 96 96 SER N N 15 115.658 0.1 . 1 . . . A 87 SER N . 18220 1
725 . 1 1 97 97 LEU H H 1 8.733 0.01 . 1 . . . A 88 LEU H . 18220 1
726 . 1 1 97 97 LEU HA H 1 4.6 0.01 . 1 . . . A 88 LEU HA . 18220 1
727 . 1 1 97 97 LEU C C 13 175.932 0.1 . 1 . . . A 88 LEU C . 18220 1
728 . 1 1 97 97 LEU CA C 13 57.6 0.1 . 1 . . . A 88 LEU CA . 18220 1
729 . 1 1 97 97 LEU CB C 13 41.4 0.1 . 1 . . . A 88 LEU CB . 18220 1
730 . 1 1 97 97 LEU CG C 13 26.902 0.1 . 1 . . . A 88 LEU CG . 18220 1
731 . 1 1 97 97 LEU N N 15 123.72 0.1 . 1 . . . A 88 LEU N . 18220 1
732 . 1 1 98 98 MET H H 1 8.342 0.01 . 1 . . . A 89 MET H . 18220 1
733 . 1 1 98 98 MET HA H 1 4.28 0.01 . 1 . . . A 89 MET HA . 18220 1
734 . 1 1 98 98 MET C C 13 175.789 0.1 . 1 . . . A 89 MET C . 18220 1
735 . 1 1 98 98 MET CA C 13 56.915 0.1 . 1 . . . A 89 MET CA . 18220 1
736 . 1 1 98 98 MET CB C 13 31.007 0.1 . 1 . . . A 89 MET CB . 18220 1
737 . 1 1 98 98 MET CG C 13 31.905 0.1 . 1 . . . A 89 MET CG . 18220 1
738 . 1 1 98 98 MET N N 15 116.684 0.1 . 1 . . . A 89 MET N . 18220 1
739 . 1 1 99 99 MET H H 1 7.72 0.01 . 1 . . . A 90 MET H . 18220 1
740 . 1 1 99 99 MET HA H 1 4.11 0.01 . 1 . . . A 90 MET HA . 18220 1
741 . 1 1 99 99 MET C C 13 175.588 0.1 . 1 . . . A 90 MET C . 18220 1
742 . 1 1 99 99 MET CA C 13 57.951 0.1 . 1 . . . A 90 MET CA . 18220 1
743 . 1 1 99 99 MET CB C 13 32.226 0.1 . 1 . . . A 90 MET CB . 18220 1
744 . 1 1 99 99 MET CG C 13 31.521 0.1 . 1 . . . A 90 MET CG . 18220 1
745 . 1 1 99 99 MET N N 15 119.182 0.1 . 1 . . . A 90 MET N . 18220 1
746 . 1 1 100 100 ILE H H 1 7.662 0.01 . 1 . . . A 91 ILE H . 18220 1
747 . 1 1 100 100 ILE HA H 1 4.11 0.01 . 1 . . . A 91 ILE HA . 18220 1
748 . 1 1 100 100 ILE C C 13 174.634 0.1 . 1 . . . A 91 ILE C . 18220 1
749 . 1 1 100 100 ILE CA C 13 64.1 0.1 . 1 . . . A 91 ILE CA . 18220 1
750 . 1 1 100 100 ILE CB C 13 37.143 0.1 . 1 . . . A 91 ILE CB . 18220 1
751 . 1 1 100 100 ILE CG1 C 13 28.391 0.1 . 1 . . . A 91 ILE CG1 . 18220 1
752 . 1 1 100 100 ILE CD1 C 13 12.963 0.1 . 1 . . . A 91 ILE CD1 . 18220 1
753 . 1 1 100 100 ILE N N 15 119.077 0.1 . 1 . . . A 91 ILE N . 18220 1
754 . 1 1 101 101 LEU H H 1 8.142 0.01 . 1 . . . A 92 LEU H . 18220 1
755 . 1 1 101 101 LEU HA H 1 4.53 0.01 . 1 . . . A 92 LEU HA . 18220 1
756 . 1 1 101 101 LEU C C 13 175.43 0.1 . 1 . . . A 92 LEU C . 18220 1
757 . 1 1 101 101 LEU CA C 13 57.8 0.1 . 1 . . . A 92 LEU CA . 18220 1
758 . 1 1 101 101 LEU CB C 13 40.758 0.1 . 1 . . . A 92 LEU CB . 18220 1
759 . 1 1 101 101 LEU CG C 13 26.517 0.1 . 1 . . . A 92 LEU CG . 18220 1
760 . 1 1 101 101 LEU CD1 C 13 24.079 0.1 . 2 . . . A 92 LEU CD1 . 18220 1
761 . 1 1 101 101 LEU CD2 C 13 23.63 0.1 . 2 . . . A 92 LEU CD2 . 18220 1
762 . 1 1 101 101 LEU N N 15 119.646 0.1 . 1 . . . A 92 LEU N . 18220 1
763 . 1 1 102 102 ARG H H 1 7.893 0.01 . 1 . . . A 93 ARG H . 18220 1
764 . 1 1 102 102 ARG HA H 1 4.14 0.01 . 1 . . . A 93 ARG HA . 18220 1
765 . 1 1 102 102 ARG C C 13 175.961 0.1 . 1 . . . A 93 ARG C . 18220 1
766 . 1 1 102 102 ARG CA C 13 59.1 0.1 . 1 . . . A 93 ARG CA . 18220 1
767 . 1 1 102 102 ARG CB C 13 29.404 0.1 . 1 . . . A 93 ARG CB . 18220 1
768 . 1 1 102 102 ARG CG C 13 28.056 0.1 . 1 . . . A 93 ARG CG . 18220 1
769 . 1 1 102 102 ARG N N 15 116.394 0.1 . 1 . . . A 93 ARG N . 18220 1
770 . 1 1 103 103 LEU H H 1 7.622 0.01 . 1 . . . A 94 LEU H . 18220 1
771 . 1 1 103 103 LEU HA H 1 4.11 0.01 . 1 . . . A 94 LEU HA . 18220 1
772 . 1 1 103 103 LEU C C 13 175.889 0.1 . 1 . . . A 94 LEU C . 18220 1
773 . 1 1 103 103 LEU CA C 13 57.3 0.1 . 1 . . . A 94 LEU CA . 18220 1
774 . 1 1 103 103 LEU CB C 13 41.296 0.1 . 1 . . . A 94 LEU CB . 18220 1
775 . 1 1 103 103 LEU CG C 13 26.611 0.1 . 1 . . . A 94 LEU CG . 18220 1
776 . 1 1 103 103 LEU N N 15 119.114 0.1 . 1 . . . A 94 LEU N . 18220 1
777 . 1 1 104 104 VAL H H 1 8.026 0.01 . 1 . . . A 95 VAL H . 18220 1
778 . 1 1 104 104 VAL HA H 1 3.53 0.01 . 1 . . . A 95 VAL HA . 18220 1
779 . 1 1 104 104 VAL C C 13 175.042 0.1 . 1 . . . A 95 VAL C . 18220 1
780 . 1 1 104 104 VAL CA C 13 66.419 0.1 . 1 . . . A 95 VAL CA . 18220 1
781 . 1 1 104 104 VAL CB C 13 31.357 0.1 . 1 . . . A 95 VAL CB . 18220 1
782 . 1 1 104 104 VAL CG1 C 13 22.383 0.1 . 2 . . . A 95 VAL CG1 . 18220 1
783 . 1 1 104 104 VAL CG2 C 13 21.345 0.1 . 2 . . . A 95 VAL CG2 . 18220 1
784 . 1 1 104 104 VAL N N 15 117.704 0.1 . 1 . . . A 95 VAL N . 18220 1
785 . 1 1 105 105 LEU H H 1 7.893 0.01 . 1 . . . A 96 LEU H . 18220 1
786 . 1 1 105 105 LEU HA H 1 3.98 0.01 . 1 . . . A 96 LEU HA . 18220 1
787 . 1 1 105 105 LEU C C 13 176.579 0.1 . 1 . . . A 96 LEU C . 18220 1
788 . 1 1 105 105 LEU CA C 13 56.8 0.1 . 1 . . . A 96 LEU CA . 18220 1
789 . 1 1 105 105 LEU CB C 13 40.951 0.1 . 1 . . . A 96 LEU CB . 18220 1
790 . 1 1 105 105 LEU CG C 13 26.453 0.1 . 1 . . . A 96 LEU CG . 18220 1
791 . 1 1 105 105 LEU CD1 C 13 25.362 0.1 . 2 . . . A 96 LEU CD1 . 18220 1
792 . 1 1 105 105 LEU CD2 C 13 22.539 0.1 . 2 . . . A 96 LEU CD2 . 18220 1
793 . 1 1 105 105 LEU N N 15 117.185 0.1 . 1 . . . A 96 LEU N . 18220 1
794 . 1 1 106 106 LEU H H 1 7.545 0.01 . 1 . . . A 97 LEU H . 18220 1
795 . 1 1 106 106 LEU HA H 1 4.18 0.01 . 1 . . . A 97 LEU HA . 18220 1
796 . 1 1 106 106 LEU C C 13 175.802 0.1 . 1 . . . A 97 LEU C . 18220 1
797 . 1 1 106 106 LEU CA C 13 56.3 0.1 . 1 . . . A 97 LEU CA . 18220 1
798 . 1 1 106 106 LEU CB C 13 41.592 0.1 . 1 . . . A 97 LEU CB . 18220 1
799 . 1 1 106 106 LEU CG C 13 26.517 0.1 . 1 . . . A 97 LEU CG . 18220 1
800 . 1 1 106 106 LEU CD1 C 13 25.49 0.1 . 2 . . . A 97 LEU CD1 . 18220 1
801 . 1 1 106 106 LEU CD2 C 13 22.603 0.1 . 2 . . . A 97 LEU CD2 . 18220 1
802 . 1 1 106 106 LEU N N 15 118.471 0.1 . 1 . . . A 97 LEU N . 18220 1
803 . 1 1 107 107 LEU H H 1 7.688 0.01 . 1 . . . A 98 LEU H . 18220 1
804 . 1 1 107 107 LEU HA H 1 4.23 0.01 . 1 . . . A 98 LEU HA . 18220 1
805 . 1 1 107 107 LEU C C 13 174.174 0.1 . 1 . . . A 98 LEU C . 18220 1
806 . 1 1 107 107 LEU CA C 13 56.283 0.1 . 1 . . . A 98 LEU CA . 18220 1
807 . 1 1 107 107 LEU CB C 13 42.362 0.1 . 1 . . . A 98 LEU CB . 18220 1
808 . 1 1 107 107 LEU CG C 13 26.26 0.1 . 1 . . . A 98 LEU CG . 18220 1
809 . 1 1 107 107 LEU CD1 C 13 20.037 0.1 . 2 . . . A 98 LEU CD1 . 18220 1
810 . 1 1 107 107 LEU CD2 C 13 21.449 0.1 . 2 . . . A 98 LEU CD2 . 18220 1
811 . 1 1 107 107 LEU N N 15 118.162 0.1 . 1 . . . A 98 LEU N . 18220 1
812 . 1 1 108 108 LEU H H 1 7.287 0.01 . 1 . . . A 99 LEU H . 18220 1
813 . 1 1 108 108 LEU HA H 1 4.23 0.01 . 1 . . . A 99 LEU HA . 18220 1
814 . 1 1 108 108 LEU CA C 13 54.985 0.1 . 1 . . . A 99 LEU CA . 18220 1
815 . 1 1 108 108 LEU CB C 13 42.038 0.1 . 1 . . . A 99 LEU CB . 18220 1
816 . 1 1 108 108 LEU CG C 13 26.166 0.1 . 1 . . . A 99 LEU CG . 18220 1
817 . 1 1 108 108 LEU CD1 C 13 23.437 0.1 . 2 . . . A 99 LEU CD1 . 18220 1
818 . 1 1 108 108 LEU CD2 C 13 22.668 0.1 . 2 . . . A 99 LEU CD2 . 18220 1
819 . 1 1 108 108 LEU N N 15 120.511 0.1 . 1 . . . A 99 LEU N . 18220 1
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