data_16824
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16824
_Entry.Title
;
Solution Structure of the GTPase Binding Domain of WASP in Complex with EspFU, an EHEC Effector
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-04-01
_Entry.Accession_date 2010-04-01
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.8.116
_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 Hui-Chun Cheng . . . 16824
2 Brian Skehan . M. . 16824
3 Kenneth Campellone . G. . 16824
4 John Leong . M. . 16824
5 Michael Rosen . K. . 16824
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
. 'not applicable' 'not applicable' . 16824
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
autoinhibition . 16824
EspFU . 16824
GBD . 16824
WASP . 16824
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 16824
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 444 16824
'15N chemical shifts' 111 16824
'1H chemical shifts' 728 16824
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 . . 2010-06-03 2010-04-01 update BMRB 'edit assembly name' 16824
1 . . 2010-05-05 2010-04-01 original author 'original release' 16824
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2K42 'BMRB Entry Tracking System' 16824
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 16824
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 18650809
_Citation.Full_citation .
_Citation.Title 'Structural Mechanism of WASP Activation by the Enterohaemorrhagic E. coli Effector EspFU'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev Nature
_Citation.Journal_name_full .
_Citation.Journal_volume 454
_Citation.Journal_issue 7207
_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 1009
_Citation.Page_last 1013
_Citation.Year 2008
_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 Hui-Chun Cheng . . . 16824 1
2 Brian Skehan . M. . 16824 1
3 Kenneth Campellone . G. . 16824 1
4 John Leong . M. . 16824 1
5 Michael Rosen . K. . 16824 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 16824
_Assembly.ID 1
_Assembly.Name 'WASP/EspFU complex'
_Assembly.BMRB_code .
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds no
_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 GBD 1 $GBD A . yes native no no . . . 16824 1
2 R33 2 $R33 B . yes native no no . . . 16824 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_GBD
_Entity.Sf_category entity
_Entity.Sf_framecode GBD
_Entity.Entry_ID 16824
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name GBD
_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
;
GHMSGFKHVSHVGWDPQNGF
DVNNLDPDLRSLFSRAGISE
AQLTDAETSKLIYDFIEDQG
GLEAVRQEMRRQ
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 72
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 8128.980
_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 PDB 1EJ5 . "Solution Structure Of The Autoinhibited Conformation Of Wasp" . . . . . 95.83 107 100.00 100.00 2.12e-42 . . . . 16824 1
2 no PDB 1T84 . "Solution Structure Of The Wiskott-Aldrich Syndrome Protein (Wasp) Autoinhibited Core Domain Complexed With (S)- Wiskostatin, A " . . . . . 95.83 107 100.00 100.00 2.12e-42 . . . . 16824 1
3 no PDB 2K42 . "Solution Structure Of The Gtpase Binding Domain Of Wasp In Complex With Espfu, An Ehec Effector" . . . . . 100.00 72 100.00 100.00 4.30e-45 . . . . 16824 1
4 no DBJ BAJ20379 . "Wiskott-Aldrich syndrome [synthetic construct]" . . . . . 100.00 502 97.22 97.22 8.32e-41 . . . . 16824 1
5 no GB AAA62663 . "Wiskott-Aldrich syndrome protein [Homo sapiens]" . . . . . 100.00 502 97.22 97.22 8.32e-41 . . . . 16824 1
6 no GB AAA85515 . "Wiscott-Aldrich Syndrome protein homolog [Mus musculus]" . . . . . 100.00 520 97.22 97.22 1.21e-40 . . . . 16824 1
7 no GB AAC50140 . "WAS [Homo sapiens]" . . . . . 100.00 502 97.22 97.22 8.32e-41 . . . . 16824 1
8 no GB AAC52556 . "Wiskott-Aldrich Syndrome Protein [Mus musculus]" . . . . . 100.00 520 97.22 97.22 1.30e-40 . . . . 16824 1
9 no GB AAC99855 . "Wiskott-Aldrich syndrome protein (WASP) [Mus musculus]" . . . . . 100.00 520 97.22 97.22 1.30e-40 . . . . 16824 1
10 no PRF 2112369A . "Wiskott-Aldrich syndrome gene" . . . . . 100.00 502 97.22 97.22 8.32e-41 . . . . 16824 1
11 no PRF 2122283A . "Wiskott-Aldrich syndrome protein" . . . . . 100.00 520 97.22 97.22 1.30e-40 . . . . 16824 1
12 no REF NP_000368 . "wiskott-Aldrich syndrome protein [Homo sapiens]" . . . . . 100.00 502 97.22 97.22 8.32e-41 . . . . 16824 1
13 no REF NP_001101718 . "wiskott-Aldrich syndrome protein [Rattus norvegicus]" . . . . . 100.00 355 97.22 97.22 2.95e-40 . . . . 16824 1
14 no REF NP_033541 . "wiskott-Aldrich syndrome protein homolog [Mus musculus]" . . . . . 100.00 520 97.22 97.22 1.30e-40 . . . . 16824 1
15 no REF XP_002831654 . "PREDICTED: wiskott-Aldrich syndrome protein-like, partial [Pongo abelii]" . . . . . 90.28 260 100.00 100.00 5.90e-39 . . . . 16824 1
16 no REF XP_003276872 . "PREDICTED: wiskott-Aldrich syndrome protein [Nomascus leucogenys]" . . . . . 100.00 502 97.22 97.22 7.99e-41 . . . . 16824 1
17 no SP P42768 . "RecName: Full=Wiskott-Aldrich syndrome protein; Short=WASp" . . . . . 100.00 502 97.22 97.22 8.32e-41 . . . . 16824 1
18 no SP P70315 . "RecName: Full=Wiskott-Aldrich syndrome protein homolog; Short=WASp" . . . . . 100.00 520 97.22 97.22 1.30e-40 . . . . 16824 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 . GLY . 16824 1
2 . HIS . 16824 1
3 . MET . 16824 1
4 . SER . 16824 1
5 . GLY . 16824 1
6 . PHE . 16824 1
7 . LYS . 16824 1
8 . HIS . 16824 1
9 . VAL . 16824 1
10 . SER . 16824 1
11 . HIS . 16824 1
12 . VAL . 16824 1
13 . GLY . 16824 1
14 . TRP . 16824 1
15 . ASP . 16824 1
16 . PRO . 16824 1
17 . GLN . 16824 1
18 . ASN . 16824 1
19 . GLY . 16824 1
20 . PHE . 16824 1
21 . ASP . 16824 1
22 . VAL . 16824 1
23 . ASN . 16824 1
24 . ASN . 16824 1
25 . LEU . 16824 1
26 . ASP . 16824 1
27 . PRO . 16824 1
28 . ASP . 16824 1
29 . LEU . 16824 1
30 . ARG . 16824 1
31 . SER . 16824 1
32 . LEU . 16824 1
33 . PHE . 16824 1
34 . SER . 16824 1
35 . ARG . 16824 1
36 . ALA . 16824 1
37 . GLY . 16824 1
38 . ILE . 16824 1
39 . SER . 16824 1
40 . GLU . 16824 1
41 . ALA . 16824 1
42 . GLN . 16824 1
43 . LEU . 16824 1
44 . THR . 16824 1
45 . ASP . 16824 1
46 . ALA . 16824 1
47 . GLU . 16824 1
48 . THR . 16824 1
49 . SER . 16824 1
50 . LYS . 16824 1
51 . LEU . 16824 1
52 . ILE . 16824 1
53 . TYR . 16824 1
54 . ASP . 16824 1
55 . PHE . 16824 1
56 . ILE . 16824 1
57 . GLU . 16824 1
58 . ASP . 16824 1
59 . GLN . 16824 1
60 . GLY . 16824 1
61 . GLY . 16824 1
62 . LEU . 16824 1
63 . GLU . 16824 1
64 . ALA . 16824 1
65 . VAL . 16824 1
66 . ARG . 16824 1
67 . GLN . 16824 1
68 . GLU . 16824 1
69 . MET . 16824 1
70 . ARG . 16824 1
71 . ARG . 16824 1
72 . GLN . 16824 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
. GLY 1 1 16824 1
. HIS 2 2 16824 1
. MET 3 3 16824 1
. SER 4 4 16824 1
. GLY 5 5 16824 1
. PHE 6 6 16824 1
. LYS 7 7 16824 1
. HIS 8 8 16824 1
. VAL 9 9 16824 1
. SER 10 10 16824 1
. HIS 11 11 16824 1
. VAL 12 12 16824 1
. GLY 13 13 16824 1
. TRP 14 14 16824 1
. ASP 15 15 16824 1
. PRO 16 16 16824 1
. GLN 17 17 16824 1
. ASN 18 18 16824 1
. GLY 19 19 16824 1
. PHE 20 20 16824 1
. ASP 21 21 16824 1
. VAL 22 22 16824 1
. ASN 23 23 16824 1
. ASN 24 24 16824 1
. LEU 25 25 16824 1
. ASP 26 26 16824 1
. PRO 27 27 16824 1
. ASP 28 28 16824 1
. LEU 29 29 16824 1
. ARG 30 30 16824 1
. SER 31 31 16824 1
. LEU 32 32 16824 1
. PHE 33 33 16824 1
. SER 34 34 16824 1
. ARG 35 35 16824 1
. ALA 36 36 16824 1
. GLY 37 37 16824 1
. ILE 38 38 16824 1
. SER 39 39 16824 1
. GLU 40 40 16824 1
. ALA 41 41 16824 1
. GLN 42 42 16824 1
. LEU 43 43 16824 1
. THR 44 44 16824 1
. ASP 45 45 16824 1
. ALA 46 46 16824 1
. GLU 47 47 16824 1
. THR 48 48 16824 1
. SER 49 49 16824 1
. LYS 50 50 16824 1
. LEU 51 51 16824 1
. ILE 52 52 16824 1
. TYR 53 53 16824 1
. ASP 54 54 16824 1
. PHE 55 55 16824 1
. ILE 56 56 16824 1
. GLU 57 57 16824 1
. ASP 58 58 16824 1
. GLN 59 59 16824 1
. GLY 60 60 16824 1
. GLY 61 61 16824 1
. LEU 62 62 16824 1
. GLU 63 63 16824 1
. ALA 64 64 16824 1
. VAL 65 65 16824 1
. ARG 66 66 16824 1
. GLN 67 67 16824 1
. GLU 68 68 16824 1
. MET 69 69 16824 1
. ARG 70 70 16824 1
. ARG 71 71 16824 1
. GLN 72 72 16824 1
stop_
save_
save_R33
_Entity.Sf_category entity
_Entity.Sf_framecode R33
_Entity.Entry_ID 16824
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name R33
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID B
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GHMLPDVAQRLMQHLAEHGI
QPARNMAEHIPPAPNW
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 36
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 4070.712
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-01-30
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 18165 . entity_3 . . . . . 91.67 48 100.00 100.00 6.04e-14 . . . . 16824 2
2 no PDB 2K42 . "Solution Structure Of The Gtpase Binding Domain Of Wasp In Complex With Espfu, An Ehec Effector" . . . . . 100.00 36 100.00 100.00 2.13e-16 . . . . 16824 2
3 no PDB 2KXC . "1h, 13c, And 15n Chemical Shift Assignments For Irtks-Sh3 And Espfu- R47 Complex" . . . . . 91.67 48 100.00 100.00 6.04e-14 . . . . 16824 2
4 no PDB 2LNH . "Enterohaemorrhagic E. Coli (Ehec) Exploits A Tryptophan Switch To Hijack Host F-Actin Assembly" . . . . . 91.67 48 100.00 100.00 6.04e-14 . . . . 16824 2
5 no GB EHU63438 . "tir-cytoskeleton coupling protein, partial [Escherichia coli DEC3A]" . . . . . 91.67 79 100.00 100.00 7.06e-14 . . . . 16824 2
6 no GB EHV07820 . "espF-like protein [Escherichia coli DEC4D]" . . . . . 52.78 49 100.00 100.00 3.36e-03 . . . . 16824 2
7 no GB EIN75194 . "type III secreted effector protein, partial [Escherichia coli PA10]" . . . . . 77.78 87 100.00 100.00 1.59e-08 . . . . 16824 2
8 no GB EIN98845 . "tir-cytoskeleton coupling protein, partial [Escherichia coli PA24]" . . . . . 77.78 87 100.00 100.00 1.59e-08 . . . . 16824 2
9 no GB EIN98874 . "tir-cytoskeleton coupling protein, partial [Escherichia coli PA25]" . . . . . 77.78 87 100.00 100.00 1.59e-08 . . . . 16824 2
10 no REF WP_000807599 . "hypothetical protein, partial [Escherichia coli]" . . . . . 77.78 202 100.00 100.00 1.16e-07 . . . . 16824 2
11 no REF WP_001451998 . "type III secreted effector protein, partial [Escherichia coli]" . . . . . 77.78 87 100.00 100.00 1.59e-08 . . . . 16824 2
12 no REF WP_001457107 . "tir-cytoskeleton coupling protein, partial [Escherichia coli]" . . . . . 77.78 86 100.00 100.00 1.36e-08 . . . . 16824 2
13 no REF WP_001473124 . "espF repeat family protein, partial [Escherichia coli]" . . . . . 77.78 83 100.00 100.00 1.41e-08 . . . . 16824 2
14 no REF WP_032163511 . "hypothetical protein, partial [Escherichia coli]" . . . . . 77.78 115 100.00 100.00 6.02e-08 . . . . 16824 2
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 73 GLY . 16824 2
2 74 HIS . 16824 2
3 75 MET . 16824 2
4 76 LEU . 16824 2
5 77 PRO . 16824 2
6 78 ASP . 16824 2
7 79 VAL . 16824 2
8 80 ALA . 16824 2
9 81 GLN . 16824 2
10 82 ARG . 16824 2
11 83 LEU . 16824 2
12 84 MET . 16824 2
13 85 GLN . 16824 2
14 86 HIS . 16824 2
15 87 LEU . 16824 2
16 88 ALA . 16824 2
17 89 GLU . 16824 2
18 90 HIS . 16824 2
19 91 GLY . 16824 2
20 92 ILE . 16824 2
21 93 GLN . 16824 2
22 94 PRO . 16824 2
23 95 ALA . 16824 2
24 96 ARG . 16824 2
25 97 ASN . 16824 2
26 98 MET . 16824 2
27 99 ALA . 16824 2
28 100 GLU . 16824 2
29 101 HIS . 16824 2
30 102 ILE . 16824 2
31 103 PRO . 16824 2
32 104 PRO . 16824 2
33 105 ALA . 16824 2
34 106 PRO . 16824 2
35 107 ASN . 16824 2
36 108 TRP . 16824 2
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
. GLY 1 1 16824 2
. HIS 2 2 16824 2
. MET 3 3 16824 2
. LEU 4 4 16824 2
. PRO 5 5 16824 2
. ASP 6 6 16824 2
. VAL 7 7 16824 2
. ALA 8 8 16824 2
. GLN 9 9 16824 2
. ARG 10 10 16824 2
. LEU 11 11 16824 2
. MET 12 12 16824 2
. GLN 13 13 16824 2
. HIS 14 14 16824 2
. LEU 15 15 16824 2
. ALA 16 16 16824 2
. GLU 17 17 16824 2
. HIS 18 18 16824 2
. GLY 19 19 16824 2
. ILE 20 20 16824 2
. GLN 21 21 16824 2
. PRO 22 22 16824 2
. ALA 23 23 16824 2
. ARG 24 24 16824 2
. ASN 25 25 16824 2
. MET 26 26 16824 2
. ALA 27 27 16824 2
. GLU 28 28 16824 2
. HIS 29 29 16824 2
. ILE 30 30 16824 2
. PRO 31 31 16824 2
. PRO 32 32 16824 2
. ALA 33 33 16824 2
. PRO 34 34 16824 2
. ASN 35 35 16824 2
. TRP 36 36 16824 2
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 16824
_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 $GBD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16824 1
2 2 $R33 . 83334 organism . 'Escherichia coli O157:H7' 'Escherichia coli O157:H7' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16824 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 16824
_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 $GBD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pGEX . . . . . . 16824 1
2 2 $R33 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pGEX . . . . . . 16824 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 16824
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '50 mM sodium phosphate pH 6.8, 100 mM NaCl, 1 mM DTT, and 1 mM EDTA'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'GBD/R33 complex' '[U-100% 13C; U-100% 15N]' 1 $assembly . . . . . 1 1.5 mM . . . . 16824 1
2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16824 1
3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16824 1
4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16824 1
5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16824 1
6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16824 1
7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16824 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 16824
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '50 mM sodium phosphate pH 6.8, 100 mM NaCl, 1 mM DTT, and 1 mM EDTA'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '100% 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 'GBD/R33 complex' '[U-100% 13C; U-100% 15N]' 1 $assembly . . . . . 1 1.5 mM . . . . 16824 2
2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16824 2
3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16824 2
4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16824 2
5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16824 2
6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16824 2
stop_
save_
save_sample_3
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3
_Sample.Entry_ID 16824
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '50 mM sodium phosphate pH 6.8, 100 mM NaCl, 1 mM DTT, and 1 mM EDTA'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '100% 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 R33 'natural abundance' . . 2 $R33 . . 1 . . mM . . . . 16824 3
2 GBD '[U-100% 13C; U-100% 15N]' . . 1 $GBD . . 1 . . mM . . . . 16824 3
3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16824 3
4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16824 3
5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16824 3
6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16824 3
7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16824 3
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 16824
_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
pH 6.8 . pH 16824 1
pressure 1 . atm 16824 1
temperature 298.15 . K 16824 1
stop_
save_
############################
# Computer software used #
############################
save_ARIA
_Software.Sf_category software
_Software.Sf_framecode ARIA
_Software.Entry_ID 16824
_Software.ID 1
_Software.Name ARIA
_Software.Version 2.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Linge, O'Donoghue and Nilges' . . 16824 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 16824 1
'structure solution' 16824 1
stop_
save_
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 16824
_Software.ID 2
_Software.Name CNS
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16824 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 16824 2
stop_
save_
save_NMRView
_Software.Sf_category software
_Software.Sf_framecode NMRView
_Software.Entry_ID 16824
_Software.ID 3
_Software.Name NMRView
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Johnson, One Moon Scientific' . . 16824 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'peak picking' 16824 3
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 16824
_Software.ID 4
_Software.Name NMRPipe
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16824 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 16824 4
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 16824
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 16824
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
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 16824
_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 Varian INOVA . 600 . . . 16824 1
2 spectrometer_2 Varian INOVA . 500 . . . 16824 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 16824
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16824 1
2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16824 1
3 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16824 1
4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16824 1
5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16824 1
6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16824 1
7 '4D 13C-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16824 1
8 '3D 13C-filtered NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16824 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 16824
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16824 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16824 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16824 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 16824
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D HNCACB' . . . 16824 1
2 '3D CBCA(CO)NH' . . . 16824 1
3 '3D HCCH-TOCSY' . . . 16824 1
6 '3D HNCO' . . . 16824 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 3 3 MET HA H 1 4.517 . . 1 . . . . 3 M HA . 16824 1
2 . 1 1 3 3 MET HB2 H 1 1.988 . . 2 . . . . 3 M HB1 . 16824 1
3 . 1 1 3 3 MET HB3 H 1 2.089 . . 2 . . . . 3 M HB2 . 16824 1
4 . 1 1 3 3 MET HE1 H 1 2.093 . . 1 . . . . 3 M HE1 . 16824 1
5 . 1 1 3 3 MET HE2 H 1 2.093 . . 1 . . . . 3 M HE1 . 16824 1
6 . 1 1 3 3 MET HE3 H 1 2.093 . . 1 . . . . 3 M HE1 . 16824 1
7 . 1 1 3 3 MET HG2 H 1 2.448 . . 2 . . . . 3 M HG1 . 16824 1
8 . 1 1 3 3 MET HG3 H 1 2.544 . . 2 . . . . 3 M HG2 . 16824 1
9 . 1 1 3 3 MET C C 13 176.121 . . 1 . . . . 3 M C . 16824 1
10 . 1 1 3 3 MET CA C 13 55.540 . . 1 . . . . 3 M CA . 16824 1
11 . 1 1 3 3 MET CB C 13 32.800 . . 1 . . . . 3 M CB . 16824 1
12 . 1 1 3 3 MET CE C 13 16.889 . . 1 . . . . 3 M CE . 16824 1
13 . 1 1 3 3 MET CG C 13 32.080 . . 1 . . . . 3 M CG . 16824 1
14 . 1 1 4 4 SER H H 1 8.412 . . 1 . . . . 4 S HN . 16824 1
15 . 1 1 4 4 SER HA H 1 4.430 . . 1 . . . . 4 S HA . 16824 1
16 . 1 1 4 4 SER HB2 H 1 3.900 . . 2 . . . . 4 S HB1 . 16824 1
17 . 1 1 4 4 SER HB3 H 1 3.766 . . 2 . . . . 4 S HB2 . 16824 1
18 . 1 1 4 4 SER C C 13 174.917 . . 1 . . . . 4 S C . 16824 1
19 . 1 1 4 4 SER CA C 13 58.761 . . 1 . . . . 4 S CA . 16824 1
20 . 1 1 4 4 SER CB C 13 63.742 . . 1 . . . . 4 S CB . 16824 1
21 . 1 1 4 4 SER N N 15 117.326 . . 1 . . . . 4 S N . 16824 1
22 . 1 1 5 5 GLY H H 1 8.450 . . 1 . . . . 5 G HN . 16824 1
23 . 1 1 5 5 GLY HA2 H 1 3.881 . . 2 . . . . 5 G HA1 . 16824 1
24 . 1 1 5 5 GLY HA3 H 1 3.967 . . 2 . . . . 5 G HA2 . 16824 1
25 . 1 1 5 5 GLY C C 13 173.790 . . 1 . . . . 5 G C . 16824 1
26 . 1 1 5 5 GLY CA C 13 45.250 . . 1 . . . . 5 G CA . 16824 1
27 . 1 1 5 5 GLY N N 15 110.830 . . 1 . . . . 5 G N . 16824 1
28 . 1 1 6 6 PHE H H 1 8.060 . . 1 . . . . 6 F HN . 16824 1
29 . 1 1 6 6 PHE HA H 1 4.601 . . 1 . . . . 6 F HA . 16824 1
30 . 1 1 6 6 PHE HB2 H 1 3.096 . . 2 . . . . 6 F HB1 . 16824 1
31 . 1 1 6 6 PHE HB3 H 1 3.000 . . 2 . . . . 6 F HB2 . 16824 1
32 . 1 1 6 6 PHE HD1 H 1 7.202 . . 3 . . . . 6 F HD1 . 16824 1
33 . 1 1 6 6 PHE HD2 H 1 7.202 . . 3 . . . . 6 F HD2 . 16824 1
34 . 1 1 6 6 PHE HE1 H 1 7.312 . . 3 . . . . 6 F HE1 . 16824 1
35 . 1 1 6 6 PHE HE2 H 1 7.312 . . 3 . . . . 6 F HE2 . 16824 1
36 . 1 1 6 6 PHE C C 13 175.541 . . 1 . . . . 6 F C . 16824 1
37 . 1 1 6 6 PHE CA C 13 57.760 . . 1 . . . . 6 F CA . 16824 1
38 . 1 1 6 6 PHE CB C 13 39.730 . . 1 . . . . 6 F CB . 16824 1
39 . 1 1 6 6 PHE N N 15 119.950 . . 1 . . . . 6 F N . 16824 1
40 . 1 1 7 7 LYS H H 1 8.210 . . 1 . . . . 7 K HN . 16824 1
41 . 1 1 7 7 LYS HA H 1 4.269 . . 1 . . . . 7 K HA . 16824 1
42 . 1 1 7 7 LYS HB2 H 1 1.720 . . 2 . . . . 7 K HB1 . 16824 1
43 . 1 1 7 7 LYS HB3 H 1 1.675 . . 2 . . . . 7 K HB2 . 16824 1
44 . 1 1 7 7 LYS HD2 H 1 1.663 . . 2 . . . . 7 K HD1 . 16824 1
45 . 1 1 7 7 LYS HD3 H 1 1.650 . . 2 . . . . 7 K HD2 . 16824 1
46 . 1 1 7 7 LYS HE2 H 1 2.963 . . 2 . . . . 7 K HE1 . 16824 1
47 . 1 1 7 7 LYS HE3 H 1 3.009 . . 2 . . . . 7 K HE2 . 16824 1
48 . 1 1 7 7 LYS HG2 H 1 1.340 . . 2 . . . . 7 K HG1 . 16824 1
49 . 1 1 7 7 LYS HG3 H 1 1.312 . . 2 . . . . 7 K HG2 . 16824 1
50 . 1 1 7 7 LYS C C 13 175.712 . . 1 . . . . 7 K C . 16824 1
51 . 1 1 7 7 LYS CA C 13 56.290 . . 1 . . . . 7 K CA . 16824 1
52 . 1 1 7 7 LYS CB C 13 33.230 . . 1 . . . . 7 K CB . 16824 1
53 . 1 1 7 7 LYS CD C 13 29.011 . . 1 . . . . 7 K CD . 16824 1
54 . 1 1 7 7 LYS CE C 13 42.163 . . 1 . . . . 7 K CE . 16824 1
55 . 1 1 7 7 LYS CG C 13 24.702 . . 1 . . . . 7 K CG . 16824 1
56 . 1 1 7 7 LYS N N 15 123.160 . . 1 . . . . 7 K N . 16824 1
57 . 1 1 8 8 HIS H H 1 8.331 . . 1 . . . . 8 H HN . 16824 1
58 . 1 1 8 8 HIS HA H 1 4.635 . . 1 . . . . 8 H HA . 16824 1
59 . 1 1 8 8 HIS HB2 H 1 3.144 . . 2 . . . . 8 H HB1 . 16824 1
60 . 1 1 8 8 HIS HB3 H 1 3.066 . . 2 . . . . 8 H HB2 . 16824 1
61 . 1 1 8 8 HIS HD2 H 1 7.075 . . 3 . . . . 8 H HD2 . 16824 1
62 . 1 1 8 8 HIS HE1 H 1 7.949 . . 3 . . . . 8 H HE1 . 16824 1
63 . 1 1 8 8 HIS C C 13 175.116 . . 1 . . . . 8 H C . 16824 1
64 . 1 1 8 8 HIS CA C 13 56.204 . . 1 . . . . 8 H CA . 16824 1
65 . 1 1 8 8 HIS CB C 13 30.762 . . 1 . . . . 8 H CB . 16824 1
66 . 1 1 8 8 HIS CD2 C 13 119.574 . . 1 . . . . 8 H CD2 . 16824 1
67 . 1 1 8 8 HIS CE1 C 13 137.959 . . 1 . . . . 8 H CE1 . 16824 1
68 . 1 1 8 8 HIS N N 15 121.154 . . 1 . . . . 8 H N . 16824 1
69 . 1 1 9 9 VAL H H 1 8.150 . . 1 . . . . 9 V HN . 16824 1
70 . 1 1 9 9 VAL HA H 1 4.179 . . 1 . . . . 9 V HA . 16824 1
71 . 1 1 9 9 VAL HB H 1 2.090 . . 1 . . . . 9 V HB . 16824 1
72 . 1 1 9 9 VAL HG11 H 1 0.936 . . 2 . . . . 9 V HG11 . 16824 1
73 . 1 1 9 9 VAL HG12 H 1 0.936 . . 2 . . . . 9 V HG11 . 16824 1
74 . 1 1 9 9 VAL HG13 H 1 0.936 . . 2 . . . . 9 V HG11 . 16824 1
75 . 1 1 9 9 VAL HG21 H 1 0.924 . . 2 . . . . 9 V HG21 . 16824 1
76 . 1 1 9 9 VAL HG22 H 1 0.924 . . 2 . . . . 9 V HG21 . 16824 1
77 . 1 1 9 9 VAL HG23 H 1 0.924 . . 2 . . . . 9 V HG21 . 16824 1
78 . 1 1 9 9 VAL C C 13 175.813 . . 1 . . . . 9 V C . 16824 1
79 . 1 1 9 9 VAL CA C 13 62.260 . . 1 . . . . 9 V CA . 16824 1
80 . 1 1 9 9 VAL CB C 13 33.040 . . 1 . . . . 9 V CB . 16824 1
81 . 1 1 9 9 VAL CG1 C 13 20.483 . . 1 . . . . 9 V CG1 . 16824 1
82 . 1 1 9 9 VAL CG2 C 13 21.050 . . 1 . . . . 9 V CG2 . 16824 1
83 . 1 1 9 9 VAL N N 15 122.060 . . 1 . . . . 9 V N . 16824 1
84 . 1 1 10 10 SER H H 1 8.540 . . 1 . . . . 10 S HN . 16824 1
85 . 1 1 10 10 SER HA H 1 4.559 . . 1 . . . . 10 S HA . 16824 1
86 . 1 1 10 10 SER HB2 H 1 3.940 . . 2 . . . . 10 S HB1 . 16824 1
87 . 1 1 10 10 SER HB3 H 1 3.920 . . 2 . . . . 10 S HB2 . 16824 1
88 . 1 1 10 10 SER CA C 13 58.250 . . 1 . . . . 10 S CA . 16824 1
89 . 1 1 10 10 SER CB C 13 63.930 . . 1 . . . . 10 S CB . 16824 1
90 . 1 1 10 10 SER N N 15 119.490 . . 1 . . . . 10 S N . 16824 1
91 . 1 1 11 11 HIS HA H 1 4.860 . . 1 . . . . 11 H HA . 16824 1
92 . 1 1 11 11 HIS HB2 H 1 3.305 . . 2 . . . . 11 H HB1 . 16824 1
93 . 1 1 11 11 HIS HB3 H 1 3.211 . . 2 . . . . 11 H HB2 . 16824 1
94 . 1 1 11 11 HIS HD2 H 1 7.138 . . 3 . . . . 11 H HD2 . 16824 1
95 . 1 1 11 11 HIS HE1 H 1 8.043 . . 3 . . . . 11 H HE1 . 16824 1
96 . 1 1 11 11 HIS C C 13 175.131 . . 1 . . . . 11 H C . 16824 1
97 . 1 1 11 11 HIS CA C 13 56.211 . . 1 . . . . 11 H CA . 16824 1
98 . 1 1 11 11 HIS CB C 13 30.940 . . 1 . . . . 11 H CB . 16824 1
99 . 1 1 11 11 HIS CE1 C 13 137.959 . . 1 . . . . 11 H CE1 . 16824 1
100 . 1 1 12 12 VAL H H 1 8.410 . . 1 . . . . 12 V HN . 16824 1
101 . 1 1 12 12 VAL HA H 1 4.233 . . 1 . . . . 12 V HA . 16824 1
102 . 1 1 12 12 VAL HB H 1 2.412 . . 1 . . . . 12 V HB . 16824 1
103 . 1 1 12 12 VAL HG11 H 1 1.178 . . 2 . . . . 12 V HG11 . 16824 1
104 . 1 1 12 12 VAL HG12 H 1 1.178 . . 2 . . . . 12 V HG11 . 16824 1
105 . 1 1 12 12 VAL HG13 H 1 1.178 . . 2 . . . . 12 V HG11 . 16824 1
106 . 1 1 12 12 VAL HG21 H 1 1.176 . . 2 . . . . 12 V HG21 . 16824 1
107 . 1 1 12 12 VAL HG22 H 1 1.176 . . 2 . . . . 12 V HG21 . 16824 1
108 . 1 1 12 12 VAL HG23 H 1 1.176 . . 2 . . . . 12 V HG21 . 16824 1
109 . 1 1 12 12 VAL C C 13 175.974 . . 1 . . . . 12 V C . 16824 1
110 . 1 1 12 12 VAL CA C 13 62.640 . . 1 . . . . 12 V CA . 16824 1
111 . 1 1 12 12 VAL CB C 13 32.850 . . 1 . . . . 12 V CB . 16824 1
112 . 1 1 12 12 VAL CG1 C 13 22.168 . . 2 . . . . 12 V CG1 . 16824 1
113 . 1 1 12 12 VAL CG2 C 13 21.520 . . 2 . . . . 12 V CG2 . 16824 1
114 . 1 1 12 12 VAL N N 15 120.200 . . 1 . . . . 12 V N . 16824 1
115 . 1 1 13 13 GLY H H 1 8.470 . . 1 . . . . 13 G HN . 16824 1
116 . 1 1 13 13 GLY HA2 H 1 4.187 . . 2 . . . . 13 G HA1 . 16824 1
117 . 1 1 13 13 GLY HA3 H 1 4.027 . . 2 . . . . 13 G HA2 . 16824 1
118 . 1 1 13 13 GLY C C 13 173.007 . . 1 . . . . 13 G C . 16824 1
119 . 1 1 13 13 GLY CA C 13 46.470 . . 1 . . . . 13 G CA . 16824 1
120 . 1 1 13 13 GLY N N 15 110.910 . . 1 . . . . 13 G N . 16824 1
121 . 1 1 14 14 TRP H H 1 7.760 . . 1 . . . . 14 W HN . 16824 1
122 . 1 1 14 14 TRP HA H 1 4.309 . . 1 . . . . 14 W HA . 16824 1
123 . 1 1 14 14 TRP HB2 H 1 2.607 . . 2 . . . . 14 W HB1 . 16824 1
124 . 1 1 14 14 TRP HB3 H 1 2.353 . . 2 . . . . 14 W HB2 . 16824 1
125 . 1 1 14 14 TRP HD1 H 1 5.715 . . 1 . . . . 14 W HD1 . 16824 1
126 . 1 1 14 14 TRP HE1 H 1 9.400 . . 3 . . . . 14 W HE1 . 16824 1
127 . 1 1 14 14 TRP HE3 H 1 6.510 . . 3 . . . . 14 W HE3 . 16824 1
128 . 1 1 14 14 TRP HH2 H 1 6.910 . . 1 . . . . 14 W HH2 . 16824 1
129 . 1 1 14 14 TRP HZ2 H 1 7.180 . . 3 . . . . 14 W HZ2 . 16824 1
130 . 1 1 14 14 TRP HZ3 H 1 6.540 . . 3 . . . . 14 W HZ3 . 16824 1
131 . 1 1 14 14 TRP C C 13 173.437 . . 1 . . . . 14 W C . 16824 1
132 . 1 1 14 14 TRP CA C 13 57.320 . . 1 . . . . 14 W CA . 16824 1
133 . 1 1 14 14 TRP CB C 13 31.380 . . 1 . . . . 14 W CB . 16824 1
134 . 1 1 14 14 TRP CD1 C 13 124.818 . . 1 . . . . 14 W CD1 . 16824 1
135 . 1 1 14 14 TRP CH2 C 13 123.200 . . 1 . . . . 14 W CH2 . 16824 1
136 . 1 1 14 14 TRP CZ2 C 13 113.000 . . 3 . . . . 14 W CZ2 . 16824 1
137 . 1 1 14 14 TRP N N 15 122.550 . . 1 . . . . 14 W N . 16824 1
138 . 1 1 14 14 TRP NE1 N 15 127.338 . . 1 . . . . 14 W NE1 . 16824 1
139 . 1 1 15 15 ASP H H 1 7.050 . . 1 . . . . 15 D HN . 16824 1
140 . 1 1 15 15 ASP HA H 1 4.206 . . 1 . . . . 15 D HA . 16824 1
141 . 1 1 15 15 ASP HB2 H 1 2.316 . . 2 . . . . 15 D HB1 . 16824 1
142 . 1 1 15 15 ASP HB3 H 1 2.451 . . 2 . . . . 15 D HB2 . 16824 1
143 . 1 1 15 15 ASP CA C 13 51.030 . . 1 . . . . 15 D CA . 16824 1
144 . 1 1 15 15 ASP CB C 13 44.430 . . 1 . . . . 15 D CB . 16824 1
145 . 1 1 15 15 ASP N N 15 127.420 . . 1 . . . . 15 D N . 16824 1
146 . 1 1 16 16 PRO HA H 1 3.593 . . 1 . . . . 16 P HA . 16824 1
147 . 1 1 16 16 PRO HB2 H 1 2.122 . . 2 . . . . 16 P HB1 . 16824 1
148 . 1 1 16 16 PRO HB3 H 1 1.730 . . 2 . . . . 16 P HB2 . 16824 1
149 . 1 1 16 16 PRO HD2 H 1 3.340 . . 2 . . . . 16 P HD1 . 16824 1
150 . 1 1 16 16 PRO HD3 H 1 2.950 . . 2 . . . . 16 P HD2 . 16824 1
151 . 1 1 16 16 PRO HG2 H 1 1.780 . . 2 . . . . 16 P HG1 . 16824 1
152 . 1 1 16 16 PRO HG3 H 1 1.786 . . 2 . . . . 16 P HG2 . 16824 1
153 . 1 1 16 16 PRO C C 13 177.255 . . 1 . . . . 16 P C . 16824 1
154 . 1 1 16 16 PRO CA C 13 63.667 . . 1 . . . . 16 P CA . 16824 1
155 . 1 1 16 16 PRO CB C 13 31.844 . . 1 . . . . 16 P CB . 16824 1
156 . 1 1 16 16 PRO CD C 13 50.107 . . 1 . . . . 16 P CD . 16824 1
157 . 1 1 16 16 PRO CG C 13 26.850 . . 1 . . . . 16 P CG . 16824 1
158 . 1 1 17 17 GLN H H 1 7.970 . . 1 . . . . 17 Q HN . 16824 1
159 . 1 1 17 17 GLN HA H 1 4.235 . . 1 . . . . 17 Q HA . 16824 1
160 . 1 1 17 17 GLN HB2 H 1 1.907 . . 2 . . . . 17 Q HB1 . 16824 1
161 . 1 1 17 17 GLN HB3 H 1 1.918 . . 2 . . . . 17 Q HB2 . 16824 1
162 . 1 1 17 17 GLN HE21 H 1 7.500 . . 2 . . . . 17 Q HE21 . 16824 1
163 . 1 1 17 17 GLN HE22 H 1 6.780 . . 2 . . . . 17 Q HE22 . 16824 1
164 . 1 1 17 17 GLN HG2 H 1 2.215 . . 2 . . . . 17 Q HG1 . 16824 1
165 . 1 1 17 17 GLN HG3 H 1 2.245 . . 2 . . . . 17 Q HG2 . 16824 1
166 . 1 1 17 17 GLN C C 13 176.736 . . 1 . . . . 17 Q C . 16824 1
167 . 1 1 17 17 GLN CA C 13 57.130 . . 1 . . . . 17 Q CA . 16824 1
168 . 1 1 17 17 GLN CB C 13 29.690 . . 1 . . . . 17 Q CB . 16824 1
169 . 1 1 17 17 GLN CG C 13 34.471 . . 1 . . . . 17 Q CG . 16824 1
170 . 1 1 17 17 GLN N N 15 115.180 . . 1 . . . . 17 Q N . 16824 1
171 . 1 1 17 17 GLN NE2 N 15 112.200 . . 1 . . . . 17 Q NE2 . 16824 1
172 . 1 1 18 18 ASN H H 1 8.470 . . 1 . . . . 18 N HN . 16824 1
173 . 1 1 18 18 ASN HA H 1 4.712 . . 1 . . . . 18 N HA . 16824 1
174 . 1 1 18 18 ASN HB2 H 1 2.727 . . 2 . . . . 18 N HB1 . 16824 1
175 . 1 1 18 18 ASN HB3 H 1 2.500 . . 2 . . . . 18 N HB2 . 16824 1
176 . 1 1 18 18 ASN HD21 H 1 7.850 . . 2 . . . . 18 N HD21 . 16824 1
177 . 1 1 18 18 ASN HD22 H 1 6.820 . . 2 . . . . 18 N HD22 . 16824 1
178 . 1 1 18 18 ASN C C 13 175.138 . . 1 . . . . 18 N C . 16824 1
179 . 1 1 18 18 ASN CA C 13 53.280 . . 1 . . . . 18 N CA . 16824 1
180 . 1 1 18 18 ASN CB C 13 39.980 . . 1 . . . . 18 N CB . 16824 1
181 . 1 1 18 18 ASN N N 15 116.380 . . 1 . . . . 18 N N . 16824 1
182 . 1 1 18 18 ASN ND2 N 15 115.200 . . 1 . . . . 18 N ND2 . 16824 1
183 . 1 1 19 19 GLY H H 1 7.840 . . 1 . . . . 19 G HN . 16824 1
184 . 1 1 19 19 GLY HA2 H 1 4.110 . . 2 . . . . 19 G HA1 . 16824 1
185 . 1 1 19 19 GLY HA3 H 1 3.581 . . 2 . . . . 19 G HA2 . 16824 1
186 . 1 1 19 19 GLY C C 13 175.631 . . 1 . . . . 19 G C . 16824 1
187 . 1 1 19 19 GLY CA C 13 45.350 . . 1 . . . . 19 G CA . 16824 1
188 . 1 1 19 19 GLY N N 15 107.790 . . 1 . . . . 19 G N . 16824 1
189 . 1 1 20 20 PHE H H 1 8.710 . . 1 . . . . 20 F HN . 16824 1
190 . 1 1 20 20 PHE HA H 1 4.853 . . 1 . . . . 20 F HA . 16824 1
191 . 1 1 20 20 PHE HB2 H 1 2.884 . . 2 . . . . 20 F HB1 . 16824 1
192 . 1 1 20 20 PHE HB3 H 1 2.936 . . 2 . . . . 20 F HB2 . 16824 1
193 . 1 1 20 20 PHE HD1 H 1 7.700 . . 3 . . . . 20 F HD1 . 16824 1
194 . 1 1 20 20 PHE HD2 H 1 7.700 . . 3 . . . . 20 F HD2 . 16824 1
195 . 1 1 20 20 PHE HE1 H 1 7.450 . . 3 . . . . 20 F HE1 . 16824 1
196 . 1 1 20 20 PHE HE2 H 1 7.450 . . 3 . . . . 20 F HE2 . 16824 1
197 . 1 1 20 20 PHE HZ H 1 7.060 . . 1 . . . . 20 F HZ . 16824 1
198 . 1 1 20 20 PHE C C 13 175.456 . . 1 . . . . 20 F C . 16824 1
199 . 1 1 20 20 PHE CA C 13 59.040 . . 1 . . . . 20 F CA . 16824 1
200 . 1 1 20 20 PHE CB C 13 40.330 . . 1 . . . . 20 F CB . 16824 1
201 . 1 1 20 20 PHE CD1 C 13 132.539 . . 3 . . . . 20 F CD1 . 16824 1
202 . 1 1 20 20 PHE CD2 C 13 132.539 . . 3 . . . . 20 F CD2 . 16824 1
203 . 1 1 20 20 PHE CE1 C 13 131.125 . . 3 . . . . 20 F CE1 . 16824 1
204 . 1 1 20 20 PHE CE2 C 13 131.125 . . 3 . . . . 20 F CE2 . 16824 1
205 . 1 1 20 20 PHE CZ C 13 128.833 . . 1 . . . . 20 F CZ . 16824 1
206 . 1 1 20 20 PHE N N 15 120.580 . . 1 . . . . 20 F N . 16824 1
207 . 1 1 21 21 ASP H H 1 8.330 . . 1 . . . . 21 D HN . 16824 1
208 . 1 1 21 21 ASP HA H 1 4.701 . . 1 . . . . 21 D HA . 16824 1
209 . 1 1 21 21 ASP HB2 H 1 2.950 . . 2 . . . . 21 D HB1 . 16824 1
210 . 1 1 21 21 ASP HB3 H 1 2.660 . . 2 . . . . 21 D HB2 . 16824 1
211 . 1 1 21 21 ASP C C 13 177.528 . . 1 . . . . 21 D C . 16824 1
212 . 1 1 21 21 ASP CA C 13 52.520 . . 1 . . . . 21 D CA . 16824 1
213 . 1 1 21 21 ASP CB C 13 39.760 . . 1 . . . . 21 D CB . 16824 1
214 . 1 1 21 21 ASP N N 15 119.530 . . 1 . . . . 21 D N . 16824 1
215 . 1 1 22 22 VAL H H 1 8.110 . . 1 . . . . 22 V HN . 16824 1
216 . 1 1 22 22 VAL HA H 1 3.761 . . 1 . . . . 22 V HA . 16824 1
217 . 1 1 22 22 VAL HB H 1 2.239 . . 1 . . . . 22 V HB . 16824 1
218 . 1 1 22 22 VAL HG11 H 1 1.036 . . 2 . . . . 22 V HG11 . 16824 1
219 . 1 1 22 22 VAL HG12 H 1 1.036 . . 2 . . . . 22 V HG11 . 16824 1
220 . 1 1 22 22 VAL HG13 H 1 1.036 . . 2 . . . . 22 V HG11 . 16824 1
221 . 1 1 22 22 VAL HG21 H 1 1.012 . . 2 . . . . 22 V HG21 . 16824 1
222 . 1 1 22 22 VAL HG22 H 1 1.012 . . 2 . . . . 22 V HG21 . 16824 1
223 . 1 1 22 22 VAL HG23 H 1 1.012 . . 2 . . . . 22 V HG21 . 16824 1
224 . 1 1 22 22 VAL C C 13 176.869 . . 1 . . . . 22 V C . 16824 1
225 . 1 1 22 22 VAL CA C 13 65.150 . . 1 . . . . 22 V CA . 16824 1
226 . 1 1 22 22 VAL CB C 13 31.470 . . 1 . . . . 22 V CB . 16824 1
227 . 1 1 22 22 VAL CG1 C 13 22.318 . . 2 . . . . 22 V CG1 . 16824 1
228 . 1 1 22 22 VAL CG2 C 13 20.389 . . 2 . . . . 22 V CG2 . 16824 1
229 . 1 1 22 22 VAL N N 15 122.440 . . 1 . . . . 22 V N . 16824 1
230 . 1 1 23 23 ASN H H 1 8.360 . . 1 . . . . 23 N HN . 16824 1
231 . 1 1 23 23 ASN HA H 1 4.647 . . 1 . . . . 23 N HA . 16824 1
232 . 1 1 23 23 ASN HB2 H 1 2.822 . . 2 . . . . 23 N HB1 . 16824 1
233 . 1 1 23 23 ASN HB3 H 1 2.824 . . 2 . . . . 23 N HB2 . 16824 1
234 . 1 1 23 23 ASN HD21 H 1 7.790 . . 2 . . . . 23 N HD21 . 16824 1
235 . 1 1 23 23 ASN HD22 H 1 7.010 . . 2 . . . . 23 N HD22 . 16824 1
236 . 1 1 23 23 ASN C C 13 175.608 . . 1 . . . . 23 N C . 16824 1
237 . 1 1 23 23 ASN CA C 13 54.940 . . 1 . . . . 23 N CA . 16824 1
238 . 1 1 23 23 ASN CB C 13 38.670 . . 1 . . . . 23 N CB . 16824 1
239 . 1 1 23 23 ASN N N 15 117.200 . . 1 . . . . 23 N N . 16824 1
240 . 1 1 23 23 ASN ND2 N 15 114.300 . . 1 . . . . 23 N ND2 . 16824 1
241 . 1 1 24 24 ASN H H 1 7.590 . . 1 . . . . 24 N HN . 16824 1
242 . 1 1 24 24 ASN HA H 1 5.011 . . 1 . . . . 24 N HA . 16824 1
243 . 1 1 24 24 ASN HB2 H 1 2.930 . . 2 . . . . 24 N HB1 . 16824 1
244 . 1 1 24 24 ASN HB3 H 1 2.392 . . 2 . . . . 24 N HB2 . 16824 1
245 . 1 1 24 24 ASN HD21 H 1 8.280 . . 2 . . . . 24 N HD21 . 16824 1
246 . 1 1 24 24 ASN HD22 H 1 6.870 . . 2 . . . . 24 N HD22 . 16824 1
247 . 1 1 24 24 ASN C C 13 173.895 . . 1 . . . . 24 N C . 16824 1
248 . 1 1 24 24 ASN CA C 13 52.390 . . 1 . . . . 24 N CA . 16824 1
249 . 1 1 24 24 ASN CB C 13 39.850 . . 1 . . . . 24 N CB . 16824 1
250 . 1 1 24 24 ASN N N 15 117.390 . . 1 . . . . 24 N N . 16824 1
251 . 1 1 24 24 ASN ND2 N 15 115.800 . . 1 . . . . 24 N ND2 . 16824 1
252 . 1 1 25 25 LEU H H 1 7.310 . . 1 . . . . 25 L HN . 16824 1
253 . 1 1 25 25 LEU HA H 1 4.405 . . 1 . . . . 25 L HA . 16824 1
254 . 1 1 25 25 LEU HB2 H 1 1.487 . . 2 . . . . 25 L HB1 . 16824 1
255 . 1 1 25 25 LEU HB3 H 1 1.721 . . 2 . . . . 25 L HB2 . 16824 1
256 . 1 1 25 25 LEU HD11 H 1 0.958 . . 4 . . . . 25 L HD11 . 16824 1
257 . 1 1 25 25 LEU HD12 H 1 0.958 . . 4 . . . . 25 L HD11 . 16824 1
258 . 1 1 25 25 LEU HD13 H 1 0.958 . . 4 . . . . 25 L HD11 . 16824 1
259 . 1 1 25 25 LEU HD21 H 1 1.019 . . 4 . . . . 25 L HD21 . 16824 1
260 . 1 1 25 25 LEU HD22 H 1 1.019 . . 4 . . . . 25 L HD21 . 16824 1
261 . 1 1 25 25 LEU HD23 H 1 1.019 . . 4 . . . . 25 L HD21 . 16824 1
262 . 1 1 25 25 LEU HG H 1 2.011 . . 1 . . . . 25 L HG . 16824 1
263 . 1 1 25 25 LEU C C 13 176.635 . . 1 . . . . 25 L C . 16824 1
264 . 1 1 25 25 LEU CA C 13 54.880 . . 1 . . . . 25 L CA . 16824 1
265 . 1 1 25 25 LEU CB C 13 43.980 . . 1 . . . . 25 L CB . 16824 1
266 . 1 1 25 25 LEU CD1 C 13 25.312 . . 1 . . . . 25 L CD1 . 16824 1
267 . 1 1 25 25 LEU CD2 C 13 25.564 . . 1 . . . . 25 L CD2 . 16824 1
268 . 1 1 25 25 LEU CG C 13 26.240 . . 1 . . . . 25 L CG . 16824 1
269 . 1 1 25 25 LEU N N 15 121.570 . . 1 . . . . 25 L N . 16824 1
270 . 1 1 26 26 ASP H H 1 8.640 . . 1 . . . . 26 D HN . 16824 1
271 . 1 1 26 26 ASP HA H 1 4.726 . . 1 . . . . 26 D HA . 16824 1
272 . 1 1 26 26 ASP HB2 H 1 2.844 . . 2 . . . . 26 D HB1 . 16824 1
273 . 1 1 26 26 ASP HB3 H 1 2.430 . . 2 . . . . 26 D HB2 . 16824 1
274 . 1 1 26 26 ASP CA C 13 52.900 . . 1 . . . . 26 D CA . 16824 1
275 . 1 1 26 26 ASP CB C 13 43.180 . . 1 . . . . 26 D CB . 16824 1
276 . 1 1 26 26 ASP N N 15 126.370 . . 1 . . . . 26 D N . 16824 1
277 . 1 1 27 27 PRO HA H 1 4.177 . . 1 . . . . 27 P HA . 16824 1
278 . 1 1 27 27 PRO HB2 H 1 2.382 . . 2 . . . . 27 P HB1 . 16824 1
279 . 1 1 27 27 PRO HB3 H 1 1.985 . . 2 . . . . 27 P HB2 . 16824 1
280 . 1 1 27 27 PRO HD2 H 1 3.899 . . 2 . . . . 27 P HD1 . 16824 1
281 . 1 1 27 27 PRO HD3 H 1 3.774 . . 2 . . . . 27 P HD2 . 16824 1
282 . 1 1 27 27 PRO HG2 H 1 2.074 . . 2 . . . . 27 P HG1 . 16824 1
283 . 1 1 27 27 PRO C C 13 179.309 . . 1 . . . . 27 P C . 16824 1
284 . 1 1 27 27 PRO CA C 13 65.530 . . 1 . . . . 27 P CA . 16824 1
285 . 1 1 27 27 PRO CB C 13 32.373 . . 1 . . . . 27 P CB . 16824 1
286 . 1 1 27 27 PRO CD C 13 51.050 . . 1 . . . . 27 P CD . 16824 1
287 . 1 1 27 27 PRO CG C 13 27.696 . . 1 . . . . 27 P CG . 16824 1
288 . 1 1 28 28 ASP H H 1 8.550 . . 1 . . . . 28 D HN . 16824 1
289 . 1 1 28 28 ASP HA H 1 4.566 . . 1 . . . . 28 D HA . 16824 1
290 . 1 1 28 28 ASP HB2 H 1 2.442 . . 2 . . . . 28 D HB1 . 16824 1
291 . 1 1 28 28 ASP HB3 H 1 2.614 . . 2 . . . . 28 D HB2 . 16824 1
292 . 1 1 28 28 ASP C C 13 178.681 . . 1 . . . . 28 D C . 16824 1
293 . 1 1 28 28 ASP CA C 13 57.650 . . 1 . . . . 28 D CA . 16824 1
294 . 1 1 28 28 ASP CB C 13 39.930 . . 1 . . . . 28 D CB . 16824 1
295 . 1 1 28 28 ASP N N 15 118.620 . . 1 . . . . 28 D N . 16824 1
296 . 1 1 29 29 LEU H H 1 7.660 . . 1 . . . . 29 L HN . 16824 1
297 . 1 1 29 29 LEU HA H 1 3.596 . . 1 . . . . 29 L HA . 16824 1
298 . 1 1 29 29 LEU HB2 H 1 1.684 . . 2 . . . . 29 L HB1 . 16824 1
299 . 1 1 29 29 LEU HB3 H 1 0.988 . . 2 . . . . 29 L HB2 . 16824 1
300 . 1 1 29 29 LEU HD11 H 1 0.621 . . 2 . . . . 29 L HD11 . 16824 1
301 . 1 1 29 29 LEU HD12 H 1 0.621 . . 2 . . . . 29 L HD11 . 16824 1
302 . 1 1 29 29 LEU HD13 H 1 0.621 . . 2 . . . . 29 L HD11 . 16824 1
303 . 1 1 29 29 LEU HD21 H 1 0.943 . . 2 . . . . 29 L HD21 . 16824 1
304 . 1 1 29 29 LEU HD22 H 1 0.943 . . 2 . . . . 29 L HD21 . 16824 1
305 . 1 1 29 29 LEU HD23 H 1 0.943 . . 2 . . . . 29 L HD21 . 16824 1
306 . 1 1 29 29 LEU HG H 1 1.407 . . 1 . . . . 29 L HG . 16824 1
307 . 1 1 29 29 LEU C C 13 177.244 . . 1 . . . . 29 L C . 16824 1
308 . 1 1 29 29 LEU CA C 13 56.800 . . 1 . . . . 29 L CA . 16824 1
309 . 1 1 29 29 LEU CB C 13 40.280 . . 1 . . . . 29 L CB . 16824 1
310 . 1 1 29 29 LEU CD1 C 13 22.903 . . 2 . . . . 29 L CD1 . 16824 1
311 . 1 1 29 29 LEU CD2 C 13 25.577 . . 2 . . . . 29 L CD2 . 16824 1
312 . 1 1 29 29 LEU CG C 13 26.372 . . 1 . . . . 29 L CG . 16824 1
313 . 1 1 29 29 LEU N N 15 119.980 . . 1 . . . . 29 L N . 16824 1
314 . 1 1 30 30 ARG H H 1 8.280 . . 1 . . . . 30 R HN . 16824 1
315 . 1 1 30 30 ARG HA H 1 3.733 . . 1 . . . . 30 R HA . 16824 1
316 . 1 1 30 30 ARG HB2 H 1 1.919 . . 2 . . . . 30 R HB1 . 16824 1
317 . 1 1 30 30 ARG HB3 H 1 1.744 . . 2 . . . . 30 R HB2 . 16824 1
318 . 1 1 30 30 ARG HD2 H 1 3.192 . . 2 . . . . 30 R HD1 . 16824 1
319 . 1 1 30 30 ARG HD3 H 1 3.304 . . 2 . . . . 30 R HD2 . 16824 1
320 . 1 1 30 30 ARG HG2 H 1 1.580 . . 2 . . . . 30 R HG1 . 16824 1
321 . 1 1 30 30 ARG HG3 H 1 1.690 . . 2 . . . . 30 R HG2 . 16824 1
322 . 1 1 30 30 ARG C C 13 179.313 . . 1 . . . . 30 R C . 16824 1
323 . 1 1 30 30 ARG CA C 13 60.090 . . 1 . . . . 30 R CA . 16824 1
324 . 1 1 30 30 ARG CB C 13 29.750 . . 1 . . . . 30 R CB . 16824 1
325 . 1 1 30 30 ARG CD C 13 43.357 . . 1 . . . . 30 R CD . 16824 1
326 . 1 1 30 30 ARG CG C 13 27.576 . . 1 . . . . 30 R CG . 16824 1
327 . 1 1 30 30 ARG N N 15 117.550 . . 1 . . . . 30 R N . 16824 1
328 . 1 1 31 31 SER H H 1 7.730 . . 1 . . . . 31 S HN . 16824 1
329 . 1 1 31 31 SER HA H 1 4.230 . . 1 . . . . 31 S HA . 16824 1
330 . 1 1 31 31 SER HB2 H 1 4.000 . . 2 . . . . 31 S HB1 . 16824 1
331 . 1 1 31 31 SER HB3 H 1 3.956 . . 2 . . . . 31 S HB2 . 16824 1
332 . 1 1 31 31 SER C C 13 176.073 . . 1 . . . . 31 S C . 16824 1
333 . 1 1 31 31 SER CA C 13 61.300 . . 1 . . . . 31 S CA . 16824 1
334 . 1 1 31 31 SER CB C 13 62.590 . . 1 . . . . 31 S CB . 16824 1
335 . 1 1 31 31 SER N N 15 113.840 . . 1 . . . . 31 S N . 16824 1
336 . 1 1 32 32 LEU H H 1 7.740 . . 1 . . . . 32 L HN . 16824 1
337 . 1 1 32 32 LEU HA H 1 3.916 . . 1 . . . . 32 L HA . 16824 1
338 . 1 1 32 32 LEU HB2 H 1 1.722 . . 2 . . . . 32 L HB1 . 16824 1
339 . 1 1 32 32 LEU HB3 H 1 1.567 . . 2 . . . . 32 L HB2 . 16824 1
340 . 1 1 32 32 LEU HD11 H 1 0.729 . . 2 . . . . 32 L HD11 . 16824 1
341 . 1 1 32 32 LEU HD12 H 1 0.729 . . 2 . . . . 32 L HD11 . 16824 1
342 . 1 1 32 32 LEU HD13 H 1 0.729 . . 2 . . . . 32 L HD11 . 16824 1
343 . 1 1 32 32 LEU HD21 H 1 0.900 . . 2 . . . . 32 L HD21 . 16824 1
344 . 1 1 32 32 LEU HD22 H 1 0.900 . . 2 . . . . 32 L HD21 . 16824 1
345 . 1 1 32 32 LEU HD23 H 1 0.900 . . 2 . . . . 32 L HD21 . 16824 1
346 . 1 1 32 32 LEU HG H 1 1.363 . . 1 . . . . 32 L HG . 16824 1
347 . 1 1 32 32 LEU C C 13 177.798 . . 1 . . . . 32 L C . 16824 1
348 . 1 1 32 32 LEU CA C 13 58.630 . . 1 . . . . 32 L CA . 16824 1
349 . 1 1 32 32 LEU CB C 13 40.790 . . 1 . . . . 32 L CB . 16824 1
350 . 1 1 32 32 LEU CD1 C 13 25.680 . . 2 . . . . 32 L CD1 . 16824 1
351 . 1 1 32 32 LEU CD2 C 13 23.435 . . 2 . . . . 32 L CD2 . 16824 1
352 . 1 1 32 32 LEU CG C 13 27.584 . . 1 . . . . 32 L CG . 16824 1
353 . 1 1 32 32 LEU N N 15 123.630 . . 1 . . . . 32 L N . 16824 1
354 . 1 1 33 33 PHE H H 1 8.380 . . 1 . . . . 33 F HN . 16824 1
355 . 1 1 33 33 PHE HA H 1 4.453 . . 1 . . . . 33 F HA . 16824 1
356 . 1 1 33 33 PHE HB2 H 1 3.170 . . 2 . . . . 33 F HB1 . 16824 1
357 . 1 1 33 33 PHE HB3 H 1 3.109 . . 2 . . . . 33 F HB2 . 16824 1
358 . 1 1 33 33 PHE HD1 H 1 6.776 . . 3 . . . . 33 F HD1 . 16824 1
359 . 1 1 33 33 PHE HD2 H 1 6.776 . . 3 . . . . 33 F HD2 . 16824 1
360 . 1 1 33 33 PHE HE1 H 1 6.623 . . 3 . . . . 33 F HE1 . 16824 1
361 . 1 1 33 33 PHE HE2 H 1 6.623 . . 3 . . . . 33 F HE2 . 16824 1
362 . 1 1 33 33 PHE HZ H 1 6.430 . . 1 . . . . 33 F HZ . 16824 1
363 . 1 1 33 33 PHE C C 13 178.011 . . 1 . . . . 33 F C . 16824 1
364 . 1 1 33 33 PHE CA C 13 57.410 . . 1 . . . . 33 F CA . 16824 1
365 . 1 1 33 33 PHE CB C 13 36.150 . . 1 . . . . 33 F CB . 16824 1
366 . 1 1 33 33 PHE CD1 C 13 130.000 . . 3 . . . . 33 F CD1 . 16824 1
367 . 1 1 33 33 PHE CD2 C 13 130.200 . . 3 . . . . 33 F CD2 . 16824 1
368 . 1 1 33 33 PHE CE1 C 13 130.200 . . 3 . . . . 33 F CE1 . 16824 1
369 . 1 1 33 33 PHE CE2 C 13 130.000 . . 3 . . . . 33 F CE2 . 16824 1
370 . 1 1 33 33 PHE CZ C 13 128.625 . . 1 . . . . 33 F CZ . 16824 1
371 . 1 1 33 33 PHE N N 15 116.010 . . 1 . . . . 33 F N . 16824 1
372 . 1 1 34 34 SER H H 1 8.220 . . 1 . . . . 34 S HN . 16824 1
373 . 1 1 34 34 SER HA H 1 4.397 . . 1 . . . . 34 S HA . 16824 1
374 . 1 1 34 34 SER HB2 H 1 4.087 . . 2 . . . . 34 S HB1 . 16824 1
375 . 1 1 34 34 SER HB3 H 1 4.053 . . 2 . . . . 34 S HB2 . 16824 1
376 . 1 1 34 34 SER C C 13 178.630 . . 1 . . . . 34 S C . 16824 1
377 . 1 1 34 34 SER CA C 13 61.430 . . 1 . . . . 34 S CA . 16824 1
378 . 1 1 34 34 SER CB C 13 62.570 . . 1 . . . . 34 S CB . 16824 1
379 . 1 1 34 34 SER N N 15 114.260 . . 1 . . . . 34 S N . 16824 1
380 . 1 1 35 35 ARG H H 1 8.420 . . 1 . . . . 35 R HN . 16824 1
381 . 1 1 35 35 ARG HA H 1 4.118 . . 1 . . . . 35 R HA . 16824 1
382 . 1 1 35 35 ARG HB2 H 1 1.923 . . 2 . . . . 35 R HB1 . 16824 1
383 . 1 1 35 35 ARG HB3 H 1 1.855 . . 2 . . . . 35 R HB2 . 16824 1
384 . 1 1 35 35 ARG HD2 H 1 3.154 . . 2 . . . . 35 R HD1 . 16824 1
385 . 1 1 35 35 ARG HD3 H 1 3.156 . . 2 . . . . 35 R HD2 . 16824 1
386 . 1 1 35 35 ARG HG2 H 1 1.711 . . 2 . . . . 35 R HG1 . 16824 1
387 . 1 1 35 35 ARG HG3 H 1 1.883 . . 2 . . . . 35 R HG2 . 16824 1
388 . 1 1 35 35 ARG C C 13 177.647 . . 1 . . . . 35 R C . 16824 1
389 . 1 1 35 35 ARG CA C 13 59.030 . . 1 . . . . 35 R CA . 16824 1
390 . 1 1 35 35 ARG CB C 13 30.130 . . 1 . . . . 35 R CB . 16824 1
391 . 1 1 35 35 ARG CD C 13 43.663 . . 1 . . . . 35 R CD . 16824 1
392 . 1 1 35 35 ARG CG C 13 27.838 . . 1 . . . . 35 R CG . 16824 1
393 . 1 1 35 35 ARG N N 15 122.540 . . 1 . . . . 35 R N . 16824 1
394 . 1 1 36 36 ALA H H 1 8.020 . . 1 . . . . 36 A HN . 16824 1
395 . 1 1 36 36 ALA HA H 1 4.471 . . 1 . . . . 36 A HA . 16824 1
396 . 1 1 36 36 ALA HB1 H 1 1.513 . . 1 . . . . 36 A HB1 . 16824 1
397 . 1 1 36 36 ALA HB2 H 1 1.513 . . 1 . . . . 36 A HB1 . 16824 1
398 . 1 1 36 36 ALA HB3 H 1 1.513 . . 1 . . . . 36 A HB1 . 16824 1
399 . 1 1 36 36 ALA C C 13 175.590 . . 1 . . . . 36 A C . 16824 1
400 . 1 1 36 36 ALA CA C 13 52.080 . . 1 . . . . 36 A CA . 16824 1
401 . 1 1 36 36 ALA CB C 13 19.670 . . 1 . . . . 36 A CB . 16824 1
402 . 1 1 36 36 ALA N N 15 118.890 . . 1 . . . . 36 A N . 16824 1
403 . 1 1 37 37 GLY H H 1 7.600 . . 1 . . . . 37 G HN . 16824 1
404 . 1 1 37 37 GLY HA2 H 1 3.727 . . 2 . . . . 37 G HA1 . 16824 1
405 . 1 1 37 37 GLY HA3 H 1 4.076 . . 2 . . . . 37 G HA2 . 16824 1
406 . 1 1 37 37 GLY C C 13 174.122 . . 1 . . . . 37 G C . 16824 1
407 . 1 1 37 37 GLY CA C 13 46.410 . . 1 . . . . 37 G CA . 16824 1
408 . 1 1 37 37 GLY N N 15 104.900 . . 1 . . . . 37 G N . 16824 1
409 . 1 1 38 38 ILE H H 1 7.960 . . 1 . . . . 38 I HN . 16824 1
410 . 1 1 38 38 ILE HA H 1 4.287 . . 1 . . . . 38 I HA . 16824 1
411 . 1 1 38 38 ILE HB H 1 1.588 . . 1 . . . . 38 I HB . 16824 1
412 . 1 1 38 38 ILE HD11 H 1 0.611 . . 1 . . . . 38 I HD11 . 16824 1
413 . 1 1 38 38 ILE HD12 H 1 0.611 . . 1 . . . . 38 I HD11 . 16824 1
414 . 1 1 38 38 ILE HD13 H 1 0.611 . . 1 . . . . 38 I HD11 . 16824 1
415 . 1 1 38 38 ILE HG12 H 1 0.924 . . 1 . . . . 38 I HG11 . 16824 1
416 . 1 1 38 38 ILE HG13 H 1 1.424 . . 1 . . . . 38 I HG12 . 16824 1
417 . 1 1 38 38 ILE HG21 H 1 0.663 . . 2 . . . . 38 I HG21 . 16824 1
418 . 1 1 38 38 ILE HG22 H 1 0.663 . . 2 . . . . 38 I HG21 . 16824 1
419 . 1 1 38 38 ILE HG23 H 1 0.663 . . 2 . . . . 38 I HG21 . 16824 1
420 . 1 1 38 38 ILE C C 13 176.096 . . 1 . . . . 38 I C . 16824 1
421 . 1 1 38 38 ILE CA C 13 59.990 . . 1 . . . . 38 I CA . 16824 1
422 . 1 1 38 38 ILE CB C 13 38.510 . . 1 . . . . 38 I CB . 16824 1
423 . 1 1 38 38 ILE CD1 C 13 13.479 . . 1 . . . . 38 I CD1 . 16824 1
424 . 1 1 38 38 ILE CG1 C 13 27.916 . . 2 . . . . 38 I CG1 . 16824 1
425 . 1 1 38 38 ILE CG2 C 13 17.613 . . 2 . . . . 38 I CG2 . 16824 1
426 . 1 1 38 38 ILE N N 15 121.110 . . 1 . . . . 38 I N . 16824 1
427 . 1 1 39 39 SER H H 1 8.820 . . 1 . . . . 39 S HN . 16824 1
428 . 1 1 39 39 SER HA H 1 4.644 . . 1 . . . . 39 S HA . 16824 1
429 . 1 1 39 39 SER HB2 H 1 3.844 . . 2 . . . . 39 S HB1 . 16824 1
430 . 1 1 39 39 SER HB3 H 1 4.376 . . 2 . . . . 39 S HB2 . 16824 1
431 . 1 1 39 39 SER C C 13 175.150 . . 1 . . . . 39 S C . 16824 1
432 . 1 1 39 39 SER CA C 13 56.710 . . 1 . . . . 39 S CA . 16824 1
433 . 1 1 39 39 SER CB C 13 66.130 . . 1 . . . . 39 S CB . 16824 1
434 . 1 1 39 39 SER N N 15 124.030 . . 1 . . . . 39 S N . 16824 1
435 . 1 1 40 40 GLU H H 1 9.000 . . 1 . . . . 40 E HN . 16824 1
436 . 1 1 40 40 GLU HA H 1 3.869 . . 1 . . . . 40 E HA . 16824 1
437 . 1 1 40 40 GLU HB2 H 1 2.090 . . 2 . . . . 40 E HB1 . 16824 1
438 . 1 1 40 40 GLU HB3 H 1 2.100 . . 2 . . . . 40 E HB2 . 16824 1
439 . 1 1 40 40 GLU HG2 H 1 2.289 . . 2 . . . . 40 E HG1 . 16824 1
440 . 1 1 40 40 GLU HG3 H 1 2.424 . . 2 . . . . 40 E HG2 . 16824 1
441 . 1 1 40 40 GLU C C 13 178.614 . . 1 . . . . 40 E C . 16824 1
442 . 1 1 40 40 GLU CA C 13 60.640 . . 1 . . . . 40 E CA . 16824 1
443 . 1 1 40 40 GLU CB C 13 29.170 . . 1 . . . . 40 E CB . 16824 1
444 . 1 1 40 40 GLU CG C 13 37.480 . . 1 . . . . 40 E CG . 16824 1
445 . 1 1 40 40 GLU N N 15 120.850 . . 1 . . . . 40 E N . 16824 1
446 . 1 1 41 41 ALA H H 1 8.160 . . 1 . . . . 41 A HN . 16824 1
447 . 1 1 41 41 ALA HA H 1 4.121 . . 1 . . . . 41 A HA . 16824 1
448 . 1 1 41 41 ALA HB1 H 1 1.408 . . 1 . . . . 41 A HB1 . 16824 1
449 . 1 1 41 41 ALA HB2 H 1 1.408 . . 1 . . . . 41 A HB1 . 16824 1
450 . 1 1 41 41 ALA HB3 H 1 1.408 . . 1 . . . . 41 A HB1 . 16824 1
451 . 1 1 41 41 ALA C C 13 180.477 . . 1 . . . . 41 A C . 16824 1
452 . 1 1 41 41 ALA CA C 13 54.680 . . 1 . . . . 41 A CA . 16824 1
453 . 1 1 41 41 ALA CB C 13 18.189 . . 1 . . . . 41 A CB . 16824 1
454 . 1 1 41 41 ALA N N 15 119.930 . . 1 . . . . 41 A N . 16824 1
455 . 1 1 42 42 GLN H H 1 7.520 . . 1 . . . . 42 Q HN . 16824 1
456 . 1 1 42 42 GLN HA H 1 4.046 . . 1 . . . . 42 Q HA . 16824 1
457 . 1 1 42 42 GLN HB2 H 1 2.551 . . 2 . . . . 42 Q HB1 . 16824 1
458 . 1 1 42 42 GLN HB3 H 1 1.648 . . 2 . . . . 42 Q HB2 . 16824 1
459 . 1 1 42 42 GLN HE21 H 1 7.510 . . 2 . . . . 42 Q HE21 . 16824 1
460 . 1 1 42 42 GLN HE22 H 1 6.840 . . 2 . . . . 42 Q HE22 . 16824 1
461 . 1 1 42 42 GLN HG2 H 1 2.550 . . 2 . . . . 42 Q HG1 . 16824 1
462 . 1 1 42 42 GLN HG3 H 1 2.379 . . 2 . . . . 42 Q HG2 . 16824 1
463 . 1 1 42 42 GLN C C 13 177.259 . . 1 . . . . 42 Q C . 16824 1
464 . 1 1 42 42 GLN CA C 13 59.100 . . 1 . . . . 42 Q CA . 16824 1
465 . 1 1 42 42 GLN CB C 13 29.920 . . 1 . . . . 42 Q CB . 16824 1
466 . 1 1 42 42 GLN CG C 13 35.903 . . 1 . . . . 42 Q CG . 16824 1
467 . 1 1 42 42 GLN N N 15 117.210 . . 1 . . . . 42 Q N . 16824 1
468 . 1 1 42 42 GLN NE2 N 15 110.800 . . 1 . . . . 42 Q NE2 . 16824 1
469 . 1 1 43 43 LEU H H 1 7.500 . . 1 . . . . 43 L HN . 16824 1
470 . 1 1 43 43 LEU HA H 1 4.007 . . 1 . . . . 43 L HA . 16824 1
471 . 1 1 43 43 LEU HB2 H 1 2.118 . . 2 . . . . 43 L HB1 . 16824 1
472 . 1 1 43 43 LEU HB3 H 1 1.440 . . 2 . . . . 43 L HB2 . 16824 1
473 . 1 1 43 43 LEU HD11 H 1 0.672 . . 4 . . . . 43 L HD11 . 16824 1
474 . 1 1 43 43 LEU HD12 H 1 0.672 . . 4 . . . . 43 L HD11 . 16824 1
475 . 1 1 43 43 LEU HD13 H 1 0.672 . . 4 . . . . 43 L HD11 . 16824 1
476 . 1 1 43 43 LEU HD21 H 1 -0.137 . . 4 . . . . 43 L HD21 . 16824 1
477 . 1 1 43 43 LEU HD22 H 1 -0.137 . . 4 . . . . 43 L HD21 . 16824 1
478 . 1 1 43 43 LEU HD23 H 1 -0.137 . . 4 . . . . 43 L HD21 . 16824 1
479 . 1 1 43 43 LEU HG H 1 1.678 . . 1 . . . . 43 L HG . 16824 1
480 . 1 1 43 43 LEU C C 13 177.590 . . 1 . . . . 43 L C . 16824 1
481 . 1 1 43 43 LEU CA C 13 56.610 . . 1 . . . . 43 L CA . 16824 1
482 . 1 1 43 43 LEU CB C 13 42.270 . . 1 . . . . 43 L CB . 16824 1
483 . 1 1 43 43 LEU CD1 C 13 25.800 . . 1 . . . . 43 L CD1 . 16824 1
484 . 1 1 43 43 LEU CD2 C 13 23.066 . . 1 . . . . 43 L CD2 . 16824 1
485 . 1 1 43 43 LEU CG C 13 25.978 . . 1 . . . . 43 L CG . 16824 1
486 . 1 1 43 43 LEU N N 15 114.580 . . 1 . . . . 43 L N . 16824 1
487 . 1 1 44 44 THR H H 1 7.560 . . 1 . . . . 44 T HN . 16824 1
488 . 1 1 44 44 THR HA H 1 4.752 . . 1 . . . . 44 T HA . 16824 1
489 . 1 1 44 44 THR HB H 1 4.621 . . 1 . . . . 44 T HB . 16824 1
490 . 1 1 44 44 THR HG21 H 1 1.443 . . 1 . . . . 44 T HG21 . 16824 1
491 . 1 1 44 44 THR HG22 H 1 1.443 . . 1 . . . . 44 T HG21 . 16824 1
492 . 1 1 44 44 THR HG23 H 1 1.443 . . 1 . . . . 44 T HG21 . 16824 1
493 . 1 1 44 44 THR C C 13 173.311 . . 1 . . . . 44 T C . 16824 1
494 . 1 1 44 44 THR CA C 13 61.380 . . 1 . . . . 44 T CA . 16824 1
495 . 1 1 44 44 THR CB C 13 69.250 . . 1 . . . . 44 T CB . 16824 1
496 . 1 1 44 44 THR CG2 C 13 21.873 . . 1 . . . . 44 T CG2 . 16824 1
497 . 1 1 44 44 THR N N 15 106.040 . . 1 . . . . 44 T N . 16824 1
498 . 1 1 45 45 ASP H H 1 7.190 . . 1 . . . . 45 D HN . 16824 1
499 . 1 1 45 45 ASP HA H 1 4.762 . . 1 . . . . 45 D HA . 16824 1
500 . 1 1 45 45 ASP HB2 H 1 3.019 . . 2 . . . . 45 D HB1 . 16824 1
501 . 1 1 45 45 ASP HB3 H 1 2.942 . . 2 . . . . 45 D HB2 . 16824 1
502 . 1 1 45 45 ASP C C 13 177.441 . . 1 . . . . 45 D C . 16824 1
503 . 1 1 45 45 ASP CA C 13 53.740 . . 1 . . . . 45 D CA . 16824 1
504 . 1 1 45 45 ASP CB C 13 43.570 . . 1 . . . . 45 D CB . 16824 1
505 . 1 1 45 45 ASP N N 15 123.530 . . 1 . . . . 45 D N . 16824 1
506 . 1 1 46 46 ALA H H 1 9.220 . . 1 . . . . 46 A HN . 16824 1
507 . 1 1 46 46 ALA HA H 1 3.811 . . 1 . . . . 46 A HA . 16824 1
508 . 1 1 46 46 ALA HB1 H 1 1.531 . . 1 . . . . 46 A HB1 . 16824 1
509 . 1 1 46 46 ALA HB2 H 1 1.531 . . 1 . . . . 46 A HB1 . 16824 1
510 . 1 1 46 46 ALA HB3 H 1 1.531 . . 1 . . . . 46 A HB1 . 16824 1
511 . 1 1 46 46 ALA C C 13 179.666 . . 1 . . . . 46 A C . 16824 1
512 . 1 1 46 46 ALA CA C 13 56.800 . . 1 . . . . 46 A CA . 16824 1
513 . 1 1 46 46 ALA CB C 13 18.570 . . 1 . . . . 46 A CB . 16824 1
514 . 1 1 46 46 ALA N N 15 105.700 . . 1 . . . . 46 A N . 16824 1
515 . 1 1 47 47 GLU H H 1 8.540 . . 1 . . . . 47 E HN . 16824 1
516 . 1 1 47 47 GLU HA H 1 4.191 . . 1 . . . . 47 E HA . 16824 1
517 . 1 1 47 47 GLU HB2 H 1 2.169 . . 2 . . . . 47 E HB1 . 16824 1
518 . 1 1 47 47 GLU HB3 H 1 2.171 . . 2 . . . . 47 E HB2 . 16824 1
519 . 1 1 47 47 GLU HG2 H 1 2.290 . . 2 . . . . 47 E HG1 . 16824 1
520 . 1 1 47 47 GLU HG3 H 1 2.397 . . 2 . . . . 47 E HG2 . 16824 1
521 . 1 1 47 47 GLU C C 13 179.522 . . 1 . . . . 47 E C . 16824 1
522 . 1 1 47 47 GLU CA C 13 59.610 . . 1 . . . . 47 E CA . 16824 1
523 . 1 1 47 47 GLU CB C 13 29.740 . . 1 . . . . 47 E CB . 16824 1
524 . 1 1 47 47 GLU CG C 13 36.611 . . 1 . . . . 47 E CG . 16824 1
525 . 1 1 47 47 GLU N N 15 117.610 . . 1 . . . . 47 E N . 16824 1
526 . 1 1 48 48 THR H H 1 8.820 . . 1 . . . . 48 T HN . 16824 1
527 . 1 1 48 48 THR HA H 1 3.815 . . 1 . . . . 48 T HA . 16824 1
528 . 1 1 48 48 THR HB H 1 4.582 . . 1 . . . . 48 T HB . 16824 1
529 . 1 1 48 48 THR HG21 H 1 1.171 . . 1 . . . . 48 T HG21 . 16824 1
530 . 1 1 48 48 THR HG22 H 1 1.171 . . 1 . . . . 48 T HG21 . 16824 1
531 . 1 1 48 48 THR HG23 H 1 1.171 . . 1 . . . . 48 T HG21 . 16824 1
532 . 1 1 48 48 THR C C 13 176.684 . . 1 . . . . 48 T C . 16824 1
533 . 1 1 48 48 THR CA C 13 67.230 . . 1 . . . . 48 T CA . 16824 1
534 . 1 1 48 48 THR CB C 13 67.780 . . 1 . . . . 48 T CB . 16824 1
535 . 1 1 48 48 THR CG2 C 13 22.404 . . 1 . . . . 48 T CG2 . 16824 1
536 . 1 1 48 48 THR N N 15 117.600 . . 1 . . . . 48 T N . 16824 1
537 . 1 1 49 49 SER H H 1 8.794 . . 1 . . . . 49 S HN . 16824 1
538 . 1 1 49 49 SER HA H 1 4.102 . . 1 . . . . 49 S HA . 16824 1
539 . 1 1 49 49 SER HB2 H 1 4.462 . . 2 . . . . 49 S HB2 . 16824 1
540 . 1 1 49 49 SER C C 13 176.076 . . 1 . . . . 49 S C . 16824 1
541 . 1 1 49 49 SER CA C 13 62.802 . . 1 . . . . 49 S CA . 16824 1
542 . 1 1 49 49 SER CB C 13 62.999 . . 1 . . . . 49 S CB . 16824 1
543 . 1 1 49 49 SER N N 15 116.094 . . 1 . . . . 49 S N . 16824 1
544 . 1 1 50 50 LYS H H 1 7.510 . . 1 . . . . 50 K HN . 16824 1
545 . 1 1 50 50 LYS HA H 1 3.742 . . 1 . . . . 50 K HA . 16824 1
546 . 1 1 50 50 LYS HB2 H 1 2.079 . . 2 . . . . 50 K HB1 . 16824 1
547 . 1 1 50 50 LYS HB3 H 1 2.172 . . 2 . . . . 50 K HB2 . 16824 1
548 . 1 1 50 50 LYS HD2 H 1 1.542 . . 2 . . . . 50 K HD1 . 16824 1
549 . 1 1 50 50 LYS HD3 H 1 1.831 . . 2 . . . . 50 K HD2 . 16824 1
550 . 1 1 50 50 LYS HE2 H 1 3.046 . . 2 . . . . 50 K HE2 . 16824 1
551 . 1 1 50 50 LYS HG2 H 1 1.388 . . 2 . . . . 50 K HG1 . 16824 1
552 . 1 1 50 50 LYS HG3 H 1 1.509 . . 2 . . . . 50 K HG2 . 16824 1
553 . 1 1 50 50 LYS C C 13 177.248 . . 1 . . . . 50 K C . 16824 1
554 . 1 1 50 50 LYS CA C 13 59.210 . . 1 . . . . 50 K CA . 16824 1
555 . 1 1 50 50 LYS CB C 13 32.340 . . 1 . . . . 50 K CB . 16824 1
556 . 1 1 50 50 LYS CD C 13 28.501 . . 1 . . . . 50 K CD . 16824 1
557 . 1 1 50 50 LYS CE C 13 42.560 . . 1 . . . . 50 K CE . 16824 1
558 . 1 1 50 50 LYS CG C 13 25.022 . . 1 . . . . 50 K CG . 16824 1
559 . 1 1 50 50 LYS N N 15 124.570 . . 1 . . . . 50 K N . 16824 1
560 . 1 1 51 51 LEU H H 1 7.290 . . 1 . . . . 51 L HN . 16824 1
561 . 1 1 51 51 LEU HA H 1 4.240 . . 1 . . . . 51 L HA . 16824 1
562 . 1 1 51 51 LEU HB2 H 1 2.110 . . 2 . . . . 51 L HB1 . 16824 1
563 . 1 1 51 51 LEU HB3 H 1 1.166 . . 2 . . . . 51 L HB2 . 16824 1
564 . 1 1 51 51 LEU HD11 H 1 0.720 . . 2 . . . . 51 L HD11 . 16824 1
565 . 1 1 51 51 LEU HD12 H 1 0.720 . . 2 . . . . 51 L HD11 . 16824 1
566 . 1 1 51 51 LEU HD13 H 1 0.720 . . 2 . . . . 51 L HD11 . 16824 1
567 . 1 1 51 51 LEU HD21 H 1 0.495 . . 4 . . . . 51 L HD21 . 16824 1
568 . 1 1 51 51 LEU HD22 H 1 0.495 . . 4 . . . . 51 L HD21 . 16824 1
569 . 1 1 51 51 LEU HD23 H 1 0.495 . . 4 . . . . 51 L HD21 . 16824 1
570 . 1 1 51 51 LEU HG H 1 1.784 . . 1 . . . . 51 L HG . 16824 1
571 . 1 1 51 51 LEU C C 13 180.726 . . 1 . . . . 51 L C . 16824 1
572 . 1 1 51 51 LEU CA C 13 57.760 . . 1 . . . . 51 L CA . 16824 1
573 . 1 1 51 51 LEU CB C 13 42.770 . . 1 . . . . 51 L CB . 16824 1
574 . 1 1 51 51 LEU CD1 C 13 26.636 . . 1 . . . . 51 L CD1 . 16824 1
575 . 1 1 51 51 LEU CD2 C 13 22.987 . . 1 . . . . 51 L CD2 . 16824 1
576 . 1 1 51 51 LEU CG C 13 26.946 . . 1 . . . . 51 L CG . 16824 1
577 . 1 1 51 51 LEU N N 15 117.280 . . 1 . . . . 51 L N . 16824 1
578 . 1 1 52 52 ILE H H 1 7.710 . . 1 . . . . 52 I HN . 16824 1
579 . 1 1 52 52 ILE HA H 1 3.553 . . 1 . . . . 52 I HA . 16824 1
580 . 1 1 52 52 ILE HB H 1 2.105 . . 1 . . . . 52 I HB . 16824 1
581 . 1 1 52 52 ILE HD11 H 1 0.542 . . 1 . . . . 52 I HD11 . 16824 1
582 . 1 1 52 52 ILE HD12 H 1 0.542 . . 1 . . . . 52 I HD11 . 16824 1
583 . 1 1 52 52 ILE HD13 H 1 0.542 . . 1 . . . . 52 I HD11 . 16824 1
584 . 1 1 52 52 ILE HG12 H 1 0.727 . . 1 . . . . 52 I HG11 . 16824 1
585 . 1 1 52 52 ILE HG13 H 1 2.044 . . 1 . . . . 52 I HG12 . 16824 1
586 . 1 1 52 52 ILE HG21 H 1 0.862 . . 2 . . . . 52 I HG21 . 16824 1
587 . 1 1 52 52 ILE HG22 H 1 0.862 . . 2 . . . . 52 I HG21 . 16824 1
588 . 1 1 52 52 ILE HG23 H 1 0.862 . . 2 . . . . 52 I HG21 . 16824 1
589 . 1 1 52 52 ILE C C 13 176.675 . . 1 . . . . 52 I C . 16824 1
590 . 1 1 52 52 ILE CA C 13 65.790 . . 1 . . . . 52 I CA . 16824 1
591 . 1 1 52 52 ILE CB C 13 38.530 . . 1 . . . . 52 I CB . 16824 1
592 . 1 1 52 52 ILE CD1 C 13 14.673 . . 1 . . . . 52 I CD1 . 16824 1
593 . 1 1 52 52 ILE CG1 C 13 30.037 . . 2 . . . . 52 I CG1 . 16824 1
594 . 1 1 52 52 ILE CG2 C 13 19.045 . . 2 . . . . 52 I CG2 . 16824 1
595 . 1 1 52 52 ILE N N 15 119.480 . . 1 . . . . 52 I N . 16824 1
596 . 1 1 53 53 TYR H H 1 8.820 . . 1 . . . . 53 Y HN . 16824 1
597 . 1 1 53 53 TYR HA H 1 3.863 . . 1 . . . . 53 Y HA . 16824 1
598 . 1 1 53 53 TYR HB2 H 1 2.270 . . 2 . . . . 53 Y HB1 . 16824 1
599 . 1 1 53 53 TYR HB3 H 1 1.930 . . 2 . . . . 53 Y HB2 . 16824 1
600 . 1 1 53 53 TYR HD1 H 1 6.517 . . 3 . . . . 53 Y HD1 . 16824 1
601 . 1 1 53 53 TYR HD2 H 1 6.517 . . 3 . . . . 53 Y HD2 . 16824 1
602 . 1 1 53 53 TYR HE1 H 1 6.687 . . 3 . . . . 53 Y HE1 . 16824 1
603 . 1 1 53 53 TYR HE2 H 1 6.687 . . 3 . . . . 53 Y HE2 . 16824 1
604 . 1 1 53 53 TYR C C 13 177.347 . . 1 . . . . 53 Y C . 16824 1
605 . 1 1 53 53 TYR CA C 13 62.750 . . 1 . . . . 53 Y CA . 16824 1
606 . 1 1 53 53 TYR CB C 13 37.620 . . 1 . . . . 53 Y CB . 16824 1
607 . 1 1 53 53 TYR CD1 C 13 132.723 . . 3 . . . . 53 Y CD1 . 16824 1
608 . 1 1 53 53 TYR CD2 C 13 132.723 . . 3 . . . . 53 Y CD2 . 16824 1
609 . 1 1 53 53 TYR CE1 C 13 117.839 . . 3 . . . . 53 Y CE1 . 16824 1
610 . 1 1 53 53 TYR CE2 C 13 117.839 . . 3 . . . . 53 Y CE2 . 16824 1
611 . 1 1 53 53 TYR N N 15 122.070 . . 1 . . . . 53 Y N . 16824 1
612 . 1 1 54 54 ASP H H 1 8.840 . . 1 . . . . 54 D HN . 16824 1
613 . 1 1 54 54 ASP HA H 1 4.112 . . 1 . . . . 54 D HA . 16824 1
614 . 1 1 54 54 ASP HB2 H 1 2.648 . . 2 . . . . 54 D HB1 . 16824 1
615 . 1 1 54 54 ASP HB3 H 1 2.807 . . 2 . . . . 54 D HB2 . 16824 1
616 . 1 1 54 54 ASP C C 13 178.273 . . 1 . . . . 54 D C . 16824 1
617 . 1 1 54 54 ASP CA C 13 57.150 . . 1 . . . . 54 D CA . 16824 1
618 . 1 1 54 54 ASP CB C 13 39.560 . . 1 . . . . 54 D CB . 16824 1
619 . 1 1 54 54 ASP N N 15 119.080 . . 1 . . . . 54 D N . 16824 1
620 . 1 1 55 55 PHE H H 1 7.540 . . 1 . . . . 55 F HN . 16824 1
621 . 1 1 55 55 PHE HA H 1 3.943 . . 1 . . . . 55 F HA . 16824 1
622 . 1 1 55 55 PHE HB2 H 1 2.497 . . 2 . . . . 55 F HB1 . 16824 1
623 . 1 1 55 55 PHE HB3 H 1 3.315 . . 2 . . . . 55 F HB2 . 16824 1
624 . 1 1 55 55 PHE HD1 H 1 6.711 . . 3 . . . . 55 F HD1 . 16824 1
625 . 1 1 55 55 PHE HD2 H 1 6.711 . . 3 . . . . 55 F HD2 . 16824 1
626 . 1 1 55 55 PHE HE1 H 1 6.975 . . 3 . . . . 55 F HE1 . 16824 1
627 . 1 1 55 55 PHE HE2 H 1 6.975 . . 3 . . . . 55 F HE2 . 16824 1
628 . 1 1 55 55 PHE HZ H 1 7.137 . . 1 . . . . 55 F HZ . 16824 1
629 . 1 1 55 55 PHE C C 13 177.174 . . 1 . . . . 55 F C . 16824 1
630 . 1 1 55 55 PHE CA C 13 61.460 . . 1 . . . . 55 F CA . 16824 1
631 . 1 1 55 55 PHE CB C 13 38.310 . . 1 . . . . 55 F CB . 16824 1
632 . 1 1 55 55 PHE CD1 C 13 132.171 . . 3 . . . . 55 F CD1 . 16824 1
633 . 1 1 55 55 PHE CD2 C 13 132.171 . . 3 . . . . 55 F CD2 . 16824 1
634 . 1 1 55 55 PHE CE1 C 13 130.525 . . 3 . . . . 55 F CE1 . 16824 1
635 . 1 1 55 55 PHE CE2 C 13 130.525 . . 3 . . . . 55 F CE2 . 16824 1
636 . 1 1 55 55 PHE CZ C 13 129.398 . . 1 . . . . 55 F CZ . 16824 1
637 . 1 1 55 55 PHE N N 15 120.100 . . 1 . . . . 55 F N . 16824 1
638 . 1 1 56 56 ILE H H 1 8.120 . . 1 . . . . 56 I HN . 16824 1
639 . 1 1 56 56 ILE HA H 1 3.152 . . 1 . . . . 56 I HA . 16824 1
640 . 1 1 56 56 ILE HB H 1 2.134 . . 1 . . . . 56 I HB . 16824 1
641 . 1 1 56 56 ILE HD11 H 1 1.041 . . 1 . . . . 56 I HD11 . 16824 1
642 . 1 1 56 56 ILE HD12 H 1 1.041 . . 1 . . . . 56 I HD11 . 16824 1
643 . 1 1 56 56 ILE HD13 H 1 1.041 . . 1 . . . . 56 I HD11 . 16824 1
644 . 1 1 56 56 ILE HG12 H 1 1.190 . . 1 . . . . 56 I HG11 . 16824 1
645 . 1 1 56 56 ILE HG13 H 1 2.082 . . 1 . . . . 56 I HG12 . 16824 1
646 . 1 1 56 56 ILE HG21 H 1 0.731 . . 2 . . . . 56 I HG21 . 16824 1
647 . 1 1 56 56 ILE HG22 H 1 0.731 . . 2 . . . . 56 I HG21 . 16824 1
648 . 1 1 56 56 ILE HG23 H 1 0.731 . . 2 . . . . 56 I HG21 . 16824 1
649 . 1 1 56 56 ILE C C 13 178.735 . . 1 . . . . 56 I C . 16824 1
650 . 1 1 56 56 ILE CA C 13 65.210 . . 1 . . . . 56 I CA . 16824 1
651 . 1 1 56 56 ILE CB C 13 36.890 . . 1 . . . . 56 I CB . 16824 1
652 . 1 1 56 56 ILE CD1 C 13 13.765 . . 1 . . . . 56 I CD1 . 16824 1
653 . 1 1 56 56 ILE CG1 C 13 28.834 . . 2 . . . . 56 I CG1 . 16824 1
654 . 1 1 56 56 ILE CG2 C 13 16.333 . . 2 . . . . 56 I CG2 . 16824 1
655 . 1 1 56 56 ILE N N 15 119.970 . . 1 . . . . 56 I N . 16824 1
656 . 1 1 57 57 GLU H H 1 7.990 . . 1 . . . . 57 E HN . 16824 1
657 . 1 1 57 57 GLU HA H 1 3.795 . . 1 . . . . 57 E HA . 16824 1
658 . 1 1 57 57 GLU HB2 H 1 1.849 . . 2 . . . . 57 E HB1 . 16824 1
659 . 1 1 57 57 GLU HB3 H 1 1.942 . . 2 . . . . 57 E HB2 . 16824 1
660 . 1 1 57 57 GLU HG2 H 1 1.845 . . 2 . . . . 57 E HG1 . 16824 1
661 . 1 1 57 57 GLU HG3 H 1 2.000 . . 2 . . . . 57 E HG2 . 16824 1
662 . 1 1 57 57 GLU C C 13 180.423 . . 1 . . . . 57 E C . 16824 1
663 . 1 1 57 57 GLU CA C 13 59.480 . . 1 . . . . 57 E CA . 16824 1
664 . 1 1 57 57 GLU CB C 13 29.200 . . 1 . . . . 57 E CB . 16824 1
665 . 1 1 57 57 GLU CG C 13 36.052 . . 1 . . . . 57 E CG . 16824 1
666 . 1 1 57 57 GLU N N 15 119.870 . . 1 . . . . 57 E N . 16824 1
667 . 1 1 58 58 ASP H H 1 8.470 . . 1 . . . . 58 D HN . 16824 1
668 . 1 1 58 58 ASP HA H 1 4.331 . . 1 . . . . 58 D HA . 16824 1
669 . 1 1 58 58 ASP HB2 H 1 2.630 . . 2 . . . . 58 D HB1 . 16824 1
670 . 1 1 58 58 ASP HB3 H 1 2.441 . . 2 . . . . 58 D HB2 . 16824 1
671 . 1 1 58 58 ASP C C 13 177.653 . . 1 . . . . 58 D C . 16824 1
672 . 1 1 58 58 ASP CA C 13 56.790 . . 1 . . . . 58 D CA . 16824 1
673 . 1 1 58 58 ASP CB C 13 40.480 . . 1 . . . . 58 D CB . 16824 1
674 . 1 1 58 58 ASP N N 15 122.050 . . 1 . . . . 58 D N . 16824 1
675 . 1 1 59 59 GLN H H 1 7.390 . . 1 . . . . 59 Q HN . 16824 1
676 . 1 1 59 59 GLN HA H 1 3.967 . . 1 . . . . 59 Q HA . 16824 1
677 . 1 1 59 59 GLN HB2 H 1 1.602 . . 2 . . . . 59 Q HB1 . 16824 1
678 . 1 1 59 59 GLN HB3 H 1 2.139 . . 2 . . . . 59 Q HB2 . 16824 1
679 . 1 1 59 59 GLN HE21 H 1 6.340 . . 2 . . . . 59 Q HE21 . 16824 1
680 . 1 1 59 59 GLN HE22 H 1 6.750 . . 2 . . . . 59 Q HE22 . 16824 1
681 . 1 1 59 59 GLN HG2 H 1 1.264 . . 2 . . . . 59 Q HG1 . 16824 1
682 . 1 1 59 59 GLN HG3 H 1 1.894 . . 2 . . . . 59 Q HG2 . 16824 1
683 . 1 1 59 59 GLN C C 13 175.240 . . 1 . . . . 59 Q C . 16824 1
684 . 1 1 59 59 GLN CA C 13 54.480 . . 1 . . . . 59 Q CA . 16824 1
685 . 1 1 59 59 GLN CB C 13 27.870 . . 1 . . . . 59 Q CB . 16824 1
686 . 1 1 59 59 GLN CG C 13 33.061 . . 1 . . . . 59 Q CG . 16824 1
687 . 1 1 59 59 GLN N N 15 114.880 . . 1 . . . . 59 Q N . 16824 1
688 . 1 1 59 59 GLN NE2 N 15 117.100 . . 1 . . . . 59 Q NE2 . 16824 1
689 . 1 1 60 60 GLY H H 1 7.580 . . 1 . . . . 60 G HN . 16824 1
690 . 1 1 60 60 GLY HA2 H 1 4.385 . . 2 . . . . 60 G HA1 . 16824 1
691 . 1 1 60 60 GLY HA3 H 1 3.639 . . 2 . . . . 60 G HA2 . 16824 1
692 . 1 1 60 60 GLY C C 13 174.948 . . 1 . . . . 60 G C . 16824 1
693 . 1 1 60 60 GLY CA C 13 44.360 . . 1 . . . . 60 G CA . 16824 1
694 . 1 1 60 60 GLY N N 15 103.530 . . 1 . . . . 60 G N . 16824 1
695 . 1 1 61 61 GLY H H 1 8.200 . . 1 . . . . 61 G HN . 16824 1
696 . 1 1 61 61 GLY HA2 H 1 3.550 . . 2 . . . . 61 G HA1 . 16824 1
697 . 1 1 61 61 GLY HA3 H 1 4.564 . . 2 . . . . 61 G HA2 . 16824 1
698 . 1 1 61 61 GLY C C 13 173.250 . . 1 . . . . 61 G C . 16824 1
699 . 1 1 61 61 GLY CA C 13 43.790 . . 1 . . . . 61 G CA . 16824 1
700 . 1 1 61 61 GLY N N 15 110.060 . . 1 . . . . 61 G N . 16824 1
701 . 1 1 62 62 LEU H H 1 8.760 . . 1 . . . . 62 L HN . 16824 1
702 . 1 1 62 62 LEU HA H 1 3.735 . . 1 . . . . 62 L HA . 16824 1
703 . 1 1 62 62 LEU HB2 H 1 1.793 . . 2 . . . . 62 L HB1 . 16824 1
704 . 1 1 62 62 LEU HB3 H 1 1.495 . . 2 . . . . 62 L HB2 . 16824 1
705 . 1 1 62 62 LEU HD11 H 1 0.939 . . 2 . . . . 62 L HD11 . 16824 1
706 . 1 1 62 62 LEU HD12 H 1 0.939 . . 2 . . . . 62 L HD11 . 16824 1
707 . 1 1 62 62 LEU HD13 H 1 0.939 . . 2 . . . . 62 L HD11 . 16824 1
708 . 1 1 62 62 LEU HD21 H 1 0.910 . . 2 . . . . 62 L HD21 . 16824 1
709 . 1 1 62 62 LEU HD22 H 1 0.910 . . 2 . . . . 62 L HD21 . 16824 1
710 . 1 1 62 62 LEU HD23 H 1 0.910 . . 2 . . . . 62 L HD21 . 16824 1
711 . 1 1 62 62 LEU HG H 1 1.507 . . 1 . . . . 62 L HG . 16824 1
712 . 1 1 62 62 LEU C C 13 177.907 . . 1 . . . . 62 L C . 16824 1
713 . 1 1 62 62 LEU CA C 13 58.520 . . 1 . . . . 62 L CA . 16824 1
714 . 1 1 62 62 LEU CB C 13 42.170 . . 1 . . . . 62 L CB . 16824 1
715 . 1 1 62 62 LEU CD1 C 13 25.797 . . 2 . . . . 62 L CD1 . 16824 1
716 . 1 1 62 62 LEU CD2 C 13 23.303 . . 2 . . . . 62 L CD2 . 16824 1
717 . 1 1 62 62 LEU CG C 13 27.124 . . 1 . . . . 62 L CG . 16824 1
718 . 1 1 62 62 LEU N N 15 119.580 . . 1 . . . . 62 L N . 16824 1
719 . 1 1 63 63 GLU H H 1 8.630 . . 1 . . . . 63 E HN . 16824 1
720 . 1 1 63 63 GLU HA H 1 4.087 . . 1 . . . . 63 E HA . 16824 1
721 . 1 1 63 63 GLU HB2 H 1 2.025 . . 2 . . . . 63 E HB1 . 16824 1
722 . 1 1 63 63 GLU HB3 H 1 1.989 . . 2 . . . . 63 E HB2 . 16824 1
723 . 1 1 63 63 GLU HG2 H 1 2.408 . . 2 . . . . 63 E HG1 . 16824 1
724 . 1 1 63 63 GLU HG3 H 1 2.360 . . 2 . . . . 63 E HG2 . 16824 1
725 . 1 1 63 63 GLU C C 13 178.592 . . 1 . . . . 63 E C . 16824 1
726 . 1 1 63 63 GLU CA C 13 59.010 . . 1 . . . . 63 E CA . 16824 1
727 . 1 1 63 63 GLU CB C 13 28.250 . . 1 . . . . 63 E CB . 16824 1
728 . 1 1 63 63 GLU CG C 13 35.912 . . 1 . . . . 63 E CG . 16824 1
729 . 1 1 63 63 GLU N N 15 116.020 . . 1 . . . . 63 E N . 16824 1
730 . 1 1 64 64 ALA H H 1 7.330 . . 1 . . . . 64 A HN . 16824 1
731 . 1 1 64 64 ALA HA H 1 4.141 . . 1 . . . . 64 A HA . 16824 1
732 . 1 1 64 64 ALA HB1 H 1 1.374 . . 1 . . . . 64 A HB1 . 16824 1
733 . 1 1 64 64 ALA HB2 H 1 1.374 . . 1 . . . . 64 A HB1 . 16824 1
734 . 1 1 64 64 ALA HB3 H 1 1.374 . . 1 . . . . 64 A HB1 . 16824 1
735 . 1 1 64 64 ALA C C 13 180.857 . . 1 . . . . 64 A C . 16824 1
736 . 1 1 64 64 ALA CA C 13 54.810 . . 1 . . . . 64 A CA . 16824 1
737 . 1 1 64 64 ALA CB C 13 18.320 . . 1 . . . . 64 A CB . 16824 1
738 . 1 1 64 64 ALA N N 15 122.050 . . 1 . . . . 64 A N . 16824 1
739 . 1 1 65 65 VAL H H 1 7.800 . . 1 . . . . 65 V HN . 16824 1
740 . 1 1 65 65 VAL HA H 1 3.639 . . 1 . . . . 65 V HA . 16824 1
741 . 1 1 65 65 VAL HB H 1 2.133 . . 1 . . . . 65 V HB . 16824 1
742 . 1 1 65 65 VAL HG11 H 1 0.802 . . 2 . . . . 65 V HG11 . 16824 1
743 . 1 1 65 65 VAL HG12 H 1 0.802 . . 2 . . . . 65 V HG11 . 16824 1
744 . 1 1 65 65 VAL HG13 H 1 0.802 . . 2 . . . . 65 V HG11 . 16824 1
745 . 1 1 65 65 VAL HG21 H 1 0.910 . . 2 . . . . 65 V HG21 . 16824 1
746 . 1 1 65 65 VAL HG22 H 1 0.910 . . 2 . . . . 65 V HG21 . 16824 1
747 . 1 1 65 65 VAL HG23 H 1 0.910 . . 2 . . . . 65 V HG21 . 16824 1
748 . 1 1 65 65 VAL C C 13 177.484 . . 1 . . . . 65 V C . 16824 1
749 . 1 1 65 65 VAL CA C 13 66.330 . . 1 . . . . 65 V CA . 16824 1
750 . 1 1 65 65 VAL CB C 13 31.560 . . 1 . . . . 65 V CB . 16824 1
751 . 1 1 65 65 VAL CG1 C 13 21.750 . . 2 . . . . 65 V CG1 . 16824 1
752 . 1 1 65 65 VAL CG2 C 13 23.425 . . 2 . . . . 65 V CG2 . 16824 1
753 . 1 1 65 65 VAL N N 15 118.790 . . 1 . . . . 65 V N . 16824 1
754 . 1 1 66 66 ARG H H 1 8.640 . . 1 . . . . 66 R HN . 16824 1
755 . 1 1 66 66 ARG HA H 1 3.721 . . 1 . . . . 66 R HA . 16824 1
756 . 1 1 66 66 ARG HB2 H 1 1.884 . . 2 . . . . 66 R HB1 . 16824 1
757 . 1 1 66 66 ARG HB3 H 1 1.808 . . 2 . . . . 66 R HB2 . 16824 1
758 . 1 1 66 66 ARG HD2 H 1 3.298 . . 2 . . . . 66 R HD1 . 16824 1
759 . 1 1 66 66 ARG HD3 H 1 3.182 . . 2 . . . . 66 R HD2 . 16824 1
760 . 1 1 66 66 ARG HG2 H 1 1.500 . . 2 . . . . 66 R HG1 . 16824 1
761 . 1 1 66 66 ARG HG3 H 1 1.858 . . 2 . . . . 66 R HG2 . 16824 1
762 . 1 1 66 66 ARG C C 13 178.566 . . 1 . . . . 66 R C . 16824 1
763 . 1 1 66 66 ARG CA C 13 60.240 . . 1 . . . . 66 R CA . 16824 1
764 . 1 1 66 66 ARG CB C 13 30.200 . . 1 . . . . 66 R CB . 16824 1
765 . 1 1 66 66 ARG CD C 13 43.285 . . 1 . . . . 66 R CD . 16824 1
766 . 1 1 66 66 ARG CG C 13 27.143 . . 1 . . . . 66 R CG . 16824 1
767 . 1 1 66 66 ARG N N 15 120.170 . . 1 . . . . 66 R N . 16824 1
768 . 1 1 67 67 GLN H H 1 7.870 . . 1 . . . . 67 Q HN . 16824 1
769 . 1 1 67 67 GLN HA H 1 3.987 . . 1 . . . . 67 Q HA . 16824 1
770 . 1 1 67 67 GLN HB2 H 1 2.164 . . 2 . . . . 67 Q HB1 . 16824 1
771 . 1 1 67 67 GLN HB3 H 1 2.176 . . 2 . . . . 67 Q HB2 . 16824 1
772 . 1 1 67 67 GLN HE21 H 1 7.610 . . 2 . . . . 67 Q HE21 . 16824 1
773 . 1 1 67 67 GLN HE22 H 1 6.830 . . 2 . . . . 67 Q HE22 . 16824 1
774 . 1 1 67 67 GLN HG2 H 1 2.540 . . 2 . . . . 67 Q HG1 . 16824 1
775 . 1 1 67 67 GLN HG3 H 1 2.485 . . 2 . . . . 67 Q HG2 . 16824 1
776 . 1 1 67 67 GLN C C 13 178.756 . . 1 . . . . 67 Q C . 16824 1
777 . 1 1 67 67 GLN CA C 13 58.600 . . 1 . . . . 67 Q CA . 16824 1
778 . 1 1 67 67 GLN CB C 13 28.230 . . 1 . . . . 67 Q CB . 16824 1
779 . 1 1 67 67 GLN CG C 13 33.909 . . 1 . . . . 67 Q CG . 16824 1
780 . 1 1 67 67 GLN N N 15 115.990 . . 1 . . . . 67 Q N . 16824 1
781 . 1 1 67 67 GLN NE2 N 15 112.050 . . 1 . . . . 67 Q NE2 . 16824 1
782 . 1 1 68 68 GLU H H 1 7.770 . . 1 . . . . 68 E HN . 16824 1
783 . 1 1 68 68 GLU HA H 1 4.122 . . 1 . . . . 68 E HA . 16824 1
784 . 1 1 68 68 GLU HB2 H 1 2.140 . . 2 . . . . 68 E HB1 . 16824 1
785 . 1 1 68 68 GLU HB3 H 1 2.152 . . 2 . . . . 68 E HB2 . 16824 1
786 . 1 1 68 68 GLU HG2 H 1 2.337 . . 2 . . . . 68 E HG1 . 16824 1
787 . 1 1 68 68 GLU HG3 H 1 2.375 . . 2 . . . . 68 E HG2 . 16824 1
788 . 1 1 68 68 GLU C C 13 178.991 . . 1 . . . . 68 E C . 16824 1
789 . 1 1 68 68 GLU CA C 13 59.040 . . 1 . . . . 68 E CA . 16824 1
790 . 1 1 68 68 GLU CB C 13 29.600 . . 1 . . . . 68 E CB . 16824 1
791 . 1 1 68 68 GLU CG C 13 36.460 . . 1 . . . . 68 E CG . 16824 1
792 . 1 1 68 68 GLU N N 15 119.080 . . 1 . . . . 68 E N . 16824 1
793 . 1 1 69 69 MET H H 1 8.150 . . 1 . . . . 69 M HN . 16824 1
794 . 1 1 69 69 MET HA H 1 4.331 . . 1 . . . . 69 M HA . 16824 1
795 . 1 1 69 69 MET HB2 H 1 2.157 . . 2 . . . . 69 M HB1 . 16824 1
796 . 1 1 69 69 MET HB3 H 1 2.159 . . 2 . . . . 69 M HB2 . 16824 1
797 . 1 1 69 69 MET HE1 H 1 1.990 . . 1 . . . . 69 M HE1 . 16824 1
798 . 1 1 69 69 MET HE2 H 1 1.990 . . 1 . . . . 69 M HE1 . 16824 1
799 . 1 1 69 69 MET HE3 H 1 1.990 . . 1 . . . . 69 M HE1 . 16824 1
800 . 1 1 69 69 MET HG2 H 1 2.520 . . 2 . . . . 69 M HG1 . 16824 1
801 . 1 1 69 69 MET HG3 H 1 2.714 . . 2 . . . . 69 M HG2 . 16824 1
802 . 1 1 69 69 MET C C 13 177.589 . . 1 . . . . 69 M C . 16824 1
803 . 1 1 69 69 MET CA C 13 57.250 . . 1 . . . . 69 M CA . 16824 1
804 . 1 1 69 69 MET CB C 13 32.460 . . 1 . . . . 69 M CB . 16824 1
805 . 1 1 69 69 MET CE C 13 16.300 . . 1 . . . . 69 M CE . 16824 1
806 . 1 1 69 69 MET CG C 13 32.460 . . 1 . . . . 69 M CG . 16824 1
807 . 1 1 69 69 MET N N 15 117.150 . . 1 . . . . 69 M N . 16824 1
808 . 1 1 70 70 ARG H H 1 7.650 . . 1 . . . . 70 R HN . 16824 1
809 . 1 1 70 70 ARG HA H 1 4.336 . . 1 . . . . 70 R HA . 16824 1
810 . 1 1 70 70 ARG HB2 H 1 1.999 . . 2 . . . . 70 R HB1 . 16824 1
811 . 1 1 70 70 ARG HB3 H 1 1.814 . . 2 . . . . 70 R HB2 . 16824 1
812 . 1 1 70 70 ARG HD2 H 1 3.186 . . 2 . . . . 70 R HD1 . 16824 1
813 . 1 1 70 70 ARG HD3 H 1 3.129 . . 2 . . . . 70 R HD2 . 16824 1
814 . 1 1 70 70 ARG HG2 H 1 1.705 . . 2 . . . . 70 R HG2 . 16824 1
815 . 1 1 70 70 ARG C C 13 176.373 . . 1 . . . . 70 R C . 16824 1
816 . 1 1 70 70 ARG CA C 13 56.670 . . 1 . . . . 70 R CA . 16824 1
817 . 1 1 70 70 ARG CB C 13 30.680 . . 1 . . . . 70 R CB . 16824 1
818 . 1 1 70 70 ARG CD C 13 43.572 . . 1 . . . . 70 R CD . 16824 1
819 . 1 1 70 70 ARG CG C 13 27.523 . . 1 . . . . 70 R CG . 16824 1
820 . 1 1 70 70 ARG N N 15 117.730 . . 1 . . . . 70 R N . 16824 1
821 . 1 1 71 71 ARG H H 1 7.640 . . 1 . . . . 71 R HN . 16824 1
822 . 1 1 71 71 ARG HA H 1 4.332 . . 1 . . . . 71 R HA . 16824 1
823 . 1 1 71 71 ARG HB2 H 1 1.966 . . 2 . . . . 71 R HB1 . 16824 1
824 . 1 1 71 71 ARG HB3 H 1 1.909 . . 2 . . . . 71 R HB2 . 16824 1
825 . 1 1 71 71 ARG HD2 H 1 3.285 . . 2 . . . . 71 R HD1 . 16824 1
826 . 1 1 71 71 ARG HD3 H 1 3.212 . . 2 . . . . 71 R HD2 . 16824 1
827 . 1 1 71 71 ARG HG2 H 1 1.771 . . 2 . . . . 71 R HG1 . 16824 1
828 . 1 1 71 71 ARG HG3 H 1 1.816 . . 2 . . . . 71 R HG2 . 16824 1
829 . 1 1 71 71 ARG C C 13 175.481 . . 1 . . . . 71 R C . 16824 1
830 . 1 1 71 71 ARG CA C 13 56.800 . . 1 . . . . 71 R CA . 16824 1
831 . 1 1 71 71 ARG CB C 13 30.630 . . 1 . . . . 71 R CB . 16824 1
832 . 1 1 71 71 ARG CD C 13 43.643 . . 1 . . . . 71 R CD . 16824 1
833 . 1 1 71 71 ARG CG C 13 27.166 . . 1 . . . . 71 R CG . 16824 1
834 . 1 1 71 71 ARG N N 15 120.660 . . 1 . . . . 71 R N . 16824 1
835 . 1 1 72 72 GLN H H 1 7.880 . . 1 . . . . 72 Q HN . 16824 1
836 . 1 1 72 72 GLN HE21 H 1 7.530 . . 2 . . . . 72 Q HE21 . 16824 1
837 . 1 1 72 72 GLN HE22 H 1 6.920 . . 2 . . . . 72 Q HE22 . 16824 1
838 . 1 1 72 72 GLN HG2 H 1 2.890 . . 2 . . . . 72 Q HG1 . 16824 1
839 . 1 1 72 72 GLN HG3 H 1 2.800 . . 2 . . . . 72 Q HG2 . 16824 1
840 . 1 1 72 72 GLN CA C 13 57.190 . . 1 . . . . 72 Q CA . 16824 1
841 . 1 1 72 72 GLN CB C 13 30.580 . . 1 . . . . 72 Q CB . 16824 1
842 . 1 1 72 72 GLN CG C 13 34.400 . . 1 . . . . 72 Q CG . 16824 1
843 . 1 1 72 72 GLN N N 15 126.310 . . 1 . . . . 72 Q N . 16824 1
844 . 1 1 72 72 GLN NE2 N 15 112.400 . . 1 . . . . 72 Q NE2 . 16824 1
845 . 2 2 2 2 HIS HA H 1 4.701 . . 1 . . . . 74 H HA . 16824 1
846 . 2 2 2 2 HIS HB2 H 1 3.145 . . 2 . . . . 74 H HB1 . 16824 1
847 . 2 2 2 2 HIS HB3 H 1 3.093 . . 2 . . . . 74 H HB2 . 16824 1
848 . 2 2 2 2 HIS HD2 H 1 7.049 . . 3 . . . . 74 H HD2 . 16824 1
849 . 2 2 2 2 HIS HE1 H 1 7.918 . . 3 . . . . 74 H HE1 . 16824 1
850 . 2 2 2 2 HIS C C 13 175.119 . . 1 . . . . 74 H C . 16824 1
851 . 2 2 2 2 HIS CA C 13 56.187 . . 1 . . . . 74 H CA . 16824 1
852 . 2 2 2 2 HIS CB C 13 31.114 . . 1 . . . . 74 H CB . 16824 1
853 . 2 2 2 2 HIS CD2 C 13 119.515 . . 1 . . . . 74 H CD2 . 16824 1
854 . 2 2 2 2 HIS CE1 C 13 138.104 . . 1 . . . . 74 H CE1 . 16824 1
855 . 2 2 3 3 MET H H 1 8.482 . . 1 . . . . 75 M HN . 16824 1
856 . 2 2 3 3 MET HA H 1 4.475 . . 1 . . . . 75 M HA . 16824 1
857 . 2 2 3 3 MET HB2 H 1 1.975 . . 2 . . . . 75 M HB1 . 16824 1
858 . 2 2 3 3 MET HB3 H 1 2.056 . . 2 . . . . 75 M HB2 . 16824 1
859 . 2 2 3 3 MET HE1 H 1 1.990 . . 1 . . . . 75 M HE1 . 16824 1
860 . 2 2 3 3 MET HE2 H 1 1.990 . . 1 . . . . 75 M HE1 . 16824 1
861 . 2 2 3 3 MET HE3 H 1 1.990 . . 1 . . . . 75 M HE1 . 16824 1
862 . 2 2 3 3 MET HG2 H 1 2.507 . . 2 . . . . 75 M HG1 . 16824 1
863 . 2 2 3 3 MET HG3 H 1 2.547 . . 2 . . . . 75 M HG2 . 16824 1
864 . 2 2 3 3 MET C C 13 175.713 . . 1 . . . . 75 M C . 16824 1
865 . 2 2 3 3 MET CA C 13 55.547 . . 1 . . . . 75 M CA . 16824 1
866 . 2 2 3 3 MET CB C 13 32.869 . . 1 . . . . 75 M CB . 16824 1
867 . 2 2 3 3 MET CE C 13 16.150 . . 1 . . . . 75 M CE . 16824 1
868 . 2 2 3 3 MET CG C 13 32.042 . . 1 . . . . 75 M CG . 16824 1
869 . 2 2 3 3 MET N N 15 122.077 . . 1 . . . . 75 M N . 16824 1
870 . 2 2 4 4 LEU H H 1 8.453 . . 1 . . . . 76 L HN . 16824 1
871 . 2 2 4 4 LEU HA H 1 4.639 . . 1 . . . . 76 L HA . 16824 1
872 . 2 2 4 4 LEU HB2 H 1 1.584 . . 2 . . . . 76 L HB1 . 16824 1
873 . 2 2 4 4 LEU HB3 H 1 1.616 . . 2 . . . . 76 L HB2 . 16824 1
874 . 2 2 4 4 LEU HD11 H 1 0.929 . . 2 . . . . 76 L HD11 . 16824 1
875 . 2 2 4 4 LEU HD12 H 1 0.929 . . 2 . . . . 76 L HD11 . 16824 1
876 . 2 2 4 4 LEU HD13 H 1 0.929 . . 2 . . . . 76 L HD11 . 16824 1
877 . 2 2 4 4 LEU HD21 H 1 0.936 . . 2 . . . . 76 L HD21 . 16824 1
878 . 2 2 4 4 LEU HD22 H 1 0.936 . . 2 . . . . 76 L HD21 . 16824 1
879 . 2 2 4 4 LEU HD23 H 1 0.936 . . 2 . . . . 76 L HD21 . 16824 1
880 . 2 2 4 4 LEU HG H 1 1.686 . . 1 . . . . 76 L HG . 16824 1
881 . 2 2 4 4 LEU CA C 13 53.063 . . 1 . . . . 76 L CA . 16824 1
882 . 2 2 4 4 LEU CB C 13 42.061 . . 1 . . . . 76 L CB . 16824 1
883 . 2 2 4 4 LEU CD1 C 13 23.610 . . 1 . . . . 76 L CD1 . 16824 1
884 . 2 2 4 4 LEU CD2 C 13 25.310 . . 1 . . . . 76 L CD2 . 16824 1
885 . 2 2 4 4 LEU CG C 13 27.070 . . 1 . . . . 76 L CG . 16824 1
886 . 2 2 4 4 LEU N N 15 124.910 . . 1 . . . . 76 L N . 16824 1
887 . 2 2 5 5 PRO HA H 1 4.501 . . 1 . . . . 77 P HA . 16824 1
888 . 2 2 5 5 PRO HB2 H 1 2.355 . . 2 . . . . 77 P HB1 . 16824 1
889 . 2 2 5 5 PRO HB3 H 1 1.908 . . 2 . . . . 77 P HB2 . 16824 1
890 . 2 2 5 5 PRO HD2 H 1 3.916 . . 2 . . . . 77 P HD1 . 16824 1
891 . 2 2 5 5 PRO HD3 H 1 3.615 . . 2 . . . . 77 P HD2 . 16824 1
892 . 2 2 5 5 PRO HG2 H 1 2.080 . . 2 . . . . 77 P HG1 . 16824 1
893 . 2 2 5 5 PRO HG3 H 1 2.044 . . 2 . . . . 77 P HG2 . 16824 1
894 . 2 2 5 5 PRO C C 13 176.415 . . 1 . . . . 77 P C . 16824 1
895 . 2 2 5 5 PRO CA C 13 62.980 . . 1 . . . . 77 P CA . 16824 1
896 . 2 2 5 5 PRO CB C 13 32.228 . . 1 . . . . 77 P CB . 16824 1
897 . 2 2 5 5 PRO CD C 13 50.674 . . 1 . . . . 77 P CD . 16824 1
898 . 2 2 5 5 PRO CG C 13 27.622 . . 1 . . . . 77 P CG . 16824 1
899 . 2 2 6 6 ASP H H 1 8.420 . . 1 . . . . 78 D HN . 16824 1
900 . 2 2 6 6 ASP HA H 1 4.604 . . 1 . . . . 78 D HA . 16824 1
901 . 2 2 6 6 ASP HB2 H 1 3.000 . . 2 . . . . 78 D HB1 . 16824 1
902 . 2 2 6 6 ASP HB3 H 1 2.783 . . 2 . . . . 78 D HB2 . 16824 1
903 . 2 2 6 6 ASP C C 13 177.149 . . 1 . . . . 78 D C . 16824 1
904 . 2 2 6 6 ASP CA C 13 54.570 . . 1 . . . . 78 D CA . 16824 1
905 . 2 2 6 6 ASP CB C 13 41.710 . . 1 . . . . 78 D CB . 16824 1
906 . 2 2 6 6 ASP N N 15 122.310 . . 1 . . . . 78 D N . 16824 1
907 . 2 2 7 7 VAL H H 1 8.640 . . 1 . . . . 79 V HN . 16824 1
908 . 2 2 7 7 VAL HA H 1 3.782 . . 1 . . . . 79 V HA . 16824 1
909 . 2 2 7 7 VAL HB H 1 2.228 . . 1 . . . . 79 V HB . 16824 1
910 . 2 2 7 7 VAL HG11 H 1 1.014 . . 4 . . . . 79 V HG11 . 16824 1
911 . 2 2 7 7 VAL HG12 H 1 1.014 . . 4 . . . . 79 V HG11 . 16824 1
912 . 2 2 7 7 VAL HG13 H 1 1.014 . . 4 . . . . 79 V HG11 . 16824 1
913 . 2 2 7 7 VAL HG21 H 1 1.125 . . 4 . . . . 79 V HG21 . 16824 1
914 . 2 2 7 7 VAL HG22 H 1 1.125 . . 4 . . . . 79 V HG21 . 16824 1
915 . 2 2 7 7 VAL HG23 H 1 1.125 . . 4 . . . . 79 V HG21 . 16824 1
916 . 2 2 7 7 VAL C C 13 176.120 . . 1 . . . . 79 V C . 16824 1
917 . 2 2 7 7 VAL CA C 13 66.080 . . 1 . . . . 79 V CA . 16824 1
918 . 2 2 7 7 VAL CB C 13 31.220 . . 1 . . . . 79 V CB . 16824 1
919 . 2 2 7 7 VAL CG1 C 13 20.522 . . 2 . . . . 79 V CG1 . 16824 1
920 . 2 2 7 7 VAL CG2 C 13 22.410 . . 2 . . . . 79 V CG2 . 16824 1
921 . 2 2 7 7 VAL N N 15 120.360 . . 1 . . . . 79 V N . 16824 1
922 . 2 2 8 8 ALA H H 1 7.930 . . 1 . . . . 80 A HN . 16824 1
923 . 2 2 8 8 ALA HA H 1 3.990 . . 1 . . . . 80 A HA . 16824 1
924 . 2 2 8 8 ALA HB1 H 1 1.411 . . 1 . . . . 80 A HB1 . 16824 1
925 . 2 2 8 8 ALA HB2 H 1 1.411 . . 1 . . . . 80 A HB1 . 16824 1
926 . 2 2 8 8 ALA HB3 H 1 1.411 . . 1 . . . . 80 A HB1 . 16824 1
927 . 2 2 8 8 ALA C C 13 179.096 . . 1 . . . . 80 A C . 16824 1
928 . 2 2 8 8 ALA CA C 13 55.440 . . 1 . . . . 80 A CA . 16824 1
929 . 2 2 8 8 ALA CB C 13 18.400 . . 1 . . . . 80 A CB . 16824 1
930 . 2 2 8 8 ALA N N 15 122.710 . . 1 . . . . 80 A N . 16824 1
931 . 2 2 9 9 GLN H H 1 7.970 . . 1 . . . . 81 Q HN . 16824 1
932 . 2 2 9 9 GLN HA H 1 4.089 . . 1 . . . . 81 Q HA . 16824 1
933 . 2 2 9 9 GLN HB2 H 1 2.195 . . 2 . . . . 81 Q HB1 . 16824 1
934 . 2 2 9 9 GLN HB3 H 1 2.284 . . 2 . . . . 81 Q HB2 . 16824 1
935 . 2 2 9 9 GLN HE21 H 1 7.530 . . 2 . . . . 81 Q HE21 . 16824 1
936 . 2 2 9 9 GLN HE22 H 1 6.820 . . 2 . . . . 81 Q HE22 . 16824 1
937 . 2 2 9 9 GLN HG2 H 1 2.534 . . 2 . . . . 81 Q HG1 . 16824 1
938 . 2 2 9 9 GLN HG3 H 1 2.413 . . 2 . . . . 81 Q HG2 . 16824 1
939 . 2 2 9 9 GLN C C 13 179.449 . . 1 . . . . 81 Q C . 16824 1
940 . 2 2 9 9 GLN CA C 13 59.080 . . 1 . . . . 81 Q CA . 16824 1
941 . 2 2 9 9 GLN CB C 13 28.040 . . 1 . . . . 81 Q CB . 16824 1
942 . 2 2 9 9 GLN CG C 13 34.256 . . 1 . . . . 81 Q CG . 16824 1
943 . 2 2 9 9 GLN N N 15 118.410 . . 1 . . . . 81 Q N . 16824 1
944 . 2 2 9 9 GLN NE2 N 15 111.900 . . 1 . . . . 81 Q NE2 . 16824 1
945 . 2 2 10 10 ARG H H 1 8.570 . . 1 . . . . 82 R HN . 16824 1
946 . 2 2 10 10 ARG HA H 1 4.153 . . 1 . . . . 82 R HA . 16824 1
947 . 2 2 10 10 ARG HB2 H 1 2.067 . . 2 . . . . 82 R HB1 . 16824 1
948 . 2 2 10 10 ARG HB3 H 1 2.200 . . 2 . . . . 82 R HB2 . 16824 1
949 . 2 2 10 10 ARG HD2 H 1 3.299 . . 2 . . . . 82 R HD1 . 16824 1
950 . 2 2 10 10 ARG HD3 H 1 3.425 . . 2 . . . . 82 R HD2 . 16824 1
951 . 2 2 10 10 ARG HG2 H 1 1.615 . . 2 . . . . 82 R HG1 . 16824 1
952 . 2 2 10 10 ARG HG3 H 1 2.077 . . 2 . . . . 82 R HG2 . 16824 1
953 . 2 2 10 10 ARG C C 13 179.259 . . 1 . . . . 82 R C . 16824 1
954 . 2 2 10 10 ARG CA C 13 60.090 . . 1 . . . . 82 R CA . 16824 1
955 . 2 2 10 10 ARG CB C 13 29.730 . . 1 . . . . 82 R CB . 16824 1
956 . 2 2 10 10 ARG CD C 13 43.786 . . 1 . . . . 82 R CD . 16824 1
957 . 2 2 10 10 ARG CG C 13 28.355 . . 1 . . . . 82 R CG . 16824 1
958 . 2 2 10 10 ARG N N 15 119.100 . . 1 . . . . 82 R N . 16824 1
959 . 2 2 11 11 LEU H H 1 8.270 . . 1 . . . . 83 L HN . 16824 1
960 . 2 2 11 11 LEU HA H 1 3.022 . . 1 . . . . 83 L HA . 16824 1
961 . 2 2 11 11 LEU HB2 H 1 0.948 . . 2 . . . . 83 L HB1 . 16824 1
962 . 2 2 11 11 LEU HB3 H 1 1.900 . . 2 . . . . 83 L HB2 . 16824 1
963 . 2 2 11 11 LEU HD11 H 1 0.463 . . 4 . . . . 83 L HD11 . 16824 1
964 . 2 2 11 11 LEU HD12 H 1 0.463 . . 4 . . . . 83 L HD11 . 16824 1
965 . 2 2 11 11 LEU HD13 H 1 0.463 . . 4 . . . . 83 L HD11 . 16824 1
966 . 2 2 11 11 LEU HD21 H 1 0.774 . . 4 . . . . 83 L HD21 . 16824 1
967 . 2 2 11 11 LEU HD22 H 1 0.774 . . 4 . . . . 83 L HD21 . 16824 1
968 . 2 2 11 11 LEU HD23 H 1 0.774 . . 4 . . . . 83 L HD21 . 16824 1
969 . 2 2 11 11 LEU HG H 1 1.262 . . 1 . . . . 83 L HG . 16824 1
970 . 2 2 11 11 LEU C C 13 177.566 . . 1 . . . . 83 L C . 16824 1
971 . 2 2 11 11 LEU CA C 13 57.700 . . 1 . . . . 83 L CA . 16824 1
972 . 2 2 11 11 LEU CB C 13 40.080 . . 1 . . . . 83 L CB . 16824 1
973 . 2 2 11 11 LEU CD1 C 13 22.041 . . 2 . . . . 83 L CD1 . 16824 1
974 . 2 2 11 11 LEU CD2 C 13 26.206 . . 2 . . . . 83 L CD2 . 16824 1
975 . 2 2 11 11 LEU CG C 13 26.830 . . 1 . . . . 83 L CG . 16824 1
976 . 2 2 11 11 LEU N N 15 123.660 . . 1 . . . . 83 L N . 16824 1
977 . 2 2 12 12 MET H H 1 8.210 . . 1 . . . . 84 M HN . 16824 1
978 . 2 2 12 12 MET HA H 1 3.947 . . 1 . . . . 84 M HA . 16824 1
979 . 2 2 12 12 MET HB2 H 1 2.307 . . 2 . . . . 84 M HB1 . 16824 1
980 . 2 2 12 12 MET HB3 H 1 2.190 . . 2 . . . . 84 M HB2 . 16824 1
981 . 2 2 12 12 MET HE1 H 1 2.110 . . 1 . . . . 84 M HE1 . 16824 1
982 . 2 2 12 12 MET HE2 H 1 2.110 . . 1 . . . . 84 M HE1 . 16824 1
983 . 2 2 12 12 MET HE3 H 1 2.110 . . 1 . . . . 84 M HE1 . 16824 1
984 . 2 2 12 12 MET HG2 H 1 2.870 . . 2 . . . . 84 M HG1 . 16824 1
985 . 2 2 12 12 MET HG3 H 1 2.645 . . 2 . . . . 84 M HG2 . 16824 1
986 . 2 2 12 12 MET C C 13 179.192 . . 1 . . . . 84 M C . 16824 1
987 . 2 2 12 12 MET CA C 13 59.940 . . 1 . . . . 84 M CA . 16824 1
988 . 2 2 12 12 MET CB C 13 32.940 . . 1 . . . . 84 M CB . 16824 1
989 . 2 2 12 12 MET CE C 13 16.650 . . 1 . . . . 84 M CE . 16824 1
990 . 2 2 12 12 MET CG C 13 32.305 . . 1 . . . . 84 M CG . 16824 1
991 . 2 2 12 12 MET N N 15 118.580 . . 1 . . . . 84 M N . 16824 1
992 . 2 2 13 13 GLN H H 1 8.270 . . 1 . . . . 85 Q HN . 16824 1
993 . 2 2 13 13 GLN HA H 1 4.127 . . 1 . . . . 85 Q HA . 16824 1
994 . 2 2 13 13 GLN HB2 H 1 2.255 . . 2 . . . . 85 Q HB1 . 16824 1
995 . 2 2 13 13 GLN HB3 H 1 2.199 . . 2 . . . . 85 Q HB2 . 16824 1
996 . 2 2 13 13 GLN HE21 H 1 7.730 . . 2 . . . . 85 Q HE21 . 16824 1
997 . 2 2 13 13 GLN HE22 H 1 6.790 . . 2 . . . . 85 Q HE22 . 16824 1
998 . 2 2 13 13 GLN HG2 H 1 2.578 . . 2 . . . . 85 Q HG1 . 16824 1
999 . 2 2 13 13 GLN HG3 H 1 2.488 . . 2 . . . . 85 Q HG2 . 16824 1
1000 . 2 2 13 13 GLN C C 13 177.474 . . 1 . . . . 85 Q C . 16824 1
1001 . 2 2 13 13 GLN CA C 13 58.800 . . 1 . . . . 85 Q CA . 16824 1
1002 . 2 2 13 13 GLN CB C 13 28.170 . . 1 . . . . 85 Q CB . 16824 1
1003 . 2 2 13 13 GLN CG C 13 33.655 . . 1 . . . . 85 Q CG . 16824 1
1004 . 2 2 13 13 GLN N N 15 119.930 . . 1 . . . . 85 Q N . 16824 1
1005 . 2 2 13 13 GLN NE2 N 15 111.600 . . 1 . . . . 85 Q NE2 . 16824 1
1006 . 2 2 14 14 HIS H H 1 8.160 . . 1 . . . . 86 H HN . 16824 1
1007 . 2 2 14 14 HIS HA H 1 4.529 . . 1 . . . . 86 H HA . 16824 1
1008 . 2 2 14 14 HIS HB2 H 1 3.240 . . 2 . . . . 86 H HB1 . 16824 1
1009 . 2 2 14 14 HIS HB3 H 1 3.230 . . 2 . . . . 86 H HB2 . 16824 1
1010 . 2 2 14 14 HIS HD2 H 1 6.370 . . 3 . . . . 86 H HD2 . 16824 1
1011 . 2 2 14 14 HIS HE1 H 1 8.000 . . 3 . . . . 86 H HE1 . 16824 1
1012 . 2 2 14 14 HIS C C 13 178.277 . . 1 . . . . 86 H C . 16824 1
1013 . 2 2 14 14 HIS CA C 13 59.800 . . 1 . . . . 86 H CA . 16824 1
1014 . 2 2 14 14 HIS CB C 13 31.410 . . 1 . . . . 86 H CB . 16824 1
1015 . 2 2 14 14 HIS CD2 C 13 117.289 . . 1 . . . . 86 H CD2 . 16824 1
1016 . 2 2 14 14 HIS CE1 C 13 139.705 . . 1 . . . . 86 H CE1 . 16824 1
1017 . 2 2 14 14 HIS N N 15 120.900 . . 1 . . . . 86 H N . 16824 1
1018 . 2 2 15 15 LEU H H 1 8.230 . . 1 . . . . 87 L HN . 16824 1
1019 . 2 2 15 15 LEU HA H 1 3.818 . . 1 . . . . 87 L HA . 16824 1
1020 . 2 2 15 15 LEU HB2 H 1 1.850 . . 2 . . . . 87 L HB1 . 16824 1
1021 . 2 2 15 15 LEU HB3 H 1 1.513 . . 2 . . . . 87 L HB2 . 16824 1
1022 . 2 2 15 15 LEU HD11 H 1 0.695 . . 2 . . . . 87 L HD11 . 16824 1
1023 . 2 2 15 15 LEU HD12 H 1 0.695 . . 2 . . . . 87 L HD11 . 16824 1
1024 . 2 2 15 15 LEU HD13 H 1 0.695 . . 2 . . . . 87 L HD11 . 16824 1
1025 . 2 2 15 15 LEU HD21 H 1 0.699 . . 4 . . . . 87 L HD21 . 16824 1
1026 . 2 2 15 15 LEU HD22 H 1 0.699 . . 4 . . . . 87 L HD21 . 16824 1
1027 . 2 2 15 15 LEU HD23 H 1 0.699 . . 4 . . . . 87 L HD21 . 16824 1
1028 . 2 2 15 15 LEU HG H 1 1.790 . . 1 . . . . 87 L HG . 16824 1
1029 . 2 2 15 15 LEU C C 13 179.511 . . 1 . . . . 87 L C . 16824 1
1030 . 2 2 15 15 LEU CA C 13 58.550 . . 1 . . . . 87 L CA . 16824 1
1031 . 2 2 15 15 LEU CB C 13 39.940 . . 1 . . . . 87 L CB . 16824 1
1032 . 2 2 15 15 LEU CD1 C 13 22.697 . . 2 . . . . 87 L CD1 . 16824 1
1033 . 2 2 15 15 LEU CD2 C 13 25.482 . . 2 . . . . 87 L CD2 . 16824 1
1034 . 2 2 15 15 LEU CG C 13 27.192 . . 1 . . . . 87 L CG . 16824 1
1035 . 2 2 15 15 LEU N N 15 118.310 . . 1 . . . . 87 L N . 16824 1
1036 . 2 2 16 16 ALA H H 1 8.290 . . 1 . . . . 88 A HN . 16824 1
1037 . 2 2 16 16 ALA HA H 1 4.141 . . 1 . . . . 88 A HA . 16824 1
1038 . 2 2 16 16 ALA HB1 H 1 1.568 . . 1 . . . . 88 A HB1 . 16824 1
1039 . 2 2 16 16 ALA HB2 H 1 1.568 . . 1 . . . . 88 A HB1 . 16824 1
1040 . 2 2 16 16 ALA HB3 H 1 1.568 . . 1 . . . . 88 A HB1 . 16824 1
1041 . 2 2 16 16 ALA C C 13 182.407 . . 1 . . . . 88 A C . 16824 1
1042 . 2 2 16 16 ALA CA C 13 55.450 . . 1 . . . . 88 A CA . 16824 1
1043 . 2 2 16 16 ALA CB C 13 17.860 . . 1 . . . . 88 A CB . 16824 1
1044 . 2 2 16 16 ALA N N 15 123.720 . . 1 . . . . 88 A N . 16824 1
1045 . 2 2 17 17 GLU H H 1 8.340 . . 1 . . . . 89 E HN . 16824 1
1046 . 2 2 17 17 GLU HA H 1 4.052 . . 1 . . . . 89 E HA . 16824 1
1047 . 2 2 17 17 GLU HB2 H 1 1.950 . . 2 . . . . 89 E HB1 . 16824 1
1048 . 2 2 17 17 GLU HB3 H 1 2.196 . . 2 . . . . 89 E HB2 . 16824 1
1049 . 2 2 17 17 GLU HG2 H 1 2.469 . . 2 . . . . 89 E HG1 . 16824 1
1050 . 2 2 17 17 GLU HG3 H 1 2.276 . . 2 . . . . 89 E HG2 . 16824 1
1051 . 2 2 17 17 GLU C C 13 177.434 . . 1 . . . . 89 E C . 16824 1
1052 . 2 2 17 17 GLU CA C 13 58.480 . . 1 . . . . 89 E CA . 16824 1
1053 . 2 2 17 17 GLU CB C 13 29.160 . . 1 . . . . 89 E CB . 16824 1
1054 . 2 2 17 17 GLU CG C 13 36.559 . . 1 . . . . 89 E CG . 16824 1
1055 . 2 2 17 17 GLU N N 15 119.640 . . 1 . . . . 89 E N . 16824 1
1056 . 2 2 18 18 HIS H H 1 7.570 . . 1 . . . . 90 H HN . 16824 1
1057 . 2 2 18 18 HIS HA H 1 4.544 . . 1 . . . . 90 H HA . 16824 1
1058 . 2 2 18 18 HIS HB2 H 1 2.731 . . 2 . . . . 90 H HB1 . 16824 1
1059 . 2 2 18 18 HIS HB3 H 1 3.610 . . 2 . . . . 90 H HB2 . 16824 1
1060 . 2 2 18 18 HIS HD2 H 1 7.133 . . 3 . . . . 90 H HD2 . 16824 1
1061 . 2 2 18 18 HIS HE1 H 1 8.130 . . 3 . . . . 90 H HE1 . 16824 1
1062 . 2 2 18 18 HIS C C 13 174.172 . . 1 . . . . 90 H C . 16824 1
1063 . 2 2 18 18 HIS CA C 13 56.360 . . 1 . . . . 90 H CA . 16824 1
1064 . 2 2 18 18 HIS CB C 13 29.730 . . 1 . . . . 90 H CB . 16824 1
1065 . 2 2 18 18 HIS N N 15 115.660 . . 1 . . . . 90 H N . 16824 1
1066 . 2 2 18 18 HIS ND1 N 15 137.021 . . 1 . . . . 90 H ND1 . 16824 1
1067 . 2 2 19 19 GLY H H 1 7.830 . . 1 . . . . 91 G HN . 16824 1
1068 . 2 2 19 19 GLY HA2 H 1 3.792 . . 2 . . . . 91 G HA1 . 16824 1
1069 . 2 2 19 19 GLY HA3 H 1 4.114 . . 2 . . . . 91 G HA2 . 16824 1
1070 . 2 2 19 19 GLY C C 13 173.809 . . 1 . . . . 91 G C . 16824 1
1071 . 2 2 19 19 GLY CA C 13 46.000 . . 1 . . . . 91 G CA . 16824 1
1072 . 2 2 19 19 GLY N N 15 107.210 . . 1 . . . . 91 G N . 16824 1
1073 . 2 2 20 20 ILE H H 1 8.010 . . 1 . . . . 92 I HN . 16824 1
1074 . 2 2 20 20 ILE HA H 1 4.200 . . 1 . . . . 92 I HA . 16824 1
1075 . 2 2 20 20 ILE HB H 1 1.672 . . 1 . . . . 92 I HB . 16824 1
1076 . 2 2 20 20 ILE HD11 H 1 0.830 . . 1 . . . . 92 I HD11 . 16824 1
1077 . 2 2 20 20 ILE HD12 H 1 0.830 . . 1 . . . . 92 I HD11 . 16824 1
1078 . 2 2 20 20 ILE HD13 H 1 0.830 . . 1 . . . . 92 I HD11 . 16824 1
1079 . 2 2 20 20 ILE HG12 H 1 1.184 . . 1 . . . . 92 I HG11 . 16824 1
1080 . 2 2 20 20 ILE HG13 H 1 1.316 . . 1 . . . . 92 I HG12 . 16824 1
1081 . 2 2 20 20 ILE HG21 H 1 0.770 . . 2 . . . . 92 I HG21 . 16824 1
1082 . 2 2 20 20 ILE HG22 H 1 0.770 . . 2 . . . . 92 I HG21 . 16824 1
1083 . 2 2 20 20 ILE HG23 H 1 0.770 . . 2 . . . . 92 I HG21 . 16824 1
1084 . 2 2 20 20 ILE C C 13 174.571 . . 1 . . . . 92 I C . 16824 1
1085 . 2 2 20 20 ILE CA C 13 59.580 . . 1 . . . . 92 I CA . 16824 1
1086 . 2 2 20 20 ILE CB C 13 38.060 . . 1 . . . . 92 I CB . 16824 1
1087 . 2 2 20 20 ILE CD1 C 13 12.748 . . 1 . . . . 92 I CD1 . 16824 1
1088 . 2 2 20 20 ILE CG1 C 13 27.158 . . 2 . . . . 92 I CG1 . 16824 1
1089 . 2 2 20 20 ILE CG2 C 13 17.496 . . 2 . . . . 92 I CG2 . 16824 1
1090 . 2 2 20 20 ILE N N 15 122.520 . . 1 . . . . 92 I N . 16824 1
1091 . 2 2 21 21 GLN H H 1 8.300 . . 1 . . . . 93 Q HN . 16824 1
1092 . 2 2 21 21 GLN HA H 1 4.647 . . 1 . . . . 93 Q HA . 16824 1
1093 . 2 2 21 21 GLN HB2 H 1 1.830 . . 2 . . . . 93 Q HB1 . 16824 1
1094 . 2 2 21 21 GLN HB3 H 1 2.101 . . 2 . . . . 93 Q HB2 . 16824 1
1095 . 2 2 21 21 GLN HE21 H 1 7.500 . . 2 . . . . 93 Q HE21 . 16824 1
1096 . 2 2 21 21 GLN HE22 H 1 6.820 . . 2 . . . . 93 Q HE22 . 16824 1
1097 . 2 2 21 21 GLN HG2 H 1 2.360 . . 2 . . . . 93 Q HG1 . 16824 1
1098 . 2 2 21 21 GLN HG3 H 1 2.362 . . 2 . . . . 93 Q HG2 . 16824 1
1099 . 2 2 21 21 GLN CA C 13 52.640 . . 1 . . . . 93 Q CA . 16824 1
1100 . 2 2 21 21 GLN CB C 13 29.200 . . 1 . . . . 93 Q CB . 16824 1
1101 . 2 2 21 21 GLN CG C 13 33.400 . . 1 . . . . 93 Q CG . 16824 1
1102 . 2 2 21 21 GLN N N 15 125.250 . . 1 . . . . 93 Q N . 16824 1
1103 . 2 2 21 21 GLN NE2 N 15 112.200 . . 1 . . . . 93 Q NE2 . 16824 1
1104 . 2 2 22 22 PRO HA H 1 4.366 . . 1 . . . . 94 P HA . 16824 1
1105 . 2 2 22 22 PRO HB2 H 1 2.436 . . 2 . . . . 94 P HB1 . 16824 1
1106 . 2 2 22 22 PRO HB3 H 1 2.042 . . 2 . . . . 94 P HB2 . 16824 1
1107 . 2 2 22 22 PRO HD2 H 1 3.993 . . 2 . . . . 94 P HD1 . 16824 1
1108 . 2 2 22 22 PRO HD3 H 1 3.667 . . 2 . . . . 94 P HD2 . 16824 1
1109 . 2 2 22 22 PRO HG2 H 1 1.930 . . 2 . . . . 94 P HG1 . 16824 1
1110 . 2 2 22 22 PRO HG3 H 1 2.156 . . 2 . . . . 94 P HG2 . 16824 1
1111 . 2 2 22 22 PRO C C 13 176.619 . . 1 . . . . 94 P C . 16824 1
1112 . 2 2 22 22 PRO CA C 13 63.175 . . 1 . . . . 94 P CA . 16824 1
1113 . 2 2 22 22 PRO CB C 13 32.413 . . 1 . . . . 94 P CB . 16824 1
1114 . 2 2 22 22 PRO CD C 13 50.609 . . 1 . . . . 94 P CD . 16824 1
1115 . 2 2 22 22 PRO CG C 13 28.086 . . 1 . . . . 94 P CG . 16824 1
1116 . 2 2 23 23 ALA H H 1 8.540 . . 1 . . . . 95 A HN . 16824 1
1117 . 2 2 23 23 ALA HA H 1 4.246 . . 1 . . . . 95 A HA . 16824 1
1118 . 2 2 23 23 ALA HB1 H 1 1.448 . . 1 . . . . 95 A HB1 . 16824 1
1119 . 2 2 23 23 ALA HB2 H 1 1.448 . . 1 . . . . 95 A HB1 . 16824 1
1120 . 2 2 23 23 ALA HB3 H 1 1.448 . . 1 . . . . 95 A HB1 . 16824 1
1121 . 2 2 23 23 ALA C C 13 178.222 . . 1 . . . . 95 A C . 16824 1
1122 . 2 2 23 23 ALA CA C 13 53.460 . . 1 . . . . 95 A CA . 16824 1
1123 . 2 2 23 23 ALA CB C 13 19.229 . . 1 . . . . 95 A CB . 16824 1
1124 . 2 2 23 23 ALA N N 15 126.050 . . 1 . . . . 95 A N . 16824 1
1125 . 2 2 24 24 ARG H H 1 8.490 . . 1 . . . . 96 R HN . 16824 1
1126 . 2 2 24 24 ARG HA H 1 4.323 . . 1 . . . . 96 R HA . 16824 1
1127 . 2 2 24 24 ARG HB2 H 1 1.803 . . 2 . . . . 96 R HB1 . 16824 1
1128 . 2 2 24 24 ARG HB3 H 1 1.679 . . 2 . . . . 96 R HB2 . 16824 1
1129 . 2 2 24 24 ARG HD2 H 1 3.226 . . 2 . . . . 96 R HD1 . 16824 1
1130 . 2 2 24 24 ARG HD3 H 1 3.162 . . 2 . . . . 96 R HD2 . 16824 1
1131 . 2 2 24 24 ARG HG2 H 1 1.612 . . 2 . . . . 96 R HG1 . 16824 1
1132 . 2 2 24 24 ARG HG3 H 1 1.566 . . 2 . . . . 96 R HG2 . 16824 1
1133 . 2 2 24 24 ARG C C 13 175.611 . . 1 . . . . 96 R C . 16824 1
1134 . 2 2 24 24 ARG CA C 13 56.020 . . 1 . . . . 96 R CA . 16824 1
1135 . 2 2 24 24 ARG CB C 13 31.110 . . 1 . . . . 96 R CB . 16824 1
1136 . 2 2 24 24 ARG CD C 13 43.463 . . 1 . . . . 96 R CD . 16824 1
1137 . 2 2 24 24 ARG CG C 13 27.254 . . 1 . . . . 96 R CG . 16824 1
1138 . 2 2 24 24 ARG N N 15 118.400 . . 1 . . . . 96 R N . 16824 1
1139 . 2 2 25 25 ASN H H 1 8.380 . . 1 . . . . 97 N HN . 16824 1
1140 . 2 2 25 25 ASN HA H 1 4.682 . . 1 . . . . 97 N HA . 16824 1
1141 . 2 2 25 25 ASN HB2 H 1 2.787 . . 2 . . . . 97 N HB1 . 16824 1
1142 . 2 2 25 25 ASN HB3 H 1 2.916 . . 2 . . . . 97 N HB2 . 16824 1
1143 . 2 2 25 25 ASN HD21 H 1 7.620 . . 2 . . . . 97 N HD21 . 16824 1
1144 . 2 2 25 25 ASN HD22 H 1 6.920 . . 2 . . . . 97 N HD22 . 16824 1
1145 . 2 2 25 25 ASN C C 13 175.525 . . 1 . . . . 97 N C . 16824 1
1146 . 2 2 25 25 ASN CA C 13 53.110 . . 1 . . . . 97 N CA . 16824 1
1147 . 2 2 25 25 ASN CB C 13 38.540 . . 1 . . . . 97 N CB . 16824 1
1148 . 2 2 25 25 ASN N N 15 119.200 . . 1 . . . . 97 N N . 16824 1
1149 . 2 2 25 25 ASN ND2 N 15 112.100 . . 1 . . . . 97 N ND2 . 16824 1
1150 . 2 2 26 26 MET H H 1 8.360 . . 1 . . . . 98 M HN . 16824 1
1151 . 2 2 26 26 MET HA H 1 4.456 . . 1 . . . . 98 M HA . 16824 1
1152 . 2 2 26 26 MET HB2 H 1 2.159 . . 2 . . . . 98 M HB1 . 16824 1
1153 . 2 2 26 26 MET HB3 H 1 2.009 . . 2 . . . . 98 M HB2 . 16824 1
1154 . 2 2 26 26 MET HE1 H 1 2.100 . . 1 . . . . 98 M HE1 . 16824 1
1155 . 2 2 26 26 MET HE2 H 1 2.100 . . 1 . . . . 98 M HE1 . 16824 1
1156 . 2 2 26 26 MET HE3 H 1 2.100 . . 1 . . . . 98 M HE1 . 16824 1
1157 . 2 2 26 26 MET HG2 H 1 2.651 . . 2 . . . . 98 M HG1 . 16824 1
1158 . 2 2 26 26 MET HG3 H 1 2.530 . . 2 . . . . 98 M HG2 . 16824 1
1159 . 2 2 26 26 MET C C 13 176.262 . . 1 . . . . 98 M C . 16824 1
1160 . 2 2 26 26 MET CA C 13 55.520 . . 1 . . . . 98 M CA . 16824 1
1161 . 2 2 26 26 MET CB C 13 32.140 . . 1 . . . . 98 M CB . 16824 1
1162 . 2 2 26 26 MET CE C 13 16.649 . . 1 . . . . 98 M CE . 16824 1
1163 . 2 2 26 26 MET CG C 13 32.140 . . 1 . . . . 98 M CG . 16824 1
1164 . 2 2 26 26 MET N N 15 121.730 . . 1 . . . . 98 M N . 16824 1
1165 . 2 2 27 27 ALA H H 1 8.190 . . 1 . . . . 99 A HN . 16824 1
1166 . 2 2 27 27 ALA HA H 1 4.315 . . 1 . . . . 99 A HA . 16824 1
1167 . 2 2 27 27 ALA HB1 H 1 1.410 . . 1 . . . . 99 A HB1 . 16824 1
1168 . 2 2 27 27 ALA HB2 H 1 1.410 . . 1 . . . . 99 A HB1 . 16824 1
1169 . 2 2 27 27 ALA HB3 H 1 1.410 . . 1 . . . . 99 A HB1 . 16824 1
1170 . 2 2 27 27 ALA C C 13 177.658 . . 1 . . . . 99 A C . 16824 1
1171 . 2 2 27 27 ALA CA C 13 52.810 . . 1 . . . . 99 A CA . 16824 1
1172 . 2 2 27 27 ALA CB C 13 19.160 . . 1 . . . . 99 A CB . 16824 1
1173 . 2 2 27 27 ALA N N 15 123.930 . . 1 . . . . 99 A N . 16824 1
1174 . 2 2 28 28 GLU H H 1 8.170 . . 1 . . . . 100 E HN . 16824 1
1175 . 2 2 28 28 GLU HA H 1 4.237 . . 1 . . . . 100 E HA . 16824 1
1176 . 2 2 28 28 GLU HB2 H 1 1.907 . . 2 . . . . 100 E HB1 . 16824 1
1177 . 2 2 28 28 GLU HB3 H 1 1.987 . . 2 . . . . 100 E HB2 . 16824 1
1178 . 2 2 28 28 GLU HG2 H 1 2.232 . . 2 . . . . 100 E HG1 . 16824 1
1179 . 2 2 28 28 GLU HG3 H 1 2.171 . . 2 . . . . 100 E HG2 . 16824 1
1180 . 2 2 28 28 GLU C C 13 176.078 . . 1 . . . . 100 E C . 16824 1
1181 . 2 2 28 28 GLU CA C 13 56.560 . . 1 . . . . 100 E CA . 16824 1
1182 . 2 2 28 28 GLU CB C 13 30.440 . . 1 . . . . 100 E CB . 16824 1
1183 . 2 2 28 28 GLU CG C 13 36.324 . . 1 . . . . 100 E CG . 16824 1
1184 . 2 2 28 28 GLU N N 15 118.880 . . 1 . . . . 100 E N . 16824 1
1185 . 2 2 29 29 HIS H H 1 8.250 . . 1 . . . . 101 H HN . 16824 1
1186 . 2 2 29 29 HIS HA H 1 4.643 . . 1 . . . . 101 H HA . 16824 1
1187 . 2 2 29 29 HIS HB2 H 1 3.109 . . 2 . . . . 101 H HB1 . 16824 1
1188 . 2 2 29 29 HIS HB3 H 1 3.113 . . 2 . . . . 101 H HB2 . 16824 1
1189 . 2 2 29 29 HIS HD2 H 1 7.015 . . 3 . . . . 101 H HD2 . 16824 1
1190 . 2 2 29 29 HIS HE1 H 1 7.953 . . 3 . . . . 101 H HE1 . 16824 1
1191 . 2 2 29 29 HIS C C 13 174.587 . . 1 . . . . 101 H C . 16824 1
1192 . 2 2 29 29 HIS CA C 13 55.850 . . 1 . . . . 101 H CA . 16824 1
1193 . 2 2 29 29 HIS CB C 13 30.510 . . 1 . . . . 101 H CB . 16824 1
1194 . 2 2 29 29 HIS CD2 C 13 119.819 . . 1 . . . . 101 H CD2 . 16824 1
1195 . 2 2 29 29 HIS CE1 C 13 137.959 . . 1 . . . . 101 H CE1 . 16824 1
1196 . 2 2 29 29 HIS N N 15 120.250 . . 1 . . . . 101 H N . 16824 1
1197 . 2 2 30 30 ILE H H 1 8.090 . . 1 . . . . 102 I HN . 16824 1
1198 . 2 2 30 30 ILE HA H 1 4.436 . . 1 . . . . 102 I HA . 16824 1
1199 . 2 2 30 30 ILE HB H 1 1.818 . . 1 . . . . 102 I HB . 16824 1
1200 . 2 2 30 30 ILE HD11 H 1 0.846 . . 1 . . . . 102 I HD11 . 16824 1
1201 . 2 2 30 30 ILE HD12 H 1 0.846 . . 1 . . . . 102 I HD11 . 16824 1
1202 . 2 2 30 30 ILE HD13 H 1 0.846 . . 1 . . . . 102 I HD11 . 16824 1
1203 . 2 2 30 30 ILE HG12 H 1 1.475 . . 1 . . . . 102 I HG11 . 16824 1
1204 . 2 2 30 30 ILE HG13 H 1 1.127 . . 1 . . . . 102 I HG12 . 16824 1
1205 . 2 2 30 30 ILE HG21 H 1 0.925 . . 2 . . . . 102 I HG21 . 16824 1
1206 . 2 2 30 30 ILE HG22 H 1 0.925 . . 2 . . . . 102 I HG21 . 16824 1
1207 . 2 2 30 30 ILE HG23 H 1 0.925 . . 2 . . . . 102 I HG21 . 16824 1
1208 . 2 2 30 30 ILE CA C 13 58.470 . . 1 . . . . 102 I CA . 16824 1
1209 . 2 2 30 30 ILE CB C 13 38.630 . . 1 . . . . 102 I CB . 16824 1
1210 . 2 2 30 30 ILE CD1 C 13 12.708 . . 1 . . . . 102 I CD1 . 16824 1
1211 . 2 2 30 30 ILE CG1 C 13 26.907 . . 2 . . . . 102 I CG1 . 16824 1
1212 . 2 2 30 30 ILE CG2 C 13 17.086 . . 1 . . . . 102 I CG2 . 16824 1
1213 . 2 2 30 30 ILE N N 15 124.850 . . 1 . . . . 102 I N . 16824 1
1214 . 2 2 31 31 PRO HA H 1 4.640 . . 1 . . . . 103 P HA . 16824 1
1215 . 2 2 31 31 PRO HB2 H 1 1.906 . . 2 . . . . 103 P HB1 . 16824 1
1216 . 2 2 31 31 PRO HB3 H 1 2.363 . . 2 . . . . 103 P HB2 . 16824 1
1217 . 2 2 31 31 PRO HD2 H 1 3.663 . . 2 . . . . 103 P HD1 . 16824 1
1218 . 2 2 31 31 PRO HD3 H 1 3.858 . . 2 . . . . 103 P HD2 . 16824 1
1219 . 2 2 31 31 PRO HG2 H 1 2.008 . . 2 . . . . 103 P HG1 . 16824 1
1220 . 2 2 31 31 PRO HG3 H 1 2.055 . . 2 . . . . 103 P HG2 . 16824 1
1221 . 2 2 31 31 PRO CA C 13 61.480 . . 1 . . . . 103 P CA . 16824 1
1222 . 2 2 31 31 PRO CB C 13 31.140 . . 1 . . . . 103 P CB . 16824 1
1223 . 2 2 31 31 PRO CD C 13 50.870 . . 1 . . . . 103 P CD . 16824 1
1224 . 2 2 31 31 PRO CG C 13 27.350 . . 1 . . . . 103 P CG . 16824 1
1225 . 2 2 32 32 PRO HA H 1 4.390 . . 1 . . . . 104 P HA . 16824 1
1226 . 2 2 32 32 PRO HB2 H 1 2.268 . . 2 . . . . 104 P HB1 . 16824 1
1227 . 2 2 32 32 PRO HB3 H 1 1.901 . . 2 . . . . 104 P HB2 . 16824 1
1228 . 2 2 32 32 PRO HD2 H 1 3.828 . . 2 . . . . 104 P HD1 . 16824 1
1229 . 2 2 32 32 PRO HD3 H 1 3.657 . . 2 . . . . 104 P HD2 . 16824 1
1230 . 2 2 32 32 PRO HG2 H 1 2.023 . . 2 . . . . 104 P HG1 . 16824 1
1231 . 2 2 32 32 PRO HG3 H 1 1.905 . . 2 . . . . 104 P HG2 . 16824 1
1232 . 2 2 32 32 PRO C C 13 176.170 . . 1 . . . . 104 P C . 16824 1
1233 . 2 2 32 32 PRO CA C 13 62.727 . . 1 . . . . 104 P CA . 16824 1
1234 . 2 2 32 32 PRO CB C 13 32.053 . . 1 . . . . 104 P CB . 16824 1
1235 . 2 2 32 32 PRO CD C 13 50.528 . . 1 . . . . 104 P CD . 16824 1
1236 . 2 2 32 32 PRO CG C 13 26.908 . . 1 . . . . 104 P CG . 16824 1
1237 . 2 2 33 33 ALA H H 1 8.166 . . 1 . . . . 105 A HN . 16824 1
1238 . 2 2 33 33 ALA HA H 1 4.535 . . 1 . . . . 105 A HA . 16824 1
1239 . 2 2 33 33 ALA HB1 H 1 1.320 . . 1 . . . . 105 A HB1 . 16824 1
1240 . 2 2 33 33 ALA HB2 H 1 1.320 . . 1 . . . . 105 A HB1 . 16824 1
1241 . 2 2 33 33 ALA HB3 H 1 1.320 . . 1 . . . . 105 A HB1 . 16824 1
1242 . 2 2 33 33 ALA CA C 13 50.218 . . 1 . . . . 105 A CA . 16824 1
1243 . 2 2 33 33 ALA CB C 13 18.249 . . 1 . . . . 105 A CB . 16824 1
1244 . 2 2 33 33 ALA N N 15 125.099 . . 1 . . . . 105 A N . 16824 1
1245 . 2 2 34 34 PRO HA H 1 4.234 . . 1 . . . . 106 P HA . 16824 1
1246 . 2 2 34 34 PRO HB2 H 1 1.955 . . 2 . . . . 106 P HB1 . 16824 1
1247 . 2 2 34 34 PRO HB3 H 1 1.517 . . 2 . . . . 106 P HB2 . 16824 1
1248 . 2 2 34 34 PRO HD2 H 1 3.735 . . 2 . . . . 106 P HD1 . 16824 1
1249 . 2 2 34 34 PRO HD3 H 1 3.577 . . 2 . . . . 106 P HD2 . 16824 1
1250 . 2 2 34 34 PRO HG2 H 1 1.908 . . 2 . . . . 106 P HG1 . 16824 1
1251 . 2 2 34 34 PRO HG3 H 1 1.905 . . 2 . . . . 106 P HG2 . 16824 1
1252 . 2 2 34 34 PRO C C 13 176.299 . . 1 . . . . 106 P C . 16824 1
1253 . 2 2 34 34 PRO CA C 13 63.012 . . 1 . . . . 106 P CA . 16824 1
1254 . 2 2 34 34 PRO CB C 13 31.825 . . 1 . . . . 106 P CB . 16824 1
1255 . 2 2 34 34 PRO CD C 13 50.376 . . 1 . . . . 106 P CD . 16824 1
1256 . 2 2 34 34 PRO CG C 13 26.925 . . 1 . . . . 106 P CG . 16824 1
1257 . 2 2 35 35 ASN H H 1 8.140 . . 1 . . . . 107 N HN . 16824 1
1258 . 2 2 35 35 ASN HA H 1 4.668 . . 1 . . . . 107 N HA . 16824 1
1259 . 2 2 35 35 ASN HB2 H 1 2.670 . . 2 . . . . 107 N HB1 . 16824 1
1260 . 2 2 35 35 ASN HB3 H 1 2.742 . . 2 . . . . 107 N HB2 . 16824 1
1261 . 2 2 35 35 ASN HD21 H 1 7.520 . . 2 . . . . 107 N HD21 . 16824 1
1262 . 2 2 35 35 ASN HD22 H 1 6.850 . . 2 . . . . 107 N HD22 . 16824 1
1263 . 2 2 35 35 ASN C C 13 173.759 . . 1 . . . . 107 N C . 16824 1
1264 . 2 2 35 35 ASN CA C 13 52.980 . . 1 . . . . 107 N CA . 16824 1
1265 . 2 2 35 35 ASN CB C 13 38.910 . . 1 . . . . 107 N CB . 16824 1
1266 . 2 2 35 35 ASN N N 15 118.650 . . 1 . . . . 107 N N . 16824 1
1267 . 2 2 35 35 ASN ND2 N 15 112.700 . . 1 . . . . 107 N ND2 . 16824 1
1268 . 2 2 36 36 TRP H H 1 7.510 . . 1 . . . . 108 W HN . 16824 1
1269 . 2 2 36 36 TRP HA H 1 4.530 . . 1 . . . . 108 W HA . 16824 1
1270 . 2 2 36 36 TRP HB2 H 1 3.340 . . 2 . . . . 108 W HB1 . 16824 1
1271 . 2 2 36 36 TRP HB3 H 1 3.195 . . 2 . . . . 108 W HB2 . 16824 1
1272 . 2 2 36 36 TRP HD1 H 1 7.220 . . 1 . . . . 108 W HD1 . 16824 1
1273 . 2 2 36 36 TRP HE1 H 1 10.074 . . 3 . . . . 108 W HE1 . 16824 1
1274 . 2 2 36 36 TRP HE3 H 1 7.695 . . 3 . . . . 108 W HE3 . 16824 1
1275 . 2 2 36 36 TRP HH2 H 1 7.230 . . 1 . . . . 108 W HH2 . 16824 1
1276 . 2 2 36 36 TRP HZ2 H 1 7.493 . . 3 . . . . 108 W HZ2 . 16824 1
1277 . 2 2 36 36 TRP HZ3 H 1 7.170 . . 3 . . . . 108 W HZ3 . 16824 1
1278 . 2 2 36 36 TRP CA C 13 58.660 . . 1 . . . . 108 W CA . 16824 1
1279 . 2 2 36 36 TRP CB C 13 30.050 . . 1 . . . . 108 W CB . 16824 1
1280 . 2 2 36 36 TRP CD1 C 13 126.600 . . 3 . . . . 108 W CD1 . 16824 1
1281 . 2 2 36 36 TRP CZ2 C 13 114.300 . . 3 . . . . 108 W CZ2 . 16824 1
1282 . 2 2 36 36 TRP N N 15 125.850 . . 1 . . . . 108 W N . 16824 1
1283 . 2 2 36 36 TRP NE1 N 15 128.777 . . 1 . . . . 108 W NE1 . 16824 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 256 16824 1
1 257 16824 1
1 258 16824 1
1 259 16824 1
1 260 16824 1
1 261 16824 1
2 473 16824 1
2 474 16824 1
2 475 16824 1
2 476 16824 1
2 477 16824 1
2 478 16824 1
3 567 16824 1
3 568 16824 1
3 569 16824 1
4 910 16824 1
4 911 16824 1
4 912 16824 1
4 913 16824 1
4 914 16824 1
4 915 16824 1
5 963 16824 1
5 964 16824 1
5 965 16824 1
5 966 16824 1
5 967 16824 1
5 968 16824 1
6 1025 16824 1
6 1026 16824 1
6 1027 16824 1
stop_
save_