data_17242
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 17242
_Entry.Title
;
Solution Structures of Oxidized and Reduced Thioredoxin C from M. tb
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-10-07
_Entry.Accession_date 2010-10-07
_Entry.Last_release_date 2013-07-01
_Entry.Original_release_date 2013-07-01
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Andrew Olson . L. . 17242
2 Sheng Cai . . . 17242
3 Dan Sem . S. . 17242
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 'not applicable' 'not applicable' . 17242
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'M. tb' . 17242
Trx . 17242
TrxC . 17242
Tuberculosis . 17242
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 17242
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 351 17242
'15N chemical shifts' 104 17242
'1H chemical shifts' 759 17242
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2013-07-01 2010-10-07 original author . 17242
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 17268 'Thioredoxin C, oxidized form' 17242
PDB 2L4Q 'BMRB Entry Tracking System' 17242
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 17242
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 23229911
_Citation.Full_citation .
_Citation.Title 'Solution structures of Mycobacterium tuberculosis thioredoxin C and models of intact thioredoxin system suggest new approaches to inhibitor and drug design'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev Proteins
_Citation.Journal_name_full .
_Citation.Journal_volume 81
_Citation.Journal_issue 4
_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 675
_Citation.Page_last 689
_Citation.Year 2013
_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 Andrew Olson . L. . 17242 1
2 Terrence Neumann . S. . 17242 1
3 Sheng Cai . . . 17242 1
4 Daniel Sem . S. . 17242 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 17242
_Assembly.ID 1
_Assembly.Name 'Thioredoxin C'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'Thioredoxin C' 1 $entity A . yes native no no . . . 17242 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity
_Entity.Sf_category entity
_Entity.Sf_framecode entity
_Entity.Entry_ID 17242
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MTDSEKSATIKVTDASFATD
VLSSNKPVLVDFWATWCGPC
KMVAPVLEEIATERATDLTV
AKLDVDTNPETARNFQVVSI
PTLILFKDGQPVKRIVGAKG
KAALLRELSDVVPNLN
;
_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 116
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 12557.545
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no BMRB 17268 . entity . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
2 no PDB 2I1U . "Mycobacterium Tuberculosis Thioredoxin C" . . . . . 100.00 121 100.00 100.00 1.26e-75 . . . . 17242 1
3 no PDB 2L4Q . "Solution Structures Of Oxidized And Reduced Thioredoxin C From M. Tb" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
4 no PDB 2L59 . "Solution Structures Of Oxidized And Reduced Thioredoxin C From M. Tb" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
5 no PDB 3NOF . "Mycobacterium Tuberculosis Thioredoxin C C40s Mutant" . . . . . 100.00 118 99.14 99.14 8.84e-75 . . . . 17242 1
6 no PDB 3O6T . "Mycobacterium Tuberculosis Thioredoxin C C40s Mutant In Complex With Quinol Inhibitor Pmx464" . . . . . 100.00 118 99.14 99.14 8.84e-75 . . . . 17242 1
7 no DBJ BAH28242 . "thioredoxin [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
8 no DBJ BAL68058 . "thioredoxin [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
9 no DBJ BAQ08156 . "thioredoxin [Mycobacterium tuberculosis str. Kurono]" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
10 no DBJ GAA43797 . "thioredoxin [Mycobacterium tuberculosis NCGM2209]" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
11 no EMBL CAA65071 . "thioredoxin reductase [Mycobacterium tuberculosis]" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
12 no EMBL CAL70004 . "Thioredoxin trxC (TRX) (MPT46) [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
13 no EMBL CAL73962 . "Thioredoxin trxC [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
14 no EMBL CCC28997 . "thioredoxin TRXC (TRX) [Mycobacterium africanum GM041182]" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
15 no EMBL CCC46265 . "thioredoxin TRXC (TRX) (MPT46) [Mycobacterium canettii CIPT 140010059]" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
16 no GB AAK48398 . "thioredoxin [Mycobacterium tuberculosis CDC1551]" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
17 no GB ABQ75742 . "thioredoxin TrxC [Mycobacterium tuberculosis H37Ra]" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
18 no GB ABR08274 . "thioredoxin trxC [Mycobacterium tuberculosis F11]" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
19 no GB ACT27071 . "thioredoxin trxC [Mycobacterium tuberculosis KZN 1435]" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
20 no GB AEB06115 . "thioredoxin trxC [Mycobacterium tuberculosis KZN 4207]" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
21 no REF NP_218431 . "thioredoxin TrxC [Mycobacterium tuberculosis H37Rv]" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
22 no REF NP_857580 . "thioredoxin [Mycobacterium bovis AF2122/97]" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
23 no REF WP_003400164 . "MULTISPECIES: thioredoxin [Mycobacterium]" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
24 no REF WP_015288674 . "thioredoxin [Mycobacterium canettii]" . . . . . 100.00 116 99.14 99.14 2.61e-75 . . . . 17242 1
25 no REF WP_031662639 . "thioredoxin [Mycobacterium tuberculosis]" . . . . . 100.00 116 99.14 99.14 2.19e-75 . . . . 17242 1
26 no SP P0A617 . "RecName: Full=Thioredoxin; Short=Trx; AltName: Full=MPT46" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
27 no SP P9WG66 . "RecName: Full=Thioredoxin; Short=Trx; AltName: Full=MPT46" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
28 no SP P9WG67 . "RecName: Full=Thioredoxin; Short=Trx; AltName: Full=MPT46" . . . . . 100.00 116 100.00 100.00 5.36e-76 . . . . 17242 1
stop_
loop_
_Entity_biological_function.Biological_function
_Entity_biological_function.Entry_ID
_Entity_biological_function.Entity_ID
oxidoreductase 17242 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . MET . 17242 1
2 . THR . 17242 1
3 . ASP . 17242 1
4 . SER . 17242 1
5 . GLU . 17242 1
6 . LYS . 17242 1
7 . SER . 17242 1
8 . ALA . 17242 1
9 . THR . 17242 1
10 . ILE . 17242 1
11 . LYS . 17242 1
12 . VAL . 17242 1
13 . THR . 17242 1
14 . ASP . 17242 1
15 . ALA . 17242 1
16 . SER . 17242 1
17 . PHE . 17242 1
18 . ALA . 17242 1
19 . THR . 17242 1
20 . ASP . 17242 1
21 . VAL . 17242 1
22 . LEU . 17242 1
23 . SER . 17242 1
24 . SER . 17242 1
25 . ASN . 17242 1
26 . LYS . 17242 1
27 . PRO . 17242 1
28 . VAL . 17242 1
29 . LEU . 17242 1
30 . VAL . 17242 1
31 . ASP . 17242 1
32 . PHE . 17242 1
33 . TRP . 17242 1
34 . ALA . 17242 1
35 . THR . 17242 1
36 . TRP . 17242 1
37 . CYS . 17242 1
38 . GLY . 17242 1
39 . PRO . 17242 1
40 . CYS . 17242 1
41 . LYS . 17242 1
42 . MET . 17242 1
43 . VAL . 17242 1
44 . ALA . 17242 1
45 . PRO . 17242 1
46 . VAL . 17242 1
47 . LEU . 17242 1
48 . GLU . 17242 1
49 . GLU . 17242 1
50 . ILE . 17242 1
51 . ALA . 17242 1
52 . THR . 17242 1
53 . GLU . 17242 1
54 . ARG . 17242 1
55 . ALA . 17242 1
56 . THR . 17242 1
57 . ASP . 17242 1
58 . LEU . 17242 1
59 . THR . 17242 1
60 . VAL . 17242 1
61 . ALA . 17242 1
62 . LYS . 17242 1
63 . LEU . 17242 1
64 . ASP . 17242 1
65 . VAL . 17242 1
66 . ASP . 17242 1
67 . THR . 17242 1
68 . ASN . 17242 1
69 . PRO . 17242 1
70 . GLU . 17242 1
71 . THR . 17242 1
72 . ALA . 17242 1
73 . ARG . 17242 1
74 . ASN . 17242 1
75 . PHE . 17242 1
76 . GLN . 17242 1
77 . VAL . 17242 1
78 . VAL . 17242 1
79 . SER . 17242 1
80 . ILE . 17242 1
81 . PRO . 17242 1
82 . THR . 17242 1
83 . LEU . 17242 1
84 . ILE . 17242 1
85 . LEU . 17242 1
86 . PHE . 17242 1
87 . LYS . 17242 1
88 . ASP . 17242 1
89 . GLY . 17242 1
90 . GLN . 17242 1
91 . PRO . 17242 1
92 . VAL . 17242 1
93 . LYS . 17242 1
94 . ARG . 17242 1
95 . ILE . 17242 1
96 . VAL . 17242 1
97 . GLY . 17242 1
98 . ALA . 17242 1
99 . LYS . 17242 1
100 . GLY . 17242 1
101 . LYS . 17242 1
102 . ALA . 17242 1
103 . ALA . 17242 1
104 . LEU . 17242 1
105 . LEU . 17242 1
106 . ARG . 17242 1
107 . GLU . 17242 1
108 . LEU . 17242 1
109 . SER . 17242 1
110 . ASP . 17242 1
111 . VAL . 17242 1
112 . VAL . 17242 1
113 . PRO . 17242 1
114 . ASN . 17242 1
115 . LEU . 17242 1
116 . ASN . 17242 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 17242 1
. THR 2 2 17242 1
. ASP 3 3 17242 1
. SER 4 4 17242 1
. GLU 5 5 17242 1
. LYS 6 6 17242 1
. SER 7 7 17242 1
. ALA 8 8 17242 1
. THR 9 9 17242 1
. ILE 10 10 17242 1
. LYS 11 11 17242 1
. VAL 12 12 17242 1
. THR 13 13 17242 1
. ASP 14 14 17242 1
. ALA 15 15 17242 1
. SER 16 16 17242 1
. PHE 17 17 17242 1
. ALA 18 18 17242 1
. THR 19 19 17242 1
. ASP 20 20 17242 1
. VAL 21 21 17242 1
. LEU 22 22 17242 1
. SER 23 23 17242 1
. SER 24 24 17242 1
. ASN 25 25 17242 1
. LYS 26 26 17242 1
. PRO 27 27 17242 1
. VAL 28 28 17242 1
. LEU 29 29 17242 1
. VAL 30 30 17242 1
. ASP 31 31 17242 1
. PHE 32 32 17242 1
. TRP 33 33 17242 1
. ALA 34 34 17242 1
. THR 35 35 17242 1
. TRP 36 36 17242 1
. CYS 37 37 17242 1
. GLY 38 38 17242 1
. PRO 39 39 17242 1
. CYS 40 40 17242 1
. LYS 41 41 17242 1
. MET 42 42 17242 1
. VAL 43 43 17242 1
. ALA 44 44 17242 1
. PRO 45 45 17242 1
. VAL 46 46 17242 1
. LEU 47 47 17242 1
. GLU 48 48 17242 1
. GLU 49 49 17242 1
. ILE 50 50 17242 1
. ALA 51 51 17242 1
. THR 52 52 17242 1
. GLU 53 53 17242 1
. ARG 54 54 17242 1
. ALA 55 55 17242 1
. THR 56 56 17242 1
. ASP 57 57 17242 1
. LEU 58 58 17242 1
. THR 59 59 17242 1
. VAL 60 60 17242 1
. ALA 61 61 17242 1
. LYS 62 62 17242 1
. LEU 63 63 17242 1
. ASP 64 64 17242 1
. VAL 65 65 17242 1
. ASP 66 66 17242 1
. THR 67 67 17242 1
. ASN 68 68 17242 1
. PRO 69 69 17242 1
. GLU 70 70 17242 1
. THR 71 71 17242 1
. ALA 72 72 17242 1
. ARG 73 73 17242 1
. ASN 74 74 17242 1
. PHE 75 75 17242 1
. GLN 76 76 17242 1
. VAL 77 77 17242 1
. VAL 78 78 17242 1
. SER 79 79 17242 1
. ILE 80 80 17242 1
. PRO 81 81 17242 1
. THR 82 82 17242 1
. LEU 83 83 17242 1
. ILE 84 84 17242 1
. LEU 85 85 17242 1
. PHE 86 86 17242 1
. LYS 87 87 17242 1
. ASP 88 88 17242 1
. GLY 89 89 17242 1
. GLN 90 90 17242 1
. PRO 91 91 17242 1
. VAL 92 92 17242 1
. LYS 93 93 17242 1
. ARG 94 94 17242 1
. ILE 95 95 17242 1
. VAL 96 96 17242 1
. GLY 97 97 17242 1
. ALA 98 98 17242 1
. LYS 99 99 17242 1
. GLY 100 100 17242 1
. LYS 101 101 17242 1
. ALA 102 102 17242 1
. ALA 103 103 17242 1
. LEU 104 104 17242 1
. LEU 105 105 17242 1
. ARG 106 106 17242 1
. GLU 107 107 17242 1
. LEU 108 108 17242 1
. SER 109 109 17242 1
. ASP 110 110 17242 1
. VAL 111 111 17242 1
. VAL 112 112 17242 1
. PRO 113 113 17242 1
. ASN 114 114 17242 1
. LEU 115 115 17242 1
. ASN 116 116 17242 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 17242
_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 $entity . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Eubacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 17242 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 17242
_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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-DE3 . . . . . . . . . . . . . . . pET-23b . . . . . . 17242 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_H2O_sample
_Sample.Sf_category sample
_Sample.Sf_framecode H2O_sample
_Sample.Entry_ID 17242
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_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 'Thioredoxin C' '[U-13C; U-15N]' . . 1 $entity . . 1.2 . . mM . . . . 17242 1
2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17242 1
stop_
save_
save_D2O_sample
_Sample.Sf_category sample
_Sample.Sf_framecode D2O_sample
_Sample.Entry_ID 17242
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_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 'Thioredoxin C' '[U-13C; U-15N]' . . 1 $entity . . 1.2 . . mM . . . . 17242 2
2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17242 2
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 17242
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.05 . M 17242 1
pH 6.3 . pH 17242 1
pressure 1 . atm 17242 1
temperature 273 . K 17242 1
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 17242
_Software.ID 1
_Software.Name CYANA
_Software.Version 2.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 17242 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 17242 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 17242
_Software.ID 2
_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' . . 17242 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 17242 2
stop_
save_
save_NMRView
_Software.Sf_category software
_Software.Sf_framecode NMRView
_Software.Entry_ID 17242
_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' . . 17242 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 17242 3
'data analysis' 17242 3
stop_
save_
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 17242
_Software.ID 4
_Software.Name SPARKY
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 17242 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 17242 4
'data analysis' 17242 4
'peak picking' 17242 4
stop_
save_
save_AMBER
_Software.Sf_category software
_Software.Sf_framecode AMBER
_Software.Entry_ID 17242
_Software.ID 5
_Software.Name AMBER
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 17242 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'geometry optimization' 17242 5
refinement 17242 5
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 17242
_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_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 17242
_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 Varian Varian INOVA . 600 . . . 17242 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 17242
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $H2O_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17242 1
2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $H2O_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17242 1
3 '3D C(CO)NH' no . . . . . . . . . . 1 $H2O_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17242 1
4 '3D HNCO' no . . . . . . . . . . 1 $H2O_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17242 1
5 '3D HNCA' no . . . . . . . . . . 1 $H2O_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17242 1
6 '3D HNCACB' no . . . . . . . . . . 1 $H2O_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17242 1
7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $H2O_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17242 1
8 '3D HN(CO)CA' no . . . . . . . . . . 1 $H2O_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17242 1
9 '3D H(CCO)NH' no . . . . . . . . . . 1 $H2O_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17242 1
10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $D2O_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17242 1
11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $H2O_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17242 1
12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $D2O_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17242 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 17242
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17242 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17242 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17242 1
P 31 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.404808636 . . . . . . . . . 17242 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 17242
_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 '2D 1H-15N HSQC' . . . 17242 1
2 '3D CBCA(CO)NH' . . . 17242 1
3 '3D C(CO)NH' . . . 17242 1
4 '3D HNCO' . . . 17242 1
5 '3D HNCA' . . . 17242 1
6 '3D HNCACB' . . . 17242 1
7 '3D HBHA(CO)NH' . . . 17242 1
8 '3D HN(CO)CA' . . . 17242 1
9 '3D H(CCO)NH' . . . 17242 1
10 '3D HCCH-TOCSY' . . . 17242 1
11 '3D 1H-15N NOESY' . . . 17242 1
12 '3D 1H-13C NOESY' . . . 17242 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $CYANA . . 17242 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 ASP HA H 1 4.698 0.000 . 1 . . . . 3 ASP HA . 17242 1
2 . 1 1 3 3 ASP HB2 H 1 2.627 0.000 . 2 . . . . 3 ASP HB2 . 17242 1
3 . 1 1 3 3 ASP HB3 H 1 2.760 0.000 . 2 . . . . 3 ASP HB3 . 17242 1
4 . 1 1 3 3 ASP CA C 13 55.063 0.000 . 1 . . . . 3 ASP CA . 17242 1
5 . 1 1 3 3 ASP CB C 13 41.232 0.000 . 1 . . . . 3 ASP CB . 17242 1
6 . 1 1 4 4 SER H H 1 8.414 0.001 . 1 . . . . 4 SER H . 17242 1
7 . 1 1 4 4 SER HA H 1 4.393 0.007 . 1 . . . . 4 SER HA . 17242 1
8 . 1 1 4 4 SER HB2 H 1 3.847 0.008 . 2 . . . . 4 SER HB2 . 17242 1
9 . 1 1 4 4 SER HB3 H 1 4.023 0.004 . 2 . . . . 4 SER HB3 . 17242 1
10 . 1 1 4 4 SER CA C 13 58.682 0.000 . 1 . . . . 4 SER CA . 17242 1
11 . 1 1 4 4 SER CB C 13 63.603 0.196 . 1 . . . . 4 SER CB . 17242 1
12 . 1 1 4 4 SER N N 15 116.388 0.014 . 1 . . . . 4 SER N . 17242 1
13 . 1 1 5 5 GLU H H 1 8.394 0.010 . 1 . . . . 5 GLU H . 17242 1
14 . 1 1 5 5 GLU HA H 1 4.271 0.009 . 1 . . . . 5 GLU HA . 17242 1
15 . 1 1 5 5 GLU HB2 H 1 1.937 0.012 . 2 . . . . 5 GLU HB2 . 17242 1
16 . 1 1 5 5 GLU HB3 H 1 2.038 0.007 . 2 . . . . 5 GLU HB3 . 17242 1
17 . 1 1 5 5 GLU HG2 H 1 2.225 0.010 . 2 . . . . 5 GLU HG2 . 17242 1
18 . 1 1 5 5 GLU HG3 H 1 2.267 0.006 . 2 . . . . 5 GLU HG3 . 17242 1
19 . 1 1 5 5 GLU CA C 13 56.626 0.011 . 1 . . . . 5 GLU CA . 17242 1
20 . 1 1 5 5 GLU CB C 13 29.908 0.144 . 1 . . . . 5 GLU CB . 17242 1
21 . 1 1 5 5 GLU CG C 13 36.218 0.031 . 1 . . . . 5 GLU CG . 17242 1
22 . 1 1 5 5 GLU N N 15 122.604 0.079 . 1 . . . . 5 GLU N . 17242 1
23 . 1 1 6 6 LYS H H 1 8.241 0.011 . 1 . . . . 6 LYS H . 17242 1
24 . 1 1 6 6 LYS HA H 1 4.341 0.002 . 1 . . . . 6 LYS HA . 17242 1
25 . 1 1 6 6 LYS HB2 H 1 1.727 0.005 . 2 . . . . 6 LYS HB2 . 17242 1
26 . 1 1 6 6 LYS HB3 H 1 1.808 0.014 . 2 . . . . 6 LYS HB3 . 17242 1
27 . 1 1 6 6 LYS HD2 H 1 1.394 0.003 . 2 . . . . 6 LYS QD . 17242 1
28 . 1 1 6 6 LYS HD3 H 1 1.394 0.003 . 2 . . . . 6 LYS QD . 17242 1
29 . 1 1 6 6 LYS HE2 H 1 2.982 0.000 . 2 . . . . 6 LYS QE . 17242 1
30 . 1 1 6 6 LYS HE3 H 1 2.982 0.000 . 2 . . . . 6 LYS QE . 17242 1
31 . 1 1 6 6 LYS HG2 H 1 1.672 0.000 . 2 . . . . 6 LYS QG . 17242 1
32 . 1 1 6 6 LYS HG3 H 1 1.672 0.000 . 2 . . . . 6 LYS QG . 17242 1
33 . 1 1 6 6 LYS CA C 13 56.050 0.000 . 1 . . . . 6 LYS CA . 17242 1
34 . 1 1 6 6 LYS CB C 13 33.182 0.087 . 1 . . . . 6 LYS CB . 17242 1
35 . 1 1 6 6 LYS CD C 13 29.023 0.000 . 1 . . . . 6 LYS CD . 17242 1
36 . 1 1 6 6 LYS CE C 13 42.302 0.000 . 1 . . . . 6 LYS CE . 17242 1
37 . 1 1 6 6 LYS CG C 13 24.474 0.000 . 1 . . . . 6 LYS CG . 17242 1
38 . 1 1 6 6 LYS N N 15 122.518 0.029 . 1 . . . . 6 LYS N . 17242 1
39 . 1 1 7 7 SER H H 1 8.260 0.001 . 1 . . . . 7 SER H . 17242 1
40 . 1 1 7 7 SER HA H 1 4.551 0.006 . 1 . . . . 7 SER HA . 17242 1
41 . 1 1 7 7 SER HB2 H 1 3.896 0.005 . 2 . . . . 7 SER HB2 . 17242 1
42 . 1 1 7 7 SER HB3 H 1 3.652 0.002 . 2 . . . . 7 SER HB3 . 17242 1
43 . 1 1 7 7 SER CA C 13 57.132 0.180 . 1 . . . . 7 SER CA . 17242 1
44 . 1 1 7 7 SER CB C 13 64.338 0.000 . 1 . . . . 7 SER CB . 17242 1
45 . 1 1 7 7 SER N N 15 117.134 0.030 . 1 . . . . 7 SER N . 17242 1
46 . 1 1 8 8 ALA H H 1 9.691 0.006 . 1 . . . . 8 ALA H . 17242 1
47 . 1 1 8 8 ALA HA H 1 4.454 0.001 . 1 . . . . 8 ALA HA . 17242 1
48 . 1 1 8 8 ALA HB1 H 1 1.378 0.013 . . . . . . 8 ALA QB . 17242 1
49 . 1 1 8 8 ALA HB2 H 1 1.378 0.013 . . . . . . 8 ALA QB . 17242 1
50 . 1 1 8 8 ALA HB3 H 1 1.378 0.013 . . . . . . 8 ALA QB . 17242 1
51 . 1 1 8 8 ALA CA C 13 52.590 0.033 . 1 . . . . 8 ALA CA . 17242 1
52 . 1 1 8 8 ALA CB C 13 20.124 0.000 . 1 . . . . 8 ALA CB . 17242 1
53 . 1 1 8 8 ALA N N 15 129.351 0.089 . 1 . . . . 8 ALA N . 17242 1
54 . 1 1 9 9 THR H H 1 8.335 0.006 . 1 . . . . 9 THR H . 17242 1
55 . 1 1 9 9 THR HA H 1 4.531 0.004 . 1 . . . . 9 THR HA . 17242 1
56 . 1 1 9 9 THR HB H 1 3.843 0.010 . 1 . . . . 9 THR HB . 17242 1
57 . 1 1 9 9 THR HG21 H 1 0.863 0.008 . . . . . . 9 THR QG2 . 17242 1
58 . 1 1 9 9 THR HG22 H 1 0.863 0.008 . . . . . . 9 THR QG2 . 17242 1
59 . 1 1 9 9 THR HG23 H 1 0.863 0.008 . . . . . . 9 THR QG2 . 17242 1
60 . 1 1 9 9 THR CA C 13 61.020 0.047 . 1 . . . . 9 THR CA . 17242 1
61 . 1 1 9 9 THR CB C 13 70.889 0.050 . 1 . . . . 9 THR CB . 17242 1
62 . 1 1 9 9 THR CG2 C 13 21.194 0.072 . 1 . . . . 9 THR CG2 . 17242 1
63 . 1 1 9 9 THR N N 15 111.119 0.009 . 1 . . . . 9 THR N . 17242 1
64 . 1 1 10 10 ILE H H 1 8.695 0.005 . 1 . . . . 10 ILE H . 17242 1
65 . 1 1 10 10 ILE HA H 1 4.651 0.002 . 1 . . . . 10 ILE HA . 17242 1
66 . 1 1 10 10 ILE HB H 1 1.800 0.010 . 1 . . . . 10 ILE HB . 17242 1
67 . 1 1 10 10 ILE HD11 H 1 0.642 0.010 . . . . . . 10 ILE QD1 . 17242 1
68 . 1 1 10 10 ILE HD12 H 1 0.642 0.010 . . . . . . 10 ILE QD1 . 17242 1
69 . 1 1 10 10 ILE HD13 H 1 0.642 0.010 . . . . . . 10 ILE QD1 . 17242 1
70 . 1 1 10 10 ILE HG12 H 1 1.311 0.007 . . . . . . 10 ILE QG1 . 17242 1
71 . 1 1 10 10 ILE HG13 H 1 1.311 0.007 . . . . . . 10 ILE QG1 . 17242 1
72 . 1 1 10 10 ILE HG21 H 1 0.843 0.007 . . . . . . 10 ILE QG2 . 17242 1
73 . 1 1 10 10 ILE HG22 H 1 0.843 0.007 . . . . . . 10 ILE QG2 . 17242 1
74 . 1 1 10 10 ILE HG23 H 1 0.843 0.007 . . . . . . 10 ILE QG2 . 17242 1
75 . 1 1 10 10 ILE CA C 13 59.562 0.042 . 1 . . . . 10 ILE CA . 17242 1
76 . 1 1 10 10 ILE CB C 13 40.114 0.000 . 1 . . . . 10 ILE CB . 17242 1
77 . 1 1 10 10 ILE CD1 C 13 13.430 0.064 . 1 . . . . 10 ILE CD1 . 17242 1
78 . 1 1 10 10 ILE CG1 C 13 26.463 0.000 . 1 . . . . 10 ILE CG1 . 17242 1
79 . 1 1 10 10 ILE CG2 C 13 17.374 0.000 . 1 . . . . 10 ILE CG2 . 17242 1
80 . 1 1 10 10 ILE N N 15 116.239 0.135 . 1 . . . . 10 ILE N . 17242 1
81 . 1 1 11 11 LYS H H 1 8.643 0.004 . 1 . . . . 11 LYS H . 17242 1
82 . 1 1 11 11 LYS HA H 1 4.735 0.006 . 1 . . . . 11 LYS HA . 17242 1
83 . 1 1 11 11 LYS HB2 H 1 1.790 0.005 . 2 . . . . 11 LYS QB . 17242 1
84 . 1 1 11 11 LYS HB3 H 1 1.790 0.005 . 2 . . . . 11 LYS QB . 17242 1
85 . 1 1 11 11 LYS HD2 H 1 1.618 0.004 . 2 . . . . 11 LYS QD . 17242 1
86 . 1 1 11 11 LYS HD3 H 1 1.618 0.004 . 2 . . . . 11 LYS QD . 17242 1
87 . 1 1 11 11 LYS HE2 H 1 3.014 0.000 . 2 . . . . 11 LYS QE . 17242 1
88 . 1 1 11 11 LYS HE3 H 1 3.014 0.000 . 2 . . . . 11 LYS QE . 17242 1
89 . 1 1 11 11 LYS HG2 H 1 1.226 0.010 . 2 . . . . 11 LYS QG . 17242 1
90 . 1 1 11 11 LYS HG3 H 1 1.226 0.010 . 2 . . . . 11 LYS QG . 17242 1
91 . 1 1 11 11 LYS CA C 13 56.240 0.001 . 1 . . . . 11 LYS CA . 17242 1
92 . 1 1 11 11 LYS CB C 13 33.245 0.000 . 1 . . . . 11 LYS CB . 17242 1
93 . 1 1 11 11 LYS CD C 13 29.625 0.000 . 1 . . . . 11 LYS CD . 17242 1
94 . 1 1 11 11 LYS CE C 13 42.143 0.000 . 1 . . . . 11 LYS CE . 17242 1
95 . 1 1 11 11 LYS CG C 13 25.259 0.020 . 1 . . . . 11 LYS CG . 17242 1
96 . 1 1 11 11 LYS N N 15 126.201 0.107 . 1 . . . . 11 LYS N . 17242 1
97 . 1 1 12 12 VAL H H 1 8.576 0.002 . 1 . . . . 12 VAL H . 17242 1
98 . 1 1 12 12 VAL HA H 1 4.687 0.009 . 1 . . . . 12 VAL HA . 17242 1
99 . 1 1 12 12 VAL HB H 1 1.969 0.010 . 1 . . . . 12 VAL HB . 17242 1
100 . 1 1 12 12 VAL HG11 H 1 0.820 0.009 . . . . . . 12 VAL QG1 . 17242 1
101 . 1 1 12 12 VAL HG12 H 1 0.820 0.009 . . . . . . 12 VAL QG1 . 17242 1
102 . 1 1 12 12 VAL HG13 H 1 0.820 0.009 . . . . . . 12 VAL QG1 . 17242 1
103 . 1 1 12 12 VAL HG21 H 1 0.748 0.007 . . . . . . 12 VAL QG2 . 17242 1
104 . 1 1 12 12 VAL HG22 H 1 0.748 0.007 . . . . . . 12 VAL QG2 . 17242 1
105 . 1 1 12 12 VAL HG23 H 1 0.748 0.007 . . . . . . 12 VAL QG2 . 17242 1
106 . 1 1 12 12 VAL CA C 13 59.077 0.082 . 1 . . . . 12 VAL CA . 17242 1
107 . 1 1 12 12 VAL CB C 13 35.040 0.055 . 1 . . . . 12 VAL CB . 17242 1
108 . 1 1 12 12 VAL CG1 C 13 22.622 0.074 . 2 . . . . 12 VAL CG1 . 17242 1
109 . 1 1 12 12 VAL CG2 C 13 20.256 0.000 . 2 . . . . 12 VAL CG2 . 17242 1
110 . 1 1 12 12 VAL N N 15 120.675 0.056 . 1 . . . . 12 VAL N . 17242 1
111 . 1 1 13 13 THR H H 1 8.135 0.002 . 1 . . . . 13 THR H . 17242 1
112 . 1 1 13 13 THR HA H 1 4.778 0.006 . 1 . . . . 13 THR HA . 17242 1
113 . 1 1 13 13 THR HB H 1 4.777 0.004 . 1 . . . . 13 THR HB . 17242 1
114 . 1 1 13 13 THR HG21 H 1 1.205 0.005 . . . . . . 13 THR QG2 . 17242 1
115 . 1 1 13 13 THR HG22 H 1 1.205 0.005 . . . . . . 13 THR QG2 . 17242 1
116 . 1 1 13 13 THR HG23 H 1 1.205 0.005 . . . . . . 13 THR QG2 . 17242 1
117 . 1 1 13 13 THR CA C 13 58.711 0.004 . 1 . . . . 13 THR CA . 17242 1
118 . 1 1 13 13 THR CB C 13 73.893 0.000 . 1 . . . . 13 THR CB . 17242 1
119 . 1 1 13 13 THR N N 15 110.422 0.032 . 1 . . . . 13 THR N . 17242 1
120 . 1 1 14 14 ASP H H 1 9.093 0.007 . 1 . . . . 14 ASP H . 17242 1
121 . 1 1 14 14 ASP HA H 1 4.328 0.004 . 1 . . . . 14 ASP HA . 17242 1
122 . 1 1 14 14 ASP HB2 H 1 2.705 0.007 . 2 . . . . 14 ASP HB2 . 17242 1
123 . 1 1 14 14 ASP HB3 H 1 2.814 0.015 . 2 . . . . 14 ASP HB3 . 17242 1
124 . 1 1 14 14 ASP CA C 13 58.096 0.059 . 1 . . . . 14 ASP CA . 17242 1
125 . 1 1 14 14 ASP CB C 13 40.722 0.128 . 1 . . . . 14 ASP CB . 17242 1
126 . 1 1 14 14 ASP N N 15 120.389 0.011 . 1 . . . . 14 ASP N . 17242 1
127 . 1 1 15 15 ALA H H 1 8.225 0.005 . 1 . . . . 15 ALA H . 17242 1
128 . 1 1 15 15 ALA HA H 1 4.310 0.009 . 1 . . . . 15 ALA HA . 17242 1
129 . 1 1 15 15 ALA HB1 H 1 1.450 0.007 . . . . . . 15 ALA QB . 17242 1
130 . 1 1 15 15 ALA HB2 H 1 1.450 0.007 . . . . . . 15 ALA QB . 17242 1
131 . 1 1 15 15 ALA HB3 H 1 1.450 0.007 . . . . . . 15 ALA QB . 17242 1
132 . 1 1 15 15 ALA CA C 13 54.086 0.014 . 1 . . . . 15 ALA CA . 17242 1
133 . 1 1 15 15 ALA CB C 13 18.715 0.079 . 1 . . . . 15 ALA CB . 17242 1
134 . 1 1 15 15 ALA N N 15 119.446 0.028 . 1 . . . . 15 ALA N . 17242 1
135 . 1 1 16 16 SER H H 1 8.132 0.003 . 1 . . . . 16 SER H . 17242 1
136 . 1 1 16 16 SER HA H 1 4.701 0.009 . 1 . . . . 16 SER HA . 17242 1
137 . 1 1 16 16 SER HB2 H 1 4.360 0.006 . 2 . . . . 16 SER HB2 . 17242 1
138 . 1 1 16 16 SER HB3 H 1 3.619 0.008 . 2 . . . . 16 SER HB3 . 17242 1
139 . 1 1 16 16 SER CA C 13 58.955 0.002 . 1 . . . . 16 SER CA . 17242 1
140 . 1 1 16 16 SER CB C 13 65.303 0.030 . 1 . . . . 16 SER CB . 17242 1
141 . 1 1 16 16 SER N N 15 115.620 0.070 . 1 . . . . 16 SER N . 17242 1
142 . 1 1 17 17 PHE H H 1 8.172 0.005 . 1 . . . . 17 PHE H . 17242 1
143 . 1 1 17 17 PHE HA H 1 3.603 0.004 . 1 . . . . 17 PHE HA . 17242 1
144 . 1 1 17 17 PHE HB2 H 1 3.541 0.014 . 2 . . . . 17 PHE HB2 . 17242 1
145 . 1 1 17 17 PHE HB3 H 1 3.038 0.005 . 2 . . . . 17 PHE HB3 . 17242 1
146 . 1 1 17 17 PHE HD1 H 1 6.926 0.003 . 3 . . . . 17 PHE QD . 17242 1
147 . 1 1 17 17 PHE HD2 H 1 6.926 0.003 . 3 . . . . 17 PHE QD . 17242 1
148 . 1 1 17 17 PHE HE1 H 1 6.675 0.009 . 3 . . . . 17 PHE QE . 17242 1
149 . 1 1 17 17 PHE HE2 H 1 6.675 0.009 . 3 . . . . 17 PHE QE . 17242 1
150 . 1 1 17 17 PHE HZ H 1 6.444 0.006 . 1 . . . . 17 PHE HZ . 17242 1
151 . 1 1 17 17 PHE CA C 13 64.042 0.038 . 1 . . . . 17 PHE CA . 17242 1
152 . 1 1 17 17 PHE CB C 13 39.999 0.048 . 1 . . . . 17 PHE CB . 17242 1
153 . 1 1 17 17 PHE CD1 C 13 131.972 0.114 . 3 . . . . 17 PHE CD1 . 17242 1
154 . 1 1 17 17 PHE CE1 C 13 130.748 0.071 . 3 . . . . 17 PHE CE1 . 17242 1
155 . 1 1 17 17 PHE CZ C 13 128.638 0.082 . 1 . . . . 17 PHE CZ . 17242 1
156 . 1 1 17 17 PHE N N 15 126.834 0.083 . 1 . . . . 17 PHE N . 17242 1
157 . 1 1 18 18 ALA H H 1 9.142 0.005 . 1 . . . . 18 ALA H . 17242 1
158 . 1 1 18 18 ALA HA H 1 3.937 0.010 . 1 . . . . 18 ALA HA . 17242 1
159 . 1 1 18 18 ALA HB1 H 1 1.558 0.007 . . . . . . 18 ALA QB . 17242 1
160 . 1 1 18 18 ALA HB2 H 1 1.558 0.007 . . . . . . 18 ALA QB . 17242 1
161 . 1 1 18 18 ALA HB3 H 1 1.558 0.007 . . . . . . 18 ALA QB . 17242 1
162 . 1 1 18 18 ALA CA C 13 55.676 0.034 . 1 . . . . 18 ALA CA . 17242 1
163 . 1 1 18 18 ALA CB C 13 17.528 0.016 . 1 . . . . 18 ALA CB . 17242 1
164 . 1 1 18 18 ALA N N 15 120.418 0.027 . 1 . . . . 18 ALA N . 17242 1
165 . 1 1 19 19 THR H H 1 7.864 0.005 . 1 . . . . 19 THR H . 17242 1
166 . 1 1 19 19 THR HA H 1 3.911 0.003 . 1 . . . . 19 THR HA . 17242 1
167 . 1 1 19 19 THR HB H 1 4.076 0.004 . 1 . . . . 19 THR HB . 17242 1
168 . 1 1 19 19 THR HG21 H 1 1.192 0.007 . . . . . . 19 THR QG2 . 17242 1
169 . 1 1 19 19 THR HG22 H 1 1.192 0.007 . . . . . . 19 THR QG2 . 17242 1
170 . 1 1 19 19 THR HG23 H 1 1.192 0.007 . . . . . . 19 THR QG2 . 17242 1
171 . 1 1 19 19 THR CA C 13 65.254 0.001 . 1 . . . . 19 THR CA . 17242 1
172 . 1 1 19 19 THR CB C 13 69.205 0.032 . 1 . . . . 19 THR CB . 17242 1
173 . 1 1 19 19 THR CG2 C 13 21.777 0.027 . 1 . . . . 19 THR CG2 . 17242 1
174 . 1 1 19 19 THR N N 15 113.363 0.032 . 1 . . . . 19 THR N . 17242 1
175 . 1 1 20 20 ASP H H 1 8.576 0.006 . 1 . . . . 20 ASP H . 17242 1
176 . 1 1 20 20 ASP HA H 1 4.274 0.007 . 1 . . . . 20 ASP HA . 17242 1
177 . 1 1 20 20 ASP HB2 H 1 2.271 0.009 . 2 . . . . 20 ASP QB . 17242 1
178 . 1 1 20 20 ASP HB3 H 1 2.271 0.009 . 2 . . . . 20 ASP QB . 17242 1
179 . 1 1 20 20 ASP CA C 13 56.648 0.049 . 1 . . . . 20 ASP CA . 17242 1
180 . 1 1 20 20 ASP CB C 13 42.156 0.042 . 1 . . . . 20 ASP CB . 17242 1
181 . 1 1 20 20 ASP N N 15 119.229 0.025 . 1 . . . . 20 ASP N . 17242 1
182 . 1 1 21 21 VAL H H 1 7.640 0.004 . 1 . . . . 21 VAL H . 17242 1
183 . 1 1 21 21 VAL HA H 1 3.843 0.008 . 1 . . . . 21 VAL HA . 17242 1
184 . 1 1 21 21 VAL HB H 1 0.581 0.001 . 1 . . . . 21 VAL HB . 17242 1
185 . 1 1 21 21 VAL HG11 H 1 -0.438 0.007 . . . . . . 21 VAL QG1 . 17242 1
186 . 1 1 21 21 VAL HG12 H 1 -0.438 0.007 . . . . . . 21 VAL QG1 . 17242 1
187 . 1 1 21 21 VAL HG13 H 1 -0.438 0.007 . . . . . . 21 VAL QG1 . 17242 1
188 . 1 1 21 21 VAL HG21 H 1 0.001 0.007 . . . . . . 21 VAL QG2 . 17242 1
189 . 1 1 21 21 VAL HG22 H 1 0.001 0.007 . . . . . . 21 VAL QG2 . 17242 1
190 . 1 1 21 21 VAL HG23 H 1 0.001 0.007 . . . . . . 21 VAL QG2 . 17242 1
191 . 1 1 21 21 VAL CA C 13 63.365 0.023 . 1 . . . . 21 VAL CA . 17242 1
192 . 1 1 21 21 VAL CB C 13 32.031 0.010 . 1 . . . . 21 VAL CB . 17242 1
193 . 1 1 21 21 VAL CG1 C 13 20.602 0.040 . 2 . . . . 21 VAL CG1 . 17242 1
194 . 1 1 21 21 VAL CG2 C 13 20.830 0.000 . 2 . . . . 21 VAL CG2 . 17242 1
195 . 1 1 21 21 VAL N N 15 113.358 0.015 . 1 . . . . 21 VAL N . 17242 1
196 . 1 1 22 22 LEU H H 1 7.149 0.002 . 1 . . . . 22 LEU H . 17242 1
197 . 1 1 22 22 LEU HA H 1 3.738 0.010 . 1 . . . . 22 LEU HA . 17242 1
198 . 1 1 22 22 LEU HB2 H 1 2.312 0.012 . 2 . . . . 22 LEU HB2 . 17242 1
199 . 1 1 22 22 LEU HB3 H 1 1.608 0.008 . 2 . . . . 22 LEU HB3 . 17242 1
200 . 1 1 22 22 LEU HD21 H 1 0.741 0.010 . . . . . . 22 LEU QD2 . 17242 1
201 . 1 1 22 22 LEU HD22 H 1 0.741 0.010 . . . . . . 22 LEU QD2 . 17242 1
202 . 1 1 22 22 LEU HD23 H 1 0.741 0.010 . . . . . . 22 LEU QD2 . 17242 1
203 . 1 1 22 22 LEU HG H 1 1.205 0.005 . 1 . . . . 22 LEU HG . 17242 1
204 . 1 1 22 22 LEU CA C 13 58.022 0.031 . 1 . . . . 22 LEU CA . 17242 1
205 . 1 1 22 22 LEU CB C 13 39.425 0.048 . 1 . . . . 22 LEU CB . 17242 1
206 . 1 1 22 22 LEU CD2 C 13 22.621 0.050 . 2 . . . . 22 LEU CD2 . 17242 1
207 . 1 1 22 22 LEU CG C 13 25.294 0.006 . 1 . . . . 22 LEU CG . 17242 1
208 . 1 1 22 22 LEU N N 15 115.492 0.037 . 1 . . . . 22 LEU N . 17242 1
209 . 1 1 23 23 SER H H 1 7.068 0.002 . 1 . . . . 23 SER H . 17242 1
210 . 1 1 23 23 SER HA H 1 4.551 0.007 . 1 . . . . 23 SER HA . 17242 1
211 . 1 1 23 23 SER HB2 H 1 4.043 0.015 . 2 . . . . 23 SER HB2 . 17242 1
212 . 1 1 23 23 SER HB3 H 1 4.059 0.010 . 2 . . . . 23 SER HB3 . 17242 1
213 . 1 1 23 23 SER CA C 13 58.077 0.159 . 1 . . . . 23 SER CA . 17242 1
214 . 1 1 23 23 SER CB C 13 63.339 0.051 . 1 . . . . 23 SER CB . 17242 1
215 . 1 1 23 23 SER N N 15 109.764 0.014 . 1 . . . . 23 SER N . 17242 1
216 . 1 1 24 24 SER H H 1 6.552 0.005 . 1 . . . . 24 SER H . 17242 1
217 . 1 1 24 24 SER HA H 1 4.270 0.006 . 1 . . . . 24 SER HA . 17242 1
218 . 1 1 24 24 SER HB2 H 1 3.693 0.005 . 2 . . . . 24 SER HB2 . 17242 1
219 . 1 1 24 24 SER HB3 H 1 3.787 0.003 . 2 . . . . 24 SER HB3 . 17242 1
220 . 1 1 24 24 SER CA C 13 57.924 0.035 . 1 . . . . 24 SER CA . 17242 1
221 . 1 1 24 24 SER CB C 13 63.904 0.010 . 1 . . . . 24 SER CB . 17242 1
222 . 1 1 24 24 SER N N 15 112.853 0.044 . 1 . . . . 24 SER N . 17242 1
223 . 1 1 25 25 ASN H H 1 8.943 0.002 . 1 . . . . 25 ASN H . 17242 1
224 . 1 1 25 25 ASN HA H 1 4.787 0.002 . 1 . . . . 25 ASN HA . 17242 1
225 . 1 1 25 25 ASN HB2 H 1 2.893 0.013 . 2 . . . . 25 ASN HB2 . 17242 1
226 . 1 1 25 25 ASN HB3 H 1 2.920 0.005 . 2 . . . . 25 ASN HB3 . 17242 1
227 . 1 1 25 25 ASN CA C 13 54.597 0.000 . 1 . . . . 25 ASN CA . 17242 1
228 . 1 1 25 25 ASN CB C 13 38.476 0.001 . 1 . . . . 25 ASN CB . 17242 1
229 . 1 1 25 25 ASN N N 15 127.681 0.019 . 1 . . . . 25 ASN N . 17242 1
230 . 1 1 26 26 LYS H H 1 7.820 0.006 . 1 . . . . 26 LYS H . 17242 1
231 . 1 1 26 26 LYS HA H 1 4.790 0.003 . 1 . . . . 26 LYS HA . 17242 1
232 . 1 1 26 26 LYS HB2 H 1 1.652 0.009 . 2 . . . . 26 LYS HB2 . 17242 1
233 . 1 1 26 26 LYS HB3 H 1 1.544 0.012 . 2 . . . . 26 LYS HB3 . 17242 1
234 . 1 1 26 26 LYS HD2 H 1 1.443 0.002 . 2 . . . . 26 LYS HD2 . 17242 1
235 . 1 1 26 26 LYS HD3 H 1 1.559 0.009 . 2 . . . . 26 LYS HD3 . 17242 1
236 . 1 1 26 26 LYS HE2 H 1 2.793 0.008 . 2 . . . . 26 LYS QE . 17242 1
237 . 1 1 26 26 LYS HE3 H 1 2.793 0.008 . 2 . . . . 26 LYS QE . 17242 1
238 . 1 1 26 26 LYS HG2 H 1 1.416 0.013 . 2 . . . . 26 LYS QG . 17242 1
239 . 1 1 26 26 LYS HG3 H 1 1.416 0.013 . 2 . . . . 26 LYS QG . 17242 1
240 . 1 1 26 26 LYS CA C 13 53.783 0.000 . 1 . . . . 26 LYS CA . 17242 1
241 . 1 1 26 26 LYS CB C 13 33.680 0.000 . 1 . . . . 26 LYS CB . 17242 1
242 . 1 1 26 26 LYS CD C 13 29.604 0.000 . 1 . . . . 26 LYS CD . 17242 1
243 . 1 1 26 26 LYS CE C 13 41.790 0.056 . 1 . . . . 26 LYS CE . 17242 1
244 . 1 1 26 26 LYS CG C 13 24.239 0.000 . 1 . . . . 26 LYS CG . 17242 1
245 . 1 1 26 26 LYS N N 15 120.623 0.133 . 1 . . . . 26 LYS N . 17242 1
246 . 1 1 27 27 PRO HA H 1 4.867 0.006 . 1 . . . . 27 PRO HA . 17242 1
247 . 1 1 27 27 PRO HB2 H 1 1.966 0.018 . 2 . . . . 27 PRO HB2 . 17242 1
248 . 1 1 27 27 PRO HB3 H 1 2.132 0.011 . 2 . . . . 27 PRO HB3 . 17242 1
249 . 1 1 27 27 PRO HD2 H 1 3.962 0.006 . 2 . . . . 27 PRO QD . 17242 1
250 . 1 1 27 27 PRO HD3 H 1 3.962 0.006 . 2 . . . . 27 PRO QD . 17242 1
251 . 1 1 27 27 PRO HG2 H 1 2.361 0.002 . 2 . . . . 27 PRO QG . 17242 1
252 . 1 1 27 27 PRO HG3 H 1 2.361 0.002 . 2 . . . . 27 PRO QG . 17242 1
253 . 1 1 27 27 PRO CA C 13 63.912 0.034 . 1 . . . . 27 PRO CA . 17242 1
254 . 1 1 27 27 PRO CB C 13 32.082 0.054 . 1 . . . . 27 PRO CB . 17242 1
255 . 1 1 27 27 PRO CD C 13 50.983 0.016 . 1 . . . . 27 PRO CD . 17242 1
256 . 1 1 27 27 PRO CG C 13 28.689 0.000 . 1 . . . . 27 PRO CG . 17242 1
257 . 1 1 28 28 VAL H H 1 8.638 0.010 . 1 . . . . 28 VAL H . 17242 1
258 . 1 1 28 28 VAL HA H 1 5.016 0.016 . 1 . . . . 28 VAL HA . 17242 1
259 . 1 1 28 28 VAL HB H 1 1.910 0.010 . 1 . . . . 28 VAL HB . 17242 1
260 . 1 1 28 28 VAL HG11 H 1 0.637 0.009 . . . . . . 28 VAL QG1 . 17242 1
261 . 1 1 28 28 VAL HG12 H 1 0.637 0.009 . . . . . . 28 VAL QG1 . 17242 1
262 . 1 1 28 28 VAL HG13 H 1 0.637 0.009 . . . . . . 28 VAL QG1 . 17242 1
263 . 1 1 28 28 VAL HG21 H 1 1.064 0.009 . . . . . . 28 VAL QG2 . 17242 1
264 . 1 1 28 28 VAL HG22 H 1 1.064 0.009 . . . . . . 28 VAL QG2 . 17242 1
265 . 1 1 28 28 VAL HG23 H 1 1.064 0.009 . . . . . . 28 VAL QG2 . 17242 1
266 . 1 1 28 28 VAL CA C 13 60.187 3.187 . 1 . . . . 28 VAL CA . 17242 1
267 . 1 1 28 28 VAL CB C 13 35.213 0.039 . 1 . . . . 28 VAL CB . 17242 1
268 . 1 1 28 28 VAL CG1 C 13 22.495 0.193 . 2 . . . . 28 VAL CG1 . 17242 1
269 . 1 1 28 28 VAL CG2 C 13 20.783 0.112 . 2 . . . . 28 VAL CG2 . 17242 1
270 . 1 1 28 28 VAL N N 15 120.208 0.065 . 1 . . . . 28 VAL N . 17242 1
271 . 1 1 29 29 LEU H H 1 9.398 0.006 . 1 . . . . 29 LEU H . 17242 1
272 . 1 1 29 29 LEU HA H 1 4.932 0.006 . 1 . . . . 29 LEU HA . 17242 1
273 . 1 1 29 29 LEU HB2 H 1 2.126 0.011 . 2 . . . . 29 LEU HB2 . 17242 1
274 . 1 1 29 29 LEU HB3 H 1 1.167 0.008 . 2 . . . . 29 LEU HB3 . 17242 1
275 . 1 1 29 29 LEU HD11 H 1 0.784 0.012 . . . . . . 29 LEU QD1 . 17242 1
276 . 1 1 29 29 LEU HD12 H 1 0.784 0.012 . . . . . . 29 LEU QD1 . 17242 1
277 . 1 1 29 29 LEU HD13 H 1 0.784 0.012 . . . . . . 29 LEU QD1 . 17242 1
278 . 1 1 29 29 LEU HD21 H 1 0.811 0.012 . . . . . . 29 LEU QD2 . 17242 1
279 . 1 1 29 29 LEU HD22 H 1 0.811 0.012 . . . . . . 29 LEU QD2 . 17242 1
280 . 1 1 29 29 LEU HD23 H 1 0.811 0.012 . . . . . . 29 LEU QD2 . 17242 1
281 . 1 1 29 29 LEU HG H 1 1.407 0.014 . 1 . . . . 29 LEU HG . 17242 1
282 . 1 1 29 29 LEU CA C 13 53.023 0.003 . 1 . . . . 29 LEU CA . 17242 1
283 . 1 1 29 29 LEU CB C 13 44.474 0.001 . 1 . . . . 29 LEU CB . 17242 1
284 . 1 1 29 29 LEU CD1 C 13 23.741 0.064 . 2 . . . . 29 LEU CD1 . 17242 1
285 . 1 1 29 29 LEU CD2 C 13 26.249 0.009 . 2 . . . . 29 LEU CD2 . 17242 1
286 . 1 1 29 29 LEU CG C 13 26.967 0.000 . 1 . . . . 29 LEU CG . 17242 1
287 . 1 1 29 29 LEU N N 15 130.791 0.011 . 1 . . . . 29 LEU N . 17242 1
288 . 1 1 30 30 VAL H H 1 9.595 0.004 . 1 . . . . 30 VAL H . 17242 1
289 . 1 1 30 30 VAL HA H 1 4.587 0.006 . 1 . . . . 30 VAL HA . 17242 1
290 . 1 1 30 30 VAL HB H 1 2.337 0.008 . 1 . . . . 30 VAL HB . 17242 1
291 . 1 1 30 30 VAL HG11 H 1 0.217 0.012 . . . . . . 30 VAL QG1 . 17242 1
292 . 1 1 30 30 VAL HG12 H 1 0.217 0.012 . . . . . . 30 VAL QG1 . 17242 1
293 . 1 1 30 30 VAL HG13 H 1 0.217 0.012 . . . . . . 30 VAL QG1 . 17242 1
294 . 1 1 30 30 VAL HG21 H 1 0.914 0.010 . . . . . . 30 VAL QG2 . 17242 1
295 . 1 1 30 30 VAL HG22 H 1 0.914 0.010 . . . . . . 30 VAL QG2 . 17242 1
296 . 1 1 30 30 VAL HG23 H 1 0.914 0.010 . . . . . . 30 VAL QG2 . 17242 1
297 . 1 1 30 30 VAL CA C 13 61.461 0.053 . 1 . . . . 30 VAL CA . 17242 1
298 . 1 1 30 30 VAL CB C 13 33.043 0.034 . 1 . . . . 30 VAL CB . 17242 1
299 . 1 1 30 30 VAL CG1 C 13 22.307 0.029 . 2 . . . . 30 VAL CG1 . 17242 1
300 . 1 1 30 30 VAL CG2 C 13 24.538 0.000 . 2 . . . . 30 VAL CG2 . 17242 1
301 . 1 1 30 30 VAL N N 15 127.755 0.045 . 1 . . . . 30 VAL N . 17242 1
302 . 1 1 31 31 ASP H H 1 9.169 0.007 . 1 . . . . 31 ASP H . 17242 1
303 . 1 1 31 31 ASP HA H 1 5.024 0.013 . 1 . . . . 31 ASP HA . 17242 1
304 . 1 1 31 31 ASP HB2 H 1 2.226 0.004 . 2 . . . . 31 ASP HB2 . 17242 1
305 . 1 1 31 31 ASP HB3 H 1 2.929 0.006 . 2 . . . . 31 ASP HB3 . 17242 1
306 . 1 1 31 31 ASP CA C 13 52.327 0.012 . 1 . . . . 31 ASP CA . 17242 1
307 . 1 1 31 31 ASP CB C 13 40.487 0.127 . 1 . . . . 31 ASP CB . 17242 1
308 . 1 1 31 31 ASP N N 15 125.859 0.036 . 1 . . . . 31 ASP N . 17242 1
309 . 1 1 32 32 PHE H H 1 9.266 0.007 . 1 . . . . 32 PHE H . 17242 1
310 . 1 1 32 32 PHE HA H 1 5.292 0.006 . 1 . . . . 32 PHE HA . 17242 1
311 . 1 1 32 32 PHE HB2 H 1 3.626 0.009 . 2 . . . . 32 PHE HB2 . 17242 1
312 . 1 1 32 32 PHE HB3 H 1 2.647 0.011 . 2 . . . . 32 PHE HB3 . 17242 1
313 . 1 1 32 32 PHE HD1 H 1 7.374 0.007 . 3 . . . . 32 PHE QD . 17242 1
314 . 1 1 32 32 PHE HD2 H 1 7.374 0.007 . 3 . . . . 32 PHE QD . 17242 1
315 . 1 1 32 32 PHE HE1 H 1 7.001 0.002 . 3 . . . . 32 PHE QE . 17242 1
316 . 1 1 32 32 PHE HE2 H 1 7.001 0.002 . 3 . . . . 32 PHE QE . 17242 1
317 . 1 1 32 32 PHE HZ H 1 6.865 0.006 . 1 . . . . 32 PHE HZ . 17242 1
318 . 1 1 32 32 PHE CA C 13 58.094 0.056 . 1 . . . . 32 PHE CA . 17242 1
319 . 1 1 32 32 PHE CB C 13 38.298 0.121 . 1 . . . . 32 PHE CB . 17242 1
320 . 1 1 32 32 PHE CD1 C 13 132.812 0.116 . 3 . . . . 32 PHE CD1 . 17242 1
321 . 1 1 32 32 PHE CZ C 13 127.776 0.072 . 1 . . . . 32 PHE CZ . 17242 1
322 . 1 1 32 32 PHE N N 15 128.566 0.030 . 1 . . . . 32 PHE N . 17242 1
323 . 1 1 33 33 TRP H H 1 8.604 0.008 . 1 . . . . 33 TRP H . 17242 1
324 . 1 1 33 33 TRP HA H 1 5.192 0.007 . 1 . . . . 33 TRP HA . 17242 1
325 . 1 1 33 33 TRP HB2 H 1 3.061 0.003 . 2 . . . . 33 TRP HB2 . 17242 1
326 . 1 1 33 33 TRP HB3 H 1 3.404 0.004 . 2 . . . . 33 TRP HB3 . 17242 1
327 . 1 1 33 33 TRP HD1 H 1 7.232 0.008 . 1 . . . . 33 TRP HD1 . 17242 1
328 . 1 1 33 33 TRP HE1 H 1 10.368 0.005 . 1 . . . . 33 TRP HE1 . 17242 1
329 . 1 1 33 33 TRP HH2 H 1 7.125 0.010 . 1 . . . . 33 TRP HH2 . 17242 1
330 . 1 1 33 33 TRP HZ2 H 1 7.484 0.003 . 1 . . . . 33 TRP HZ2 . 17242 1
331 . 1 1 33 33 TRP HZ3 H 1 6.863 0.005 . 1 . . . . 33 TRP HZ3 . 17242 1
332 . 1 1 33 33 TRP CA C 13 54.545 0.046 . 1 . . . . 33 TRP CA . 17242 1
333 . 1 1 33 33 TRP CB C 13 32.813 0.000 . 1 . . . . 33 TRP CB . 17242 1
334 . 1 1 33 33 TRP CD1 C 13 126.151 0.092 . 1 . . . . 33 TRP CD1 . 17242 1
335 . 1 1 33 33 TRP CH2 C 13 124.582 0.074 . 1 . . . . 33 TRP CH2 . 17242 1
336 . 1 1 33 33 TRP CZ2 C 13 114.248 0.051 . 1 . . . . 33 TRP CZ2 . 17242 1
337 . 1 1 33 33 TRP CZ3 C 13 121.359 0.117 . 1 . . . . 33 TRP CZ3 . 17242 1
338 . 1 1 33 33 TRP N N 15 122.476 0.055 . 1 . . . . 33 TRP N . 17242 1
339 . 1 1 33 33 TRP NE1 N 15 129.830 0.012 . 1 . . . . 33 TRP NE1 . 17242 1
340 . 1 1 34 34 ALA H H 1 7.032 0.003 . 1 . . . . 34 ALA H . 17242 1
341 . 1 1 34 34 ALA HA H 1 3.728 0.013 . 1 . . . . 34 ALA HA . 17242 1
342 . 1 1 34 34 ALA HB1 H 1 0.348 0.007 . . . . . . 34 ALA QB . 17242 1
343 . 1 1 34 34 ALA HB2 H 1 0.348 0.007 . . . . . . 34 ALA QB . 17242 1
344 . 1 1 34 34 ALA HB3 H 1 0.348 0.007 . . . . . . 34 ALA QB . 17242 1
345 . 1 1 34 34 ALA CA C 13 51.299 0.000 . 1 . . . . 34 ALA CA . 17242 1
346 . 1 1 34 34 ALA CB C 13 22.663 0.003 . 1 . . . . 34 ALA CB . 17242 1
347 . 1 1 34 34 ALA N N 15 116.614 0.023 . 1 . . . . 34 ALA N . 17242 1
348 . 1 1 35 35 THR H H 1 9.334 0.003 . 1 . . . . 35 THR H . 17242 1
349 . 1 1 35 35 THR HA H 1 4.232 0.005 . 1 . . . . 35 THR HA . 17242 1
350 . 1 1 35 35 THR HB H 1 3.972 0.009 . 1 . . . . 35 THR HB . 17242 1
351 . 1 1 35 35 THR HG21 H 1 1.314 0.009 . . . . . . 35 THR QG2 . 17242 1
352 . 1 1 35 35 THR HG22 H 1 1.314 0.009 . . . . . . 35 THR QG2 . 17242 1
353 . 1 1 35 35 THR HG23 H 1 1.314 0.009 . . . . . . 35 THR QG2 . 17242 1
354 . 1 1 35 35 THR CG2 C 13 21.858 0.046 . 1 . . . . 35 THR CG2 . 17242 1
355 . 1 1 35 35 THR N N 15 115.455 0.052 . 1 . . . . 35 THR N . 17242 1
356 . 1 1 36 36 TRP H H 1 6.564 0.006 . 1 . . . . 36 TRP H . 17242 1
357 . 1 1 36 36 TRP HA H 1 4.564 0.015 . 1 . . . . 36 TRP HA . 17242 1
358 . 1 1 36 36 TRP HB2 H 1 3.692 0.007 . 2 . . . . 36 TRP HB2 . 17242 1
359 . 1 1 36 36 TRP HB3 H 1 3.167 0.009 . 2 . . . . 36 TRP HB3 . 17242 1
360 . 1 1 36 36 TRP HD1 H 1 7.390 0.004 . 1 . . . . 36 TRP HD1 . 17242 1
361 . 1 1 36 36 TRP HE3 H 1 7.385 0.002 . 1 . . . . 36 TRP HE3 . 17242 1
362 . 1 1 36 36 TRP HH2 H 1 7.165 0.000 . 1 . . . . 36 TRP HH2 . 17242 1
363 . 1 1 36 36 TRP HZ2 H 1 7.360 0.002 . 1 . . . . 36 TRP HZ2 . 17242 1
364 . 1 1 36 36 TRP HZ3 H 1 7.384 0.000 . 1 . . . . 36 TRP HZ3 . 17242 1
365 . 1 1 36 36 TRP CA C 13 54.193 0.098 . 1 . . . . 36 TRP CA . 17242 1
366 . 1 1 36 36 TRP CB C 13 29.479 0.000 . 1 . . . . 36 TRP CB . 17242 1
367 . 1 1 36 36 TRP CD1 C 13 129.058 0.066 . 1 . . . . 36 TRP CD1 . 17242 1
368 . 1 1 36 36 TRP CE3 C 13 121.133 0.022 . 1 . . . . 36 TRP CE3 . 17242 1
369 . 1 1 36 36 TRP CZ2 C 13 115.188 0.094 . 1 . . . . 36 TRP CZ2 . 17242 1
370 . 1 1 36 36 TRP CZ3 C 13 121.116 0.000 . 1 . . . . 36 TRP CZ3 . 17242 1
371 . 1 1 36 36 TRP N N 15 114.739 0.018 . 1 . . . . 36 TRP N . 17242 1
372 . 1 1 37 37 CYS H H 1 6.521 0.009 . 1 . . . . 37 CYS H . 17242 1
373 . 1 1 37 37 CYS HA H 1 4.629 0.011 . 1 . . . . 37 CYS HA . 17242 1
374 . 1 1 37 37 CYS HB2 H 1 1.550 0.010 . 2 . . . . 37 CYS HB2 . 17242 1
375 . 1 1 37 37 CYS HB3 H 1 2.468 0.004 . 2 . . . . 37 CYS HB3 . 17242 1
376 . 1 1 37 37 CYS CA C 13 58.287 0.069 . 1 . . . . 37 CYS CA . 17242 1
377 . 1 1 37 37 CYS CB C 13 26.869 0.003 . 1 . . . . 37 CYS CB . 17242 1
378 . 1 1 37 37 CYS N N 15 122.120 0.018 . 1 . . . . 37 CYS N . 17242 1
379 . 1 1 38 38 GLY HA2 H 1 4.012 0.006 . 2 . . . . 38 GLY HA2 . 17242 1
380 . 1 1 38 38 GLY HA3 H 1 4.307 0.010 . 2 . . . . 38 GLY HA3 . 17242 1
381 . 1 1 38 38 GLY CA C 13 49.232 0.026 . 1 . . . . 38 GLY CA . 17242 1
382 . 1 1 39 39 PRO HA H 1 4.423 0.004 . 1 . . . . 39 PRO HA . 17242 1
383 . 1 1 39 39 PRO HB2 H 1 2.515 0.009 . 2 . . . . 39 PRO HB2 . 17242 1
384 . 1 1 39 39 PRO HB3 H 1 1.779 0.008 . 2 . . . . 39 PRO HB3 . 17242 1
385 . 1 1 39 39 PRO HD2 H 1 4.553 0.008 . 2 . . . . 39 PRO HD2 . 17242 1
386 . 1 1 39 39 PRO HD3 H 1 3.770 0.007 . 2 . . . . 39 PRO HD3 . 17242 1
387 . 1 1 39 39 PRO HG2 H 1 2.056 0.007 . 2 . . . . 39 PRO HG2 . 17242 1
388 . 1 1 39 39 PRO HG3 H 1 2.276 0.009 . 2 . . . . 39 PRO HG3 . 17242 1
389 . 1 1 39 39 PRO CA C 13 65.819 0.000 . 1 . . . . 39 PRO CA . 17242 1
390 . 1 1 39 39 PRO CB C 13 32.618 0.000 . 1 . . . . 39 PRO CB . 17242 1
391 . 1 1 39 39 PRO CD C 13 51.759 0.044 . 1 . . . . 39 PRO CD . 17242 1
392 . 1 1 39 39 PRO CG C 13 28.036 0.107 . 1 . . . . 39 PRO CG . 17242 1
393 . 1 1 40 40 CYS H H 1 7.875 0.003 . 1 . . . . 40 CYS H . 17242 1
394 . 1 1 40 40 CYS HA H 1 4.121 0.011 . 1 . . . . 40 CYS HA . 17242 1
395 . 1 1 40 40 CYS HB2 H 1 3.410 0.002 . 2 . . . . 40 CYS HB2 . 17242 1
396 . 1 1 40 40 CYS HB3 H 1 3.607 0.013 . 2 . . . . 40 CYS HB3 . 17242 1
397 . 1 1 40 40 CYS CA C 13 64.025 0.037 . 1 . . . . 40 CYS CA . 17242 1
398 . 1 1 40 40 CYS CB C 13 27.621 0.003 . 1 . . . . 40 CYS CB . 17242 1
399 . 1 1 40 40 CYS N N 15 114.401 0.029 . 1 . . . . 40 CYS N . 17242 1
400 . 1 1 41 41 LYS H H 1 8.116 0.005 . 1 . . . . 41 LYS H . 17242 1
401 . 1 1 41 41 LYS HA H 1 4.121 0.010 . 1 . . . . 41 LYS HA . 17242 1
402 . 1 1 41 41 LYS HB2 H 1 1.980 0.004 . 2 . . . . 41 LYS HB2 . 17242 1
403 . 1 1 41 41 LYS HB3 H 1 2.034 0.009 . 2 . . . . 41 LYS HB3 . 17242 1
404 . 1 1 41 41 LYS HD2 H 1 1.780 0.008 . 2 . . . . 41 LYS HD2 . 17242 1
405 . 1 1 41 41 LYS HD3 H 1 1.741 0.000 . 2 . . . . 41 LYS HD3 . 17242 1
406 . 1 1 41 41 LYS HE2 H 1 3.052 0.006 . 2 . . . . 41 LYS QE . 17242 1
407 . 1 1 41 41 LYS HE3 H 1 3.052 0.006 . 2 . . . . 41 LYS QE . 17242 1
408 . 1 1 41 41 LYS HG2 H 1 1.512 0.002 . 2 . . . . 41 LYS HG2 . 17242 1
409 . 1 1 41 41 LYS HG3 H 1 1.642 0.000 . 2 . . . . 41 LYS HG3 . 17242 1
410 . 1 1 41 41 LYS CA C 13 58.954 0.093 . 1 . . . . 41 LYS CA . 17242 1
411 . 1 1 41 41 LYS CB C 13 32.060 0.000 . 1 . . . . 41 LYS CB . 17242 1
412 . 1 1 41 41 LYS CD C 13 29.237 0.000 . 1 . . . . 41 LYS CD . 17242 1
413 . 1 1 41 41 LYS CE C 13 42.167 0.124 . 1 . . . . 41 LYS CE . 17242 1
414 . 1 1 41 41 LYS CG C 13 25.469 0.000 . 1 . . . . 41 LYS CG . 17242 1
415 . 1 1 41 41 LYS N N 15 119.964 0.081 . 1 . . . . 41 LYS N . 17242 1
416 . 1 1 42 42 MET H H 1 7.397 0.004 . 1 . . . . 42 MET H . 17242 1
417 . 1 1 42 42 MET HA H 1 4.328 0.005 . 1 . . . . 42 MET HA . 17242 1
418 . 1 1 42 42 MET HB2 H 1 2.195 0.007 . 2 . . . . 42 MET QB . 17242 1
419 . 1 1 42 42 MET HB3 H 1 2.195 0.007 . 2 . . . . 42 MET QB . 17242 1
420 . 1 1 42 42 MET HG2 H 1 2.571 0.005 . 2 . . . . 42 MET HG2 . 17242 1
421 . 1 1 42 42 MET HG3 H 1 2.674 0.011 . 2 . . . . 42 MET HG3 . 17242 1
422 . 1 1 42 42 MET CA C 13 57.324 0.001 . 1 . . . . 42 MET CA . 17242 1
423 . 1 1 42 42 MET CB C 13 32.204 0.000 . 1 . . . . 42 MET CB . 17242 1
424 . 1 1 42 42 MET CG C 13 32.115 0.007 . 1 . . . . 42 MET CG . 17242 1
425 . 1 1 42 42 MET N N 15 116.264 0.045 . 1 . . . . 42 MET N . 17242 1
426 . 1 1 43 43 VAL H H 1 7.236 0.007 . 1 . . . . 43 VAL H . 17242 1
427 . 1 1 43 43 VAL HA H 1 4.143 0.007 . 1 . . . . 43 VAL HA . 17242 1
428 . 1 1 43 43 VAL HB H 1 2.098 0.011 . 1 . . . . 43 VAL HB . 17242 1
429 . 1 1 43 43 VAL HG11 H 1 0.998 0.010 . . . . . . 43 VAL QG1 . 17242 1
430 . 1 1 43 43 VAL HG12 H 1 0.998 0.010 . . . . . . 43 VAL QG1 . 17242 1
431 . 1 1 43 43 VAL HG13 H 1 0.998 0.010 . . . . . . 43 VAL QG1 . 17242 1
432 . 1 1 43 43 VAL HG21 H 1 1.158 0.013 . . . . . . 43 VAL QG2 . 17242 1
433 . 1 1 43 43 VAL HG22 H 1 1.158 0.013 . . . . . . 43 VAL QG2 . 17242 1
434 . 1 1 43 43 VAL HG23 H 1 1.158 0.013 . . . . . . 43 VAL QG2 . 17242 1
435 . 1 1 43 43 VAL CA C 13 62.943 0.007 . 1 . . . . 43 VAL CA . 17242 1
436 . 1 1 43 43 VAL CB C 13 33.395 0.167 . 1 . . . . 43 VAL CB . 17242 1
437 . 1 1 43 43 VAL CG1 C 13 20.769 0.000 . 2 . . . . 43 VAL CG1 . 17242 1
438 . 1 1 43 43 VAL CG2 C 13 22.306 0.095 . 2 . . . . 43 VAL CG2 . 17242 1
439 . 1 1 43 43 VAL N N 15 115.791 0.029 . 1 . . . . 43 VAL N . 17242 1
440 . 1 1 44 44 ALA H H 1 7.369 0.008 . 1 . . . . 44 ALA H . 17242 1
441 . 1 1 44 44 ALA HA H 1 3.916 0.006 . 1 . . . . 44 ALA HA . 17242 1
442 . 1 1 44 44 ALA HB1 H 1 1.368 0.007 . . . . . . 44 ALA QB . 17242 1
443 . 1 1 44 44 ALA HB2 H 1 1.368 0.007 . . . . . . 44 ALA QB . 17242 1
444 . 1 1 44 44 ALA HB3 H 1 1.368 0.007 . . . . . . 44 ALA QB . 17242 1
445 . 1 1 44 44 ALA CA C 13 57.560 0.031 . 1 . . . . 44 ALA CA . 17242 1
446 . 1 1 44 44 ALA CB C 13 15.381 0.031 . 1 . . . . 44 ALA CB . 17242 1
447 . 1 1 44 44 ALA N N 15 123.443 0.010 . 1 . . . . 44 ALA N . 17242 1
448 . 1 1 45 45 PRO HA H 1 4.323 0.005 . 1 . . . . 45 PRO HA . 17242 1
449 . 1 1 45 45 PRO HB2 H 1 1.933 0.005 . 2 . . . . 45 PRO HB2 . 17242 1
450 . 1 1 45 45 PRO HB3 H 1 2.315 0.008 . 2 . . . . 45 PRO HB3 . 17242 1
451 . 1 1 45 45 PRO HD2 H 1 3.734 0.011 . 2 . . . . 45 PRO HD2 . 17242 1
452 . 1 1 45 45 PRO HD3 H 1 3.625 0.007 . 2 . . . . 45 PRO HD3 . 17242 1
453 . 1 1 45 45 PRO HG2 H 1 2.053 0.010 . 2 . . . . 45 PRO HG2 . 17242 1
454 . 1 1 45 45 PRO HG3 H 1 2.028 0.010 . 2 . . . . 45 PRO HG3 . 17242 1
455 . 1 1 45 45 PRO CA C 13 65.892 0.062 . 1 . . . . 45 PRO CA . 17242 1
456 . 1 1 45 45 PRO CB C 13 30.930 0.055 . 1 . . . . 45 PRO CB . 17242 1
457 . 1 1 45 45 PRO CD C 13 50.571 0.052 . 1 . . . . 45 PRO CD . 17242 1
458 . 1 1 45 45 PRO CG C 13 28.218 0.085 . 1 . . . . 45 PRO CG . 17242 1
459 . 1 1 46 46 VAL H H 1 6.742 0.002 . 1 . . . . 46 VAL H . 17242 1
460 . 1 1 46 46 VAL HA H 1 3.731 0.004 . 1 . . . . 46 VAL HA . 17242 1
461 . 1 1 46 46 VAL HB H 1 2.363 0.011 . 1 . . . . 46 VAL HB . 17242 1
462 . 1 1 46 46 VAL HG11 H 1 0.854 0.011 . . . . . . 46 VAL QG1 . 17242 1
463 . 1 1 46 46 VAL HG12 H 1 0.854 0.011 . . . . . . 46 VAL QG1 . 17242 1
464 . 1 1 46 46 VAL HG13 H 1 0.854 0.011 . . . . . . 46 VAL QG1 . 17242 1
465 . 1 1 46 46 VAL HG21 H 1 1.157 0.008 . . . . . . 46 VAL QG2 . 17242 1
466 . 1 1 46 46 VAL HG22 H 1 1.157 0.008 . . . . . . 46 VAL QG2 . 17242 1
467 . 1 1 46 46 VAL HG23 H 1 1.157 0.008 . . . . . . 46 VAL QG2 . 17242 1
468 . 1 1 46 46 VAL CA C 13 65.533 0.058 . 1 . . . . 46 VAL CA . 17242 1
469 . 1 1 46 46 VAL CB C 13 31.690 0.004 . 1 . . . . 46 VAL CB . 17242 1
470 . 1 1 46 46 VAL CG1 C 13 21.243 0.070 . 2 . . . . 46 VAL CG1 . 17242 1
471 . 1 1 46 46 VAL CG2 C 13 22.201 0.027 . 2 . . . . 46 VAL CG2 . 17242 1
472 . 1 1 46 46 VAL N N 15 118.790 0.011 . 1 . . . . 46 VAL N . 17242 1
473 . 1 1 47 47 LEU H H 1 7.722 0.005 . 1 . . . . 47 LEU H . 17242 1
474 . 1 1 47 47 LEU HA H 1 3.841 0.010 . 1 . . . . 47 LEU HA . 17242 1
475 . 1 1 47 47 LEU HB2 H 1 1.212 0.010 . 2 . . . . 47 LEU HB2 . 17242 1
476 . 1 1 47 47 LEU HB3 H 1 1.886 0.008 . 2 . . . . 47 LEU HB3 . 17242 1
477 . 1 1 47 47 LEU HD11 H 1 0.634 0.009 . . . . . . 47 LEU QD1 . 17242 1
478 . 1 1 47 47 LEU HD12 H 1 0.634 0.009 . . . . . . 47 LEU QD1 . 17242 1
479 . 1 1 47 47 LEU HD13 H 1 0.634 0.009 . . . . . . 47 LEU QD1 . 17242 1
480 . 1 1 47 47 LEU HD21 H 1 0.697 0.010 . . . . . . 47 LEU QD2 . 17242 1
481 . 1 1 47 47 LEU HD22 H 1 0.697 0.010 . . . . . . 47 LEU QD2 . 17242 1
482 . 1 1 47 47 LEU HD23 H 1 0.697 0.010 . . . . . . 47 LEU QD2 . 17242 1
483 . 1 1 47 47 LEU HG H 1 1.720 0.011 . 1 . . . . 47 LEU HG . 17242 1
484 . 1 1 47 47 LEU CA C 13 57.447 0.044 . 1 . . . . 47 LEU CA . 17242 1
485 . 1 1 47 47 LEU CB C 13 40.806 0.059 . 1 . . . . 47 LEU CB . 17242 1
486 . 1 1 47 47 LEU CD1 C 13 22.211 0.000 . 2 . . . . 47 LEU CD1 . 17242 1
487 . 1 1 47 47 LEU CD2 C 13 26.583 0.064 . 2 . . . . 47 LEU CD2 . 17242 1
488 . 1 1 47 47 LEU CG C 13 26.558 0.000 . 1 . . . . 47 LEU CG . 17242 1
489 . 1 1 47 47 LEU N N 15 117.775 0.050 . 1 . . . . 47 LEU N . 17242 1
490 . 1 1 48 48 GLU H H 1 7.573 0.002 . 1 . . . . 48 GLU H . 17242 1
491 . 1 1 48 48 GLU HA H 1 3.864 0.005 . 1 . . . . 48 GLU HA . 17242 1
492 . 1 1 48 48 GLU HB2 H 1 2.135 0.006 . 2 . . . . 48 GLU HB2 . 17242 1
493 . 1 1 48 48 GLU HB3 H 1 2.044 0.013 . 2 . . . . 48 GLU HB3 . 17242 1
494 . 1 1 48 48 GLU HG2 H 1 2.315 0.007 . 2 . . . . 48 GLU QG . 17242 1
495 . 1 1 48 48 GLU HG3 H 1 2.315 0.007 . 2 . . . . 48 GLU QG . 17242 1
496 . 1 1 48 48 GLU CA C 13 58.952 0.001 . 1 . . . . 48 GLU CA . 17242 1
497 . 1 1 48 48 GLU CB C 13 28.890 0.004 . 1 . . . . 48 GLU CB . 17242 1
498 . 1 1 48 48 GLU CG C 13 34.875 0.000 . 1 . . . . 48 GLU CG . 17242 1
499 . 1 1 48 48 GLU N N 15 117.254 0.049 . 1 . . . . 48 GLU N . 17242 1
500 . 1 1 49 49 GLU H H 1 7.498 0.003 . 1 . . . . 49 GLU H . 17242 1
501 . 1 1 49 49 GLU HA H 1 4.059 0.004 . 1 . . . . 49 GLU HA . 17242 1
502 . 1 1 49 49 GLU HB2 H 1 2.029 0.009 . 2 . . . . 49 GLU HB2 . 17242 1
503 . 1 1 49 49 GLU HB3 H 1 2.182 0.010 . 2 . . . . 49 GLU HB3 . 17242 1
504 . 1 1 49 49 GLU HG2 H 1 2.533 0.006 . 2 . . . . 49 GLU HG2 . 17242 1
505 . 1 1 49 49 GLU HG3 H 1 2.121 0.004 . 2 . . . . 49 GLU HG3 . 17242 1
506 . 1 1 49 49 GLU CA C 13 59.829 0.030 . 1 . . . . 49 GLU CA . 17242 1
507 . 1 1 49 49 GLU CB C 13 29.693 0.039 . 1 . . . . 49 GLU CB . 17242 1
508 . 1 1 49 49 GLU CG C 13 36.677 0.004 . 1 . . . . 49 GLU CG . 17242 1
509 . 1 1 49 49 GLU N N 15 118.949 0.035 . 1 . . . . 49 GLU N . 17242 1
510 . 1 1 50 50 ILE H H 1 8.169 0.009 . 1 . . . . 50 ILE H . 17242 1
511 . 1 1 50 50 ILE HA H 1 3.491 0.007 . 1 . . . . 50 ILE HA . 17242 1
512 . 1 1 50 50 ILE HB H 1 1.686 0.008 . 1 . . . . 50 ILE HB . 17242 1
513 . 1 1 50 50 ILE HD11 H 1 0.816 0.021 . . . . . . 50 ILE QD1 . 17242 1
514 . 1 1 50 50 ILE HD12 H 1 0.816 0.021 . . . . . . 50 ILE QD1 . 17242 1
515 . 1 1 50 50 ILE HD13 H 1 0.816 0.021 . . . . . . 50 ILE QD1 . 17242 1
516 . 1 1 50 50 ILE HG12 H 1 1.858 0.007 . . . . . . 50 ILE QG1 . 17242 1
517 . 1 1 50 50 ILE HG13 H 1 1.858 0.007 . . . . . . 50 ILE QG1 . 17242 1
518 . 1 1 50 50 ILE HG21 H 1 0.627 0.011 . . . . . . 50 ILE QG2 . 17242 1
519 . 1 1 50 50 ILE HG22 H 1 0.627 0.011 . . . . . . 50 ILE QG2 . 17242 1
520 . 1 1 50 50 ILE HG23 H 1 0.627 0.011 . . . . . . 50 ILE QG2 . 17242 1
521 . 1 1 50 50 ILE CA C 13 66.070 0.039 . 1 . . . . 50 ILE CA . 17242 1
522 . 1 1 50 50 ILE CB C 13 38.343 0.000 . 1 . . . . 50 ILE CB . 17242 1
523 . 1 1 50 50 ILE CG1 C 13 29.625 0.093 . 1 . . . . 50 ILE CG1 . 17242 1
524 . 1 1 50 50 ILE CG2 C 13 16.530 0.040 . 1 . . . . 50 ILE CG2 . 17242 1
525 . 1 1 50 50 ILE N N 15 118.486 0.023 . 1 . . . . 50 ILE N . 17242 1
526 . 1 1 51 51 ALA H H 1 8.497 0.003 . 1 . . . . 51 ALA H . 17242 1
527 . 1 1 51 51 ALA HA H 1 3.832 0.010 . 1 . . . . 51 ALA HA . 17242 1
528 . 1 1 51 51 ALA HB1 H 1 1.332 0.011 . . . . . . 51 ALA QB . 17242 1
529 . 1 1 51 51 ALA HB2 H 1 1.332 0.011 . . . . . . 51 ALA QB . 17242 1
530 . 1 1 51 51 ALA HB3 H 1 1.332 0.011 . . . . . . 51 ALA QB . 17242 1
531 . 1 1 51 51 ALA CA C 13 54.679 0.052 . 1 . . . . 51 ALA CA . 17242 1
532 . 1 1 51 51 ALA CB C 13 19.160 0.026 . 1 . . . . 51 ALA CB . 17242 1
533 . 1 1 51 51 ALA N N 15 119.695 0.025 . 1 . . . . 51 ALA N . 17242 1
534 . 1 1 52 52 THR H H 1 7.563 0.006 . 1 . . . . 52 THR H . 17242 1
535 . 1 1 52 52 THR HA H 1 4.060 0.003 . 1 . . . . 52 THR HA . 17242 1
536 . 1 1 52 52 THR HB H 1 4.265 0.010 . 1 . . . . 52 THR HB . 17242 1
537 . 1 1 52 52 THR HG21 H 1 1.279 0.007 . . . . . . 52 THR QG2 . 17242 1
538 . 1 1 52 52 THR HG22 H 1 1.279 0.007 . . . . . . 52 THR QG2 . 17242 1
539 . 1 1 52 52 THR HG23 H 1 1.279 0.007 . . . . . . 52 THR QG2 . 17242 1
540 . 1 1 52 52 THR CA C 13 65.423 0.074 . 1 . . . . 52 THR CA . 17242 1
541 . 1 1 52 52 THR CB C 13 69.350 0.014 . 1 . . . . 52 THR CB . 17242 1
542 . 1 1 52 52 THR CG2 C 13 21.510 0.068 . 1 . . . . 52 THR CG2 . 17242 1
543 . 1 1 52 52 THR N N 15 110.660 0.035 . 1 . . . . 52 THR N . 17242 1
544 . 1 1 53 53 GLU H H 1 8.578 0.005 . 1 . . . . 53 GLU H . 17242 1
545 . 1 1 53 53 GLU HA H 1 4.097 0.007 . 1 . . . . 53 GLU HA . 17242 1
546 . 1 1 53 53 GLU HB2 H 1 2.100 0.009 . 2 . . . . 53 GLU HB2 . 17242 1
547 . 1 1 53 53 GLU HB3 H 1 1.996 0.005 . 2 . . . . 53 GLU HB3 . 17242 1
548 . 1 1 53 53 GLU HG2 H 1 2.274 0.005 . 2 . . . . 53 GLU HG2 . 17242 1
549 . 1 1 53 53 GLU HG3 H 1 2.492 0.008 . 2 . . . . 53 GLU HG3 . 17242 1
550 . 1 1 53 53 GLU CA C 13 59.040 0.109 . 1 . . . . 53 GLU CA . 17242 1
551 . 1 1 53 53 GLU CB C 13 30.696 0.003 . 1 . . . . 53 GLU CB . 17242 1
552 . 1 1 53 53 GLU CG C 13 36.682 0.029 . 1 . . . . 53 GLU CG . 17242 1
553 . 1 1 53 53 GLU N N 15 121.274 0.039 . 1 . . . . 53 GLU N . 17242 1
554 . 1 1 54 54 ARG H H 1 8.328 0.002 . 1 . . . . 54 ARG H . 17242 1
555 . 1 1 54 54 ARG HA H 1 4.943 0.007 . 1 . . . . 54 ARG HA . 17242 1
556 . 1 1 54 54 ARG HB2 H 1 1.804 0.008 . 2 . . . . 54 ARG HB2 . 17242 1
557 . 1 1 54 54 ARG HB3 H 1 2.185 0.007 . 2 . . . . 54 ARG HB3 . 17242 1
558 . 1 1 54 54 ARG HD2 H 1 3.197 0.007 . 2 . . . . 54 ARG HD2 . 17242 1
559 . 1 1 54 54 ARG HD3 H 1 3.127 0.010 . 2 . . . . 54 ARG HD3 . 17242 1
560 . 1 1 54 54 ARG HG2 H 1 1.478 0.007 . 2 . . . . 54 ARG HG2 . 17242 1
561 . 1 1 54 54 ARG HG3 H 1 1.621 0.004 . 2 . . . . 54 ARG HG3 . 17242 1
562 . 1 1 54 54 ARG CA C 13 52.424 0.000 . 1 . . . . 54 ARG CA . 17242 1
563 . 1 1 54 54 ARG CB C 13 27.725 0.043 . 1 . . . . 54 ARG CB . 17242 1
564 . 1 1 54 54 ARG CD C 13 42.008 0.011 . 1 . . . . 54 ARG CD . 17242 1
565 . 1 1 54 54 ARG CG C 13 26.283 0.049 . 1 . . . . 54 ARG CG . 17242 1
566 . 1 1 54 54 ARG N N 15 114.925 0.019 . 1 . . . . 54 ARG N . 17242 1
567 . 1 1 55 55 ALA H H 1 6.758 0.003 . 1 . . . . 55 ALA H . 17242 1
568 . 1 1 55 55 ALA HA H 1 4.366 0.006 . 1 . . . . 55 ALA HA . 17242 1
569 . 1 1 55 55 ALA HB1 H 1 1.610 0.011 . . . . . . 55 ALA QB . 17242 1
570 . 1 1 55 55 ALA HB2 H 1 1.610 0.011 . . . . . . 55 ALA QB . 17242 1
571 . 1 1 55 55 ALA HB3 H 1 1.610 0.011 . . . . . . 55 ALA QB . 17242 1
572 . 1 1 55 55 ALA CA C 13 55.476 0.000 . 1 . . . . 55 ALA CA . 17242 1
573 . 1 1 55 55 ALA CB C 13 19.174 0.003 . 1 . . . . 55 ALA CB . 17242 1
574 . 1 1 55 55 ALA N N 15 122.065 0.036 . 1 . . . . 55 ALA N . 17242 1
575 . 1 1 56 56 THR H H 1 8.201 0.002 . 1 . . . . 56 THR H . 17242 1
576 . 1 1 56 56 THR HA H 1 4.165 0.000 . 1 . . . . 56 THR HA . 17242 1
577 . 1 1 56 56 THR HB H 1 4.014 0.002 . 1 . . . . 56 THR HB . 17242 1
578 . 1 1 56 56 THR HG21 H 1 1.225 0.003 . . . . . . 56 THR QG2 . 17242 1
579 . 1 1 56 56 THR HG22 H 1 1.225 0.003 . . . . . . 56 THR QG2 . 17242 1
580 . 1 1 56 56 THR HG23 H 1 1.225 0.003 . . . . . . 56 THR QG2 . 17242 1
581 . 1 1 56 56 THR CB C 13 69.088 0.000 . 1 . . . . 56 THR CB . 17242 1
582 . 1 1 56 56 THR CG2 C 13 22.027 0.018 . 1 . . . . 56 THR CG2 . 17242 1
583 . 1 1 56 56 THR N N 15 107.259 0.023 . 1 . . . . 56 THR N . 17242 1
584 . 1 1 57 57 ASP H H 1 7.772 0.002 . 1 . . . . 57 ASP H . 17242 1
585 . 1 1 57 57 ASP HA H 1 4.746 0.008 . 1 . . . . 57 ASP HA . 17242 1
586 . 1 1 57 57 ASP HB2 H 1 2.459 0.004 . 2 . . . . 57 ASP HB2 . 17242 1
587 . 1 1 57 57 ASP HB3 H 1 2.573 0.005 . 2 . . . . 57 ASP HB3 . 17242 1
588 . 1 1 57 57 ASP CA C 13 55.276 0.000 . 1 . . . . 57 ASP CA . 17242 1
589 . 1 1 57 57 ASP CB C 13 44.260 0.000 . 1 . . . . 57 ASP CB . 17242 1
590 . 1 1 57 57 ASP N N 15 118.403 0.103 . 1 . . . . 57 ASP N . 17242 1
591 . 1 1 58 58 LEU H H 1 7.960 0.003 . 1 . . . . 58 LEU H . 17242 1
592 . 1 1 58 58 LEU HA H 1 4.764 0.013 . 1 . . . . 58 LEU HA . 17242 1
593 . 1 1 58 58 LEU HB2 H 1 1.621 0.006 . 2 . . . . 58 LEU HB2 . 17242 1
594 . 1 1 58 58 LEU HB3 H 1 1.269 0.005 . 2 . . . . 58 LEU HB3 . 17242 1
595 . 1 1 58 58 LEU HD11 H 1 0.654 0.011 . . . . . . 58 LEU QD1 . 17242 1
596 . 1 1 58 58 LEU HD12 H 1 0.654 0.011 . . . . . . 58 LEU QD1 . 17242 1
597 . 1 1 58 58 LEU HD13 H 1 0.654 0.011 . . . . . . 58 LEU QD1 . 17242 1
598 . 1 1 58 58 LEU HG H 1 1.417 0.007 . 1 . . . . 58 LEU HG . 17242 1
599 . 1 1 58 58 LEU CA C 13 54.675 0.076 . 1 . . . . 58 LEU CA . 17242 1
600 . 1 1 58 58 LEU CB C 13 45.758 0.001 . 1 . . . . 58 LEU CB . 17242 1
601 . 1 1 58 58 LEU CG C 13 26.361 0.000 . 1 . . . . 58 LEU CG . 17242 1
602 . 1 1 58 58 LEU N N 15 117.425 0.053 . 1 . . . . 58 LEU N . 17242 1
603 . 1 1 59 59 THR H H 1 8.510 0.002 . 1 . . . . 59 THR H . 17242 1
604 . 1 1 59 59 THR HA H 1 4.396 0.008 . 1 . . . . 59 THR HA . 17242 1
605 . 1 1 59 59 THR HB H 1 3.906 0.007 . 1 . . . . 59 THR HB . 17242 1
606 . 1 1 59 59 THR HG21 H 1 1.188 0.012 . . . . . . 59 THR QG2 . 17242 1
607 . 1 1 59 59 THR HG22 H 1 1.188 0.012 . . . . . . 59 THR QG2 . 17242 1
608 . 1 1 59 59 THR HG23 H 1 1.188 0.012 . . . . . . 59 THR QG2 . 17242 1
609 . 1 1 59 59 THR CA C 13 61.446 0.215 . 1 . . . . 59 THR CA . 17242 1
610 . 1 1 59 59 THR CB C 13 70.758 0.000 . 1 . . . . 59 THR CB . 17242 1
611 . 1 1 59 59 THR CG2 C 13 22.454 0.000 . 1 . . . . 59 THR CG2 . 17242 1
612 . 1 1 59 59 THR N N 15 122.451 0.031 . 1 . . . . 59 THR N . 17242 1
613 . 1 1 60 60 VAL H H 1 9.452 0.008 . 1 . . . . 60 VAL H . 17242 1
614 . 1 1 60 60 VAL HA H 1 4.925 0.011 . 1 . . . . 60 VAL HA . 17242 1
615 . 1 1 60 60 VAL HB H 1 1.827 0.004 . 1 . . . . 60 VAL HB . 17242 1
616 . 1 1 60 60 VAL HG11 H 1 0.824 0.008 . . . . . . 60 VAL QG1 . 17242 1
617 . 1 1 60 60 VAL HG12 H 1 0.824 0.008 . . . . . . 60 VAL QG1 . 17242 1
618 . 1 1 60 60 VAL HG13 H 1 0.824 0.008 . . . . . . 60 VAL QG1 . 17242 1
619 . 1 1 60 60 VAL HG21 H 1 0.797 0.009 . . . . . . 60 VAL QG2 . 17242 1
620 . 1 1 60 60 VAL HG22 H 1 0.797 0.009 . . . . . . 60 VAL QG2 . 17242 1
621 . 1 1 60 60 VAL HG23 H 1 0.797 0.009 . . . . . . 60 VAL QG2 . 17242 1
622 . 1 1 60 60 VAL CA C 13 61.309 0.004 . 1 . . . . 60 VAL CA . 17242 1
623 . 1 1 60 60 VAL CB C 13 33.159 0.003 . 1 . . . . 60 VAL CB . 17242 1
624 . 1 1 60 60 VAL CG1 C 13 22.000 0.000 . 2 . . . . 60 VAL CG1 . 17242 1
625 . 1 1 60 60 VAL CG2 C 13 20.865 0.050 . 2 . . . . 60 VAL CG2 . 17242 1
626 . 1 1 60 60 VAL N N 15 128.019 0.125 . 1 . . . . 60 VAL N . 17242 1
627 . 1 1 61 61 ALA H H 1 9.321 0.006 . 1 . . . . 61 ALA H . 17242 1
628 . 1 1 61 61 ALA HA H 1 5.487 0.006 . 1 . . . . 61 ALA HA . 17242 1
629 . 1 1 61 61 ALA HB1 H 1 0.974 0.007 . . . . . . 61 ALA QB . 17242 1
630 . 1 1 61 61 ALA HB2 H 1 0.974 0.007 . . . . . . 61 ALA QB . 17242 1
631 . 1 1 61 61 ALA HB3 H 1 0.974 0.007 . . . . . . 61 ALA QB . 17242 1
632 . 1 1 61 61 ALA CA C 13 48.742 0.038 . 1 . . . . 61 ALA CA . 17242 1
633 . 1 1 61 61 ALA CB C 13 24.366 0.022 . 1 . . . . 61 ALA CB . 17242 1
634 . 1 1 61 61 ALA N N 15 129.933 0.022 . 1 . . . . 61 ALA N . 17242 1
635 . 1 1 62 62 LYS H H 1 8.960 0.007 . 1 . . . . 62 LYS H . 17242 1
636 . 1 1 62 62 LYS HA H 1 4.970 0.008 . 1 . . . . 62 LYS HA . 17242 1
637 . 1 1 62 62 LYS HB2 H 1 1.733 0.003 . 2 . . . . 62 LYS QB . 17242 1
638 . 1 1 62 62 LYS HB3 H 1 1.733 0.003 . 2 . . . . 62 LYS QB . 17242 1
639 . 1 1 62 62 LYS HD2 H 1 1.326 0.006 . 2 . . . . 62 LYS QD . 17242 1
640 . 1 1 62 62 LYS HD3 H 1 1.326 0.006 . 2 . . . . 62 LYS QD . 17242 1
641 . 1 1 62 62 LYS HG2 H 1 1.162 0.011 . 2 . . . . 62 LYS QG . 17242 1
642 . 1 1 62 62 LYS HG3 H 1 1.162 0.011 . 2 . . . . 62 LYS QG . 17242 1
643 . 1 1 62 62 LYS CA C 13 55.192 0.043 . 1 . . . . 62 LYS CA . 17242 1
644 . 1 1 62 62 LYS CB C 13 34.618 0.049 . 1 . . . . 62 LYS CB . 17242 1
645 . 1 1 62 62 LYS CD C 13 28.643 0.011 . 1 . . . . 62 LYS CD . 17242 1
646 . 1 1 62 62 LYS CG C 13 24.481 0.160 . 1 . . . . 62 LYS CG . 17242 1
647 . 1 1 62 62 LYS N N 15 119.181 0.029 . 1 . . . . 62 LYS N . 17242 1
648 . 1 1 63 63 LEU H H 1 9.000 0.004 . 1 . . . . 63 LEU H . 17242 1
649 . 1 1 63 63 LEU HA H 1 4.716 0.010 . 1 . . . . 63 LEU HA . 17242 1
650 . 1 1 63 63 LEU HB2 H 1 1.251 0.013 . 2 . . . . 63 LEU HB2 . 17242 1
651 . 1 1 63 63 LEU HB3 H 1 0.783 0.008 . 2 . . . . 63 LEU HB3 . 17242 1
652 . 1 1 63 63 LEU HD11 H 1 0.718 0.010 . . . . . . 63 LEU QD1 . 17242 1
653 . 1 1 63 63 LEU HD12 H 1 0.718 0.010 . . . . . . 63 LEU QD1 . 17242 1
654 . 1 1 63 63 LEU HD13 H 1 0.718 0.010 . . . . . . 63 LEU QD1 . 17242 1
655 . 1 1 63 63 LEU HD21 H 1 0.850 0.013 . . . . . . 63 LEU QD2 . 17242 1
656 . 1 1 63 63 LEU HD22 H 1 0.850 0.013 . . . . . . 63 LEU QD2 . 17242 1
657 . 1 1 63 63 LEU HD23 H 1 0.850 0.013 . . . . . . 63 LEU QD2 . 17242 1
658 . 1 1 63 63 LEU HG H 1 1.310 0.012 . 1 . . . . 63 LEU HG . 17242 1
659 . 1 1 63 63 LEU CA C 13 53.557 0.018 . 1 . . . . 63 LEU CA . 17242 1
660 . 1 1 63 63 LEU CB C 13 44.364 0.000 . 1 . . . . 63 LEU CB . 17242 1
661 . 1 1 63 63 LEU CD2 C 13 25.451 0.055 . 2 . . . . 63 LEU CD2 . 17242 1
662 . 1 1 63 63 LEU CG C 13 28.071 0.006 . 1 . . . . 63 LEU CG . 17242 1
663 . 1 1 63 63 LEU N N 15 126.402 0.087 . 1 . . . . 63 LEU N . 17242 1
664 . 1 1 64 64 ASP H H 1 8.532 0.006 . 1 . . . . 64 ASP H . 17242 1
665 . 1 1 64 64 ASP HA H 1 3.861 0.011 . 1 . . . . 64 ASP HA . 17242 1
666 . 1 1 64 64 ASP HB2 H 1 2.357 0.012 . 2 . . . . 64 ASP HB2 . 17242 1
667 . 1 1 64 64 ASP HB3 H 1 2.487 0.007 . 2 . . . . 64 ASP HB3 . 17242 1
668 . 1 1 64 64 ASP CA C 13 52.420 0.026 . 1 . . . . 64 ASP CA . 17242 1
669 . 1 1 64 64 ASP CB C 13 40.566 0.041 . 1 . . . . 64 ASP CB . 17242 1
670 . 1 1 64 64 ASP N N 15 126.637 0.058 . 1 . . . . 64 ASP N . 17242 1
671 . 1 1 65 65 VAL H H 1 9.014 0.004 . 1 . . . . 65 VAL H . 17242 1
672 . 1 1 65 65 VAL HA H 1 3.816 0.008 . 1 . . . . 65 VAL HA . 17242 1
673 . 1 1 65 65 VAL HB H 1 2.227 0.009 . 1 . . . . 65 VAL HB . 17242 1
674 . 1 1 65 65 VAL HG11 H 1 0.932 0.010 . . . . . . 65 VAL QG1 . 17242 1
675 . 1 1 65 65 VAL HG12 H 1 0.932 0.010 . . . . . . 65 VAL QG1 . 17242 1
676 . 1 1 65 65 VAL HG13 H 1 0.932 0.010 . . . . . . 65 VAL QG1 . 17242 1
677 . 1 1 65 65 VAL HG21 H 1 1.204 0.008 . . . . . . 65 VAL QG2 . 17242 1
678 . 1 1 65 65 VAL HG22 H 1 1.204 0.008 . . . . . . 65 VAL QG2 . 17242 1
679 . 1 1 65 65 VAL HG23 H 1 1.204 0.008 . . . . . . 65 VAL QG2 . 17242 1
680 . 1 1 65 65 VAL CA C 13 64.463 0.030 . 1 . . . . 65 VAL CA . 17242 1
681 . 1 1 65 65 VAL CB C 13 31.372 0.000 . 1 . . . . 65 VAL CB . 17242 1
682 . 1 1 65 65 VAL CG1 C 13 18.710 0.024 . 2 . . . . 65 VAL CG1 . 17242 1
683 . 1 1 65 65 VAL CG2 C 13 23.428 0.000 . 2 . . . . 65 VAL CG2 . 17242 1
684 . 1 1 65 65 VAL N N 15 123.712 0.066 . 1 . . . . 65 VAL N . 17242 1
685 . 1 1 66 66 ASP H H 1 8.045 0.002 . 1 . . . . 66 ASP H . 17242 1
686 . 1 1 66 66 ASP HA H 1 4.553 0.009 . 1 . . . . 66 ASP HA . 17242 1
687 . 1 1 66 66 ASP HB2 H 1 2.702 0.005 . 2 . . . . 66 ASP HB2 . 17242 1
688 . 1 1 66 66 ASP HB3 H 1 2.904 0.011 . 2 . . . . 66 ASP HB3 . 17242 1
689 . 1 1 66 66 ASP CA C 13 57.094 0.150 . 1 . . . . 66 ASP CA . 17242 1
690 . 1 1 66 66 ASP CB C 13 40.647 0.111 . 1 . . . . 66 ASP CB . 17242 1
691 . 1 1 66 66 ASP N N 15 119.681 0.036 . 1 . . . . 66 ASP N . 17242 1
692 . 1 1 67 67 THR H H 1 6.870 0.002 . 1 . . . . 67 THR H . 17242 1
693 . 1 1 67 67 THR HA H 1 4.403 0.012 . 1 . . . . 67 THR HA . 17242 1
694 . 1 1 67 67 THR HB H 1 4.315 0.007 . 1 . . . . 67 THR HB . 17242 1
695 . 1 1 67 67 THR HG21 H 1 1.224 0.005 . . . . . . 67 THR QG2 . 17242 1
696 . 1 1 67 67 THR HG22 H 1 1.224 0.005 . . . . . . 67 THR QG2 . 17242 1
697 . 1 1 67 67 THR HG23 H 1 1.224 0.005 . . . . . . 67 THR QG2 . 17242 1
698 . 1 1 67 67 THR CA C 13 61.223 0.208 . 1 . . . . 67 THR CA . 17242 1
699 . 1 1 67 67 THR CB C 13 69.637 0.009 . 1 . . . . 67 THR CB . 17242 1
700 . 1 1 67 67 THR CG2 C 13 22.766 0.029 . 1 . . . . 67 THR CG2 . 17242 1
701 . 1 1 67 67 THR N N 15 106.834 0.058 . 1 . . . . 67 THR N . 17242 1
702 . 1 1 68 68 ASN H H 1 7.113 0.004 . 1 . . . . 68 ASN H . 17242 1
703 . 1 1 68 68 ASN HB2 H 1 2.227 0.006 . 2 . . . . 68 ASN HB2 . 17242 1
704 . 1 1 68 68 ASN CB C 13 40.448 0.077 . 1 . . . . 68 ASN CB . 17242 1
705 . 1 1 68 68 ASN N N 15 119.223 0.106 . 1 . . . . 68 ASN N . 17242 1
706 . 1 1 69 69 PRO HA H 1 4.440 0.008 . 1 . . . . 69 PRO HA . 17242 1
707 . 1 1 69 69 PRO HB2 H 1 1.958 0.005 . 2 . . . . 69 PRO HB2 . 17242 1
708 . 1 1 69 69 PRO HB3 H 1 2.370 0.002 . 2 . . . . 69 PRO HB3 . 17242 1
709 . 1 1 69 69 PRO HD2 H 1 3.764 0.006 . 2 . . . . 69 PRO HD2 . 17242 1
710 . 1 1 69 69 PRO HD3 H 1 3.237 0.004 . 2 . . . . 69 PRO HD3 . 17242 1
711 . 1 1 69 69 PRO HG2 H 1 2.065 0.004 . 2 . . . . 69 PRO QG . 17242 1
712 . 1 1 69 69 PRO HG3 H 1 2.065 0.004 . 2 . . . . 69 PRO QG . 17242 1
713 . 1 1 69 69 PRO CA C 13 64.195 0.000 . 1 . . . . 69 PRO CA . 17242 1
714 . 1 1 69 69 PRO CB C 13 32.587 0.018 . 1 . . . . 69 PRO CB . 17242 1
715 . 1 1 69 69 PRO CD C 13 50.379 0.033 . 1 . . . . 69 PRO CD . 17242 1
716 . 1 1 69 69 PRO CG C 13 27.275 0.018 . 1 . . . . 69 PRO CG . 17242 1
717 . 1 1 70 70 GLU H H 1 9.240 0.003 . 1 . . . . 70 GLU H . 17242 1
718 . 1 1 70 70 GLU HA H 1 4.019 0.007 . 1 . . . . 70 GLU HA . 17242 1
719 . 1 1 70 70 GLU HB2 H 1 1.885 0.005 . 2 . . . . 70 GLU QB . 17242 1
720 . 1 1 70 70 GLU HB3 H 1 1.885 0.005 . 2 . . . . 70 GLU QB . 17242 1
721 . 1 1 70 70 GLU HG2 H 1 2.187 0.002 . 2 . . . . 70 GLU HG2 . 17242 1
722 . 1 1 70 70 GLU HG3 H 1 2.321 0.009 . 2 . . . . 70 GLU HG3 . 17242 1
723 . 1 1 70 70 GLU CA C 13 59.716 0.127 . 1 . . . . 70 GLU CA . 17242 1
724 . 1 1 70 70 GLU CB C 13 28.650 0.000 . 1 . . . . 70 GLU CB . 17242 1
725 . 1 1 70 70 GLU CG C 13 36.101 0.000 . 1 . . . . 70 GLU CG . 17242 1
726 . 1 1 70 70 GLU N N 15 121.728 0.023 . 1 . . . . 70 GLU N . 17242 1
727 . 1 1 71 71 THR H H 1 9.444 0.004 . 1 . . . . 71 THR H . 17242 1
728 . 1 1 71 71 THR HA H 1 3.774 0.009 . 1 . . . . 71 THR HA . 17242 1
729 . 1 1 71 71 THR HB H 1 3.717 0.004 . 1 . . . . 71 THR HB . 17242 1
730 . 1 1 71 71 THR HG21 H 1 0.432 0.006 . . . . . . 71 THR QG2 . 17242 1
731 . 1 1 71 71 THR HG22 H 1 0.432 0.006 . . . . . . 71 THR QG2 . 17242 1
732 . 1 1 71 71 THR HG23 H 1 0.432 0.006 . . . . . . 71 THR QG2 . 17242 1
733 . 1 1 71 71 THR CA C 13 67.925 0.040 . 1 . . . . 71 THR CA . 17242 1
734 . 1 1 71 71 THR CB C 13 67.953 0.030 . 1 . . . . 71 THR CB . 17242 1
735 . 1 1 71 71 THR CG2 C 13 20.512 0.024 . 1 . . . . 71 THR CG2 . 17242 1
736 . 1 1 71 71 THR N N 15 119.177 0.012 . 1 . . . . 71 THR N . 17242 1
737 . 1 1 72 72 ALA H H 1 6.925 0.004 . 1 . . . . 72 ALA H . 17242 1
738 . 1 1 72 72 ALA HA H 1 3.932 0.019 . 1 . . . . 72 ALA HA . 17242 1
739 . 1 1 72 72 ALA HB1 H 1 1.511 0.008 . . . . . . 72 ALA QB . 17242 1
740 . 1 1 72 72 ALA HB2 H 1 1.511 0.008 . . . . . . 72 ALA QB . 17242 1
741 . 1 1 72 72 ALA HB3 H 1 1.511 0.008 . . . . . . 72 ALA QB . 17242 1
742 . 1 1 72 72 ALA CA C 13 55.707 0.021 . 1 . . . . 72 ALA CA . 17242 1
743 . 1 1 72 72 ALA CB C 13 17.895 0.006 . 1 . . . . 72 ALA CB . 17242 1
744 . 1 1 72 72 ALA N N 15 120.366 0.015 . 1 . . . . 72 ALA N . 17242 1
745 . 1 1 73 73 ARG H H 1 7.849 0.010 . 1 . . . . 73 ARG H . 17242 1
746 . 1 1 73 73 ARG HA H 1 4.105 0.006 . 1 . . . . 73 ARG HA . 17242 1
747 . 1 1 73 73 ARG HB2 H 1 1.917 0.004 . 2 . . . . 73 ARG QB . 17242 1
748 . 1 1 73 73 ARG HB3 H 1 1.917 0.004 . 2 . . . . 73 ARG QB . 17242 1
749 . 1 1 73 73 ARG HD2 H 1 3.210 0.004 . 2 . . . . 73 ARG QD . 17242 1
750 . 1 1 73 73 ARG HD3 H 1 3.210 0.004 . 2 . . . . 73 ARG QD . 17242 1
751 . 1 1 73 73 ARG HG2 H 1 1.728 0.006 . 2 . . . . 73 ARG HG2 . 17242 1
752 . 1 1 73 73 ARG HG3 H 1 1.555 0.005 . 2 . . . . 73 ARG HG3 . 17242 1
753 . 1 1 73 73 ARG CA C 13 59.163 0.080 . 1 . . . . 73 ARG CA . 17242 1
754 . 1 1 73 73 ARG CB C 13 30.012 0.000 . 1 . . . . 73 ARG CB . 17242 1
755 . 1 1 73 73 ARG CD C 13 43.370 0.078 . 1 . . . . 73 ARG CD . 17242 1
756 . 1 1 73 73 ARG CG C 13 27.412 0.003 . 1 . . . . 73 ARG CG . 17242 1
757 . 1 1 73 73 ARG N N 15 117.280 0.016 . 1 . . . . 73 ARG N . 17242 1
758 . 1 1 74 74 ASN H H 1 8.618 0.004 . 1 . . . . 74 ASN H . 17242 1
759 . 1 1 74 74 ASN HA H 1 4.216 0.003 . 1 . . . . 74 ASN HA . 17242 1
760 . 1 1 74 74 ASN HB2 H 1 2.208 0.010 . 2 . . . . 74 ASN HB2 . 17242 1
761 . 1 1 74 74 ASN HB3 H 1 2.656 0.008 . 2 . . . . 74 ASN HB3 . 17242 1
762 . 1 1 74 74 ASN CA C 13 55.601 0.001 . 1 . . . . 74 ASN CA . 17242 1
763 . 1 1 74 74 ASN CB C 13 38.168 0.133 . 1 . . . . 74 ASN CB . 17242 1
764 . 1 1 74 74 ASN N N 15 120.076 0.045 . 1 . . . . 74 ASN N . 17242 1
765 . 1 1 75 75 PHE H H 1 7.218 0.003 . 1 . . . . 75 PHE H . 17242 1
766 . 1 1 75 75 PHE HA H 1 4.650 0.001 . 1 . . . . 75 PHE HA . 17242 1
767 . 1 1 75 75 PHE HB2 H 1 2.273 0.007 . 2 . . . . 75 PHE HB2 . 17242 1
768 . 1 1 75 75 PHE HB3 H 1 3.319 0.002 . 2 . . . . 75 PHE HB3 . 17242 1
769 . 1 1 75 75 PHE HD1 H 1 7.501 0.012 . 3 . . . . 75 PHE QD . 17242 1
770 . 1 1 75 75 PHE HD2 H 1 7.501 0.012 . 3 . . . . 75 PHE QD . 17242 1
771 . 1 1 75 75 PHE HE1 H 1 7.448 0.011 . 3 . . . . 75 PHE QE . 17242 1
772 . 1 1 75 75 PHE HE2 H 1 7.448 0.011 . 3 . . . . 75 PHE QE . 17242 1
773 . 1 1 75 75 PHE HZ H 1 7.628 0.007 . 1 . . . . 75 PHE HZ . 17242 1
774 . 1 1 75 75 PHE CA C 13 58.431 0.000 . 1 . . . . 75 PHE CA . 17242 1
775 . 1 1 75 75 PHE CB C 13 38.105 0.000 . 1 . . . . 75 PHE CB . 17242 1
776 . 1 1 75 75 PHE CD1 C 13 131.856 0.050 . 3 . . . . 75 PHE CD1 . 17242 1
777 . 1 1 75 75 PHE CE1 C 13 131.891 0.050 . 3 . . . . 75 PHE CE1 . 17242 1
778 . 1 1 75 75 PHE CZ C 13 129.886 0.022 . 1 . . . . 75 PHE CZ . 17242 1
779 . 1 1 75 75 PHE N N 15 113.044 0.031 . 1 . . . . 75 PHE N . 17242 1
780 . 1 1 76 76 GLN H H 1 7.819 0.002 . 1 . . . . 76 GLN H . 17242 1
781 . 1 1 76 76 GLN HA H 1 3.854 0.004 . 1 . . . . 76 GLN HA . 17242 1
782 . 1 1 76 76 GLN HB2 H 1 2.076 0.006 . 2 . . . . 76 GLN HB2 . 17242 1
783 . 1 1 76 76 GLN HB3 H 1 2.196 0.003 . 2 . . . . 76 GLN HB3 . 17242 1
784 . 1 1 76 76 GLN HG2 H 1 2.195 0.004 . 2 . . . . 76 GLN HG2 . 17242 1
785 . 1 1 76 76 GLN HG3 H 1 2.310 0.002 . 2 . . . . 76 GLN HG3 . 17242 1
786 . 1 1 76 76 GLN CA C 13 56.756 0.000 . 1 . . . . 76 GLN CA . 17242 1
787 . 1 1 76 76 GLN CB C 13 25.873 0.001 . 1 . . . . 76 GLN CB . 17242 1
788 . 1 1 76 76 GLN CG C 13 34.265 0.000 . 1 . . . . 76 GLN CG . 17242 1
789 . 1 1 76 76 GLN N N 15 116.553 0.066 . 1 . . . . 76 GLN N . 17242 1
790 . 1 1 77 77 VAL H H 1 8.390 0.012 . 1 . . . . 77 VAL H . 17242 1
791 . 1 1 77 77 VAL HA H 1 3.830 0.000 . 1 . . . . 77 VAL HA . 17242 1
792 . 1 1 77 77 VAL HB H 1 1.703 0.013 . 1 . . . . 77 VAL HB . 17242 1
793 . 1 1 77 77 VAL HG21 H 1 -0.046 0.009 . . . . . . 77 VAL QG2 . 17242 1
794 . 1 1 77 77 VAL HG22 H 1 -0.046 0.009 . . . . . . 77 VAL QG2 . 17242 1
795 . 1 1 77 77 VAL HG23 H 1 -0.046 0.009 . . . . . . 77 VAL QG2 . 17242 1
796 . 1 1 77 77 VAL N N 15 120.482 0.064 . 1 . . . . 77 VAL N . 17242 1
797 . 1 1 78 78 VAL H H 1 8.033 0.011 . 1 . . . . 78 VAL H . 17242 1
798 . 1 1 78 78 VAL HA H 1 4.391 0.009 . 1 . . . . 78 VAL HA . 17242 1
799 . 1 1 78 78 VAL HB H 1 2.228 0.004 . 1 . . . . 78 VAL HB . 17242 1
800 . 1 1 78 78 VAL HG11 H 1 0.815 0.011 . . . . . . 78 VAL QQG . 17242 1
801 . 1 1 78 78 VAL HG12 H 1 0.815 0.011 . . . . . . 78 VAL QQG . 17242 1
802 . 1 1 78 78 VAL HG13 H 1 0.815 0.011 . . . . . . 78 VAL QQG . 17242 1
803 . 1 1 78 78 VAL HG21 H 1 0.815 0.011 . . . . . . 78 VAL QQG . 17242 1
804 . 1 1 78 78 VAL HG22 H 1 0.815 0.011 . . . . . . 78 VAL QQG . 17242 1
805 . 1 1 78 78 VAL HG23 H 1 0.815 0.011 . . . . . . 78 VAL QQG . 17242 1
806 . 1 1 78 78 VAL CA C 13 61.669 0.174 . 1 . . . . 78 VAL CA . 17242 1
807 . 1 1 78 78 VAL CB C 13 33.349 0.036 . 1 . . . . 78 VAL CB . 17242 1
808 . 1 1 78 78 VAL CG1 C 13 18.675 0.066 . 2 . . . . 78 VAL CG1 . 17242 1
809 . 1 1 78 78 VAL N N 15 121.955 0.042 . 1 . . . . 78 VAL N . 17242 1
810 . 1 1 79 79 SER H H 1 7.879 0.008 . 1 . . . . 79 SER H . 17242 1
811 . 1 1 79 79 SER HA H 1 4.706 0.009 . 1 . . . . 79 SER HA . 17242 1
812 . 1 1 79 79 SER HB2 H 1 3.698 0.006 . 2 . . . . 79 SER QB . 17242 1
813 . 1 1 79 79 SER HB3 H 1 3.698 0.006 . 2 . . . . 79 SER QB . 17242 1
814 . 1 1 79 79 SER CA C 13 56.994 0.126 . 1 . . . . 79 SER CA . 17242 1
815 . 1 1 79 79 SER CB C 13 64.785 0.013 . 1 . . . . 79 SER CB . 17242 1
816 . 1 1 79 79 SER N N 15 117.284 0.044 . 1 . . . . 79 SER N . 17242 1
817 . 1 1 80 80 ILE H H 1 8.468 0.006 . 1 . . . . 80 ILE H . 17242 1
818 . 1 1 80 80 ILE HA H 1 4.702 0.003 . 1 . . . . 80 ILE HA . 17242 1
819 . 1 1 80 80 ILE HB H 1 1.883 0.003 . 1 . . . . 80 ILE HB . 17242 1
820 . 1 1 80 80 ILE HD11 H 1 0.451 0.008 . . . . . . 80 ILE QD1 . 17242 1
821 . 1 1 80 80 ILE HD12 H 1 0.451 0.008 . . . . . . 80 ILE QD1 . 17242 1
822 . 1 1 80 80 ILE HD13 H 1 0.451 0.008 . . . . . . 80 ILE QD1 . 17242 1
823 . 1 1 80 80 ILE HG21 H 1 0.796 0.007 . . . . . . 80 ILE QG2 . 17242 1
824 . 1 1 80 80 ILE HG22 H 1 0.796 0.007 . . . . . . 80 ILE QG2 . 17242 1
825 . 1 1 80 80 ILE HG23 H 1 0.796 0.007 . . . . . . 80 ILE QG2 . 17242 1
826 . 1 1 80 80 ILE CA C 13 56.994 0.129 . 1 . . . . 80 ILE CA . 17242 1
827 . 1 1 80 80 ILE CB C 13 40.133 0.049 . 1 . . . . 80 ILE CB . 17242 1
828 . 1 1 80 80 ILE CD1 C 13 14.042 0.000 . 1 . . . . 80 ILE CD1 . 17242 1
829 . 1 1 80 80 ILE CG2 C 13 18.610 0.000 . 1 . . . . 80 ILE CG2 . 17242 1
830 . 1 1 80 80 ILE N N 15 120.767 0.036 . 1 . . . . 80 ILE N . 17242 1
831 . 1 1 81 81 PRO HA H 1 5.113 0.007 . . . . . . 81 PRO HA . 17242 1
832 . 1 1 81 81 PRO HB2 H 1 1.989 0.011 . . . . . . 81 PRO HB2 . 17242 1
833 . 1 1 81 81 PRO HB3 H 1 2.791 0.003 . . . . . . 81 PRO HB3 . 17242 1
834 . 1 1 81 81 PRO HD2 H 1 3.615 0.013 . . . . . . 81 PRO QD . 17242 1
835 . 1 1 81 81 PRO HD3 H 1 3.615 0.013 . . . . . . 81 PRO QD . 17242 1
836 . 1 1 81 81 PRO HG2 H 1 1.513 0.014 . . . . . . 81 PRO HG2 . 17242 1
837 . 1 1 81 81 PRO HG3 H 1 1.783 0.010 . . . . . . 81 PRO HG3 . 17242 1
838 . 1 1 81 81 PRO CA C 13 63.334 0.003 . . . . . . 81 PRO CA . 17242 1
839 . 1 1 81 81 PRO CB C 13 35.033 0.041 . . . . . . 81 PRO CB . 17242 1
840 . 1 1 81 81 PRO CG C 13 24.909 0.065 . . . . . . 81 PRO CG . 17242 1
841 . 1 1 82 82 THR HA H 1 5.022 0.010 . 1 . . . . 82 THR HA . 17242 1
842 . 1 1 82 82 THR HB H 1 3.918 0.005 . 1 . . . . 82 THR HB . 17242 1
843 . 1 1 82 82 THR HG21 H 1 1.087 0.012 . . . . . . 82 THR QG2 . 17242 1
844 . 1 1 82 82 THR HG22 H 1 1.087 0.012 . . . . . . 82 THR QG2 . 17242 1
845 . 1 1 82 82 THR HG23 H 1 1.087 0.012 . . . . . . 82 THR QG2 . 17242 1
846 . 1 1 82 82 THR CA C 13 63.911 0.017 . 1 . . . . 82 THR CA . 17242 1
847 . 1 1 82 82 THR CB C 13 73.148 0.075 . 1 . . . . 82 THR CB . 17242 1
848 . 1 1 82 82 THR CG2 C 13 21.417 0.107 . 1 . . . . 82 THR CG2 . 17242 1
849 . 1 1 83 83 LEU H H 1 9.680 0.005 . 1 . . . . 83 LEU H . 17242 1
850 . 1 1 83 83 LEU HA H 1 6.089 0.002 . 1 . . . . 83 LEU HA . 17242 1
851 . 1 1 83 83 LEU HB2 H 1 1.351 0.007 . 2 . . . . 83 LEU HB2 . 17242 1
852 . 1 1 83 83 LEU HB3 H 1 1.823 0.006 . 2 . . . . 83 LEU HB3 . 17242 1
853 . 1 1 83 83 LEU HG H 1 0.881 0.004 . 1 . . . . 83 LEU HG . 17242 1
854 . 1 1 83 83 LEU CA C 13 53.091 0.000 . 1 . . . . 83 LEU CA . 17242 1
855 . 1 1 83 83 LEU CB C 13 42.011 0.000 . 1 . . . . 83 LEU CB . 17242 1
856 . 1 1 83 83 LEU CG C 13 26.431 0.024 . 1 . . . . 83 LEU CG . 17242 1
857 . 1 1 83 83 LEU N N 15 127.551 0.082 . 1 . . . . 83 LEU N . 17242 1
858 . 1 1 84 84 ILE H H 1 9.136 0.005 . 1 . . . . 84 ILE H . 17242 1
859 . 1 1 84 84 ILE HA H 1 5.039 0.008 . 1 . . . . 84 ILE HA . 17242 1
860 . 1 1 84 84 ILE HB H 1 1.760 0.022 . 1 . . . . 84 ILE HB . 17242 1
861 . 1 1 84 84 ILE HD11 H 1 0.148 0.005 . . . . . . 84 ILE QD1 . 17242 1
862 . 1 1 84 84 ILE HD12 H 1 0.148 0.005 . . . . . . 84 ILE QD1 . 17242 1
863 . 1 1 84 84 ILE HD13 H 1 0.148 0.005 . . . . . . 84 ILE QD1 . 17242 1
864 . 1 1 84 84 ILE HG12 H 1 0.800 0.013 . . . . . . 84 ILE QG1 . 17242 1
865 . 1 1 84 84 ILE HG13 H 1 0.800 0.013 . . . . . . 84 ILE QG1 . 17242 1
866 . 1 1 84 84 ILE HG21 H 1 0.637 0.012 . . . . . . 84 ILE QG2 . 17242 1
867 . 1 1 84 84 ILE HG22 H 1 0.637 0.012 . . . . . . 84 ILE QG2 . 17242 1
868 . 1 1 84 84 ILE HG23 H 1 0.637 0.012 . . . . . . 84 ILE QG2 . 17242 1
869 . 1 1 84 84 ILE CA C 13 60.201 0.010 . 1 . . . . 84 ILE CA . 17242 1
870 . 1 1 84 84 ILE CB C 13 41.735 0.000 . 1 . . . . 84 ILE CB . 17242 1
871 . 1 1 84 84 ILE CD1 C 13 17.709 0.041 . 1 . . . . 84 ILE CD1 . 17242 1
872 . 1 1 84 84 ILE CG1 C 13 28.237 0.000 . 1 . . . . 84 ILE CG1 . 17242 1
873 . 1 1 84 84 ILE CG2 C 13 13.350 0.056 . 1 . . . . 84 ILE CG2 . 17242 1
874 . 1 1 84 84 ILE N N 15 120.368 0.048 . 1 . . . . 84 ILE N . 17242 1
875 . 1 1 85 85 LEU H H 1 8.719 0.008 . 1 . . . . 85 LEU H . 17242 1
876 . 1 1 85 85 LEU HA H 1 5.183 0.008 . 1 . . . . 85 LEU HA . 17242 1
877 . 1 1 85 85 LEU HB2 H 1 1.871 0.011 . 2 . . . . 85 LEU HB2 . 17242 1
878 . 1 1 85 85 LEU HB3 H 1 1.052 0.004 . 2 . . . . 85 LEU HB3 . 17242 1
879 . 1 1 85 85 LEU HD11 H 1 0.786 0.011 . . . . . . 85 LEU QD1 . 17242 1
880 . 1 1 85 85 LEU HD12 H 1 0.786 0.011 . . . . . . 85 LEU QD1 . 17242 1
881 . 1 1 85 85 LEU HD13 H 1 0.786 0.011 . . . . . . 85 LEU QD1 . 17242 1
882 . 1 1 85 85 LEU HG H 1 1.423 0.007 . 1 . . . . 85 LEU HG . 17242 1
883 . 1 1 85 85 LEU CA C 13 52.736 0.001 . 1 . . . . 85 LEU CA . 17242 1
884 . 1 1 85 85 LEU CB C 13 44.058 0.000 . 1 . . . . 85 LEU CB . 17242 1
885 . 1 1 85 85 LEU CD1 C 13 23.718 0.064 . 2 . . . . 85 LEU CD1 . 17242 1
886 . 1 1 85 85 LEU CG C 13 27.658 0.000 . 1 . . . . 85 LEU CG . 17242 1
887 . 1 1 85 85 LEU N N 15 129.362 0.051 . 1 . . . . 85 LEU N . 17242 1
888 . 1 1 86 86 PHE H H 1 9.859 0.006 . 1 . . . . 86 PHE H . 17242 1
889 . 1 1 86 86 PHE HA H 1 5.187 0.004 . 1 . . . . 86 PHE HA . 17242 1
890 . 1 1 86 86 PHE HB2 H 1 2.792 0.013 . 2 . . . . 86 PHE HB2 . 17242 1
891 . 1 1 86 86 PHE HB3 H 1 2.734 0.011 . 2 . . . . 86 PHE HB3 . 17242 1
892 . 1 1 86 86 PHE HD1 H 1 6.825 0.008 . 3 . . . . 86 PHE QD . 17242 1
893 . 1 1 86 86 PHE HD2 H 1 6.825 0.008 . 3 . . . . 86 PHE QD . 17242 1
894 . 1 1 86 86 PHE HE1 H 1 6.945 0.014 . 3 . . . . 86 PHE QE . 17242 1
895 . 1 1 86 86 PHE HE2 H 1 6.945 0.014 . 3 . . . . 86 PHE QE . 17242 1
896 . 1 1 86 86 PHE HZ H 1 5.790 0.005 . 1 . . . . 86 PHE HZ . 17242 1
897 . 1 1 86 86 PHE CA C 13 57.087 0.042 . 1 . . . . 86 PHE CA . 17242 1
898 . 1 1 86 86 PHE CB C 13 41.684 0.063 . 1 . . . . 86 PHE CB . 17242 1
899 . 1 1 86 86 PHE CD1 C 13 132.073 0.098 . 3 . . . . 86 PHE CD1 . 17242 1
900 . 1 1 86 86 PHE CE1 C 13 130.815 0.155 . 3 . . . . 86 PHE CE1 . 17242 1
901 . 1 1 86 86 PHE CZ C 13 128.598 0.110 . 1 . . . . 86 PHE CZ . 17242 1
902 . 1 1 86 86 PHE N N 15 128.109 0.081 . 1 . . . . 86 PHE N . 17242 1
903 . 1 1 87 87 LYS H H 1 8.736 0.003 . 1 . . . . 87 LYS H . 17242 1
904 . 1 1 87 87 LYS HA H 1 4.618 0.006 . 1 . . . . 87 LYS HA . 17242 1
905 . 1 1 87 87 LYS HB2 H 1 1.460 0.006 . 2 . . . . 87 LYS HB2 . 17242 1
906 . 1 1 87 87 LYS HB3 H 1 1.784 0.010 . 2 . . . . 87 LYS HB3 . 17242 1
907 . 1 1 87 87 LYS HD2 H 1 1.675 0.006 . 2 . . . . 87 LYS QD . 17242 1
908 . 1 1 87 87 LYS HD3 H 1 1.675 0.006 . 2 . . . . 87 LYS QD . 17242 1
909 . 1 1 87 87 LYS HE2 H 1 3.049 0.005 . 2 . . . . 87 LYS QE . 17242 1
910 . 1 1 87 87 LYS HE3 H 1 3.049 0.005 . 2 . . . . 87 LYS QE . 17242 1
911 . 1 1 87 87 LYS HG2 H 1 1.377 0.005 . 2 . . . . 87 LYS QG . 17242 1
912 . 1 1 87 87 LYS HG3 H 1 1.377 0.005 . 2 . . . . 87 LYS QG . 17242 1
913 . 1 1 87 87 LYS CA C 13 56.019 0.000 . 1 . . . . 87 LYS CA . 17242 1
914 . 1 1 87 87 LYS CB C 13 36.456 0.000 . 1 . . . . 87 LYS CB . 17242 1
915 . 1 1 87 87 LYS CD C 13 29.668 0.000 . 1 . . . . 87 LYS CD . 17242 1
916 . 1 1 87 87 LYS CE C 13 42.172 0.080 . 1 . . . . 87 LYS CE . 17242 1
917 . 1 1 87 87 LYS CG C 13 25.193 0.107 . 1 . . . . 87 LYS CG . 17242 1
918 . 1 1 87 87 LYS N N 15 119.947 0.075 . 1 . . . . 87 LYS N . 17242 1
919 . 1 1 88 88 ASP H H 1 9.444 0.007 . 1 . . . . 88 ASP H . 17242 1
920 . 1 1 88 88 ASP HA H 1 4.534 0.001 . 1 . . . . 88 ASP HA . 17242 1
921 . 1 1 88 88 ASP HB2 H 1 2.750 0.003 . 2 . . . . 88 ASP HB2 . 17242 1
922 . 1 1 88 88 ASP HB3 H 1 2.981 0.003 . 2 . . . . 88 ASP HB3 . 17242 1
923 . 1 1 88 88 ASP CA C 13 55.688 0.143 . 1 . . . . 88 ASP CA . 17242 1
924 . 1 1 88 88 ASP CB C 13 39.709 0.024 . 1 . . . . 88 ASP CB . 17242 1
925 . 1 1 88 88 ASP N N 15 127.788 0.081 . 1 . . . . 88 ASP N . 17242 1
926 . 1 1 89 89 GLY H H 1 9.156 0.004 . 1 . . . . 89 GLY H . 17242 1
927 . 1 1 89 89 GLY HA2 H 1 4.367 0.008 . 2 . . . . 89 GLY HA2 . 17242 1
928 . 1 1 89 89 GLY HA3 H 1 3.855 0.005 . 2 . . . . 89 GLY HA3 . 17242 1
929 . 1 1 89 89 GLY CA C 13 46.187 0.029 . 1 . . . . 89 GLY CA . 17242 1
930 . 1 1 89 89 GLY N N 15 103.729 0.023 . 1 . . . . 89 GLY N . 17242 1
931 . 1 1 90 90 GLN H H 1 7.861 0.002 . 1 . . . . 90 GLN H . 17242 1
932 . 1 1 90 90 GLN HA H 1 5.197 0.006 . 1 . . . . 90 GLN HA . 17242 1
933 . 1 1 90 90 GLN HB2 H 1 1.929 0.008 . 2 . . . . 90 GLN HB2 . 17242 1
934 . 1 1 90 90 GLN HB3 H 1 2.157 0.008 . 2 . . . . 90 GLN HB3 . 17242 1
935 . 1 1 90 90 GLN HG2 H 1 2.435 0.008 . 2 . . . . 90 GLN QG . 17242 1
936 . 1 1 90 90 GLN HG3 H 1 2.435 0.008 . 2 . . . . 90 GLN QG . 17242 1
937 . 1 1 90 90 GLN CA C 13 52.038 0.050 . 1 . . . . 90 GLN CA . 17242 1
938 . 1 1 90 90 GLN CB C 13 30.836 0.064 . 1 . . . . 90 GLN CB . 17242 1
939 . 1 1 90 90 GLN CG C 13 32.783 0.018 . 1 . . . . 90 GLN CG . 17242 1
940 . 1 1 90 90 GLN N N 15 117.288 0.013 . 1 . . . . 90 GLN N . 17242 1
941 . 1 1 91 91 PRO HA H 1 3.878 0.012 . 1 . . . . 91 PRO HA . 17242 1
942 . 1 1 91 91 PRO HB2 H 1 1.259 0.006 . 2 . . . . 91 PRO HB2 . 17242 1
943 . 1 1 91 91 PRO HB3 H 1 1.697 0.012 . 2 . . . . 91 PRO HB3 . 17242 1
944 . 1 1 91 91 PRO HD2 H 1 3.983 0.008 . 2 . . . . 91 PRO QD . 17242 1
945 . 1 1 91 91 PRO HD3 H 1 3.983 0.008 . 2 . . . . 91 PRO QD . 17242 1
946 . 1 1 91 91 PRO HG2 H 1 2.450 0.007 . 2 . . . . 91 PRO HG2 . 17242 1
947 . 1 1 91 91 PRO HG3 H 1 2.148 0.008 . 2 . . . . 91 PRO HG3 . 17242 1
948 . 1 1 91 91 PRO CA C 13 61.840 0.055 . 1 . . . . 91 PRO CA . 17242 1
949 . 1 1 91 91 PRO CB C 13 30.886 0.040 . 1 . . . . 91 PRO CB . 17242 1
950 . 1 1 91 91 PRO CD C 13 50.447 0.017 . 1 . . . . 91 PRO CD . 17242 1
951 . 1 1 91 91 PRO CG C 13 27.680 0.042 . 1 . . . . 91 PRO CG . 17242 1
952 . 1 1 92 92 VAL H H 1 8.982 0.004 . 1 . . . . 92 VAL H . 17242 1
953 . 1 1 92 92 VAL HA H 1 4.394 0.004 . 1 . . . . 92 VAL HA . 17242 1
954 . 1 1 92 92 VAL HB H 1 2.224 0.004 . 1 . . . . 92 VAL HB . 17242 1
955 . 1 1 92 92 VAL HG11 H 1 0.991 0.005 . . . . . . 92 VAL QG1 . 17242 1
956 . 1 1 92 92 VAL HG12 H 1 0.991 0.005 . . . . . . 92 VAL QG1 . 17242 1
957 . 1 1 92 92 VAL HG13 H 1 0.991 0.005 . . . . . . 92 VAL QG1 . 17242 1
958 . 1 1 92 92 VAL HG21 H 1 0.836 0.010 . . . . . . 92 VAL QG2 . 17242 1
959 . 1 1 92 92 VAL HG22 H 1 0.836 0.010 . . . . . . 92 VAL QG2 . 17242 1
960 . 1 1 92 92 VAL HG23 H 1 0.836 0.010 . . . . . . 92 VAL QG2 . 17242 1
961 . 1 1 92 92 VAL CA C 13 62.061 0.103 . 1 . . . . 92 VAL CA . 17242 1
962 . 1 1 92 92 VAL CB C 13 33.332 0.036 . 1 . . . . 92 VAL CB . 17242 1
963 . 1 1 92 92 VAL CG1 C 13 21.979 0.000 . 2 . . . . 92 VAL CG1 . 17242 1
964 . 1 1 92 92 VAL CG2 C 13 20.481 0.035 . 2 . . . . 92 VAL CG2 . 17242 1
965 . 1 1 92 92 VAL N N 15 119.911 0.054 . 1 . . . . 92 VAL N . 17242 1
966 . 1 1 93 93 LYS H H 1 7.194 0.002 . 1 . . . . 93 LYS H . 17242 1
967 . 1 1 93 93 LYS HA H 1 4.538 0.006 . 1 . . . . 93 LYS HA . 17242 1
968 . 1 1 93 93 LYS HB2 H 1 1.558 0.004 . 2 . . . . 93 LYS HB2 . 17242 1
969 . 1 1 93 93 LYS HB3 H 1 1.810 0.007 . 2 . . . . 93 LYS HB3 . 17242 1
970 . 1 1 93 93 LYS HE2 H 1 3.065 0.012 . 2 . . . . 93 LYS QE . 17242 1
971 . 1 1 93 93 LYS HE3 H 1 3.065 0.012 . 2 . . . . 93 LYS QE . 17242 1
972 . 1 1 93 93 LYS HG2 H 1 1.356 0.011 . 2 . . . . 93 LYS QG . 17242 1
973 . 1 1 93 93 LYS HG3 H 1 1.356 0.011 . 2 . . . . 93 LYS QG . 17242 1
974 . 1 1 93 93 LYS CA C 13 55.782 0.141 . 1 . . . . 93 LYS CA . 17242 1
975 . 1 1 93 93 LYS CB C 13 36.090 0.098 . 1 . . . . 93 LYS CB . 17242 1
976 . 1 1 93 93 LYS CE C 13 42.059 0.113 . 1 . . . . 93 LYS CE . 17242 1
977 . 1 1 93 93 LYS CG C 13 25.019 0.000 . 1 . . . . 93 LYS CG . 17242 1
978 . 1 1 93 93 LYS N N 15 118.773 0.011 . 1 . . . . 93 LYS N . 17242 1
979 . 1 1 94 94 ARG H H 1 8.828 0.006 . 1 . . . . 94 ARG H . 17242 1
980 . 1 1 94 94 ARG HA H 1 5.076 0.005 . 1 . . . . 94 ARG HA . 17242 1
981 . 1 1 94 94 ARG HB2 H 1 1.653 0.006 . 2 . . . . 94 ARG HB2 . 17242 1
982 . 1 1 94 94 ARG HB3 H 1 1.690 0.005 . 2 . . . . 94 ARG HB3 . 17242 1
983 . 1 1 94 94 ARG HD2 H 1 3.200 0.005 . 2 . . . . 94 ARG QD . 17242 1
984 . 1 1 94 94 ARG HD3 H 1 3.200 0.005 . 2 . . . . 94 ARG QD . 17242 1
985 . 1 1 94 94 ARG HG2 H 1 1.303 0.009 . 2 . . . . 94 ARG HG2 . 17242 1
986 . 1 1 94 94 ARG HG3 H 1 1.379 0.014 . 2 . . . . 94 ARG HG3 . 17242 1
987 . 1 1 94 94 ARG CA C 13 54.972 0.009 . 1 . . . . 94 ARG CA . 17242 1
988 . 1 1 94 94 ARG CB C 13 33.173 0.002 . 1 . . . . 94 ARG CB . 17242 1
989 . 1 1 94 94 ARG CD C 13 43.369 0.067 . 1 . . . . 94 ARG CD . 17242 1
990 . 1 1 94 94 ARG CG C 13 28.070 0.002 . 1 . . . . 94 ARG CG . 17242 1
991 . 1 1 94 94 ARG N N 15 126.303 0.048 . 1 . . . . 94 ARG N . 17242 1
992 . 1 1 95 95 ILE H H 1 9.593 0.001 . 1 . . . . 95 ILE H . 17242 1
993 . 1 1 95 95 ILE HA H 1 4.347 0.008 . 1 . . . . 95 ILE HA . 17242 1
994 . 1 1 95 95 ILE HB H 1 1.826 0.005 . 1 . . . . 95 ILE HB . 17242 1
995 . 1 1 95 95 ILE HD11 H 1 0.681 0.012 . . . . . . 95 ILE QD1 . 17242 1
996 . 1 1 95 95 ILE HD12 H 1 0.681 0.012 . . . . . . 95 ILE QD1 . 17242 1
997 . 1 1 95 95 ILE HD13 H 1 0.681 0.012 . . . . . . 95 ILE QD1 . 17242 1
998 . 1 1 95 95 ILE HG12 H 1 1.053 0.009 . . . . . . 95 ILE QG1 . 17242 1
999 . 1 1 95 95 ILE HG13 H 1 1.053 0.009 . . . . . . 95 ILE QG1 . 17242 1
1000 . 1 1 95 95 ILE HG21 H 1 0.839 0.010 . . . . . . 95 ILE QG2 . 17242 1
1001 . 1 1 95 95 ILE HG22 H 1 0.839 0.010 . . . . . . 95 ILE QG2 . 17242 1
1002 . 1 1 95 95 ILE HG23 H 1 0.839 0.010 . . . . . . 95 ILE QG2 . 17242 1
1003 . 1 1 95 95 ILE CA C 13 60.780 0.007 . 1 . . . . 95 ILE CA . 17242 1
1004 . 1 1 95 95 ILE CB C 13 40.922 0.000 . 1 . . . . 95 ILE CB . 17242 1
1005 . 1 1 95 95 ILE CD1 C 13 14.432 0.133 . 1 . . . . 95 ILE CD1 . 17242 1
1006 . 1 1 95 95 ILE CG1 C 13 27.475 0.000 . 1 . . . . 95 ILE CG1 . 17242 1
1007 . 1 1 95 95 ILE CG2 C 13 17.847 0.000 . 1 . . . . 95 ILE CG2 . 17242 1
1008 . 1 1 95 95 ILE N N 15 127.824 0.028 . 1 . . . . 95 ILE N . 17242 1
1009 . 1 1 96 96 VAL H H 1 8.898 0.002 . 1 . . . . 96 VAL H . 17242 1
1010 . 1 1 96 96 VAL HA H 1 4.533 0.004 . 1 . . . . 96 VAL HA . 17242 1
1011 . 1 1 96 96 VAL HB H 1 2.013 0.005 . 1 . . . . 96 VAL HB . 17242 1
1012 . 1 1 96 96 VAL HG11 H 1 0.949 0.014 . . . . . . 96 VAL QG1 . 17242 1
1013 . 1 1 96 96 VAL HG12 H 1 0.949 0.014 . . . . . . 96 VAL QG1 . 17242 1
1014 . 1 1 96 96 VAL HG13 H 1 0.949 0.014 . . . . . . 96 VAL QG1 . 17242 1
1015 . 1 1 96 96 VAL HG21 H 1 0.932 0.007 . . . . . . 96 VAL QG2 . 17242 1
1016 . 1 1 96 96 VAL HG22 H 1 0.932 0.007 . . . . . . 96 VAL QG2 . 17242 1
1017 . 1 1 96 96 VAL HG23 H 1 0.932 0.007 . . . . . . 96 VAL QG2 . 17242 1
1018 . 1 1 96 96 VAL CA C 13 62.070 0.068 . 1 . . . . 96 VAL CA . 17242 1
1019 . 1 1 96 96 VAL CB C 13 33.415 0.003 . 1 . . . . 96 VAL CB . 17242 1
1020 . 1 1 96 96 VAL CG1 C 13 20.586 0.000 . 2 . . . . 96 VAL CG1 . 17242 1
1021 . 1 1 96 96 VAL CG2 C 13 21.321 0.000 . 2 . . . . 96 VAL CG2 . 17242 1
1022 . 1 1 96 96 VAL N N 15 127.788 0.013 . 1 . . . . 96 VAL N . 17242 1
1023 . 1 1 97 97 GLY H H 1 8.013 0.003 . 1 . . . . 97 GLY H . 17242 1
1024 . 1 1 97 97 GLY HA2 H 1 3.589 0.004 . 2 . . . . 97 GLY HA2 . 17242 1
1025 . 1 1 97 97 GLY HA3 H 1 4.394 0.013 . 2 . . . . 97 GLY HA3 . 17242 1
1026 . 1 1 97 97 GLY CA C 13 43.717 0.038 . 1 . . . . 97 GLY CA . 17242 1
1027 . 1 1 97 97 GLY N N 15 113.977 0.022 . 1 . . . . 97 GLY N . 17242 1
1028 . 1 1 98 98 ALA H H 1 8.359 0.003 . 1 . . . . 98 ALA H . 17242 1
1029 . 1 1 98 98 ALA HA H 1 4.065 0.006 . 1 . . . . 98 ALA HA . 17242 1
1030 . 1 1 98 98 ALA HB1 H 1 1.299 0.010 . . . . . . 98 ALA QB . 17242 1
1031 . 1 1 98 98 ALA HB2 H 1 1.299 0.010 . . . . . . 98 ALA QB . 17242 1
1032 . 1 1 98 98 ALA HB3 H 1 1.299 0.010 . . . . . . 98 ALA QB . 17242 1
1033 . 1 1 98 98 ALA CA C 13 52.512 0.023 . 1 . . . . 98 ALA CA . 17242 1
1034 . 1 1 98 98 ALA CB C 13 19.273 0.004 . 1 . . . . 98 ALA CB . 17242 1
1035 . 1 1 98 98 ALA N N 15 120.317 0.032 . 1 . . . . 98 ALA N . 17242 1
1036 . 1 1 99 99 LYS H H 1 7.285 0.003 . 1 . . . . 99 LYS H . 17242 1
1037 . 1 1 99 99 LYS HA H 1 4.546 0.008 . 1 . . . . 99 LYS HA . 17242 1
1038 . 1 1 99 99 LYS HB2 H 1 1.516 0.006 . 2 . . . . 99 LYS HB2 . 17242 1
1039 . 1 1 99 99 LYS HB3 H 1 1.823 0.007 . 2 . . . . 99 LYS HB3 . 17242 1
1040 . 1 1 99 99 LYS HD2 H 1 1.431 0.001 . 2 . . . . 99 LYS HD2 . 17242 1
1041 . 1 1 99 99 LYS HD3 H 1 1.590 0.002 . 2 . . . . 99 LYS HD3 . 17242 1
1042 . 1 1 99 99 LYS HE2 H 1 2.788 0.003 . 2 . . . . 99 LYS HE2 . 17242 1
1043 . 1 1 99 99 LYS HE3 H 1 2.867 0.001 . 2 . . . . 99 LYS HE3 . 17242 1
1044 . 1 1 99 99 LYS HG2 H 1 1.261 0.002 . 2 . . . . 99 LYS HG2 . 17242 1
1045 . 1 1 99 99 LYS HG3 H 1 1.358 0.000 . 2 . . . . 99 LYS HG3 . 17242 1
1046 . 1 1 99 99 LYS CA C 13 54.282 0.035 . 1 . . . . 99 LYS CA . 17242 1
1047 . 1 1 99 99 LYS CB C 13 36.401 0.014 . 1 . . . . 99 LYS CB . 17242 1
1048 . 1 1 99 99 LYS CD C 13 28.825 0.049 . 1 . . . . 99 LYS CD . 17242 1
1049 . 1 1 99 99 LYS CE C 13 42.328 0.000 . 1 . . . . 99 LYS CE . 17242 1
1050 . 1 1 99 99 LYS CG C 13 24.548 0.000 . 1 . . . . 99 LYS CG . 17242 1
1051 . 1 1 99 99 LYS N N 15 120.852 0.017 . 1 . . . . 99 LYS N . 17242 1
1052 . 1 1 100 100 GLY H H 1 8.231 0.003 . 1 . . . . 100 GLY H . 17242 1
1053 . 1 1 100 100 GLY HA2 H 1 3.863 0.004 . 2 . . . . 100 GLY HA2 . 17242 1
1054 . 1 1 100 100 GLY HA3 H 1 4.171 0.010 . 2 . . . . 100 GLY HA3 . 17242 1
1055 . 1 1 100 100 GLY CA C 13 43.980 0.027 . 1 . . . . 100 GLY CA . 17242 1
1056 . 1 1 100 100 GLY N N 15 105.881 0.021 . 1 . . . . 100 GLY N . 17242 1
1057 . 1 1 101 101 LYS H H 1 8.658 0.003 . 1 . . . . 101 LYS H . 17242 1
1058 . 1 1 101 101 LYS HA H 1 3.549 0.010 . 1 . . . . 101 LYS HA . 17242 1
1059 . 1 1 101 101 LYS HB2 H 1 1.820 0.007 . 2 . . . . 101 LYS HB2 . 17242 1
1060 . 1 1 101 101 LYS HB3 H 1 1.906 0.005 . 2 . . . . 101 LYS HB3 . 17242 1
1061 . 1 1 101 101 LYS HD2 H 1 1.678 0.005 . 2 . . . . 101 LYS HD2 . 17242 1
1062 . 1 1 101 101 LYS HD3 H 1 1.761 0.007 . 2 . . . . 101 LYS HD3 . 17242 1
1063 . 1 1 101 101 LYS HE2 H 1 2.685 0.005 . 2 . . . . 101 LYS HE2 . 17242 1
1064 . 1 1 101 101 LYS HE3 H 1 2.893 0.008 . 2 . . . . 101 LYS HE3 . 17242 1
1065 . 1 1 101 101 LYS HG2 H 1 1.343 0.012 . 2 . . . . 101 LYS HG2 . 17242 1
1066 . 1 1 101 101 LYS HG3 H 1 1.148 0.009 . 2 . . . . 101 LYS HG3 . 17242 1
1067 . 1 1 101 101 LYS CA C 13 61.261 0.060 . 1 . . . . 101 LYS CA . 17242 1
1068 . 1 1 101 101 LYS CB C 13 33.361 0.079 . 1 . . . . 101 LYS CB . 17242 1
1069 . 1 1 101 101 LYS CD C 13 30.102 0.035 . 1 . . . . 101 LYS CD . 17242 1
1070 . 1 1 101 101 LYS CE C 13 41.807 0.039 . 1 . . . . 101 LYS CE . 17242 1
1071 . 1 1 101 101 LYS CG C 13 25.219 0.119 . 1 . . . . 101 LYS CG . 17242 1
1072 . 1 1 101 101 LYS N N 15 119.193 0.069 . 1 . . . . 101 LYS N . 17242 1
1073 . 1 1 102 102 ALA H H 1 8.484 0.002 . 1 . . . . 102 ALA H . 17242 1
1074 . 1 1 102 102 ALA HA H 1 4.012 0.005 . 1 . . . . 102 ALA HA . 17242 1
1075 . 1 1 102 102 ALA HB1 H 1 1.411 0.010 . . . . . . 102 ALA QB . 17242 1
1076 . 1 1 102 102 ALA HB2 H 1 1.411 0.010 . . . . . . 102 ALA QB . 17242 1
1077 . 1 1 102 102 ALA HB3 H 1 1.411 0.010 . . . . . . 102 ALA QB . 17242 1
1078 . 1 1 102 102 ALA CA C 13 55.381 0.010 . 1 . . . . 102 ALA CA . 17242 1
1079 . 1 1 102 102 ALA CB C 13 17.648 0.037 . 1 . . . . 102 ALA CB . 17242 1
1080 . 1 1 102 102 ALA N N 15 118.726 0.045 . 1 . . . . 102 ALA N . 17242 1
1081 . 1 1 103 103 ALA H H 1 8.022 0.007 . 1 . . . . 103 ALA H . 17242 1
1082 . 1 1 103 103 ALA HA H 1 4.050 0.012 . 1 . . . . 103 ALA HA . 17242 1
1083 . 1 1 103 103 ALA HB1 H 1 1.442 0.006 . . . . . . 103 ALA QB . 17242 1
1084 . 1 1 103 103 ALA HB2 H 1 1.442 0.006 . . . . . . 103 ALA QB . 17242 1
1085 . 1 1 103 103 ALA HB3 H 1 1.442 0.006 . . . . . . 103 ALA QB . 17242 1
1086 . 1 1 103 103 ALA CA C 13 54.750 0.047 . 1 . . . . 103 ALA CA . 17242 1
1087 . 1 1 103 103 ALA CB C 13 18.703 0.083 . 1 . . . . 103 ALA CB . 17242 1
1088 . 1 1 103 103 ALA N N 15 120.668 0.024 . 1 . . . . 103 ALA N . 17242 1
1089 . 1 1 104 104 LEU H H 1 8.426 0.007 . 1 . . . . 104 LEU H . 17242 1
1090 . 1 1 104 104 LEU HA H 1 3.868 0.008 . 1 . . . . 104 LEU HA . 17242 1
1091 . 1 1 104 104 LEU HB2 H 1 1.422 0.004 . 2 . . . . 104 LEU HB2 . 17242 1
1092 . 1 1 104 104 LEU HB3 H 1 1.613 0.006 . 2 . . . . 104 LEU HB3 . 17242 1
1093 . 1 1 104 104 LEU HD11 H 1 0.692 0.014 . . . . . . 104 LEU QD1 . 17242 1
1094 . 1 1 104 104 LEU HD12 H 1 0.692 0.014 . . . . . . 104 LEU QD1 . 17242 1
1095 . 1 1 104 104 LEU HD13 H 1 0.692 0.014 . . . . . . 104 LEU QD1 . 17242 1
1096 . 1 1 104 104 LEU HD21 H 1 0.700 0.014 . . . . . . 104 LEU QD2 . 17242 1
1097 . 1 1 104 104 LEU HD22 H 1 0.700 0.014 . . . . . . 104 LEU QD2 . 17242 1
1098 . 1 1 104 104 LEU HD23 H 1 0.700 0.014 . . . . . . 104 LEU QD2 . 17242 1
1099 . 1 1 104 104 LEU HG H 1 1.498 0.001 . 1 . . . . 104 LEU HG . 17242 1
1100 . 1 1 104 104 LEU CA C 13 58.304 0.004 . 1 . . . . 104 LEU CA . 17242 1
1101 . 1 1 104 104 LEU CB C 13 41.804 0.000 . 1 . . . . 104 LEU CB . 17242 1
1102 . 1 1 104 104 LEU CD1 C 13 24.901 0.000 . 2 . . . . 104 LEU CD1 . 17242 1
1103 . 1 1 104 104 LEU N N 15 119.833 0.023 . 1 . . . . 104 LEU N . 17242 1
1104 . 1 1 105 105 LEU H H 1 8.421 0.001 . 1 . . . . 105 LEU H . 17242 1
1105 . 1 1 105 105 LEU HA H 1 3.836 0.010 . 1 . . . . 105 LEU HA . 17242 1
1106 . 1 1 105 105 LEU HB2 H 1 1.891 0.003 . 2 . . . . 105 LEU HB2 . 17242 1
1107 . 1 1 105 105 LEU HB3 H 1 1.390 0.010 . 2 . . . . 105 LEU HB3 . 17242 1
1108 . 1 1 105 105 LEU HD11 H 1 0.782 0.008 . . . . . . 105 LEU QD1 . 17242 1
1109 . 1 1 105 105 LEU HD12 H 1 0.782 0.008 . . . . . . 105 LEU QD1 . 17242 1
1110 . 1 1 105 105 LEU HD13 H 1 0.782 0.008 . . . . . . 105 LEU QD1 . 17242 1
1111 . 1 1 105 105 LEU HD21 H 1 0.862 0.005 . . . . . . 105 LEU QD2 . 17242 1
1112 . 1 1 105 105 LEU HD22 H 1 0.862 0.005 . . . . . . 105 LEU QD2 . 17242 1
1113 . 1 1 105 105 LEU HD23 H 1 0.862 0.005 . . . . . . 105 LEU QD2 . 17242 1
1114 . 1 1 105 105 LEU CA C 13 58.225 0.000 . 1 . . . . 105 LEU CA . 17242 1
1115 . 1 1 105 105 LEU CB C 13 40.868 0.047 . 1 . . . . 105 LEU CB . 17242 1
1116 . 1 1 105 105 LEU CD1 C 13 22.510 0.000 . 2 . . . . 105 LEU CD1 . 17242 1
1117 . 1 1 105 105 LEU N N 15 117.284 0.040 . 1 . . . . 105 LEU N . 17242 1
1118 . 1 1 106 106 ARG H H 1 7.899 0.004 . 1 . . . . 106 ARG H . 17242 1
1119 . 1 1 106 106 ARG HA H 1 4.021 0.010 . 1 . . . . 106 ARG HA . 17242 1
1120 . 1 1 106 106 ARG HB2 H 1 1.955 0.004 . 2 . . . . 106 ARG QB . 17242 1
1121 . 1 1 106 106 ARG HB3 H 1 1.955 0.004 . 2 . . . . 106 ARG QB . 17242 1
1122 . 1 1 106 106 ARG HD2 H 1 3.211 0.003 . 2 . . . . 106 ARG QD . 17242 1
1123 . 1 1 106 106 ARG HD3 H 1 3.211 0.003 . 2 . . . . 106 ARG QD . 17242 1
1124 . 1 1 106 106 ARG HG2 H 1 1.724 0.021 . 2 . . . . 106 ARG HG2 . 17242 1
1125 . 1 1 106 106 ARG HG3 H 1 1.600 0.010 . 2 . . . . 106 ARG HG3 . 17242 1
1126 . 1 1 106 106 ARG CA C 13 59.670 0.126 . 1 . . . . 106 ARG CA . 17242 1
1127 . 1 1 106 106 ARG CB C 13 29.892 0.000 . 1 . . . . 106 ARG CB . 17242 1
1128 . 1 1 106 106 ARG CD C 13 43.311 0.052 . 1 . . . . 106 ARG CD . 17242 1
1129 . 1 1 106 106 ARG CG C 13 27.418 0.000 . 1 . . . . 106 ARG CG . 17242 1
1130 . 1 1 106 106 ARG N N 15 119.038 0.106 . 1 . . . . 106 ARG N . 17242 1
1131 . 1 1 107 107 GLU H H 1 7.899 0.002 . 1 . . . . 107 GLU H . 17242 1
1132 . 1 1 107 107 GLU HA H 1 4.126 0.007 . 1 . . . . 107 GLU HA . 17242 1
1133 . 1 1 107 107 GLU HB2 H 1 2.131 0.007 . 2 . . . . 107 GLU HB2 . 17242 1
1134 . 1 1 107 107 GLU HB3 H 1 2.044 0.004 . 2 . . . . 107 GLU HB3 . 17242 1
1135 . 1 1 107 107 GLU HG2 H 1 2.357 0.008 . 2 . . . . 107 GLU HG2 . 17242 1
1136 . 1 1 107 107 GLU HG3 H 1 2.278 0.007 . 2 . . . . 107 GLU HG3 . 17242 1
1137 . 1 1 107 107 GLU CA C 13 58.984 0.081 . 1 . . . . 107 GLU CA . 17242 1
1138 . 1 1 107 107 GLU CB C 13 29.632 0.044 . 1 . . . . 107 GLU CB . 17242 1
1139 . 1 1 107 107 GLU CG C 13 36.165 0.001 . 1 . . . . 107 GLU CG . 17242 1
1140 . 1 1 107 107 GLU N N 15 119.217 0.109 . 1 . . . . 107 GLU N . 17242 1
1141 . 1 1 108 108 LEU H H 1 7.817 0.007 . 1 . . . . 108 LEU H . 17242 1
1142 . 1 1 108 108 LEU HA H 1 4.163 0.013 . 1 . . . . 108 LEU HA . 17242 1
1143 . 1 1 108 108 LEU HB2 H 1 1.767 0.008 . 2 . . . . 108 LEU HB2 . 17242 1
1144 . 1 1 108 108 LEU HB3 H 1 1.360 0.008 . 2 . . . . 108 LEU HB3 . 17242 1
1145 . 1 1 108 108 LEU HD11 H 1 0.696 0.013 . . . . . . 108 LEU QD1 . 17242 1
1146 . 1 1 108 108 LEU HD12 H 1 0.696 0.013 . . . . . . 108 LEU QD1 . 17242 1
1147 . 1 1 108 108 LEU HD13 H 1 0.696 0.013 . . . . . . 108 LEU QD1 . 17242 1
1148 . 1 1 108 108 LEU HD21 H 1 0.676 0.006 . . . . . . 108 LEU QD2 . 17242 1
1149 . 1 1 108 108 LEU HD22 H 1 0.676 0.006 . . . . . . 108 LEU QD2 . 17242 1
1150 . 1 1 108 108 LEU HD23 H 1 0.676 0.006 . . . . . . 108 LEU QD2 . 17242 1
1151 . 1 1 108 108 LEU HG H 1 1.909 0.003 . 1 . . . . 108 LEU HG . 17242 1
1152 . 1 1 108 108 LEU CA C 13 55.545 0.008 . 1 . . . . 108 LEU CA . 17242 1
1153 . 1 1 108 108 LEU CB C 13 42.632 0.013 . 1 . . . . 108 LEU CB . 17242 1
1154 . 1 1 108 108 LEU CD1 C 13 23.073 0.103 . 2 . . . . 108 LEU CD1 . 17242 1
1155 . 1 1 108 108 LEU CD2 C 13 25.575 0.000 . 2 . . . . 108 LEU CD2 . 17242 1
1156 . 1 1 108 108 LEU N N 15 114.984 0.017 . 1 . . . . 108 LEU N . 17242 1
1157 . 1 1 109 109 SER H H 1 7.765 0.003 . 1 . . . . 109 SER H . 17242 1
1158 . 1 1 109 109 SER HA H 1 4.194 0.009 . 1 . . . . 109 SER HA . 17242 1
1159 . 1 1 109 109 SER HB2 H 1 3.982 0.007 . 2 . . . . 109 SER QB . 17242 1
1160 . 1 1 109 109 SER HB3 H 1 3.982 0.007 . 2 . . . . 109 SER QB . 17242 1
1161 . 1 1 109 109 SER CA C 13 61.568 0.039 . 1 . . . . 109 SER CA . 17242 1
1162 . 1 1 109 109 SER CB C 13 63.353 0.012 . 1 . . . . 109 SER CB . 17242 1
1163 . 1 1 109 109 SER N N 15 115.085 0.039 . 1 . . . . 109 SER N . 17242 1
1164 . 1 1 110 110 ASP H H 1 8.001 0.003 . 1 . . . . 110 ASP H . 17242 1
1165 . 1 1 110 110 ASP HA H 1 4.519 0.004 . 1 . . . . 110 ASP HA . 17242 1
1166 . 1 1 110 110 ASP HB2 H 1 2.703 0.004 . 2 . . . . 110 ASP QB . 17242 1
1167 . 1 1 110 110 ASP HB3 H 1 2.703 0.004 . 2 . . . . 110 ASP QB . 17242 1
1168 . 1 1 110 110 ASP CB C 13 40.503 0.007 . 1 . . . . 110 ASP CB . 17242 1
1169 . 1 1 110 110 ASP N N 15 118.446 0.026 . 1 . . . . 110 ASP N . 17242 1
1170 . 1 1 111 111 VAL H H 1 7.495 0.002 . 1 . . . . 111 VAL H . 17242 1
1171 . 1 1 111 111 VAL HA H 1 4.385 0.013 . 1 . . . . 111 VAL HA . 17242 1
1172 . 1 1 111 111 VAL HB H 1 2.086 0.007 . 1 . . . . 111 VAL HB . 17242 1
1173 . 1 1 111 111 VAL HG11 H 1 0.924 0.006 . . . . . . 111 VAL QG1 . 17242 1
1174 . 1 1 111 111 VAL HG12 H 1 0.924 0.006 . . . . . . 111 VAL QG1 . 17242 1
1175 . 1 1 111 111 VAL HG13 H 1 0.924 0.006 . . . . . . 111 VAL QG1 . 17242 1
1176 . 1 1 111 111 VAL HG21 H 1 0.891 0.011 . . . . . . 111 VAL QG2 . 17242 1
1177 . 1 1 111 111 VAL HG22 H 1 0.891 0.011 . . . . . . 111 VAL QG2 . 17242 1
1178 . 1 1 111 111 VAL HG23 H 1 0.891 0.011 . . . . . . 111 VAL QG2 . 17242 1
1179 . 1 1 111 111 VAL CA C 13 61.785 0.000 . 1 . . . . 111 VAL CA . 17242 1
1180 . 1 1 111 111 VAL CB C 13 33.707 0.000 . 1 . . . . 111 VAL CB . 17242 1
1181 . 1 1 111 111 VAL CG1 C 13 22.080 0.259 . 2 . . . . 111 VAL CG1 . 17242 1
1182 . 1 1 111 111 VAL CG2 C 13 20.782 0.038 . 2 . . . . 111 VAL CG2 . 17242 1
1183 . 1 1 111 111 VAL N N 15 112.189 0.000 . 1 . . . . 111 VAL N . 17242 1
1184 . 1 1 112 112 VAL H H 1 7.805 0.003 . 1 . . . . 112 VAL H . 17242 1
1185 . 1 1 112 112 VAL HA H 1 4.508 0.009 . 1 . . . . 112 VAL HA . 17242 1
1186 . 1 1 112 112 VAL HB H 1 2.101 0.012 . 1 . . . . 112 VAL HB . 17242 1
1187 . 1 1 112 112 VAL HG11 H 1 0.922 0.006 . . . . . . 112 VAL QG1 . 17242 1
1188 . 1 1 112 112 VAL HG12 H 1 0.922 0.006 . . . . . . 112 VAL QG1 . 17242 1
1189 . 1 1 112 112 VAL HG13 H 1 0.922 0.006 . . . . . . 112 VAL QG1 . 17242 1
1190 . 1 1 112 112 VAL HG21 H 1 0.926 0.007 . . . . . . 112 VAL QG2 . 17242 1
1191 . 1 1 112 112 VAL HG22 H 1 0.926 0.007 . . . . . . 112 VAL QG2 . 17242 1
1192 . 1 1 112 112 VAL HG23 H 1 0.926 0.007 . . . . . . 112 VAL QG2 . 17242 1
1193 . 1 1 112 112 VAL CA C 13 59.401 0.000 . 1 . . . . 112 VAL CA . 17242 1
1194 . 1 1 112 112 VAL CB C 13 32.124 0.000 . 1 . . . . 112 VAL CB . 17242 1
1195 . 1 1 112 112 VAL CG1 C 13 21.997 0.169 . 2 . . . . 112 VAL CG1 . 17242 1
1196 . 1 1 112 112 VAL CG2 C 13 22.340 0.102 . 2 . . . . 112 VAL CG2 . 17242 1
1197 . 1 1 112 112 VAL N N 15 121.477 0.024 . 1 . . . . 112 VAL N . 17242 1
1198 . 1 1 113 113 PRO HA H 1 4.495 0.004 . 1 . . . . 113 PRO HA . 17242 1
1199 . 1 1 113 113 PRO HB2 H 1 1.883 0.003 . 2 . . . . 113 PRO HB2 . 17242 1
1200 . 1 1 113 113 PRO HB3 H 1 2.332 0.000 . 2 . . . . 113 PRO HB3 . 17242 1
1201 . 1 1 113 113 PRO HG2 H 1 1.975 0.006 . 2 . . . . 113 PRO QG . 17242 1
1202 . 1 1 113 113 PRO HG3 H 1 1.975 0.006 . 2 . . . . 113 PRO QG . 17242 1
1203 . 1 1 113 113 PRO CA C 13 64.085 0.002 . 1 . . . . 113 PRO CA . 17242 1
1204 . 1 1 113 113 PRO CB C 13 32.253 0.000 . 1 . . . . 113 PRO CB . 17242 1
1205 . 1 1 113 113 PRO CG C 13 27.309 0.033 . 1 . . . . 113 PRO CG . 17242 1
1206 . 1 1 114 114 ASN H H 1 8.681 0.002 . 1 . . . . 114 ASN H . 17242 1
1207 . 1 1 114 114 ASN HA H 1 4.539 0.005 . 1 . . . . 114 ASN HA . 17242 1
1208 . 1 1 114 114 ASN HB2 H 1 2.747 0.007 . 2 . . . . 114 ASN HB2 . 17242 1
1209 . 1 1 114 114 ASN HB3 H 1 2.853 0.008 . 2 . . . . 114 ASN HB3 . 17242 1
1210 . 1 1 114 114 ASN CA C 13 54.248 0.042 . 1 . . . . 114 ASN CA . 17242 1
1211 . 1 1 114 114 ASN CB C 13 37.824 0.000 . 1 . . . . 114 ASN CB . 17242 1
1212 . 1 1 114 114 ASN N N 15 115.757 0.078 . 1 . . . . 114 ASN N . 17242 1
1213 . 1 1 115 115 LEU H H 1 8.238 0.005 . 1 . . . . 115 LEU H . 17242 1
1214 . 1 1 115 115 LEU N N 15 120.166 0.011 . 1 . . . . 115 LEU N . 17242 1
stop_
save_