data_16711
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16711
_Entry.Title
;
NMR structure of the protein NP_415897.1
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-02-06
_Entry.Accession_date 2010-02-06
_Entry.Last_release_date 2012-08-03
_Entry.Original_release_date 2012-08-03
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.13
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype 'SOLUTION NMR'
_Entry.Details 'NMR structure of the protein NP_415897.1'
_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 Pedro Serrano . . . 16711
2 Kristaps Jaudzems . . . 16711
3 Michael Geralt . . . 16711
4 Reto Horst . . . 16711
5 Kurt Wuthrich . . . 16711
6 Ian Wilson . A. . 16711
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 16711
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
JCSG . 16711
NMR . 16711
NP_415897.1 . 16711
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 16711
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 387 16711
'15N chemical shifts' 131 16711
'1H chemical shifts' 822 16711
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 . . 2012-08-03 2010-02-06 original author . 16711
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2KTS 'BMRB Entry Tracking System' 16711
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 16711
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title 'NMR structure of the protein NP_415897.1'
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'Not known'
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Pedro Serrano . . . 16711 1
2 Kristaps Jaudzems . . . 16711 1
3 Michael Geralt . . . 16711 1
4 Reto Horst . . . 16711 1
5 Ian Wilson . A. . 16711 1
6 Kurt Wuthrich . . . 16711 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 16711
_Assembly.ID 1
_Assembly.Name NP_415897.1
_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 NP_415897.1 1 $entity A . yes native no no . . . 16711 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity
_Entity.Sf_category entity
_Entity.Sf_framecode entity
_Entity.Entry_ID 16711
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name NP_415897.1
_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
;
MVTPEQLQHHRFVLESVNGK
PVTSDKNPPEISFGEKMMIS
GSMCNRFSGEGKLSNGELTA
KGLAMTRMMCANPQLNELDN
TISEMLKEGAQVDLTANQLT
LATAKQTLTYKLADLMN
;
_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 117
_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 12846.825
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2KTS . "Nmr Structure Of The Protein Np_415897.1" . . . . . 100.00 117 100.00 100.00 2.15e-79 . . . . 16711 1
2 no DBJ BAA14984 . "heat-inducible protein [Escherichia coli str. K12 substr. W3110]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1
3 no DBJ BAB35424 . "heat shock protein hslJ [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.15 140 99.14 99.14 5.27e-78 . . . . 16711 1
4 no DBJ BAG76988 . "heat shock protein [Escherichia coli SE11]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1
5 no DBJ BAI25261 . "heat-inducible protein HslJ [Escherichia coli O26:H11 str. 11368]" . . . . . 99.15 140 100.00 100.00 8.62e-79 . . . . 16711 1
6 no DBJ BAI30341 . "heat-inducible protein HslJ [Escherichia coli O103:H2 str. 12009]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1
7 no EMBL CAP75894 . "Heat shock protein hslJ [Escherichia coli LF82]" . . . . . 99.15 140 100.00 100.00 4.94e-79 . . . . 16711 1
8 no EMBL CAQ31880 . "heat shock protein HslJ [Escherichia coli BL21(DE3)]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1
9 no EMBL CAQ98238 . "heat-inducible protein [Escherichia coli IAI1]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1
10 no EMBL CAR02814 . "heat-inducible protein [Escherichia coli S88]" . . . . . 99.15 140 99.14 99.14 1.97e-78 . . . . 16711 1
11 no EMBL CAR07740 . "heat-inducible protein [Escherichia coli ED1a]" . . . . . 99.15 140 100.00 100.00 4.94e-79 . . . . 16711 1
12 no GB AAC74461 . "heat-inducible lipoprotein involved in novobiocin resistance [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1
13 no GB AAG56381 . "heat shock protein hslJ [Escherichia coli O157:H7 str. EDL933]" . . . . . 99.15 140 99.14 99.14 5.27e-78 . . . . 16711 1
14 no GB AAN80290 . "Heat shock protein hslJ [Escherichia coli CFT073]" . . . . . 99.15 144 100.00 100.00 4.01e-79 . . . . 16711 1
15 no GB AAZ88432 . "heat shock protein hslJ [Shigella sonnei Ss046]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1
16 no GB ABB66292 . "heat shock protein hslJ [Shigella boydii Sb227]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1
17 no REF NP_310028 . "heat-inducible protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.15 140 99.14 99.14 5.27e-78 . . . . 16711 1
18 no REF NP_415897 . "heat-inducible lipoprotein involved in novobiocin resistance [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1
19 no REF WP_000129114 . "heat-inducible protein [Escherichia coli]" . . . . . 99.15 156 99.14 100.00 1.58e-77 . . . . 16711 1
20 no REF WP_001295716 . "heat-shock protein HslJ [Escherichia coli]" . . . . . 99.15 140 100.00 100.00 8.62e-79 . . . . 16711 1
21 no REF WP_001296048 . "MULTISPECIES: heat-inducible protein [Enterobacteriaceae]" . . . . . 99.15 140 100.00 100.00 4.94e-79 . . . . 16711 1
22 no SP P52644 . "RecName: Full=Heat shock protein HslJ" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 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 . 16711 1
2 . VAL . 16711 1
3 . THR . 16711 1
4 . PRO . 16711 1
5 . GLU . 16711 1
6 . GLN . 16711 1
7 . LEU . 16711 1
8 . GLN . 16711 1
9 . HIS . 16711 1
10 . HIS . 16711 1
11 . ARG . 16711 1
12 . PHE . 16711 1
13 . VAL . 16711 1
14 . LEU . 16711 1
15 . GLU . 16711 1
16 . SER . 16711 1
17 . VAL . 16711 1
18 . ASN . 16711 1
19 . GLY . 16711 1
20 . LYS . 16711 1
21 . PRO . 16711 1
22 . VAL . 16711 1
23 . THR . 16711 1
24 . SER . 16711 1
25 . ASP . 16711 1
26 . LYS . 16711 1
27 . ASN . 16711 1
28 . PRO . 16711 1
29 . PRO . 16711 1
30 . GLU . 16711 1
31 . ILE . 16711 1
32 . SER . 16711 1
33 . PHE . 16711 1
34 . GLY . 16711 1
35 . GLU . 16711 1
36 . LYS . 16711 1
37 . MET . 16711 1
38 . MET . 16711 1
39 . ILE . 16711 1
40 . SER . 16711 1
41 . GLY . 16711 1
42 . SER . 16711 1
43 . MET . 16711 1
44 . CYS . 16711 1
45 . ASN . 16711 1
46 . ARG . 16711 1
47 . PHE . 16711 1
48 . SER . 16711 1
49 . GLY . 16711 1
50 . GLU . 16711 1
51 . GLY . 16711 1
52 . LYS . 16711 1
53 . LEU . 16711 1
54 . SER . 16711 1
55 . ASN . 16711 1
56 . GLY . 16711 1
57 . GLU . 16711 1
58 . LEU . 16711 1
59 . THR . 16711 1
60 . ALA . 16711 1
61 . LYS . 16711 1
62 . GLY . 16711 1
63 . LEU . 16711 1
64 . ALA . 16711 1
65 . MET . 16711 1
66 . THR . 16711 1
67 . ARG . 16711 1
68 . MET . 16711 1
69 . MET . 16711 1
70 . CYS . 16711 1
71 . ALA . 16711 1
72 . ASN . 16711 1
73 . PRO . 16711 1
74 . GLN . 16711 1
75 . LEU . 16711 1
76 . ASN . 16711 1
77 . GLU . 16711 1
78 . LEU . 16711 1
79 . ASP . 16711 1
80 . ASN . 16711 1
81 . THR . 16711 1
82 . ILE . 16711 1
83 . SER . 16711 1
84 . GLU . 16711 1
85 . MET . 16711 1
86 . LEU . 16711 1
87 . LYS . 16711 1
88 . GLU . 16711 1
89 . GLY . 16711 1
90 . ALA . 16711 1
91 . GLN . 16711 1
92 . VAL . 16711 1
93 . ASP . 16711 1
94 . LEU . 16711 1
95 . THR . 16711 1
96 . ALA . 16711 1
97 . ASN . 16711 1
98 . GLN . 16711 1
99 . LEU . 16711 1
100 . THR . 16711 1
101 . LEU . 16711 1
102 . ALA . 16711 1
103 . THR . 16711 1
104 . ALA . 16711 1
105 . LYS . 16711 1
106 . GLN . 16711 1
107 . THR . 16711 1
108 . LEU . 16711 1
109 . THR . 16711 1
110 . TYR . 16711 1
111 . LYS . 16711 1
112 . LEU . 16711 1
113 . ALA . 16711 1
114 . ASP . 16711 1
115 . LEU . 16711 1
116 . MET . 16711 1
117 . ASN . 16711 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 16711 1
. VAL 2 2 16711 1
. THR 3 3 16711 1
. PRO 4 4 16711 1
. GLU 5 5 16711 1
. GLN 6 6 16711 1
. LEU 7 7 16711 1
. GLN 8 8 16711 1
. HIS 9 9 16711 1
. HIS 10 10 16711 1
. ARG 11 11 16711 1
. PHE 12 12 16711 1
. VAL 13 13 16711 1
. LEU 14 14 16711 1
. GLU 15 15 16711 1
. SER 16 16 16711 1
. VAL 17 17 16711 1
. ASN 18 18 16711 1
. GLY 19 19 16711 1
. LYS 20 20 16711 1
. PRO 21 21 16711 1
. VAL 22 22 16711 1
. THR 23 23 16711 1
. SER 24 24 16711 1
. ASP 25 25 16711 1
. LYS 26 26 16711 1
. ASN 27 27 16711 1
. PRO 28 28 16711 1
. PRO 29 29 16711 1
. GLU 30 30 16711 1
. ILE 31 31 16711 1
. SER 32 32 16711 1
. PHE 33 33 16711 1
. GLY 34 34 16711 1
. GLU 35 35 16711 1
. LYS 36 36 16711 1
. MET 37 37 16711 1
. MET 38 38 16711 1
. ILE 39 39 16711 1
. SER 40 40 16711 1
. GLY 41 41 16711 1
. SER 42 42 16711 1
. MET 43 43 16711 1
. CYS 44 44 16711 1
. ASN 45 45 16711 1
. ARG 46 46 16711 1
. PHE 47 47 16711 1
. SER 48 48 16711 1
. GLY 49 49 16711 1
. GLU 50 50 16711 1
. GLY 51 51 16711 1
. LYS 52 52 16711 1
. LEU 53 53 16711 1
. SER 54 54 16711 1
. ASN 55 55 16711 1
. GLY 56 56 16711 1
. GLU 57 57 16711 1
. LEU 58 58 16711 1
. THR 59 59 16711 1
. ALA 60 60 16711 1
. LYS 61 61 16711 1
. GLY 62 62 16711 1
. LEU 63 63 16711 1
. ALA 64 64 16711 1
. MET 65 65 16711 1
. THR 66 66 16711 1
. ARG 67 67 16711 1
. MET 68 68 16711 1
. MET 69 69 16711 1
. CYS 70 70 16711 1
. ALA 71 71 16711 1
. ASN 72 72 16711 1
. PRO 73 73 16711 1
. GLN 74 74 16711 1
. LEU 75 75 16711 1
. ASN 76 76 16711 1
. GLU 77 77 16711 1
. LEU 78 78 16711 1
. ASP 79 79 16711 1
. ASN 80 80 16711 1
. THR 81 81 16711 1
. ILE 82 82 16711 1
. SER 83 83 16711 1
. GLU 84 84 16711 1
. MET 85 85 16711 1
. LEU 86 86 16711 1
. LYS 87 87 16711 1
. GLU 88 88 16711 1
. GLY 89 89 16711 1
. ALA 90 90 16711 1
. GLN 91 91 16711 1
. VAL 92 92 16711 1
. ASP 93 93 16711 1
. LEU 94 94 16711 1
. THR 95 95 16711 1
. ALA 96 96 16711 1
. ASN 97 97 16711 1
. GLN 98 98 16711 1
. LEU 99 99 16711 1
. THR 100 100 16711 1
. LEU 101 101 16711 1
. ALA 102 102 16711 1
. THR 103 103 16711 1
. ALA 104 104 16711 1
. LYS 105 105 16711 1
. GLN 106 106 16711 1
. THR 107 107 16711 1
. LEU 108 108 16711 1
. THR 109 109 16711 1
. TYR 110 110 16711 1
. LYS 111 111 16711 1
. LEU 112 112 16711 1
. ALA 113 113 16711 1
. ASP 114 114 16711 1
. LEU 115 115 16711 1
. MET 116 116 16711 1
. ASN 117 117 16711 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 16711
_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 . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli k12 . . . . . . . . . . . . . . . . . . . . 16711 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 16711
_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) . . . . . . . . . . . . . . pET25b . . . . . . 16711 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 16711
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 NP_415897.1 '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 16711 1
2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16711 1
3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16711 1
4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16711 1
5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16711 1
6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16711 1
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 16711
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.1 . M 16711 1
pH 6.0 . pH 16711 1
pressure 1 . atm 16711 1
temperature 298 . K 16711 1
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 16711
_Software.ID 1
_Software.Name CYANA
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 16711 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 16711 1
stop_
save_
save_CARA
_Software.Sf_category software
_Software.Sf_framecode CARA
_Software.Entry_ID 16711
_Software.ID 2
_Software.Name CARA
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Keller and Wuthrich' . . 16711 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 16711 2
stop_
save_
save_Topspin
_Software.Sf_category software
_Software.Sf_framecode Topspin
_Software.Entry_ID 16711
_Software.ID 3
_Software.Name TOPSPIN
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bruker Biospin' . . 16711 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 16711 3
processing 16711 3
stop_
save_
save_OPAL
_Software.Sf_category software
_Software.Sf_framecode OPAL
_Software.Entry_ID 16711
_Software.ID 4
_Software.Name OPAL
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Luginbuhl, Guntert, Billeter and Wuthrich' . . 16711 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 16711 4
stop_
save_
save_UNIO
_Software.Sf_category software
_Software.Sf_framecode UNIO
_Software.Entry_ID 16711
_Software.ID 5
_Software.Name UNIO
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Herrmann and Wuthrich' . . 16711 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 16711 5
'peak picking' 16711 5
'structure solution' 16711 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 16711
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 16711
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 16711
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker Avance . 600 . . . 16711 1
2 spectrometer_2 Bruker Avance . 800 . . . 16711 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 16711
_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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16711 1
2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16711 1
3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16711 1
4 '3D 1H-13C NOESY (Ali)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16711 1
5 '3D 1H-13C NOESY (Aro)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16711 1
6 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16711 1
7 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16711 1
8 'APSY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16711 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 16711
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16711 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16711 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16711 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 16711
_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' . . . 16711 1
3 '3D 1H-15N NOESY' . . . 16711 1
4 '3D 1H-13C NOESY (Ali)' . . . 16711 1
5 '3D 1H-13C NOESY (Aro)' . . . 16711 1
6 'APSY 5D-CBCACONH' . . . 16711 1
7 'APSY 5D-HACACONH' . . . 16711 1
8 'APSY 4D-HACANH' . . . 16711 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
2 $CARA . . 16711 1
3 $Topspin . . 16711 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 1 1 MET HA H 1 4.110 0.006 . 1 . . . . 1 MET HA . 16711 1
2 . 1 1 1 1 MET HB2 H 1 2.049 0.006 . 2 . . . . 1 MET QB . 16711 1
3 . 1 1 1 1 MET HB3 H 1 2.049 0.006 . 2 . . . . 1 MET QB . 16711 1
4 . 1 1 1 1 MET HG2 H 1 2.516 0.006 . 2 . . . . 1 MET HG2 . 16711 1
5 . 1 1 1 1 MET HG3 H 1 2.410 0.006 . 2 . . . . 1 MET HG3 . 16711 1
6 . 1 1 1 1 MET CA C 13 55.120 0.16 . 1 . . . . 1 MET CA . 16711 1
7 . 1 1 1 1 MET CB C 13 33.492 0.16 . 1 . . . . 1 MET CB . 16711 1
8 . 1 1 1 1 MET CG C 13 31.060 0.16 . 1 . . . . 1 MET CG . 16711 1
9 . 1 1 2 2 VAL H H 1 8.457 0.006 . 1 . . . . 2 VAL H . 16711 1
10 . 1 1 2 2 VAL HA H 1 4.409 0.006 . 1 . . . . 2 VAL HA . 16711 1
11 . 1 1 2 2 VAL HB H 1 1.756 0.006 . 1 . . . . 2 VAL HB . 16711 1
12 . 1 1 2 2 VAL HG11 H 1 0.671 0.006 . 1 . . . . 2 VAL QG1 . 16711 1
13 . 1 1 2 2 VAL HG12 H 1 0.671 0.006 . 1 . . . . 2 VAL QG1 . 16711 1
14 . 1 1 2 2 VAL HG13 H 1 0.671 0.006 . 1 . . . . 2 VAL QG1 . 16711 1
15 . 1 1 2 2 VAL HG21 H 1 0.848 0.006 . 1 . . . . 2 VAL QG2 . 16711 1
16 . 1 1 2 2 VAL HG22 H 1 0.848 0.006 . 1 . . . . 2 VAL QG2 . 16711 1
17 . 1 1 2 2 VAL HG23 H 1 0.848 0.006 . 1 . . . . 2 VAL QG2 . 16711 1
18 . 1 1 2 2 VAL CA C 13 62.287 0.16 . 1 . . . . 2 VAL CA . 16711 1
19 . 1 1 2 2 VAL CB C 13 33.156 0.16 . 1 . . . . 2 VAL CB . 16711 1
20 . 1 1 2 2 VAL CG1 C 13 21.666 0.16 . 2 . . . . 2 VAL CG1 . 16711 1
21 . 1 1 2 2 VAL CG2 C 13 23.178 0.16 . 2 . . . . 2 VAL CG2 . 16711 1
22 . 1 1 2 2 VAL N N 15 124.856 0.12 . 1 . . . . 2 VAL N . 16711 1
23 . 1 1 3 3 THR H H 1 7.709 0.006 . 1 . . . . 3 THR H . 16711 1
24 . 1 1 3 3 THR HA H 1 4.760 0.006 . 1 . . . . 3 THR HA . 16711 1
25 . 1 1 3 3 THR HB H 1 4.570 0.006 . 1 . . . . 3 THR HB . 16711 1
26 . 1 1 3 3 THR HG21 H 1 1.151 0.006 . 1 . . . . 3 THR QG2 . 16711 1
27 . 1 1 3 3 THR HG22 H 1 1.151 0.006 . 1 . . . . 3 THR QG2 . 16711 1
28 . 1 1 3 3 THR HG23 H 1 1.151 0.006 . 1 . . . . 3 THR QG2 . 16711 1
29 . 1 1 3 3 THR CA C 13 58.591 0.16 . 1 . . . . 3 THR CA . 16711 1
30 . 1 1 3 3 THR CB C 13 69.384 0.16 . 1 . . . . 3 THR CB . 16711 1
31 . 1 1 3 3 THR CG2 C 13 22.393 0.16 . 1 . . . . 3 THR CG2 . 16711 1
32 . 1 1 3 3 THR N N 15 115.665 0.12 . 1 . . . . 3 THR N . 16711 1
33 . 1 1 4 4 PRO HA H 1 3.953 0.006 . 1 . . . . 4 PRO HA . 16711 1
34 . 1 1 4 4 PRO HB2 H 1 1.793 0.006 . 2 . . . . 4 PRO HB2 . 16711 1
35 . 1 1 4 4 PRO HB3 H 1 2.172 0.006 . 2 . . . . 4 PRO HB3 . 16711 1
36 . 1 1 4 4 PRO HD2 H 1 3.889 0.006 . 2 . . . . 4 PRO HD2 . 16711 1
37 . 1 1 4 4 PRO HD3 H 1 3.732 0.006 . 2 . . . . 4 PRO HD3 . 16711 1
38 . 1 1 4 4 PRO HG2 H 1 1.906 0.006 . 2 . . . . 4 PRO HG2 . 16711 1
39 . 1 1 4 4 PRO HG3 H 1 2.245 0.006 . 2 . . . . 4 PRO HG3 . 16711 1
40 . 1 1 4 4 PRO CA C 13 66.334 0.16 . 1 . . . . 4 PRO CA . 16711 1
41 . 1 1 4 4 PRO CB C 13 32.271 0.16 . 1 . . . . 4 PRO CB . 16711 1
42 . 1 1 4 4 PRO CD C 13 50.900 0.16 . 1 . . . . 4 PRO CD . 16711 1
43 . 1 1 4 4 PRO CG C 13 28.543 0.16 . 1 . . . . 4 PRO CG . 16711 1
44 . 1 1 5 5 GLU H H 1 8.757 0.006 . 1 . . . . 5 GLU H . 16711 1
45 . 1 1 5 5 GLU HA H 1 3.940 0.006 . 1 . . . . 5 GLU HA . 16711 1
46 . 1 1 5 5 GLU HB2 H 1 1.993 0.006 . 2 . . . . 5 GLU HB2 . 16711 1
47 . 1 1 5 5 GLU HB3 H 1 1.939 0.006 . 2 . . . . 5 GLU HB3 . 16711 1
48 . 1 1 5 5 GLU HG2 H 1 2.396 0.006 . 2 . . . . 5 GLU HG2 . 16711 1
49 . 1 1 5 5 GLU HG3 H 1 2.201 0.006 . 2 . . . . 5 GLU HG3 . 16711 1
50 . 1 1 5 5 GLU CA C 13 60.032 0.16 . 1 . . . . 5 GLU CA . 16711 1
51 . 1 1 5 5 GLU CB C 13 28.799 0.16 . 1 . . . . 5 GLU CB . 16711 1
52 . 1 1 5 5 GLU CG C 13 37.282 0.16 . 1 . . . . 5 GLU CG . 16711 1
53 . 1 1 5 5 GLU N N 15 115.254 0.12 . 1 . . . . 5 GLU N . 16711 1
54 . 1 1 6 6 GLN H H 1 7.538 0.006 . 1 . . . . 6 GLN H . 16711 1
55 . 1 1 6 6 GLN HA H 1 4.117 0.006 . 1 . . . . 6 GLN HA . 16711 1
56 . 1 1 6 6 GLN HB2 H 1 1.931 0.006 . 2 . . . . 6 GLN HB2 . 16711 1
57 . 1 1 6 6 GLN HB3 H 1 2.120 0.006 . 2 . . . . 6 GLN HB3 . 16711 1
58 . 1 1 6 6 GLN HE21 H 1 6.831 0.006 . 2 . . . . 6 GLN HE21 . 16711 1
59 . 1 1 6 6 GLN HE22 H 1 7.498 0.006 . 2 . . . . 6 GLN HE22 . 16711 1
60 . 1 1 6 6 GLN HG2 H 1 2.314 0.006 . 2 . . . . 6 GLN QG . 16711 1
61 . 1 1 6 6 GLN HG3 H 1 2.314 0.006 . 2 . . . . 6 GLN QG . 16711 1
62 . 1 1 6 6 GLN CA C 13 58.084 0.16 . 1 . . . . 6 GLN CA . 16711 1
63 . 1 1 6 6 GLN CB C 13 30.769 0.16 . 1 . . . . 6 GLN CB . 16711 1
64 . 1 1 6 6 GLN CG C 13 35.817 0.16 . 1 . . . . 6 GLN CG . 16711 1
65 . 1 1 6 6 GLN N N 15 116.415 0.12 . 1 . . . . 6 GLN N . 16711 1
66 . 1 1 6 6 GLN NE2 N 15 111.060 0.12 . 1 . . . . 6 GLN NE2 . 16711 1
67 . 1 1 7 7 LEU H H 1 6.891 0.006 . 1 . . . . 7 LEU H . 16711 1
68 . 1 1 7 7 LEU HA H 1 4.268 0.006 . 1 . . . . 7 LEU HA . 16711 1
69 . 1 1 7 7 LEU HB2 H 1 1.177 0.006 . 2 . . . . 7 LEU HB2 . 16711 1
70 . 1 1 7 7 LEU HB3 H 1 0.590 0.006 . 2 . . . . 7 LEU HB3 . 16711 1
71 . 1 1 7 7 LEU HD11 H 1 -0.007 0.006 . 1 . . . . 7 LEU QD1 . 16711 1
72 . 1 1 7 7 LEU HD12 H 1 -0.007 0.006 . 1 . . . . 7 LEU QD1 . 16711 1
73 . 1 1 7 7 LEU HD13 H 1 -0.007 0.006 . 1 . . . . 7 LEU QD1 . 16711 1
74 . 1 1 7 7 LEU HD21 H 1 0.163 0.006 . 1 . . . . 7 LEU QD2 . 16711 1
75 . 1 1 7 7 LEU HD22 H 1 0.163 0.006 . 1 . . . . 7 LEU QD2 . 16711 1
76 . 1 1 7 7 LEU HD23 H 1 0.163 0.006 . 1 . . . . 7 LEU QD2 . 16711 1
77 . 1 1 7 7 LEU HG H 1 1.152 0.006 . 1 . . . . 7 LEU HG . 16711 1
78 . 1 1 7 7 LEU CA C 13 56.100 0.16 . 1 . . . . 7 LEU CA . 16711 1
79 . 1 1 7 7 LEU CB C 13 43.801 0.16 . 1 . . . . 7 LEU CB . 16711 1
80 . 1 1 7 7 LEU CD1 C 13 25.488 0.16 . 2 . . . . 7 LEU CD1 . 16711 1
81 . 1 1 7 7 LEU CD2 C 13 23.239 0.16 . 2 . . . . 7 LEU CD2 . 16711 1
82 . 1 1 7 7 LEU CG C 13 26.039 0.16 . 1 . . . . 7 LEU CG . 16711 1
83 . 1 1 7 7 LEU N N 15 115.020 0.12 . 1 . . . . 7 LEU N . 16711 1
84 . 1 1 8 8 GLN H H 1 7.808 0.006 . 1 . . . . 8 GLN H . 16711 1
85 . 1 1 8 8 GLN HA H 1 3.485 0.006 . 1 . . . . 8 GLN HA . 16711 1
86 . 1 1 8 8 GLN HB2 H 1 1.710 0.006 . 2 . . . . 8 GLN HB2 . 16711 1
87 . 1 1 8 8 GLN HB3 H 1 1.190 0.006 . 2 . . . . 8 GLN HB3 . 16711 1
88 . 1 1 8 8 GLN HE21 H 1 6.964 0.006 . 2 . . . . 8 GLN HE21 . 16711 1
89 . 1 1 8 8 GLN HE22 H 1 7.102 0.006 . 2 . . . . 8 GLN HE22 . 16711 1
90 . 1 1 8 8 GLN HG2 H 1 2.333 0.006 . 2 . . . . 8 GLN HG2 . 16711 1
91 . 1 1 8 8 GLN HG3 H 1 2.462 0.006 . 2 . . . . 8 GLN HG3 . 16711 1
92 . 1 1 8 8 GLN CA C 13 58.476 0.16 . 1 . . . . 8 GLN CA . 16711 1
93 . 1 1 8 8 GLN CB C 13 29.596 0.16 . 1 . . . . 8 GLN CB . 16711 1
94 . 1 1 8 8 GLN CG C 13 36.177 0.16 . 1 . . . . 8 GLN CG . 16711 1
95 . 1 1 8 8 GLN N N 15 114.473 0.12 . 1 . . . . 8 GLN N . 16711 1
96 . 1 1 8 8 GLN NE2 N 15 108.912 0.12 . 1 . . . . 8 GLN NE2 . 16711 1
97 . 1 1 9 9 HIS H H 1 8.428 0.006 . 1 . . . . 9 HIS H . 16711 1
98 . 1 1 9 9 HIS HA H 1 4.152 0.006 . 1 . . . . 9 HIS HA . 16711 1
99 . 1 1 9 9 HIS HB2 H 1 3.160 0.006 . 2 . . . . 9 HIS HB2 . 16711 1
100 . 1 1 9 9 HIS HB3 H 1 3.309 0.006 . 2 . . . . 9 HIS HB3 . 16711 1
101 . 1 1 9 9 HIS HD2 H 1 7.017 0.006 . 1 . . . . 9 HIS HD2 . 16711 1
102 . 1 1 9 9 HIS HE1 H 1 8.399 0.006 . 1 . . . . 9 HIS HE1 . 16711 1
103 . 1 1 9 9 HIS CA C 13 57.299 0.16 . 1 . . . . 9 HIS CA . 16711 1
104 . 1 1 9 9 HIS CB C 13 26.616 0.16 . 1 . . . . 9 HIS CB . 16711 1
105 . 1 1 9 9 HIS CD2 C 13 118.953 0.16 . 1 . . . . 9 HIS CD2 . 16711 1
106 . 1 1 9 9 HIS CE1 C 13 135.486 0.16 . 1 . . . . 9 HIS CE1 . 16711 1
107 . 1 1 9 9 HIS N N 15 111.025 0.12 . 1 . . . . 9 HIS N . 16711 1
108 . 1 1 10 10 HIS H H 1 7.760 0.006 . 1 . . . . 10 HIS H . 16711 1
109 . 1 1 10 10 HIS HA H 1 5.575 0.006 . 1 . . . . 10 HIS HA . 16711 1
110 . 1 1 10 10 HIS HB2 H 1 3.265 0.006 . 2 . . . . 10 HIS HB2 . 16711 1
111 . 1 1 10 10 HIS HB3 H 1 2.445 0.006 . 2 . . . . 10 HIS HB3 . 16711 1
112 . 1 1 10 10 HIS HD2 H 1 6.874 0.006 . 1 . . . . 10 HIS HD2 . 16711 1
113 . 1 1 10 10 HIS HE1 H 1 8.312 0.006 . 1 . . . . 10 HIS HE1 . 16711 1
114 . 1 1 10 10 HIS CA C 13 54.790 0.16 . 1 . . . . 10 HIS CA . 16711 1
115 . 1 1 10 10 HIS CB C 13 32.748 0.16 . 1 . . . . 10 HIS CB . 16711 1
116 . 1 1 10 10 HIS CD2 C 13 120.677 0.16 . 1 . . . . 10 HIS CD2 . 16711 1
117 . 1 1 10 10 HIS CE1 C 13 136.043 0.16 . 1 . . . . 10 HIS CE1 . 16711 1
118 . 1 1 10 10 HIS N N 15 114.450 0.12 . 1 . . . . 10 HIS N . 16711 1
119 . 1 1 11 11 ARG H H 1 8.358 0.006 . 1 . . . . 11 ARG H . 16711 1
120 . 1 1 11 11 ARG HA H 1 4.889 0.006 . 1 . . . . 11 ARG HA . 16711 1
121 . 1 1 11 11 ARG HB2 H 1 1.573 0.006 . 2 . . . . 11 ARG QB . 16711 1
122 . 1 1 11 11 ARG HB3 H 1 1.573 0.006 . 2 . . . . 11 ARG QB . 16711 1
123 . 1 1 11 11 ARG HD2 H 1 3.054 0.006 . 2 . . . . 11 ARG QD . 16711 1
124 . 1 1 11 11 ARG HD3 H 1 3.054 0.006 . 2 . . . . 11 ARG QD . 16711 1
125 . 1 1 11 11 ARG HE H 1 7.358 0.006 . 1 . . . . 11 ARG HE . 16711 1
126 . 1 1 11 11 ARG HG2 H 1 1.385 0.006 . 2 . . . . 11 ARG HG2 . 16711 1
127 . 1 1 11 11 ARG HG3 H 1 1.120 0.006 . 2 . . . . 11 ARG HG3 . 16711 1
128 . 1 1 11 11 ARG HH11 H 1 6.340 0.006 . 2 . . . . 11 ARG HH1 . 16711 1
129 . 1 1 11 11 ARG HH12 H 1 6.340 0.006 . 2 . . . . 11 ARG HH1 . 16711 1
130 . 1 1 11 11 ARG HH21 H 1 7.040 0.006 . 2 . . . . 11 ARG HH2 . 16711 1
131 . 1 1 11 11 ARG HH22 H 1 7.040 0.006 . 2 . . . . 11 ARG HH2 . 16711 1
132 . 1 1 11 11 ARG CA C 13 54.588 0.16 . 1 . . . . 11 ARG CA . 16711 1
133 . 1 1 11 11 ARG CB C 13 33.859 0.16 . 1 . . . . 11 ARG CB . 16711 1
134 . 1 1 11 11 ARG CD C 13 43.851 0.16 . 1 . . . . 11 ARG CD . 16711 1
135 . 1 1 11 11 ARG CG C 13 29.444 0.16 . 1 . . . . 11 ARG CG . 16711 1
136 . 1 1 11 11 ARG N N 15 122.786 0.12 . 1 . . . . 11 ARG N . 16711 1
137 . 1 1 11 11 ARG NE N 15 85.548 0.12 . 1 . . . . 11 ARG NE . 16711 1
138 . 1 1 11 11 ARG NH1 N 15 70.046 0.12 . 2 . . . . 11 ARG NH1 . 16711 1
139 . 1 1 11 11 ARG NH2 N 15 71.562 0.12 . 2 . . . . 11 ARG NH2 . 16711 1
140 . 1 1 12 12 PHE H H 1 9.301 0.006 . 1 . . . . 12 PHE H . 16711 1
141 . 1 1 12 12 PHE HA H 1 5.249 0.006 . 1 . . . . 12 PHE HA . 16711 1
142 . 1 1 12 12 PHE HB2 H 1 2.851 0.006 . 2 . . . . 12 PHE HB2 . 16711 1
143 . 1 1 12 12 PHE HB3 H 1 2.693 0.006 . 2 . . . . 12 PHE HB3 . 16711 1
144 . 1 1 12 12 PHE HD1 H 1 6.932 0.006 . 3 . . . . 12 PHE QD . 16711 1
145 . 1 1 12 12 PHE HD2 H 1 6.932 0.006 . 3 . . . . 12 PHE QD . 16711 1
146 . 1 1 12 12 PHE HE1 H 1 6.952 0.006 . 3 . . . . 12 PHE QE . 16711 1
147 . 1 1 12 12 PHE HE2 H 1 6.952 0.006 . 3 . . . . 12 PHE QE . 16711 1
148 . 1 1 12 12 PHE HZ H 1 7.140 0.006 . 1 . . . . 12 PHE HZ . 16711 1
149 . 1 1 12 12 PHE CA C 13 56.087 0.16 . 1 . . . . 12 PHE CA . 16711 1
150 . 1 1 12 12 PHE CB C 13 42.425 0.16 . 1 . . . . 12 PHE CB . 16711 1
151 . 1 1 12 12 PHE CD1 C 13 131.558 0.16 . 3 . . . . 12 PHE CD1 . 16711 1
152 . 1 1 12 12 PHE CE1 C 13 128.290 0.16 . 3 . . . . 12 PHE CE1 . 16711 1
153 . 1 1 12 12 PHE CZ C 13 131.040 0.16 . 1 . . . . 12 PHE CZ . 16711 1
154 . 1 1 12 12 PHE N N 15 122.451 0.12 . 1 . . . . 12 PHE N . 16711 1
155 . 1 1 13 13 VAL H H 1 9.332 0.006 . 1 . . . . 13 VAL H . 16711 1
156 . 1 1 13 13 VAL HA H 1 5.030 0.006 . 1 . . . . 13 VAL HA . 16711 1
157 . 1 1 13 13 VAL HB H 1 1.957 0.006 . 1 . . . . 13 VAL HB . 16711 1
158 . 1 1 13 13 VAL HG11 H 1 0.982 0.006 . 1 . . . . 13 VAL QG1 . 16711 1
159 . 1 1 13 13 VAL HG12 H 1 0.982 0.006 . 1 . . . . 13 VAL QG1 . 16711 1
160 . 1 1 13 13 VAL HG13 H 1 0.982 0.006 . 1 . . . . 13 VAL QG1 . 16711 1
161 . 1 1 13 13 VAL HG21 H 1 0.958 0.006 . 1 . . . . 13 VAL QG2 . 16711 1
162 . 1 1 13 13 VAL HG22 H 1 0.958 0.006 . 1 . . . . 13 VAL QG2 . 16711 1
163 . 1 1 13 13 VAL HG23 H 1 0.958 0.006 . 1 . . . . 13 VAL QG2 . 16711 1
164 . 1 1 13 13 VAL CA C 13 60.768 0.16 . 1 . . . . 13 VAL CA . 16711 1
165 . 1 1 13 13 VAL CB C 13 35.152 0.16 . 1 . . . . 13 VAL CB . 16711 1
166 . 1 1 13 13 VAL CG1 C 13 21.815 0.16 . 2 . . . . 13 VAL CG1 . 16711 1
167 . 1 1 13 13 VAL CG2 C 13 21.296 0.16 . 2 . . . . 13 VAL CG2 . 16711 1
168 . 1 1 13 13 VAL N N 15 118.656 0.12 . 1 . . . . 13 VAL N . 16711 1
169 . 1 1 14 14 LEU H H 1 8.564 0.006 . 1 . . . . 14 LEU H . 16711 1
170 . 1 1 14 14 LEU HA H 1 3.451 0.006 . 1 . . . . 14 LEU HA . 16711 1
171 . 1 1 14 14 LEU HB2 H 1 0.829 0.006 . 2 . . . . 14 LEU HB2 . 16711 1
172 . 1 1 14 14 LEU HB3 H 1 1.569 0.006 . 2 . . . . 14 LEU HB3 . 16711 1
173 . 1 1 14 14 LEU HD11 H 1 0.072 0.006 . 1 . . . . 14 LEU QD1 . 16711 1
174 . 1 1 14 14 LEU HD12 H 1 0.072 0.006 . 1 . . . . 14 LEU QD1 . 16711 1
175 . 1 1 14 14 LEU HD13 H 1 0.072 0.006 . 1 . . . . 14 LEU QD1 . 16711 1
176 . 1 1 14 14 LEU HD21 H 1 0.562 0.006 . 1 . . . . 14 LEU QD2 . 16711 1
177 . 1 1 14 14 LEU HD22 H 1 0.562 0.006 . 1 . . . . 14 LEU QD2 . 16711 1
178 . 1 1 14 14 LEU HD23 H 1 0.562 0.006 . 1 . . . . 14 LEU QD2 . 16711 1
179 . 1 1 14 14 LEU HG H 1 1.044 0.006 . 1 . . . . 14 LEU HG . 16711 1
180 . 1 1 14 14 LEU CA C 13 57.026 0.16 . 1 . . . . 14 LEU CA . 16711 1
181 . 1 1 14 14 LEU CB C 13 43.765 0.16 . 1 . . . . 14 LEU CB . 16711 1
182 . 1 1 14 14 LEU CD1 C 13 22.183 0.16 . 2 . . . . 14 LEU CD1 . 16711 1
183 . 1 1 14 14 LEU CD2 C 13 28.161 0.16 . 2 . . . . 14 LEU CD2 . 16711 1
184 . 1 1 14 14 LEU CG C 13 26.733 0.16 . 1 . . . . 14 LEU CG . 16711 1
185 . 1 1 14 14 LEU N N 15 129.265 0.12 . 1 . . . . 14 LEU N . 16711 1
186 . 1 1 15 15 GLU H H 1 9.405 0.006 . 1 . . . . 15 GLU H . 16711 1
187 . 1 1 15 15 GLU HA H 1 4.558 0.006 . 1 . . . . 15 GLU HA . 16711 1
188 . 1 1 15 15 GLU HB2 H 1 1.813 0.006 . 2 . . . . 15 GLU HB2 . 16711 1
189 . 1 1 15 15 GLU HB3 H 1 1.869 0.006 . 2 . . . . 15 GLU HB3 . 16711 1
190 . 1 1 15 15 GLU HG2 H 1 2.183 0.006 . 2 . . . . 15 GLU HG2 . 16711 1
191 . 1 1 15 15 GLU HG3 H 1 2.029 0.006 . 2 . . . . 15 GLU HG3 . 16711 1
192 . 1 1 15 15 GLU CA C 13 57.483 0.16 . 1 . . . . 15 GLU CA . 16711 1
193 . 1 1 15 15 GLU CB C 13 33.436 0.16 . 1 . . . . 15 GLU CB . 16711 1
194 . 1 1 15 15 GLU CG C 13 37.171 0.16 . 1 . . . . 15 GLU CG . 16711 1
195 . 1 1 15 15 GLU N N 15 125.495 0.12 . 1 . . . . 15 GLU N . 16711 1
196 . 1 1 16 16 SER H H 1 8.051 0.006 . 1 . . . . 16 SER H . 16711 1
197 . 1 1 16 16 SER HA H 1 4.975 0.006 . 1 . . . . 16 SER HA . 16711 1
198 . 1 1 16 16 SER HB2 H 1 3.522 0.006 . 2 . . . . 16 SER HB2 . 16711 1
199 . 1 1 16 16 SER HB3 H 1 3.269 0.006 . 2 . . . . 16 SER HB3 . 16711 1
200 . 1 1 16 16 SER CA C 13 57.904 0.16 . 1 . . . . 16 SER CA . 16711 1
201 . 1 1 16 16 SER CB C 13 66.379 0.16 . 1 . . . . 16 SER CB . 16711 1
202 . 1 1 16 16 SER N N 15 112.253 0.12 . 1 . . . . 16 SER N . 16711 1
203 . 1 1 17 17 VAL H H 1 8.628 0.006 . 1 . . . . 17 VAL H . 16711 1
204 . 1 1 17 17 VAL HA H 1 4.626 0.006 . 1 . . . . 17 VAL HA . 16711 1
205 . 1 1 17 17 VAL HB H 1 1.801 0.006 . 1 . . . . 17 VAL HB . 16711 1
206 . 1 1 17 17 VAL HG11 H 1 0.861 0.006 . 1 . . . . 17 VAL QG1 . 16711 1
207 . 1 1 17 17 VAL HG12 H 1 0.861 0.006 . 1 . . . . 17 VAL QG1 . 16711 1
208 . 1 1 17 17 VAL HG13 H 1 0.861 0.006 . 1 . . . . 17 VAL QG1 . 16711 1
209 . 1 1 17 17 VAL HG21 H 1 0.817 0.006 . 1 . . . . 17 VAL QG2 . 16711 1
210 . 1 1 17 17 VAL HG22 H 1 0.817 0.006 . 1 . . . . 17 VAL QG2 . 16711 1
211 . 1 1 17 17 VAL HG23 H 1 0.817 0.006 . 1 . . . . 17 VAL QG2 . 16711 1
212 . 1 1 17 17 VAL CA C 13 60.341 0.16 . 1 . . . . 17 VAL CA . 16711 1
213 . 1 1 17 17 VAL CB C 13 34.230 0.16 . 1 . . . . 17 VAL CB . 16711 1
214 . 1 1 17 17 VAL CG1 C 13 20.124 0.16 . 2 . . . . 17 VAL CG1 . 16711 1
215 . 1 1 17 17 VAL CG2 C 13 22.040 0.16 . 2 . . . . 17 VAL CG2 . 16711 1
216 . 1 1 17 17 VAL N N 15 119.501 0.12 . 1 . . . . 17 VAL N . 16711 1
217 . 1 1 18 18 ASN H H 1 9.679 0.006 . 1 . . . . 18 ASN H . 16711 1
218 . 1 1 18 18 ASN HA H 1 4.347 0.006 . 1 . . . . 18 ASN HA . 16711 1
219 . 1 1 18 18 ASN HB2 H 1 2.957 0.006 . 2 . . . . 18 ASN HB2 . 16711 1
220 . 1 1 18 18 ASN HB3 H 1 2.847 0.006 . 2 . . . . 18 ASN HB3 . 16711 1
221 . 1 1 18 18 ASN HD21 H 1 7.630 0.006 . 2 . . . . 18 ASN HD21 . 16711 1
222 . 1 1 18 18 ASN HD22 H 1 6.883 0.006 . 2 . . . . 18 ASN HD22 . 16711 1
223 . 1 1 18 18 ASN CA C 13 55.145 0.16 . 1 . . . . 18 ASN CA . 16711 1
224 . 1 1 18 18 ASN CB C 13 37.639 0.16 . 1 . . . . 18 ASN CB . 16711 1
225 . 1 1 18 18 ASN N N 15 127.695 0.12 . 1 . . . . 18 ASN N . 16711 1
226 . 1 1 18 18 ASN ND2 N 15 114.055 0.12 . 1 . . . . 18 ASN ND2 . 16711 1
227 . 1 1 19 19 GLY H H 1 8.519 0.006 . 1 . . . . 19 GLY H . 16711 1
228 . 1 1 19 19 GLY HA2 H 1 4.084 0.006 . 2 . . . . 19 GLY HA2 . 16711 1
229 . 1 1 19 19 GLY HA3 H 1 3.507 0.006 . 2 . . . . 19 GLY HA3 . 16711 1
230 . 1 1 19 19 GLY CA C 13 45.591 0.16 . 1 . . . . 19 GLY CA . 16711 1
231 . 1 1 19 19 GLY N N 15 102.001 0.12 . 1 . . . . 19 GLY N . 16711 1
232 . 1 1 20 20 LYS H H 1 7.906 0.006 . 1 . . . . 20 LYS H . 16711 1
233 . 1 1 20 20 LYS HA H 1 4.835 0.006 . 1 . . . . 20 LYS HA . 16711 1
234 . 1 1 20 20 LYS HB2 H 1 1.813 0.006 . 2 . . . . 20 LYS HB2 . 16711 1
235 . 1 1 20 20 LYS HD2 H 1 1.661 0.006 . 2 . . . . 20 LYS QD . 16711 1
236 . 1 1 20 20 LYS HD3 H 1 1.661 0.006 . 2 . . . . 20 LYS QD . 16711 1
237 . 1 1 20 20 LYS HE2 H 1 2.901 0.006 . 2 . . . . 20 LYS HE2 . 16711 1
238 . 1 1 20 20 LYS HG2 H 1 1.372 0.006 . 2 . . . . 20 LYS HG2 . 16711 1
239 . 1 1 20 20 LYS HG3 H 1 1.437 0.006 . 2 . . . . 20 LYS HG3 . 16711 1
240 . 1 1 20 20 LYS CA C 13 53.100 0.16 . 1 . . . . 20 LYS CA . 16711 1
241 . 1 1 20 20 LYS CB C 13 33.484 0.16 . 1 . . . . 20 LYS CB . 16711 1
242 . 1 1 20 20 LYS CD C 13 29.235 0.16 . 1 . . . . 20 LYS CD . 16711 1
243 . 1 1 20 20 LYS CE C 13 42.420 0.16 . 1 . . . . 20 LYS CE . 16711 1
244 . 1 1 20 20 LYS CG C 13 24.931 0.16 . 1 . . . . 20 LYS CG . 16711 1
245 . 1 1 20 20 LYS N N 15 122.187 0.12 . 1 . . . . 20 LYS N . 16711 1
246 . 1 1 21 21 PRO HA H 1 4.564 0.006 . 1 . . . . 21 PRO HA . 16711 1
247 . 1 1 21 21 PRO HB2 H 1 2.287 0.006 . 2 . . . . 21 PRO HB2 . 16711 1
248 . 1 1 21 21 PRO HB3 H 1 1.781 0.006 . 2 . . . . 21 PRO HB3 . 16711 1
249 . 1 1 21 21 PRO HD2 H 1 3.852 0.006 . 2 . . . . 21 PRO HD2 . 16711 1
250 . 1 1 21 21 PRO HD3 H 1 3.607 0.006 . 2 . . . . 21 PRO HD3 . 16711 1
251 . 1 1 21 21 PRO HG2 H 1 1.979 0.006 . 2 . . . . 21 PRO HG2 . 16711 1
252 . 1 1 21 21 PRO HG3 H 1 1.940 0.006 . 2 . . . . 21 PRO HG3 . 16711 1
253 . 1 1 21 21 PRO CA C 13 62.991 0.16 . 1 . . . . 21 PRO CA . 16711 1
254 . 1 1 21 21 PRO CB C 13 32.830 0.16 . 1 . . . . 21 PRO CB . 16711 1
255 . 1 1 21 21 PRO CD C 13 51.155 0.16 . 1 . . . . 21 PRO CD . 16711 1
256 . 1 1 21 21 PRO CG C 13 27.719 0.16 . 1 . . . . 21 PRO CG . 16711 1
257 . 1 1 22 22 VAL H H 1 7.757 0.006 . 1 . . . . 22 VAL H . 16711 1
258 . 1 1 22 22 VAL HA H 1 4.202 0.006 . 1 . . . . 22 VAL HA . 16711 1
259 . 1 1 22 22 VAL HB H 1 1.685 0.006 . 1 . . . . 22 VAL HB . 16711 1
260 . 1 1 22 22 VAL HG11 H 1 0.657 0.006 . 1 . . . . 22 VAL QG1 . 16711 1
261 . 1 1 22 22 VAL HG12 H 1 0.657 0.006 . 1 . . . . 22 VAL QG1 . 16711 1
262 . 1 1 22 22 VAL HG13 H 1 0.657 0.006 . 1 . . . . 22 VAL QG1 . 16711 1
263 . 1 1 22 22 VAL HG21 H 1 0.665 0.006 . 1 . . . . 22 VAL QG2 . 16711 1
264 . 1 1 22 22 VAL HG22 H 1 0.665 0.006 . 1 . . . . 22 VAL QG2 . 16711 1
265 . 1 1 22 22 VAL HG23 H 1 0.665 0.006 . 1 . . . . 22 VAL QG2 . 16711 1
266 . 1 1 22 22 VAL CA C 13 61.459 0.16 . 1 . . . . 22 VAL CA . 16711 1
267 . 1 1 22 22 VAL CB C 13 33.518 0.16 . 1 . . . . 22 VAL CB . 16711 1
268 . 1 1 22 22 VAL CG1 C 13 21.126 0.16 . 2 . . . . 22 VAL CG1 . 16711 1
269 . 1 1 22 22 VAL CG2 C 13 21.340 0.16 . 2 . . . . 22 VAL CG2 . 16711 1
270 . 1 1 22 22 VAL N N 15 120.929 0.12 . 1 . . . . 22 VAL N . 16711 1
271 . 1 1 23 23 THR H H 1 8.453 0.006 . 1 . . . . 23 THR H . 16711 1
272 . 1 1 23 23 THR HA H 1 4.308 0.006 . 1 . . . . 23 THR HA . 16711 1
273 . 1 1 23 23 THR HB H 1 4.097 0.006 . 1 . . . . 23 THR HB . 16711 1
274 . 1 1 23 23 THR HG21 H 1 1.124 0.006 . 1 . . . . 23 THR QG2 . 16711 1
275 . 1 1 23 23 THR HG22 H 1 1.124 0.006 . 1 . . . . 23 THR QG2 . 16711 1
276 . 1 1 23 23 THR HG23 H 1 1.124 0.006 . 1 . . . . 23 THR QG2 . 16711 1
277 . 1 1 23 23 THR CA C 13 62.160 0.16 . 1 . . . . 23 THR CA . 16711 1
278 . 1 1 23 23 THR CB C 13 69.831 0.16 . 1 . . . . 23 THR CB . 16711 1
279 . 1 1 23 23 THR CG2 C 13 21.802 0.16 . 1 . . . . 23 THR CG2 . 16711 1
280 . 1 1 23 23 THR N N 15 120.920 0.12 . 1 . . . . 23 THR N . 16711 1
281 . 1 1 24 24 SER H H 1 8.225 0.006 . 1 . . . . 24 SER H . 16711 1
282 . 1 1 24 24 SER HA H 1 4.470 0.006 . 1 . . . . 24 SER HA . 16711 1
283 . 1 1 24 24 SER HB2 H 1 3.660 0.006 . 2 . . . . 24 SER HB2 . 16711 1
284 . 1 1 24 24 SER HB3 H 1 3.723 0.006 . 2 . . . . 24 SER HB3 . 16711 1
285 . 1 1 24 24 SER CA C 13 58.021 0.16 . 1 . . . . 24 SER CA . 16711 1
286 . 1 1 24 24 SER CB C 13 64.587 0.16 . 1 . . . . 24 SER CB . 16711 1
287 . 1 1 24 24 SER N N 15 118.333 0.12 . 1 . . . . 24 SER N . 16711 1
288 . 1 1 25 25 ASP H H 1 8.385 0.006 . 1 . . . . 25 ASP H . 16711 1
289 . 1 1 25 25 ASP HA H 1 4.546 0.006 . 1 . . . . 25 ASP HA . 16711 1
290 . 1 1 25 25 ASP HB2 H 1 2.616 0.006 . 2 . . . . 25 ASP QB . 16711 1
291 . 1 1 25 25 ASP HB3 H 1 2.616 0.006 . 2 . . . . 25 ASP QB . 16711 1
292 . 1 1 25 25 ASP CA C 13 54.671 0.16 . 1 . . . . 25 ASP CA . 16711 1
293 . 1 1 25 25 ASP CB C 13 41.985 0.16 . 1 . . . . 25 ASP CB . 16711 1
294 . 1 1 25 25 ASP N N 15 123.206 0.12 . 1 . . . . 25 ASP N . 16711 1
295 . 1 1 26 26 LYS H H 1 8.050 0.006 . 1 . . . . 26 LYS H . 16711 1
296 . 1 1 26 26 LYS HA H 1 4.200 0.006 . 1 . . . . 26 LYS HA . 16711 1
297 . 1 1 26 26 LYS HB2 H 1 1.695 0.006 . 2 . . . . 26 LYS HB2 . 16711 1
298 . 1 1 26 26 LYS HB3 H 1 1.759 0.006 . 2 . . . . 26 LYS HB3 . 16711 1
299 . 1 1 26 26 LYS HD3 H 1 1.597 0.006 . 2 . . . . 26 LYS HD3 . 16711 1
300 . 1 1 26 26 LYS HE2 H 1 2.923 0.006 . 2 . . . . 26 LYS QE . 16711 1
301 . 1 1 26 26 LYS HE3 H 1 2.923 0.006 . 2 . . . . 26 LYS QE . 16711 1
302 . 1 1 26 26 LYS HG2 H 1 1.338 0.006 . 2 . . . . 26 LYS QG . 16711 1
303 . 1 1 26 26 LYS HG3 H 1 1.338 0.006 . 2 . . . . 26 LYS QG . 16711 1
304 . 1 1 26 26 LYS CA C 13 56.853 0.16 . 1 . . . . 26 LYS CA . 16711 1
305 . 1 1 26 26 LYS CB C 13 33.403 0.16 . 1 . . . . 26 LYS CB . 16711 1
306 . 1 1 26 26 LYS CD C 13 29.247 0.16 . 1 . . . . 26 LYS CD . 16711 1
307 . 1 1 26 26 LYS CE C 13 42.510 0.16 . 1 . . . . 26 LYS CE . 16711 1
308 . 1 1 26 26 LYS CG C 13 24.889 0.16 . 1 . . . . 26 LYS CG . 16711 1
309 . 1 1 26 26 LYS N N 15 119.320 0.12 . 1 . . . . 26 LYS N . 16711 1
310 . 1 1 27 27 ASN H H 1 8.505 0.006 . 1 . . . . 27 ASN H . 16711 1
311 . 1 1 27 27 ASN HA H 1 4.788 0.006 . 1 . . . . 27 ASN HA . 16711 1
312 . 1 1 27 27 ASN HB2 H 1 2.629 0.006 . 2 . . . . 27 ASN HB2 . 16711 1
313 . 1 1 27 27 ASN HB3 H 1 2.671 0.006 . 2 . . . . 27 ASN HB3 . 16711 1
314 . 1 1 27 27 ASN HD21 H 1 7.601 0.006 . 2 . . . . 27 ASN HD21 . 16711 1
315 . 1 1 27 27 ASN HD22 H 1 6.787 0.006 . 2 . . . . 27 ASN HD22 . 16711 1
316 . 1 1 27 27 ASN CA C 13 52.233 0.16 . 1 . . . . 27 ASN CA . 16711 1
317 . 1 1 27 27 ASN CB C 13 38.902 0.16 . 1 . . . . 27 ASN CB . 16711 1
318 . 1 1 27 27 ASN N N 15 117.631 0.12 . 1 . . . . 27 ASN N . 16711 1
319 . 1 1 27 27 ASN ND2 N 15 113.528 0.12 . 1 . . . . 27 ASN ND2 . 16711 1
320 . 1 1 28 28 PRO HA H 1 4.610 0.006 . 1 . . . . 28 PRO HA . 16711 1
321 . 1 1 28 28 PRO HB2 H 1 1.980 0.006 . 2 . . . . 28 PRO HB2 . 16711 1
322 . 1 1 28 28 PRO HB3 H 1 2.251 0.006 . 2 . . . . 28 PRO HB3 . 16711 1
323 . 1 1 28 28 PRO HD3 H 1 3.571 0.006 . 2 . . . . 28 PRO HD3 . 16711 1
324 . 1 1 28 28 PRO HG2 H 1 1.960 0.006 . 2 . . . . 28 PRO QG . 16711 1
325 . 1 1 28 28 PRO HG3 H 1 1.960 0.006 . 2 . . . . 28 PRO QG . 16711 1
326 . 1 1 28 28 PRO CA C 13 61.981 0.16 . 1 . . . . 28 PRO CA . 16711 1
327 . 1 1 28 28 PRO CB C 13 31.457 0.16 . 1 . . . . 28 PRO CB . 16711 1
328 . 1 1 28 28 PRO CD C 13 50.944 0.16 . 1 . . . . 28 PRO CD . 16711 1
329 . 1 1 28 28 PRO CG C 13 27.736 0.16 . 1 . . . . 28 PRO CG . 16711 1
330 . 1 1 29 29 PRO HA H 1 4.390 0.006 . 1 . . . . 29 PRO HA . 16711 1
331 . 1 1 29 29 PRO HB2 H 1 1.870 0.006 . 2 . . . . 29 PRO HB2 . 16711 1
332 . 1 1 29 29 PRO HB3 H 1 3.199 0.006 . 2 . . . . 29 PRO HB3 . 16711 1
333 . 1 1 29 29 PRO HD2 H 1 3.907 0.006 . 2 . . . . 29 PRO HD2 . 16711 1
334 . 1 1 29 29 PRO HD3 H 1 3.455 0.006 . 2 . . . . 29 PRO HD3 . 16711 1
335 . 1 1 29 29 PRO HG2 H 1 1.725 0.006 . 2 . . . . 29 PRO HG2 . 16711 1
336 . 1 1 29 29 PRO HG3 H 1 1.812 0.006 . 2 . . . . 29 PRO HG3 . 16711 1
337 . 1 1 29 29 PRO CA C 13 63.978 0.16 . 1 . . . . 29 PRO CA . 16711 1
338 . 1 1 29 29 PRO CB C 13 33.168 0.16 . 1 . . . . 29 PRO CB . 16711 1
339 . 1 1 29 29 PRO CD C 13 50.941 0.16 . 1 . . . . 29 PRO CD . 16711 1
340 . 1 1 29 29 PRO CG C 13 28.283 0.16 . 1 . . . . 29 PRO CG . 16711 1
341 . 1 1 30 30 GLU H H 1 8.023 0.006 . 1 . . . . 30 GLU H . 16711 1
342 . 1 1 30 30 GLU HA H 1 5.780 0.006 . 1 . . . . 30 GLU HA . 16711 1
343 . 1 1 30 30 GLU HB2 H 1 2.161 0.006 . 2 . . . . 30 GLU HB2 . 16711 1
344 . 1 1 30 30 GLU HB3 H 1 1.947 0.006 . 2 . . . . 30 GLU HB3 . 16711 1
345 . 1 1 30 30 GLU HG2 H 1 2.301 0.006 . 2 . . . . 30 GLU HG2 . 16711 1
346 . 1 1 30 30 GLU HG3 H 1 2.058 0.006 . 2 . . . . 30 GLU HG3 . 16711 1
347 . 1 1 30 30 GLU CA C 13 54.796 0.16 . 1 . . . . 30 GLU CA . 16711 1
348 . 1 1 30 30 GLU CB C 13 34.970 0.16 . 1 . . . . 30 GLU CB . 16711 1
349 . 1 1 30 30 GLU CG C 13 35.035 0.16 . 1 . . . . 30 GLU CG . 16711 1
350 . 1 1 30 30 GLU N N 15 116.317 0.12 . 1 . . . . 30 GLU N . 16711 1
351 . 1 1 31 31 ILE H H 1 9.591 0.006 . 1 . . . . 31 ILE H . 16711 1
352 . 1 1 31 31 ILE HA H 1 4.818 0.006 . 1 . . . . 31 ILE HA . 16711 1
353 . 1 1 31 31 ILE HB H 1 1.450 0.006 . 1 . . . . 31 ILE HB . 16711 1
354 . 1 1 31 31 ILE HD11 H 1 0.552 0.006 . 1 . . . . 31 ILE QD1 . 16711 1
355 . 1 1 31 31 ILE HD12 H 1 0.552 0.006 . 1 . . . . 31 ILE QD1 . 16711 1
356 . 1 1 31 31 ILE HD13 H 1 0.552 0.006 . 1 . . . . 31 ILE QD1 . 16711 1
357 . 1 1 31 31 ILE HG12 H 1 1.386 0.006 . 2 . . . . 31 ILE HG12 . 16711 1
358 . 1 1 31 31 ILE HG13 H 1 0.435 0.006 . 2 . . . . 31 ILE HG13 . 16711 1
359 . 1 1 31 31 ILE HG21 H 1 -0.040 0.006 . 1 . . . . 31 ILE QG2 . 16711 1
360 . 1 1 31 31 ILE HG22 H 1 -0.040 0.006 . 1 . . . . 31 ILE QG2 . 16711 1
361 . 1 1 31 31 ILE HG23 H 1 -0.040 0.006 . 1 . . . . 31 ILE QG2 . 16711 1
362 . 1 1 31 31 ILE CA C 13 62.194 0.16 . 1 . . . . 31 ILE CA . 16711 1
363 . 1 1 31 31 ILE CB C 13 43.068 0.16 . 1 . . . . 31 ILE CB . 16711 1
364 . 1 1 31 31 ILE CD1 C 13 13.497 0.16 . 1 . . . . 31 ILE CD1 . 16711 1
365 . 1 1 31 31 ILE CG1 C 13 29.434 0.16 . 1 . . . . 31 ILE CG1 . 16711 1
366 . 1 1 31 31 ILE CG2 C 13 15.228 0.16 . 1 . . . . 31 ILE CG2 . 16711 1
367 . 1 1 31 31 ILE N N 15 124.758 0.12 . 1 . . . . 31 ILE N . 16711 1
368 . 1 1 32 32 SER H H 1 9.007 0.006 . 1 . . . . 32 SER H . 16711 1
369 . 1 1 32 32 SER HA H 1 5.299 0.006 . 1 . . . . 32 SER HA . 16711 1
370 . 1 1 32 32 SER HB2 H 1 3.567 0.006 . 2 . . . . 32 SER HB2 . 16711 1
371 . 1 1 32 32 SER HB3 H 1 3.622 0.006 . 2 . . . . 32 SER HB3 . 16711 1
372 . 1 1 32 32 SER CA C 13 57.471 0.16 . 1 . . . . 32 SER CA . 16711 1
373 . 1 1 32 32 SER CB C 13 66.361 0.16 . 1 . . . . 32 SER CB . 16711 1
374 . 1 1 32 32 SER N N 15 120.864 0.12 . 1 . . . . 32 SER N . 16711 1
375 . 1 1 33 33 PHE H H 1 7.800 0.006 . 1 . . . . 33 PHE H . 16711 1
376 . 1 1 33 33 PHE HA H 1 5.242 0.006 . 1 . . . . 33 PHE HA . 16711 1
377 . 1 1 33 33 PHE HB2 H 1 3.238 0.006 . 2 . . . . 33 PHE HB2 . 16711 1
378 . 1 1 33 33 PHE HB3 H 1 2.708 0.006 . 2 . . . . 33 PHE HB3 . 16711 1
379 . 1 1 33 33 PHE HD1 H 1 7.143 0.006 . 3 . . . . 33 PHE QD . 16711 1
380 . 1 1 33 33 PHE HD2 H 1 7.143 0.006 . 3 . . . . 33 PHE QD . 16711 1
381 . 1 1 33 33 PHE HE1 H 1 6.791 0.006 . 3 . . . . 33 PHE QE . 16711 1
382 . 1 1 33 33 PHE HE2 H 1 6.791 0.006 . 3 . . . . 33 PHE QE . 16711 1
383 . 1 1 33 33 PHE HZ H 1 6.542 0.006 . 1 . . . . 33 PHE HZ . 16711 1
384 . 1 1 33 33 PHE CA C 13 56.063 0.16 . 1 . . . . 33 PHE CA . 16711 1
385 . 1 1 33 33 PHE CB C 13 41.732 0.16 . 1 . . . . 33 PHE CB . 16711 1
386 . 1 1 33 33 PHE CD1 C 13 132.306 0.16 . 3 . . . . 33 PHE CD1 . 16711 1
387 . 1 1 33 33 PHE CE1 C 13 129.533 0.16 . 3 . . . . 33 PHE CE1 . 16711 1
388 . 1 1 33 33 PHE CZ C 13 126.738 0.16 . 1 . . . . 33 PHE CZ . 16711 1
389 . 1 1 33 33 PHE N N 15 117.991 0.12 . 1 . . . . 33 PHE N . 16711 1
390 . 1 1 34 34 GLY H H 1 9.487 0.006 . 1 . . . . 34 GLY H . 16711 1
391 . 1 1 34 34 GLY HA2 H 1 3.577 0.006 . 2 . . . . 34 GLY HA2 . 16711 1
392 . 1 1 34 34 GLY HA3 H 1 4.373 0.006 . 2 . . . . 34 GLY HA3 . 16711 1
393 . 1 1 34 34 GLY CA C 13 43.157 0.16 . 1 . . . . 34 GLY CA . 16711 1
394 . 1 1 34 34 GLY N N 15 115.011 0.12 . 1 . . . . 34 GLY N . 16711 1
395 . 1 1 35 35 GLU H H 1 8.239 0.006 . 1 . . . . 35 GLU H . 16711 1
396 . 1 1 35 35 GLU HA H 1 3.818 0.006 . 1 . . . . 35 GLU HA . 16711 1
397 . 1 1 35 35 GLU HB2 H 1 1.941 0.006 . 2 . . . . 35 GLU QB . 16711 1
398 . 1 1 35 35 GLU HB3 H 1 1.941 0.006 . 2 . . . . 35 GLU QB . 16711 1
399 . 1 1 35 35 GLU HG2 H 1 2.315 0.006 . 2 . . . . 35 GLU QG . 16711 1
400 . 1 1 35 35 GLU HG3 H 1 2.315 0.006 . 2 . . . . 35 GLU QG . 16711 1
401 . 1 1 35 35 GLU CA C 13 57.577 0.16 . 1 . . . . 35 GLU CA . 16711 1
402 . 1 1 35 35 GLU CB C 13 30.267 0.16 . 1 . . . . 35 GLU CB . 16711 1
403 . 1 1 35 35 GLU CG C 13 36.680 0.16 . 1 . . . . 35 GLU CG . 16711 1
404 . 1 1 35 35 GLU N N 15 117.502 0.12 . 1 . . . . 35 GLU N . 16711 1
405 . 1 1 36 36 LYS H H 1 8.780 0.006 . 1 . . . . 36 LYS H . 16711 1
406 . 1 1 36 36 LYS HA H 1 3.814 0.006 . 1 . . . . 36 LYS HA . 16711 1
407 . 1 1 36 36 LYS HB2 H 1 1.854 0.006 . 2 . . . . 36 LYS HB2 . 16711 1
408 . 1 1 36 36 LYS HB3 H 1 2.029 0.006 . 2 . . . . 36 LYS HB3 . 16711 1
409 . 1 1 36 36 LYS HD2 H 1 1.670 0.006 . 2 . . . . 36 LYS QD . 16711 1
410 . 1 1 36 36 LYS HD3 H 1 1.670 0.006 . 2 . . . . 36 LYS QD . 16711 1
411 . 1 1 36 36 LYS HE2 H 1 2.954 0.006 . 2 . . . . 36 LYS HE2 . 16711 1
412 . 1 1 36 36 LYS HE3 H 1 2.908 0.006 . 2 . . . . 36 LYS HE3 . 16711 1
413 . 1 1 36 36 LYS HG2 H 1 1.369 0.006 . 2 . . . . 36 LYS QG . 16711 1
414 . 1 1 36 36 LYS HG3 H 1 1.369 0.006 . 2 . . . . 36 LYS QG . 16711 1
415 . 1 1 36 36 LYS CA C 13 57.636 0.16 . 1 . . . . 36 LYS CA . 16711 1
416 . 1 1 36 36 LYS CB C 13 30.382 0.16 . 1 . . . . 36 LYS CB . 16711 1
417 . 1 1 36 36 LYS CD C 13 29.654 0.16 . 1 . . . . 36 LYS CD . 16711 1
418 . 1 1 36 36 LYS CE C 13 42.605 0.16 . 1 . . . . 36 LYS CE . 16711 1
419 . 1 1 36 36 LYS CG C 13 26.082 0.16 . 1 . . . . 36 LYS CG . 16711 1
420 . 1 1 36 36 LYS N N 15 119.552 0.12 . 1 . . . . 36 LYS N . 16711 1
421 . 1 1 37 37 MET H H 1 8.284 0.006 . 1 . . . . 37 MET H . 16711 1
422 . 1 1 37 37 MET HA H 1 4.132 0.006 . 1 . . . . 37 MET HA . 16711 1
423 . 1 1 37 37 MET HB2 H 1 2.461 0.006 . 2 . . . . 37 MET QB . 16711 1
424 . 1 1 37 37 MET HB3 H 1 2.461 0.006 . 2 . . . . 37 MET QB . 16711 1
425 . 1 1 37 37 MET HE1 H 1 1.649 0.006 . 1 . . . . 37 MET QE . 16711 1
426 . 1 1 37 37 MET HE2 H 1 1.649 0.006 . 1 . . . . 37 MET QE . 16711 1
427 . 1 1 37 37 MET HE3 H 1 1.649 0.006 . 1 . . . . 37 MET QE . 16711 1
428 . 1 1 37 37 MET HG2 H 1 2.601 0.006 . 2 . . . . 37 MET HG2 . 16711 1
429 . 1 1 37 37 MET HG3 H 1 2.541 0.006 . 2 . . . . 37 MET HG3 . 16711 1
430 . 1 1 37 37 MET CA C 13 54.523 0.16 . 1 . . . . 37 MET CA . 16711 1
431 . 1 1 37 37 MET CB C 13 27.640 0.16 . 1 . . . . 37 MET CB . 16711 1
432 . 1 1 37 37 MET CE C 13 16.605 0.16 . 1 . . . . 37 MET CE . 16711 1
433 . 1 1 37 37 MET CG C 13 33.544 0.16 . 1 . . . . 37 MET CG . 16711 1
434 . 1 1 37 37 MET N N 15 112.301 0.12 . 1 . . . . 37 MET N . 16711 1
435 . 1 1 38 38 MET H H 1 6.971 0.006 . 1 . . . . 38 MET H . 16711 1
436 . 1 1 38 38 MET HA H 1 4.635 0.006 . 1 . . . . 38 MET HA . 16711 1
437 . 1 1 38 38 MET HB2 H 1 1.956 0.006 . 2 . . . . 38 MET HB2 . 16711 1
438 . 1 1 38 38 MET HE1 H 1 2.018 0.006 . 1 . . . . 38 MET QE . 16711 1
439 . 1 1 38 38 MET HE2 H 1 2.018 0.006 . 1 . . . . 38 MET QE . 16711 1
440 . 1 1 38 38 MET HE3 H 1 2.018 0.006 . 1 . . . . 38 MET QE . 16711 1
441 . 1 1 38 38 MET HG2 H 1 2.692 0.006 . 2 . . . . 38 MET HG2 . 16711 1
442 . 1 1 38 38 MET HG3 H 1 2.553 0.006 . 2 . . . . 38 MET HG3 . 16711 1
443 . 1 1 38 38 MET CA C 13 56.356 0.16 . 1 . . . . 38 MET CA . 16711 1
444 . 1 1 38 38 MET CB C 13 31.517 0.16 . 1 . . . . 38 MET CB . 16711 1
445 . 1 1 38 38 MET CE C 13 16.973 0.16 . 1 . . . . 38 MET CE . 16711 1
446 . 1 1 38 38 MET CG C 13 32.691 0.16 . 1 . . . . 38 MET CG . 16711 1
447 . 1 1 38 38 MET N N 15 116.715 0.12 . 1 . . . . 38 MET N . 16711 1
448 . 1 1 39 39 ILE H H 1 9.075 0.006 . 1 . . . . 39 ILE H . 16711 1
449 . 1 1 39 39 ILE HA H 1 4.543 0.006 . 1 . . . . 39 ILE HA . 16711 1
450 . 1 1 39 39 ILE HB H 1 1.582 0.006 . 1 . . . . 39 ILE HB . 16711 1
451 . 1 1 39 39 ILE HD11 H 1 0.781 0.006 . 1 . . . . 39 ILE QD1 . 16711 1
452 . 1 1 39 39 ILE HD12 H 1 0.781 0.006 . 1 . . . . 39 ILE QD1 . 16711 1
453 . 1 1 39 39 ILE HD13 H 1 0.781 0.006 . 1 . . . . 39 ILE QD1 . 16711 1
454 . 1 1 39 39 ILE HG12 H 1 0.893 0.006 . 2 . . . . 39 ILE HG12 . 16711 1
455 . 1 1 39 39 ILE HG13 H 1 1.926 0.006 . 2 . . . . 39 ILE HG13 . 16711 1
456 . 1 1 39 39 ILE HG21 H 1 0.652 0.006 . 1 . . . . 39 ILE QG2 . 16711 1
457 . 1 1 39 39 ILE HG22 H 1 0.652 0.006 . 1 . . . . 39 ILE QG2 . 16711 1
458 . 1 1 39 39 ILE HG23 H 1 0.652 0.006 . 1 . . . . 39 ILE QG2 . 16711 1
459 . 1 1 39 39 ILE CA C 13 61.121 0.16 . 1 . . . . 39 ILE CA . 16711 1
460 . 1 1 39 39 ILE CB C 13 41.139 0.16 . 1 . . . . 39 ILE CB . 16711 1
461 . 1 1 39 39 ILE CD1 C 13 15.645 0.16 . 1 . . . . 39 ILE CD1 . 16711 1
462 . 1 1 39 39 ILE CG1 C 13 27.625 0.16 . 1 . . . . 39 ILE CG1 . 16711 1
463 . 1 1 39 39 ILE CG2 C 13 17.856 0.16 . 1 . . . . 39 ILE CG2 . 16711 1
464 . 1 1 39 39 ILE N N 15 128.462 0.12 . 1 . . . . 39 ILE N . 16711 1
465 . 1 1 40 40 SER H H 1 8.304 0.006 . 1 . . . . 40 SER H . 16711 1
466 . 1 1 40 40 SER HA H 1 4.974 0.006 . 1 . . . . 40 SER HA . 16711 1
467 . 1 1 40 40 SER HB2 H 1 3.626 0.006 . 2 . . . . 40 SER HB2 . 16711 1
468 . 1 1 40 40 SER HB3 H 1 3.583 0.006 . 2 . . . . 40 SER HB3 . 16711 1
469 . 1 1 40 40 SER CA C 13 57.080 0.16 . 1 . . . . 40 SER CA . 16711 1
470 . 1 1 40 40 SER CB C 13 66.039 0.16 . 1 . . . . 40 SER CB . 16711 1
471 . 1 1 40 40 SER N N 15 120.073 0.12 . 1 . . . . 40 SER N . 16711 1
472 . 1 1 41 41 GLY H H 1 7.398 0.006 . 1 . . . . 41 GLY H . 16711 1
473 . 1 1 41 41 GLY HA2 H 1 3.759 0.006 . 2 . . . . 41 GLY HA2 . 16711 1
474 . 1 1 41 41 GLY HA3 H 1 3.698 0.006 . 2 . . . . 41 GLY HA3 . 16711 1
475 . 1 1 41 41 GLY CA C 13 46.580 0.16 . 1 . . . . 41 GLY CA . 16711 1
476 . 1 1 41 41 GLY N N 15 107.645 0.12 . 1 . . . . 41 GLY N . 16711 1
477 . 1 1 42 42 SER H H 1 8.496 0.006 . 1 . . . . 42 SER H . 16711 1
478 . 1 1 42 42 SER HA H 1 5.294 0.006 . 1 . . . . 42 SER HA . 16711 1
479 . 1 1 42 42 SER HB2 H 1 3.607 0.006 . 2 . . . . 42 SER HB2 . 16711 1
480 . 1 1 42 42 SER HB3 H 1 3.445 0.006 . 2 . . . . 42 SER HB3 . 16711 1
481 . 1 1 42 42 SER CA C 13 57.744 0.16 . 1 . . . . 42 SER CA . 16711 1
482 . 1 1 42 42 SER CB C 13 65.449 0.16 . 1 . . . . 42 SER CB . 16711 1
483 . 1 1 42 42 SER N N 15 112.284 0.12 . 1 . . . . 42 SER N . 16711 1
484 . 1 1 43 43 MET H H 1 7.942 0.006 . 1 . . . . 43 MET H . 16711 1
485 . 1 1 43 43 MET HA H 1 4.441 0.006 . 1 . . . . 43 MET HA . 16711 1
486 . 1 1 43 43 MET HB2 H 1 3.237 0.006 . 2 . . . . 43 MET HB2 . 16711 1
487 . 1 1 43 43 MET HB3 H 1 1.875 0.006 . 2 . . . . 43 MET HB3 . 16711 1
488 . 1 1 43 43 MET HE1 H 1 2.024 0.006 . 1 . . . . 43 MET QE . 16711 1
489 . 1 1 43 43 MET HE2 H 1 2.024 0.006 . 1 . . . . 43 MET QE . 16711 1
490 . 1 1 43 43 MET HE3 H 1 2.024 0.006 . 1 . . . . 43 MET QE . 16711 1
491 . 1 1 43 43 MET HG2 H 1 2.977 0.006 . 2 . . . . 43 MET HG2 . 16711 1
492 . 1 1 43 43 MET HG3 H 1 2.351 0.006 . 2 . . . . 43 MET HG3 . 16711 1
493 . 1 1 43 43 MET CA C 13 56.699 0.16 . 1 . . . . 43 MET CA . 16711 1
494 . 1 1 43 43 MET CB C 13 32.382 0.16 . 1 . . . . 43 MET CB . 16711 1
495 . 1 1 43 43 MET CE C 13 20.934 0.16 . 1 . . . . 43 MET CE . 16711 1
496 . 1 1 43 43 MET CG C 13 33.604 0.16 . 1 . . . . 43 MET CG . 16711 1
497 . 1 1 43 43 MET N N 15 120.247 0.12 . 1 . . . . 43 MET N . 16711 1
498 . 1 1 44 44 CYS H H 1 8.395 0.006 . 1 . . . . 44 CYS H . 16711 1
499 . 1 1 44 44 CYS HA H 1 4.586 0.006 . 1 . . . . 44 CYS HA . 16711 1
500 . 1 1 44 44 CYS HB2 H 1 2.621 0.006 . 2 . . . . 44 CYS HB2 . 16711 1
501 . 1 1 44 44 CYS HB3 H 1 3.630 0.006 . 2 . . . . 44 CYS HB3 . 16711 1
502 . 1 1 44 44 CYS CA C 13 58.621 0.16 . 1 . . . . 44 CYS CA . 16711 1
503 . 1 1 44 44 CYS CB C 13 38.414 0.16 . 1 . . . . 44 CYS CB . 16711 1
504 . 1 1 44 44 CYS N N 15 121.735 0.12 . 1 . . . . 44 CYS N . 16711 1
505 . 1 1 45 45 ASN H H 1 9.744 0.006 . 1 . . . . 45 ASN H . 16711 1
506 . 1 1 45 45 ASN HA H 1 4.440 0.006 . 1 . . . . 45 ASN HA . 16711 1
507 . 1 1 45 45 ASN HB2 H 1 2.520 0.006 . 2 . . . . 45 ASN HB2 . 16711 1
508 . 1 1 45 45 ASN HB3 H 1 2.629 0.006 . 2 . . . . 45 ASN HB3 . 16711 1
509 . 1 1 45 45 ASN HD21 H 1 8.268 0.006 . 2 . . . . 45 ASN HD21 . 16711 1
510 . 1 1 45 45 ASN HD22 H 1 9.407 0.006 . 2 . . . . 45 ASN HD22 . 16711 1
511 . 1 1 45 45 ASN CA C 13 53.623 0.16 . 1 . . . . 45 ASN CA . 16711 1
512 . 1 1 45 45 ASN CB C 13 42.599 0.16 . 1 . . . . 45 ASN CB . 16711 1
513 . 1 1 45 45 ASN N N 15 118.986 0.12 . 1 . . . . 45 ASN N . 16711 1
514 . 1 1 45 45 ASN ND2 N 15 122.611 0.12 . 1 . . . . 45 ASN ND2 . 16711 1
515 . 1 1 46 46 ARG H H 1 7.729 0.006 . 1 . . . . 46 ARG H . 16711 1
516 . 1 1 46 46 ARG HA H 1 4.825 0.006 . 1 . . . . 46 ARG HA . 16711 1
517 . 1 1 46 46 ARG HB2 H 1 1.788 0.006 . 2 . . . . 46 ARG HB2 . 16711 1
518 . 1 1 46 46 ARG HB3 H 1 1.701 0.006 . 2 . . . . 46 ARG HB3 . 16711 1
519 . 1 1 46 46 ARG HD2 H 1 3.079 0.006 . 2 . . . . 46 ARG QD . 16711 1
520 . 1 1 46 46 ARG HD3 H 1 3.079 0.006 . 2 . . . . 46 ARG QD . 16711 1
521 . 1 1 46 46 ARG HE H 1 7.062 0.006 . 1 . . . . 46 ARG HE . 16711 1
522 . 1 1 46 46 ARG HG2 H 1 1.707 0.006 . 2 . . . . 46 ARG HG2 . 16711 1
523 . 1 1 46 46 ARG HG3 H 1 1.504 0.006 . 2 . . . . 46 ARG HG3 . 16711 1
524 . 1 1 46 46 ARG CA C 13 55.953 0.16 . 1 . . . . 46 ARG CA . 16711 1
525 . 1 1 46 46 ARG CB C 13 31.483 0.16 . 1 . . . . 46 ARG CB . 16711 1
526 . 1 1 46 46 ARG CD C 13 43.483 0.16 . 1 . . . . 46 ARG CD . 16711 1
527 . 1 1 46 46 ARG CG C 13 27.924 0.16 . 1 . . . . 46 ARG CG . 16711 1
528 . 1 1 46 46 ARG N N 15 119.218 0.12 . 1 . . . . 46 ARG N . 16711 1
529 . 1 1 46 46 ARG NE N 15 84.300 0.12 . 1 . . . . 46 ARG NE . 16711 1
530 . 1 1 47 47 PHE H H 1 8.310 0.006 . 1 . . . . 47 PHE H . 16711 1
531 . 1 1 47 47 PHE HA H 1 6.050 0.006 . 1 . . . . 47 PHE HA . 16711 1
532 . 1 1 47 47 PHE HB2 H 1 2.847 0.006 . 2 . . . . 47 PHE HB2 . 16711 1
533 . 1 1 47 47 PHE HB3 H 1 2.903 0.006 . 2 . . . . 47 PHE HB3 . 16711 1
534 . 1 1 47 47 PHE HD1 H 1 6.747 0.006 . 3 . . . . 47 PHE QD . 16711 1
535 . 1 1 47 47 PHE HD2 H 1 6.747 0.006 . 3 . . . . 47 PHE QD . 16711 1
536 . 1 1 47 47 PHE HE1 H 1 6.855 0.006 . 3 . . . . 47 PHE QE . 16711 1
537 . 1 1 47 47 PHE HE2 H 1 6.855 0.006 . 3 . . . . 47 PHE QE . 16711 1
538 . 1 1 47 47 PHE HZ H 1 7.090 0.006 . 1 . . . . 47 PHE HZ . 16711 1
539 . 1 1 47 47 PHE CA C 13 54.843 0.16 . 1 . . . . 47 PHE CA . 16711 1
540 . 1 1 47 47 PHE CB C 13 43.768 0.16 . 1 . . . . 47 PHE CB . 16711 1
541 . 1 1 47 47 PHE CD1 C 13 131.729 0.16 . 3 . . . . 47 PHE CD1 . 16711 1
542 . 1 1 47 47 PHE CD2 C 13 131.729 0.16 . 3 . . . . 47 PHE CD2 . 16711 1
543 . 1 1 47 47 PHE CE1 C 13 129.179 0.16 . 3 . . . . 47 PHE CE1 . 16711 1
544 . 1 1 47 47 PHE CE2 C 13 129.179 0.16 . 3 . . . . 47 PHE CE2 . 16711 1
545 . 1 1 47 47 PHE CZ C 13 128.556 0.16 . 1 . . . . 47 PHE CZ . 16711 1
546 . 1 1 47 47 PHE N N 15 118.392 0.12 . 1 . . . . 47 PHE N . 16711 1
547 . 1 1 48 48 SER H H 1 8.488 0.006 . 1 . . . . 48 SER H . 16711 1
548 . 1 1 48 48 SER HA H 1 5.296 0.006 . 1 . . . . 48 SER HA . 16711 1
549 . 1 1 48 48 SER HB2 H 1 3.863 0.006 . 2 . . . . 48 SER HB2 . 16711 1
550 . 1 1 48 48 SER CA C 13 57.248 0.16 . 1 . . . . 48 SER CA . 16711 1
551 . 1 1 48 48 SER CB C 13 66.106 0.16 . 1 . . . . 48 SER CB . 16711 1
552 . 1 1 48 48 SER N N 15 111.676 0.12 . 1 . . . . 48 SER N . 16711 1
553 . 1 1 49 49 GLY H H 1 8.584 0.006 . 1 . . . . 49 GLY H . 16711 1
554 . 1 1 49 49 GLY HA2 H 1 4.223 0.006 . 2 . . . . 49 GLY HA2 . 16711 1
555 . 1 1 49 49 GLY HA3 H 1 3.900 0.006 . 2 . . . . 49 GLY HA3 . 16711 1
556 . 1 1 49 49 GLY CA C 13 46.043 0.16 . 1 . . . . 49 GLY CA . 16711 1
557 . 1 1 49 49 GLY N N 15 107.562 0.12 . 1 . . . . 49 GLY N . 16711 1
558 . 1 1 50 50 GLU H H 1 8.619 0.006 . 1 . . . . 50 GLU H . 16711 1
559 . 1 1 50 50 GLU HA H 1 4.592 0.006 . 1 . . . . 50 GLU HA . 16711 1
560 . 1 1 50 50 GLU HB2 H 1 1.929 0.006 . 2 . . . . 50 GLU HB2 . 16711 1
561 . 1 1 50 50 GLU HB3 H 1 2.031 0.006 . 2 . . . . 50 GLU HB3 . 16711 1
562 . 1 1 50 50 GLU HG2 H 1 2.333 0.006 . 2 . . . . 50 GLU HG2 . 16711 1
563 . 1 1 50 50 GLU HG3 H 1 2.181 0.006 . 2 . . . . 50 GLU HG3 . 16711 1
564 . 1 1 50 50 GLU CA C 13 57.085 0.16 . 1 . . . . 50 GLU CA . 16711 1
565 . 1 1 50 50 GLU CB C 13 30.838 0.16 . 1 . . . . 50 GLU CB . 16711 1
566 . 1 1 50 50 GLU CG C 13 36.716 0.16 . 1 . . . . 50 GLU CG . 16711 1
567 . 1 1 50 50 GLU N N 15 121.386 0.12 . 1 . . . . 50 GLU N . 16711 1
568 . 1 1 51 51 GLY H H 1 8.427 0.006 . 1 . . . . 51 GLY H . 16711 1
569 . 1 1 51 51 GLY HA2 H 1 4.991 0.006 . 2 . . . . 51 GLY HA2 . 16711 1
570 . 1 1 51 51 GLY HA3 H 1 3.693 0.006 . 2 . . . . 51 GLY HA3 . 16711 1
571 . 1 1 51 51 GLY CA C 13 45.330 0.16 . 1 . . . . 51 GLY CA . 16711 1
572 . 1 1 51 51 GLY N N 15 114.840 0.12 . 1 . . . . 51 GLY N . 16711 1
573 . 1 1 52 52 LYS H H 1 8.700 0.006 . 1 . . . . 52 LYS H . 16711 1
574 . 1 1 52 52 LYS HA H 1 4.353 0.006 . 1 . . . . 52 LYS HA . 16711 1
575 . 1 1 52 52 LYS HB2 H 1 1.649 0.006 . 2 . . . . 52 LYS HB2 . 16711 1
576 . 1 1 52 52 LYS HD2 H 1 1.557 0.006 . 2 . . . . 52 LYS QD . 16711 1
577 . 1 1 52 52 LYS HD3 H 1 1.557 0.006 . 2 . . . . 52 LYS QD . 16711 1
578 . 1 1 52 52 LYS HE2 H 1 2.839 0.006 . 2 . . . . 52 LYS QE . 16711 1
579 . 1 1 52 52 LYS HE3 H 1 2.839 0.006 . 2 . . . . 52 LYS QE . 16711 1
580 . 1 1 52 52 LYS HG2 H 1 1.296 0.006 . 2 . . . . 52 LYS HG2 . 16711 1
581 . 1 1 52 52 LYS HG3 H 1 1.136 0.006 . 2 . . . . 52 LYS HG3 . 16711 1
582 . 1 1 52 52 LYS CA C 13 56.074 0.16 . 1 . . . . 52 LYS CA . 16711 1
583 . 1 1 52 52 LYS CB C 13 35.364 0.16 . 1 . . . . 52 LYS CB . 16711 1
584 . 1 1 52 52 LYS CD C 13 29.519 0.16 . 1 . . . . 52 LYS CD . 16711 1
585 . 1 1 52 52 LYS CE C 13 42.445 0.16 . 1 . . . . 52 LYS CE . 16711 1
586 . 1 1 52 52 LYS CG C 13 24.839 0.16 . 1 . . . . 52 LYS CG . 16711 1
587 . 1 1 52 52 LYS N N 15 120.206 0.12 . 1 . . . . 52 LYS N . 16711 1
588 . 1 1 53 53 LEU H H 1 8.722 0.006 . 1 . . . . 53 LEU H . 16711 1
589 . 1 1 53 53 LEU HA H 1 5.220 0.006 . 1 . . . . 53 LEU HA . 16711 1
590 . 1 1 53 53 LEU HB2 H 1 1.694 0.006 . 2 . . . . 53 LEU HB2 . 16711 1
591 . 1 1 53 53 LEU HB3 H 1 1.048 0.006 . 2 . . . . 53 LEU HB3 . 16711 1
592 . 1 1 53 53 LEU HD11 H 1 0.439 0.006 . 1 . . . . 53 LEU QD1 . 16711 1
593 . 1 1 53 53 LEU HD12 H 1 0.439 0.006 . 1 . . . . 53 LEU QD1 . 16711 1
594 . 1 1 53 53 LEU HD13 H 1 0.439 0.006 . 1 . . . . 53 LEU QD1 . 16711 1
595 . 1 1 53 53 LEU HD21 H 1 0.444 0.006 . 1 . . . . 53 LEU QD2 . 16711 1
596 . 1 1 53 53 LEU HD22 H 1 0.444 0.006 . 1 . . . . 53 LEU QD2 . 16711 1
597 . 1 1 53 53 LEU HD23 H 1 0.444 0.006 . 1 . . . . 53 LEU QD2 . 16711 1
598 . 1 1 53 53 LEU HG H 1 1.354 0.006 . 1 . . . . 53 LEU HG . 16711 1
599 . 1 1 53 53 LEU CA C 13 53.226 0.16 . 1 . . . . 53 LEU CA . 16711 1
600 . 1 1 53 53 LEU CB C 13 45.114 0.16 . 1 . . . . 53 LEU CB . 16711 1
601 . 1 1 53 53 LEU CD1 C 13 24.259 0.16 . 2 . . . . 53 LEU CD1 . 16711 1
602 . 1 1 53 53 LEU CD2 C 13 26.011 0.16 . 2 . . . . 53 LEU CD2 . 16711 1
603 . 1 1 53 53 LEU CG C 13 27.339 0.16 . 1 . . . . 53 LEU CG . 16711 1
604 . 1 1 53 53 LEU N N 15 127.638 0.12 . 1 . . . . 53 LEU N . 16711 1
605 . 1 1 54 54 SER H H 1 8.665 0.006 . 1 . . . . 54 SER H . 16711 1
606 . 1 1 54 54 SER HA H 1 4.610 0.006 . 1 . . . . 54 SER HA . 16711 1
607 . 1 1 54 54 SER HB2 H 1 3.559 0.006 . 2 . . . . 54 SER HB2 . 16711 1
608 . 1 1 54 54 SER HB3 H 1 3.699 0.006 . 2 . . . . 54 SER HB3 . 16711 1
609 . 1 1 54 54 SER CA C 13 57.015 0.16 . 1 . . . . 54 SER CA . 16711 1
610 . 1 1 54 54 SER CB C 13 64.346 0.16 . 1 . . . . 54 SER CB . 16711 1
611 . 1 1 54 54 SER N N 15 119.892 0.12 . 1 . . . . 54 SER N . 16711 1
612 . 1 1 55 55 ASN H H 1 9.532 0.006 . 1 . . . . 55 ASN H . 16711 1
613 . 1 1 55 55 ASN HA H 1 4.387 0.006 . 1 . . . . 55 ASN HA . 16711 1
614 . 1 1 55 55 ASN HB2 H 1 2.645 0.006 . 2 . . . . 55 ASN HB2 . 16711 1
615 . 1 1 55 55 ASN HB3 H 1 3.012 0.006 . 2 . . . . 55 ASN HB3 . 16711 1
616 . 1 1 55 55 ASN HD21 H 1 6.774 0.006 . 2 . . . . 55 ASN HD21 . 16711 1
617 . 1 1 55 55 ASN HD22 H 1 7.522 0.006 . 2 . . . . 55 ASN HD22 . 16711 1
618 . 1 1 55 55 ASN CA C 13 54.875 0.16 . 1 . . . . 55 ASN CA . 16711 1
619 . 1 1 55 55 ASN CB C 13 38.228 0.16 . 1 . . . . 55 ASN CB . 16711 1
620 . 1 1 55 55 ASN N N 15 127.655 0.12 . 1 . . . . 55 ASN N . 16711 1
621 . 1 1 55 55 ASN ND2 N 15 113.140 0.12 . 1 . . . . 55 ASN ND2 . 16711 1
622 . 1 1 56 56 GLY H H 1 8.937 0.006 . 1 . . . . 56 GLY H . 16711 1
623 . 1 1 56 56 GLY HA2 H 1 4.209 0.006 . 2 . . . . 56 GLY HA2 . 16711 1
624 . 1 1 56 56 GLY HA3 H 1 3.379 0.006 . 2 . . . . 56 GLY HA3 . 16711 1
625 . 1 1 56 56 GLY CA C 13 46.423 0.16 . 1 . . . . 56 GLY CA . 16711 1
626 . 1 1 56 56 GLY N N 15 104.394 0.12 . 1 . . . . 56 GLY N . 16711 1
627 . 1 1 57 57 GLU H H 1 7.737 0.006 . 1 . . . . 57 GLU H . 16711 1
628 . 1 1 57 57 GLU HA H 1 4.882 0.006 . 1 . . . . 57 GLU HA . 16711 1
629 . 1 1 57 57 GLU HB2 H 1 1.992 0.006 . 2 . . . . 57 GLU HB2 . 16711 1
630 . 1 1 57 57 GLU HB3 H 1 1.839 0.006 . 2 . . . . 57 GLU HB3 . 16711 1
631 . 1 1 57 57 GLU HG2 H 1 1.771 0.006 . 2 . . . . 57 GLU HG2 . 16711 1
632 . 1 1 57 57 GLU HG3 H 1 1.922 0.006 . 2 . . . . 57 GLU HG3 . 16711 1
633 . 1 1 57 57 GLU CA C 13 54.741 0.16 . 1 . . . . 57 GLU CA . 16711 1
634 . 1 1 57 57 GLU CB C 13 32.778 0.16 . 1 . . . . 57 GLU CB . 16711 1
635 . 1 1 57 57 GLU CG C 13 37.274 0.16 . 1 . . . . 57 GLU CG . 16711 1
636 . 1 1 57 57 GLU N N 15 119.484 0.12 . 1 . . . . 57 GLU N . 16711 1
637 . 1 1 58 58 LEU H H 1 9.528 0.006 . 1 . . . . 58 LEU H . 16711 1
638 . 1 1 58 58 LEU HA H 1 5.339 0.006 . 1 . . . . 58 LEU HA . 16711 1
639 . 1 1 58 58 LEU HB2 H 1 1.684 0.006 . 2 . . . . 58 LEU HB2 . 16711 1
640 . 1 1 58 58 LEU HB3 H 1 1.011 0.006 . 2 . . . . 58 LEU HB3 . 16711 1
641 . 1 1 58 58 LEU HD11 H 1 0.703 0.006 . 1 . . . . 58 LEU QD1 . 16711 1
642 . 1 1 58 58 LEU HD12 H 1 0.703 0.006 . 1 . . . . 58 LEU QD1 . 16711 1
643 . 1 1 58 58 LEU HD13 H 1 0.703 0.006 . 1 . . . . 58 LEU QD1 . 16711 1
644 . 1 1 58 58 LEU HD21 H 1 0.782 0.006 . 1 . . . . 58 LEU QD2 . 16711 1
645 . 1 1 58 58 LEU HD22 H 1 0.782 0.006 . 1 . . . . 58 LEU QD2 . 16711 1
646 . 1 1 58 58 LEU HD23 H 1 0.782 0.006 . 1 . . . . 58 LEU QD2 . 16711 1
647 . 1 1 58 58 LEU HG H 1 1.272 0.006 . 1 . . . . 58 LEU HG . 16711 1
648 . 1 1 58 58 LEU CA C 13 53.651 0.16 . 1 . . . . 58 LEU CA . 16711 1
649 . 1 1 58 58 LEU CB C 13 46.210 0.16 . 1 . . . . 58 LEU CB . 16711 1
650 . 1 1 58 58 LEU CD1 C 13 27.250 0.16 . 2 . . . . 58 LEU CD1 . 16711 1
651 . 1 1 58 58 LEU CD2 C 13 23.910 0.16 . 2 . . . . 58 LEU CD2 . 16711 1
652 . 1 1 58 58 LEU CG C 13 27.470 0.16 . 1 . . . . 58 LEU CG . 16711 1
653 . 1 1 58 58 LEU N N 15 130.730 0.12 . 1 . . . . 58 LEU N . 16711 1
654 . 1 1 59 59 THR H H 1 8.763 0.006 . 1 . . . . 59 THR H . 16711 1
655 . 1 1 59 59 THR HA H 1 5.027 0.006 . 1 . . . . 59 THR HA . 16711 1
656 . 1 1 59 59 THR HB H 1 4.092 0.006 . 1 . . . . 59 THR HB . 16711 1
657 . 1 1 59 59 THR HG21 H 1 1.023 0.006 . 1 . . . . 59 THR QG2 . 16711 1
658 . 1 1 59 59 THR HG22 H 1 1.023 0.006 . 1 . . . . 59 THR QG2 . 16711 1
659 . 1 1 59 59 THR HG23 H 1 1.023 0.006 . 1 . . . . 59 THR QG2 . 16711 1
660 . 1 1 59 59 THR CA C 13 59.635 0.16 . 1 . . . . 59 THR CA . 16711 1
661 . 1 1 59 59 THR CB C 13 73.662 0.16 . 1 . . . . 59 THR CB . 16711 1
662 . 1 1 59 59 THR CG2 C 13 22.943 0.16 . 1 . . . . 59 THR CG2 . 16711 1
663 . 1 1 59 59 THR N N 15 115.733 0.12 . 1 . . . . 59 THR N . 16711 1
664 . 1 1 60 60 ALA H H 1 8.308 0.006 . 1 . . . . 60 ALA H . 16711 1
665 . 1 1 60 60 ALA HA H 1 5.022 0.006 . 1 . . . . 60 ALA HA . 16711 1
666 . 1 1 60 60 ALA HB1 H 1 1.058 0.006 . 1 . . . . 60 ALA QB . 16711 1
667 . 1 1 60 60 ALA HB2 H 1 1.058 0.006 . 1 . . . . 60 ALA QB . 16711 1
668 . 1 1 60 60 ALA HB3 H 1 1.058 0.006 . 1 . . . . 60 ALA QB . 16711 1
669 . 1 1 60 60 ALA CA C 13 51.492 0.16 . 1 . . . . 60 ALA CA . 16711 1
670 . 1 1 60 60 ALA CB C 13 22.545 0.16 . 1 . . . . 60 ALA CB . 16711 1
671 . 1 1 60 60 ALA N N 15 119.582 0.12 . 1 . . . . 60 ALA N . 16711 1
672 . 1 1 61 61 LYS H H 1 8.659 0.006 . 1 . . . . 61 LYS H . 16711 1
673 . 1 1 61 61 LYS HA H 1 4.348 0.006 . 1 . . . . 61 LYS HA . 16711 1
674 . 1 1 61 61 LYS HB2 H 1 1.735 0.006 . 2 . . . . 61 LYS HB2 . 16711 1
675 . 1 1 61 61 LYS HB3 H 1 1.812 0.006 . 2 . . . . 61 LYS HB3 . 16711 1
676 . 1 1 61 61 LYS HD2 H 1 1.617 0.006 . 2 . . . . 61 LYS QD . 16711 1
677 . 1 1 61 61 LYS HD3 H 1 1.617 0.006 . 2 . . . . 61 LYS QD . 16711 1
678 . 1 1 61 61 LYS HE2 H 1 2.890 0.006 . 2 . . . . 61 LYS QE . 16711 1
679 . 1 1 61 61 LYS HE3 H 1 2.890 0.006 . 2 . . . . 61 LYS QE . 16711 1
680 . 1 1 61 61 LYS HG2 H 1 1.405 0.006 . 2 . . . . 61 LYS QG . 16711 1
681 . 1 1 61 61 LYS HG3 H 1 1.405 0.006 . 2 . . . . 61 LYS QG . 16711 1
682 . 1 1 61 61 LYS CA C 13 56.397 0.16 . 1 . . . . 61 LYS CA . 16711 1
683 . 1 1 61 61 LYS CB C 13 34.057 0.16 . 1 . . . . 61 LYS CB . 16711 1
684 . 1 1 61 61 LYS CD C 13 29.541 0.16 . 1 . . . . 61 LYS CD . 16711 1
685 . 1 1 61 61 LYS CE C 13 42.538 0.16 . 1 . . . . 61 LYS CE . 16711 1
686 . 1 1 61 61 LYS CG C 13 25.390 0.16 . 1 . . . . 61 LYS CG . 16711 1
687 . 1 1 61 61 LYS N N 15 122.305 0.12 . 1 . . . . 61 LYS N . 16711 1
688 . 1 1 62 62 GLY H H 1 8.400 0.006 . 1 . . . . 62 GLY H . 16711 1
689 . 1 1 62 62 GLY HA2 H 1 3.911 0.006 . 2 . . . . 62 GLY HA2 . 16711 1
690 . 1 1 62 62 GLY HA3 H 1 3.713 0.006 . 2 . . . . 62 GLY HA3 . 16711 1
691 . 1 1 62 62 GLY CA C 13 46.587 0.16 . 1 . . . . 62 GLY CA . 16711 1
692 . 1 1 62 62 GLY N N 15 109.859 0.12 . 1 . . . . 62 GLY N . 16711 1
693 . 1 1 63 63 LEU H H 1 7.837 0.006 . 1 . . . . 63 LEU H . 16711 1
694 . 1 1 63 63 LEU HA H 1 4.452 0.006 . 1 . . . . 63 LEU HA . 16711 1
695 . 1 1 63 63 LEU HB2 H 1 1.335 0.006 . 2 . . . . 63 LEU HB2 . 16711 1
696 . 1 1 63 63 LEU HB3 H 1 1.493 0.006 . 2 . . . . 63 LEU HB3 . 16711 1
697 . 1 1 63 63 LEU HD11 H 1 0.551 0.006 . 1 . . . . 63 LEU QD1 . 16711 1
698 . 1 1 63 63 LEU HD12 H 1 0.551 0.006 . 1 . . . . 63 LEU QD1 . 16711 1
699 . 1 1 63 63 LEU HD13 H 1 0.551 0.006 . 1 . . . . 63 LEU QD1 . 16711 1
700 . 1 1 63 63 LEU HD21 H 1 0.568 0.006 . 1 . . . . 63 LEU QD2 . 16711 1
701 . 1 1 63 63 LEU HD22 H 1 0.568 0.006 . 1 . . . . 63 LEU QD2 . 16711 1
702 . 1 1 63 63 LEU HD23 H 1 0.568 0.006 . 1 . . . . 63 LEU QD2 . 16711 1
703 . 1 1 63 63 LEU HG H 1 1.445 0.006 . 1 . . . . 63 LEU HG . 16711 1
704 . 1 1 63 63 LEU CA C 13 55.714 0.16 . 1 . . . . 63 LEU CA . 16711 1
705 . 1 1 63 63 LEU CB C 13 43.642 0.16 . 1 . . . . 63 LEU CB . 16711 1
706 . 1 1 63 63 LEU CD1 C 13 25.024 0.16 . 2 . . . . 63 LEU CD1 . 16711 1
707 . 1 1 63 63 LEU CD2 C 13 25.176 0.16 . 2 . . . . 63 LEU CD2 . 16711 1
708 . 1 1 63 63 LEU CG C 13 27.148 0.16 . 1 . . . . 63 LEU CG . 16711 1
709 . 1 1 63 63 LEU N N 15 120.748 0.12 . 1 . . . . 63 LEU N . 16711 1
710 . 1 1 64 64 ALA H H 1 8.972 0.006 . 1 . . . . 64 ALA H . 16711 1
711 . 1 1 64 64 ALA HA H 1 4.643 0.006 . 1 . . . . 64 ALA HA . 16711 1
712 . 1 1 64 64 ALA HB1 H 1 1.335 0.006 . 1 . . . . 64 ALA QB . 16711 1
713 . 1 1 64 64 ALA HB2 H 1 1.335 0.006 . 1 . . . . 64 ALA QB . 16711 1
714 . 1 1 64 64 ALA HB3 H 1 1.335 0.006 . 1 . . . . 64 ALA QB . 16711 1
715 . 1 1 64 64 ALA CA C 13 51.446 0.16 . 1 . . . . 64 ALA CA . 16711 1
716 . 1 1 64 64 ALA CB C 13 20.792 0.16 . 1 . . . . 64 ALA CB . 16711 1
717 . 1 1 64 64 ALA N N 15 130.501 0.12 . 1 . . . . 64 ALA N . 16711 1
718 . 1 1 65 65 MET H H 1 8.232 0.006 . 1 . . . . 65 MET H . 16711 1
719 . 1 1 65 65 MET HA H 1 5.465 0.006 . 1 . . . . 65 MET HA . 16711 1
720 . 1 1 65 65 MET HB2 H 1 1.857 0.006 . 2 . . . . 65 MET HB2 . 16711 1
721 . 1 1 65 65 MET HB3 H 1 1.929 0.006 . 2 . . . . 65 MET HB3 . 16711 1
722 . 1 1 65 65 MET HE1 H 1 1.848 0.006 . 1 . . . . 65 MET QE . 16711 1
723 . 1 1 65 65 MET HE2 H 1 1.848 0.006 . 1 . . . . 65 MET QE . 16711 1
724 . 1 1 65 65 MET HE3 H 1 1.848 0.006 . 1 . . . . 65 MET QE . 16711 1
725 . 1 1 65 65 MET HG2 H 1 2.820 0.006 . 2 . . . . 65 MET HG2 . 16711 1
726 . 1 1 65 65 MET HG3 H 1 2.385 0.006 . 2 . . . . 65 MET HG3 . 16711 1
727 . 1 1 65 65 MET CA C 13 55.267 0.16 . 1 . . . . 65 MET CA . 16711 1
728 . 1 1 65 65 MET CB C 13 37.610 0.16 . 1 . . . . 65 MET CB . 16711 1
729 . 1 1 65 65 MET CE C 13 17.209 0.16 . 1 . . . . 65 MET CE . 16711 1
730 . 1 1 65 65 MET CG C 13 31.840 0.16 . 1 . . . . 65 MET CG . 16711 1
731 . 1 1 65 65 MET N N 15 121.384 0.12 . 1 . . . . 65 MET N . 16711 1
732 . 1 1 66 66 THR H H 1 7.910 0.006 . 1 . . . . 66 THR H . 16711 1
733 . 1 1 66 66 THR HA H 1 4.318 0.006 . 1 . . . . 66 THR HA . 16711 1
734 . 1 1 66 66 THR HB H 1 4.603 0.006 . 1 . . . . 66 THR HB . 16711 1
735 . 1 1 66 66 THR HG21 H 1 1.271 0.006 . 1 . . . . 66 THR QG2 . 16711 1
736 . 1 1 66 66 THR HG22 H 1 1.271 0.006 . 1 . . . . 66 THR QG2 . 16711 1
737 . 1 1 66 66 THR HG23 H 1 1.271 0.006 . 1 . . . . 66 THR QG2 . 16711 1
738 . 1 1 66 66 THR CA C 13 63.199 0.16 . 1 . . . . 66 THR CA . 16711 1
739 . 1 1 66 66 THR CB C 13 70.092 0.16 . 1 . . . . 66 THR CB . 16711 1
740 . 1 1 66 66 THR CG2 C 13 22.389 0.16 . 1 . . . . 66 THR CG2 . 16711 1
741 . 1 1 66 66 THR N N 15 114.482 0.12 . 1 . . . . 66 THR N . 16711 1
742 . 1 1 67 67 ARG H H 1 8.347 0.006 . 1 . . . . 67 ARG H . 16711 1
743 . 1 1 67 67 ARG HA H 1 4.563 0.006 . 1 . . . . 67 ARG HA . 16711 1
744 . 1 1 67 67 ARG HB2 H 1 1.997 0.006 . 2 . . . . 67 ARG HB2 . 16711 1
745 . 1 1 67 67 ARG HB3 H 1 1.473 0.006 . 2 . . . . 67 ARG HB3 . 16711 1
746 . 1 1 67 67 ARG HD2 H 1 3.102 0.006 . 2 . . . . 67 ARG QD . 16711 1
747 . 1 1 67 67 ARG HD3 H 1 3.102 0.006 . 2 . . . . 67 ARG QD . 16711 1
748 . 1 1 67 67 ARG HE H 1 7.059 0.006 . 1 . . . . 67 ARG HE . 16711 1
749 . 1 1 67 67 ARG HG2 H 1 1.547 0.006 . 2 . . . . 67 ARG HG2 . 16711 1
750 . 1 1 67 67 ARG HG3 H 1 1.420 0.006 . 2 . . . . 67 ARG HG3 . 16711 1
751 . 1 1 67 67 ARG CA C 13 55.203 0.16 . 1 . . . . 67 ARG CA . 16711 1
752 . 1 1 67 67 ARG CB C 13 30.496 0.16 . 1 . . . . 67 ARG CB . 16711 1
753 . 1 1 67 67 ARG CD C 13 43.658 0.16 . 1 . . . . 67 ARG CD . 16711 1
754 . 1 1 67 67 ARG CG C 13 27.112 0.16 . 1 . . . . 67 ARG CG . 16711 1
755 . 1 1 67 67 ARG N N 15 118.643 0.12 . 1 . . . . 67 ARG N . 16711 1
756 . 1 1 67 67 ARG NE N 15 85.080 0.12 . 1 . . . . 67 ARG NE . 16711 1
757 . 1 1 68 68 MET H H 1 9.071 0.006 . 1 . . . . 68 MET H . 16711 1
758 . 1 1 68 68 MET HA H 1 4.442 0.006 . 1 . . . . 68 MET HA . 16711 1
759 . 1 1 68 68 MET HB2 H 1 2.065 0.006 . 2 . . . . 68 MET HB2 . 16711 1
760 . 1 1 68 68 MET HB3 H 1 1.983 0.006 . 2 . . . . 68 MET HB3 . 16711 1
761 . 1 1 68 68 MET HE1 H 1 2.055 0.006 . 1 . . . . 68 MET QE . 16711 1
762 . 1 1 68 68 MET HE2 H 1 2.055 0.006 . 1 . . . . 68 MET QE . 16711 1
763 . 1 1 68 68 MET HE3 H 1 2.055 0.006 . 1 . . . . 68 MET QE . 16711 1
764 . 1 1 68 68 MET HG2 H 1 2.542 0.006 . 2 . . . . 68 MET HG2 . 16711 1
765 . 1 1 68 68 MET HG3 H 1 2.493 0.006 . 2 . . . . 68 MET HG3 . 16711 1
766 . 1 1 68 68 MET CA C 13 55.939 0.16 . 1 . . . . 68 MET CA . 16711 1
767 . 1 1 68 68 MET CB C 13 33.700 0.16 . 1 . . . . 68 MET CB . 16711 1
768 . 1 1 68 68 MET CE C 13 17.600 0.16 . 1 . . . . 68 MET CE . 16711 1
769 . 1 1 68 68 MET CG C 13 32.640 0.16 . 1 . . . . 68 MET CG . 16711 1
770 . 1 1 68 68 MET N N 15 121.595 0.12 . 1 . . . . 68 MET N . 16711 1
771 . 1 1 69 69 MET H H 1 8.525 0.006 . 1 . . . . 69 MET H . 16711 1
772 . 1 1 69 69 MET HA H 1 4.647 0.006 . 1 . . . . 69 MET HA . 16711 1
773 . 1 1 69 69 MET HB2 H 1 1.899 0.006 . 2 . . . . 69 MET HB2 . 16711 1
774 . 1 1 69 69 MET HE1 H 1 1.996 0.006 . 1 . . . . 69 MET QE . 16711 1
775 . 1 1 69 69 MET HE2 H 1 1.996 0.006 . 1 . . . . 69 MET QE . 16711 1
776 . 1 1 69 69 MET HE3 H 1 1.996 0.006 . 1 . . . . 69 MET QE . 16711 1
777 . 1 1 69 69 MET HG2 H 1 2.485 0.006 . 2 . . . . 69 MET HG2 . 16711 1
778 . 1 1 69 69 MET HG3 H 1 2.443 0.006 . 2 . . . . 69 MET HG3 . 16711 1
779 . 1 1 69 69 MET CA C 13 55.307 0.16 . 1 . . . . 69 MET CA . 16711 1
780 . 1 1 69 69 MET CB C 13 33.570 0.16 . 1 . . . . 69 MET CB . 16711 1
781 . 1 1 69 69 MET CE C 13 17.085 0.16 . 1 . . . . 69 MET CE . 16711 1
782 . 1 1 69 69 MET CG C 13 32.389 0.16 . 1 . . . . 69 MET CG . 16711 1
783 . 1 1 69 69 MET N N 15 120.960 0.12 . 1 . . . . 69 MET N . 16711 1
784 . 1 1 70 70 CYS H H 1 9.103 0.006 . 1 . . . . 70 CYS H . 16711 1
785 . 1 1 70 70 CYS HA H 1 4.725 0.006 . 1 . . . . 70 CYS HA . 16711 1
786 . 1 1 70 70 CYS HB2 H 1 3.222 0.006 . 2 . . . . 70 CYS HB2 . 16711 1
787 . 1 1 70 70 CYS HB3 H 1 2.915 0.006 . 2 . . . . 70 CYS HB3 . 16711 1
788 . 1 1 70 70 CYS CA C 13 60.103 0.16 . 1 . . . . 70 CYS CA . 16711 1
789 . 1 1 70 70 CYS CB C 13 41.046 0.16 . 1 . . . . 70 CYS CB . 16711 1
790 . 1 1 70 70 CYS N N 15 123.610 0.12 . 1 . . . . 70 CYS N . 16711 1
791 . 1 1 71 71 ALA H H 1 8.586 0.006 . 1 . . . . 71 ALA H . 16711 1
792 . 1 1 71 71 ALA HA H 1 4.074 0.006 . 1 . . . . 71 ALA HA . 16711 1
793 . 1 1 71 71 ALA HB1 H 1 1.349 0.006 . 1 . . . . 71 ALA QB . 16711 1
794 . 1 1 71 71 ALA HB2 H 1 1.349 0.006 . 1 . . . . 71 ALA QB . 16711 1
795 . 1 1 71 71 ALA HB3 H 1 1.349 0.006 . 1 . . . . 71 ALA QB . 16711 1
796 . 1 1 71 71 ALA CA C 13 54.194 0.16 . 1 . . . . 71 ALA CA . 16711 1
797 . 1 1 71 71 ALA CB C 13 18.795 0.16 . 1 . . . . 71 ALA CB . 16711 1
798 . 1 1 71 71 ALA N N 15 124.741 0.12 . 1 . . . . 71 ALA N . 16711 1
799 . 1 1 72 72 ASN H H 1 7.483 0.006 . 1 . . . . 72 ASN H . 16711 1
800 . 1 1 72 72 ASN HA H 1 4.942 0.006 . 1 . . . . 72 ASN HA . 16711 1
801 . 1 1 72 72 ASN HB2 H 1 2.826 0.006 . 2 . . . . 72 ASN QB . 16711 1
802 . 1 1 72 72 ASN HB3 H 1 2.826 0.006 . 2 . . . . 72 ASN QB . 16711 1
803 . 1 1 72 72 ASN HD21 H 1 7.264 0.006 . 2 . . . . 72 ASN HD21 . 16711 1
804 . 1 1 72 72 ASN HD22 H 1 7.794 0.006 . 2 . . . . 72 ASN HD22 . 16711 1
805 . 1 1 72 72 ASN CA C 13 50.259 0.16 . 1 . . . . 72 ASN CA . 16711 1
806 . 1 1 72 72 ASN CB C 13 39.245 0.16 . 1 . . . . 72 ASN CB . 16711 1
807 . 1 1 72 72 ASN N N 15 115.850 0.12 . 1 . . . . 72 ASN N . 16711 1
808 . 1 1 72 72 ASN ND2 N 15 112.458 0.12 . 1 . . . . 72 ASN ND2 . 16711 1
809 . 1 1 73 73 PRO HA H 1 4.368 0.006 . 1 . . . . 73 PRO HA . 16711 1
810 . 1 1 73 73 PRO HB2 H 1 2.373 0.006 . 2 . . . . 73 PRO HB2 . 16711 1
811 . 1 1 73 73 PRO HB3 H 1 2.001 0.006 . 2 . . . . 73 PRO HB3 . 16711 1
812 . 1 1 73 73 PRO HD2 H 1 4.222 0.006 . 2 . . . . 73 PRO HD2 . 16711 1
813 . 1 1 73 73 PRO HD3 H 1 3.892 0.006 . 2 . . . . 73 PRO HD3 . 16711 1
814 . 1 1 73 73 PRO HG2 H 1 2.054 0.006 . 2 . . . . 73 PRO HG2 . 16711 1
815 . 1 1 73 73 PRO HG3 H 1 2.010 0.006 . 2 . . . . 73 PRO HG3 . 16711 1
816 . 1 1 73 73 PRO CA C 13 64.972 0.16 . 1 . . . . 73 PRO CA . 16711 1
817 . 1 1 73 73 PRO CB C 13 32.594 0.16 . 1 . . . . 73 PRO CB . 16711 1
818 . 1 1 73 73 PRO CD C 13 51.660 0.16 . 1 . . . . 73 PRO CD . 16711 1
819 . 1 1 73 73 PRO CG C 13 27.550 0.16 . 1 . . . . 73 PRO CG . 16711 1
820 . 1 1 74 74 GLN H H 1 7.852 0.006 . 1 . . . . 74 GLN H . 16711 1
821 . 1 1 74 74 GLN HA H 1 4.080 0.006 . 1 . . . . 74 GLN HA . 16711 1
822 . 1 1 74 74 GLN HB2 H 1 1.996 0.006 . 2 . . . . 74 GLN HB2 . 16711 1
823 . 1 1 74 74 GLN HE21 H 1 6.819 0.006 . 2 . . . . 74 GLN HE21 . 16711 1
824 . 1 1 74 74 GLN HE22 H 1 7.545 0.006 . 2 . . . . 74 GLN HE22 . 16711 1
825 . 1 1 74 74 GLN HG2 H 1 2.114 0.006 . 2 . . . . 74 GLN HG2 . 16711 1
826 . 1 1 74 74 GLN HG3 H 1 2.416 0.006 . 2 . . . . 74 GLN HG3 . 16711 1
827 . 1 1 74 74 GLN CA C 13 59.019 0.16 . 1 . . . . 74 GLN CA . 16711 1
828 . 1 1 74 74 GLN CB C 13 29.102 0.16 . 1 . . . . 74 GLN CB . 16711 1
829 . 1 1 74 74 GLN CG C 13 34.640 0.16 . 1 . . . . 74 GLN CG . 16711 1
830 . 1 1 74 74 GLN N N 15 118.023 0.12 . 1 . . . . 74 GLN N . 16711 1
831 . 1 1 74 74 GLN NE2 N 15 110.706 0.12 . 1 . . . . 74 GLN NE2 . 16711 1
832 . 1 1 75 75 LEU H H 1 7.458 0.006 . 1 . . . . 75 LEU H . 16711 1
833 . 1 1 75 75 LEU HA H 1 3.961 0.006 . 1 . . . . 75 LEU HA . 16711 1
834 . 1 1 75 75 LEU HB2 H 1 1.231 0.006 . 2 . . . . 75 LEU HB2 . 16711 1
835 . 1 1 75 75 LEU HB3 H 1 1.783 0.006 . 2 . . . . 75 LEU HB3 . 16711 1
836 . 1 1 75 75 LEU HD11 H 1 0.998 0.006 . 1 . . . . 75 LEU QD1 . 16711 1
837 . 1 1 75 75 LEU HD12 H 1 0.998 0.006 . 1 . . . . 75 LEU QD1 . 16711 1
838 . 1 1 75 75 LEU HD13 H 1 0.998 0.006 . 1 . . . . 75 LEU QD1 . 16711 1
839 . 1 1 75 75 LEU HD21 H 1 0.630 0.006 . 1 . . . . 75 LEU QD2 . 16711 1
840 . 1 1 75 75 LEU HD22 H 1 0.630 0.006 . 1 . . . . 75 LEU QD2 . 16711 1
841 . 1 1 75 75 LEU HD23 H 1 0.630 0.006 . 1 . . . . 75 LEU QD2 . 16711 1
842 . 1 1 75 75 LEU HG H 1 1.556 0.006 . 1 . . . . 75 LEU HG . 16711 1
843 . 1 1 75 75 LEU CA C 13 57.895 0.16 . 1 . . . . 75 LEU CA . 16711 1
844 . 1 1 75 75 LEU CB C 13 41.277 0.16 . 1 . . . . 75 LEU CB . 16711 1
845 . 1 1 75 75 LEU CD1 C 13 26.128 0.16 . 2 . . . . 75 LEU CD1 . 16711 1
846 . 1 1 75 75 LEU CD2 C 13 22.329 0.16 . 2 . . . . 75 LEU CD2 . 16711 1
847 . 1 1 75 75 LEU CG C 13 27.287 0.16 . 1 . . . . 75 LEU CG . 16711 1
848 . 1 1 75 75 LEU N N 15 115.980 0.12 . 1 . . . . 75 LEU N . 16711 1
849 . 1 1 76 76 ASN H H 1 7.037 0.006 . 1 . . . . 76 ASN H . 16711 1
850 . 1 1 76 76 ASN HA H 1 4.472 0.006 . 1 . . . . 76 ASN HA . 16711 1
851 . 1 1 76 76 ASN HB2 H 1 2.887 0.006 . 2 . . . . 76 ASN HB2 . 16711 1
852 . 1 1 76 76 ASN HB3 H 1 2.740 0.006 . 2 . . . . 76 ASN HB3 . 16711 1
853 . 1 1 76 76 ASN HD21 H 1 7.425 0.006 . 2 . . . . 76 ASN HD21 . 16711 1
854 . 1 1 76 76 ASN HD22 H 1 7.589 0.006 . 2 . . . . 76 ASN HD22 . 16711 1
855 . 1 1 76 76 ASN CA C 13 57.090 0.16 . 1 . . . . 76 ASN CA . 16711 1
856 . 1 1 76 76 ASN CB C 13 38.634 0.16 . 1 . . . . 76 ASN CB . 16711 1
857 . 1 1 76 76 ASN N N 15 116.086 0.12 . 1 . . . . 76 ASN N . 16711 1
858 . 1 1 76 76 ASN ND2 N 15 114.586 0.12 . 1 . . . . 76 ASN ND2 . 16711 1
859 . 1 1 77 77 GLU H H 1 7.778 0.006 . 1 . . . . 77 GLU H . 16711 1
860 . 1 1 77 77 GLU HA H 1 4.073 0.006 . 1 . . . . 77 GLU HA . 16711 1
861 . 1 1 77 77 GLU HB2 H 1 2.094 0.006 . 2 . . . . 77 GLU HB2 . 16711 1
862 . 1 1 77 77 GLU HG2 H 1 2.291 0.006 . 2 . . . . 77 GLU HG2 . 16711 1
863 . 1 1 77 77 GLU HG3 H 1 2.144 0.006 . 2 . . . . 77 GLU HG3 . 16711 1
864 . 1 1 77 77 GLU CA C 13 59.534 0.16 . 1 . . . . 77 GLU CA . 16711 1
865 . 1 1 77 77 GLU CB C 13 29.606 0.16 . 1 . . . . 77 GLU CB . 16711 1
866 . 1 1 77 77 GLU CG C 13 36.296 0.16 . 1 . . . . 77 GLU CG . 16711 1
867 . 1 1 77 77 GLU N N 15 120.550 0.12 . 1 . . . . 77 GLU N . 16711 1
868 . 1 1 78 78 LEU H H 1 8.069 0.006 . 1 . . . . 78 LEU H . 16711 1
869 . 1 1 78 78 LEU HA H 1 4.073 0.006 . 1 . . . . 78 LEU HA . 16711 1
870 . 1 1 78 78 LEU HB2 H 1 2.029 0.006 . 2 . . . . 78 LEU HB2 . 16711 1
871 . 1 1 78 78 LEU HB3 H 1 1.704 0.006 . 2 . . . . 78 LEU HB3 . 16711 1
872 . 1 1 78 78 LEU HD11 H 1 0.829 0.006 . 1 . . . . 78 LEU QD1 . 16711 1
873 . 1 1 78 78 LEU HD12 H 1 0.829 0.006 . 1 . . . . 78 LEU QD1 . 16711 1
874 . 1 1 78 78 LEU HD13 H 1 0.829 0.006 . 1 . . . . 78 LEU QD1 . 16711 1
875 . 1 1 78 78 LEU HD21 H 1 0.744 0.006 . 1 . . . . 78 LEU QD2 . 16711 1
876 . 1 1 78 78 LEU HD22 H 1 0.744 0.006 . 1 . . . . 78 LEU QD2 . 16711 1
877 . 1 1 78 78 LEU HD23 H 1 0.744 0.006 . 1 . . . . 78 LEU QD2 . 16711 1
878 . 1 1 78 78 LEU HG H 1 1.908 0.006 . 1 . . . . 78 LEU HG . 16711 1
879 . 1 1 78 78 LEU CA C 13 58.015 0.16 . 1 . . . . 78 LEU CA . 16711 1
880 . 1 1 78 78 LEU CB C 13 42.283 0.16 . 1 . . . . 78 LEU CB . 16711 1
881 . 1 1 78 78 LEU CD1 C 13 23.575 0.16 . 2 . . . . 78 LEU CD1 . 16711 1
882 . 1 1 78 78 LEU CD2 C 13 26.152 0.16 . 2 . . . . 78 LEU CD2 . 16711 1
883 . 1 1 78 78 LEU CG C 13 27.837 0.16 . 1 . . . . 78 LEU CG . 16711 1
884 . 1 1 78 78 LEU N N 15 119.496 0.12 . 1 . . . . 78 LEU N . 16711 1
885 . 1 1 79 79 ASP H H 1 7.552 0.006 . 1 . . . . 79 ASP H . 16711 1
886 . 1 1 79 79 ASP HA H 1 4.128 0.006 . 1 . . . . 79 ASP HA . 16711 1
887 . 1 1 79 79 ASP HB2 H 1 3.147 0.006 . 2 . . . . 79 ASP HB2 . 16711 1
888 . 1 1 79 79 ASP HB3 H 1 2.716 0.006 . 2 . . . . 79 ASP HB3 . 16711 1
889 . 1 1 79 79 ASP CA C 13 58.118 0.16 . 1 . . . . 79 ASP CA . 16711 1
890 . 1 1 79 79 ASP CB C 13 41.276 0.16 . 1 . . . . 79 ASP CB . 16711 1
891 . 1 1 79 79 ASP N N 15 121.216 0.12 . 1 . . . . 79 ASP N . 16711 1
892 . 1 1 80 80 ASN H H 1 6.994 0.006 . 1 . . . . 80 ASN H . 16711 1
893 . 1 1 80 80 ASN HA H 1 4.355 0.006 . 1 . . . . 80 ASN HA . 16711 1
894 . 1 1 80 80 ASN HB2 H 1 2.865 0.006 . 2 . . . . 80 ASN HB2 . 16711 1
895 . 1 1 80 80 ASN HB3 H 1 2.964 0.006 . 2 . . . . 80 ASN HB3 . 16711 1
896 . 1 1 80 80 ASN HD21 H 1 7.588 0.006 . 2 . . . . 80 ASN HD21 . 16711 1
897 . 1 1 80 80 ASN HD22 H 1 7.189 0.006 . 2 . . . . 80 ASN HD22 . 16711 1
898 . 1 1 80 80 ASN CA C 13 56.246 0.16 . 1 . . . . 80 ASN CA . 16711 1
899 . 1 1 80 80 ASN CB C 13 38.572 0.16 . 1 . . . . 80 ASN CB . 16711 1
900 . 1 1 80 80 ASN N N 15 117.127 0.12 . 1 . . . . 80 ASN N . 16711 1
901 . 1 1 80 80 ASN ND2 N 15 114.753 0.12 . 1 . . . . 80 ASN ND2 . 16711 1
902 . 1 1 81 81 THR H H 1 8.569 0.006 . 1 . . . . 81 THR H . 16711 1
903 . 1 1 81 81 THR HA H 1 3.739 0.006 . 1 . . . . 81 THR HA . 16711 1
904 . 1 1 81 81 THR HB H 1 4.127 0.006 . 1 . . . . 81 THR HB . 16711 1
905 . 1 1 81 81 THR HG21 H 1 1.041 0.006 . 1 . . . . 81 THR QG2 . 16711 1
906 . 1 1 81 81 THR HG22 H 1 1.041 0.006 . 1 . . . . 81 THR QG2 . 16711 1
907 . 1 1 81 81 THR HG23 H 1 1.041 0.006 . 1 . . . . 81 THR QG2 . 16711 1
908 . 1 1 81 81 THR CA C 13 67.230 0.16 . 1 . . . . 81 THR CA . 16711 1
909 . 1 1 81 81 THR CB C 13 68.893 0.16 . 1 . . . . 81 THR CB . 16711 1
910 . 1 1 81 81 THR CG2 C 13 22.590 0.16 . 1 . . . . 81 THR CG2 . 16711 1
911 . 1 1 81 81 THR N N 15 118.300 0.12 . 1 . . . . 81 THR N . 16711 1
912 . 1 1 82 82 ILE H H 1 8.303 0.006 . 1 . . . . 82 ILE H . 16711 1
913 . 1 1 82 82 ILE HA H 1 4.009 0.006 . 1 . . . . 82 ILE HA . 16711 1
914 . 1 1 82 82 ILE HB H 1 1.377 0.006 . 1 . . . . 82 ILE HB . 16711 1
915 . 1 1 82 82 ILE HD11 H 1 0.605 0.006 . 1 . . . . 82 ILE QD1 . 16711 1
916 . 1 1 82 82 ILE HD12 H 1 0.605 0.006 . 1 . . . . 82 ILE QD1 . 16711 1
917 . 1 1 82 82 ILE HD13 H 1 0.605 0.006 . 1 . . . . 82 ILE QD1 . 16711 1
918 . 1 1 82 82 ILE HG12 H 1 0.703 0.006 . 2 . . . . 82 ILE HG12 . 16711 1
919 . 1 1 82 82 ILE HG13 H 1 0.656 0.006 . 2 . . . . 82 ILE HG13 . 16711 1
920 . 1 1 82 82 ILE HG21 H 1 0.448 0.006 . 1 . . . . 82 ILE QG2 . 16711 1
921 . 1 1 82 82 ILE HG22 H 1 0.448 0.006 . 1 . . . . 82 ILE QG2 . 16711 1
922 . 1 1 82 82 ILE HG23 H 1 0.448 0.006 . 1 . . . . 82 ILE QG2 . 16711 1
923 . 1 1 82 82 ILE CA C 13 61.300 0.16 . 1 . . . . 82 ILE CA . 16711 1
924 . 1 1 82 82 ILE CB C 13 37.997 0.16 . 1 . . . . 82 ILE CB . 16711 1
925 . 1 1 82 82 ILE CD1 C 13 13.349 0.16 . 1 . . . . 82 ILE CD1 . 16711 1
926 . 1 1 82 82 ILE CG1 C 13 29.269 0.16 . 1 . . . . 82 ILE CG1 . 16711 1
927 . 1 1 82 82 ILE CG2 C 13 18.956 0.16 . 1 . . . . 82 ILE CG2 . 16711 1
928 . 1 1 82 82 ILE N N 15 119.470 0.12 . 1 . . . . 82 ILE N . 16711 1
929 . 1 1 83 83 SER H H 1 6.811 0.006 . 1 . . . . 83 SER H . 16711 1
930 . 1 1 83 83 SER HA H 1 3.768 0.006 . 1 . . . . 83 SER HA . 16711 1
931 . 1 1 83 83 SER HB2 H 1 3.852 0.006 . 2 . . . . 83 SER HB2 . 16711 1
932 . 1 1 83 83 SER HB3 H 1 3.764 0.006 . 2 . . . . 83 SER HB3 . 16711 1
933 . 1 1 83 83 SER CA C 13 61.802 0.16 . 1 . . . . 83 SER CA . 16711 1
934 . 1 1 83 83 SER CB C 13 63.095 0.16 . 1 . . . . 83 SER CB . 16711 1
935 . 1 1 83 83 SER N N 15 117.139 0.12 . 1 . . . . 83 SER N . 16711 1
936 . 1 1 84 84 GLU H H 1 8.058 0.006 . 1 . . . . 84 GLU H . 16711 1
937 . 1 1 84 84 GLU HA H 1 3.939 0.006 . 1 . . . . 84 GLU HA . 16711 1
938 . 1 1 84 84 GLU HB2 H 1 2.004 0.006 . 2 . . . . 84 GLU HB2 . 16711 1
939 . 1 1 84 84 GLU HB3 H 1 2.038 0.006 . 2 . . . . 84 GLU HB3 . 16711 1
940 . 1 1 84 84 GLU HG2 H 1 2.267 0.006 . 2 . . . . 84 GLU HG2 . 16711 1
941 . 1 1 84 84 GLU HG3 H 1 2.147 0.006 . 2 . . . . 84 GLU HG3 . 16711 1
942 . 1 1 84 84 GLU CA C 13 59.735 0.16 . 1 . . . . 84 GLU CA . 16711 1
943 . 1 1 84 84 GLU CB C 13 30.093 0.16 . 1 . . . . 84 GLU CB . 16711 1
944 . 1 1 84 84 GLU CG C 13 36.566 0.16 . 1 . . . . 84 GLU CG . 16711 1
945 . 1 1 84 84 GLU N N 15 120.389 0.12 . 1 . . . . 84 GLU N . 16711 1
946 . 1 1 85 85 MET H H 1 8.355 0.006 . 1 . . . . 85 MET H . 16711 1
947 . 1 1 85 85 MET HA H 1 3.836 0.006 . 1 . . . . 85 MET HA . 16711 1
948 . 1 1 85 85 MET HB2 H 1 1.784 0.006 . 2 . . . . 85 MET HB2 . 16711 1
949 . 1 1 85 85 MET HB3 H 1 1.898 0.006 . 2 . . . . 85 MET HB3 . 16711 1
950 . 1 1 85 85 MET HE1 H 1 1.806 0.006 . 1 . . . . 85 MET QE . 16711 1
951 . 1 1 85 85 MET HE2 H 1 1.806 0.006 . 1 . . . . 85 MET QE . 16711 1
952 . 1 1 85 85 MET HE3 H 1 1.806 0.006 . 1 . . . . 85 MET QE . 16711 1
953 . 1 1 85 85 MET HG2 H 1 2.784 0.006 . 2 . . . . 85 MET HG2 . 16711 1
954 . 1 1 85 85 MET HG3 H 1 2.272 0.006 . 2 . . . . 85 MET HG3 . 16711 1
955 . 1 1 85 85 MET CA C 13 60.348 0.16 . 1 . . . . 85 MET CA . 16711 1
956 . 1 1 85 85 MET CB C 13 34.839 0.16 . 1 . . . . 85 MET CB . 16711 1
957 . 1 1 85 85 MET CE C 13 17.387 0.16 . 1 . . . . 85 MET CE . 16711 1
958 . 1 1 85 85 MET CG C 13 32.183 0.16 . 1 . . . . 85 MET CG . 16711 1
959 . 1 1 85 85 MET N N 15 118.015 0.12 . 1 . . . . 85 MET N . 16711 1
960 . 1 1 86 86 LEU H H 1 7.714 0.006 . 1 . . . . 86 LEU H . 16711 1
961 . 1 1 86 86 LEU HA H 1 4.169 0.006 . 1 . . . . 86 LEU HA . 16711 1
962 . 1 1 86 86 LEU HB2 H 1 1.313 0.006 . 2 . . . . 86 LEU HB2 . 16711 1
963 . 1 1 86 86 LEU HB3 H 1 1.662 0.006 . 2 . . . . 86 LEU HB3 . 16711 1
964 . 1 1 86 86 LEU HD11 H 1 0.501 0.006 . 1 . . . . 86 LEU QD1 . 16711 1
965 . 1 1 86 86 LEU HD12 H 1 0.501 0.006 . 1 . . . . 86 LEU QD1 . 16711 1
966 . 1 1 86 86 LEU HD13 H 1 0.501 0.006 . 1 . . . . 86 LEU QD1 . 16711 1
967 . 1 1 86 86 LEU HD21 H 1 0.468 0.006 . 1 . . . . 86 LEU QD2 . 16711 1
968 . 1 1 86 86 LEU HD22 H 1 0.468 0.006 . 1 . . . . 86 LEU QD2 . 16711 1
969 . 1 1 86 86 LEU HD23 H 1 0.468 0.006 . 1 . . . . 86 LEU QD2 . 16711 1
970 . 1 1 86 86 LEU HG H 1 1.659 0.006 . 1 . . . . 86 LEU HG . 16711 1
971 . 1 1 86 86 LEU CA C 13 56.521 0.16 . 1 . . . . 86 LEU CA . 16711 1
972 . 1 1 86 86 LEU CB C 13 40.622 0.16 . 1 . . . . 86 LEU CB . 16711 1
973 . 1 1 86 86 LEU CD1 C 13 21.952 0.16 . 2 . . . . 86 LEU CD1 . 16711 1
974 . 1 1 86 86 LEU CD2 C 13 26.346 0.16 . 2 . . . . 86 LEU CD2 . 16711 1
975 . 1 1 86 86 LEU CG C 13 27.193 0.16 . 1 . . . . 86 LEU CG . 16711 1
976 . 1 1 86 86 LEU N N 15 113.334 0.12 . 1 . . . . 86 LEU N . 16711 1
977 . 1 1 87 87 LYS H H 1 7.522 0.006 . 1 . . . . 87 LYS H . 16711 1
978 . 1 1 87 87 LYS HA H 1 4.205 0.006 . 1 . . . . 87 LYS HA . 16711 1
979 . 1 1 87 87 LYS HB2 H 1 1.866 0.006 . 2 . . . . 87 LYS HB2 . 16711 1
980 . 1 1 87 87 LYS HB3 H 1 1.921 0.006 . 2 . . . . 87 LYS HB3 . 16711 1
981 . 1 1 87 87 LYS HD2 H 1 1.630 0.006 . 2 . . . . 87 LYS QD . 16711 1
982 . 1 1 87 87 LYS HD3 H 1 1.630 0.006 . 2 . . . . 87 LYS QD . 16711 1
983 . 1 1 87 87 LYS HE2 H 1 2.903 0.006 . 2 . . . . 87 LYS QE . 16711 1
984 . 1 1 87 87 LYS HE3 H 1 2.903 0.006 . 2 . . . . 87 LYS QE . 16711 1
985 . 1 1 87 87 LYS HG2 H 1 1.528 0.006 . 2 . . . . 87 LYS HG2 . 16711 1
986 . 1 1 87 87 LYS HG3 H 1 1.351 0.006 . 2 . . . . 87 LYS HG3 . 16711 1
987 . 1 1 87 87 LYS CA C 13 59.154 0.16 . 1 . . . . 87 LYS CA . 16711 1
988 . 1 1 87 87 LYS CB C 13 33.260 0.16 . 1 . . . . 87 LYS CB . 16711 1
989 . 1 1 87 87 LYS CD C 13 29.768 0.16 . 1 . . . . 87 LYS CD . 16711 1
990 . 1 1 87 87 LYS CE C 13 42.436 0.16 . 1 . . . . 87 LYS CE . 16711 1
991 . 1 1 87 87 LYS CG C 13 25.629 0.16 . 1 . . . . 87 LYS CG . 16711 1
992 . 1 1 87 87 LYS N N 15 118.833 0.12 . 1 . . . . 87 LYS N . 16711 1
993 . 1 1 88 88 GLU H H 1 7.790 0.006 . 1 . . . . 88 GLU H . 16711 1
994 . 1 1 88 88 GLU HA H 1 4.131 0.006 . 1 . . . . 88 GLU HA . 16711 1
995 . 1 1 88 88 GLU HB2 H 1 2.057 0.006 . 2 . . . . 88 GLU HB2 . 16711 1
996 . 1 1 88 88 GLU HB3 H 1 2.034 0.006 . 2 . . . . 88 GLU HB3 . 16711 1
997 . 1 1 88 88 GLU HG2 H 1 2.294 0.006 . 2 . . . . 88 GLU HG2 . 16711 1
998 . 1 1 88 88 GLU HG3 H 1 2.409 0.006 . 2 . . . . 88 GLU HG3 . 16711 1
999 . 1 1 88 88 GLU CA C 13 58.167 0.16 . 1 . . . . 88 GLU CA . 16711 1
1000 . 1 1 88 88 GLU CB C 13 30.908 0.16 . 1 . . . . 88 GLU CB . 16711 1
1001 . 1 1 88 88 GLU CG C 13 36.523 0.16 . 1 . . . . 88 GLU CG . 16711 1
1002 . 1 1 88 88 GLU N N 15 116.470 0.12 . 1 . . . . 88 GLU N . 16711 1
1003 . 1 1 89 89 GLY H H 1 7.865 0.006 . 1 . . . . 89 GLY H . 16711 1
1004 . 1 1 89 89 GLY HA2 H 1 4.171 0.006 . 2 . . . . 89 GLY HA2 . 16711 1
1005 . 1 1 89 89 GLY HA3 H 1 3.691 0.006 . 2 . . . . 89 GLY HA3 . 16711 1
1006 . 1 1 89 89 GLY CA C 13 45.349 0.16 . 1 . . . . 89 GLY CA . 16711 1
1007 . 1 1 89 89 GLY N N 15 109.172 0.12 . 1 . . . . 89 GLY N . 16711 1
1008 . 1 1 90 90 ALA H H 1 8.619 0.006 . 1 . . . . 90 ALA H . 16711 1
1009 . 1 1 90 90 ALA HA H 1 4.678 0.006 . 1 . . . . 90 ALA HA . 16711 1
1010 . 1 1 90 90 ALA HB1 H 1 1.050 0.006 . 1 . . . . 90 ALA QB . 16711 1
1011 . 1 1 90 90 ALA HB2 H 1 1.050 0.006 . 1 . . . . 90 ALA QB . 16711 1
1012 . 1 1 90 90 ALA HB3 H 1 1.050 0.006 . 1 . . . . 90 ALA QB . 16711 1
1013 . 1 1 90 90 ALA CA C 13 49.827 0.16 . 1 . . . . 90 ALA CA . 16711 1
1014 . 1 1 90 90 ALA CB C 13 21.447 0.16 . 1 . . . . 90 ALA CB . 16711 1
1015 . 1 1 90 90 ALA N N 15 128.022 0.12 . 1 . . . . 90 ALA N . 16711 1
1016 . 1 1 91 91 GLN H H 1 9.272 0.006 . 1 . . . . 91 GLN H . 16711 1
1017 . 1 1 91 91 GLN HA H 1 4.429 0.006 . 1 . . . . 91 GLN HA . 16711 1
1018 . 1 1 91 91 GLN HB2 H 1 1.985 0.006 . 2 . . . . 91 GLN HB2 . 16711 1
1019 . 1 1 91 91 GLN HB3 H 1 2.044 0.006 . 2 . . . . 91 GLN HB3 . 16711 1
1020 . 1 1 91 91 GLN HE21 H 1 6.861 0.006 . 2 . . . . 91 GLN HE21 . 16711 1
1021 . 1 1 91 91 GLN HE22 H 1 7.569 0.006 . 2 . . . . 91 GLN HE22 . 16711 1
1022 . 1 1 91 91 GLN HG2 H 1 2.379 0.006 . 2 . . . . 91 GLN QG . 16711 1
1023 . 1 1 91 91 GLN HG3 H 1 2.379 0.006 . 2 . . . . 91 GLN QG . 16711 1
1024 . 1 1 91 91 GLN CA C 13 56.206 0.16 . 1 . . . . 91 GLN CA . 16711 1
1025 . 1 1 91 91 GLN CB C 13 29.223 0.16 . 1 . . . . 91 GLN CB . 16711 1
1026 . 1 1 91 91 GLN CG C 13 34.196 0.16 . 1 . . . . 91 GLN CG . 16711 1
1027 . 1 1 91 91 GLN N N 15 123.506 0.12 . 1 . . . . 91 GLN N . 16711 1
1028 . 1 1 91 91 GLN NE2 N 15 112.870 0.12 . 1 . . . . 91 GLN NE2 . 16711 1
1029 . 1 1 92 92 VAL H H 1 8.277 0.006 . 1 . . . . 92 VAL H . 16711 1
1030 . 1 1 92 92 VAL HA H 1 4.931 0.006 . 1 . . . . 92 VAL HA . 16711 1
1031 . 1 1 92 92 VAL HB H 1 1.653 0.006 . 1 . . . . 92 VAL HB . 16711 1
1032 . 1 1 92 92 VAL HG11 H 1 0.590 0.006 . 1 . . . . 92 VAL QG1 . 16711 1
1033 . 1 1 92 92 VAL HG12 H 1 0.590 0.006 . 1 . . . . 92 VAL QG1 . 16711 1
1034 . 1 1 92 92 VAL HG13 H 1 0.590 0.006 . 1 . . . . 92 VAL QG1 . 16711 1
1035 . 1 1 92 92 VAL HG21 H 1 0.685 0.006 . 1 . . . . 92 VAL QG2 . 16711 1
1036 . 1 1 92 92 VAL HG22 H 1 0.685 0.006 . 1 . . . . 92 VAL QG2 . 16711 1
1037 . 1 1 92 92 VAL HG23 H 1 0.685 0.006 . 1 . . . . 92 VAL QG2 . 16711 1
1038 . 1 1 92 92 VAL CA C 13 60.912 0.16 . 1 . . . . 92 VAL CA . 16711 1
1039 . 1 1 92 92 VAL CB C 13 34.088 0.16 . 1 . . . . 92 VAL CB . 16711 1
1040 . 1 1 92 92 VAL CG1 C 13 22.937 0.16 . 2 . . . . 92 VAL CG1 . 16711 1
1041 . 1 1 92 92 VAL CG2 C 13 23.223 0.16 . 2 . . . . 92 VAL CG2 . 16711 1
1042 . 1 1 92 92 VAL N N 15 123.642 0.12 . 1 . . . . 92 VAL N . 16711 1
1043 . 1 1 93 93 ASP H H 1 8.573 0.006 . 1 . . . . 93 ASP H . 16711 1
1044 . 1 1 93 93 ASP HA H 1 4.738 0.006 . 1 . . . . 93 ASP HA . 16711 1
1045 . 1 1 93 93 ASP HB2 H 1 2.475 0.006 . 2 . . . . 93 ASP HB2 . 16711 1
1046 . 1 1 93 93 ASP HB3 H 1 2.436 0.006 . 2 . . . . 93 ASP HB3 . 16711 1
1047 . 1 1 93 93 ASP CA C 13 53.395 0.16 . 1 . . . . 93 ASP CA . 16711 1
1048 . 1 1 93 93 ASP CB C 13 45.850 0.16 . 1 . . . . 93 ASP CB . 16711 1
1049 . 1 1 93 93 ASP N N 15 125.746 0.12 . 1 . . . . 93 ASP N . 16711 1
1050 . 1 1 94 94 LEU H H 1 8.127 0.006 . 1 . . . . 94 LEU H . 16711 1
1051 . 1 1 94 94 LEU HA H 1 5.216 0.006 . 1 . . . . 94 LEU HA . 16711 1
1052 . 1 1 94 94 LEU HB2 H 1 0.858 0.006 . 2 . . . . 94 LEU HB2 . 16711 1
1053 . 1 1 94 94 LEU HB3 H 1 1.696 0.006 . 2 . . . . 94 LEU HB3 . 16711 1
1054 . 1 1 94 94 LEU HD11 H 1 0.705 0.006 . 1 . . . . 94 LEU QD1 . 16711 1
1055 . 1 1 94 94 LEU HD12 H 1 0.705 0.006 . 1 . . . . 94 LEU QD1 . 16711 1
1056 . 1 1 94 94 LEU HD13 H 1 0.705 0.006 . 1 . . . . 94 LEU QD1 . 16711 1
1057 . 1 1 94 94 LEU HD21 H 1 0.728 0.006 . 1 . . . . 94 LEU QD2 . 16711 1
1058 . 1 1 94 94 LEU HD22 H 1 0.728 0.006 . 1 . . . . 94 LEU QD2 . 16711 1
1059 . 1 1 94 94 LEU HD23 H 1 0.728 0.006 . 1 . . . . 94 LEU QD2 . 16711 1
1060 . 1 1 94 94 LEU HG H 1 1.349 0.006 . 1 . . . . 94 LEU HG . 16711 1
1061 . 1 1 94 94 LEU CA C 13 54.411 0.16 . 1 . . . . 94 LEU CA . 16711 1
1062 . 1 1 94 94 LEU CB C 13 45.517 0.16 . 1 . . . . 94 LEU CB . 16711 1
1063 . 1 1 94 94 LEU CD1 C 13 24.050 0.16 . 2 . . . . 94 LEU CD1 . 16711 1
1064 . 1 1 94 94 LEU CD2 C 13 26.947 0.16 . 2 . . . . 94 LEU CD2 . 16711 1
1065 . 1 1 94 94 LEU CG C 13 27.644 0.16 . 1 . . . . 94 LEU CG . 16711 1
1066 . 1 1 94 94 LEU N N 15 126.738 0.12 . 1 . . . . 94 LEU N . 16711 1
1067 . 1 1 95 95 THR H H 1 8.458 0.006 . 1 . . . . 95 THR H . 16711 1
1068 . 1 1 95 95 THR HA H 1 4.389 0.006 . 1 . . . . 95 THR HA . 16711 1
1069 . 1 1 95 95 THR HB H 1 4.022 0.006 . 1 . . . . 95 THR HB . 16711 1
1070 . 1 1 95 95 THR HG21 H 1 1.126 0.006 . 1 . . . . 95 THR QG2 . 16711 1
1071 . 1 1 95 95 THR HG22 H 1 1.126 0.006 . 1 . . . . 95 THR QG2 . 16711 1
1072 . 1 1 95 95 THR HG23 H 1 1.126 0.006 . 1 . . . . 95 THR QG2 . 16711 1
1073 . 1 1 95 95 THR CA C 13 61.842 0.16 . 1 . . . . 95 THR CA . 16711 1
1074 . 1 1 95 95 THR CB C 13 71.072 0.16 . 1 . . . . 95 THR CB . 16711 1
1075 . 1 1 95 95 THR CG2 C 13 21.629 0.16 . 1 . . . . 95 THR CG2 . 16711 1
1076 . 1 1 95 95 THR N N 15 122.685 0.12 . 1 . . . . 95 THR N . 16711 1
1077 . 1 1 96 96 ALA H H 1 9.138 0.006 . 1 . . . . 96 ALA H . 16711 1
1078 . 1 1 96 96 ALA HA H 1 3.888 0.006 . 1 . . . . 96 ALA HA . 16711 1
1079 . 1 1 96 96 ALA HB1 H 1 1.390 0.006 . 1 . . . . 96 ALA QB . 16711 1
1080 . 1 1 96 96 ALA HB2 H 1 1.390 0.006 . 1 . . . . 96 ALA QB . 16711 1
1081 . 1 1 96 96 ALA HB3 H 1 1.390 0.006 . 1 . . . . 96 ALA QB . 16711 1
1082 . 1 1 96 96 ALA CA C 13 54.363 0.16 . 1 . . . . 96 ALA CA . 16711 1
1083 . 1 1 96 96 ALA CB C 13 17.226 0.16 . 1 . . . . 96 ALA CB . 16711 1
1084 . 1 1 96 96 ALA N N 15 129.444 0.12 . 1 . . . . 96 ALA N . 16711 1
1085 . 1 1 97 97 ASN H H 1 8.364 0.006 . 1 . . . . 97 ASN H . 16711 1
1086 . 1 1 97 97 ASN HA H 1 4.553 0.006 . 1 . . . . 97 ASN HA . 16711 1
1087 . 1 1 97 97 ASN HB2 H 1 2.995 0.006 . 2 . . . . 97 ASN HB2 . 16711 1
1088 . 1 1 97 97 ASN HB3 H 1 3.139 0.006 . 2 . . . . 97 ASN HB3 . 16711 1
1089 . 1 1 97 97 ASN HD21 H 1 6.882 0.006 . 2 . . . . 97 ASN HD21 . 16711 1
1090 . 1 1 97 97 ASN HD22 H 1 7.594 0.006 . 2 . . . . 97 ASN HD22 . 16711 1
1091 . 1 1 97 97 ASN CA C 13 53.920 0.16 . 1 . . . . 97 ASN CA . 16711 1
1092 . 1 1 97 97 ASN CB C 13 38.674 0.16 . 1 . . . . 97 ASN CB . 16711 1
1093 . 1 1 97 97 ASN N N 15 113.178 0.12 . 1 . . . . 97 ASN N . 16711 1
1094 . 1 1 97 97 ASN ND2 N 15 112.419 0.12 . 1 . . . . 97 ASN ND2 . 16711 1
1095 . 1 1 98 98 GLN H H 1 8.237 0.006 . 1 . . . . 98 GLN H . 16711 1
1096 . 1 1 98 98 GLN HA H 1 5.204 0.006 . 1 . . . . 98 GLN HA . 16711 1
1097 . 1 1 98 98 GLN HB2 H 1 2.042 0.006 . 2 . . . . 98 GLN HB2 . 16711 1
1098 . 1 1 98 98 GLN HE21 H 1 7.552 0.006 . 2 . . . . 98 GLN HE21 . 16711 1
1099 . 1 1 98 98 GLN HE22 H 1 6.822 0.006 . 2 . . . . 98 GLN HE22 . 16711 1
1100 . 1 1 98 98 GLN HG2 H 1 2.060 0.006 . 2 . . . . 98 GLN HG2 . 16711 1
1101 . 1 1 98 98 GLN HG3 H 1 2.266 0.006 . 2 . . . . 98 GLN HG3 . 16711 1
1102 . 1 1 98 98 GLN CA C 13 55.402 0.16 . 1 . . . . 98 GLN CA . 16711 1
1103 . 1 1 98 98 GLN CB C 13 32.661 0.16 . 1 . . . . 98 GLN CB . 16711 1
1104 . 1 1 98 98 GLN CG C 13 35.196 0.16 . 1 . . . . 98 GLN CG . 16711 1
1105 . 1 1 98 98 GLN N N 15 119.283 0.12 . 1 . . . . 98 GLN N . 16711 1
1106 . 1 1 98 98 GLN NE2 N 15 112.348 0.12 . 1 . . . . 98 GLN NE2 . 16711 1
1107 . 1 1 99 99 LEU H H 1 8.874 0.006 . 1 . . . . 99 LEU H . 16711 1
1108 . 1 1 99 99 LEU HA H 1 5.106 0.006 . 1 . . . . 99 LEU HA . 16711 1
1109 . 1 1 99 99 LEU HB2 H 1 1.182 0.006 . 2 . . . . 99 LEU HB2 . 16711 1
1110 . 1 1 99 99 LEU HB3 H 1 0.595 0.006 . 2 . . . . 99 LEU HB3 . 16711 1
1111 . 1 1 99 99 LEU HD11 H 1 -0.387 0.006 . 1 . . . . 99 LEU QD1 . 16711 1
1112 . 1 1 99 99 LEU HD12 H 1 -0.387 0.006 . 1 . . . . 99 LEU QD1 . 16711 1
1113 . 1 1 99 99 LEU HD13 H 1 -0.387 0.006 . 1 . . . . 99 LEU QD1 . 16711 1
1114 . 1 1 99 99 LEU HD21 H 1 0.305 0.006 . 1 . . . . 99 LEU QD2 . 16711 1
1115 . 1 1 99 99 LEU HD22 H 1 0.305 0.006 . 1 . . . . 99 LEU QD2 . 16711 1
1116 . 1 1 99 99 LEU HD23 H 1 0.305 0.006 . 1 . . . . 99 LEU QD2 . 16711 1
1117 . 1 1 99 99 LEU HG H 1 0.897 0.006 . 1 . . . . 99 LEU HG . 16711 1
1118 . 1 1 99 99 LEU CA C 13 53.392 0.16 . 1 . . . . 99 LEU CA . 16711 1
1119 . 1 1 99 99 LEU CB C 13 46.147 0.16 . 1 . . . . 99 LEU CB . 16711 1
1120 . 1 1 99 99 LEU CD1 C 13 24.995 0.16 . 2 . . . . 99 LEU CD1 . 16711 1
1121 . 1 1 99 99 LEU CD2 C 13 24.827 0.16 . 2 . . . . 99 LEU CD2 . 16711 1
1122 . 1 1 99 99 LEU CG C 13 27.228 0.16 . 1 . . . . 99 LEU CG . 16711 1
1123 . 1 1 99 99 LEU N N 15 131.017 0.12 . 1 . . . . 99 LEU N . 16711 1
1124 . 1 1 100 100 THR H H 1 9.411 0.006 . 1 . . . . 100 THR H . 16711 1
1125 . 1 1 100 100 THR HA H 1 5.394 0.006 . 1 . . . . 100 THR HA . 16711 1
1126 . 1 1 100 100 THR HB H 1 3.879 0.006 . 1 . . . . 100 THR HB . 16711 1
1127 . 1 1 100 100 THR HG21 H 1 1.063 0.006 . 1 . . . . 100 THR QG2 . 16711 1
1128 . 1 1 100 100 THR HG22 H 1 1.063 0.006 . 1 . . . . 100 THR QG2 . 16711 1
1129 . 1 1 100 100 THR HG23 H 1 1.063 0.006 . 1 . . . . 100 THR QG2 . 16711 1
1130 . 1 1 100 100 THR CA C 13 61.842 0.16 . 1 . . . . 100 THR CA . 16711 1
1131 . 1 1 100 100 THR CB C 13 70.942 0.16 . 1 . . . . 100 THR CB . 16711 1
1132 . 1 1 100 100 THR CG2 C 13 22.131 0.16 . 1 . . . . 100 THR CG2 . 16711 1
1133 . 1 1 100 100 THR N N 15 124.083 0.12 . 1 . . . . 100 THR N . 16711 1
1134 . 1 1 101 101 LEU H H 1 8.942 0.006 . 1 . . . . 101 LEU H . 16711 1
1135 . 1 1 101 101 LEU HA H 1 5.078 0.006 . 1 . . . . 101 LEU HA . 16711 1
1136 . 1 1 101 101 LEU HB2 H 1 1.225 0.006 . 2 . . . . 101 LEU HB2 . 16711 1
1137 . 1 1 101 101 LEU HB3 H 1 1.682 0.006 . 2 . . . . 101 LEU HB3 . 16711 1
1138 . 1 1 101 101 LEU HD11 H 1 1.049 0.006 . 1 . . . . 101 LEU QD1 . 16711 1
1139 . 1 1 101 101 LEU HD12 H 1 1.049 0.006 . 1 . . . . 101 LEU QD1 . 16711 1
1140 . 1 1 101 101 LEU HD13 H 1 1.049 0.006 . 1 . . . . 101 LEU QD1 . 16711 1
1141 . 1 1 101 101 LEU HD21 H 1 0.674 0.006 . 1 . . . . 101 LEU QD2 . 16711 1
1142 . 1 1 101 101 LEU HD22 H 1 0.674 0.006 . 1 . . . . 101 LEU QD2 . 16711 1
1143 . 1 1 101 101 LEU HD23 H 1 0.674 0.006 . 1 . . . . 101 LEU QD2 . 16711 1
1144 . 1 1 101 101 LEU HG H 1 1.500 0.006 . 1 . . . . 101 LEU HG . 16711 1
1145 . 1 1 101 101 LEU CA C 13 53.702 0.16 . 1 . . . . 101 LEU CA . 16711 1
1146 . 1 1 101 101 LEU CB C 13 45.413 0.16 . 1 . . . . 101 LEU CB . 16711 1
1147 . 1 1 101 101 LEU CD1 C 13 21.475 0.16 . 2 . . . . 101 LEU CD1 . 16711 1
1148 . 1 1 101 101 LEU CD2 C 13 25.689 0.16 . 2 . . . . 101 LEU CD2 . 16711 1
1149 . 1 1 101 101 LEU CG C 13 28.279 0.16 . 1 . . . . 101 LEU CG . 16711 1
1150 . 1 1 101 101 LEU N N 15 125.577 0.12 . 1 . . . . 101 LEU N . 16711 1
1151 . 1 1 102 102 ALA H H 1 8.863 0.006 . 1 . . . . 102 ALA H . 16711 1
1152 . 1 1 102 102 ALA HA H 1 5.530 0.006 . 1 . . . . 102 ALA HA . 16711 1
1153 . 1 1 102 102 ALA HB1 H 1 1.320 0.006 . 1 . . . . 102 ALA QB . 16711 1
1154 . 1 1 102 102 ALA HB2 H 1 1.320 0.006 . 1 . . . . 102 ALA QB . 16711 1
1155 . 1 1 102 102 ALA HB3 H 1 1.320 0.006 . 1 . . . . 102 ALA QB . 16711 1
1156 . 1 1 102 102 ALA CA C 13 51.868 0.16 . 1 . . . . 102 ALA CA . 16711 1
1157 . 1 1 102 102 ALA CB C 13 24.078 0.16 . 1 . . . . 102 ALA CB . 16711 1
1158 . 1 1 102 102 ALA N N 15 124.662 0.12 . 1 . . . . 102 ALA N . 16711 1
1159 . 1 1 103 103 THR H H 1 9.049 0.006 . 1 . . . . 103 THR H . 16711 1
1160 . 1 1 103 103 THR HA H 1 4.828 0.006 . 1 . . . . 103 THR HA . 16711 1
1161 . 1 1 103 103 THR HB H 1 4.689 0.006 . 1 . . . . 103 THR HB . 16711 1
1162 . 1 1 103 103 THR HG21 H 1 1.328 0.006 . 1 . . . . 103 THR QG2 . 16711 1
1163 . 1 1 103 103 THR HG22 H 1 1.328 0.006 . 1 . . . . 103 THR QG2 . 16711 1
1164 . 1 1 103 103 THR HG23 H 1 1.328 0.006 . 1 . . . . 103 THR QG2 . 16711 1
1165 . 1 1 103 103 THR CA C 13 59.818 0.16 . 1 . . . . 103 THR CA . 16711 1
1166 . 1 1 103 103 THR CB C 13 72.020 0.16 . 1 . . . . 103 THR CB . 16711 1
1167 . 1 1 103 103 THR CG2 C 13 23.510 0.16 . 1 . . . . 103 THR CG2 . 16711 1
1168 . 1 1 103 103 THR N N 15 113.849 0.12 . 1 . . . . 103 THR N . 16711 1
1169 . 1 1 104 104 ALA H H 1 8.731 0.006 . 1 . . . . 104 ALA H . 16711 1
1170 . 1 1 104 104 ALA HA H 1 4.071 0.006 . 1 . . . . 104 ALA HA . 16711 1
1171 . 1 1 104 104 ALA HB1 H 1 1.392 0.006 . 1 . . . . 104 ALA QB . 16711 1
1172 . 1 1 104 104 ALA HB2 H 1 1.392 0.006 . 1 . . . . 104 ALA QB . 16711 1
1173 . 1 1 104 104 ALA HB3 H 1 1.392 0.006 . 1 . . . . 104 ALA QB . 16711 1
1174 . 1 1 104 104 ALA CA C 13 55.177 0.16 . 1 . . . . 104 ALA CA . 16711 1
1175 . 1 1 104 104 ALA CB C 13 18.679 0.16 . 1 . . . . 104 ALA CB . 16711 1
1176 . 1 1 104 104 ALA N N 15 120.571 0.12 . 1 . . . . 104 ALA N . 16711 1
1177 . 1 1 105 105 LYS H H 1 7.780 0.006 . 1 . . . . 105 LYS H . 16711 1
1178 . 1 1 105 105 LYS HA H 1 4.351 0.006 . 1 . . . . 105 LYS HA . 16711 1
1179 . 1 1 105 105 LYS HB2 H 1 1.650 0.006 . 2 . . . . 105 LYS HB2 . 16711 1
1180 . 1 1 105 105 LYS HB3 H 1 1.844 0.006 . 2 . . . . 105 LYS HB3 . 16711 1
1181 . 1 1 105 105 LYS HE2 H 1 2.904 0.006 . 2 . . . . 105 LYS QE . 16711 1
1182 . 1 1 105 105 LYS HE3 H 1 2.904 0.006 . 2 . . . . 105 LYS QE . 16711 1
1183 . 1 1 105 105 LYS HG2 H 1 1.303 0.006 . 2 . . . . 105 LYS HG2 . 16711 1
1184 . 1 1 105 105 LYS HG3 H 1 1.365 0.006 . 2 . . . . 105 LYS HG3 . 16711 1
1185 . 1 1 105 105 LYS CA C 13 56.651 0.16 . 1 . . . . 105 LYS CA . 16711 1
1186 . 1 1 105 105 LYS CB C 13 35.561 0.16 . 1 . . . . 105 LYS CB . 16711 1
1187 . 1 1 105 105 LYS CE C 13 42.424 0.16 . 1 . . . . 105 LYS CE . 16711 1
1188 . 1 1 105 105 LYS CG C 13 25.533 0.16 . 1 . . . . 105 LYS CG . 16711 1
1189 . 1 1 105 105 LYS N N 15 112.145 0.12 . 1 . . . . 105 LYS N . 16711 1
1190 . 1 1 106 106 GLN H H 1 7.307 0.006 . 1 . . . . 106 GLN H . 16711 1
1191 . 1 1 106 106 GLN HA H 1 5.096 0.006 . 1 . . . . 106 GLN HA . 16711 1
1192 . 1 1 106 106 GLN HB2 H 1 2.197 0.006 . 2 . . . . 106 GLN HB2 . 16711 1
1193 . 1 1 106 106 GLN HB3 H 1 2.061 0.006 . 2 . . . . 106 GLN HB3 . 16711 1
1194 . 1 1 106 106 GLN HE21 H 1 6.543 0.006 . 2 . . . . 106 GLN HE21 . 16711 1
1195 . 1 1 106 106 GLN HE22 H 1 7.180 0.006 . 2 . . . . 106 GLN HE22 . 16711 1
1196 . 1 1 106 106 GLN HG2 H 1 1.949 0.006 . 2 . . . . 106 GLN HG2 . 16711 1
1197 . 1 1 106 106 GLN HG3 H 1 1.669 0.006 . 2 . . . . 106 GLN HG3 . 16711 1
1198 . 1 1 106 106 GLN CA C 13 54.616 0.16 . 1 . . . . 106 GLN CA . 16711 1
1199 . 1 1 106 106 GLN CB C 13 32.855 0.16 . 1 . . . . 106 GLN CB . 16711 1
1200 . 1 1 106 106 GLN CG C 13 32.999 0.16 . 1 . . . . 106 GLN CG . 16711 1
1201 . 1 1 106 106 GLN N N 15 117.008 0.12 . 1 . . . . 106 GLN N . 16711 1
1202 . 1 1 106 106 GLN NE2 N 15 109.923 0.12 . 1 . . . . 106 GLN NE2 . 16711 1
1203 . 1 1 107 107 THR H H 1 8.540 0.006 . 1 . . . . 107 THR H . 16711 1
1204 . 1 1 107 107 THR HA H 1 4.990 0.006 . 1 . . . . 107 THR HA . 16711 1
1205 . 1 1 107 107 THR HB H 1 3.837 0.006 . 1 . . . . 107 THR HB . 16711 1
1206 . 1 1 107 107 THR HG21 H 1 1.050 0.006 . 1 . . . . 107 THR QG2 . 16711 1
1207 . 1 1 107 107 THR HG22 H 1 1.050 0.006 . 1 . . . . 107 THR QG2 . 16711 1
1208 . 1 1 107 107 THR HG23 H 1 1.050 0.006 . 1 . . . . 107 THR QG2 . 16711 1
1209 . 1 1 107 107 THR CA C 13 62.085 0.16 . 1 . . . . 107 THR CA . 16711 1
1210 . 1 1 107 107 THR CB C 13 71.760 0.16 . 1 . . . . 107 THR CB . 16711 1
1211 . 1 1 107 107 THR CG2 C 13 22.091 0.16 . 1 . . . . 107 THR CG2 . 16711 1
1212 . 1 1 107 107 THR N N 15 115.842 0.12 . 1 . . . . 107 THR N . 16711 1
1213 . 1 1 108 108 LEU H H 1 9.271 0.006 . 1 . . . . 108 LEU H . 16711 1
1214 . 1 1 108 108 LEU HA H 1 4.956 0.006 . 1 . . . . 108 LEU HA . 16711 1
1215 . 1 1 108 108 LEU HB2 H 1 1.804 0.006 . 2 . . . . 108 LEU HB2 . 16711 1
1216 . 1 1 108 108 LEU HB3 H 1 1.302 0.006 . 2 . . . . 108 LEU HB3 . 16711 1
1217 . 1 1 108 108 LEU HD11 H 1 0.852 0.006 . 1 . . . . 108 LEU QD1 . 16711 1
1218 . 1 1 108 108 LEU HD12 H 1 0.852 0.006 . 1 . . . . 108 LEU QD1 . 16711 1
1219 . 1 1 108 108 LEU HD13 H 1 0.852 0.006 . 1 . . . . 108 LEU QD1 . 16711 1
1220 . 1 1 108 108 LEU HD21 H 1 0.829 0.006 . 1 . . . . 108 LEU QD2 . 16711 1
1221 . 1 1 108 108 LEU HD22 H 1 0.829 0.006 . 1 . . . . 108 LEU QD2 . 16711 1
1222 . 1 1 108 108 LEU HD23 H 1 0.829 0.006 . 1 . . . . 108 LEU QD2 . 16711 1
1223 . 1 1 108 108 LEU HG H 1 1.490 0.006 . 1 . . . . 108 LEU HG . 16711 1
1224 . 1 1 108 108 LEU CA C 13 53.970 0.16 . 1 . . . . 108 LEU CA . 16711 1
1225 . 1 1 108 108 LEU CB C 13 45.767 0.16 . 1 . . . . 108 LEU CB . 16711 1
1226 . 1 1 108 108 LEU CD1 C 13 27.527 0.16 . 2 . . . . 108 LEU CD1 . 16711 1
1227 . 1 1 108 108 LEU CD2 C 13 25.230 0.16 . 2 . . . . 108 LEU CD2 . 16711 1
1228 . 1 1 108 108 LEU CG C 13 27.894 0.16 . 1 . . . . 108 LEU CG . 16711 1
1229 . 1 1 108 108 LEU N N 15 127.855 0.12 . 1 . . . . 108 LEU N . 16711 1
1230 . 1 1 109 109 THR H H 1 8.374 0.006 . 1 . . . . 109 THR H . 16711 1
1231 . 1 1 109 109 THR HA H 1 5.216 0.006 . 1 . . . . 109 THR HA . 16711 1
1232 . 1 1 109 109 THR HB H 1 3.912 0.006 . 1 . . . . 109 THR HB . 16711 1
1233 . 1 1 109 109 THR HG21 H 1 1.069 0.006 . 1 . . . . 109 THR QG2 . 16711 1
1234 . 1 1 109 109 THR HG22 H 1 1.069 0.006 . 1 . . . . 109 THR QG2 . 16711 1
1235 . 1 1 109 109 THR HG23 H 1 1.069 0.006 . 1 . . . . 109 THR QG2 . 16711 1
1236 . 1 1 109 109 THR CA C 13 62.333 0.16 . 1 . . . . 109 THR CA . 16711 1
1237 . 1 1 109 109 THR CB C 13 70.523 0.16 . 1 . . . . 109 THR CB . 16711 1
1238 . 1 1 109 109 THR CG2 C 13 22.297 0.16 . 1 . . . . 109 THR CG2 . 16711 1
1239 . 1 1 109 109 THR N N 15 116.534 0.12 . 1 . . . . 109 THR N . 16711 1
1240 . 1 1 110 110 TYR H H 1 10.100 0.006 . 1 . . . . 110 TYR H . 16711 1
1241 . 1 1 110 110 TYR HA H 1 5.309 0.006 . 1 . . . . 110 TYR HA . 16711 1
1242 . 1 1 110 110 TYR HB2 H 1 2.899 0.006 . 2 . . . . 110 TYR HB2 . 16711 1
1243 . 1 1 110 110 TYR HB3 H 1 2.964 0.006 . 2 . . . . 110 TYR HB3 . 16711 1
1244 . 1 1 110 110 TYR HD1 H 1 6.641 0.006 . 3 . . . . 110 TYR HD1 . 16711 1
1245 . 1 1 110 110 TYR HD2 H 1 6.734 0.006 . 3 . . . . 110 TYR HD2 . 16711 1
1246 . 1 1 110 110 TYR HE1 H 1 6.388 0.006 . 3 . . . . 110 TYR HE1 . 16711 1
1247 . 1 1 110 110 TYR HE2 H 1 6.388 0.006 . 3 . . . . 110 TYR HE2 . 16711 1
1248 . 1 1 110 110 TYR CA C 13 56.430 0.16 . 1 . . . . 110 TYR CA . 16711 1
1249 . 1 1 110 110 TYR CB C 13 44.317 0.16 . 1 . . . . 110 TYR CB . 16711 1
1250 . 1 1 110 110 TYR CD1 C 13 132.461 0.16 . 3 . . . . 110 TYR CD1 . 16711 1
1251 . 1 1 110 110 TYR CD2 C 13 132.461 0.16 . 3 . . . . 110 TYR CD2 . 16711 1
1252 . 1 1 110 110 TYR CE1 C 13 117.926 0.16 . 3 . . . . 110 TYR CE1 . 16711 1
1253 . 1 1 110 110 TYR CE2 C 13 116.256 0.16 . 3 . . . . 110 TYR CE2 . 16711 1
1254 . 1 1 110 110 TYR N N 15 125.993 0.12 . 1 . . . . 110 TYR N . 16711 1
1255 . 1 1 111 111 LYS H H 1 9.605 0.006 . 1 . . . . 111 LYS H . 16711 1
1256 . 1 1 111 111 LYS HA H 1 5.409 0.006 . 1 . . . . 111 LYS HA . 16711 1
1257 . 1 1 111 111 LYS HB2 H 1 1.826 0.006 . 2 . . . . 111 LYS HB2 . 16711 1
1258 . 1 1 111 111 LYS HD2 H 1 1.670 0.006 . 2 . . . . 111 LYS HD2 . 16711 1
1259 . 1 1 111 111 LYS HE2 H 1 2.912 0.006 . 2 . . . . 111 LYS QE . 16711 1
1260 . 1 1 111 111 LYS HE3 H 1 2.912 0.006 . 2 . . . . 111 LYS QE . 16711 1
1261 . 1 1 111 111 LYS HG3 H 1 1.443 0.006 . 2 . . . . 111 LYS HG3 . 16711 1
1262 . 1 1 111 111 LYS CA C 13 54.114 0.16 . 1 . . . . 111 LYS CA . 16711 1
1263 . 1 1 111 111 LYS CB C 13 35.944 0.16 . 1 . . . . 111 LYS CB . 16711 1
1264 . 1 1 111 111 LYS CD C 13 29.493 0.16 . 1 . . . . 111 LYS CD . 16711 1
1265 . 1 1 111 111 LYS CE C 13 42.424 0.16 . 1 . . . . 111 LYS CE . 16711 1
1266 . 1 1 111 111 LYS CG C 13 24.745 0.16 . 1 . . . . 111 LYS CG . 16711 1
1267 . 1 1 111 111 LYS N N 15 120.280 0.12 . 1 . . . . 111 LYS N . 16711 1
1268 . 1 1 112 112 LEU H H 1 8.506 0.006 . 1 . . . . 112 LEU H . 16711 1
1269 . 1 1 112 112 LEU HA H 1 3.785 0.006 . 1 . . . . 112 LEU HA . 16711 1
1270 . 1 1 112 112 LEU HB2 H 1 1.210 0.006 . 2 . . . . 112 LEU HB2 . 16711 1
1271 . 1 1 112 112 LEU HB3 H 1 1.718 0.006 . 2 . . . . 112 LEU HB3 . 16711 1
1272 . 1 1 112 112 LEU HD11 H 1 0.680 0.006 . 1 . . . . 112 LEU QD1 . 16711 1
1273 . 1 1 112 112 LEU HD12 H 1 0.680 0.006 . 1 . . . . 112 LEU QD1 . 16711 1
1274 . 1 1 112 112 LEU HD13 H 1 0.680 0.006 . 1 . . . . 112 LEU QD1 . 16711 1
1275 . 1 1 112 112 LEU HD21 H 1 0.333 0.006 . 1 . . . . 112 LEU QD2 . 16711 1
1276 . 1 1 112 112 LEU HD22 H 1 0.333 0.006 . 1 . . . . 112 LEU QD2 . 16711 1
1277 . 1 1 112 112 LEU HD23 H 1 0.333 0.006 . 1 . . . . 112 LEU QD2 . 16711 1
1278 . 1 1 112 112 LEU HG H 1 1.388 0.006 . 1 . . . . 112 LEU HG . 16711 1
1279 . 1 1 112 112 LEU CA C 13 57.623 0.16 . 1 . . . . 112 LEU CA . 16711 1
1280 . 1 1 112 112 LEU CB C 13 42.901 0.16 . 1 . . . . 112 LEU CB . 16711 1
1281 . 1 1 112 112 LEU CD1 C 13 26.326 0.16 . 2 . . . . 112 LEU CD1 . 16711 1
1282 . 1 1 112 112 LEU CD2 C 13 23.513 0.16 . 2 . . . . 112 LEU CD2 . 16711 1
1283 . 1 1 112 112 LEU CG C 13 27.152 0.16 . 1 . . . . 112 LEU CG . 16711 1
1284 . 1 1 112 112 LEU N N 15 126.477 0.12 . 1 . . . . 112 LEU N . 16711 1
1285 . 1 1 113 113 ALA H H 1 9.177 0.006 . 1 . . . . 113 ALA H . 16711 1
1286 . 1 1 113 113 ALA HA H 1 4.499 0.006 . 1 . . . . 113 ALA HA . 16711 1
1287 . 1 1 113 113 ALA HB1 H 1 1.155 0.006 . 1 . . . . 113 ALA QB . 16711 1
1288 . 1 1 113 113 ALA HB2 H 1 1.155 0.006 . 1 . . . . 113 ALA QB . 16711 1
1289 . 1 1 113 113 ALA HB3 H 1 1.155 0.006 . 1 . . . . 113 ALA QB . 16711 1
1290 . 1 1 113 113 ALA CA C 13 51.833 0.16 . 1 . . . . 113 ALA CA . 16711 1
1291 . 1 1 113 113 ALA CB C 13 20.328 0.16 . 1 . . . . 113 ALA CB . 16711 1
1292 . 1 1 113 113 ALA N N 15 133.192 0.12 . 1 . . . . 113 ALA N . 16711 1
1293 . 1 1 114 114 ASP H H 1 7.683 0.006 . 1 . . . . 114 ASP H . 16711 1
1294 . 1 1 114 114 ASP HA H 1 4.641 0.006 . 1 . . . . 114 ASP HA . 16711 1
1295 . 1 1 114 114 ASP HB2 H 1 2.663 0.006 . 2 . . . . 114 ASP HB2 . 16711 1
1296 . 1 1 114 114 ASP HB3 H 1 2.427 0.006 . 2 . . . . 114 ASP HB3 . 16711 1
1297 . 1 1 114 114 ASP CA C 13 55.918 0.16 . 1 . . . . 114 ASP CA . 16711 1
1298 . 1 1 114 114 ASP CB C 13 41.271 0.16 . 1 . . . . 114 ASP CB . 16711 1
1299 . 1 1 114 114 ASP N N 15 120.812 0.12 . 1 . . . . 114 ASP N . 16711 1
1300 . 1 1 115 115 LEU H H 1 8.421 0.006 . 1 . . . . 115 LEU H . 16711 1
1301 . 1 1 115 115 LEU HA H 1 4.294 0.006 . 1 . . . . 115 LEU HA . 16711 1
1302 . 1 1 115 115 LEU HB2 H 1 1.471 0.006 . 2 . . . . 115 LEU HB2 . 16711 1
1303 . 1 1 115 115 LEU HB3 H 1 1.581 0.006 . 2 . . . . 115 LEU HB3 . 16711 1
1304 . 1 1 115 115 LEU HD11 H 1 0.766 0.006 . 1 . . . . 115 LEU QD1 . 16711 1
1305 . 1 1 115 115 LEU HD12 H 1 0.766 0.006 . 1 . . . . 115 LEU QD1 . 16711 1
1306 . 1 1 115 115 LEU HD13 H 1 0.766 0.006 . 1 . . . . 115 LEU QD1 . 16711 1
1307 . 1 1 115 115 LEU HD21 H 1 0.820 0.006 . 1 . . . . 115 LEU QD2 . 16711 1
1308 . 1 1 115 115 LEU HD22 H 1 0.820 0.006 . 1 . . . . 115 LEU QD2 . 16711 1
1309 . 1 1 115 115 LEU HD23 H 1 0.820 0.006 . 1 . . . . 115 LEU QD2 . 16711 1
1310 . 1 1 115 115 LEU HG H 1 1.551 0.006 . 1 . . . . 115 LEU HG . 16711 1
1311 . 1 1 115 115 LEU CA C 13 55.132 0.16 . 1 . . . . 115 LEU CA . 16711 1
1312 . 1 1 115 115 LEU CB C 13 42.671 0.16 . 1 . . . . 115 LEU CB . 16711 1
1313 . 1 1 115 115 LEU CD1 C 13 23.346 0.16 . 2 . . . . 115 LEU CD1 . 16711 1
1314 . 1 1 115 115 LEU CD2 C 13 25.283 0.16 . 2 . . . . 115 LEU CD2 . 16711 1
1315 . 1 1 115 115 LEU CG C 13 27.273 0.16 . 1 . . . . 115 LEU CG . 16711 1
1316 . 1 1 115 115 LEU N N 15 121.673 0.12 . 1 . . . . 115 LEU N . 16711 1
1317 . 1 1 116 116 MET H H 1 8.289 0.006 . 1 . . . . 116 MET H . 16711 1
1318 . 1 1 116 116 MET HA H 1 4.423 0.006 . 1 . . . . 116 MET HA . 16711 1
1319 . 1 1 116 116 MET HB2 H 1 2.046 0.006 . 2 . . . . 116 MET HB2 . 16711 1
1320 . 1 1 116 116 MET HB3 H 1 1.898 0.006 . 2 . . . . 116 MET HB3 . 16711 1
1321 . 1 1 116 116 MET HE1 H 1 2.010 0.006 . 1 . . . . 116 MET QE . 16711 1
1322 . 1 1 116 116 MET HE2 H 1 2.010 0.006 . 1 . . . . 116 MET QE . 16711 1
1323 . 1 1 116 116 MET HE3 H 1 2.010 0.006 . 1 . . . . 116 MET QE . 16711 1
1324 . 1 1 116 116 MET HG2 H 1 2.446 0.006 . 2 . . . . 116 MET HG2 . 16711 1
1325 . 1 1 116 116 MET HG3 H 1 2.527 0.006 . 2 . . . . 116 MET HG3 . 16711 1
1326 . 1 1 116 116 MET CA C 13 55.515 0.16 . 1 . . . . 116 MET CA . 16711 1
1327 . 1 1 116 116 MET CB C 13 33.318 0.16 . 1 . . . . 116 MET CB . 16711 1
1328 . 1 1 116 116 MET CE C 13 17.057 0.16 . 1 . . . . 116 MET CE . 16711 1
1329 . 1 1 116 116 MET CG C 13 32.381 0.16 . 1 . . . . 116 MET CG . 16711 1
1330 . 1 1 116 116 MET N N 15 121.126 0.12 . 1 . . . . 116 MET N . 16711 1
1331 . 1 1 117 117 ASN H H 1 7.906 0.006 . 1 . . . . 117 ASN H . 16711 1
1332 . 1 1 117 117 ASN HA H 1 4.374 0.006 . 1 . . . . 117 ASN HA . 16711 1
1333 . 1 1 117 117 ASN HB2 H 1 2.586 0.006 . 2 . . . . 117 ASN HB2 . 16711 1
1334 . 1 1 117 117 ASN HB3 H 1 2.672 0.006 . 2 . . . . 117 ASN HB3 . 16711 1
1335 . 1 1 117 117 ASN HD21 H 1 7.410 0.006 . 2 . . . . 117 ASN HD21 . 16711 1
1336 . 1 1 117 117 ASN HD22 H 1 6.679 0.006 . 2 . . . . 117 ASN HD22 . 16711 1
1337 . 1 1 117 117 ASN CA C 13 55.033 0.16 . 1 . . . . 117 ASN CA . 16711 1
1338 . 1 1 117 117 ASN CB C 13 40.698 0.16 . 1 . . . . 117 ASN CB . 16711 1
1339 . 1 1 117 117 ASN N N 15 125.035 0.12 . 1 . . . . 117 ASN N . 16711 1
1340 . 1 1 117 117 ASN ND2 N 15 112.400 0.12 . 1 . . . . 117 ASN ND2 . 16711 1
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