data_16559
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16559
_Entry.Title
;
MAGI-1 PDZ1 / E6CT
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2009-10-16
_Entry.Accession_date 2009-10-16
_Entry.Last_release_date 2012-05-09
_Entry.Original_release_date 2012-05-09
_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
_Entry.Details 'MAGI-1 PDZ1 / E6CT'
_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 Sebastian Charbonier . . . 16559
2 Yves Nomine . . . 16559
3 Juan Ramirez . . . 16559
4 Katja Luck . . . 16559
5 Roland Stote . H. . 16559
6 Gilles Trave . . . 16559
7 Bruno Kieffer . . . 16559
8 Robert Atkinson . A. . 16559
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 'not applicable' 'not applicable' . 16559
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
1 . IGBMC . 16559
2 . ESBS . 16559
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'PDZ domain' . 16559
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 16559
spectral_density_values 1 16559
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 481 16559
'15N chemical shifts' 105 16559
'1H chemical shifts' 835 16559
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 . . 2012-05-09 2009-10-16 original author . 16559
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 16558 'MAGI-1 PDZ1' 16559
PDB 2KPL 'BMRB Entry Tracking System' 16559
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 16559
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 21238461
_Citation.Full_citation .
_Citation.Title 'The Structural and Dynamic Response of MAGI-1 PDZ1 with Noncanonical Domain Boundaries to the Binding of Human Papillomavirus E6'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Mol. Biol.'
_Citation.Journal_name_full .
_Citation.Journal_volume 406
_Citation.Journal_issue 5
_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 745
_Citation.Page_last 763
_Citation.Year 2011
_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 Sebastian Charbonier . . . 16559 1
2 Yves Nomine . . . 16559 1
3 Juan Ramirez . . . 16559 1
4 Katja Luck . . . 16559 1
5 Anne Chapelle . . . 16559 1
6 Roland Stote . H. . 16559 1
7 Gilles Trave . . . 16559 1
8 Bruno Kieffer . . . 16559 1
9 Robert Atkinson . A. . 16559 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 16559
_Assembly.ID 1
_Assembly.Name 'MAGI-1 PDZ1 / E6CT'
_Assembly.BMRB_code .
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'MAGI-1 PDZ1' 1 $MAGI-1_PDZ1 A . yes native no no . . . 16559 1
2 E6CT 2 $E6CT B . yes native no no . . . 16559 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_MAGI-1_PDZ1
_Entity.Sf_category entity
_Entity.Sf_framecode MAGI-1_PDZ1
_Entity.Entry_ID 16559
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name MAGI-1_PDZ1
_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
;
GAMGKPFFTRNPSELKGKFI
HTKLRKSSRGFGFTVVGGDE
PDEFLQIKSLVLDGPAALDG
KMETGDVIVSVNDTCVLGHT
HAQVVKIFQSIPIGASVDLE
LCRGYPLPFDPDDPNTSLVT
SVAILDKEP
;
_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 129
_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 13871.942
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no BMRB 16558 . MAGI-1_PDZ1 . . . . . 100.00 129 100.00 100.00 1.16e-86 . . . . 16559 1
2 no PDB 2I04 . "X-Ray Crystal Structure Of Magi-1 Pdz1 Bound To The C- Terminal Peptide Of Hpv18 E6" . . . . . 65.12 85 100.00 100.00 1.26e-51 . . . . 16559 1
3 no PDB 2KPK . "Magi-1 Pdz1" . . . . . 100.00 129 100.00 100.00 1.16e-86 . . . . 16559 1
4 no PDB 2KPL . "Magi-1 Pdz1 E6CT" . . . . . 100.00 129 100.00 100.00 1.16e-86 . . . . 16559 1
5 no REF XP_006108887 . "PREDICTED: membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1-like, partial [Myotis lucifugus]" . . . . . 98.45 241 99.21 99.21 7.41e-84 . . . . 16559 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 -3 GLY . 16559 1
2 -2 ALA . 16559 1
3 -1 MET . 16559 1
4 0 GLY . 16559 1
5 1 LYS . 16559 1
6 2 PRO . 16559 1
7 3 PHE . 16559 1
8 4 PHE . 16559 1
9 5 THR . 16559 1
10 6 ARG . 16559 1
11 7 ASN . 16559 1
12 8 PRO . 16559 1
13 9 SER . 16559 1
14 10 GLU . 16559 1
15 11 LEU . 16559 1
16 12 LYS . 16559 1
17 13 GLY . 16559 1
18 14 LYS . 16559 1
19 15 PHE . 16559 1
20 16 ILE . 16559 1
21 17 HIS . 16559 1
22 18 THR . 16559 1
23 19 LYS . 16559 1
24 20 LEU . 16559 1
25 21 ARG . 16559 1
26 22 LYS . 16559 1
27 23 SER . 16559 1
28 24 SER . 16559 1
29 25 ARG . 16559 1
30 26 GLY . 16559 1
31 27 PHE . 16559 1
32 28 GLY . 16559 1
33 29 PHE . 16559 1
34 30 THR . 16559 1
35 31 VAL . 16559 1
36 32 VAL . 16559 1
37 33 GLY . 16559 1
38 34 GLY . 16559 1
39 35 ASP . 16559 1
40 36 GLU . 16559 1
41 37 PRO . 16559 1
42 38 ASP . 16559 1
43 39 GLU . 16559 1
44 40 PHE . 16559 1
45 41 LEU . 16559 1
46 42 GLN . 16559 1
47 43 ILE . 16559 1
48 44 LYS . 16559 1
49 45 SER . 16559 1
50 46 LEU . 16559 1
51 47 VAL . 16559 1
52 48 LEU . 16559 1
53 49 ASP . 16559 1
54 50 GLY . 16559 1
55 51 PRO . 16559 1
56 52 ALA . 16559 1
57 53 ALA . 16559 1
58 54 LEU . 16559 1
59 55 ASP . 16559 1
60 56 GLY . 16559 1
61 57 LYS . 16559 1
62 58 MET . 16559 1
63 59 GLU . 16559 1
64 60 THR . 16559 1
65 61 GLY . 16559 1
66 62 ASP . 16559 1
67 63 VAL . 16559 1
68 64 ILE . 16559 1
69 65 VAL . 16559 1
70 66 SER . 16559 1
71 67 VAL . 16559 1
72 68 ASN . 16559 1
73 69 ASP . 16559 1
74 70 THR . 16559 1
75 71 CYS . 16559 1
76 72 VAL . 16559 1
77 73 LEU . 16559 1
78 74 GLY . 16559 1
79 75 HIS . 16559 1
80 76 THR . 16559 1
81 77 HIS . 16559 1
82 78 ALA . 16559 1
83 79 GLN . 16559 1
84 80 VAL . 16559 1
85 81 VAL . 16559 1
86 82 LYS . 16559 1
87 83 ILE . 16559 1
88 84 PHE . 16559 1
89 85 GLN . 16559 1
90 86 SER . 16559 1
91 87 ILE . 16559 1
92 88 PRO . 16559 1
93 89 ILE . 16559 1
94 90 GLY . 16559 1
95 91 ALA . 16559 1
96 92 SER . 16559 1
97 93 VAL . 16559 1
98 94 ASP . 16559 1
99 95 LEU . 16559 1
100 96 GLU . 16559 1
101 97 LEU . 16559 1
102 98 CYS . 16559 1
103 99 ARG . 16559 1
104 100 GLY . 16559 1
105 101 TYR . 16559 1
106 102 PRO . 16559 1
107 103 LEU . 16559 1
108 104 PRO . 16559 1
109 105 PHE . 16559 1
110 106 ASP . 16559 1
111 107 PRO . 16559 1
112 108 ASP . 16559 1
113 109 ASP . 16559 1
114 110 PRO . 16559 1
115 111 ASN . 16559 1
116 112 THR . 16559 1
117 113 SER . 16559 1
118 114 LEU . 16559 1
119 115 VAL . 16559 1
120 116 THR . 16559 1
121 117 SER . 16559 1
122 118 VAL . 16559 1
123 119 ALA . 16559 1
124 120 ILE . 16559 1
125 121 LEU . 16559 1
126 122 ASP . 16559 1
127 123 LYS . 16559 1
128 124 GLU . 16559 1
129 125 PRO . 16559 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 16559 1
. ALA 2 2 16559 1
. MET 3 3 16559 1
. GLY 4 4 16559 1
. LYS 5 5 16559 1
. PRO 6 6 16559 1
. PHE 7 7 16559 1
. PHE 8 8 16559 1
. THR 9 9 16559 1
. ARG 10 10 16559 1
. ASN 11 11 16559 1
. PRO 12 12 16559 1
. SER 13 13 16559 1
. GLU 14 14 16559 1
. LEU 15 15 16559 1
. LYS 16 16 16559 1
. GLY 17 17 16559 1
. LYS 18 18 16559 1
. PHE 19 19 16559 1
. ILE 20 20 16559 1
. HIS 21 21 16559 1
. THR 22 22 16559 1
. LYS 23 23 16559 1
. LEU 24 24 16559 1
. ARG 25 25 16559 1
. LYS 26 26 16559 1
. SER 27 27 16559 1
. SER 28 28 16559 1
. ARG 29 29 16559 1
. GLY 30 30 16559 1
. PHE 31 31 16559 1
. GLY 32 32 16559 1
. PHE 33 33 16559 1
. THR 34 34 16559 1
. VAL 35 35 16559 1
. VAL 36 36 16559 1
. GLY 37 37 16559 1
. GLY 38 38 16559 1
. ASP 39 39 16559 1
. GLU 40 40 16559 1
. PRO 41 41 16559 1
. ASP 42 42 16559 1
. GLU 43 43 16559 1
. PHE 44 44 16559 1
. LEU 45 45 16559 1
. GLN 46 46 16559 1
. ILE 47 47 16559 1
. LYS 48 48 16559 1
. SER 49 49 16559 1
. LEU 50 50 16559 1
. VAL 51 51 16559 1
. LEU 52 52 16559 1
. ASP 53 53 16559 1
. GLY 54 54 16559 1
. PRO 55 55 16559 1
. ALA 56 56 16559 1
. ALA 57 57 16559 1
. LEU 58 58 16559 1
. ASP 59 59 16559 1
. GLY 60 60 16559 1
. LYS 61 61 16559 1
. MET 62 62 16559 1
. GLU 63 63 16559 1
. THR 64 64 16559 1
. GLY 65 65 16559 1
. ASP 66 66 16559 1
. VAL 67 67 16559 1
. ILE 68 68 16559 1
. VAL 69 69 16559 1
. SER 70 70 16559 1
. VAL 71 71 16559 1
. ASN 72 72 16559 1
. ASP 73 73 16559 1
. THR 74 74 16559 1
. CYS 75 75 16559 1
. VAL 76 76 16559 1
. LEU 77 77 16559 1
. GLY 78 78 16559 1
. HIS 79 79 16559 1
. THR 80 80 16559 1
. HIS 81 81 16559 1
. ALA 82 82 16559 1
. GLN 83 83 16559 1
. VAL 84 84 16559 1
. VAL 85 85 16559 1
. LYS 86 86 16559 1
. ILE 87 87 16559 1
. PHE 88 88 16559 1
. GLN 89 89 16559 1
. SER 90 90 16559 1
. ILE 91 91 16559 1
. PRO 92 92 16559 1
. ILE 93 93 16559 1
. GLY 94 94 16559 1
. ALA 95 95 16559 1
. SER 96 96 16559 1
. VAL 97 97 16559 1
. ASP 98 98 16559 1
. LEU 99 99 16559 1
. GLU 100 100 16559 1
. LEU 101 101 16559 1
. CYS 102 102 16559 1
. ARG 103 103 16559 1
. GLY 104 104 16559 1
. TYR 105 105 16559 1
. PRO 106 106 16559 1
. LEU 107 107 16559 1
. PRO 108 108 16559 1
. PHE 109 109 16559 1
. ASP 110 110 16559 1
. PRO 111 111 16559 1
. ASP 112 112 16559 1
. ASP 113 113 16559 1
. PRO 114 114 16559 1
. ASN 115 115 16559 1
. THR 116 116 16559 1
. SER 117 117 16559 1
. LEU 118 118 16559 1
. VAL 119 119 16559 1
. THR 120 120 16559 1
. SER 121 121 16559 1
. VAL 122 122 16559 1
. ALA 123 123 16559 1
. ILE 124 124 16559 1
. LEU 125 125 16559 1
. ASP 126 126 16559 1
. LYS 127 127 16559 1
. GLU 128 128 16559 1
. PRO 129 129 16559 1
stop_
save_
save_E6CT
_Entity.Sf_category entity
_Entity.Sf_framecode E6CT
_Entity.Entry_ID 16559
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name E6CT
_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 RSSRTRRETQV
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq 151,R
_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 11
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 1375.31
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
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
1 151 ARG . 16559 2
2 152 SER . 16559 2
3 153 SER . 16559 2
4 154 ARG . 16559 2
5 155 THR . 16559 2
6 156 ARG . 16559 2
7 157 ARG . 16559 2
8 158 GLU . 16559 2
9 159 THR . 16559 2
10 160 GLN . 16559 2
11 161 VAL . 16559 2
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. ARG 1 1 16559 2
. SER 2 2 16559 2
. SER 3 3 16559 2
. ARG 4 4 16559 2
. THR 5 5 16559 2
. ARG 6 6 16559 2
. ARG 7 7 16559 2
. GLU 8 8 16559 2
. THR 9 9 16559 2
. GLN 10 10 16559 2
. VAL 11 11 16559 2
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 16559
_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 $MAGI-1_PDZ1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16559 1
2 2 $E6CT . 10566 virus . 'Human papillomavirus' 'Human papillomavirus' . . viruses . 'Human papillomavirus' . . . . . . . . . . . . . . . . . . . . . . 16559 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 16559
_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 $MAGI-1_PDZ1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETM-41 . . . . . . 16559 1
2 2 $E6CT . 'chemical synthesis' 'not applicable' . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16559 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_Unlabelled
_Sample.Sf_category sample
_Sample.Sf_framecode Unlabelled
_Sample.Entry_ID 16559
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'MAGI-1 PDZ1' 'natural abundance' . . 1 $MAGI-1_PDZ1 . . . 0.2 0.6 mM . . . . 16559 1
2 'sodium phosphate' 'natural abundance' . . . . . . . 0.02 0.10 mM . . . . 16559 1
3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16559 1
4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16559 1
5 E6CT 'natural abundance' . . 2 $E6CT . . . 0.6 1.8 mM . . . . 16559 1
stop_
save_
save_15N
_Sample.Sf_category sample
_Sample.Sf_framecode 15N
_Sample.Entry_ID 16559
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'MAGI-1 PDZ1' [U-15N] . . 1 $MAGI-1_PDZ1 . . . 0.2 0.6 mM . . . . 16559 2
2 'sodium phosphate' 'natural abundance' . . . . . . . 0.02 0.10 mM . . . . 16559 2
3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16559 2
4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16559 2
5 E6CT 'natural abundance' . . 2 $E6CT . . . 0.6 1.8 mM . . . . 16559 2
stop_
save_
save_13C-15N
_Sample.Sf_category sample
_Sample.Sf_framecode 13C-15N
_Sample.Entry_ID 16559
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'MAGI-1 PDZ1' '[U-100% 13C; U-100% 15N]' . . 1 $MAGI-1_PDZ1 . . . 0.2 0.6 mM . . . . 16559 3
2 'sodium phosphate' 'natural abundance' . . . . . . . 0.02 0.10 mM . . . . 16559 3
3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16559 3
4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16559 3
5 E6CT 'natural abundance' . . 2 $E6CT . . . 0.6 1.8 mM . . . . 16559 3
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 16559
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 6.8 . pH 16559 1
pressure 1 . atm 16559 1
temperature 295 . K 16559 1
stop_
save_
############################
# Computer software used #
############################
save_xwinnmr
_Software.Sf_category software
_Software.Sf_framecode xwinnmr
_Software.Entry_ID 16559
_Software.ID 1
_Software.Name xwinnmr
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bruker Biospin' . . 16559 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 16559 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 16559
_Software.ID 2
_Software.Name NMRPipe
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16559 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 16559 2
stop_
save_
save_XEASY
_Software.Sf_category software
_Software.Sf_framecode XEASY
_Software.Entry_ID 16559
_Software.ID 3
_Software.Name XEASY
_Software.Version CARA
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bartels et al.' . . 16559 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 16559 3
stop_
save_
save_ATNOS-CANDID
_Software.Sf_category software
_Software.Sf_framecode ATNOS-CANDID
_Software.Entry_ID 16559
_Software.ID 4
_Software.Name ATHNOS-CANDID
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Herrmann, Guntert and Wuthrich' . . 16559 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 16559 4
stop_
save_
save_X-PLOR_NIH
_Software.Sf_category software
_Software.Sf_framecode X-PLOR_NIH
_Software.Entry_ID 16559
_Software.ID 5
_Software.Name 'X-PLOR NIH'
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Schwieters, Kuszewski, Tjandra and Clore' . . 16559 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 16559 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 16559
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DRX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 16559
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker DRX . 600 . . . 16559 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 16559
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '3D HN(CO)CA' no . . . . . . . . . . 3 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16559 1
2 '3D HNCA' no . . . . . . . . . . 3 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16559 1
3 '3D HN(CO)CACB' no . . . . . . . . . . 3 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16559 1
4 '3D HNCACB' no . . . . . . . . . . 3 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16559 1
5 '3D HNCO' no . . . . . . . . . . 3 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16559 1
6 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16559 1
7 '3D HCCH-COSY' no . . . . . . . . . . 3 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16559 1
8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16559 1
9 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16559 1
10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16559 1
11 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $Unlabelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16559 1
12 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $Unlabelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16559 1
13 '2D 15N T1' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16559 1
14 '2D 15N T2' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16559 1
15 '2D 1H-15N NOE' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16559 1
16 '3D 12C-filtered 13C-edited NOESY' no . . . . . . . . . . 3 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16559 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 16559
_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 . . . . . . . . . 16559 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16559 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16559 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_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 16559
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D HN(CO)CA' . . . 16559 1
2 '3D HNCA' . . . 16559 1
3 '3D HN(CO)CACB' . . . 16559 1
4 '3D HNCACB' . . . 16559 1
5 '3D HNCO' . . . 16559 1
6 '3D HCCH-TOCSY' . . . 16559 1
7 '3D HCCH-COSY' . . . 16559 1
11 '2D 1H-1H TOCSY' . . . 16559 1
12 '2D 1H-1H NOESY' . . . 16559 1
16 '3D 12C-filtered 13C-edited NOESY' . . . 16559 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 . 2 2 1 1 ARG HA H 1 4.356 0.020 . 1 . . . . 151 ARG HA . 16559 1
2 . 2 2 1 1 ARG HB2 H 1 2.074 0.020 . 2 . . . . 151 ARG HB2 . 16559 1
3 . 2 2 1 1 ARG HB3 H 1 1.949 0.020 . 2 . . . . 151 ARG HB3 . 16559 1
4 . 2 2 1 1 ARG HD2 H 1 3.211 0.020 . 1 . . . . 151 ARG HD2 . 16559 1
5 . 2 2 1 1 ARG HD3 H 1 3.211 0.020 . 1 . . . . 151 ARG HD3 . 16559 1
6 . 2 2 1 1 ARG HG2 H 1 1.850 0.020 . 2 . . . . 151 ARG HG2 . 16559 1
7 . 2 2 1 1 ARG HG3 H 1 1.751 0.020 . 2 . . . . 151 ARG HG3 . 16559 1
8 . 2 2 2 2 SER H H 1 8.688 0.020 . 1 . . . . 152 SER H . 16559 1
9 . 2 2 2 2 SER HA H 1 4.296 0.020 . 1 . . . . 152 SER HA . 16559 1
10 . 2 2 2 2 SER HB2 H 1 3.948 0.020 . 1 . . . . 152 SER HB2 . 16559 1
11 . 2 2 2 2 SER HB3 H 1 3.948 0.020 . 1 . . . . 152 SER HB3 . 16559 1
12 . 2 2 3 3 SER H H 1 8.517 0.020 . 1 . . . . 153 SER H . 16559 1
13 . 2 2 3 3 SER HA H 1 4.562 0.020 . 1 . . . . 153 SER HA . 16559 1
14 . 2 2 3 3 SER HB2 H 1 3.973 0.020 . 2 . . . . 153 SER HB2 . 16559 1
15 . 2 2 3 3 SER HB3 H 1 3.878 0.020 . 2 . . . . 153 SER HB3 . 16559 1
16 . 2 2 4 4 ARG H H 1 8.380 0.020 . 1 . . . . 154 ARG H . 16559 1
17 . 2 2 4 4 ARG HA H 1 4.475 0.020 . 1 . . . . 154 ARG HA . 16559 1
18 . 2 2 4 4 ARG HB2 H 1 1.859 0.020 . 2 . . . . 154 ARG HB2 . 16559 1
19 . 2 2 4 4 ARG HB3 H 1 1.783 0.020 . 2 . . . . 154 ARG HB3 . 16559 1
20 . 2 2 4 4 ARG HD2 H 1 3.154 0.020 . 1 . . . . 154 ARG HD2 . 16559 1
21 . 2 2 4 4 ARG HD3 H 1 3.154 0.020 . 1 . . . . 154 ARG HD3 . 16559 1
22 . 2 2 4 4 ARG HG2 H 1 1.583 0.020 . 1 . . . . 154 ARG HG2 . 16559 1
23 . 2 2 4 4 ARG HG3 H 1 1.583 0.020 . 1 . . . . 154 ARG HG3 . 16559 1
24 . 2 2 5 5 THR H H 1 8.367 0.020 . 1 . . . . 155 THR H . 16559 1
25 . 2 2 5 5 THR HA H 1 4.585 0.020 . 1 . . . . 155 THR HA . 16559 1
26 . 2 2 5 5 THR HB H 1 3.974 0.020 . 1 . . . . 155 THR HB . 16559 1
27 . 2 2 5 5 THR HG21 H 1 1.096 0.020 . 1 . . . . 155 THR HG2 . 16559 1
28 . 2 2 5 5 THR HG22 H 1 1.096 0.020 . 1 . . . . 155 THR HG2 . 16559 1
29 . 2 2 5 5 THR HG23 H 1 1.096 0.020 . 1 . . . . 155 THR HG2 . 16559 1
30 . 2 2 6 6 ARG H H 1 8.466 0.020 . 1 . . . . 156 ARG H . 16559 1
31 . 2 2 6 6 ARG HA H 1 4.527 0.020 . 1 . . . . 156 ARG HA . 16559 1
32 . 2 2 6 6 ARG HB2 H 1 1.724 0.020 . 1 . . . . 156 ARG HB2 . 16559 1
33 . 2 2 6 6 ARG HB3 H 1 1.724 0.020 . 1 . . . . 156 ARG HB3 . 16559 1
34 . 2 2 6 6 ARG HD2 H 1 2.991 0.020 . 1 . . . . 156 ARG HD2 . 16559 1
35 . 2 2 6 6 ARG HD3 H 1 2.991 0.020 . 1 . . . . 156 ARG HD3 . 16559 1
36 . 2 2 6 6 ARG HG2 H 1 1.348 0.020 . 1 . . . . 156 ARG HG2 . 16559 1
37 . 2 2 6 6 ARG HG3 H 1 1.348 0.020 . 1 . . . . 156 ARG HG3 . 16559 1
38 . 2 2 7 7 ARG H H 1 8.748 0.020 . 1 . . . . 157 ARG H . 16559 1
39 . 2 2 7 7 ARG HA H 1 4.616 0.020 . 1 . . . . 157 ARG HA . 16559 1
40 . 2 2 7 7 ARG HB2 H 1 1.164 0.020 . 2 . . . . 157 ARG HB2 . 16559 1
41 . 2 2 7 7 ARG HB3 H 1 0.746 0.020 . 2 . . . . 157 ARG HB3 . 16559 1
42 . 2 2 7 7 ARG HD2 H 1 2.900 0.020 . 2 . . . . 157 ARG HD2 . 16559 1
43 . 2 2 7 7 ARG HD3 H 1 2.810 0.020 . 2 . . . . 157 ARG HD3 . 16559 1
44 . 2 2 7 7 ARG HE H 1 7.160 0.020 . 1 . . . . 157 ARG HE . 16559 1
45 . 2 2 7 7 ARG HG2 H 1 1.493 0.020 . 2 . . . . 157 ARG HG2 . 16559 1
46 . 2 2 7 7 ARG HG3 H 1 1.301 0.020 . 2 . . . . 157 ARG HG3 . 16559 1
47 . 2 2 8 8 GLU H H 1 8.194 0.020 . 1 . . . . 158 GLU H . 16559 1
48 . 2 2 8 8 GLU HA H 1 5.482 0.020 . 1 . . . . 158 GLU HA . 16559 1
49 . 2 2 8 8 GLU HB2 H 1 2.076 0.020 . 2 . . . . 158 GLU HB2 . 16559 1
50 . 2 2 8 8 GLU HB3 H 1 1.830 0.020 . 2 . . . . 158 GLU HB3 . 16559 1
51 . 2 2 8 8 GLU HG2 H 1 1.884 0.020 . 1 . . . . 158 GLU HG2 . 16559 1
52 . 2 2 8 8 GLU HG3 H 1 1.884 0.020 . 1 . . . . 158 GLU HG3 . 16559 1
53 . 2 2 9 9 THR H H 1 8.765 0.020 . 1 . . . . 159 THR H . 16559 1
54 . 2 2 9 9 THR HA H 1 5.114 0.020 . 1 . . . . 159 THR HA . 16559 1
55 . 2 2 9 9 THR HB H 1 3.755 0.020 . 1 . . . . 159 THR HB . 16559 1
56 . 2 2 9 9 THR HG21 H 1 1.132 0.020 . 1 . . . . 159 THR HG2 . 16559 1
57 . 2 2 9 9 THR HG22 H 1 1.132 0.020 . 1 . . . . 159 THR HG2 . 16559 1
58 . 2 2 9 9 THR HG23 H 1 1.132 0.020 . 1 . . . . 159 THR HG2 . 16559 1
59 . 2 2 10 10 GLN H H 1 9.089 0.020 . 1 . . . . 160 GLN H . 16559 1
60 . 2 2 10 10 GLN HA H 1 4.590 0.020 . 1 . . . . 160 GLN HA . 16559 1
61 . 2 2 10 10 GLN HB2 H 1 2.068 0.020 . 2 . . . . 160 GLN HB2 . 16559 1
62 . 2 2 10 10 GLN HB3 H 1 2.024 0.020 . 2 . . . . 160 GLN HB3 . 16559 1
63 . 2 2 10 10 GLN HG2 H 1 2.174 0.020 . 1 . . . . 160 GLN HG2 . 16559 1
64 . 2 2 10 10 GLN HG3 H 1 2.174 0.020 . 1 . . . . 160 GLN HG3 . 16559 1
65 . 2 2 11 11 VAL H H 1 8.655 0.020 . 1 . . . . 161 VAL H . 16559 1
66 . 2 2 11 11 VAL HA H 1 4.404 0.020 . 1 . . . . 161 VAL HA . 16559 1
67 . 2 2 11 11 VAL HB H 1 2.180 0.020 . 1 . . . . 161 VAL HB . 16559 1
68 . 2 2 11 11 VAL HG11 H 1 0.871 0.020 . 1 . . . . 161 VAL HG1 . 16559 1
69 . 2 2 11 11 VAL HG12 H 1 0.871 0.020 . 1 . . . . 161 VAL HG1 . 16559 1
70 . 2 2 11 11 VAL HG13 H 1 0.871 0.020 . 1 . . . . 161 VAL HG1 . 16559 1
71 . 2 2 11 11 VAL HG21 H 1 -0.514 0.020 . 1 . . . . 161 VAL HG2 . 16559 1
72 . 2 2 11 11 VAL HG22 H 1 -0.514 0.020 . 1 . . . . 161 VAL HG2 . 16559 1
73 . 2 2 11 11 VAL HG23 H 1 -0.514 0.020 . 1 . . . . 161 VAL HG2 . 16559 1
74 . 1 1 1 1 GLY HA2 H 1 3.850 0.020 . 1 . . . . -3 GLY HA2 . 16559 1
75 . 1 1 1 1 GLY HA3 H 1 3.850 0.020 . 1 . . . . -3 GLY HA3 . 16559 1
76 . 1 1 1 1 GLY CA C 13 43.298 0.3 . 1 . . . . -3 GLY CA . 16559 1
77 . 1 1 2 2 ALA HA H 1 4.377 0.020 . 1 . . . . -2 ALA HA . 16559 1
78 . 1 1 2 2 ALA HB1 H 1 1.412 0.020 . 1 . . . . -2 ALA HB . 16559 1
79 . 1 1 2 2 ALA HB2 H 1 1.412 0.020 . 1 . . . . -2 ALA HB . 16559 1
80 . 1 1 2 2 ALA HB3 H 1 1.412 0.020 . 1 . . . . -2 ALA HB . 16559 1
81 . 1 1 2 2 ALA C C 13 177.864 0.3 . 1 . . . . -2 ALA C . 16559 1
82 . 1 1 2 2 ALA CA C 13 52.506 0.3 . 1 . . . . -2 ALA CA . 16559 1
83 . 1 1 2 2 ALA CB C 13 19.397 0.3 . 1 . . . . -2 ALA CB . 16559 1
84 . 1 1 3 3 MET H H 1 8.562 0.020 . 1 . . . . -1 MET H . 16559 1
85 . 1 1 3 3 MET HA H 1 4.489 0.020 . 1 . . . . -1 MET HA . 16559 1
86 . 1 1 3 3 MET HB2 H 1 2.109 0.020 . 2 . . . . -1 MET HB2 . 16559 1
87 . 1 1 3 3 MET HB3 H 1 2.025 0.020 . 2 . . . . -1 MET HB3 . 16559 1
88 . 1 1 3 3 MET HE1 H 1 2.120 0.020 . 1 . . . . -1 MET HE . 16559 1
89 . 1 1 3 3 MET HE2 H 1 2.120 0.020 . 1 . . . . -1 MET HE . 16559 1
90 . 1 1 3 3 MET HE3 H 1 2.120 0.020 . 1 . . . . -1 MET HE . 16559 1
91 . 1 1 3 3 MET HG2 H 1 2.624 0.020 . 2 . . . . -1 MET HG2 . 16559 1
92 . 1 1 3 3 MET HG3 H 1 2.561 0.020 . 2 . . . . -1 MET HG3 . 16559 1
93 . 1 1 3 3 MET C C 13 176.713 0.3 . 1 . . . . -1 MET C . 16559 1
94 . 1 1 3 3 MET CA C 13 55.476 0.3 . 1 . . . . -1 MET CA . 16559 1
95 . 1 1 3 3 MET CB C 13 32.705 0.3 . 1 . . . . -1 MET CB . 16559 1
96 . 1 1 3 3 MET CE C 13 16.678 0.3 . 1 . . . . -1 MET CE . 16559 1
97 . 1 1 3 3 MET CG C 13 32.808 0.3 . 1 . . . . -1 MET CG . 16559 1
98 . 1 1 3 3 MET N N 15 120.677 0.3 . 1 . . . . -1 MET N . 16559 1
99 . 1 1 4 4 GLY H H 1 8.429 0.020 . 1 . . . . 0 GLY H . 16559 1
100 . 1 1 4 4 GLY HA2 H 1 3.957 0.020 . 1 . . . . 0 GLY HA2 . 16559 1
101 . 1 1 4 4 GLY HA3 H 1 3.957 0.020 . 1 . . . . 0 GLY HA3 . 16559 1
102 . 1 1 4 4 GLY C C 13 173.528 0.3 . 1 . . . . 0 GLY C . 16559 1
103 . 1 1 4 4 GLY CA C 13 45.016 0.3 . 1 . . . . 0 GLY CA . 16559 1
104 . 1 1 4 4 GLY N N 15 111.081 0.3 . 1 . . . . 0 GLY N . 16559 1
105 . 1 1 5 5 LYS H H 1 8.203 0.020 . 1 . . . . 1 LYS H . 16559 1
106 . 1 1 5 5 LYS HA H 1 4.641 0.020 . 1 . . . . 1 LYS HA . 16559 1
107 . 1 1 5 5 LYS HB2 H 1 1.847 0.020 . 2 . . . . 1 LYS HB2 . 16559 1
108 . 1 1 5 5 LYS HB3 H 1 1.745 0.020 . 2 . . . . 1 LYS HB3 . 16559 1
109 . 1 1 5 5 LYS HD2 H 1 1.710 0.020 . 1 . . . . 1 LYS HD2 . 16559 1
110 . 1 1 5 5 LYS HD3 H 1 1.710 0.020 . 1 . . . . 1 LYS HD3 . 16559 1
111 . 1 1 5 5 LYS HE2 H 1 3.011 0.020 . 1 . . . . 1 LYS HE2 . 16559 1
112 . 1 1 5 5 LYS HE3 H 1 3.011 0.020 . 1 . . . . 1 LYS HE3 . 16559 1
113 . 1 1 5 5 LYS HG2 H 1 1.501 0.020 . 1 . . . . 1 LYS HG2 . 16559 1
114 . 1 1 5 5 LYS HG3 H 1 1.501 0.020 . 1 . . . . 1 LYS HG3 . 16559 1
115 . 1 1 5 5 LYS CA C 13 54.052 0.3 . 1 . . . . 1 LYS CA . 16559 1
116 . 1 1 5 5 LYS CB C 13 32.664 0.3 . 1 . . . . 1 LYS CB . 16559 1
117 . 1 1 5 5 LYS CD C 13 28.981 0.3 . 1 . . . . 1 LYS CD . 16559 1
118 . 1 1 5 5 LYS CE C 13 41.831 0.3 . 1 . . . . 1 LYS CE . 16559 1
119 . 1 1 5 5 LYS CG C 13 24.333 0.3 . 1 . . . . 1 LYS CG . 16559 1
120 . 1 1 5 5 LYS N N 15 123.074 0.3 . 1 . . . . 1 LYS N . 16559 1
121 . 1 1 6 6 PRO HA H 1 4.526 0.020 . 1 . . . . 2 PRO HA . 16559 1
122 . 1 1 6 6 PRO HB2 H 1 2.435 0.020 . 2 . . . . 2 PRO HB2 . 16559 1
123 . 1 1 6 6 PRO HB3 H 1 1.981 0.020 . 2 . . . . 2 PRO HB3 . 16559 1
124 . 1 1 6 6 PRO HD2 H 1 3.924 0.020 . 2 . . . . 2 PRO HD2 . 16559 1
125 . 1 1 6 6 PRO HD3 H 1 3.686 0.020 . 2 . . . . 2 PRO HD3 . 16559 1
126 . 1 1 6 6 PRO HG2 H 1 2.156 0.020 . 2 . . . . 2 PRO HG2 . 16559 1
127 . 1 1 6 6 PRO HG3 H 1 2.082 0.020 . 2 . . . . 2 PRO HG3 . 16559 1
128 . 1 1 6 6 PRO C C 13 175.594 0.3 . 1 . . . . 2 PRO C . 16559 1
129 . 1 1 6 6 PRO CA C 13 62.956 0.3 . 1 . . . . 2 PRO CA . 16559 1
130 . 1 1 6 6 PRO CB C 13 32.199 0.3 . 1 . . . . 2 PRO CB . 16559 1
131 . 1 1 6 6 PRO CD C 13 50.817 0.3 . 1 . . . . 2 PRO CD . 16559 1
132 . 1 1 6 6 PRO CG C 13 27.464 0.3 . 1 . . . . 2 PRO CG . 16559 1
133 . 1 1 7 7 PHE H H 1 8.496 0.020 . 1 . . . . 3 PHE H . 16559 1
134 . 1 1 7 7 PHE HA H 1 4.387 0.020 . 1 . . . . 3 PHE HA . 16559 1
135 . 1 1 7 7 PHE HB2 H 1 3.392 0.020 . 2 . . . . 3 PHE HB2 . 16559 1
136 . 1 1 7 7 PHE HB3 H 1 2.904 0.020 . 2 . . . . 3 PHE HB3 . 16559 1
137 . 1 1 7 7 PHE HD1 H 1 7.224 0.020 . 1 . . . . 3 PHE HD1 . 16559 1
138 . 1 1 7 7 PHE HD2 H 1 7.224 0.020 . 1 . . . . 3 PHE HD2 . 16559 1
139 . 1 1 7 7 PHE HE1 H 1 7.348 0.020 . 1 . . . . 3 PHE HE1 . 16559 1
140 . 1 1 7 7 PHE HE2 H 1 7.348 0.020 . 1 . . . . 3 PHE HE2 . 16559 1
141 . 1 1 7 7 PHE C C 13 173.386 0.3 . 1 . . . . 3 PHE C . 16559 1
142 . 1 1 7 7 PHE CA C 13 58.973 0.3 . 1 . . . . 3 PHE CA . 16559 1
143 . 1 1 7 7 PHE CB C 13 39.647 0.3 . 1 . . . . 3 PHE CB . 16559 1
144 . 1 1 7 7 PHE CD1 C 13 131.868 0.3 . 1 . . . . 3 PHE CD1 . 16559 1
145 . 1 1 7 7 PHE CD2 C 13 131.868 0.3 . 1 . . . . 3 PHE CD2 . 16559 1
146 . 1 1 7 7 PHE CE1 C 13 131.748 0.3 . 1 . . . . 3 PHE CE1 . 16559 1
147 . 1 1 7 7 PHE CE2 C 13 131.748 0.3 . 1 . . . . 3 PHE CE2 . 16559 1
148 . 1 1 7 7 PHE N N 15 123.553 0.3 . 1 . . . . 3 PHE N . 16559 1
149 . 1 1 8 8 PHE H H 1 7.054 0.020 . 1 . . . . 4 PHE H . 16559 1
150 . 1 1 8 8 PHE HA H 1 3.226 0.020 . 1 . . . . 4 PHE HA . 16559 1
151 . 1 1 8 8 PHE HB2 H 1 2.624 0.020 . 2 . . . . 4 PHE HB2 . 16559 1
152 . 1 1 8 8 PHE HB3 H 1 2.182 0.020 . 2 . . . . 4 PHE HB3 . 16559 1
153 . 1 1 8 8 PHE HD1 H 1 6.319 0.020 . 1 . . . . 4 PHE HD1 . 16559 1
154 . 1 1 8 8 PHE HD2 H 1 6.319 0.020 . 1 . . . . 4 PHE HD2 . 16559 1
155 . 1 1 8 8 PHE HE1 H 1 6.971 0.020 . 1 . . . . 4 PHE HE1 . 16559 1
156 . 1 1 8 8 PHE HE2 H 1 6.971 0.020 . 1 . . . . 4 PHE HE2 . 16559 1
157 . 1 1 8 8 PHE HZ H 1 6.794 0.020 . 1 . . . . 4 PHE HZ . 16559 1
158 . 1 1 8 8 PHE CA C 13 57.521 0.3 . 1 . . . . 4 PHE CA . 16559 1
159 . 1 1 8 8 PHE CB C 13 42.078 0.3 . 1 . . . . 4 PHE CB . 16559 1
160 . 1 1 8 8 PHE CD1 C 13 131.012 0.3 . 1 . . . . 4 PHE CD1 . 16559 1
161 . 1 1 8 8 PHE CD2 C 13 131.012 0.3 . 1 . . . . 4 PHE CD2 . 16559 1
162 . 1 1 8 8 PHE CE1 C 13 130.919 0.3 . 1 . . . . 4 PHE CE1 . 16559 1
163 . 1 1 8 8 PHE CE2 C 13 130.919 0.3 . 1 . . . . 4 PHE CE2 . 16559 1
164 . 1 1 8 8 PHE CZ C 13 128.799 0.3 . 1 . . . . 4 PHE CZ . 16559 1
165 . 1 1 8 8 PHE N N 15 125.110 0.3 . 1 . . . . 4 PHE N . 16559 1
166 . 1 1 9 9 THR H H 1 5.219 0.020 . 1 . . . . 5 THR H . 16559 1
167 . 1 1 9 9 THR HA H 1 3.821 0.020 . 1 . . . . 5 THR HA . 16559 1
168 . 1 1 9 9 THR HB H 1 3.976 0.020 . 1 . . . . 5 THR HB . 16559 1
169 . 1 1 9 9 THR HG21 H 1 0.917 0.020 . 1 . . . . 5 THR HG2 . 16559 1
170 . 1 1 9 9 THR HG22 H 1 0.917 0.020 . 1 . . . . 5 THR HG2 . 16559 1
171 . 1 1 9 9 THR HG23 H 1 0.917 0.020 . 1 . . . . 5 THR HG2 . 16559 1
172 . 1 1 9 9 THR C C 13 169.113 0.3 . 1 . . . . 5 THR C . 16559 1
173 . 1 1 9 9 THR CA C 13 59.055 0.3 . 1 . . . . 5 THR CA . 16559 1
174 . 1 1 9 9 THR CB C 13 68.624 0.3 . 1 . . . . 5 THR CB . 16559 1
175 . 1 1 9 9 THR CG2 C 13 19.412 0.3 . 1 . . . . 5 THR CG2 . 16559 1
176 . 1 1 10 10 ARG H H 1 7.889 0.020 . 1 . . . . 6 ARG H . 16559 1
177 . 1 1 10 10 ARG HA H 1 4.128 0.020 . 1 . . . . 6 ARG HA . 16559 1
178 . 1 1 10 10 ARG HB2 H 1 1.946 0.020 . 2 . . . . 6 ARG HB2 . 16559 1
179 . 1 1 10 10 ARG HB3 H 1 1.545 0.020 . 2 . . . . 6 ARG HB3 . 16559 1
180 . 1 1 10 10 ARG HD2 H 1 3.308 0.020 . 1 . . . . 6 ARG HD2 . 16559 1
181 . 1 1 10 10 ARG HD3 H 1 3.308 0.020 . 1 . . . . 6 ARG HD3 . 16559 1
182 . 1 1 10 10 ARG HE H 1 7.532 0.020 . 1 . . . . 6 ARG HE . 16559 1
183 . 1 1 10 10 ARG HG2 H 1 1.726 0.020 . 2 . . . . 6 ARG HG2 . 16559 1
184 . 1 1 10 10 ARG HG3 H 1 1.569 0.020 . 2 . . . . 6 ARG HG3 . 16559 1
185 . 1 1 10 10 ARG C C 13 175.310 0.3 . 1 . . . . 6 ARG C . 16559 1
186 . 1 1 10 10 ARG CA C 13 55.831 0.3 . 1 . . . . 6 ARG CA . 16559 1
187 . 1 1 10 10 ARG CB C 13 30.877 0.3 . 1 . . . . 6 ARG CB . 16559 1
188 . 1 1 10 10 ARG CD C 13 42.924 0.3 . 1 . . . . 6 ARG CD . 16559 1
189 . 1 1 10 10 ARG CG C 13 28.707 0.3 . 1 . . . . 6 ARG CG . 16559 1
190 . 1 1 10 10 ARG CZ C 13 159.744 0.3 . 1 . . . . 6 ARG CZ . 16559 1
191 . 1 1 10 10 ARG N N 15 120.160 0.3 . 1 . . . . 6 ARG N . 16559 1
192 . 1 1 10 10 ARG NE N 15 115.124 0.3 . 1 . . . . 6 ARG NE . 16559 1
193 . 1 1 11 11 ASN H H 1 8.627 0.020 . 1 . . . . 7 ASN H . 16559 1
194 . 1 1 11 11 ASN HA H 1 5.133 0.020 . 1 . . . . 7 ASN HA . 16559 1
195 . 1 1 11 11 ASN HB2 H 1 2.838 0.020 . 2 . . . . 7 ASN HB2 . 16559 1
196 . 1 1 11 11 ASN HB3 H 1 2.609 0.020 . 2 . . . . 7 ASN HB3 . 16559 1
197 . 1 1 11 11 ASN HD21 H 1 7.624 0.020 . 1 . . . . 7 ASN HD21 . 16559 1
198 . 1 1 11 11 ASN HD22 H 1 7.018 0.020 . 1 . . . . 7 ASN HD22 . 16559 1
199 . 1 1 11 11 ASN CA C 13 48.932 0.3 . 1 . . . . 7 ASN CA . 16559 1
200 . 1 1 11 11 ASN CB C 13 39.601 0.3 . 1 . . . . 7 ASN CB . 16559 1
201 . 1 1 11 11 ASN CG C 13 177.322 0.3 . 1 . . . . 7 ASN CG . 16559 1
202 . 1 1 11 11 ASN N N 15 121.674 0.3 . 1 . . . . 7 ASN N . 16559 1
203 . 1 1 11 11 ASN ND2 N 15 113.215 0.3 . 1 . . . . 7 ASN ND2 . 16559 1
204 . 1 1 12 12 PRO HA H 1 4.038 0.020 . 1 . . . . 8 PRO HA . 16559 1
205 . 1 1 12 12 PRO HB2 H 1 2.189 0.020 . 2 . . . . 8 PRO HB2 . 16559 1
206 . 1 1 12 12 PRO HB3 H 1 2.076 0.020 . 2 . . . . 8 PRO HB3 . 16559 1
207 . 1 1 12 12 PRO HD2 H 1 4.217 0.020 . 2 . . . . 8 PRO HD2 . 16559 1
208 . 1 1 12 12 PRO HD3 H 1 4.055 0.020 . 2 . . . . 8 PRO HD3 . 16559 1
209 . 1 1 12 12 PRO HG2 H 1 2.194 0.020 . 2 . . . . 8 PRO HG2 . 16559 1
210 . 1 1 12 12 PRO HG3 H 1 1.940 0.020 . 2 . . . . 8 PRO HG3 . 16559 1
211 . 1 1 12 12 PRO C C 13 178.037 0.3 . 1 . . . . 8 PRO C . 16559 1
212 . 1 1 12 12 PRO CA C 13 64.935 0.3 . 1 . . . . 8 PRO CA . 16559 1
213 . 1 1 12 12 PRO CB C 13 31.924 0.3 . 1 . . . . 8 PRO CB . 16559 1
214 . 1 1 12 12 PRO CD C 13 50.853 0.3 . 1 . . . . 8 PRO CD . 16559 1
215 . 1 1 12 12 PRO CG C 13 27.614 0.3 . 1 . . . . 8 PRO CG . 16559 1
216 . 1 1 13 13 SER H H 1 7.950 0.020 . 1 . . . . 9 SER H . 16559 1
217 . 1 1 13 13 SER HA H 1 4.306 0.020 . 1 . . . . 9 SER HA . 16559 1
218 . 1 1 13 13 SER HB2 H 1 3.906 0.020 . 1 . . . . 9 SER HB2 . 16559 1
219 . 1 1 13 13 SER HB3 H 1 3.906 0.020 . 1 . . . . 9 SER HB3 . 16559 1
220 . 1 1 13 13 SER C C 13 175.310 0.3 . 1 . . . . 9 SER C . 16559 1
221 . 1 1 13 13 SER CA C 13 60.471 0.3 . 1 . . . . 9 SER CA . 16559 1
222 . 1 1 13 13 SER CB C 13 62.607 0.3 . 1 . . . . 9 SER CB . 16559 1
223 . 1 1 13 13 SER N N 15 111.181 0.3 . 1 . . . . 9 SER N . 16559 1
224 . 1 1 14 14 GLU H H 1 8.075 0.020 . 1 . . . . 10 GLU H . 16559 1
225 . 1 1 14 14 GLU HA H 1 4.361 0.020 . 1 . . . . 10 GLU HA . 16559 1
226 . 1 1 14 14 GLU HB2 H 1 2.372 0.020 . 2 . . . . 10 GLU HB2 . 16559 1
227 . 1 1 14 14 GLU HB3 H 1 2.331 0.020 . 2 . . . . 10 GLU HB3 . 16559 1
228 . 1 1 14 14 GLU HG2 H 1 2.238 0.020 . 1 . . . . 10 GLU HG2 . 16559 1
229 . 1 1 14 14 GLU HG3 H 1 2.238 0.020 . 1 . . . . 10 GLU HG3 . 16559 1
230 . 1 1 14 14 GLU C C 13 176.492 0.3 . 1 . . . . 10 GLU C . 16559 1
231 . 1 1 14 14 GLU CA C 13 55.794 0.3 . 1 . . . . 10 GLU CA . 16559 1
232 . 1 1 14 14 GLU CB C 13 30.378 0.3 . 1 . . . . 10 GLU CB . 16559 1
233 . 1 1 14 14 GLU CG C 13 37.183 0.3 . 1 . . . . 10 GLU CG . 16559 1
234 . 1 1 14 14 GLU N N 15 120.275 0.3 . 1 . . . . 10 GLU N . 16559 1
235 . 1 1 15 15 LEU H H 1 7.237 0.020 . 1 . . . . 11 LEU H . 16559 1
236 . 1 1 15 15 LEU HA H 1 4.424 0.020 . 1 . . . . 11 LEU HA . 16559 1
237 . 1 1 15 15 LEU HB2 H 1 2.173 0.020 . 2 . . . . 11 LEU HB2 . 16559 1
238 . 1 1 15 15 LEU HB3 H 1 1.808 0.020 . 2 . . . . 11 LEU HB3 . 16559 1
239 . 1 1 15 15 LEU HD11 H 1 0.959 0.020 . 1 . . . . 11 LEU HD1 . 16559 1
240 . 1 1 15 15 LEU HD12 H 1 0.959 0.020 . 1 . . . . 11 LEU HD1 . 16559 1
241 . 1 1 15 15 LEU HD13 H 1 0.959 0.020 . 1 . . . . 11 LEU HD1 . 16559 1
242 . 1 1 15 15 LEU HD21 H 1 0.778 0.020 . 1 . . . . 11 LEU HD2 . 16559 1
243 . 1 1 15 15 LEU HD22 H 1 0.778 0.020 . 1 . . . . 11 LEU HD2 . 16559 1
244 . 1 1 15 15 LEU HD23 H 1 0.778 0.020 . 1 . . . . 11 LEU HD2 . 16559 1
245 . 1 1 15 15 LEU HG H 1 1.727 0.020 . 1 . . . . 11 LEU HG . 16559 1
246 . 1 1 15 15 LEU C C 13 176.950 0.3 . 1 . . . . 11 LEU C . 16559 1
247 . 1 1 15 15 LEU CA C 13 55.210 0.3 . 1 . . . . 11 LEU CA . 16559 1
248 . 1 1 15 15 LEU CB C 13 42.571 0.3 . 1 . . . . 11 LEU CB . 16559 1
249 . 1 1 15 15 LEU CD1 C 13 28.160 0.3 . 1 . . . . 11 LEU CD1 . 16559 1
250 . 1 1 15 15 LEU CD2 C 13 24.333 0.3 . 1 . . . . 11 LEU CD2 . 16559 1
251 . 1 1 15 15 LEU CG C 13 27.067 0.3 . 1 . . . . 11 LEU CG . 16559 1
252 . 1 1 15 15 LEU N N 15 120.061 0.3 . 1 . . . . 11 LEU N . 16559 1
253 . 1 1 16 16 LYS H H 1 8.348 0.020 . 1 . . . . 12 LYS H . 16559 1
254 . 1 1 16 16 LYS HA H 1 4.562 0.020 . 1 . . . . 12 LYS HA . 16559 1
255 . 1 1 16 16 LYS HB2 H 1 1.634 0.020 . 2 . . . . 12 LYS HB2 . 16559 1
256 . 1 1 16 16 LYS HB3 H 1 1.533 0.020 . 2 . . . . 12 LYS HB3 . 16559 1
257 . 1 1 16 16 LYS HD2 H 1 1.617 0.020 . 1 . . . . 12 LYS HD2 . 16559 1
258 . 1 1 16 16 LYS HD3 H 1 1.617 0.020 . 1 . . . . 12 LYS HD3 . 16559 1
259 . 1 1 16 16 LYS HE2 H 1 2.929 0.020 . 1 . . . . 12 LYS HE2 . 16559 1
260 . 1 1 16 16 LYS HE3 H 1 2.929 0.020 . 1 . . . . 12 LYS HE3 . 16559 1
261 . 1 1 16 16 LYS HG2 H 1 1.361 0.020 . 2 . . . . 12 LYS HG2 . 16559 1
262 . 1 1 16 16 LYS HG3 H 1 1.266 0.020 . 2 . . . . 12 LYS HG3 . 16559 1
263 . 1 1 16 16 LYS C C 13 174.569 0.3 . 1 . . . . 12 LYS C . 16559 1
264 . 1 1 16 16 LYS CA C 13 54.262 0.3 . 1 . . . . 12 LYS CA . 16559 1
265 . 1 1 16 16 LYS CB C 13 33.329 0.3 . 1 . . . . 12 LYS CB . 16559 1
266 . 1 1 16 16 LYS CD C 13 28.981 0.3 . 1 . . . . 12 LYS CD . 16559 1
267 . 1 1 16 16 LYS CE C 13 42.104 0.3 . 1 . . . . 12 LYS CE . 16559 1
268 . 1 1 16 16 LYS CG C 13 24.606 0.3 . 1 . . . . 12 LYS CG . 16559 1
269 . 1 1 16 16 LYS N N 15 122.767 0.3 . 1 . . . . 12 LYS N . 16559 1
270 . 1 1 17 17 GLY H H 1 7.454 0.020 . 1 . . . . 13 GLY H . 16559 1
271 . 1 1 17 17 GLY HA2 H 1 4.046 0.020 . 2 . . . . 13 GLY HA2 . 16559 1
272 . 1 1 17 17 GLY HA3 H 1 3.681 0.020 . 2 . . . . 13 GLY HA3 . 16559 1
273 . 1 1 17 17 GLY C C 13 171.936 0.3 . 1 . . . . 13 GLY C . 16559 1
274 . 1 1 17 17 GLY CA C 13 44.395 0.3 . 1 . . . . 13 GLY CA . 16559 1
275 . 1 1 17 17 GLY N N 15 107.447 0.3 . 1 . . . . 13 GLY N . 16559 1
276 . 1 1 18 18 LYS H H 1 8.065 0.020 . 1 . . . . 14 LYS H . 16559 1
277 . 1 1 18 18 LYS HA H 1 4.541 0.020 . 1 . . . . 14 LYS HA . 16559 1
278 . 1 1 18 18 LYS HB2 H 1 1.654 0.020 . 1 . . . . 14 LYS HB2 . 16559 1
279 . 1 1 18 18 LYS HB3 H 1 1.654 0.020 . 1 . . . . 14 LYS HB3 . 16559 1
280 . 1 1 18 18 LYS HD2 H 1 1.652 0.020 . 1 . . . . 14 LYS HD2 . 16559 1
281 . 1 1 18 18 LYS HD3 H 1 1.652 0.020 . 1 . . . . 14 LYS HD3 . 16559 1
282 . 1 1 18 18 LYS HE2 H 1 2.939 0.020 . 1 . . . . 14 LYS HE2 . 16559 1
283 . 1 1 18 18 LYS HE3 H 1 2.939 0.020 . 1 . . . . 14 LYS HE3 . 16559 1
284 . 1 1 18 18 LYS HG2 H 1 1.450 0.020 . 2 . . . . 14 LYS HG2 . 16559 1
285 . 1 1 18 18 LYS HG3 H 1 1.284 0.020 . 2 . . . . 14 LYS HG3 . 16559 1
286 . 1 1 18 18 LYS C C 13 175.467 0.3 . 1 . . . . 14 LYS C . 16559 1
287 . 1 1 18 18 LYS CA C 13 54.589 0.3 . 1 . . . . 14 LYS CA . 16559 1
288 . 1 1 18 18 LYS CB C 13 34.870 0.3 . 1 . . . . 14 LYS CB . 16559 1
289 . 1 1 18 18 LYS CD C 13 29.254 0.3 . 1 . . . . 14 LYS CD . 16559 1
290 . 1 1 18 18 LYS CE C 13 42.104 0.3 . 1 . . . . 14 LYS CE . 16559 1
291 . 1 1 18 18 LYS CG C 13 24.880 0.3 . 1 . . . . 14 LYS CG . 16559 1
292 . 1 1 18 18 LYS N N 15 121.061 0.3 . 1 . . . . 14 LYS N . 16559 1
293 . 1 1 19 19 PHE H H 1 9.023 0.020 . 1 . . . . 15 PHE H . 16559 1
294 . 1 1 19 19 PHE HA H 1 5.361 0.020 . 1 . . . . 15 PHE HA . 16559 1
295 . 1 1 19 19 PHE HB2 H 1 3.030 0.020 . 2 . . . . 15 PHE HB2 . 16559 1
296 . 1 1 19 19 PHE HB3 H 1 2.953 0.020 . 2 . . . . 15 PHE HB3 . 16559 1
297 . 1 1 19 19 PHE HD1 H 1 7.247 0.020 . 1 . . . . 15 PHE HD1 . 16559 1
298 . 1 1 19 19 PHE HD2 H 1 7.247 0.020 . 1 . . . . 15 PHE HD2 . 16559 1
299 . 1 1 19 19 PHE HE1 H 1 7.201 0.020 . 1 . . . . 15 PHE HE1 . 16559 1
300 . 1 1 19 19 PHE HE2 H 1 7.201 0.020 . 1 . . . . 15 PHE HE2 . 16559 1
301 . 1 1 19 19 PHE HZ H 1 7.354 0.020 . 1 . . . . 15 PHE HZ . 16559 1
302 . 1 1 19 19 PHE C C 13 175.909 0.3 . 1 . . . . 15 PHE C . 16559 1
303 . 1 1 19 19 PHE CA C 13 57.731 0.3 . 1 . . . . 15 PHE CA . 16559 1
304 . 1 1 19 19 PHE CB C 13 39.790 0.3 . 1 . . . . 15 PHE CB . 16559 1
305 . 1 1 19 19 PHE CD1 C 13 131.485 0.3 . 1 . . . . 15 PHE CD1 . 16559 1
306 . 1 1 19 19 PHE CD2 C 13 131.485 0.3 . 1 . . . . 15 PHE CD2 . 16559 1
307 . 1 1 19 19 PHE CE1 C 13 131.198 0.3 . 1 . . . . 15 PHE CE1 . 16559 1
308 . 1 1 19 19 PHE CE2 C 13 131.198 0.3 . 1 . . . . 15 PHE CE2 . 16559 1
309 . 1 1 19 19 PHE CZ C 13 129.833 0.3 . 1 . . . . 15 PHE CZ . 16559 1
310 . 1 1 19 19 PHE N N 15 125.900 0.3 . 1 . . . . 15 PHE N . 16559 1
311 . 1 1 20 20 ILE H H 1 8.908 0.020 . 1 . . . . 16 ILE H . 16559 1
312 . 1 1 20 20 ILE HA H 1 4.353 0.020 . 1 . . . . 16 ILE HA . 16559 1
313 . 1 1 20 20 ILE HB H 1 1.516 0.020 . 1 . . . . 16 ILE HB . 16559 1
314 . 1 1 20 20 ILE HD11 H 1 0.654 0.020 . 1 . . . . 16 ILE HD1 . 16559 1
315 . 1 1 20 20 ILE HD12 H 1 0.654 0.020 . 1 . . . . 16 ILE HD1 . 16559 1
316 . 1 1 20 20 ILE HD13 H 1 0.654 0.020 . 1 . . . . 16 ILE HD1 . 16559 1
317 . 1 1 20 20 ILE HG12 H 1 1.287 0.020 . 2 . . . . 16 ILE HG12 . 16559 1
318 . 1 1 20 20 ILE HG13 H 1 1.201 0.020 . 2 . . . . 16 ILE HG13 . 16559 1
319 . 1 1 20 20 ILE HG21 H 1 0.739 0.020 . 1 . . . . 16 ILE HG2 . 16559 1
320 . 1 1 20 20 ILE HG22 H 1 0.739 0.020 . 1 . . . . 16 ILE HG2 . 16559 1
321 . 1 1 20 20 ILE HG23 H 1 0.739 0.020 . 1 . . . . 16 ILE HG2 . 16559 1
322 . 1 1 20 20 ILE C C 13 173.749 0.3 . 1 . . . . 16 ILE C . 16559 1
323 . 1 1 20 20 ILE CA C 13 59.667 0.3 . 1 . . . . 16 ILE CA . 16559 1
324 . 1 1 20 20 ILE CB C 13 42.071 0.3 . 1 . . . . 16 ILE CB . 16559 1
325 . 1 1 20 20 ILE CD1 C 13 13.944 0.3 . 1 . . . . 16 ILE CD1 . 16559 1
326 . 1 1 20 20 ILE CG1 C 13 27.887 0.3 . 1 . . . . 16 ILE CG1 . 16559 1
327 . 1 1 20 20 ILE CG2 C 13 18.318 0.3 . 1 . . . . 16 ILE CG2 . 16559 1
328 . 1 1 20 20 ILE N N 15 125.094 0.3 . 1 . . . . 16 ILE N . 16559 1
329 . 1 1 21 21 HIS H H 1 8.728 0.020 . 1 . . . . 17 HIS H . 16559 1
330 . 1 1 21 21 HIS HA H 1 5.623 0.020 . 1 . . . . 17 HIS HA . 16559 1
331 . 1 1 21 21 HIS HB2 H 1 3.160 0.020 . 1 . . . . 17 HIS HB2 . 16559 1
332 . 1 1 21 21 HIS HB3 H 1 3.160 0.020 . 1 . . . . 17 HIS HB3 . 16559 1
333 . 1 1 21 21 HIS HD2 H 1 7.166 0.020 . 1 . . . . 17 HIS HD2 . 16559 1
334 . 1 1 21 21 HIS HE1 H 1 8.339 0.020 . 1 . . . . 17 HIS HE1 . 16559 1
335 . 1 1 21 21 HIS C C 13 174.458 0.3 . 1 . . . . 17 HIS C . 16559 1
336 . 1 1 21 21 HIS CA C 13 53.931 0.3 . 1 . . . . 17 HIS CA . 16559 1
337 . 1 1 21 21 HIS CB C 13 31.162 0.3 . 1 . . . . 17 HIS CB . 16559 1
338 . 1 1 21 21 HIS CD2 C 13 119.823 0.3 . 1 . . . . 17 HIS CD2 . 16559 1
339 . 1 1 21 21 HIS CE1 C 13 135.985 0.3 . 1 . . . . 17 HIS CE1 . 16559 1
340 . 1 1 21 21 HIS N N 15 125.573 0.3 . 1 . . . . 17 HIS N . 16559 1
341 . 1 1 22 22 THR H H 1 8.499 0.020 . 1 . . . . 18 THR H . 16559 1
342 . 1 1 22 22 THR HA H 1 4.642 0.020 . 1 . . . . 18 THR HA . 16559 1
343 . 1 1 22 22 THR HB H 1 3.808 0.020 . 1 . . . . 18 THR HB . 16559 1
344 . 1 1 22 22 THR HG21 H 1 0.816 0.020 . 1 . . . . 18 THR HG2 . 16559 1
345 . 1 1 22 22 THR HG22 H 1 0.816 0.020 . 1 . . . . 18 THR HG2 . 16559 1
346 . 1 1 22 22 THR HG23 H 1 0.816 0.020 . 1 . . . . 18 THR HG2 . 16559 1
347 . 1 1 22 22 THR C C 13 170.012 0.3 . 1 . . . . 18 THR C . 16559 1
348 . 1 1 22 22 THR CA C 13 59.960 0.3 . 1 . . . . 18 THR CA . 16559 1
349 . 1 1 22 22 THR CB C 13 68.882 0.3 . 1 . . . . 18 THR CB . 16559 1
350 . 1 1 22 22 THR CG2 C 13 18.865 0.3 . 1 . . . . 18 THR CG2 . 16559 1
351 . 1 1 22 22 THR N N 15 118.051 0.3 . 1 . . . . 18 THR N . 16559 1
352 . 1 1 23 23 LYS H H 1 7.990 0.020 . 1 . . . . 19 LYS H . 16559 1
353 . 1 1 23 23 LYS HA H 1 5.597 0.020 . 1 . . . . 19 LYS HA . 16559 1
354 . 1 1 23 23 LYS HB2 H 1 1.731 0.020 . 2 . . . . 19 LYS HB2 . 16559 1
355 . 1 1 23 23 LYS HB3 H 1 1.684 0.020 . 2 . . . . 19 LYS HB3 . 16559 1
356 . 1 1 23 23 LYS HD2 H 1 1.696 0.020 . 1 . . . . 19 LYS HD2 . 16559 1
357 . 1 1 23 23 LYS HD3 H 1 1.696 0.020 . 1 . . . . 19 LYS HD3 . 16559 1
358 . 1 1 23 23 LYS HE2 H 1 2.947 0.020 . 1 . . . . 19 LYS HE2 . 16559 1
359 . 1 1 23 23 LYS HE3 H 1 2.947 0.020 . 1 . . . . 19 LYS HE3 . 16559 1
360 . 1 1 23 23 LYS HG2 H 1 1.342 0.020 . 2 . . . . 19 LYS HG2 . 16559 1
361 . 1 1 23 23 LYS HG3 H 1 1.190 0.020 . 2 . . . . 19 LYS HG3 . 16559 1
362 . 1 1 23 23 LYS C C 13 176.274 0.3 . 1 . . . . 19 LYS C . 16559 1
363 . 1 1 23 23 LYS CA C 13 54.583 0.3 . 1 . . . . 19 LYS CA . 16559 1
364 . 1 1 23 23 LYS CB C 13 35.281 0.3 . 1 . . . . 19 LYS CB . 16559 1
365 . 1 1 23 23 LYS CD C 13 29.254 0.3 . 1 . . . . 19 LYS CD . 16559 1
366 . 1 1 23 23 LYS CE C 13 42.104 0.3 . 1 . . . . 19 LYS CE . 16559 1
367 . 1 1 23 23 LYS CG C 13 24.333 0.3 . 1 . . . . 19 LYS CG . 16559 1
368 . 1 1 23 23 LYS N N 15 127.182 0.3 . 1 . . . . 19 LYS N . 16559 1
369 . 1 1 24 24 LEU H H 1 8.531 0.020 . 1 . . . . 20 LEU H . 16559 1
370 . 1 1 24 24 LEU HA H 1 5.009 0.020 . 1 . . . . 20 LEU HA . 16559 1
371 . 1 1 24 24 LEU HB2 H 1 1.776 0.020 . 2 . . . . 20 LEU HB2 . 16559 1
372 . 1 1 24 24 LEU HB3 H 1 1.477 0.020 . 2 . . . . 20 LEU HB3 . 16559 1
373 . 1 1 24 24 LEU HD11 H 1 0.925 0.020 . 1 . . . . 20 LEU HD1 . 16559 1
374 . 1 1 24 24 LEU HD12 H 1 0.925 0.020 . 1 . . . . 20 LEU HD1 . 16559 1
375 . 1 1 24 24 LEU HD13 H 1 0.925 0.020 . 1 . . . . 20 LEU HD1 . 16559 1
376 . 1 1 24 24 LEU HD21 H 1 0.885 0.020 . 1 . . . . 20 LEU HD2 . 16559 1
377 . 1 1 24 24 LEU HD22 H 1 0.885 0.020 . 1 . . . . 20 LEU HD2 . 16559 1
378 . 1 1 24 24 LEU HD23 H 1 0.885 0.020 . 1 . . . . 20 LEU HD2 . 16559 1
379 . 1 1 24 24 LEU HG H 1 1.534 0.020 . 1 . . . . 20 LEU HG . 16559 1
380 . 1 1 24 24 LEU C C 13 175.026 0.3 . 1 . . . . 20 LEU C . 16559 1
381 . 1 1 24 24 LEU CA C 13 52.543 0.3 . 1 . . . . 20 LEU CA . 16559 1
382 . 1 1 24 24 LEU CB C 13 47.348 0.3 . 1 . . . . 20 LEU CB . 16559 1
383 . 1 1 24 24 LEU CD1 C 13 23.786 0.3 . 1 . . . . 20 LEU CD1 . 16559 1
384 . 1 1 24 24 LEU CD2 C 13 26.520 0.3 . 1 . . . . 20 LEU CD2 . 16559 1
385 . 1 1 24 24 LEU CG C 13 26.427 0.3 . 1 . . . . 20 LEU CG . 16559 1
386 . 1 1 24 24 LEU N N 15 123.400 0.3 . 1 . . . . 20 LEU N . 16559 1
387 . 1 1 25 25 ARG H H 1 8.793 0.020 . 1 . . . . 21 ARG H . 16559 1
388 . 1 1 25 25 ARG HA H 1 4.857 0.020 . 1 . . . . 21 ARG HA . 16559 1
389 . 1 1 25 25 ARG HB2 H 1 1.732 0.020 . 2 . . . . 21 ARG HB2 . 16559 1
390 . 1 1 25 25 ARG HB3 H 1 1.630 0.020 . 2 . . . . 21 ARG HB3 . 16559 1
391 . 1 1 25 25 ARG HD2 H 1 3.173 0.020 . 2 . . . . 21 ARG HD2 . 16559 1
392 . 1 1 25 25 ARG HD3 H 1 3.121 0.020 . 2 . . . . 21 ARG HD3 . 16559 1
393 . 1 1 25 25 ARG HG2 H 1 1.359 0.020 . 2 . . . . 21 ARG HG2 . 16559 1
394 . 1 1 25 25 ARG HG3 H 1 1.283 0.020 . 2 . . . . 21 ARG HG3 . 16559 1
395 . 1 1 25 25 ARG C C 13 175.814 0.3 . 1 . . . . 21 ARG C . 16559 1
396 . 1 1 25 25 ARG CA C 13 54.844 0.3 . 1 . . . . 21 ARG CA . 16559 1
397 . 1 1 25 25 ARG CB C 13 31.233 0.3 . 1 . . . . 21 ARG CB . 16559 1
398 . 1 1 25 25 ARG CD C 13 43.198 0.3 . 1 . . . . 21 ARG CD . 16559 1
399 . 1 1 25 25 ARG CG C 13 27.340 0.3 . 1 . . . . 21 ARG CG . 16559 1
400 . 1 1 25 25 ARG N N 15 124.116 0.3 . 1 . . . . 21 ARG N . 16559 1
401 . 1 1 26 26 LYS H H 1 8.821 0.020 . 1 . . . . 22 LYS H . 16559 1
402 . 1 1 26 26 LYS HA H 1 3.020 0.020 . 1 . . . . 22 LYS HA . 16559 1
403 . 1 1 26 26 LYS HB2 H 1 1.814 0.020 . 2 . . . . 22 LYS HB2 . 16559 1
404 . 1 1 26 26 LYS HB3 H 1 1.113 0.020 . 2 . . . . 22 LYS HB3 . 16559 1
405 . 1 1 26 26 LYS HD2 H 1 1.453 0.020 . 2 . . . . 22 LYS HD2 . 16559 1
406 . 1 1 26 26 LYS HD3 H 1 1.101 0.020 . 2 . . . . 22 LYS HD3 . 16559 1
407 . 1 1 26 26 LYS HE2 H 1 2.677 0.020 . 2 . . . . 22 LYS HE2 . 16559 1
408 . 1 1 26 26 LYS HE3 H 1 2.593 0.020 . 2 . . . . 22 LYS HE3 . 16559 1
409 . 1 1 26 26 LYS HG2 H 1 1.384 0.020 . 2 . . . . 22 LYS HG2 . 16559 1
410 . 1 1 26 26 LYS HG3 H 1 -0.352 0.020 . 2 . . . . 22 LYS HG3 . 16559 1
411 . 1 1 26 26 LYS C C 13 176.666 0.3 . 1 . . . . 22 LYS C . 16559 1
412 . 1 1 26 26 LYS CA C 13 58.717 0.3 . 1 . . . . 22 LYS CA . 16559 1
413 . 1 1 26 26 LYS CB C 13 32.303 0.3 . 1 . . . . 22 LYS CB . 16559 1
414 . 1 1 26 26 LYS CD C 13 29.254 0.3 . 1 . . . . 22 LYS CD . 16559 1
415 . 1 1 26 26 LYS CE C 13 42.651 0.3 . 1 . . . . 22 LYS CE . 16559 1
416 . 1 1 26 26 LYS CG C 13 26.247 0.3 . 1 . . . . 22 LYS CG . 16559 1
417 . 1 1 26 26 LYS N N 15 127.509 0.3 . 1 . . . . 22 LYS N . 16559 1
418 . 1 1 27 27 SER H H 1 7.361 0.020 . 1 . . . . 23 SER H . 16559 1
419 . 1 1 27 27 SER HA H 1 4.877 0.020 . 1 . . . . 23 SER HA . 16559 1
420 . 1 1 27 27 SER HB2 H 1 4.441 0.020 . 2 . . . . 23 SER HB2 . 16559 1
421 . 1 1 27 27 SER HB3 H 1 4.047 0.020 . 2 . . . . 23 SER HB3 . 16559 1
422 . 1 1 27 27 SER CA C 13 57.438 0.3 . 1 . . . . 23 SER CA . 16559 1
423 . 1 1 27 27 SER CB C 13 67.265 0.3 . 1 . . . . 23 SER CB . 16559 1
424 . 1 1 27 27 SER N N 15 126.811 0.3 . 1 . . . . 23 SER N . 16559 1
425 . 1 1 28 28 SER HA H 1 4.114 0.020 . 1 . . . . 24 SER HA . 16559 1
426 . 1 1 28 28 SER HB2 H 1 4.025 0.020 . 2 . . . . 24 SER HB2 . 16559 1
427 . 1 1 28 28 SER HB3 H 1 3.962 0.020 . 2 . . . . 24 SER HB3 . 16559 1
428 . 1 1 28 28 SER C C 13 174.648 0.3 . 1 . . . . 24 SER C . 16559 1
429 . 1 1 28 28 SER CA C 13 61.348 0.3 . 1 . . . . 24 SER CA . 16559 1
430 . 1 1 28 28 SER CB C 13 62.108 0.3 . 1 . . . . 24 SER CB . 16559 1
431 . 1 1 29 29 ARG H H 1 7.902 0.020 . 1 . . . . 25 ARG H . 16559 1
432 . 1 1 29 29 ARG HA H 1 4.454 0.020 . 1 . . . . 25 ARG HA . 16559 1
433 . 1 1 29 29 ARG HB2 H 1 2.056 0.020 . 2 . . . . 25 ARG HB2 . 16559 1
434 . 1 1 29 29 ARG HB3 H 1 1.444 0.020 . 2 . . . . 25 ARG HB3 . 16559 1
435 . 1 1 29 29 ARG HD2 H 1 3.144 0.020 . 1 . . . . 25 ARG HD2 . 16559 1
436 . 1 1 29 29 ARG HD3 H 1 3.144 0.020 . 1 . . . . 25 ARG HD3 . 16559 1
437 . 1 1 29 29 ARG HG2 H 1 1.605 0.020 . 2 . . . . 25 ARG HG2 . 16559 1
438 . 1 1 29 29 ARG HG3 H 1 1.562 0.020 . 2 . . . . 25 ARG HG3 . 16559 1
439 . 1 1 29 29 ARG C C 13 175.341 0.3 . 1 . . . . 25 ARG C . 16559 1
440 . 1 1 29 29 ARG CA C 13 54.822 0.3 . 1 . . . . 25 ARG CA . 16559 1
441 . 1 1 29 29 ARG CB C 13 29.659 0.3 . 1 . . . . 25 ARG CB . 16559 1
442 . 1 1 29 29 ARG CD C 13 43.198 0.3 . 1 . . . . 25 ARG CD . 16559 1
443 . 1 1 29 29 ARG CG C 13 26.793 0.3 . 1 . . . . 25 ARG CG . 16559 1
444 . 1 1 29 29 ARG N N 15 119.508 0.3 . 1 . . . . 25 ARG N . 16559 1
445 . 1 1 30 30 GLY H H 1 7.781 0.020 . 1 . . . . 26 GLY H . 16559 1
446 . 1 1 30 30 GLY HA2 H 1 4.451 0.020 . 2 . . . . 26 GLY HA2 . 16559 1
447 . 1 1 30 30 GLY HA3 H 1 3.168 0.020 . 2 . . . . 26 GLY HA3 . 16559 1
448 . 1 1 30 30 GLY CA C 13 44.473 0.3 . 1 . . . . 26 GLY CA . 16559 1
449 . 1 1 30 30 GLY N N 15 108.525 0.3 . 1 . . . . 26 GLY N . 16559 1
450 . 1 1 31 31 PHE HA H 1 4.469 0.020 . 1 . . . . 27 PHE HA . 16559 1
451 . 1 1 31 31 PHE HB2 H 1 3.127 0.020 . 2 . . . . 27 PHE HB2 . 16559 1
452 . 1 1 31 31 PHE HB3 H 1 2.404 0.020 . 2 . . . . 27 PHE HB3 . 16559 1
453 . 1 1 31 31 PHE HD1 H 1 7.099 0.020 . 1 . . . . 27 PHE HD1 . 16559 1
454 . 1 1 31 31 PHE HD2 H 1 7.099 0.020 . 1 . . . . 27 PHE HD2 . 16559 1
455 . 1 1 31 31 PHE HE1 H 1 7.628 0.020 . 1 . . . . 27 PHE HE1 . 16559 1
456 . 1 1 31 31 PHE HE2 H 1 7.628 0.020 . 1 . . . . 27 PHE HE2 . 16559 1
457 . 1 1 31 31 PHE HZ H 1 7.295 0.020 . 1 . . . . 27 PHE HZ . 16559 1
458 . 1 1 31 31 PHE C C 13 176.681 0.3 . 1 . . . . 27 PHE C . 16559 1
459 . 1 1 31 31 PHE CA C 13 61.294 0.3 . 1 . . . . 27 PHE CA . 16559 1
460 . 1 1 31 31 PHE CB C 13 40.749 0.3 . 1 . . . . 27 PHE CB . 16559 1
461 . 1 1 31 31 PHE CD1 C 13 131.533 0.3 . 1 . . . . 27 PHE CD1 . 16559 1
462 . 1 1 31 31 PHE CD2 C 13 131.533 0.3 . 1 . . . . 27 PHE CD2 . 16559 1
463 . 1 1 31 31 PHE CE1 C 13 132.418 0.3 . 1 . . . . 27 PHE CE1 . 16559 1
464 . 1 1 31 31 PHE CE2 C 13 132.418 0.3 . 1 . . . . 27 PHE CE2 . 16559 1
465 . 1 1 31 31 PHE CZ C 13 129.762 0.3 . 1 . . . . 27 PHE CZ . 16559 1
466 . 1 1 32 32 GLY H H 1 9.654 0.020 . 1 . . . . 28 GLY H . 16559 1
467 . 1 1 32 32 GLY HA2 H 1 4.345 0.020 . 2 . . . . 28 GLY HA2 . 16559 1
468 . 1 1 32 32 GLY HA3 H 1 4.007 0.020 . 2 . . . . 28 GLY HA3 . 16559 1
469 . 1 1 32 32 GLY C C 13 175.893 0.3 . 1 . . . . 28 GLY C . 16559 1
470 . 1 1 32 32 GLY CA C 13 45.893 0.3 . 1 . . . . 28 GLY CA . 16559 1
471 . 1 1 32 32 GLY N N 15 107.386 0.3 . 1 . . . . 28 GLY N . 16559 1
472 . 1 1 33 33 PHE H H 1 7.811 0.020 . 1 . . . . 29 PHE H . 16559 1
473 . 1 1 33 33 PHE HA H 1 5.563 0.020 . 1 . . . . 29 PHE HA . 16559 1
474 . 1 1 33 33 PHE HB2 H 1 3.167 0.020 . 2 . . . . 29 PHE HB2 . 16559 1
475 . 1 1 33 33 PHE HB3 H 1 2.934 0.020 . 2 . . . . 29 PHE HB3 . 16559 1
476 . 1 1 33 33 PHE HD1 H 1 6.612 0.020 . 1 . . . . 29 PHE HD1 . 16559 1
477 . 1 1 33 33 PHE HD2 H 1 6.612 0.020 . 1 . . . . 29 PHE HD2 . 16559 1
478 . 1 1 33 33 PHE HE1 H 1 6.347 0.020 . 1 . . . . 29 PHE HE1 . 16559 1
479 . 1 1 33 33 PHE HE2 H 1 6.347 0.020 . 1 . . . . 29 PHE HE2 . 16559 1
480 . 1 1 33 33 PHE HZ H 1 5.916 0.020 . 1 . . . . 29 PHE HZ . 16559 1
481 . 1 1 33 33 PHE C C 13 171.983 0.3 . 1 . . . . 29 PHE C . 16559 1
482 . 1 1 33 33 PHE CA C 13 55.867 0.3 . 1 . . . . 29 PHE CA . 16559 1
483 . 1 1 33 33 PHE CB C 13 41.358 0.3 . 1 . . . . 29 PHE CB . 16559 1
484 . 1 1 33 33 PHE CD1 C 13 132.602 0.3 . 1 . . . . 29 PHE CD1 . 16559 1
485 . 1 1 33 33 PHE CD2 C 13 132.602 0.3 . 1 . . . . 29 PHE CD2 . 16559 1
486 . 1 1 33 33 PHE CE1 C 13 129.790 0.3 . 1 . . . . 29 PHE CE1 . 16559 1
487 . 1 1 33 33 PHE CE2 C 13 129.790 0.3 . 1 . . . . 29 PHE CE2 . 16559 1
488 . 1 1 33 33 PHE CZ C 13 128.615 0.3 . 1 . . . . 29 PHE CZ . 16559 1
489 . 1 1 33 33 PHE N N 15 119.259 0.3 . 1 . . . . 29 PHE N . 16559 1
490 . 1 1 34 34 THR H H 1 9.092 0.020 . 1 . . . . 30 THR H . 16559 1
491 . 1 1 34 34 THR HA H 1 5.726 0.020 . 1 . . . . 30 THR HA . 16559 1
492 . 1 1 34 34 THR HB H 1 4.171 0.020 . 1 . . . . 30 THR HB . 16559 1
493 . 1 1 34 34 THR HG21 H 1 1.031 0.020 . 1 . . . . 30 THR HG2 . 16559 1
494 . 1 1 34 34 THR HG22 H 1 1.031 0.020 . 1 . . . . 30 THR HG2 . 16559 1
495 . 1 1 34 34 THR HG23 H 1 1.031 0.020 . 1 . . . . 30 THR HG2 . 16559 1
496 . 1 1 34 34 THR C C 13 174.017 0.3 . 1 . . . . 30 THR C . 16559 1
497 . 1 1 34 34 THR CA C 13 58.571 0.3 . 1 . . . . 30 THR CA . 16559 1
498 . 1 1 34 34 THR CB C 13 70.593 0.3 . 1 . . . . 30 THR CB . 16559 1
499 . 1 1 34 34 THR CG2 C 13 21.872 0.3 . 1 . . . . 30 THR CG2 . 16559 1
500 . 1 1 34 34 THR N N 15 112.197 0.3 . 1 . . . . 30 THR N . 16559 1
501 . 1 1 35 35 VAL H H 1 8.888 0.020 . 1 . . . . 31 VAL H . 16559 1
502 . 1 1 35 35 VAL HA H 1 5.399 0.020 . 1 . . . . 31 VAL HA . 16559 1
503 . 1 1 35 35 VAL HB H 1 1.966 0.020 . 1 . . . . 31 VAL HB . 16559 1
504 . 1 1 35 35 VAL HG11 H 1 0.909 0.020 . 1 . . . . 31 VAL HG1 . 16559 1
505 . 1 1 35 35 VAL HG12 H 1 0.909 0.020 . 1 . . . . 31 VAL HG1 . 16559 1
506 . 1 1 35 35 VAL HG13 H 1 0.909 0.020 . 1 . . . . 31 VAL HG1 . 16559 1
507 . 1 1 35 35 VAL HG21 H 1 0.874 0.020 . 1 . . . . 31 VAL HG2 . 16559 1
508 . 1 1 35 35 VAL HG22 H 1 0.874 0.020 . 1 . . . . 31 VAL HG2 . 16559 1
509 . 1 1 35 35 VAL HG23 H 1 0.874 0.020 . 1 . . . . 31 VAL HG2 . 16559 1
510 . 1 1 35 35 VAL C C 13 175.121 0.3 . 1 . . . . 31 VAL C . 16559 1
511 . 1 1 35 35 VAL CA C 13 59.192 0.3 . 1 . . . . 31 VAL CA . 16559 1
512 . 1 1 35 35 VAL CB C 13 35.084 0.3 . 1 . . . . 31 VAL CB . 16559 1
513 . 1 1 35 35 VAL CG1 C 13 22.692 0.3 . 1 . . . . 31 VAL CG1 . 16559 1
514 . 1 1 35 35 VAL CG2 C 13 20.779 0.3 . 1 . . . . 31 VAL CG2 . 16559 1
515 . 1 1 35 35 VAL N N 15 120.351 0.3 . 1 . . . . 31 VAL N . 16559 1
516 . 1 1 36 36 VAL H H 1 9.263 0.020 . 1 . . . . 32 VAL H . 16559 1
517 . 1 1 36 36 VAL HA H 1 5.331 0.020 . 1 . . . . 32 VAL HA . 16559 1
518 . 1 1 36 36 VAL HB H 1 2.612 0.020 . 1 . . . . 32 VAL HB . 16559 1
519 . 1 1 36 36 VAL HG11 H 1 1.184 0.020 . 1 . . . . 32 VAL HG1 . 16559 1
520 . 1 1 36 36 VAL HG12 H 1 1.184 0.020 . 1 . . . . 32 VAL HG1 . 16559 1
521 . 1 1 36 36 VAL HG13 H 1 1.184 0.020 . 1 . . . . 32 VAL HG1 . 16559 1
522 . 1 1 36 36 VAL HG21 H 1 0.895 0.020 . 1 . . . . 32 VAL HG2 . 16559 1
523 . 1 1 36 36 VAL HG22 H 1 0.895 0.020 . 1 . . . . 32 VAL HG2 . 16559 1
524 . 1 1 36 36 VAL HG23 H 1 0.895 0.020 . 1 . . . . 32 VAL HG2 . 16559 1
525 . 1 1 36 36 VAL C C 13 174.443 0.3 . 1 . . . . 32 VAL C . 16559 1
526 . 1 1 36 36 VAL CA C 13 59.272 0.3 . 1 . . . . 32 VAL CA . 16559 1
527 . 1 1 36 36 VAL CB C 13 36.688 0.3 . 1 . . . . 32 VAL CB . 16559 1
528 . 1 1 36 36 VAL CG1 C 13 22.416 0.3 . 1 . . . . 32 VAL CG1 . 16559 1
529 . 1 1 36 36 VAL CG2 C 13 18.318 0.3 . 1 . . . . 32 VAL CG2 . 16559 1
530 . 1 1 36 36 VAL N N 15 117.481 0.3 . 1 . . . . 32 VAL N . 16559 1
531 . 1 1 37 37 GLY H H 1 10.365 0.020 . 1 . . . . 33 GLY H . 16559 1
532 . 1 1 37 37 GLY HA2 H 1 5.418 0.020 . 2 . . . . 33 GLY HA2 . 16559 1
533 . 1 1 37 37 GLY HA3 H 1 3.922 0.020 . 2 . . . . 33 GLY HA3 . 16559 1
534 . 1 1 37 37 GLY C C 13 175.089 0.3 . 1 . . . . 33 GLY C . 16559 1
535 . 1 1 37 37 GLY CA C 13 43.527 0.3 . 1 . . . . 33 GLY CA . 16559 1
536 . 1 1 37 37 GLY N N 15 109.745 0.3 . 1 . . . . 33 GLY N . 16559 1
537 . 1 1 38 38 GLY H H 1 8.228 0.020 . 1 . . . . 34 GLY H . 16559 1
538 . 1 1 38 38 GLY HA2 H 1 4.198 0.020 . 2 . . . . 34 GLY HA2 . 16559 1
539 . 1 1 38 38 GLY HA3 H 1 4.042 0.020 . 2 . . . . 34 GLY HA3 . 16559 1
540 . 1 1 38 38 GLY C C 13 175.862 0.3 . 1 . . . . 34 GLY C . 16559 1
541 . 1 1 38 38 GLY CA C 13 46.331 0.3 . 1 . . . . 34 GLY CA . 16559 1
542 . 1 1 38 38 GLY N N 15 104.686 0.3 . 1 . . . . 34 GLY N . 16559 1
543 . 1 1 39 39 ASP H H 1 8.863 0.020 . 1 . . . . 35 ASP H . 16559 1
544 . 1 1 39 39 ASP HA H 1 4.694 0.020 . 1 . . . . 35 ASP HA . 16559 1
545 . 1 1 39 39 ASP HB2 H 1 2.703 0.020 . 2 . . . . 35 ASP HB2 . 16559 1
546 . 1 1 39 39 ASP HB3 H 1 2.643 0.020 . 2 . . . . 35 ASP HB3 . 16559 1
547 . 1 1 39 39 ASP C C 13 175.877 0.3 . 1 . . . . 35 ASP C . 16559 1
548 . 1 1 39 39 ASP CA C 13 55.466 0.3 . 1 . . . . 35 ASP CA . 16559 1
549 . 1 1 39 39 ASP CB C 13 40.827 0.3 . 1 . . . . 35 ASP CB . 16559 1
550 . 1 1 39 39 ASP N N 15 121.674 0.3 . 1 . . . . 35 ASP N . 16559 1
551 . 1 1 40 40 GLU H H 1 7.534 0.020 . 1 . . . . 36 GLU H . 16559 1
552 . 1 1 40 40 GLU HA H 1 4.605 0.020 . 1 . . . . 36 GLU HA . 16559 1
553 . 1 1 40 40 GLU HB2 H 1 2.043 0.020 . 2 . . . . 36 GLU HB2 . 16559 1
554 . 1 1 40 40 GLU HB3 H 1 1.512 0.020 . 2 . . . . 36 GLU HB3 . 16559 1
555 . 1 1 40 40 GLU HG2 H 1 2.213 0.020 . 2 . . . . 36 GLU HG2 . 16559 1
556 . 1 1 40 40 GLU HG3 H 1 2.140 0.020 . 2 . . . . 36 GLU HG3 . 16559 1
557 . 1 1 40 40 GLU CA C 13 53.061 0.3 . 1 . . . . 36 GLU CA . 16559 1
558 . 1 1 40 40 GLU CB C 13 30.682 0.3 . 1 . . . . 36 GLU CB . 16559 1
559 . 1 1 40 40 GLU CG C 13 35.542 0.3 . 1 . . . . 36 GLU CG . 16559 1
560 . 1 1 40 40 GLU N N 15 118.153 0.3 . 1 . . . . 36 GLU N . 16559 1
561 . 1 1 41 41 PRO HA H 1 4.090 0.020 . 1 . . . . 37 PRO HA . 16559 1
562 . 1 1 41 41 PRO HB2 H 1 2.159 0.020 . 2 . . . . 37 PRO HB2 . 16559 1
563 . 1 1 41 41 PRO HB3 H 1 1.653 0.020 . 2 . . . . 37 PRO HB3 . 16559 1
564 . 1 1 41 41 PRO HD2 H 1 3.649 0.020 . 2 . . . . 37 PRO HD2 . 16559 1
565 . 1 1 41 41 PRO HD3 H 1 3.598 0.020 . 2 . . . . 37 PRO HD3 . 16559 1
566 . 1 1 41 41 PRO HG2 H 1 1.940 0.020 . 2 . . . . 37 PRO HG2 . 16559 1
567 . 1 1 41 41 PRO HG3 H 1 1.843 0.020 . 2 . . . . 37 PRO HG3 . 16559 1
568 . 1 1 41 41 PRO C C 13 175.199 0.3 . 1 . . . . 37 PRO C . 16559 1
569 . 1 1 41 41 PRO CA C 13 63.065 0.3 . 1 . . . . 37 PRO CA . 16559 1
570 . 1 1 41 41 PRO CB C 13 31.946 0.3 . 1 . . . . 37 PRO CB . 16559 1
571 . 1 1 41 41 PRO CD C 13 50.580 0.3 . 1 . . . . 37 PRO CD . 16559 1
572 . 1 1 41 41 PRO CG C 13 27.340 0.3 . 1 . . . . 37 PRO CG . 16559 1
573 . 1 1 42 42 ASP H H 1 7.846 0.020 . 1 . . . . 38 ASP H . 16559 1
574 . 1 1 42 42 ASP HA H 1 2.727 0.020 . 1 . . . . 38 ASP HA . 16559 1
575 . 1 1 42 42 ASP HB2 H 1 2.423 0.020 . 2 . . . . 38 ASP HB2 . 16559 1
576 . 1 1 42 42 ASP HB3 H 1 2.006 0.020 . 2 . . . . 38 ASP HB3 . 16559 1
577 . 1 1 42 42 ASP C C 13 172.929 0.3 . 1 . . . . 38 ASP C . 16559 1
578 . 1 1 42 42 ASP CA C 13 53.017 0.3 . 1 . . . . 38 ASP CA . 16559 1
579 . 1 1 42 42 ASP CB C 13 37.703 0.3 . 1 . . . . 38 ASP CB . 16559 1
580 . 1 1 42 42 ASP N N 15 117.610 0.3 . 1 . . . . 38 ASP N . 16559 1
581 . 1 1 43 43 GLU H H 1 6.876 0.020 . 1 . . . . 39 GLU H . 16559 1
582 . 1 1 43 43 GLU HA H 1 4.223 0.020 . 1 . . . . 39 GLU HA . 16559 1
583 . 1 1 43 43 GLU HB2 H 1 1.974 0.020 . 2 . . . . 39 GLU HB2 . 16559 1
584 . 1 1 43 43 GLU HB3 H 1 1.713 0.020 . 2 . . . . 39 GLU HB3 . 16559 1
585 . 1 1 43 43 GLU HG2 H 1 2.281 0.020 . 2 . . . . 39 GLU HG2 . 16559 1
586 . 1 1 43 43 GLU HG3 H 1 2.149 0.020 . 2 . . . . 39 GLU HG3 . 16559 1
587 . 1 1 43 43 GLU C C 13 176.693 0.3 . 1 . . . . 39 GLU C . 16559 1
588 . 1 1 43 43 GLU CA C 13 54.337 0.3 . 1 . . . . 39 GLU CA . 16559 1
589 . 1 1 43 43 GLU CB C 13 34.302 0.3 . 1 . . . . 39 GLU CB . 16559 1
590 . 1 1 43 43 GLU CG C 13 36.636 0.3 . 1 . . . . 39 GLU CG . 16559 1
591 . 1 1 43 43 GLU N N 15 115.259 0.3 . 1 . . . . 39 GLU N . 16559 1
592 . 1 1 44 44 PHE H H 1 8.533 0.020 . 1 . . . . 40 PHE H . 16559 1
593 . 1 1 44 44 PHE HA H 1 5.002 0.020 . 1 . . . . 40 PHE HA . 16559 1
594 . 1 1 44 44 PHE HB2 H 1 3.248 0.020 . 2 . . . . 40 PHE HB2 . 16559 1
595 . 1 1 44 44 PHE HB3 H 1 2.865 0.020 . 2 . . . . 40 PHE HB3 . 16559 1
596 . 1 1 44 44 PHE HD1 H 1 7.232 0.020 . 1 . . . . 40 PHE HD1 . 16559 1
597 . 1 1 44 44 PHE HD2 H 1 7.232 0.020 . 1 . . . . 40 PHE HD2 . 16559 1
598 . 1 1 44 44 PHE HE1 H 1 6.911 0.020 . 1 . . . . 40 PHE HE1 . 16559 1
599 . 1 1 44 44 PHE HE2 H 1 6.911 0.020 . 1 . . . . 40 PHE HE2 . 16559 1
600 . 1 1 44 44 PHE HZ H 1 6.715 0.020 . 1 . . . . 40 PHE HZ . 16559 1
601 . 1 1 44 44 PHE C C 13 175.657 0.3 . 1 . . . . 40 PHE C . 16559 1
602 . 1 1 44 44 PHE CA C 13 56.269 0.3 . 1 . . . . 40 PHE CA . 16559 1
603 . 1 1 44 44 PHE CB C 13 40.431 0.3 . 1 . . . . 40 PHE CB . 16559 1
604 . 1 1 44 44 PHE CD1 C 13 131.820 0.3 . 1 . . . . 40 PHE CD1 . 16559 1
605 . 1 1 44 44 PHE CD2 C 13 131.820 0.3 . 1 . . . . 40 PHE CD2 . 16559 1
606 . 1 1 44 44 PHE CE1 C 13 131.389 0.3 . 1 . . . . 40 PHE CE1 . 16559 1
607 . 1 1 44 44 PHE CE2 C 13 131.389 0.3 . 1 . . . . 40 PHE CE2 . 16559 1
608 . 1 1 44 44 PHE CZ C 13 129.187 0.3 . 1 . . . . 40 PHE CZ . 16559 1
609 . 1 1 44 44 PHE N N 15 122.831 0.3 . 1 . . . . 40 PHE N . 16559 1
610 . 1 1 45 45 LEU H H 1 9.335 0.020 . 1 . . . . 41 LEU H . 16559 1
611 . 1 1 45 45 LEU HA H 1 5.085 0.020 . 1 . . . . 41 LEU HA . 16559 1
612 . 1 1 45 45 LEU HB2 H 1 2.022 0.020 . 2 . . . . 41 LEU HB2 . 16559 1
613 . 1 1 45 45 LEU HB3 H 1 1.347 0.020 . 2 . . . . 41 LEU HB3 . 16559 1
614 . 1 1 45 45 LEU HD11 H 1 0.908 0.020 . 1 . . . . 41 LEU HD1 . 16559 1
615 . 1 1 45 45 LEU HD12 H 1 0.908 0.020 . 1 . . . . 41 LEU HD1 . 16559 1
616 . 1 1 45 45 LEU HD13 H 1 0.908 0.020 . 1 . . . . 41 LEU HD1 . 16559 1
617 . 1 1 45 45 LEU HD21 H 1 0.829 0.020 . 1 . . . . 41 LEU HD2 . 16559 1
618 . 1 1 45 45 LEU HD22 H 1 0.829 0.020 . 1 . . . . 41 LEU HD2 . 16559 1
619 . 1 1 45 45 LEU HD23 H 1 0.829 0.020 . 1 . . . . 41 LEU HD2 . 16559 1
620 . 1 1 45 45 LEU HG H 1 1.934 0.020 . 1 . . . . 41 LEU HG . 16559 1
621 . 1 1 45 45 LEU C C 13 177.139 0.3 . 1 . . . . 41 LEU C . 16559 1
622 . 1 1 45 45 LEU CA C 13 53.493 0.3 . 1 . . . . 41 LEU CA . 16559 1
623 . 1 1 45 45 LEU CB C 13 42.785 0.3 . 1 . . . . 41 LEU CB . 16559 1
624 . 1 1 45 45 LEU CD1 C 13 25.153 0.3 . 1 . . . . 41 LEU CD1 . 16559 1
625 . 1 1 45 45 LEU CD2 C 13 24.880 0.3 . 1 . . . . 41 LEU CD2 . 16559 1
626 . 1 1 45 45 LEU CG C 13 26.793 0.3 . 1 . . . . 41 LEU CG . 16559 1
627 . 1 1 45 45 LEU N N 15 124.500 0.3 . 1 . . . . 41 LEU N . 16559 1
628 . 1 1 46 46 GLN H H 1 9.389 0.020 . 1 . . . . 42 GLN H . 16559 1
629 . 1 1 46 46 GLN HA H 1 5.603 0.020 . 1 . . . . 42 GLN HA . 16559 1
630 . 1 1 46 46 GLN HB2 H 1 1.675 0.020 . 2 . . . . 42 GLN HB2 . 16559 1
631 . 1 1 46 46 GLN HB3 H 1 1.586 0.020 . 2 . . . . 42 GLN HB3 . 16559 1
632 . 1 1 46 46 GLN HE21 H 1 7.875 0.020 . 1 . . . . 42 GLN HE21 . 16559 1
633 . 1 1 46 46 GLN HE22 H 1 6.529 0.020 . 1 . . . . 42 GLN HE22 . 16559 1
634 . 1 1 46 46 GLN HG2 H 1 2.256 0.020 . 2 . . . . 42 GLN HG2 . 16559 1
635 . 1 1 46 46 GLN HG3 H 1 1.868 0.020 . 2 . . . . 42 GLN HG3 . 16559 1
636 . 1 1 46 46 GLN C C 13 174.742 0.3 . 1 . . . . 42 GLN C . 16559 1
637 . 1 1 46 46 GLN CA C 13 53.200 0.3 . 1 . . . . 42 GLN CA . 16559 1
638 . 1 1 46 46 GLN CB C 13 37.223 0.3 . 1 . . . . 42 GLN CB . 16559 1
639 . 1 1 46 46 GLN CD C 13 178.905 0.3 . 1 . . . . 42 GLN CD . 16559 1
640 . 1 1 46 46 GLN CG C 13 38.276 0.3 . 1 . . . . 42 GLN CG . 16559 1
641 . 1 1 46 46 GLN N N 15 121.852 0.3 . 1 . . . . 42 GLN N . 16559 1
642 . 1 1 46 46 GLN NE2 N 15 111.619 0.3 . 1 . . . . 42 GLN NE2 . 16559 1
643 . 1 1 47 47 ILE H H 1 8.441 0.020 . 1 . . . . 43 ILE H . 16559 1
644 . 1 1 47 47 ILE HA H 1 4.493 0.020 . 1 . . . . 43 ILE HA . 16559 1
645 . 1 1 47 47 ILE HB H 1 2.076 0.020 . 1 . . . . 43 ILE HB . 16559 1
646 . 1 1 47 47 ILE HD11 H 1 0.231 0.020 . 1 . . . . 43 ILE HD1 . 16559 1
647 . 1 1 47 47 ILE HD12 H 1 0.231 0.020 . 1 . . . . 43 ILE HD1 . 16559 1
648 . 1 1 47 47 ILE HD13 H 1 0.231 0.020 . 1 . . . . 43 ILE HD1 . 16559 1
649 . 1 1 47 47 ILE HG12 H 1 1.489 0.020 . 2 . . . . 43 ILE HG12 . 16559 1
650 . 1 1 47 47 ILE HG13 H 1 1.074 0.020 . 2 . . . . 43 ILE HG13 . 16559 1
651 . 1 1 47 47 ILE HG21 H 1 0.651 0.020 . 1 . . . . 43 ILE HG2 . 16559 1
652 . 1 1 47 47 ILE HG22 H 1 0.651 0.020 . 1 . . . . 43 ILE HG2 . 16559 1
653 . 1 1 47 47 ILE HG23 H 1 0.651 0.020 . 1 . . . . 43 ILE HG2 . 16559 1
654 . 1 1 47 47 ILE C C 13 176.492 0.3 . 1 . . . . 43 ILE C . 16559 1
655 . 1 1 47 47 ILE CA C 13 58.462 0.3 . 1 . . . . 43 ILE CA . 16559 1
656 . 1 1 47 47 ILE CB C 13 36.724 0.3 . 1 . . . . 43 ILE CB . 16559 1
657 . 1 1 47 47 ILE CD1 C 13 11.483 0.3 . 1 . . . . 43 ILE CD1 . 16559 1
658 . 1 1 47 47 ILE CG1 C 13 27.067 0.3 . 1 . . . . 43 ILE CG1 . 16559 1
659 . 1 1 47 47 ILE CG2 C 13 17.498 0.3 . 1 . . . . 43 ILE CG2 . 16559 1
660 . 1 1 47 47 ILE N N 15 119.767 0.3 . 1 . . . . 43 ILE N . 16559 1
661 . 1 1 48 48 LYS H H 1 9.108 0.020 . 1 . . . . 44 LYS H . 16559 1
662 . 1 1 48 48 LYS HA H 1 4.735 0.020 . 1 . . . . 44 LYS HA . 16559 1
663 . 1 1 48 48 LYS HB2 H 1 1.942 0.020 . 2 . . . . 44 LYS HB2 . 16559 1
664 . 1 1 48 48 LYS HB3 H 1 1.632 0.020 . 2 . . . . 44 LYS HB3 . 16559 1
665 . 1 1 48 48 LYS C C 13 174.758 0.3 . 1 . . . . 44 LYS C . 16559 1
666 . 1 1 48 48 LYS CA C 13 57.190 0.3 . 1 . . . . 44 LYS CA . 16559 1
667 . 1 1 48 48 LYS CB C 13 33.985 0.3 . 1 . . . . 44 LYS CB . 16559 1
668 . 1 1 48 48 LYS N N 15 129.991 0.3 . 1 . . . . 44 LYS N . 16559 1
669 . 1 1 49 49 SER H H 1 8.146 0.020 . 1 . . . . 45 SER H . 16559 1
670 . 1 1 49 49 SER HA H 1 4.760 0.020 . 1 . . . . 45 SER HA . 16559 1
671 . 1 1 49 49 SER HB2 H 1 3.885 0.020 . 2 . . . . 45 SER HB2 . 16559 1
672 . 1 1 49 49 SER HB3 H 1 3.851 0.020 . 2 . . . . 45 SER HB3 . 16559 1
673 . 1 1 49 49 SER C C 13 171.936 0.3 . 1 . . . . 45 SER C . 16559 1
674 . 1 1 49 49 SER CA C 13 57.475 0.3 . 1 . . . . 45 SER CA . 16559 1
675 . 1 1 49 49 SER CB C 13 64.960 0.3 . 1 . . . . 45 SER CB . 16559 1
676 . 1 1 49 49 SER N N 15 113.985 0.3 . 1 . . . . 45 SER N . 16559 1
677 . 1 1 50 50 LEU H H 1 8.648 0.020 . 1 . . . . 46 LEU H . 16559 1
678 . 1 1 50 50 LEU HA H 1 4.897 0.020 . 1 . . . . 46 LEU HA . 16559 1
679 . 1 1 50 50 LEU HB2 H 1 1.720 0.020 . 2 . . . . 46 LEU HB2 . 16559 1
680 . 1 1 50 50 LEU HB3 H 1 1.327 0.020 . 2 . . . . 46 LEU HB3 . 16559 1
681 . 1 1 50 50 LEU HD11 H 1 0.740 0.020 . 1 . . . . 46 LEU HD1 . 16559 1
682 . 1 1 50 50 LEU HD12 H 1 0.740 0.020 . 1 . . . . 46 LEU HD1 . 16559 1
683 . 1 1 50 50 LEU HD13 H 1 0.740 0.020 . 1 . . . . 46 LEU HD1 . 16559 1
684 . 1 1 50 50 LEU HD21 H 1 0.648 0.020 . 1 . . . . 46 LEU HD2 . 16559 1
685 . 1 1 50 50 LEU HD22 H 1 0.648 0.020 . 1 . . . . 46 LEU HD2 . 16559 1
686 . 1 1 50 50 LEU HD23 H 1 0.648 0.020 . 1 . . . . 46 LEU HD2 . 16559 1
687 . 1 1 50 50 LEU HG H 1 1.591 0.020 . 1 . . . . 46 LEU HG . 16559 1
688 . 1 1 50 50 LEU C C 13 176.555 0.3 . 1 . . . . 46 LEU C . 16559 1
689 . 1 1 50 50 LEU CA C 13 53.675 0.3 . 1 . . . . 46 LEU CA . 16559 1
690 . 1 1 50 50 LEU CB C 13 43.141 0.3 . 1 . . . . 46 LEU CB . 16559 1
691 . 1 1 50 50 LEU CD1 C 13 25.700 0.3 . 1 . . . . 46 LEU CD1 . 16559 1
692 . 1 1 50 50 LEU CD2 C 13 25.153 0.3 . 1 . . . . 46 LEU CD2 . 16559 1
693 . 1 1 50 50 LEU CG C 13 27.887 0.3 . 1 . . . . 46 LEU CG . 16559 1
694 . 1 1 50 50 LEU N N 15 122.046 0.3 . 1 . . . . 46 LEU N . 16559 1
695 . 1 1 51 51 VAL H H 1 7.681 0.020 . 1 . . . . 47 VAL H . 16559 1
696 . 1 1 51 51 VAL HA H 1 3.886 0.020 . 1 . . . . 47 VAL HA . 16559 1
697 . 1 1 51 51 VAL HB H 1 1.721 0.020 . 1 . . . . 47 VAL HB . 16559 1
698 . 1 1 51 51 VAL HG11 H 1 0.949 0.020 . 1 . . . . 47 VAL HG1 . 16559 1
699 . 1 1 51 51 VAL HG12 H 1 0.949 0.020 . 1 . . . . 47 VAL HG1 . 16559 1
700 . 1 1 51 51 VAL HG13 H 1 0.949 0.020 . 1 . . . . 47 VAL HG1 . 16559 1
701 . 1 1 51 51 VAL HG21 H 1 0.821 0.020 . 1 . . . . 47 VAL HG2 . 16559 1
702 . 1 1 51 51 VAL HG22 H 1 0.821 0.020 . 1 . . . . 47 VAL HG2 . 16559 1
703 . 1 1 51 51 VAL HG23 H 1 0.821 0.020 . 1 . . . . 47 VAL HG2 . 16559 1
704 . 1 1 51 51 VAL C C 13 177.328 0.3 . 1 . . . . 47 VAL C . 16559 1
705 . 1 1 51 51 VAL CA C 13 62.352 0.3 . 1 . . . . 47 VAL CA . 16559 1
706 . 1 1 51 51 VAL CB C 13 32.392 0.3 . 1 . . . . 47 VAL CB . 16559 1
707 . 1 1 51 51 VAL CG1 C 13 20.779 0.3 . 1 . . . . 47 VAL CG1 . 16559 1
708 . 1 1 51 51 VAL CG2 C 13 20.505 0.3 . 1 . . . . 47 VAL CG2 . 16559 1
709 . 1 1 51 51 VAL N N 15 123.874 0.3 . 1 . . . . 47 VAL N . 16559 1
710 . 1 1 52 52 LEU H H 1 8.844 0.020 . 1 . . . . 48 LEU H . 16559 1
711 . 1 1 52 52 LEU HA H 1 3.920 0.020 . 1 . . . . 48 LEU HA . 16559 1
712 . 1 1 52 52 LEU HB2 H 1 1.658 0.020 . 2 . . . . 48 LEU HB2 . 16559 1
713 . 1 1 52 52 LEU HB3 H 1 1.543 0.020 . 2 . . . . 48 LEU HB3 . 16559 1
714 . 1 1 52 52 LEU HD11 H 1 0.948 0.020 . 1 . . . . 48 LEU HD1 . 16559 1
715 . 1 1 52 52 LEU HD12 H 1 0.948 0.020 . 1 . . . . 48 LEU HD1 . 16559 1
716 . 1 1 52 52 LEU HD13 H 1 0.948 0.020 . 1 . . . . 48 LEU HD1 . 16559 1
717 . 1 1 52 52 LEU HD21 H 1 0.891 0.020 . 1 . . . . 48 LEU HD2 . 16559 1
718 . 1 1 52 52 LEU HD22 H 1 0.891 0.020 . 1 . . . . 48 LEU HD2 . 16559 1
719 . 1 1 52 52 LEU HD23 H 1 0.891 0.020 . 1 . . . . 48 LEU HD2 . 16559 1
720 . 1 1 52 52 LEU HG H 1 1.647 0.020 . 1 . . . . 48 LEU HG . 16559 1
721 . 1 1 52 52 LEU C C 13 177.139 0.3 . 1 . . . . 48 LEU C . 16559 1
722 . 1 1 52 52 LEU CA C 13 57.694 0.3 . 1 . . . . 48 LEU CA . 16559 1
723 . 1 1 52 52 LEU CB C 13 41.430 0.3 . 1 . . . . 48 LEU CB . 16559 1
724 . 1 1 52 52 LEU CD1 C 13 24.333 0.3 . 1 . . . . 48 LEU CD1 . 16559 1
725 . 1 1 52 52 LEU CD2 C 13 24.059 0.3 . 1 . . . . 48 LEU CD2 . 16559 1
726 . 1 1 52 52 LEU CG C 13 26.793 0.3 . 1 . . . . 48 LEU CG . 16559 1
727 . 1 1 52 52 LEU N N 15 102.419 0.3 . 1 . . . . 48 LEU N . 16559 1
728 . 1 1 53 53 ASP H H 1 8.808 0.020 . 1 . . . . 49 ASP H . 16559 1
729 . 1 1 53 53 ASP HA H 1 4.388 0.020 . 1 . . . . 49 ASP HA . 16559 1
730 . 1 1 53 53 ASP HB2 H 1 2.893 0.020 . 2 . . . . 49 ASP HB2 . 16559 1
731 . 1 1 53 53 ASP HB3 H 1 2.826 0.020 . 2 . . . . 49 ASP HB3 . 16559 1
732 . 1 1 53 53 ASP C C 13 175.278 0.3 . 1 . . . . 49 ASP C . 16559 1
733 . 1 1 53 53 ASP CA C 13 55.258 0.3 . 1 . . . . 49 ASP CA . 16559 1
734 . 1 1 53 53 ASP CB C 13 39.421 0.3 . 1 . . . . 49 ASP CB . 16559 1
735 . 1 1 53 53 ASP N N 15 118.492 0.3 . 1 . . . . 49 ASP N . 16559 1
736 . 1 1 54 54 GLY H H 1 7.699 0.020 . 1 . . . . 50 GLY H . 16559 1
737 . 1 1 54 54 GLY HA2 H 1 4.567 0.020 . 2 . . . . 50 GLY HA2 . 16559 1
738 . 1 1 54 54 GLY HA3 H 1 3.705 0.020 . 2 . . . . 50 GLY HA3 . 16559 1
739 . 1 1 54 54 GLY CA C 13 44.721 0.3 . 1 . . . . 50 GLY CA . 16559 1
740 . 1 1 54 54 GLY N N 15 106.532 0.3 . 1 . . . . 50 GLY N . 16559 1
741 . 1 1 55 55 PRO HA H 1 4.283 0.020 . 1 . . . . 51 PRO HA . 16559 1
742 . 1 1 55 55 PRO HB2 H 1 2.708 0.020 . 2 . . . . 51 PRO HB2 . 16559 1
743 . 1 1 55 55 PRO HB3 H 1 2.489 0.020 . 2 . . . . 51 PRO HB3 . 16559 1
744 . 1 1 55 55 PRO HD2 H 1 3.827 0.020 . 2 . . . . 51 PRO HD2 . 16559 1
745 . 1 1 55 55 PRO HD3 H 1 3.267 0.020 . 2 . . . . 51 PRO HD3 . 16559 1
746 . 1 1 55 55 PRO HG2 H 1 2.718 0.020 . 2 . . . . 51 PRO HG2 . 16559 1
747 . 1 1 55 55 PRO HG3 H 1 2.227 0.020 . 2 . . . . 51 PRO HG3 . 16559 1
748 . 1 1 55 55 PRO C C 13 180.024 0.3 . 1 . . . . 51 PRO C . 16559 1
749 . 1 1 55 55 PRO CA C 13 66.025 0.3 . 1 . . . . 51 PRO CA . 16559 1
750 . 1 1 55 55 PRO CB C 13 32.089 0.3 . 1 . . . . 51 PRO CB . 16559 1
751 . 1 1 55 55 PRO CD C 13 48.939 0.3 . 1 . . . . 51 PRO CD . 16559 1
752 . 1 1 55 55 PRO CG C 13 28.707 0.3 . 1 . . . . 51 PRO CG . 16559 1
753 . 1 1 56 56 ALA H H 1 8.156 0.020 . 1 . . . . 52 ALA H . 16559 1
754 . 1 1 56 56 ALA HA H 1 4.198 0.020 . 1 . . . . 52 ALA HA . 16559 1
755 . 1 1 56 56 ALA HB1 H 1 1.580 0.020 . 1 . . . . 52 ALA HB . 16559 1
756 . 1 1 56 56 ALA HB2 H 1 1.580 0.020 . 1 . . . . 52 ALA HB . 16559 1
757 . 1 1 56 56 ALA HB3 H 1 1.580 0.020 . 1 . . . . 52 ALA HB . 16559 1
758 . 1 1 56 56 ALA C C 13 180.355 0.3 . 1 . . . . 52 ALA C . 16559 1
759 . 1 1 56 56 ALA CA C 13 55.466 0.3 . 1 . . . . 52 ALA CA . 16559 1
760 . 1 1 56 56 ALA CB C 13 19.254 0.3 . 1 . . . . 52 ALA CB . 16559 1
761 . 1 1 56 56 ALA N N 15 120.332 0.3 . 1 . . . . 52 ALA N . 16559 1
762 . 1 1 57 57 ALA H H 1 9.812 0.020 . 1 . . . . 53 ALA H . 16559 1
763 . 1 1 57 57 ALA HA H 1 4.091 0.020 . 1 . . . . 53 ALA HA . 16559 1
764 . 1 1 57 57 ALA HB1 H 1 1.533 0.020 . 1 . . . . 53 ALA HB . 16559 1
765 . 1 1 57 57 ALA HB2 H 1 1.533 0.020 . 1 . . . . 53 ALA HB . 16559 1
766 . 1 1 57 57 ALA HB3 H 1 1.533 0.020 . 1 . . . . 53 ALA HB . 16559 1
767 . 1 1 57 57 ALA C C 13 180.450 0.3 . 1 . . . . 53 ALA C . 16559 1
768 . 1 1 57 57 ALA CA C 13 54.844 0.3 . 1 . . . . 53 ALA CA . 16559 1
769 . 1 1 57 57 ALA CB C 13 18.755 0.3 . 1 . . . . 53 ALA CB . 16559 1
770 . 1 1 57 57 ALA N N 15 125.976 0.3 . 1 . . . . 53 ALA N . 16559 1
771 . 1 1 58 58 LEU H H 1 8.324 0.020 . 1 . . . . 54 LEU H . 16559 1
772 . 1 1 58 58 LEU HA H 1 4.047 0.020 . 1 . . . . 54 LEU HA . 16559 1
773 . 1 1 58 58 LEU HB2 H 1 1.753 0.020 . 2 . . . . 54 LEU HB2 . 16559 1
774 . 1 1 58 58 LEU HB3 H 1 1.521 0.020 . 2 . . . . 54 LEU HB3 . 16559 1
775 . 1 1 58 58 LEU HD11 H 1 0.887 0.020 . 1 . . . . 54 LEU HD1 . 16559 1
776 . 1 1 58 58 LEU HD12 H 1 0.887 0.020 . 1 . . . . 54 LEU HD1 . 16559 1
777 . 1 1 58 58 LEU HD13 H 1 0.887 0.020 . 1 . . . . 54 LEU HD1 . 16559 1
778 . 1 1 58 58 LEU HD21 H 1 0.799 0.020 . 1 . . . . 54 LEU HD2 . 16559 1
779 . 1 1 58 58 LEU HD22 H 1 0.799 0.020 . 1 . . . . 54 LEU HD2 . 16559 1
780 . 1 1 58 58 LEU HD23 H 1 0.799 0.020 . 1 . . . . 54 LEU HD2 . 16559 1
781 . 1 1 58 58 LEU HG H 1 1.735 0.020 . 1 . . . . 54 LEU HG . 16559 1
782 . 1 1 58 58 LEU C C 13 179.330 0.3 . 1 . . . . 54 LEU C . 16559 1
783 . 1 1 58 58 LEU CA C 13 57.365 0.3 . 1 . . . . 54 LEU CA . 16559 1
784 . 1 1 58 58 LEU CB C 13 41.358 0.3 . 1 . . . . 54 LEU CB . 16559 1
785 . 1 1 58 58 LEU CD1 C 13 22.966 0.3 . 1 . . . . 54 LEU CD1 . 16559 1
786 . 1 1 58 58 LEU CD2 C 13 24.333 0.3 . 1 . . . . 54 LEU CD2 . 16559 1
787 . 1 1 58 58 LEU CG C 13 27.340 0.3 . 1 . . . . 54 LEU CG . 16559 1
788 . 1 1 58 58 LEU N N 15 119.259 0.3 . 1 . . . . 54 LEU N . 16559 1
789 . 1 1 59 59 ASP H H 1 7.806 0.020 . 1 . . . . 55 ASP H . 16559 1
790 . 1 1 59 59 ASP HA H 1 4.433 0.020 . 1 . . . . 55 ASP HA . 16559 1
791 . 1 1 59 59 ASP HB2 H 1 2.818 0.020 . 2 . . . . 55 ASP HB2 . 16559 1
792 . 1 1 59 59 ASP HB3 H 1 2.660 0.020 . 2 . . . . 55 ASP HB3 . 16559 1
793 . 1 1 59 59 ASP C C 13 177.864 0.3 . 1 . . . . 55 ASP C . 16559 1
794 . 1 1 59 59 ASP CA C 13 56.596 0.3 . 1 . . . . 55 ASP CA . 16559 1
795 . 1 1 59 59 ASP CB C 13 43.639 0.3 . 1 . . . . 55 ASP CB . 16559 1
796 . 1 1 59 59 ASP N N 15 118.971 0.3 . 1 . . . . 55 ASP N . 16559 1
797 . 1 1 60 60 GLY H H 1 7.422 0.020 . 1 . . . . 56 GLY H . 16559 1
798 . 1 1 60 60 GLY HA2 H 1 3.915 0.020 . 1 . . . . 56 GLY HA2 . 16559 1
799 . 1 1 60 60 GLY HA3 H 1 3.915 0.020 . 1 . . . . 56 GLY HA3 . 16559 1
800 . 1 1 60 60 GLY C C 13 174.742 0.3 . 1 . . . . 56 GLY C . 16559 1
801 . 1 1 60 60 GLY CA C 13 46.916 0.3 . 1 . . . . 56 GLY CA . 16559 1
802 . 1 1 60 60 GLY N N 15 103.224 0.3 . 1 . . . . 56 GLY N . 16559 1
803 . 1 1 61 61 LYS H H 1 7.949 0.020 . 1 . . . . 57 LYS H . 16559 1
804 . 1 1 61 61 LYS HA H 1 4.350 0.020 . 1 . . . . 57 LYS HA . 16559 1
805 . 1 1 61 61 LYS HB2 H 1 1.618 0.020 . 2 . . . . 57 LYS HB2 . 16559 1
806 . 1 1 61 61 LYS HB3 H 1 1.558 0.020 . 2 . . . . 57 LYS HB3 . 16559 1
807 . 1 1 61 61 LYS HD2 H 1 1.680 0.020 . 1 . . . . 57 LYS HD2 . 16559 1
808 . 1 1 61 61 LYS HD3 H 1 1.680 0.020 . 1 . . . . 57 LYS HD3 . 16559 1
809 . 1 1 61 61 LYS HE2 H 1 3.011 0.020 . 1 . . . . 57 LYS HE2 . 16559 1
810 . 1 1 61 61 LYS HE3 H 1 3.011 0.020 . 1 . . . . 57 LYS HE3 . 16559 1
811 . 1 1 61 61 LYS HG2 H 1 1.306 0.020 . 1 . . . . 57 LYS HG2 . 16559 1
812 . 1 1 61 61 LYS HG3 H 1 1.306 0.020 . 1 . . . . 57 LYS HG3 . 16559 1
813 . 1 1 61 61 LYS C C 13 176.823 0.3 . 1 . . . . 57 LYS C . 16559 1
814 . 1 1 61 61 LYS CA C 13 57.365 0.3 . 1 . . . . 57 LYS CA . 16559 1
815 . 1 1 61 61 LYS CB C 13 33.800 0.3 . 1 . . . . 57 LYS CB . 16559 1
816 . 1 1 61 61 LYS CD C 13 28.981 0.3 . 1 . . . . 57 LYS CD . 16559 1
817 . 1 1 61 61 LYS CE C 13 42.377 0.3 . 1 . . . . 57 LYS CE . 16559 1
818 . 1 1 61 61 LYS CG C 13 24.333 0.3 . 1 . . . . 57 LYS CG . 16559 1
819 . 1 1 61 61 LYS N N 15 118.771 0.3 . 1 . . . . 57 LYS N . 16559 1
820 . 1 1 62 62 MET H H 1 8.426 0.020 . 1 . . . . 58 MET H . 16559 1
821 . 1 1 62 62 MET HA H 1 4.000 0.020 . 1 . . . . 58 MET HA . 16559 1
822 . 1 1 62 62 MET HB2 H 1 1.734 0.020 . 2 . . . . 58 MET HB2 . 16559 1
823 . 1 1 62 62 MET HB3 H 1 1.600 0.020 . 2 . . . . 58 MET HB3 . 16559 1
824 . 1 1 62 62 MET HE1 H 1 0.970 0.020 . 1 . . . . 58 MET HE . 16559 1
825 . 1 1 62 62 MET HE2 H 1 0.970 0.020 . 1 . . . . 58 MET HE . 16559 1
826 . 1 1 62 62 MET HE3 H 1 0.970 0.020 . 1 . . . . 58 MET HE . 16559 1
827 . 1 1 62 62 MET HG2 H 1 2.147 0.020 . 2 . . . . 58 MET HG2 . 16559 1
828 . 1 1 62 62 MET HG3 H 1 2.089 0.020 . 2 . . . . 58 MET HG3 . 16559 1
829 . 1 1 62 62 MET C C 13 173.560 0.3 . 1 . . . . 58 MET C . 16559 1
830 . 1 1 62 62 MET CA C 13 55.685 0.3 . 1 . . . . 58 MET CA . 16559 1
831 . 1 1 62 62 MET CB C 13 35.868 0.3 . 1 . . . . 58 MET CB . 16559 1
832 . 1 1 62 62 MET CE C 13 15.857 0.3 . 1 . . . . 58 MET CE . 16559 1
833 . 1 1 62 62 MET CG C 13 30.621 0.3 . 1 . . . . 58 MET CG . 16559 1
834 . 1 1 62 62 MET N N 15 119.680 0.3 . 1 . . . . 58 MET N . 16559 1
835 . 1 1 63 63 GLU H H 1 8.518 0.020 . 1 . . . . 59 GLU H . 16559 1
836 . 1 1 63 63 GLU HA H 1 4.539 0.020 . 1 . . . . 59 GLU HA . 16559 1
837 . 1 1 63 63 GLU HB2 H 1 1.601 0.020 . 2 . . . . 59 GLU HB2 . 16559 1
838 . 1 1 63 63 GLU HB3 H 1 1.530 0.020 . 2 . . . . 59 GLU HB3 . 16559 1
839 . 1 1 63 63 GLU HG2 H 1 2.157 0.020 . 1 . . . . 59 GLU HG2 . 16559 1
840 . 1 1 63 63 GLU HG3 H 1 2.157 0.020 . 1 . . . . 59 GLU HG3 . 16559 1
841 . 1 1 63 63 GLU C C 13 175.294 0.3 . 1 . . . . 59 GLU C . 16559 1
842 . 1 1 63 63 GLU CA C 13 54.442 0.3 . 1 . . . . 59 GLU CA . 16559 1
843 . 1 1 63 63 GLU CB C 13 34.299 0.3 . 1 . . . . 59 GLU CB . 16559 1
844 . 1 1 63 63 GLU CG C 13 36.089 0.3 . 1 . . . . 59 GLU CG . 16559 1
845 . 1 1 63 63 GLU N N 15 121.201 0.3 . 1 . . . . 59 GLU N . 16559 1
846 . 1 1 64 64 THR H H 1 8.482 0.020 . 1 . . . . 60 THR H . 16559 1
847 . 1 1 64 64 THR HA H 1 3.574 0.020 . 1 . . . . 60 THR HA . 16559 1
848 . 1 1 64 64 THR HB H 1 3.931 0.020 . 1 . . . . 60 THR HB . 16559 1
849 . 1 1 64 64 THR HG21 H 1 1.309 0.020 . 1 . . . . 60 THR HG2 . 16559 1
850 . 1 1 64 64 THR HG22 H 1 1.309 0.020 . 1 . . . . 60 THR HG2 . 16559 1
851 . 1 1 64 64 THR HG23 H 1 1.309 0.020 . 1 . . . . 60 THR HG2 . 16559 1
852 . 1 1 64 64 THR C C 13 176.287 0.3 . 1 . . . . 60 THR C . 16559 1
853 . 1 1 64 64 THR CA C 13 64.929 0.3 . 1 . . . . 60 THR CA . 16559 1
854 . 1 1 64 64 THR CB C 13 69.381 0.3 . 1 . . . . 60 THR CB . 16559 1
855 . 1 1 64 64 THR CG2 C 13 21.872 0.3 . 1 . . . . 60 THR CG2 . 16559 1
856 . 1 1 64 64 THR N N 15 117.131 0.3 . 1 . . . . 60 THR N . 16559 1
857 . 1 1 65 65 GLY H H 1 10.118 0.020 . 1 . . . . 61 GLY H . 16559 1
858 . 1 1 65 65 GLY HA2 H 1 4.682 0.020 . 2 . . . . 61 GLY HA2 . 16559 1
859 . 1 1 65 65 GLY HA3 H 1 3.389 0.020 . 2 . . . . 61 GLY HA3 . 16559 1
860 . 1 1 65 65 GLY C C 13 174.963 0.3 . 1 . . . . 61 GLY C . 16559 1
861 . 1 1 65 65 GLY CA C 13 44.248 0.3 . 1 . . . . 61 GLY CA . 16559 1
862 . 1 1 65 65 GLY N N 15 117.385 0.3 . 1 . . . . 61 GLY N . 16559 1
863 . 1 1 66 66 ASP H H 1 8.119 0.020 . 1 . . . . 62 ASP H . 16559 1
864 . 1 1 66 66 ASP HA H 1 4.514 0.020 . 1 . . . . 62 ASP HA . 16559 1
865 . 1 1 66 66 ASP HB2 H 1 2.554 0.020 . 2 . . . . 62 ASP HB2 . 16559 1
866 . 1 1 66 66 ASP HB3 H 1 2.227 0.020 . 2 . . . . 62 ASP HB3 . 16559 1
867 . 1 1 66 66 ASP C C 13 175.278 0.3 . 1 . . . . 62 ASP C . 16559 1
868 . 1 1 66 66 ASP CA C 13 56.525 0.3 . 1 . . . . 62 ASP CA . 16559 1
869 . 1 1 66 66 ASP CB C 13 40.717 0.3 . 1 . . . . 62 ASP CB . 16559 1
870 . 1 1 66 66 ASP N N 15 126.109 0.3 . 1 . . . . 62 ASP N . 16559 1
871 . 1 1 67 67 VAL H H 1 8.705 0.020 . 1 . . . . 63 VAL H . 16559 1
872 . 1 1 67 67 VAL HA H 1 4.362 0.020 . 1 . . . . 63 VAL HA . 16559 1
873 . 1 1 67 67 VAL HB H 1 1.722 0.020 . 1 . . . . 63 VAL HB . 16559 1
874 . 1 1 67 67 VAL HG11 H 1 0.656 0.020 . 1 . . . . 63 VAL HG1 . 16559 1
875 . 1 1 67 67 VAL HG12 H 1 0.656 0.020 . 1 . . . . 63 VAL HG1 . 16559 1
876 . 1 1 67 67 VAL HG13 H 1 0.656 0.020 . 1 . . . . 63 VAL HG1 . 16559 1
877 . 1 1 67 67 VAL HG21 H 1 0.241 0.020 . 1 . . . . 63 VAL HG2 . 16559 1
878 . 1 1 67 67 VAL HG22 H 1 0.241 0.020 . 1 . . . . 63 VAL HG2 . 16559 1
879 . 1 1 67 67 VAL HG23 H 1 0.241 0.020 . 1 . . . . 63 VAL HG2 . 16559 1
880 . 1 1 67 67 VAL C C 13 176.823 0.3 . 1 . . . . 63 VAL C . 16559 1
881 . 1 1 67 67 VAL CA C 13 61.129 0.3 . 1 . . . . 63 VAL CA . 16559 1
882 . 1 1 67 67 VAL CB C 13 34.299 0.3 . 1 . . . . 63 VAL CB . 16559 1
883 . 1 1 67 67 VAL CG1 C 13 22.419 0.3 . 1 . . . . 63 VAL CG1 . 16559 1
884 . 1 1 67 67 VAL CG2 C 13 19.685 0.3 . 1 . . . . 63 VAL CG2 . 16559 1
885 . 1 1 67 67 VAL N N 15 122.920 0.3 . 1 . . . . 63 VAL N . 16559 1
886 . 1 1 68 68 ILE H H 1 8.526 0.020 . 1 . . . . 64 ILE H . 16559 1
887 . 1 1 68 68 ILE HA H 1 3.821 0.020 . 1 . . . . 64 ILE HA . 16559 1
888 . 1 1 68 68 ILE HB H 1 1.687 0.020 . 1 . . . . 64 ILE HB . 16559 1
889 . 1 1 68 68 ILE HD11 H 1 0.882 0.020 . 1 . . . . 64 ILE HD1 . 16559 1
890 . 1 1 68 68 ILE HD12 H 1 0.882 0.020 . 1 . . . . 64 ILE HD1 . 16559 1
891 . 1 1 68 68 ILE HD13 H 1 0.882 0.020 . 1 . . . . 64 ILE HD1 . 16559 1
892 . 1 1 68 68 ILE HG12 H 1 1.520 0.020 . 2 . . . . 64 ILE HG12 . 16559 1
893 . 1 1 68 68 ILE HG13 H 1 0.544 0.020 . 2 . . . . 64 ILE HG13 . 16559 1
894 . 1 1 68 68 ILE HG21 H 1 0.631 0.020 . 1 . . . . 64 ILE HG2 . 16559 1
895 . 1 1 68 68 ILE HG22 H 1 0.631 0.020 . 1 . . . . 64 ILE HG2 . 16559 1
896 . 1 1 68 68 ILE HG23 H 1 0.631 0.020 . 1 . . . . 64 ILE HG2 . 16559 1
897 . 1 1 68 68 ILE C C 13 172.614 0.3 . 1 . . . . 64 ILE C . 16559 1
898 . 1 1 68 68 ILE CA C 13 62.590 0.3 . 1 . . . . 64 ILE CA . 16559 1
899 . 1 1 68 68 ILE CB C 13 37.152 0.3 . 1 . . . . 64 ILE CB . 16559 1
900 . 1 1 68 68 ILE CD1 C 13 13.670 0.3 . 1 . . . . 64 ILE CD1 . 16559 1
901 . 1 1 68 68 ILE CG1 C 13 27.614 0.3 . 1 . . . . 64 ILE CG1 . 16559 1
902 . 1 1 68 68 ILE CG2 C 13 18.045 0.3 . 1 . . . . 64 ILE CG2 . 16559 1
903 . 1 1 68 68 ILE N N 15 126.896 0.3 . 1 . . . . 64 ILE N . 16559 1
904 . 1 1 69 69 VAL H H 1 8.763 0.020 . 1 . . . . 65 VAL H . 16559 1
905 . 1 1 69 69 VAL HA H 1 3.888 0.020 . 1 . . . . 65 VAL HA . 16559 1
906 . 1 1 69 69 VAL HB H 1 1.756 0.020 . 1 . . . . 65 VAL HB . 16559 1
907 . 1 1 69 69 VAL HG11 H 1 0.961 0.020 . 1 . . . . 65 VAL HG1 . 16559 1
908 . 1 1 69 69 VAL HG12 H 1 0.961 0.020 . 1 . . . . 65 VAL HG1 . 16559 1
909 . 1 1 69 69 VAL HG13 H 1 0.961 0.020 . 1 . . . . 65 VAL HG1 . 16559 1
910 . 1 1 69 69 VAL HG21 H 1 0.718 0.020 . 1 . . . . 65 VAL HG2 . 16559 1
911 . 1 1 69 69 VAL HG22 H 1 0.718 0.020 . 1 . . . . 65 VAL HG2 . 16559 1
912 . 1 1 69 69 VAL HG23 H 1 0.718 0.020 . 1 . . . . 65 VAL HG2 . 16559 1
913 . 1 1 69 69 VAL C C 13 176.524 0.3 . 1 . . . . 65 VAL C . 16559 1
914 . 1 1 69 69 VAL CA C 13 64.219 0.3 . 1 . . . . 65 VAL CA . 16559 1
915 . 1 1 69 69 VAL CB C 13 32.783 0.3 . 1 . . . . 65 VAL CB . 16559 1
916 . 1 1 69 69 VAL CG1 C 13 21.872 0.3 . 1 . . . . 65 VAL CG1 . 16559 1
917 . 1 1 69 69 VAL CG2 C 13 23.513 0.3 . 1 . . . . 65 VAL CG2 . 16559 1
918 . 1 1 69 69 VAL N N 15 128.813 0.3 . 1 . . . . 65 VAL N . 16559 1
919 . 1 1 70 70 SER H H 1 7.848 0.020 . 1 . . . . 66 SER H . 16559 1
920 . 1 1 70 70 SER HA H 1 5.286 0.020 . 1 . . . . 66 SER HA . 16559 1
921 . 1 1 70 70 SER HB2 H 1 3.560 0.020 . 2 . . . . 66 SER HB2 . 16559 1
922 . 1 1 70 70 SER HB3 H 1 3.488 0.020 . 2 . . . . 66 SER HB3 . 16559 1
923 . 1 1 70 70 SER C C 13 172.330 0.3 . 1 . . . . 66 SER C . 16559 1
924 . 1 1 70 70 SER CA C 13 56.781 0.3 . 1 . . . . 66 SER CA . 16559 1
925 . 1 1 70 70 SER CB C 13 65.958 0.3 . 1 . . . . 66 SER CB . 16559 1
926 . 1 1 70 70 SER N N 15 110.793 0.3 . 1 . . . . 66 SER N . 16559 1
927 . 1 1 71 71 VAL H H 1 8.286 0.020 . 1 . . . . 67 VAL H . 16559 1
928 . 1 1 71 71 VAL HA H 1 4.405 0.020 . 1 . . . . 67 VAL HA . 16559 1
929 . 1 1 71 71 VAL HB H 1 1.626 0.020 . 1 . . . . 67 VAL HB . 16559 1
930 . 1 1 71 71 VAL HG11 H 1 0.558 0.020 . 1 . . . . 67 VAL HG1 . 16559 1
931 . 1 1 71 71 VAL HG12 H 1 0.558 0.020 . 1 . . . . 67 VAL HG1 . 16559 1
932 . 1 1 71 71 VAL HG13 H 1 0.558 0.020 . 1 . . . . 67 VAL HG1 . 16559 1
933 . 1 1 71 71 VAL HG21 H 1 0.462 0.020 . 1 . . . . 67 VAL HG2 . 16559 1
934 . 1 1 71 71 VAL HG22 H 1 0.462 0.020 . 1 . . . . 67 VAL HG2 . 16559 1
935 . 1 1 71 71 VAL HG23 H 1 0.462 0.020 . 1 . . . . 67 VAL HG2 . 16559 1
936 . 1 1 71 71 VAL C C 13 176.051 0.3 . 1 . . . . 67 VAL C . 16559 1
937 . 1 1 71 71 VAL CA C 13 60.910 0.3 . 1 . . . . 67 VAL CA . 16559 1
938 . 1 1 71 71 VAL CB C 13 33.658 0.3 . 1 . . . . 67 VAL CB . 16559 1
939 . 1 1 71 71 VAL CG1 C 13 21.558 0.3 . 1 . . . . 67 VAL CG1 . 16559 1
940 . 1 1 71 71 VAL CG2 C 13 21.052 0.3 . 1 . . . . 67 VAL CG2 . 16559 1
941 . 1 1 71 71 VAL N N 15 121.713 0.3 . 1 . . . . 67 VAL N . 16559 1
942 . 1 1 72 72 ASN H H 1 9.942 0.020 . 1 . . . . 68 ASN H . 16559 1
943 . 1 1 72 72 ASN HA H 1 4.550 0.020 . 1 . . . . 68 ASN HA . 16559 1
944 . 1 1 72 72 ASN HB2 H 1 3.156 0.020 . 2 . . . . 68 ASN HB2 . 16559 1
945 . 1 1 72 72 ASN HB3 H 1 2.906 0.020 . 2 . . . . 68 ASN HB3 . 16559 1
946 . 1 1 72 72 ASN HD21 H 1 7.993 0.020 . 1 . . . . 68 ASN HD21 . 16559 1
947 . 1 1 72 72 ASN HD22 H 1 6.929 0.020 . 1 . . . . 68 ASN HD22 . 16559 1
948 . 1 1 72 72 ASN C C 13 171.920 0.3 . 1 . . . . 68 ASN C . 16559 1
949 . 1 1 72 72 ASN CA C 13 54.383 0.3 . 1 . . . . 68 ASN CA . 16559 1
950 . 1 1 72 72 ASN CB C 13 36.297 0.3 . 1 . . . . 68 ASN CB . 16559 1
951 . 1 1 72 72 ASN CG C 13 177.233 0.3 . 1 . . . . 68 ASN CG . 16559 1
952 . 1 1 72 72 ASN N N 15 128.143 0.3 . 1 . . . . 68 ASN N . 16559 1
953 . 1 1 72 72 ASN ND2 N 15 112.419 0.3 . 1 . . . . 68 ASN ND2 . 16559 1
954 . 1 1 73 73 ASP H H 1 8.854 0.020 . 1 . . . . 69 ASP H . 16559 1
955 . 1 1 73 73 ASP HA H 1 4.275 0.020 . 1 . . . . 69 ASP HA . 16559 1
956 . 1 1 73 73 ASP HB2 H 1 2.889 0.020 . 2 . . . . 69 ASP HB2 . 16559 1
957 . 1 1 73 73 ASP HB3 H 1 2.824 0.020 . 2 . . . . 69 ASP HB3 . 16559 1
958 . 1 1 73 73 ASP C C 13 175.278 0.3 . 1 . . . . 69 ASP C . 16559 1
959 . 1 1 73 73 ASP CA C 13 55.831 0.3 . 1 . . . . 69 ASP CA . 16559 1
960 . 1 1 73 73 ASP CB C 13 40.075 0.3 . 1 . . . . 69 ASP CB . 16559 1
961 . 1 1 73 73 ASP N N 15 114.110 0.3 . 1 . . . . 69 ASP N . 16559 1
962 . 1 1 74 74 THR H H 1 7.935 0.020 . 1 . . . . 70 THR H . 16559 1
963 . 1 1 74 74 THR HA H 1 4.333 0.020 . 1 . . . . 70 THR HA . 16559 1
964 . 1 1 74 74 THR HB H 1 4.061 0.020 . 1 . . . . 70 THR HB . 16559 1
965 . 1 1 74 74 THR HG21 H 1 1.081 0.020 . 1 . . . . 70 THR HG2 . 16559 1
966 . 1 1 74 74 THR HG22 H 1 1.081 0.020 . 1 . . . . 70 THR HG2 . 16559 1
967 . 1 1 74 74 THR HG23 H 1 1.081 0.020 . 1 . . . . 70 THR HG2 . 16559 1
968 . 1 1 74 74 THR C C 13 172.913 0.3 . 1 . . . . 70 THR C . 16559 1
969 . 1 1 74 74 THR CA C 13 62.152 0.3 . 1 . . . . 70 THR CA . 16559 1
970 . 1 1 74 74 THR CB C 13 70.165 0.3 . 1 . . . . 70 THR CB . 16559 1
971 . 1 1 74 74 THR CG2 C 13 21.052 0.3 . 1 . . . . 70 THR CG2 . 16559 1
972 . 1 1 74 74 THR N N 15 118.338 0.3 . 1 . . . . 70 THR N . 16559 1
973 . 1 1 75 75 CYS H H 1 9.082 0.020 . 1 . . . . 71 CYS H . 16559 1
974 . 1 1 75 75 CYS HA H 1 4.545 0.020 . 1 . . . . 71 CYS HA . 16559 1
975 . 1 1 75 75 CYS HB2 H 1 3.228 0.020 . 2 . . . . 71 CYS HB2 . 16559 1
976 . 1 1 75 75 CYS HB3 H 1 2.811 0.020 . 2 . . . . 71 CYS HB3 . 16559 1
977 . 1 1 75 75 CYS C C 13 175.735 0.3 . 1 . . . . 71 CYS C . 16559 1
978 . 1 1 75 75 CYS CA C 13 59.558 0.3 . 1 . . . . 71 CYS CA . 16559 1
979 . 1 1 75 75 CYS CB C 13 27.098 0.3 . 1 . . . . 71 CYS CB . 16559 1
980 . 1 1 75 75 CYS N N 15 129.446 0.3 . 1 . . . . 71 CYS N . 16559 1
981 . 1 1 76 76 VAL H H 1 8.700 0.020 . 1 . . . . 72 VAL H . 16559 1
982 . 1 1 76 76 VAL HA H 1 3.950 0.020 . 1 . . . . 72 VAL HA . 16559 1
983 . 1 1 76 76 VAL HB H 1 2.071 0.020 . 1 . . . . 72 VAL HB . 16559 1
984 . 1 1 76 76 VAL HG11 H 1 0.417 0.020 . 1 . . . . 72 VAL HG1 . 16559 1
985 . 1 1 76 76 VAL HG12 H 1 0.417 0.020 . 1 . . . . 72 VAL HG1 . 16559 1
986 . 1 1 76 76 VAL HG13 H 1 0.417 0.020 . 1 . . . . 72 VAL HG1 . 16559 1
987 . 1 1 76 76 VAL HG21 H 1 0.280 0.020 . 1 . . . . 72 VAL HG2 . 16559 1
988 . 1 1 76 76 VAL HG22 H 1 0.280 0.020 . 1 . . . . 72 VAL HG2 . 16559 1
989 . 1 1 76 76 VAL HG23 H 1 0.280 0.020 . 1 . . . . 72 VAL HG2 . 16559 1
990 . 1 1 76 76 VAL C C 13 176.934 0.3 . 1 . . . . 72 VAL C . 16559 1
991 . 1 1 76 76 VAL CA C 13 59.850 0.3 . 1 . . . . 72 VAL CA . 16559 1
992 . 1 1 76 76 VAL CB C 13 30.520 0.3 . 1 . . . . 72 VAL CB . 16559 1
993 . 1 1 76 76 VAL CG1 C 13 19.138 0.3 . 1 . . . . 72 VAL CG1 . 16559 1
994 . 1 1 76 76 VAL CG2 C 13 20.232 0.3 . 1 . . . . 72 VAL CG2 . 16559 1
995 . 1 1 76 76 VAL N N 15 121.291 0.3 . 1 . . . . 72 VAL N . 16559 1
996 . 1 1 77 77 LEU H H 1 7.818 0.020 . 1 . . . . 73 LEU H . 16559 1
997 . 1 1 77 77 LEU HA H 1 4.626 0.020 . 1 . . . . 73 LEU HA . 16559 1
998 . 1 1 77 77 LEU HB2 H 1 1.990 0.020 . 2 . . . . 73 LEU HB2 . 16559 1
999 . 1 1 77 77 LEU HB3 H 1 1.866 0.020 . 2 . . . . 73 LEU HB3 . 16559 1
1000 . 1 1 77 77 LEU HD11 H 1 1.070 0.020 . 1 . . . . 73 LEU HD1 . 16559 1
1001 . 1 1 77 77 LEU HD12 H 1 1.070 0.020 . 1 . . . . 73 LEU HD1 . 16559 1
1002 . 1 1 77 77 LEU HD13 H 1 1.070 0.020 . 1 . . . . 73 LEU HD1 . 16559 1
1003 . 1 1 77 77 LEU HD21 H 1 0.702 0.020 . 1 . . . . 73 LEU HD2 . 16559 1
1004 . 1 1 77 77 LEU HD22 H 1 0.702 0.020 . 1 . . . . 73 LEU HD2 . 16559 1
1005 . 1 1 77 77 LEU HD23 H 1 0.702 0.020 . 1 . . . . 73 LEU HD2 . 16559 1
1006 . 1 1 77 77 LEU HG H 1 1.940 0.020 . 1 . . . . 73 LEU HG . 16559 1
1007 . 1 1 77 77 LEU C C 13 178.101 0.3 . 1 . . . . 73 LEU C . 16559 1
1008 . 1 1 77 77 LEU CA C 13 56.525 0.3 . 1 . . . . 73 LEU CA . 16559 1
1009 . 1 1 77 77 LEU CB C 13 40.431 0.3 . 1 . . . . 73 LEU CB . 16559 1
1010 . 1 1 77 77 LEU CD1 C 13 22.966 0.3 . 1 . . . . 73 LEU CD1 . 16559 1
1011 . 1 1 77 77 LEU CD2 C 13 25.426 0.3 . 1 . . . . 73 LEU CD2 . 16559 1
1012 . 1 1 77 77 LEU CG C 13 26.427 0.3 . 1 . . . . 73 LEU CG . 16559 1
1013 . 1 1 77 77 LEU N N 15 124.479 0.3 . 1 . . . . 73 LEU N . 16559 1
1014 . 1 1 78 78 GLY H H 1 9.724 0.020 . 1 . . . . 74 GLY H . 16559 1
1015 . 1 1 78 78 GLY HA2 H 1 4.633 0.020 . 2 . . . . 74 GLY HA2 . 16559 1
1016 . 1 1 78 78 GLY HA3 H 1 3.917 0.020 . 2 . . . . 74 GLY HA3 . 16559 1
1017 . 1 1 78 78 GLY C C 13 174.837 0.3 . 1 . . . . 74 GLY C . 16559 1
1018 . 1 1 78 78 GLY CA C 13 45.783 0.3 . 1 . . . . 74 GLY CA . 16559 1
1019 . 1 1 78 78 GLY N N 15 116.369 0.3 . 1 . . . . 74 GLY N . 16559 1
1020 . 1 1 79 79 HIS H H 1 8.289 0.020 . 1 . . . . 75 HIS H . 16559 1
1021 . 1 1 79 79 HIS HA H 1 4.745 0.020 . 1 . . . . 75 HIS HA . 16559 1
1022 . 1 1 79 79 HIS HB2 H 1 3.418 0.020 . 2 . . . . 75 HIS HB2 . 16559 1
1023 . 1 1 79 79 HIS HB3 H 1 3.148 0.020 . 2 . . . . 75 HIS HB3 . 16559 1
1024 . 1 1 79 79 HIS HD2 H 1 6.462 0.020 . 1 . . . . 75 HIS HD2 . 16559 1
1025 . 1 1 79 79 HIS HE1 H 1 7.655 0.020 . 1 . . . . 75 HIS HE1 . 16559 1
1026 . 1 1 79 79 HIS C C 13 176.382 0.3 . 1 . . . . 75 HIS C . 16559 1
1027 . 1 1 79 79 HIS CA C 13 56.534 0.3 . 1 . . . . 75 HIS CA . 16559 1
1028 . 1 1 79 79 HIS CB C 13 31.533 0.3 . 1 . . . . 75 HIS CB . 16559 1
1029 . 1 1 79 79 HIS CD2 C 13 117.713 0.3 . 1 . . . . 75 HIS CD2 . 16559 1
1030 . 1 1 79 79 HIS CE1 C 13 139.077 0.3 . 1 . . . . 75 HIS CE1 . 16559 1
1031 . 1 1 79 79 HIS N N 15 123.611 0.3 . 1 . . . . 75 HIS N . 16559 1
1032 . 1 1 80 80 THR H H 1 8.642 0.020 . 1 . . . . 76 THR H . 16559 1
1033 . 1 1 80 80 THR HA H 1 4.660 0.020 . 1 . . . . 76 THR HA . 16559 1
1034 . 1 1 80 80 THR HB H 1 4.850 0.020 . 1 . . . . 76 THR HB . 16559 1
1035 . 1 1 80 80 THR HG21 H 1 1.237 0.020 . 1 . . . . 76 THR HG2 . 16559 1
1036 . 1 1 80 80 THR HG22 H 1 1.237 0.020 . 1 . . . . 76 THR HG2 . 16559 1
1037 . 1 1 80 80 THR HG23 H 1 1.237 0.020 . 1 . . . . 76 THR HG2 . 16559 1
1038 . 1 1 80 80 THR C C 13 175.341 0.3 . 1 . . . . 76 THR C . 16559 1
1039 . 1 1 80 80 THR CA C 13 60.435 0.3 . 1 . . . . 76 THR CA . 16559 1
1040 . 1 1 80 80 THR CB C 13 71.092 0.3 . 1 . . . . 76 THR CB . 16559 1
1041 . 1 1 80 80 THR CG2 C 13 21.872 0.3 . 1 . . . . 76 THR CG2 . 16559 1
1042 . 1 1 80 80 THR N N 15 110.295 0.3 . 1 . . . . 76 THR N . 16559 1
1043 . 1 1 81 81 HIS H H 1 8.502 0.020 . 1 . . . . 77 HIS H . 16559 1
1044 . 1 1 81 81 HIS HA H 1 3.852 0.020 . 1 . . . . 77 HIS HA . 16559 1
1045 . 1 1 81 81 HIS HB2 H 1 3.353 0.020 . 2 . . . . 77 HIS HB2 . 16559 1
1046 . 1 1 81 81 HIS HB3 H 1 3.210 0.020 . 2 . . . . 77 HIS HB3 . 16559 1
1047 . 1 1 81 81 HIS HE1 H 1 7.931 0.020 . 1 . . . . 77 HIS HE1 . 16559 1
1048 . 1 1 81 81 HIS C C 13 176.886 0.3 . 1 . . . . 77 HIS C . 16559 1
1049 . 1 1 81 81 HIS CA C 13 60.325 0.3 . 1 . . . . 77 HIS CA . 16559 1
1050 . 1 1 81 81 HIS CB C 13 28.381 0.3 . 1 . . . . 77 HIS CB . 16559 1
1051 . 1 1 81 81 HIS CE1 C 13 137.584 0.3 . 1 . . . . 77 HIS CE1 . 16559 1
1052 . 1 1 81 81 HIS N N 15 120.796 0.3 . 1 . . . . 77 HIS N . 16559 1
1053 . 1 1 82 82 ALA H H 1 8.693 0.020 . 1 . . . . 78 ALA H . 16559 1
1054 . 1 1 82 82 ALA HA H 1 4.127 0.020 . 1 . . . . 78 ALA HA . 16559 1
1055 . 1 1 82 82 ALA HB1 H 1 1.457 0.020 . 1 . . . . 78 ALA HB . 16559 1
1056 . 1 1 82 82 ALA HB2 H 1 1.457 0.020 . 1 . . . . 78 ALA HB . 16559 1
1057 . 1 1 82 82 ALA HB3 H 1 1.457 0.020 . 1 . . . . 78 ALA HB . 16559 1
1058 . 1 1 82 82 ALA C C 13 180.970 0.3 . 1 . . . . 78 ALA C . 16559 1
1059 . 1 1 82 82 ALA CA C 13 54.991 0.3 . 1 . . . . 78 ALA CA . 16559 1
1060 . 1 1 82 82 ALA CB C 13 18.613 0.3 . 1 . . . . 78 ALA CB . 16559 1
1061 . 1 1 82 82 ALA N N 15 117.840 0.3 . 1 . . . . 78 ALA N . 16559 1
1062 . 1 1 83 83 GLN H H 1 7.834 0.020 . 1 . . . . 79 GLN H . 16559 1
1063 . 1 1 83 83 GLN HA H 1 3.971 0.020 . 1 . . . . 79 GLN HA . 16559 1
1064 . 1 1 83 83 GLN HB2 H 1 2.461 0.020 . 2 . . . . 79 GLN HB2 . 16559 1
1065 . 1 1 83 83 GLN HB3 H 1 1.973 0.020 . 2 . . . . 79 GLN HB3 . 16559 1
1066 . 1 1 83 83 GLN HE21 H 1 7.332 0.020 . 1 . . . . 79 GLN HE21 . 16559 1
1067 . 1 1 83 83 GLN HE22 H 1 6.511 0.020 . 1 . . . . 79 GLN HE22 . 16559 1
1068 . 1 1 83 83 GLN HG2 H 1 2.463 0.020 . 2 . . . . 79 GLN HG2 . 16559 1
1069 . 1 1 83 83 GLN HG3 H 1 2.338 0.020 . 2 . . . . 79 GLN HG3 . 16559 1
1070 . 1 1 83 83 GLN C C 13 179.598 0.3 . 1 . . . . 79 GLN C . 16559 1
1071 . 1 1 83 83 GLN CA C 13 58.754 0.3 . 1 . . . . 79 GLN CA . 16559 1
1072 . 1 1 83 83 GLN CB C 13 29.379 0.3 . 1 . . . . 79 GLN CB . 16559 1
1073 . 1 1 83 83 GLN CD C 13 179.812 0.3 . 1 . . . . 79 GLN CD . 16559 1
1074 . 1 1 83 83 GLN CG C 13 34.722 0.3 . 1 . . . . 79 GLN CG . 16559 1
1075 . 1 1 83 83 GLN N N 15 117.111 0.3 . 1 . . . . 79 GLN N . 16559 1
1076 . 1 1 83 83 GLN NE2 N 15 110.862 0.3 . 1 . . . . 79 GLN NE2 . 16559 1
1077 . 1 1 84 84 VAL H H 1 8.235 0.020 . 1 . . . . 80 VAL H . 16559 1
1078 . 1 1 84 84 VAL HA H 1 3.880 0.020 . 1 . . . . 80 VAL HA . 16559 1
1079 . 1 1 84 84 VAL HB H 1 1.988 0.020 . 1 . . . . 80 VAL HB . 16559 1
1080 . 1 1 84 84 VAL HG11 H 1 1.004 0.020 . 1 . . . . 80 VAL HG1 . 16559 1
1081 . 1 1 84 84 VAL HG12 H 1 1.004 0.020 . 1 . . . . 80 VAL HG1 . 16559 1
1082 . 1 1 84 84 VAL HG13 H 1 1.004 0.020 . 1 . . . . 80 VAL HG1 . 16559 1
1083 . 1 1 84 84 VAL HG21 H 1 1.004 0.020 . 1 . . . . 80 VAL HG2 . 16559 1
1084 . 1 1 84 84 VAL HG22 H 1 1.004 0.020 . 1 . . . . 80 VAL HG2 . 16559 1
1085 . 1 1 84 84 VAL HG23 H 1 1.004 0.020 . 1 . . . . 80 VAL HG2 . 16559 1
1086 . 1 1 84 84 VAL C C 13 177.170 0.3 . 1 . . . . 80 VAL C . 16559 1
1087 . 1 1 84 84 VAL CA C 13 65.623 0.3 . 1 . . . . 80 VAL CA . 16559 1
1088 . 1 1 84 84 VAL CB C 13 31.376 0.3 . 1 . . . . 80 VAL CB . 16559 1
1089 . 1 1 84 84 VAL CG1 C 13 24.333 0.3 . 1 . . . . 80 VAL CG1 . 16559 1
1090 . 1 1 84 84 VAL CG2 C 13 21.872 0.3 . 1 . . . . 80 VAL CG2 . 16559 1
1091 . 1 1 84 84 VAL N N 15 120.198 0.3 . 1 . . . . 80 VAL N . 16559 1
1092 . 1 1 85 85 VAL H H 1 8.428 0.020 . 1 . . . . 81 VAL H . 16559 1
1093 . 1 1 85 85 VAL HA H 1 3.669 0.020 . 1 . . . . 81 VAL HA . 16559 1
1094 . 1 1 85 85 VAL HB H 1 2.144 0.020 . 1 . . . . 81 VAL HB . 16559 1
1095 . 1 1 85 85 VAL HG11 H 1 0.926 0.020 . 1 . . . . 81 VAL HG1 . 16559 1
1096 . 1 1 85 85 VAL HG12 H 1 0.926 0.020 . 1 . . . . 81 VAL HG1 . 16559 1
1097 . 1 1 85 85 VAL HG13 H 1 0.926 0.020 . 1 . . . . 81 VAL HG1 . 16559 1
1098 . 1 1 85 85 VAL HG21 H 1 0.926 0.020 . 1 . . . . 81 VAL HG2 . 16559 1
1099 . 1 1 85 85 VAL HG22 H 1 0.926 0.020 . 1 . . . . 81 VAL HG2 . 16559 1
1100 . 1 1 85 85 VAL HG23 H 1 0.926 0.020 . 1 . . . . 81 VAL HG2 . 16559 1
1101 . 1 1 85 85 VAL C C 13 177.296 0.3 . 1 . . . . 81 VAL C . 16559 1
1102 . 1 1 85 85 VAL CA C 13 67.888 0.3 . 1 . . . . 81 VAL CA . 16559 1
1103 . 1 1 85 85 VAL CB C 13 31.455 0.3 . 1 . . . . 81 VAL CB . 16559 1
1104 . 1 1 85 85 VAL CG1 C 13 24.059 0.3 . 1 . . . . 81 VAL CG1 . 16559 1
1105 . 1 1 85 85 VAL CG2 C 13 22.419 0.3 . 1 . . . . 81 VAL CG2 . 16559 1
1106 . 1 1 85 85 VAL N N 15 121.713 0.3 . 1 . . . . 81 VAL N . 16559 1
1107 . 1 1 86 86 LYS H H 1 7.618 0.020 . 1 . . . . 82 LYS H . 16559 1
1108 . 1 1 86 86 LYS HA H 1 4.170 0.020 . 1 . . . . 82 LYS HA . 16559 1
1109 . 1 1 86 86 LYS HB2 H 1 1.948 0.020 . 1 . . . . 82 LYS HB2 . 16559 1
1110 . 1 1 86 86 LYS HB3 H 1 1.948 0.020 . 1 . . . . 82 LYS HB3 . 16559 1
1111 . 1 1 86 86 LYS HD2 H 1 1.713 0.020 . 1 . . . . 82 LYS HD2 . 16559 1
1112 . 1 1 86 86 LYS HD3 H 1 1.713 0.020 . 1 . . . . 82 LYS HD3 . 16559 1
1113 . 1 1 86 86 LYS HE2 H 1 2.977 0.020 . 1 . . . . 82 LYS HE2 . 16559 1
1114 . 1 1 86 86 LYS HE3 H 1 2.977 0.020 . 1 . . . . 82 LYS HE3 . 16559 1
1115 . 1 1 86 86 LYS HG2 H 1 1.503 0.020 . 1 . . . . 82 LYS HG2 . 16559 1
1116 . 1 1 86 86 LYS HG3 H 1 1.503 0.020 . 1 . . . . 82 LYS HG3 . 16559 1
1117 . 1 1 86 86 LYS C C 13 179.252 0.3 . 1 . . . . 82 LYS C . 16559 1
1118 . 1 1 86 86 LYS CA C 13 58.937 0.3 . 1 . . . . 82 LYS CA . 16559 1
1119 . 1 1 86 86 LYS CB C 13 31.924 0.3 . 1 . . . . 82 LYS CB . 16559 1
1120 . 1 1 86 86 LYS CD C 13 28.707 0.3 . 1 . . . . 82 LYS CD . 16559 1
1121 . 1 1 86 86 LYS CE C 13 41.831 0.3 . 1 . . . . 82 LYS CE . 16559 1
1122 . 1 1 86 86 LYS CG C 13 25.153 0.3 . 1 . . . . 82 LYS CG . 16559 1
1123 . 1 1 86 86 LYS N N 15 118.416 0.3 . 1 . . . . 82 LYS N . 16559 1
1124 . 1 1 87 87 ILE H H 1 7.294 0.020 . 1 . . . . 83 ILE H . 16559 1
1125 . 1 1 87 87 ILE HA H 1 3.630 0.020 . 1 . . . . 83 ILE HA . 16559 1
1126 . 1 1 87 87 ILE HB H 1 1.778 0.020 . 1 . . . . 83 ILE HB . 16559 1
1127 . 1 1 87 87 ILE HD11 H 1 0.809 0.020 . 1 . . . . 83 ILE HD1 . 16559 1
1128 . 1 1 87 87 ILE HD12 H 1 0.809 0.020 . 1 . . . . 83 ILE HD1 . 16559 1
1129 . 1 1 87 87 ILE HD13 H 1 0.809 0.020 . 1 . . . . 83 ILE HD1 . 16559 1
1130 . 1 1 87 87 ILE HG12 H 1 1.935 0.020 . 2 . . . . 83 ILE HG12 . 16559 1
1131 . 1 1 87 87 ILE HG13 H 1 1.001 0.020 . 2 . . . . 83 ILE HG13 . 16559 1
1132 . 1 1 87 87 ILE HG21 H 1 0.558 0.020 . 1 . . . . 83 ILE HG2 . 16559 1
1133 . 1 1 87 87 ILE HG22 H 1 0.558 0.020 . 1 . . . . 83 ILE HG2 . 16559 1
1134 . 1 1 87 87 ILE HG23 H 1 0.558 0.020 . 1 . . . . 83 ILE HG2 . 16559 1
1135 . 1 1 87 87 ILE C C 13 179.031 0.3 . 1 . . . . 83 ILE C . 16559 1
1136 . 1 1 87 87 ILE CA C 13 65.550 0.3 . 1 . . . . 83 ILE CA . 16559 1
1137 . 1 1 87 87 ILE CB C 13 37.625 0.3 . 1 . . . . 83 ILE CB . 16559 1
1138 . 1 1 87 87 ILE CD1 C 13 13.944 0.3 . 1 . . . . 83 ILE CD1 . 16559 1
1139 . 1 1 87 87 ILE CG1 C 13 28.160 0.3 . 1 . . . . 83 ILE CG1 . 16559 1
1140 . 1 1 87 87 ILE CG2 C 13 16.404 0.3 . 1 . . . . 83 ILE CG2 . 16559 1
1141 . 1 1 87 87 ILE N N 15 119.870 0.3 . 1 . . . . 83 ILE N . 16559 1
1142 . 1 1 88 88 PHE H H 1 7.535 0.020 . 1 . . . . 84 PHE H . 16559 1
1143 . 1 1 88 88 PHE HA H 1 4.500 0.020 . 1 . . . . 84 PHE HA . 16559 1
1144 . 1 1 88 88 PHE HB2 H 1 3.670 0.020 . 2 . . . . 84 PHE HB2 . 16559 1
1145 . 1 1 88 88 PHE HB3 H 1 3.128 0.020 . 2 . . . . 84 PHE HB3 . 16559 1
1146 . 1 1 88 88 PHE HD1 H 1 7.131 0.020 . 1 . . . . 84 PHE HD1 . 16559 1
1147 . 1 1 88 88 PHE HD2 H 1 7.131 0.020 . 1 . . . . 84 PHE HD2 . 16559 1
1148 . 1 1 88 88 PHE HE1 H 1 6.953 0.020 . 1 . . . . 84 PHE HE1 . 16559 1
1149 . 1 1 88 88 PHE HE2 H 1 6.953 0.020 . 1 . . . . 84 PHE HE2 . 16559 1
1150 . 1 1 88 88 PHE HZ H 1 6.878 0.020 . 1 . . . . 84 PHE HZ . 16559 1
1151 . 1 1 88 88 PHE C C 13 179.031 0.3 . 1 . . . . 84 PHE C . 16559 1
1152 . 1 1 88 88 PHE CA C 13 61.969 0.3 . 1 . . . . 84 PHE CA . 16559 1
1153 . 1 1 88 88 PHE CB C 13 38.364 0.3 . 1 . . . . 84 PHE CB . 16559 1
1154 . 1 1 88 88 PHE CD1 C 13 131.509 0.3 . 1 . . . . 84 PHE CD1 . 16559 1
1155 . 1 1 88 88 PHE CD2 C 13 131.509 0.3 . 1 . . . . 84 PHE CD2 . 16559 1
1156 . 1 1 88 88 PHE CE1 C 13 130.647 0.3 . 1 . . . . 84 PHE CE1 . 16559 1
1157 . 1 1 88 88 PHE CE2 C 13 130.647 0.3 . 1 . . . . 84 PHE CE2 . 16559 1
1158 . 1 1 88 88 PHE N N 15 117.008 0.3 . 1 . . . . 84 PHE N . 16559 1
1159 . 1 1 89 89 GLN H H 1 9.252 0.020 . 1 . . . . 85 GLN H . 16559 1
1160 . 1 1 89 89 GLN HA H 1 3.829 0.020 . 1 . . . . 85 GLN HA . 16559 1
1161 . 1 1 89 89 GLN HB2 H 1 2.082 0.020 . 1 . . . . 85 GLN HB2 . 16559 1
1162 . 1 1 89 89 GLN HB3 H 1 2.082 0.020 . 1 . . . . 85 GLN HB3 . 16559 1
1163 . 1 1 89 89 GLN HE21 H 1 7.335 0.020 . 1 . . . . 85 GLN HE21 . 16559 1
1164 . 1 1 89 89 GLN HE22 H 1 6.796 0.020 . 1 . . . . 85 GLN HE22 . 16559 1
1165 . 1 1 89 89 GLN HG2 H 1 2.267 0.020 . 2 . . . . 85 GLN HG2 . 16559 1
1166 . 1 1 89 89 GLN HG3 H 1 1.976 0.020 . 2 . . . . 85 GLN HG3 . 16559 1
1167 . 1 1 89 89 GLN C C 13 176.224 0.3 . 1 . . . . 85 GLN C . 16559 1
1168 . 1 1 89 89 GLN CA C 13 58.961 0.3 . 1 . . . . 85 GLN CA . 16559 1
1169 . 1 1 89 89 GLN CB C 13 29.112 0.3 . 1 . . . . 85 GLN CB . 16559 1
1170 . 1 1 89 89 GLN CD C 13 179.510 0.3 . 1 . . . . 85 GLN CD . 16559 1
1171 . 1 1 89 89 GLN CG C 13 33.629 0.3 . 1 . . . . 85 GLN CG . 16559 1
1172 . 1 1 89 89 GLN N N 15 120.395 0.3 . 1 . . . . 85 GLN N . 16559 1
1173 . 1 1 89 89 GLN NE2 N 15 110.886 0.3 . 1 . . . . 85 GLN NE2 . 16559 1
1174 . 1 1 90 90 SER H H 1 7.609 0.020 . 1 . . . . 86 SER H . 16559 1
1175 . 1 1 90 90 SER HA H 1 4.294 0.020 . 1 . . . . 86 SER HA . 16559 1
1176 . 1 1 90 90 SER HB2 H 1 4.034 0.020 . 1 . . . . 86 SER HB2 . 16559 1
1177 . 1 1 90 90 SER HB3 H 1 4.034 0.020 . 1 . . . . 86 SER HB3 . 16559 1
1178 . 1 1 90 90 SER C C 13 174.553 0.3 . 1 . . . . 86 SER C . 16559 1
1179 . 1 1 90 90 SER CA C 13 59.850 0.3 . 1 . . . . 86 SER CA . 16559 1
1180 . 1 1 90 90 SER CB C 13 63.748 0.3 . 1 . . . . 86 SER CB . 16559 1
1181 . 1 1 90 90 SER N N 15 110.743 0.3 . 1 . . . . 86 SER N . 16559 1
1182 . 1 1 91 91 ILE H H 1 7.452 0.020 . 1 . . . . 87 ILE H . 16559 1
1183 . 1 1 91 91 ILE HA H 1 4.338 0.020 . 1 . . . . 87 ILE HA . 16559 1
1184 . 1 1 91 91 ILE HB H 1 2.123 0.020 . 1 . . . . 87 ILE HB . 16559 1
1185 . 1 1 91 91 ILE HD11 H 1 1.005 0.020 . 1 . . . . 87 ILE HD1 . 16559 1
1186 . 1 1 91 91 ILE HD12 H 1 1.005 0.020 . 1 . . . . 87 ILE HD1 . 16559 1
1187 . 1 1 91 91 ILE HD13 H 1 1.005 0.020 . 1 . . . . 87 ILE HD1 . 16559 1
1188 . 1 1 91 91 ILE HG12 H 1 2.147 0.020 . 2 . . . . 87 ILE HG12 . 16559 1
1189 . 1 1 91 91 ILE HG13 H 1 1.524 0.020 . 2 . . . . 87 ILE HG13 . 16559 1
1190 . 1 1 91 91 ILE HG21 H 1 1.229 0.020 . 1 . . . . 87 ILE HG2 . 16559 1
1191 . 1 1 91 91 ILE HG22 H 1 1.229 0.020 . 1 . . . . 87 ILE HG2 . 16559 1
1192 . 1 1 91 91 ILE HG23 H 1 1.229 0.020 . 1 . . . . 87 ILE HG2 . 16559 1
1193 . 1 1 91 91 ILE CA C 13 59.338 0.3 . 1 . . . . 87 ILE CA . 16559 1
1194 . 1 1 91 91 ILE CB C 13 38.527 0.3 . 1 . . . . 87 ILE CB . 16559 1
1195 . 1 1 91 91 ILE CD1 C 13 13.123 0.3 . 1 . . . . 87 ILE CD1 . 16559 1
1196 . 1 1 91 91 ILE CG1 C 13 27.887 0.3 . 1 . . . . 87 ILE CG1 . 16559 1
1197 . 1 1 91 91 ILE CG2 C 13 17.224 0.3 . 1 . . . . 87 ILE CG2 . 16559 1
1198 . 1 1 91 91 ILE N N 15 126.780 0.3 . 1 . . . . 87 ILE N . 16559 1
1199 . 1 1 92 92 PRO HA H 1 4.488 0.020 . 1 . . . . 88 PRO HA . 16559 1
1200 . 1 1 92 92 PRO HB2 H 1 2.340 0.020 . 2 . . . . 88 PRO HB2 . 16559 1
1201 . 1 1 92 92 PRO HB3 H 1 1.828 0.020 . 2 . . . . 88 PRO HB3 . 16559 1
1202 . 1 1 92 92 PRO HD2 H 1 4.108 0.020 . 2 . . . . 88 PRO HD2 . 16559 1
1203 . 1 1 92 92 PRO HD3 H 1 3.657 0.020 . 2 . . . . 88 PRO HD3 . 16559 1
1204 . 1 1 92 92 PRO HG2 H 1 2.030 0.020 . 1 . . . . 88 PRO HG2 . 16559 1
1205 . 1 1 92 92 PRO HG3 H 1 2.030 0.020 . 1 . . . . 88 PRO HG3 . 16559 1
1206 . 1 1 92 92 PRO C C 13 176.776 0.3 . 1 . . . . 88 PRO C . 16559 1
1207 . 1 1 92 92 PRO CA C 13 62.737 0.3 . 1 . . . . 88 PRO CA . 16559 1
1208 . 1 1 92 92 PRO CB C 13 32.303 0.3 . 1 . . . . 88 PRO CB . 16559 1
1209 . 1 1 92 92 PRO CD C 13 50.853 0.3 . 1 . . . . 88 PRO CD . 16559 1
1210 . 1 1 92 92 PRO CG C 13 27.340 0.3 . 1 . . . . 88 PRO CG . 16559 1
1211 . 1 1 93 93 ILE H H 1 8.341 0.020 . 1 . . . . 89 ILE H . 16559 1
1212 . 1 1 93 93 ILE HA H 1 3.075 0.020 . 1 . . . . 89 ILE HA . 16559 1
1213 . 1 1 93 93 ILE HB H 1 1.627 0.020 . 1 . . . . 89 ILE HB . 16559 1
1214 . 1 1 93 93 ILE HD11 H 1 0.841 0.020 . 1 . . . . 89 ILE HD1 . 16559 1
1215 . 1 1 93 93 ILE HD12 H 1 0.841 0.020 . 1 . . . . 89 ILE HD1 . 16559 1
1216 . 1 1 93 93 ILE HD13 H 1 0.841 0.020 . 1 . . . . 89 ILE HD1 . 16559 1
1217 . 1 1 93 93 ILE HG12 H 1 1.546 0.020 . 2 . . . . 89 ILE HG12 . 16559 1
1218 . 1 1 93 93 ILE HG13 H 1 1.041 0.020 . 2 . . . . 89 ILE HG13 . 16559 1
1219 . 1 1 93 93 ILE HG21 H 1 0.725 0.020 . 1 . . . . 89 ILE HG2 . 16559 1
1220 . 1 1 93 93 ILE HG22 H 1 0.725 0.020 . 1 . . . . 89 ILE HG2 . 16559 1
1221 . 1 1 93 93 ILE HG23 H 1 0.725 0.020 . 1 . . . . 89 ILE HG2 . 16559 1
1222 . 1 1 93 93 ILE C C 13 177.880 0.3 . 1 . . . . 89 ILE C . 16559 1
1223 . 1 1 93 93 ILE CA C 13 64.490 0.3 . 1 . . . . 89 ILE CA . 16559 1
1224 . 1 1 93 93 ILE CB C 13 36.795 0.3 . 1 . . . . 89 ILE CB . 16559 1
1225 . 1 1 93 93 ILE CD1 C 13 12.850 0.3 . 1 . . . . 89 ILE CD1 . 16559 1
1226 . 1 1 93 93 ILE CG1 C 13 28.434 0.3 . 1 . . . . 89 ILE CG1 . 16559 1
1227 . 1 1 93 93 ILE CG2 C 13 17.224 0.3 . 1 . . . . 89 ILE CG2 . 16559 1
1228 . 1 1 93 93 ILE N N 15 121.080 0.3 . 1 . . . . 89 ILE N . 16559 1
1229 . 1 1 94 94 GLY H H 1 8.605 0.020 . 1 . . . . 90 GLY H . 16559 1
1230 . 1 1 94 94 GLY HA2 H 1 4.431 0.020 . 2 . . . . 90 GLY HA2 . 16559 1
1231 . 1 1 94 94 GLY HA3 H 1 3.548 0.020 . 2 . . . . 90 GLY HA3 . 16559 1
1232 . 1 1 94 94 GLY C C 13 173.686 0.3 . 1 . . . . 90 GLY C . 16559 1
1233 . 1 1 94 94 GLY CA C 13 44.870 0.3 . 1 . . . . 90 GLY CA . 16559 1
1234 . 1 1 94 94 GLY N N 15 117.035 0.3 . 1 . . . . 90 GLY N . 16559 1
1235 . 1 1 95 95 ALA H H 1 7.990 0.020 . 1 . . . . 91 ALA H . 16559 1
1236 . 1 1 95 95 ALA HA H 1 4.707 0.020 . 1 . . . . 91 ALA HA . 16559 1
1237 . 1 1 95 95 ALA HB1 H 1 1.624 0.020 . 1 . . . . 91 ALA HB . 16559 1
1238 . 1 1 95 95 ALA HB2 H 1 1.624 0.020 . 1 . . . . 91 ALA HB . 16559 1
1239 . 1 1 95 95 ALA HB3 H 1 1.624 0.020 . 1 . . . . 91 ALA HB . 16559 1
1240 . 1 1 95 95 ALA C C 13 175.956 0.3 . 1 . . . . 91 ALA C . 16559 1
1241 . 1 1 95 95 ALA CA C 13 51.165 0.3 . 1 . . . . 91 ALA CA . 16559 1
1242 . 1 1 95 95 ALA CB C 13 20.253 0.3 . 1 . . . . 91 ALA CB . 16559 1
1243 . 1 1 95 95 ALA N N 15 125.208 0.3 . 1 . . . . 91 ALA N . 16559 1
1244 . 1 1 96 96 SER H H 1 8.386 0.020 . 1 . . . . 92 SER H . 16559 1
1245 . 1 1 96 96 SER HA H 1 5.904 0.020 . 1 . . . . 92 SER HA . 16559 1
1246 . 1 1 96 96 SER HB2 H 1 3.686 0.020 . 2 . . . . 92 SER HB2 . 16559 1
1247 . 1 1 96 96 SER HB3 H 1 3.574 0.020 . 2 . . . . 92 SER HB3 . 16559 1
1248 . 1 1 96 96 SER C C 13 173.496 0.3 . 1 . . . . 92 SER C . 16559 1
1249 . 1 1 96 96 SER CA C 13 57.475 0.3 . 1 . . . . 92 SER CA . 16559 1
1250 . 1 1 96 96 SER CB C 13 66.315 0.3 . 1 . . . . 92 SER CB . 16559 1
1251 . 1 1 96 96 SER N N 15 113.080 0.3 . 1 . . . . 92 SER N . 16559 1
1252 . 1 1 97 97 VAL H H 1 9.110 0.020 . 1 . . . . 93 VAL H . 16559 1
1253 . 1 1 97 97 VAL HA H 1 4.919 0.020 . 1 . . . . 93 VAL HA . 16559 1
1254 . 1 1 97 97 VAL HB H 1 1.888 0.020 . 1 . . . . 93 VAL HB . 16559 1
1255 . 1 1 97 97 VAL HG11 H 1 0.844 0.020 . 1 . . . . 93 VAL HG1 . 16559 1
1256 . 1 1 97 97 VAL HG12 H 1 0.844 0.020 . 1 . . . . 93 VAL HG1 . 16559 1
1257 . 1 1 97 97 VAL HG13 H 1 0.844 0.020 . 1 . . . . 93 VAL HG1 . 16559 1
1258 . 1 1 97 97 VAL HG21 H 1 0.522 0.020 . 1 . . . . 93 VAL HG2 . 16559 1
1259 . 1 1 97 97 VAL HG22 H 1 0.522 0.020 . 1 . . . . 93 VAL HG2 . 16559 1
1260 . 1 1 97 97 VAL HG23 H 1 0.522 0.020 . 1 . . . . 93 VAL HG2 . 16559 1
1261 . 1 1 97 97 VAL C C 13 172.204 0.3 . 1 . . . . 93 VAL C . 16559 1
1262 . 1 1 97 97 VAL CA C 13 58.900 0.3 . 1 . . . . 93 VAL CA . 16559 1
1263 . 1 1 97 97 VAL CB C 13 35.868 0.3 . 1 . . . . 93 VAL CB . 16559 1
1264 . 1 1 97 97 VAL CG1 C 13 22.692 0.3 . 1 . . . . 93 VAL CG1 . 16559 1
1265 . 1 1 97 97 VAL CG2 C 13 21.052 0.3 . 1 . . . . 93 VAL CG2 . 16559 1
1266 . 1 1 97 97 VAL N N 15 120.256 0.3 . 1 . . . . 93 VAL N . 16559 1
1267 . 1 1 98 98 ASP H H 1 8.370 0.020 . 1 . . . . 94 ASP H . 16559 1
1268 . 1 1 98 98 ASP HA H 1 5.204 0.020 . 1 . . . . 94 ASP HA . 16559 1
1269 . 1 1 98 98 ASP HB2 H 1 2.673 0.020 . 2 . . . . 94 ASP HB2 . 16559 1
1270 . 1 1 98 98 ASP HB3 H 1 2.626 0.020 . 2 . . . . 94 ASP HB3 . 16559 1
1271 . 1 1 98 98 ASP C C 13 175.846 0.3 . 1 . . . . 94 ASP C . 16559 1
1272 . 1 1 98 98 ASP CA C 13 53.566 0.3 . 1 . . . . 94 ASP CA . 16559 1
1273 . 1 1 98 98 ASP CB C 13 43.284 0.3 . 1 . . . . 94 ASP CB . 16559 1
1274 . 1 1 98 98 ASP N N 15 126.186 0.3 . 1 . . . . 94 ASP N . 16559 1
1275 . 1 1 99 99 LEU H H 1 9.121 0.020 . 1 . . . . 95 LEU H . 16559 1
1276 . 1 1 99 99 LEU HA H 1 5.079 0.020 . 1 . . . . 95 LEU HA . 16559 1
1277 . 1 1 99 99 LEU HB2 H 1 1.498 0.020 . 2 . . . . 95 LEU HB2 . 16559 1
1278 . 1 1 99 99 LEU HB3 H 1 1.111 0.020 . 2 . . . . 95 LEU HB3 . 16559 1
1279 . 1 1 99 99 LEU HD11 H 1 0.943 0.020 . 1 . . . . 95 LEU HD1 . 16559 1
1280 . 1 1 99 99 LEU HD12 H 1 0.943 0.020 . 1 . . . . 95 LEU HD1 . 16559 1
1281 . 1 1 99 99 LEU HD13 H 1 0.943 0.020 . 1 . . . . 95 LEU HD1 . 16559 1
1282 . 1 1 99 99 LEU HD21 H 1 0.544 0.020 . 1 . . . . 95 LEU HD2 . 16559 1
1283 . 1 1 99 99 LEU HD22 H 1 0.544 0.020 . 1 . . . . 95 LEU HD2 . 16559 1
1284 . 1 1 99 99 LEU HD23 H 1 0.544 0.020 . 1 . . . . 95 LEU HD2 . 16559 1
1285 . 1 1 99 99 LEU HG H 1 1.526 0.020 . 1 . . . . 95 LEU HG . 16559 1
1286 . 1 1 99 99 LEU C C 13 174.648 0.3 . 1 . . . . 95 LEU C . 16559 1
1287 . 1 1 99 99 LEU CA C 13 53.602 0.3 . 1 . . . . 95 LEU CA . 16559 1
1288 . 1 1 99 99 LEU CB C 13 45.922 0.3 . 1 . . . . 95 LEU CB . 16559 1
1289 . 1 1 99 99 LEU CD1 C 13 25.426 0.3 . 1 . . . . 95 LEU CD1 . 16559 1
1290 . 1 1 99 99 LEU CD2 C 13 25.700 0.3 . 1 . . . . 95 LEU CD2 . 16559 1
1291 . 1 1 99 99 LEU CG C 13 26.520 0.3 . 1 . . . . 95 LEU CG . 16559 1
1292 . 1 1 99 99 LEU N N 15 124.883 0.3 . 1 . . . . 95 LEU N . 16559 1
1293 . 1 1 100 100 GLU H H 1 8.068 0.020 . 1 . . . . 96 GLU H . 16559 1
1294 . 1 1 100 100 GLU HA H 1 4.979 0.020 . 1 . . . . 96 GLU HA . 16559 1
1295 . 1 1 100 100 GLU HB2 H 1 2.123 0.020 . 2 . . . . 96 GLU HB2 . 16559 1
1296 . 1 1 100 100 GLU HB3 H 1 1.836 0.020 . 2 . . . . 96 GLU HB3 . 16559 1
1297 . 1 1 100 100 GLU HG2 H 1 1.878 0.020 . 1 . . . . 96 GLU HG2 . 16559 1
1298 . 1 1 100 100 GLU HG3 H 1 1.878 0.020 . 1 . . . . 96 GLU HG3 . 16559 1
1299 . 1 1 100 100 GLU C C 13 174.648 0.3 . 1 . . . . 96 GLU C . 16559 1
1300 . 1 1 100 100 GLU CA C 13 55.064 0.3 . 1 . . . . 96 GLU CA . 16559 1
1301 . 1 1 100 100 GLU CB C 13 32.160 0.3 . 1 . . . . 96 GLU CB . 16559 1
1302 . 1 1 100 100 GLU CG C 13 36.089 0.3 . 1 . . . . 96 GLU CG . 16559 1
1303 . 1 1 100 100 GLU N N 15 122.881 0.3 . 1 . . . . 96 GLU N . 16559 1
1304 . 1 1 101 101 LEU H H 1 9.396 0.020 . 1 . . . . 97 LEU H . 16559 1
1305 . 1 1 101 101 LEU HA H 1 5.598 0.020 . 1 . . . . 97 LEU HA . 16559 1
1306 . 1 1 101 101 LEU HB2 H 1 1.578 0.020 . 2 . . . . 97 LEU HB2 . 16559 1
1307 . 1 1 101 101 LEU HB3 H 1 1.336 0.020 . 2 . . . . 97 LEU HB3 . 16559 1
1308 . 1 1 101 101 LEU HD11 H 1 0.653 0.020 . 1 . . . . 97 LEU HD1 . 16559 1
1309 . 1 1 101 101 LEU HD12 H 1 0.653 0.020 . 1 . . . . 97 LEU HD1 . 16559 1
1310 . 1 1 101 101 LEU HD13 H 1 0.653 0.020 . 1 . . . . 97 LEU HD1 . 16559 1
1311 . 1 1 101 101 LEU HD21 H 1 0.653 0.020 . 1 . . . . 97 LEU HD2 . 16559 1
1312 . 1 1 101 101 LEU HD22 H 1 0.653 0.020 . 1 . . . . 97 LEU HD2 . 16559 1
1313 . 1 1 101 101 LEU HD23 H 1 0.653 0.020 . 1 . . . . 97 LEU HD2 . 16559 1
1314 . 1 1 101 101 LEU HG H 1 1.428 0.020 . 1 . . . . 97 LEU HG . 16559 1
1315 . 1 1 101 101 LEU C C 13 175.594 0.3 . 1 . . . . 97 LEU C . 16559 1
1316 . 1 1 101 101 LEU CA C 13 52.360 0.3 . 1 . . . . 97 LEU CA . 16559 1
1317 . 1 1 101 101 LEU CB C 13 44.710 0.3 . 1 . . . . 97 LEU CB . 16559 1
1318 . 1 1 101 101 LEU CD1 C 13 24.880 0.3 . 1 . . . . 97 LEU CD1 . 16559 1
1319 . 1 1 101 101 LEU CD2 C 13 24.880 0.3 . 1 . . . . 97 LEU CD2 . 16559 1
1320 . 1 1 101 101 LEU CG C 13 27.340 0.3 . 1 . . . . 97 LEU CG . 16559 1
1321 . 1 1 101 101 LEU N N 15 127.050 0.3 . 1 . . . . 97 LEU N . 16559 1
1322 . 1 1 102 102 CYS H H 1 9.048 0.020 . 1 . . . . 98 CYS H . 16559 1
1323 . 1 1 102 102 CYS HA H 1 4.917 0.020 . 1 . . . . 98 CYS HA . 16559 1
1324 . 1 1 102 102 CYS HB2 H 1 2.033 0.020 . 1 . . . . 98 CYS HB2 . 16559 1
1325 . 1 1 102 102 CYS HB3 H 1 2.033 0.020 . 1 . . . . 98 CYS HB3 . 16559 1
1326 . 1 1 102 102 CYS C C 13 173.433 0.3 . 1 . . . . 98 CYS C . 16559 1
1327 . 1 1 102 102 CYS CA C 13 57.000 0.3 . 1 . . . . 98 CYS CA . 16559 1
1328 . 1 1 102 102 CYS CB C 13 28.800 0.3 . 1 . . . . 98 CYS CB . 16559 1
1329 . 1 1 102 102 CYS N N 15 119.412 0.3 . 1 . . . . 98 CYS N . 16559 1
1330 . 1 1 103 103 ARG H H 1 9.853 0.020 . 1 . . . . 99 ARG H . 16559 1
1331 . 1 1 103 103 ARG HA H 1 4.512 0.020 . 1 . . . . 99 ARG HA . 16559 1
1332 . 1 1 103 103 ARG HB2 H 1 1.647 0.020 . 1 . . . . 99 ARG HB2 . 16559 1
1333 . 1 1 103 103 ARG HB3 H 1 1.647 0.020 . 1 . . . . 99 ARG HB3 . 16559 1
1334 . 1 1 103 103 ARG HD2 H 1 3.265 0.020 . 2 . . . . 99 ARG HD2 . 16559 1
1335 . 1 1 103 103 ARG HD3 H 1 2.724 0.020 . 2 . . . . 99 ARG HD3 . 16559 1
1336 . 1 1 103 103 ARG HE H 1 9.035 0.020 . 1 . . . . 99 ARG HE . 16559 1
1337 . 1 1 103 103 ARG HG2 H 1 1.531 0.020 . 1 . . . . 99 ARG HG2 . 16559 1
1338 . 1 1 103 103 ARG HG3 H 1 1.531 0.020 . 1 . . . . 99 ARG HG3 . 16559 1
1339 . 1 1 103 103 ARG HH11 H 1 9.778 0.020 . 1 . . . . 99 ARG HH11 . 16559 1
1340 . 1 1 103 103 ARG HH12 H 1 8.509 0.020 . 1 . . . . 99 ARG HH12 . 16559 1
1341 . 1 1 103 103 ARG HH21 H 1 6.609 0.020 . 1 . . . . 99 ARG HH21 . 16559 1
1342 . 1 1 103 103 ARG HH22 H 1 6.609 0.020 . 1 . . . . 99 ARG HH22 . 16559 1
1343 . 1 1 103 103 ARG C C 13 174.789 0.3 . 1 . . . . 99 ARG C . 16559 1
1344 . 1 1 103 103 ARG CA C 13 56.671 0.3 . 1 . . . . 99 ARG CA . 16559 1
1345 . 1 1 103 103 ARG CB C 13 33.087 0.3 . 1 . . . . 99 ARG CB . 16559 1
1346 . 1 1 103 103 ARG CD C 13 42.924 0.3 . 1 . . . . 99 ARG CD . 16559 1
1347 . 1 1 103 103 ARG CG C 13 25.153 0.3 . 1 . . . . 99 ARG CG . 16559 1
1348 . 1 1 103 103 ARG CZ C 13 159.777 0.3 . 1 . . . . 99 ARG CZ . 16559 1
1349 . 1 1 103 103 ARG N N 15 107.897 0.3 . 1 . . . . 99 ARG N . 16559 1
1350 . 1 1 103 103 ARG NE N 15 115.292 0.3 . 1 . . . . 99 ARG NE . 16559 1
1351 . 1 1 103 103 ARG NH2 N 15 71.923 0.3 . 1 . . . . 99 ARG NH2 . 16559 1
1352 . 1 1 104 104 GLY H H 1 8.754 0.020 . 1 . . . . 100 GLY H . 16559 1
1353 . 1 1 104 104 GLY HA2 H 1 4.336 0.020 . 2 . . . . 100 GLY HA2 . 16559 1
1354 . 1 1 104 104 GLY HA3 H 1 3.509 0.020 . 2 . . . . 100 GLY HA3 . 16559 1
1355 . 1 1 104 104 GLY C C 13 172.976 0.3 . 1 . . . . 100 GLY C . 16559 1
1356 . 1 1 104 104 GLY CA C 13 45.491 0.3 . 1 . . . . 100 GLY CA . 16559 1
1357 . 1 1 104 104 GLY N N 15 116.479 0.3 . 1 . . . . 100 GLY N . 16559 1
1358 . 1 1 105 105 TYR H H 1 9.639 0.020 . 1 . . . . 101 TYR H . 16559 1
1359 . 1 1 105 105 TYR HA H 1 4.768 0.020 . 1 . . . . 101 TYR HA . 16559 1
1360 . 1 1 105 105 TYR HB2 H 1 3.177 0.020 . 2 . . . . 101 TYR HB2 . 16559 1
1361 . 1 1 105 105 TYR HB3 H 1 2.904 0.020 . 2 . . . . 101 TYR HB3 . 16559 1
1362 . 1 1 105 105 TYR HD1 H 1 7.060 0.020 . 1 . . . . 101 TYR HD1 . 16559 1
1363 . 1 1 105 105 TYR HD2 H 1 7.060 0.020 . 1 . . . . 101 TYR HD2 . 16559 1
1364 . 1 1 105 105 TYR HE1 H 1 6.702 0.020 . 1 . . . . 101 TYR HE1 . 16559 1
1365 . 1 1 105 105 TYR HE2 H 1 6.702 0.020 . 1 . . . . 101 TYR HE2 . 16559 1
1366 . 1 1 105 105 TYR CA C 13 56.530 0.3 . 1 . . . . 101 TYR CA . 16559 1
1367 . 1 1 105 105 TYR CB C 13 37.123 0.3 . 1 . . . . 101 TYR CB . 16559 1
1368 . 1 1 105 105 TYR CD1 C 13 132.897 0.3 . 1 . . . . 101 TYR CD1 . 16559 1
1369 . 1 1 105 105 TYR CD2 C 13 132.897 0.3 . 1 . . . . 101 TYR CD2 . 16559 1
1370 . 1 1 105 105 TYR CE1 C 13 118.249 0.3 . 1 . . . . 101 TYR CE1 . 16559 1
1371 . 1 1 105 105 TYR CE2 C 13 118.249 0.3 . 1 . . . . 101 TYR CE2 . 16559 1
1372 . 1 1 105 105 TYR N N 15 124.711 0.3 . 1 . . . . 101 TYR N . 16559 1
1373 . 1 1 106 106 PRO HA H 1 4.649 0.020 . 1 . . . . 102 PRO HA . 16559 1
1374 . 1 1 106 106 PRO HB2 H 1 2.275 0.020 . 2 . . . . 102 PRO HB2 . 16559 1
1375 . 1 1 106 106 PRO HB3 H 1 2.100 0.020 . 2 . . . . 102 PRO HB3 . 16559 1
1376 . 1 1 106 106 PRO HD2 H 1 3.854 0.020 . 1 . . . . 102 PRO HD2 . 16559 1
1377 . 1 1 106 106 PRO HD3 H 1 3.854 0.020 . 1 . . . . 102 PRO HD3 . 16559 1
1378 . 1 1 106 106 PRO HG2 H 1 2.081 0.020 . 1 . . . . 102 PRO HG2 . 16559 1
1379 . 1 1 106 106 PRO HG3 H 1 2.081 0.020 . 1 . . . . 102 PRO HG3 . 16559 1
1380 . 1 1 106 106 PRO C C 13 178.400 0.3 . 1 . . . . 102 PRO C . 16559 1
1381 . 1 1 106 106 PRO CA C 13 61.713 0.3 . 1 . . . . 102 PRO CA . 16559 1
1382 . 1 1 106 106 PRO CB C 13 32.018 0.3 . 1 . . . . 102 PRO CB . 16559 1
1383 . 1 1 106 106 PRO CD C 13 50.853 0.3 . 1 . . . . 102 PRO CD . 16559 1
1384 . 1 1 106 106 PRO CG C 13 26.520 0.3 . 1 . . . . 102 PRO CG . 16559 1
1385 . 1 1 107 107 LEU H H 1 8.734 0.020 . 1 . . . . 103 LEU H . 16559 1
1386 . 1 1 107 107 LEU HA H 1 4.456 0.020 . 1 . . . . 103 LEU HA . 16559 1
1387 . 1 1 107 107 LEU HB2 H 1 1.661 0.020 . 2 . . . . 103 LEU HB2 . 16559 1
1388 . 1 1 107 107 LEU HB3 H 1 1.114 0.020 . 2 . . . . 103 LEU HB3 . 16559 1
1389 . 1 1 107 107 LEU HD11 H 1 0.820 0.020 . 1 . . . . 103 LEU HD1 . 16559 1
1390 . 1 1 107 107 LEU HD12 H 1 0.820 0.020 . 1 . . . . 103 LEU HD1 . 16559 1
1391 . 1 1 107 107 LEU HD13 H 1 0.820 0.020 . 1 . . . . 103 LEU HD1 . 16559 1
1392 . 1 1 107 107 LEU HD21 H 1 0.770 0.020 . 1 . . . . 103 LEU HD2 . 16559 1
1393 . 1 1 107 107 LEU HD22 H 1 0.770 0.020 . 1 . . . . 103 LEU HD2 . 16559 1
1394 . 1 1 107 107 LEU HD23 H 1 0.770 0.020 . 1 . . . . 103 LEU HD2 . 16559 1
1395 . 1 1 107 107 LEU HG H 1 1.584 0.020 . 1 . . . . 103 LEU HG . 16559 1
1396 . 1 1 107 107 LEU CA C 13 53.639 0.3 . 1 . . . . 103 LEU CA . 16559 1
1397 . 1 1 107 107 LEU CB C 13 41.335 0.3 . 1 . . . . 103 LEU CB . 16559 1
1398 . 1 1 107 107 LEU CD1 C 13 23.786 0.3 . 1 . . . . 103 LEU CD1 . 16559 1
1399 . 1 1 107 107 LEU CD2 C 13 24.606 0.3 . 1 . . . . 103 LEU CD2 . 16559 1
1400 . 1 1 107 107 LEU CG C 13 26.793 0.3 . 1 . . . . 103 LEU CG . 16559 1
1401 . 1 1 107 107 LEU N N 15 121.847 0.3 . 1 . . . . 103 LEU N . 16559 1
1402 . 1 1 108 108 PRO HA H 1 4.608 0.020 . 1 . . . . 104 PRO HA . 16559 1
1403 . 1 1 108 108 PRO HB2 H 1 2.422 0.020 . 2 . . . . 104 PRO HB2 . 16559 1
1404 . 1 1 108 108 PRO HB3 H 1 2.192 0.020 . 2 . . . . 104 PRO HB3 . 16559 1
1405 . 1 1 108 108 PRO HD2 H 1 4.074 0.020 . 2 . . . . 104 PRO HD2 . 16559 1
1406 . 1 1 108 108 PRO HD3 H 1 3.303 0.020 . 2 . . . . 104 PRO HD3 . 16559 1
1407 . 1 1 108 108 PRO HG2 H 1 2.335 0.020 . 2 . . . . 104 PRO HG2 . 16559 1
1408 . 1 1 108 108 PRO HG3 H 1 1.974 0.020 . 2 . . . . 104 PRO HG3 . 16559 1
1409 . 1 1 108 108 PRO C C 13 174.994 0.3 . 1 . . . . 104 PRO C . 16559 1
1410 . 1 1 108 108 PRO CA C 13 63.690 0.3 . 1 . . . . 104 PRO CA . 16559 1
1411 . 1 1 108 108 PRO CB C 13 31.183 0.3 . 1 . . . . 104 PRO CB . 16559 1
1412 . 1 1 108 108 PRO CD C 13 49.864 0.3 . 1 . . . . 104 PRO CD . 16559 1
1413 . 1 1 108 108 PRO CG C 13 27.226 0.3 . 1 . . . . 104 PRO CG . 16559 1
1414 . 1 1 109 109 PHE H H 1 7.167 0.020 . 1 . . . . 105 PHE H . 16559 1
1415 . 1 1 109 109 PHE HA H 1 4.745 0.020 . 1 . . . . 105 PHE HA . 16559 1
1416 . 1 1 109 109 PHE HB2 H 1 3.150 0.020 . 1 . . . . 105 PHE HB2 . 16559 1
1417 . 1 1 109 109 PHE HB3 H 1 3.150 0.020 . 1 . . . . 105 PHE HB3 . 16559 1
1418 . 1 1 109 109 PHE C C 13 172.834 0.3 . 1 . . . . 105 PHE C . 16559 1
1419 . 1 1 109 109 PHE CA C 13 55.319 0.3 . 1 . . . . 105 PHE CA . 16559 1
1420 . 1 1 109 109 PHE CB C 13 40.289 0.3 . 1 . . . . 105 PHE CB . 16559 1
1421 . 1 1 109 109 PHE N N 15 116.658 0.3 . 1 . . . . 105 PHE N . 16559 1
stop_
save_
#############################
# Spectral density values #
#############################
save_spectral_density_list_1
_Spectral_density_list.Sf_category spectral_density_values
_Spectral_density_list.Sf_framecode spectral_density_list_1
_Spectral_density_list.Entry_ID 16559
_Spectral_density_list.ID 1
_Spectral_density_list.Sample_condition_list_ID 1
_Spectral_density_list.Sample_condition_list_label $sample_conditions_1
_Spectral_density_list.Details .
_Spectral_density_list.Text_data_format text
_Spectral_density_list.Text_data
;
-1 6.3521136e-10 1.8576764e-10 4.1825208e-11
0 8.0800423e-10 2.2792419e-10 3.7321745e-11
1 1.4255249e-09 2.3804707e-10 2.2482174e-11
3 3.1533532e-09 2.5427018e-10 6.0145063e-12
4 3.4442003e-09 2.5012674e-10 4.6536919e-12
6 3.7466185e-09 2.4534216e-10 3.7419002e-12
7 3.8679210e-09 2.4809218e-10 4.1177143e-12
9 3.5539779e-09 2.7706428e-10 3.9899666e-12
10 3.6911345e-09 2.5899389e-10 3.4338803e-12
11 3.8422251e-09 2.4016049e-10 3.5401591e-12
12 3.3176180e-09 2.4541162e-10 4.5979094e-12
13 1.6480527e-09 1.4133761e-10 1.0472673e-11
14 3.0410781e-09 2.1553467e-10 5.3804150e-12
15 3.4413845e-09 2.3212214e-10 4.3878116e-12
16 3.5516330e-09 2.3894726e-10 4.1613125e-12
17 3.6781054e-09 2.4488155e-10 5.5694046e-12
18 3.6883638e-09 2.5473471e-10 3.6862456e-12
19 3.5441009e-09 2.4590494e-10 4.2991252e-12
20 2.8423413e-09 2.5957358e-10 8.1243497e-12
21 3.3388192e-09 2.4343552e-10 3.6875303e-12
22 3.8232434e-09 2.5628204e-10 4.3329147e-12
23 4.2321507e-09 2.5495554e-10 3.1890014e-12
25 3.7953264e-09 2.8089464e-10 5.9144004e-12
26 4.1585750e-09 2.4709798e-10 4.4465440e-12
28 3.7258278e-09 2.6539647e-10 4.3488709e-12
29 3.9987323e-09 2.7638860e-10 3.2021872e-12
30 4.5913876e-09 2.6056039e-10 3.7480265e-12
31 4.6509121e-09 2.7479352e-10 3.4952500e-12
32 5.3268910e-09 2.5677386e-10 4.1471849e-12
33 4.0695804e-09 2.7686585e-10 5.2903195e-12
34 3.6912017e-09 2.3078090e-10 5.5425967e-12
35 3.6650004e-09 2.8171389e-10 5.6068185e-12
36 3.0685430e-09 2.4995579e-10 6.3326830e-12
38 3.3855126e-09 2.3609718e-10 5.9113253e-12
39 3.6637916e-09 2.4375228e-10 4.9285041e-12
40 3.3368005e-09 2.4799600e-10 6.7715903e-12
41 3.7319628e-09 2.5861603e-10 3.6695851e-12
42 3.5903046e-09 2.5328316e-10 3.6104276e-12
43 3.6594320e-09 2.4699516e-10 3.8067559e-12
44 4.5122028e-09 2.5092938e-10 3.8121398e-12
45 5.2041956e-09 2.5528542e-10 5.2636392e-12
46 3.6673783e-09 2.4467928e-10 3.8177297e-12
47 3.6035588e-09 2.5300720e-10 3.8864737e-12
48 3.8181030e-09 2.4563258e-10 4.1948553e-12
49 4.5420635e-09 2.3007203e-10 4.0233932e-12
50 3.8427680e-09 2.5007242e-10 4.4619050e-12
52 3.6708250e-09 2.6184833e-10 3.3446038e-12
53 3.8662723e-09 2.7409442e-10 3.3882347e-12
54 3.4081040e-09 2.5466865e-10 5.3898504e-12
55 3.7440203e-09 2.7022793e-10 3.8565467e-12
56 3.7746202e-09 2.5524634e-10 4.3172333e-12
57 3.4731068e-09 2.4162041e-10 3.8758619e-12
58 3.5868708e-09 2.3750904e-10 5.1949296e-12
59 3.7082139e-09 2.5030400e-10 3.6661416e-12
60 3.6942024e-09 2.4605220e-10 3.6815511e-12
61 4.1620747e-09 2.5349275e-10 3.8543625e-12
62 4.1537832e-09 2.7382486e-10 3.7138186e-12
63 3.6740097e-09 2.7435005e-10 4.1118738e-12
64 4.0962888e-09 2.5460465e-10 3.6574901e-12
65 3.9665730e-09 2.5434706e-10 3.1183291e-12
66 3.6776418e-09 2.5791356e-10 3.1291310e-12
67 3.7354484e-09 2.5376488e-10 4.1145247e-12
68 4.9327441e-09 2.5798774e-10 4.5471124e-12
69 8.5512678e-09 2.3296863e-10 5.8118912e-12
70 3.5987151e-09 2.4346317e-10 4.5343237e-12
71 3.8085735e-09 2.6970071e-10 4.2075190e-12
72 3.7215982e-09 2.6748647e-10 3.7251161e-12
73 3.9383805e-09 2.6268478e-10 3.8266254e-12
74 4.5795029e-09 2.6329381e-10 5.3088030e-12
75 4.0492667e-09 2.7200487e-10 4.0043107e-12
76 3.7196887e-09 2.5519007e-10 3.5896285e-12
77 4.0094111e-09 2.5318754e-10 2.6486358e-12
78 4.0781489e-09 2.4556104e-10 3.3931848e-12
79 4.1382611e-09 2.4377020e-10 4.2446041e-12
80 4.1445723e-09 2.4387258e-10 3.6944888e-12
81 4.9171313e-09 2.4263554e-10 4.2627884e-12
82 4.2951038e-09 2.3762359e-10 3.5446638e-12
83 4.2512259e-09 2.3652443e-10 3.7727117e-12
84 4.1455625e-09 2.3244190e-10 3.3231554e-12
85 5.7243569e-09 2.2932910e-10 3.3168493e-12
86 4.9819225e-09 2.5089708e-10 3.7602414e-12
87 4.2585956e-09 2.4602128e-10 3.7903254e-12
89 3.4873211e-09 2.3605577e-10 3.8335519e-12
90 4.1189157e-09 2.4807605e-10 3.5137859e-12
91 3.8300011e-09 2.6077082e-10 3.5470463e-12
92 3.4317277e-09 2.2562406e-10 3.8200935e-12
93 3.4323738e-09 2.6081075e-10 4.4646339e-12
94 3.5917040e-09 2.5148454e-10 4.6641311e-12
95 4.2062233e-09 2.3987265e-10 3.9638361e-12
96 1.8760698e-09 2.4397172e-10 1.0262141e-11
97 3.9411762e-09 2.5043889e-10 3.2958081e-12
98 3.6316288e-09 2.4473828e-10 3.5561904e-12
99 4.3607564e-09 2.5376771e-10 3.9498808e-12
100 3.6972962e-09 2.5197260e-10 4.2254295e-12
101 3.8715810e-09 2.4710512e-10 3.7039443e-12
103 3.4646015e-09 2.4084343e-10 5.0797645e-12
105 1.0627611e-08 2.7983671e-10 4.2152718e-12
106 6.4456778e-09 2.6825826e-10 7.3196127e-12
108 3.2653269e-09 2.4222771e-10 9.2268707e-12
109 3.0433661e-09 2.4594188e-10 8.7676558e-12
111 3.4028358e-09 2.6614068e-10 8.7107890e-12
112 6.2085928e-09 2.7030964e-10 1.1417135e-11
113 6.4073977e-09 2.8654373e-10 1.3047302e-11
114 3.8708367e-09 2.6075040e-10 1.0392577e-11
115 4.1139359e-09 2.4944909e-10 5.2257717e-12
116 7.3527748e-09 2.7249504e-10 1.0489867e-11
117 3.1590489e-09 2.7533031e-10 7.9811191e-12
118 3.2085287e-09 2.4740398e-10 8.8595889e-12
119 1.1051424e-08 2.7726217e-10 8.3078763e-12
120 3.0239648e-09 2.3289776e-10 9.0316030e-12
121 3.0070487e-09 2.0399892e-10 2.7172957e-11
122 2.6800545e-09 2.5951375e-10 1.1011611e-11
123 9.6985618e-10 2.4905357e-10 2.2566294e-11
124 5.3540321e-10 2.2329508e-10 3.2671564e-11
;
loop_
_Spectral_density_experiment.Experiment_ID
_Spectral_density_experiment.Experiment_name
_Spectral_density_experiment.Sample_ID
_Spectral_density_experiment.Sample_label
_Spectral_density_experiment.Sample_state
_Spectral_density_experiment.Entry_ID
_Spectral_density_experiment.Spectral_density_list_ID
13 '2D 15N T1' 3 $13C-15N . 16559 1
14 '2D 15N T2' 3 $13C-15N . 16559 1
15 '2D 1H-15N NOE' 3 $13C-15N . 16559 1
stop_
save_