data_19288
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 19288
_Entry.Title
;
Solution NMR Structure of E3 ubiquitin-protein ligase ZFP91 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7784A
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2013-06-05
_Entry.Accession_date 2013-06-05
_Entry.Last_release_date 2013-07-22
_Entry.Original_release_date 2013-07-22
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Details
;
The NESG target Hr7784A contains three C2H2 zinc finger motifs between residues
370 and 456 of the Homo sapiens E3 ubiquitin-protein ligase ZFP91. Correlation
time measurements using cross-correlation based NMR spin relaxation experiments
suggest that the three zinc finger motifs are connected by flexible loops and
not restricted with respect to one another. Residual dipolar couplings also
indicate that the three domains are oriented independently. Therefore the
positions of domains with respect to one another in the structures reported are
not significant.
;
_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 Kari Pederson . . . 19288
2 Ritu Shastry . . . 19288
3 Eitan Kohan . . . 19288
4 Haleema Janjua . . . 19288
5 Rong Xiao . . . 19288
6 Thomas Acton . B. . 19288
7 John Everett . K. . 19288
8 Gaetano Montelione . T. . 19288
9 James Prestegard . H. . 19288
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 PSI:Biology 'Northeast Structural Genomics Consortium' . 19288
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
1 . 'Northeast Structural Genomics Consortium' . 19288
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
C2H2 . 19288
Hr7784A . 19288
PSI:Biology . 19288
Zinc . 19288
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 19288
RDCs 2 19288
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 369 19288
'15N chemical shifts' 90 19288
'1H chemical shifts' 591 19288
'residual dipolar couplings' 157 19288
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2013-07-22 2013-06-05 original author . 19288
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2M9A 'BMRB Entry Tracking System' 19288
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 19288
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title 'Solution Structure of Hr7784A'
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'Not known'
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Kari Pederson . . . 19288 1
2 Gaetano Montelione . T. . 19288 1
3 James Prestegard . H. . 19288 1
4 Ritu Shastry . . . 19288 1
5 Eitan Kohan . . . 19288 1
6 Haleema Janjua . . . 19288 1
7 Rong Xiao . . . 19288 1
8 Thomas Acton . B. . 19288 1
9 John Everett . K. . 19288 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 19288
_Assembly.ID 1
_Assembly.Name HR7784A
_Assembly.BMRB_code .
_Assembly.Number_of_components 4
_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 HR7784A 1 $HR7784A A . yes native no no . . . 19288 1
2 Zn_1 2 $entity_ZN B . no nonpolymer no no . . . 19288 1
3 Zn_2 2 $entity_ZN C . no nonpolymer no no . . . 19288 1
4 Zn_3 2 $entity_ZN D . no nonpolymer no no . . . 19288 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
yes PDB 2m9a . . 'solution NMR' . . . 19288 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_HR7784A
_Entity.Sf_category entity
_Entity.Sf_framecode HR7784A
_Entity.Entry_ID 19288
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name HR7784A
_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
;
MGHHHHHHSHMRDYICEYCA
RAFKSSHNLAVHRMIHTGEK
PLQCEICGFTCRQKASLNWH
MKKHDADSFYQFSCNICGKK
FEKKDSVVAHKAKSHPEV
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details 'MGHHHHHHS are at N-terminal as part of His-Tag. It is not include in the coordinate file.'
_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 98
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all other bound'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 10396.114
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2M9A . "Solution Nmr Structure Of E3 Ubiquitin-protein Ligase Zfp91 From Homo Sapiens, Northeast Structural Genomics Consortium (nesg) " . . . . . 100.00 98 100.00 100.00 5.94e-65 . . . . 19288 1
2 no DBJ BAC26394 . "unnamed protein product [Mus musculus]" . . . . . 66.33 179 100.00 100.00 6.55e-41 . . . . 19288 1
3 no DBJ BAC40660 . "unnamed protein product [Mus musculus]" . . . . . 66.33 179 100.00 100.00 7.22e-41 . . . . 19288 1
4 no DBJ BAG58548 . "unnamed protein product [Homo sapiens]" . . . . . 66.33 179 100.00 100.00 6.55e-41 . . . . 19288 1
5 no GB KFQ07199 . "E3 ubiquitin-protein ligase ZFP91, partial [Haliaeetus albicilla]" . . . . . 88.78 356 100.00 100.00 2.87e-56 . . . . 19288 1
6 no REF XP_008587874 . "PREDICTED: E3 ubiquitin-protein ligase ZFP91-like [Galeopterus variegatus]" . . . . . 57.14 240 98.21 100.00 7.24e-32 . . . . 19288 1
7 no REF XP_010166167 . "PREDICTED: E3 ubiquitin-protein ligase ZFP91 [Caprimulgus carolinensis]" . . . . . 66.33 180 100.00 100.00 9.93e-41 . . . . 19288 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 1 MET . 19288 1
2 2 GLY . 19288 1
3 3 HIS . 19288 1
4 4 HIS . 19288 1
5 5 HIS . 19288 1
6 6 HIS . 19288 1
7 7 HIS . 19288 1
8 8 HIS . 19288 1
9 9 SER . 19288 1
10 10 HIS . 19288 1
11 11 MET . 19288 1
12 12 ARG . 19288 1
13 13 ASP . 19288 1
14 14 TYR . 19288 1
15 15 ILE . 19288 1
16 16 CYS . 19288 1
17 17 GLU . 19288 1
18 18 TYR . 19288 1
19 19 CYS . 19288 1
20 20 ALA . 19288 1
21 21 ARG . 19288 1
22 22 ALA . 19288 1
23 23 PHE . 19288 1
24 24 LYS . 19288 1
25 25 SER . 19288 1
26 26 SER . 19288 1
27 27 HIS . 19288 1
28 28 ASN . 19288 1
29 29 LEU . 19288 1
30 30 ALA . 19288 1
31 31 VAL . 19288 1
32 32 HIS . 19288 1
33 33 ARG . 19288 1
34 34 MET . 19288 1
35 35 ILE . 19288 1
36 36 HIS . 19288 1
37 37 THR . 19288 1
38 38 GLY . 19288 1
39 39 GLU . 19288 1
40 40 LYS . 19288 1
41 41 PRO . 19288 1
42 42 LEU . 19288 1
43 43 GLN . 19288 1
44 44 CYS . 19288 1
45 45 GLU . 19288 1
46 46 ILE . 19288 1
47 47 CYS . 19288 1
48 48 GLY . 19288 1
49 49 PHE . 19288 1
50 50 THR . 19288 1
51 51 CYS . 19288 1
52 52 ARG . 19288 1
53 53 GLN . 19288 1
54 54 LYS . 19288 1
55 55 ALA . 19288 1
56 56 SER . 19288 1
57 57 LEU . 19288 1
58 58 ASN . 19288 1
59 59 TRP . 19288 1
60 60 HIS . 19288 1
61 61 MET . 19288 1
62 62 LYS . 19288 1
63 63 LYS . 19288 1
64 64 HIS . 19288 1
65 65 ASP . 19288 1
66 66 ALA . 19288 1
67 67 ASP . 19288 1
68 68 SER . 19288 1
69 69 PHE . 19288 1
70 70 TYR . 19288 1
71 71 GLN . 19288 1
72 72 PHE . 19288 1
73 73 SER . 19288 1
74 74 CYS . 19288 1
75 75 ASN . 19288 1
76 76 ILE . 19288 1
77 77 CYS . 19288 1
78 78 GLY . 19288 1
79 79 LYS . 19288 1
80 80 LYS . 19288 1
81 81 PHE . 19288 1
82 82 GLU . 19288 1
83 83 LYS . 19288 1
84 84 LYS . 19288 1
85 85 ASP . 19288 1
86 86 SER . 19288 1
87 87 VAL . 19288 1
88 88 VAL . 19288 1
89 89 ALA . 19288 1
90 90 HIS . 19288 1
91 91 LYS . 19288 1
92 92 ALA . 19288 1
93 93 LYS . 19288 1
94 94 SER . 19288 1
95 95 HIS . 19288 1
96 96 PRO . 19288 1
97 97 GLU . 19288 1
98 98 VAL . 19288 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 19288 1
. GLY 2 2 19288 1
. HIS 3 3 19288 1
. HIS 4 4 19288 1
. HIS 5 5 19288 1
. HIS 6 6 19288 1
. HIS 7 7 19288 1
. HIS 8 8 19288 1
. SER 9 9 19288 1
. HIS 10 10 19288 1
. MET 11 11 19288 1
. ARG 12 12 19288 1
. ASP 13 13 19288 1
. TYR 14 14 19288 1
. ILE 15 15 19288 1
. CYS 16 16 19288 1
. GLU 17 17 19288 1
. TYR 18 18 19288 1
. CYS 19 19 19288 1
. ALA 20 20 19288 1
. ARG 21 21 19288 1
. ALA 22 22 19288 1
. PHE 23 23 19288 1
. LYS 24 24 19288 1
. SER 25 25 19288 1
. SER 26 26 19288 1
. HIS 27 27 19288 1
. ASN 28 28 19288 1
. LEU 29 29 19288 1
. ALA 30 30 19288 1
. VAL 31 31 19288 1
. HIS 32 32 19288 1
. ARG 33 33 19288 1
. MET 34 34 19288 1
. ILE 35 35 19288 1
. HIS 36 36 19288 1
. THR 37 37 19288 1
. GLY 38 38 19288 1
. GLU 39 39 19288 1
. LYS 40 40 19288 1
. PRO 41 41 19288 1
. LEU 42 42 19288 1
. GLN 43 43 19288 1
. CYS 44 44 19288 1
. GLU 45 45 19288 1
. ILE 46 46 19288 1
. CYS 47 47 19288 1
. GLY 48 48 19288 1
. PHE 49 49 19288 1
. THR 50 50 19288 1
. CYS 51 51 19288 1
. ARG 52 52 19288 1
. GLN 53 53 19288 1
. LYS 54 54 19288 1
. ALA 55 55 19288 1
. SER 56 56 19288 1
. LEU 57 57 19288 1
. ASN 58 58 19288 1
. TRP 59 59 19288 1
. HIS 60 60 19288 1
. MET 61 61 19288 1
. LYS 62 62 19288 1
. LYS 63 63 19288 1
. HIS 64 64 19288 1
. ASP 65 65 19288 1
. ALA 66 66 19288 1
. ASP 67 67 19288 1
. SER 68 68 19288 1
. PHE 69 69 19288 1
. TYR 70 70 19288 1
. GLN 71 71 19288 1
. PHE 72 72 19288 1
. SER 73 73 19288 1
. CYS 74 74 19288 1
. ASN 75 75 19288 1
. ILE 76 76 19288 1
. CYS 77 77 19288 1
. GLY 78 78 19288 1
. LYS 79 79 19288 1
. LYS 80 80 19288 1
. PHE 81 81 19288 1
. GLU 82 82 19288 1
. LYS 83 83 19288 1
. LYS 84 84 19288 1
. ASP 85 85 19288 1
. SER 86 86 19288 1
. VAL 87 87 19288 1
. VAL 88 88 19288 1
. ALA 89 89 19288 1
. HIS 90 90 19288 1
. LYS 91 91 19288 1
. ALA 92 92 19288 1
. LYS 93 93 19288 1
. SER 94 94 19288 1
. HIS 95 95 19288 1
. PRO 96 96 19288 1
. GLU 97 97 19288 1
. VAL 98 98 19288 1
stop_
save_
save_entity_ZN
_Entity.Sf_category entity
_Entity.Sf_framecode entity_ZN
_Entity.Entry_ID 19288
_Entity.ID 2
_Entity.BMRB_code ZN
_Entity.Name 'ZINC ION'
_Entity.Type non-polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type .
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code .
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers .
_Entity.Number_of_nonpolymer_components 1
_Entity.Paramagnetic .
_Entity.Thiol_state .
_Entity.Src_method .
_Entity.Parent_entity_ID 2
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 65.409
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'ZINC ION' BMRB 19288 2
stop_
loop_
_Entity_systematic_name.Name
_Entity_systematic_name.Naming_system
_Entity_systematic_name.Entry_ID
_Entity_systematic_name.Entity_ID
'ZINC ION' BMRB 19288 2
ZN 'Three letter code' 19288 2
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 1 ZN $chem_comp_ZN 19288 2
stop_
loop_
_Entity_atom_list.ID
_Entity_atom_list.Comp_index_ID
_Entity_atom_list.Comp_ID
_Entity_atom_list.Atom_ID
_Entity_atom_list.Entry_ID
_Entity_atom_list.Entity_ID
1 1 ZN ZN 19288 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 19288
_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 $HR7784A . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'ZFP91, ZNF757, FKSG11' . . . . 19288 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 19288
_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 $HR7784A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15_NESG . . . . . . 19288 1
2 2 $entity_ZN . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19288 1
stop_
save_
#################################
# Polymer residues and ligands #
#################################
save_chem_comp_ZN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ZN
_Chem_comp.Entry_ID 19288
_Chem_comp.ID ZN
_Chem_comp.Provenance PDB
_Chem_comp.Name 'ZINC ION'
_Chem_comp.Type NON-POLYMER
_Chem_comp.BMRB_code ZN
_Chem_comp.PDB_code ZN
_Chem_comp.Ambiguous_flag no
_Chem_comp.Initial_date 2012-11-20
_Chem_comp.Modified_date 2012-11-20
_Chem_comp.Release_status REL
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code ZN
_Chem_comp.Number_atoms_all 1
_Chem_comp.Number_atoms_nh 1
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code InChI=1S/Zn/q+2
_Chem_comp.Mon_nstd_flag .
_Chem_comp.Mon_nstd_class .
_Chem_comp.Mon_nstd_details .
_Chem_comp.Mon_nstd_parent .
_Chem_comp.Mon_nstd_parent_comp_ID .
_Chem_comp.Std_deriv_one_letter_code .
_Chem_comp.Std_deriv_three_letter_code .
_Chem_comp.Std_deriv_BMRB_code .
_Chem_comp.Std_deriv_PDB_code .
_Chem_comp.Std_deriv_chem_comp_name .
_Chem_comp.Synonyms .
_Chem_comp.Formal_charge 2
_Chem_comp.Paramagnetic .
_Chem_comp.Aromatic no
_Chem_comp.Formula Zn
_Chem_comp.Formula_weight 65.409
_Chem_comp.Formula_mono_iso_wt_nat .
_Chem_comp.Formula_mono_iso_wt_13C .
_Chem_comp.Formula_mono_iso_wt_15N .
_Chem_comp.Formula_mono_iso_wt_13C_15N .
_Chem_comp.Image_file_name .
_Chem_comp.Image_file_format .
_Chem_comp.Topo_file_name .
_Chem_comp.Topo_file_format .
_Chem_comp.Struct_file_name .
_Chem_comp.Struct_file_format .
_Chem_comp.Stereochem_param_file_name .
_Chem_comp.Stereochem_param_file_format .
_Chem_comp.Model_details .
_Chem_comp.Model_erf .
_Chem_comp.Model_source .
_Chem_comp.Model_coordinates_details .
_Chem_comp.Model_coordinates_missing_flag no
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag no
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site RCSB
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details .
_Chem_comp.DB_query_date .
_Chem_comp.DB_last_query_revised_last_date .
loop_
_Chem_comp_descriptor.Descriptor
_Chem_comp_descriptor.Type
_Chem_comp_descriptor.Program
_Chem_comp_descriptor.Program_version
_Chem_comp_descriptor.Entry_ID
_Chem_comp_descriptor.Comp_ID
InChI=1S/Zn/q+2 InChI InChI 1.03 19288 ZN
PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19288 ZN
[Zn++] SMILES CACTVS 3.341 19288 ZN
[Zn++] SMILES_CANONICAL CACTVS 3.341 19288 ZN
[Zn+2] SMILES ACDLabs 10.04 19288 ZN
[Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19288 ZN
[Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19288 ZN
stop_
loop_
_Chem_comp_identifier.Identifier
_Chem_comp_identifier.Type
_Chem_comp_identifier.Program
_Chem_comp_identifier.Program_version
_Chem_comp_identifier.Entry_ID
_Chem_comp_identifier.Comp_ID
zinc 'SYSTEMATIC NAME' ACDLabs 10.04 19288 ZN
'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19288 ZN
stop_
loop_
_Chem_comp_atom.Atom_ID
_Chem_comp_atom.BMRB_code
_Chem_comp_atom.PDB_atom_ID
_Chem_comp_atom.Alt_atom_ID
_Chem_comp_atom.Auth_atom_ID
_Chem_comp_atom.Type_symbol
_Chem_comp_atom.Isotope_number
_Chem_comp_atom.Chirality
_Chem_comp_atom.Stereo_config
_Chem_comp_atom.Charge
_Chem_comp_atom.Partial_charge
_Chem_comp_atom.Oxidation_number
_Chem_comp_atom.Unpaired_electron_number
_Chem_comp_atom.Align
_Chem_comp_atom.Aromatic_flag
_Chem_comp_atom.Leaving_atom_flag
_Chem_comp_atom.Substruct_code
_Chem_comp_atom.Ionizable
_Chem_comp_atom.Drawing_2D_coord_x
_Chem_comp_atom.Drawing_2D_coord_y
_Chem_comp_atom.Model_Cartn_x
_Chem_comp_atom.Model_Cartn_x_esd
_Chem_comp_atom.Model_Cartn_y
_Chem_comp_atom.Model_Cartn_y_esd
_Chem_comp_atom.Model_Cartn_z
_Chem_comp_atom.Model_Cartn_z_esd
_Chem_comp_atom.Model_Cartn_x_ideal
_Chem_comp_atom.Model_Cartn_y_ideal
_Chem_comp_atom.Model_Cartn_z_ideal
_Chem_comp_atom.PDBX_ordinal
_Chem_comp_atom.Details
_Chem_comp_atom.Entry_ID
_Chem_comp_atom.Comp_ID
ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19288 ZN
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_NC_sample
_Sample.Sf_category sample
_Sample.Sf_framecode NC_sample
_Sample.Entry_ID 19288
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 HR7784A '[U-100% 13C; U-100% 15N]' . . 1 $HR7784A . . 1.17 . . mM . . . . 19288 1
2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19288 1
3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19288 1
4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19288 1
5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19288 1
6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19288 1
7 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19288 1
8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19288 1
9 D20 'natural abundance' . . . . . . 5 . . % . . . . 19288 1
stop_
save_
save_C12E5
_Sample.Sf_category sample
_Sample.Sf_framecode C12E5
_Sample.Entry_ID 19288
_Sample.ID 2
_Sample.Type micelle
_Sample.Sub_type .
_Sample.Details 'C12E5 solution for RDC'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 HR7784A '[U-100% 15N]' . . 1 $HR7784A . . 0.66 . . mM . . . . 19288 2
2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19288 2
3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19288 2
4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19288 2
5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19288 2
6 C12E5 'natural abundance' . . . . . . 4.2 . . % . . . . 19288 2
7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19288 2
8 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19288 2
9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19288 2
10 D20 'natural abundance' . . . . . . 5 . . % . . . . 19288 2
stop_
save_
save_Polyacrylamide_Gel
_Sample.Sf_category sample
_Sample.Sf_framecode Polyacrylamide_Gel
_Sample.Entry_ID 19288
_Sample.ID 3
_Sample.Type 'gel solid'
_Sample.Sub_type .
_Sample.Details 'Positively charged polyacrylamide gel for RDC'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 HR7784A '[U-100% 13C; U-100% 15N]' . . 1 $HR7784A . . 0.66 . . mM . . . . 19288 3
2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19288 3
3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19288 3
4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19288 3
5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19288 3
6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19288 3
7 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19288 3
8 'positively charged polyacrylamide gel' 'natural abundance' . . . . . . 5 . . % . . . . 19288 3
9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19288 3
10 D20 'natural abundance' . . . . . . 5 . . % . . . . 19288 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 19288
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 100 . mM 19288 1
pH 6.5 . pH 19288 1
pressure 1 . atm 19288 1
temperature 298 . K 19288 1
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 19288
_Software.ID 1
_Software.Name CYANA
_Software.Version 2.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 19288 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 19288 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 19288
_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' . . 19288 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 19288 2
stop_
save_
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 19288
_Software.ID 3
_Software.Name SPARKY
_Software.Version 3.113
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 19288 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 19288 3
'peak picking' 19288 3
stop_
save_
save_X-PLOR_NIH
_Software.Sf_category software
_Software.Sf_framecode X-PLOR_NIH
_Software.Entry_ID 19288
_Software.ID 4
_Software.Name 'X-PLOR NIH'
_Software.Version 2.28
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Schwieters, Kuszewski, Tjandra and Clore' . . 19288 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 19288 4
stop_
save_
save_PSVS
_Software.Sf_category software
_Software.Sf_framecode PSVS
_Software.Entry_ID 19288
_Software.ID 5
_Software.Name PSVS
_Software.Version 1.4
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bhattacharya and Montelione' . . 19288 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 19288 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 19288
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 19288
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Varian INOVA . 600 . . . 19288 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 19288
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1
2 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1
3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1
4 '3D HNCACB' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1
5 '3D HNCO' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1
6 '3D H(CCO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1
7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1
8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1
9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1
10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1
11 '2D CB(CGCD)HD' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1
12 '2D CB(CGCDCE)HE' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1
13 '2D 1H-15N J-modulation HSQC' no . . . . . . . . . . 2 $C12E5 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1
14 '2D 1H-15N J-modulation HSQC' no . . . . . . . . . . 3 $Polyacrylamide_Gel anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 1
15 '2D 1H-15N J-modulation HSQC' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19288 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 19288
_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 . . . . . . . . . 19288 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19288 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19288 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 19288
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 19288 1
2 '2D 1H-13C HSQC aromatic' . . . 19288 1
3 '3D CBCA(CO)NH' . . . 19288 1
4 '3D HNCACB' . . . 19288 1
5 '3D HNCO' . . . 19288 1
6 '3D H(CCO)NH' . . . 19288 1
7 '3D HCCH-TOCSY' . . . 19288 1
11 '2D CB(CGCD)HD' . . . 19288 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 10 10 HIS HA H 1 4.620 0.003 . 1 . . . A 10 HIS HA . 19288 1
2 . 1 1 10 10 HIS HB2 H 1 3.119 0.027 . 2 . . . A 10 HIS HB2 . 19288 1
3 . 1 1 10 10 HIS HB3 H 1 3.119 0.027 . 2 . . . A 10 HIS HB3 . 19288 1
4 . 1 1 10 10 HIS HD2 H 1 7.028 0.001 . 1 . . . A 10 HIS HD2 . 19288 1
5 . 1 1 10 10 HIS CA C 13 56.302 0.124 . 1 . . . A 10 HIS CA . 19288 1
6 . 1 1 10 10 HIS CB C 13 30.312 0.069 . 1 . . . A 10 HIS CB . 19288 1
7 . 1 1 10 10 HIS CD2 C 13 119.362 0.000 . 1 . . . A 10 HIS CD2 . 19288 1
8 . 1 1 11 11 MET H H 1 8.178 0.003 . 1 . . . A 11 MET H . 19288 1
9 . 1 1 11 11 MET HA H 1 4.387 0.003 . 1 . . . A 11 MET HA . 19288 1
10 . 1 1 11 11 MET HB2 H 1 1.989 0.004 . 2 . . . A 11 MET HB2 . 19288 1
11 . 1 1 11 11 MET HB3 H 1 1.989 0.004 . 2 . . . A 11 MET HB3 . 19288 1
12 . 1 1 11 11 MET HG2 H 1 2.426 0.005 . 2 . . . A 11 MET HG2 . 19288 1
13 . 1 1 11 11 MET HG3 H 1 2.426 0.005 . 2 . . . A 11 MET HG3 . 19288 1
14 . 1 1 11 11 MET CA C 13 55.835 0.050 . 1 . . . A 11 MET CA . 19288 1
15 . 1 1 11 11 MET CB C 13 32.794 0.086 . 1 . . . A 11 MET CB . 19288 1
16 . 1 1 11 11 MET CG C 13 32.111 0.012 . 1 . . . A 11 MET CG . 19288 1
17 . 1 1 11 11 MET N N 15 121.464 0.021 . 1 . . . A 11 MET N . 19288 1
18 . 1 1 12 12 ARG H H 1 8.209 0.015 . 1 . . . A 12 ARG H . 19288 1
19 . 1 1 12 12 ARG HA H 1 4.244 0.005 . 1 . . . A 12 ARG HA . 19288 1
20 . 1 1 12 12 ARG HB2 H 1 1.664 0.011 . 2 . . . A 12 ARG HB2 . 19288 1
21 . 1 1 12 12 ARG HB3 H 1 1.664 0.011 . 2 . . . A 12 ARG HB3 . 19288 1
22 . 1 1 12 12 ARG HG2 H 1 1.402 0.009 . 2 . . . A 12 ARG HG2 . 19288 1
23 . 1 1 12 12 ARG HG3 H 1 1.402 0.009 . 2 . . . A 12 ARG HG3 . 19288 1
24 . 1 1 12 12 ARG HD2 H 1 3.052 0.007 . 2 . . . A 12 ARG HD2 . 19288 1
25 . 1 1 12 12 ARG HD3 H 1 3.052 0.007 . 2 . . . A 12 ARG HD3 . 19288 1
26 . 1 1 12 12 ARG CA C 13 55.802 0.135 . 1 . . . A 12 ARG CA . 19288 1
27 . 1 1 12 12 ARG CB C 13 31.110 0.070 . 1 . . . A 12 ARG CB . 19288 1
28 . 1 1 12 12 ARG CG C 13 26.771 0.066 . 1 . . . A 12 ARG CG . 19288 1
29 . 1 1 12 12 ARG CD C 13 43.471 0.030 . 1 . . . A 12 ARG CD . 19288 1
30 . 1 1 12 12 ARG N N 15 121.614 0.061 . 1 . . . A 12 ARG N . 19288 1
31 . 1 1 13 13 ASP H H 1 7.858 0.004 . 1 . . . A 13 ASP H . 19288 1
32 . 1 1 13 13 ASP HA H 1 4.667 0.008 . 1 . . . A 13 ASP HA . 19288 1
33 . 1 1 13 13 ASP HB2 H 1 2.350 0.009 . 2 . . . A 13 ASP HB2 . 19288 1
34 . 1 1 13 13 ASP HB3 H 1 2.350 0.009 . 2 . . . A 13 ASP HB3 . 19288 1
35 . 1 1 13 13 ASP C C 13 175.723 0.000 . 1 . . . A 13 ASP C . 19288 1
36 . 1 1 13 13 ASP CA C 13 54.112 0.104 . 1 . . . A 13 ASP CA . 19288 1
37 . 1 1 13 13 ASP CB C 13 42.459 0.086 . 1 . . . A 13 ASP CB . 19288 1
38 . 1 1 13 13 ASP N N 15 119.634 0.093 . 1 . . . A 13 ASP N . 19288 1
39 . 1 1 14 14 TYR H H 1 8.676 0.007 . 1 . . . A 14 TYR H . 19288 1
40 . 1 1 14 14 TYR HA H 1 4.534 0.007 . 1 . . . A 14 TYR HA . 19288 1
41 . 1 1 14 14 TYR HB2 H 1 2.820 0.011 . 2 . . . A 14 TYR HB2 . 19288 1
42 . 1 1 14 14 TYR HB3 H 1 2.820 0.011 . 2 . . . A 14 TYR HB3 . 19288 1
43 . 1 1 14 14 TYR HD1 H 1 6.964 0.021 . 1 . . . A 14 TYR HD1 . 19288 1
44 . 1 1 14 14 TYR HD2 H 1 6.964 0.021 . 1 . . . A 14 TYR HD2 . 19288 1
45 . 1 1 14 14 TYR HE1 H 1 6.777 0.002 . 1 . . . A 14 TYR HE1 . 19288 1
46 . 1 1 14 14 TYR HE2 H 1 6.777 0.002 . 1 . . . A 14 TYR HE2 . 19288 1
47 . 1 1 14 14 TYR C C 13 174.767 0.000 . 1 . . . A 14 TYR C . 19288 1
48 . 1 1 14 14 TYR CA C 13 57.521 0.087 . 1 . . . A 14 TYR CA . 19288 1
49 . 1 1 14 14 TYR CB C 13 38.608 0.133 . 1 . . . A 14 TYR CB . 19288 1
50 . 1 1 14 14 TYR CD1 C 13 132.664 0.051 . 1 . . . A 14 TYR CD1 . 19288 1
51 . 1 1 14 14 TYR CE1 C 13 117.685 0.012 . 1 . . . A 14 TYR CE1 . 19288 1
52 . 1 1 14 14 TYR N N 15 120.932 0.048 . 1 . . . A 14 TYR N . 19288 1
53 . 1 1 15 15 ILE H H 1 8.479 0.006 . 1 . . . A 15 ILE H . 19288 1
54 . 1 1 15 15 ILE HA H 1 4.714 0.009 . 1 . . . A 15 ILE HA . 19288 1
55 . 1 1 15 15 ILE HB H 1 1.669 0.009 . 1 . . . A 15 ILE HB . 19288 1
56 . 1 1 15 15 ILE HG12 H 1 1.327 0.008 . 2 . . . A 15 ILE HG12 . 19288 1
57 . 1 1 15 15 ILE HG13 H 1 1.000 0.007 . 2 . . . A 15 ILE HG13 . 19288 1
58 . 1 1 15 15 ILE HG21 H 1 0.678 0.007 . 1 . . . A 15 ILE HG21 . 19288 1
59 . 1 1 15 15 ILE HG22 H 1 0.678 0.007 . 1 . . . A 15 ILE HG22 . 19288 1
60 . 1 1 15 15 ILE HG23 H 1 0.678 0.007 . 1 . . . A 15 ILE HG23 . 19288 1
61 . 1 1 15 15 ILE HD11 H 1 0.718 0.007 . 1 . . . A 15 ILE HD11 . 19288 1
62 . 1 1 15 15 ILE HD12 H 1 0.718 0.007 . 1 . . . A 15 ILE HD12 . 19288 1
63 . 1 1 15 15 ILE HD13 H 1 0.718 0.007 . 1 . . . A 15 ILE HD13 . 19288 1
64 . 1 1 15 15 ILE C C 13 175.178 0.000 . 1 . . . A 15 ILE C . 19288 1
65 . 1 1 15 15 ILE CA C 13 59.647 0.083 . 1 . . . A 15 ILE CA . 19288 1
66 . 1 1 15 15 ILE CB C 13 39.969 0.064 . 1 . . . A 15 ILE CB . 19288 1
67 . 1 1 15 15 ILE CG1 C 13 27.812 0.032 . 1 . . . A 15 ILE CG1 . 19288 1
68 . 1 1 15 15 ILE CG2 C 13 17.255 0.059 . 1 . . . A 15 ILE CG2 . 19288 1
69 . 1 1 15 15 ILE CD1 C 13 12.503 0.095 . 1 . . . A 15 ILE CD1 . 19288 1
70 . 1 1 15 15 ILE N N 15 124.585 0.025 . 1 . . . A 15 ILE N . 19288 1
71 . 1 1 16 16 CYS H H 1 9.141 0.016 . 1 . . . A 16 CYS H . 19288 1
72 . 1 1 16 16 CYS HA H 1 4.334 0.004 . 1 . . . A 16 CYS HA . 19288 1
73 . 1 1 16 16 CYS HB2 H 1 3.438 0.012 . 2 . . . A 16 CYS HB2 . 19288 1
74 . 1 1 16 16 CYS HB3 H 1 2.947 0.010 . 2 . . . A 16 CYS HB3 . 19288 1
75 . 1 1 16 16 CYS C C 13 174.675 0.000 . 1 . . . A 16 CYS C . 19288 1
76 . 1 1 16 16 CYS CA C 13 61.303 0.125 . 1 . . . A 16 CYS CA . 19288 1
77 . 1 1 16 16 CYS CB C 13 30.233 0.101 . 1 . . . A 16 CYS CB . 19288 1
78 . 1 1 16 16 CYS N N 15 129.411 0.078 . 1 . . . A 16 CYS N . 19288 1
79 . 1 1 17 17 GLU H H 1 10.744 0.005 . 1 . . . A 17 GLU H . 19288 1
80 . 1 1 17 17 GLU HA H 1 4.200 0.012 . 1 . . . A 17 GLU HA . 19288 1
81 . 1 1 17 17 GLU HB2 H 1 1.940 0.026 . 2 . . . A 17 GLU HB2 . 19288 1
82 . 1 1 17 17 GLU HB3 H 1 1.940 0.026 . 2 . . . A 17 GLU HB3 . 19288 1
83 . 1 1 17 17 GLU HG2 H 1 1.985 0.036 . 2 . . . A 17 GLU HG2 . 19288 1
84 . 1 1 17 17 GLU HG3 H 1 1.718 0.031 . 2 . . . A 17 GLU HG3 . 19288 1
85 . 1 1 17 17 GLU C C 13 175.826 0.000 . 1 . . . A 17 GLU C . 19288 1
86 . 1 1 17 17 GLU CA C 13 58.616 0.137 . 1 . . . A 17 GLU CA . 19288 1
87 . 1 1 17 17 GLU CB C 13 28.133 0.111 . 1 . . . A 17 GLU CB . 19288 1
88 . 1 1 17 17 GLU CG C 13 35.515 0.023 . 1 . . . A 17 GLU CG . 19288 1
89 . 1 1 17 17 GLU N N 15 133.830 0.107 . 1 . . . A 17 GLU N . 19288 1
90 . 1 1 18 18 TYR H H 1 9.190 0.010 . 1 . . . A 18 TYR H . 19288 1
91 . 1 1 18 18 TYR HA H 1 4.316 0.013 . 1 . . . A 18 TYR HA . 19288 1
92 . 1 1 18 18 TYR HB2 H 1 2.224 0.010 . 2 . . . A 18 TYR HB2 . 19288 1
93 . 1 1 18 18 TYR HB3 H 1 1.761 0.012 . 2 . . . A 18 TYR HB3 . 19288 1
94 . 1 1 18 18 TYR HD1 H 1 6.978 0.001 . 1 . . . A 18 TYR HD1 . 19288 1
95 . 1 1 18 18 TYR HD2 H 1 6.978 0.001 . 1 . . . A 18 TYR HD2 . 19288 1
96 . 1 1 18 18 TYR HE1 H 1 6.726 0.014 . 1 . . . A 18 TYR HE1 . 19288 1
97 . 1 1 18 18 TYR HE2 H 1 6.726 0.014 . 1 . . . A 18 TYR HE2 . 19288 1
98 . 1 1 18 18 TYR C C 13 176.782 0.000 . 1 . . . A 18 TYR C . 19288 1
99 . 1 1 18 18 TYR CA C 13 60.371 0.121 . 1 . . . A 18 TYR CA . 19288 1
100 . 1 1 18 18 TYR CB C 13 37.374 0.110 . 1 . . . A 18 TYR CB . 19288 1
101 . 1 1 18 18 TYR CD1 C 13 132.695 0.011 . 1 . . . A 18 TYR CD1 . 19288 1
102 . 1 1 18 18 TYR CE1 C 13 117.765 0.009 . 1 . . . A 18 TYR CE1 . 19288 1
103 . 1 1 18 18 TYR N N 15 121.850 0.019 . 1 . . . A 18 TYR N . 19288 1
104 . 1 1 19 19 CYS H H 1 7.999 0.006 . 1 . . . A 19 CYS H . 19288 1
105 . 1 1 19 19 CYS HA H 1 5.111 0.002 . 1 . . . A 19 CYS HA . 19288 1
106 . 1 1 19 19 CYS HB2 H 1 3.479 0.007 . 2 . . . A 19 CYS HB2 . 19288 1
107 . 1 1 19 19 CYS HB3 H 1 2.824 0.002 . 2 . . . A 19 CYS HB3 . 19288 1
108 . 1 1 19 19 CYS C C 13 176.019 0.000 . 1 . . . A 19 CYS C . 19288 1
109 . 1 1 19 19 CYS CA C 13 58.721 0.102 . 1 . . . A 19 CYS CA . 19288 1
110 . 1 1 19 19 CYS CB C 13 32.573 0.085 . 1 . . . A 19 CYS CB . 19288 1
111 . 1 1 19 19 CYS N N 15 116.138 0.072 . 1 . . . A 19 CYS N . 19288 1
112 . 1 1 20 20 ALA H H 1 8.067 0.005 . 1 . . . A 20 ALA H . 19288 1
113 . 1 1 20 20 ALA HA H 1 4.140 0.009 . 1 . . . A 20 ALA HA . 19288 1
114 . 1 1 20 20 ALA HB1 H 1 1.494 0.009 . 1 . . . A 20 ALA HB1 . 19288 1
115 . 1 1 20 20 ALA HB2 H 1 1.494 0.009 . 1 . . . A 20 ALA HB2 . 19288 1
116 . 1 1 20 20 ALA HB3 H 1 1.494 0.009 . 1 . . . A 20 ALA HB3 . 19288 1
117 . 1 1 20 20 ALA C C 13 177.014 0.000 . 1 . . . A 20 ALA C . 19288 1
118 . 1 1 20 20 ALA CA C 13 54.584 0.243 . 1 . . . A 20 ALA CA . 19288 1
119 . 1 1 20 20 ALA CB C 13 17.127 0.067 . 1 . . . A 20 ALA CB . 19288 1
120 . 1 1 20 20 ALA N N 15 122.058 0.063 . 1 . . . A 20 ALA N . 19288 1
121 . 1 1 21 21 ARG H H 1 7.947 0.011 . 1 . . . A 21 ARG H . 19288 1
122 . 1 1 21 21 ARG HA H 1 4.003 0.003 . 1 . . . A 21 ARG HA . 19288 1
123 . 1 1 21 21 ARG HB2 H 1 1.514 0.006 . 2 . . . A 21 ARG HB2 . 19288 1
124 . 1 1 21 21 ARG HB3 H 1 1.514 0.006 . 2 . . . A 21 ARG HB3 . 19288 1
125 . 1 1 21 21 ARG HG2 H 1 1.742 0.123 . 2 . . . A 21 ARG HG2 . 19288 1
126 . 1 1 21 21 ARG HG3 H 1 1.285 0.009 . 2 . . . A 21 ARG HG3 . 19288 1
127 . 1 1 21 21 ARG HD2 H 1 3.098 0.005 . 2 . . . A 21 ARG HD2 . 19288 1
128 . 1 1 21 21 ARG HD3 H 1 2.851 0.008 . 2 . . . A 21 ARG HD3 . 19288 1
129 . 1 1 21 21 ARG C C 13 175.133 0.000 . 1 . . . A 21 ARG C . 19288 1
130 . 1 1 21 21 ARG CA C 13 58.236 0.154 . 1 . . . A 21 ARG CA . 19288 1
131 . 1 1 21 21 ARG CB C 13 31.677 0.072 . 1 . . . A 21 ARG CB . 19288 1
132 . 1 1 21 21 ARG CG C 13 28.289 0.061 . 1 . . . A 21 ARG CG . 19288 1
133 . 1 1 21 21 ARG CD C 13 43.884 0.046 . 1 . . . A 21 ARG CD . 19288 1
134 . 1 1 21 21 ARG N N 15 121.286 0.031 . 1 . . . A 21 ARG N . 19288 1
135 . 1 1 22 22 ALA H H 1 7.968 0.005 . 1 . . . A 22 ALA H . 19288 1
136 . 1 1 22 22 ALA HA H 1 5.008 0.006 . 1 . . . A 22 ALA HA . 19288 1
137 . 1 1 22 22 ALA HB1 H 1 1.170 0.013 . 1 . . . A 22 ALA HB1 . 19288 1
138 . 1 1 22 22 ALA HB2 H 1 1.170 0.013 . 1 . . . A 22 ALA HB2 . 19288 1
139 . 1 1 22 22 ALA HB3 H 1 1.170 0.013 . 1 . . . A 22 ALA HB3 . 19288 1
140 . 1 1 22 22 ALA C C 13 175.750 0.000 . 1 . . . A 22 ALA C . 19288 1
141 . 1 1 22 22 ALA CA C 13 50.811 0.092 . 1 . . . A 22 ALA CA . 19288 1
142 . 1 1 22 22 ALA CB C 13 21.928 0.213 . 1 . . . A 22 ALA CB . 19288 1
143 . 1 1 22 22 ALA N N 15 123.966 0.054 . 1 . . . A 22 ALA N . 19288 1
144 . 1 1 23 23 PHE H H 1 9.004 0.011 . 1 . . . A 23 PHE H . 19288 1
145 . 1 1 23 23 PHE HA H 1 4.678 0.009 . 1 . . . A 23 PHE HA . 19288 1
146 . 1 1 23 23 PHE HB2 H 1 2.833 0.016 . 1 . . . A 23 PHE HB2 . 19288 1
147 . 1 1 23 23 PHE HB3 H 1 3.329 0.005 . 1 . . . A 23 PHE HB3 . 19288 1
148 . 1 1 23 23 PHE HD1 H 1 7.326 0.005 . 1 . . . A 23 PHE HD1 . 19288 1
149 . 1 1 23 23 PHE HD2 H 1 7.326 0.005 . 1 . . . A 23 PHE HD2 . 19288 1
150 . 1 1 23 23 PHE HE1 H 1 6.789 0.002 . 1 . . . A 23 PHE HE1 . 19288 1
151 . 1 1 23 23 PHE HE2 H 1 6.789 0.002 . 1 . . . A 23 PHE HE2 . 19288 1
152 . 1 1 23 23 PHE C C 13 173.852 0.000 . 1 . . . A 23 PHE C . 19288 1
153 . 1 1 23 23 PHE CA C 13 57.367 0.114 . 1 . . . A 23 PHE CA . 19288 1
154 . 1 1 23 23 PHE CB C 13 43.458 0.100 . 1 . . . A 23 PHE CB . 19288 1
155 . 1 1 23 23 PHE CD2 C 13 131.713 0.017 . 1 . . . A 23 PHE CD2 . 19288 1
156 . 1 1 23 23 PHE CE2 C 13 130.266 0.091 . 1 . . . A 23 PHE CE2 . 19288 1
157 . 1 1 23 23 PHE N N 15 118.728 0.030 . 1 . . . A 23 PHE N . 19288 1
158 . 1 1 24 24 LYS H H 1 9.211 0.004 . 1 . . . A 24 LYS H . 19288 1
159 . 1 1 24 24 LYS HA H 1 4.709 0.009 . 1 . . . A 24 LYS HA . 19288 1
160 . 1 1 24 24 LYS HB2 H 1 2.062 0.021 . 2 . . . A 24 LYS HB2 . 19288 1
161 . 1 1 24 24 LYS HB3 H 1 2.062 0.021 . 2 . . . A 24 LYS HB3 . 19288 1
162 . 1 1 24 24 LYS HG2 H 1 1.553 0.014 . 2 . . . A 24 LYS HG2 . 19288 1
163 . 1 1 24 24 LYS HG3 H 1 1.553 0.014 . 2 . . . A 24 LYS HG3 . 19288 1
164 . 1 1 24 24 LYS HD2 H 1 1.919 0.014 . 2 . . . A 24 LYS HD2 . 19288 1
165 . 1 1 24 24 LYS HD3 H 1 1.919 0.014 . 2 . . . A 24 LYS HD3 . 19288 1
166 . 1 1 24 24 LYS HE2 H 1 2.968 0.014 . 2 . . . A 24 LYS HE2 . 19288 1
167 . 1 1 24 24 LYS HE3 H 1 2.968 0.014 . 2 . . . A 24 LYS HE3 . 19288 1
168 . 1 1 24 24 LYS C C 13 176.934 0.000 . 1 . . . A 24 LYS C . 19288 1
169 . 1 1 24 24 LYS CA C 13 56.482 0.075 . 1 . . . A 24 LYS CA . 19288 1
170 . 1 1 24 24 LYS CB C 13 33.111 0.099 . 1 . . . A 24 LYS CB . 19288 1
171 . 1 1 24 24 LYS CG C 13 25.131 0.027 . 1 . . . A 24 LYS CG . 19288 1
172 . 1 1 24 24 LYS CE C 13 42.349 0.047 . 1 . . . A 24 LYS CE . 19288 1
173 . 1 1 24 24 LYS N N 15 119.176 0.060 . 1 . . . A 24 LYS N . 19288 1
174 . 1 1 25 25 SER H H 1 7.474 0.003 . 1 . . . A 25 SER H . 19288 1
175 . 1 1 25 25 SER HA H 1 4.566 0.003 . 1 . . . A 25 SER HA . 19288 1
176 . 1 1 25 25 SER HB2 H 1 4.085 0.009 . 2 . . . A 25 SER HB2 . 19288 1
177 . 1 1 25 25 SER HB3 H 1 3.846 0.009 . 2 . . . A 25 SER HB3 . 19288 1
178 . 1 1 25 25 SER C C 13 175.671 0.000 . 1 . . . A 25 SER C . 19288 1
179 . 1 1 25 25 SER CA C 13 55.683 0.025 . 1 . . . A 25 SER CA . 19288 1
180 . 1 1 25 25 SER CB C 13 66.490 0.155 . 1 . . . A 25 SER CB . 19288 1
181 . 1 1 25 25 SER N N 15 110.950 0.133 . 1 . . . A 25 SER N . 19288 1
182 . 1 1 26 26 SER H H 1 8.487 0.002 . 1 . . . A 26 SER H . 19288 1
183 . 1 1 26 26 SER C C 13 176.269 0.000 . 1 . . . A 26 SER C . 19288 1
184 . 1 1 26 26 SER CA C 13 60.616 0.000 . 1 . . . A 26 SER CA . 19288 1
185 . 1 1 26 26 SER CB C 13 61.758 0.000 . 1 . . . A 26 SER CB . 19288 1
186 . 1 1 26 26 SER N N 15 119.411 0.039 . 1 . . . A 26 SER N . 19288 1
187 . 1 1 27 27 HIS HA H 1 4.258 0.008 . 1 . . . A 27 HIS HA . 19288 1
188 . 1 1 27 27 HIS HB2 H 1 3.135 0.005 . 2 . . . A 27 HIS HB2 . 19288 1
189 . 1 1 27 27 HIS HB3 H 1 2.893 0.008 . 2 . . . A 27 HIS HB3 . 19288 1
190 . 1 1 27 27 HIS C C 13 173.658 0.000 . 1 . . . A 27 HIS C . 19288 1
191 . 1 1 27 27 HIS CA C 13 59.581 0.075 . 1 . . . A 27 HIS CA . 19288 1
192 . 1 1 27 27 HIS CB C 13 29.913 0.047 . 1 . . . A 27 HIS CB . 19288 1
193 . 1 1 28 28 ASN H H 1 7.681 0.008 . 1 . . . A 28 ASN H . 19288 1
194 . 1 1 28 28 ASN HA H 1 4.216 0.007 . 1 . . . A 28 ASN HA . 19288 1
195 . 1 1 28 28 ASN HB2 H 1 2.851 0.008 . 2 . . . A 28 ASN HB2 . 19288 1
196 . 1 1 28 28 ASN HB3 H 1 2.851 0.008 . 2 . . . A 28 ASN HB3 . 19288 1
197 . 1 1 28 28 ASN HD21 H 1 7.867 0.002 . 2 . . . A 28 ASN HD21 . 19288 1
198 . 1 1 28 28 ASN HD22 H 1 7.170 0.002 . 2 . . . A 28 ASN HD22 . 19288 1
199 . 1 1 28 28 ASN CA C 13 55.547 0.095 . 1 . . . A 28 ASN CA . 19288 1
200 . 1 1 28 28 ASN CB C 13 37.634 0.152 . 1 . . . A 28 ASN CB . 19288 1
201 . 1 1 28 28 ASN N N 15 117.126 0.047 . 1 . . . A 28 ASN N . 19288 1
202 . 1 1 28 28 ASN ND2 N 15 111.499 0.165 . 1 . . . A 28 ASN ND2 . 19288 1
203 . 1 1 29 29 LEU H H 1 7.300 0.024 . 1 . . . A 29 LEU H . 19288 1
204 . 1 1 29 29 LEU HA H 1 3.177 0.008 . 1 . . . A 29 LEU HA . 19288 1
205 . 1 1 29 29 LEU HB2 H 1 1.295 0.020 . 1 . . . A 29 LEU HB2 . 19288 1
206 . 1 1 29 29 LEU HB3 H 1 1.835 0.009 . 1 . . . A 29 LEU HB3 . 19288 1
207 . 1 1 29 29 LEU HG H 1 1.462 0.009 . 1 . . . A 29 LEU HG . 19288 1
208 . 1 1 29 29 LEU HD11 H 1 1.016 0.011 . 2 . . . A 29 LEU HD11 . 19288 1
209 . 1 1 29 29 LEU HD12 H 1 1.016 0.011 . 2 . . . A 29 LEU HD12 . 19288 1
210 . 1 1 29 29 LEU HD13 H 1 1.016 0.011 . 2 . . . A 29 LEU HD13 . 19288 1
211 . 1 1 29 29 LEU HD21 H 1 1.006 0.009 . 2 . . . A 29 LEU HD21 . 19288 1
212 . 1 1 29 29 LEU HD22 H 1 1.006 0.009 . 2 . . . A 29 LEU HD22 . 19288 1
213 . 1 1 29 29 LEU HD23 H 1 1.006 0.009 . 2 . . . A 29 LEU HD23 . 19288 1
214 . 1 1 29 29 LEU C C 13 176.205 0.000 . 1 . . . A 29 LEU C . 19288 1
215 . 1 1 29 29 LEU CA C 13 57.893 0.081 . 1 . . . A 29 LEU CA . 19288 1
216 . 1 1 29 29 LEU CB C 13 40.524 0.102 . 1 . . . A 29 LEU CB . 19288 1
217 . 1 1 29 29 LEU CG C 13 27.608 0.031 . 1 . . . A 29 LEU CG . 19288 1
218 . 1 1 29 29 LEU CD1 C 13 27.073 0.156 . 1 . . . A 29 LEU CD1 . 19288 1
219 . 1 1 29 29 LEU CD2 C 13 22.593 0.034 . 1 . . . A 29 LEU CD2 . 19288 1
220 . 1 1 29 29 LEU N N 15 121.121 0.105 . 1 . . . A 29 LEU N . 19288 1
221 . 1 1 30 30 ALA H H 1 7.987 0.006 . 1 . . . A 30 ALA H . 19288 1
222 . 1 1 30 30 ALA HA H 1 3.917 0.013 . 1 . . . A 30 ALA HA . 19288 1
223 . 1 1 30 30 ALA HB1 H 1 1.407 0.008 . 1 . . . A 30 ALA HB1 . 19288 1
224 . 1 1 30 30 ALA HB2 H 1 1.407 0.008 . 1 . . . A 30 ALA HB2 . 19288 1
225 . 1 1 30 30 ALA HB3 H 1 1.407 0.008 . 1 . . . A 30 ALA HB3 . 19288 1
226 . 1 1 30 30 ALA C C 13 178.363 0.000 . 1 . . . A 30 ALA C . 19288 1
227 . 1 1 30 30 ALA CA C 13 55.487 0.079 . 1 . . . A 30 ALA CA . 19288 1
228 . 1 1 30 30 ALA CB C 13 17.947 0.131 . 1 . . . A 30 ALA CB . 19288 1
229 . 1 1 30 30 ALA N N 15 122.058 0.071 . 1 . . . A 30 ALA N . 19288 1
230 . 1 1 31 31 VAL H H 1 7.636 0.010 . 1 . . . A 31 VAL H . 19288 1
231 . 1 1 31 31 VAL HA H 1 3.556 0.005 . 1 . . . A 31 VAL HA . 19288 1
232 . 1 1 31 31 VAL HB H 1 1.788 0.004 . 1 . . . A 31 VAL HB . 19288 1
233 . 1 1 31 31 VAL HG11 H 1 0.767 0.000 . 2 . . . A 31 VAL HG11 . 19288 1
234 . 1 1 31 31 VAL HG12 H 1 0.767 0.000 . 2 . . . A 31 VAL HG12 . 19288 1
235 . 1 1 31 31 VAL HG13 H 1 0.767 0.000 . 2 . . . A 31 VAL HG13 . 19288 1
236 . 1 1 31 31 VAL HG21 H 1 0.767 0.000 . 2 . . . A 31 VAL HG21 . 19288 1
237 . 1 1 31 31 VAL HG22 H 1 0.767 0.000 . 2 . . . A 31 VAL HG22 . 19288 1
238 . 1 1 31 31 VAL HG23 H 1 0.767 0.000 . 2 . . . A 31 VAL HG23 . 19288 1
239 . 1 1 31 31 VAL C C 13 176.352 0.000 . 1 . . . A 31 VAL C . 19288 1
240 . 1 1 31 31 VAL CA C 13 65.936 0.136 . 1 . . . A 31 VAL CA . 19288 1
241 . 1 1 31 31 VAL CB C 13 32.281 0.065 . 1 . . . A 31 VAL CB . 19288 1
242 . 1 1 31 31 VAL CG1 C 13 22.146 0.073 . 1 . . . A 31 VAL CG1 . 19288 1
243 . 1 1 31 31 VAL CG2 C 13 21.277 0.065 . 1 . . . A 31 VAL CG2 . 19288 1
244 . 1 1 31 31 VAL N N 15 116.442 0.095 . 1 . . . A 31 VAL N . 19288 1
245 . 1 1 32 32 HIS H H 1 7.364 0.012 . 1 . . . A 32 HIS H . 19288 1
246 . 1 1 32 32 HIS HA H 1 4.125 0.027 . 1 . . . A 32 HIS HA . 19288 1
247 . 1 1 32 32 HIS HB2 H 1 2.799 0.047 . 2 . . . A 32 HIS HB2 . 19288 1
248 . 1 1 32 32 HIS HB3 H 1 2.799 0.047 . 2 . . . A 32 HIS HB3 . 19288 1
249 . 1 1 32 32 HIS HD2 H 1 6.915 0.026 . 1 . . . A 32 HIS HD2 . 19288 1
250 . 1 1 32 32 HIS C C 13 180.696 0.000 . 1 . . . A 32 HIS C . 19288 1
251 . 1 1 32 32 HIS CA C 13 59.377 0.079 . 1 . . . A 32 HIS CA . 19288 1
252 . 1 1 32 32 HIS CB C 13 28.332 0.028 . 1 . . . A 32 HIS CB . 19288 1
253 . 1 1 32 32 HIS CD2 C 13 127.179 0.005 . 1 . . . A 32 HIS CD2 . 19288 1
254 . 1 1 32 32 HIS N N 15 119.885 0.067 . 1 . . . A 32 HIS N . 19288 1
255 . 1 1 33 33 ARG H H 1 8.633 0.008 . 1 . . . A 33 ARG H . 19288 1
256 . 1 1 33 33 ARG HA H 1 3.658 0.007 . 1 . . . A 33 ARG HA . 19288 1
257 . 1 1 33 33 ARG HB2 H 1 2.009 0.011 . 2 . . . A 33 ARG HB2 . 19288 1
258 . 1 1 33 33 ARG HB3 H 1 2.009 0.011 . 2 . . . A 33 ARG HB3 . 19288 1
259 . 1 1 33 33 ARG HG2 H 1 2.055 0.007 . 2 . . . A 33 ARG HG2 . 19288 1
260 . 1 1 33 33 ARG HG3 H 1 2.055 0.007 . 2 . . . A 33 ARG HG3 . 19288 1
261 . 1 1 33 33 ARG HD2 H 1 3.392 0.007 . 2 . . . A 33 ARG HD2 . 19288 1
262 . 1 1 33 33 ARG HD3 H 1 3.392 0.007 . 2 . . . A 33 ARG HD3 . 19288 1
263 . 1 1 33 33 ARG C C 13 178.735 0.000 . 1 . . . A 33 ARG C . 19288 1
264 . 1 1 33 33 ARG CA C 13 60.012 0.094 . 1 . . . A 33 ARG CA . 19288 1
265 . 1 1 33 33 ARG CB C 13 31.144 0.107 . 1 . . . A 33 ARG CB . 19288 1
266 . 1 1 33 33 ARG CG C 13 30.041 0.069 . 1 . . . A 33 ARG CG . 19288 1
267 . 1 1 33 33 ARG CD C 13 44.212 0.026 . 1 . . . A 33 ARG CD . 19288 1
268 . 1 1 33 33 ARG N N 15 115.795 0.128 . 1 . . . A 33 ARG N . 19288 1
269 . 1 1 34 34 MET H H 1 7.057 0.010 . 1 . . . A 34 MET H . 19288 1
270 . 1 1 34 34 MET HA H 1 4.211 0.007 . 1 . . . A 34 MET HA . 19288 1
271 . 1 1 34 34 MET HB2 H 1 2.803 0.008 . 2 . . . A 34 MET HB2 . 19288 1
272 . 1 1 34 34 MET HB3 H 1 2.523 0.020 . 2 . . . A 34 MET HB3 . 19288 1
273 . 1 1 34 34 MET HG2 H 1 2.039 0.009 . 2 . . . A 34 MET HG2 . 19288 1
274 . 1 1 34 34 MET HG3 H 1 2.039 0.009 . 2 . . . A 34 MET HG3 . 19288 1
275 . 1 1 34 34 MET C C 13 176.427 0.000 . 1 . . . A 34 MET C . 19288 1
276 . 1 1 34 34 MET CA C 13 57.866 0.144 . 1 . . . A 34 MET CA . 19288 1
277 . 1 1 34 34 MET CB C 13 32.221 0.068 . 1 . . . A 34 MET CB . 19288 1
278 . 1 1 34 34 MET CG C 13 32.448 0.019 . 1 . . . A 34 MET CG . 19288 1
279 . 1 1 34 34 MET N N 15 115.672 0.079 . 1 . . . A 34 MET N . 19288 1
280 . 1 1 35 35 ILE H H 1 7.811 0.010 . 1 . . . A 35 ILE H . 19288 1
281 . 1 1 35 35 ILE HA H 1 3.904 0.008 . 1 . . . A 35 ILE HA . 19288 1
282 . 1 1 35 35 ILE HB H 1 1.604 0.010 . 1 . . . A 35 ILE HB . 19288 1
283 . 1 1 35 35 ILE HG12 H 1 0.821 0.012 . 2 . . . A 35 ILE HG12 . 19288 1
284 . 1 1 35 35 ILE HG13 H 1 0.523 0.013 . 2 . . . A 35 ILE HG13 . 19288 1
285 . 1 1 35 35 ILE HG21 H 1 0.521 0.004 . 1 . . . A 35 ILE HG21 . 19288 1
286 . 1 1 35 35 ILE HG22 H 1 0.521 0.004 . 1 . . . A 35 ILE HG22 . 19288 1
287 . 1 1 35 35 ILE HG23 H 1 0.521 0.004 . 1 . . . A 35 ILE HG23 . 19288 1
288 . 1 1 35 35 ILE HD11 H 1 0.609 0.021 . 1 . . . A 35 ILE HD11 . 19288 1
289 . 1 1 35 35 ILE HD12 H 1 0.609 0.021 . 1 . . . A 35 ILE HD12 . 19288 1
290 . 1 1 35 35 ILE HD13 H 1 0.609 0.021 . 1 . . . A 35 ILE HD13 . 19288 1
291 . 1 1 35 35 ILE C C 13 177.504 0.000 . 1 . . . A 35 ILE C . 19288 1
292 . 1 1 35 35 ILE CA C 13 63.402 0.113 . 1 . . . A 35 ILE CA . 19288 1
293 . 1 1 35 35 ILE CB C 13 37.724 0.085 . 1 . . . A 35 ILE CB . 19288 1
294 . 1 1 35 35 ILE CG1 C 13 26.376 0.056 . 1 . . . A 35 ILE CG1 . 19288 1
295 . 1 1 35 35 ILE CG2 C 13 16.480 0.067 . 1 . . . A 35 ILE CG2 . 19288 1
296 . 1 1 35 35 ILE CD1 C 13 14.672 0.062 . 1 . . . A 35 ILE CD1 . 19288 1
297 . 1 1 35 35 ILE N N 15 116.381 0.128 . 1 . . . A 35 ILE N . 19288 1
298 . 1 1 36 36 HIS H H 1 7.247 0.006 . 1 . . . A 36 HIS H . 19288 1
299 . 1 1 36 36 HIS HA H 1 4.481 0.062 . 1 . . . A 36 HIS HA . 19288 1
300 . 1 1 36 36 HIS HB2 H 1 2.388 0.011 . 2 . . . A 36 HIS HB2 . 19288 1
301 . 1 1 36 36 HIS HB3 H 1 2.129 0.008 . 2 . . . A 36 HIS HB3 . 19288 1
302 . 1 1 36 36 HIS HD2 H 1 6.586 0.003 . 1 . . . A 36 HIS HD2 . 19288 1
303 . 1 1 36 36 HIS C C 13 178.413 0.000 . 1 . . . A 36 HIS C . 19288 1
304 . 1 1 36 36 HIS CA C 13 55.260 0.103 . 1 . . . A 36 HIS CA . 19288 1
305 . 1 1 36 36 HIS CB C 13 28.066 0.056 . 1 . . . A 36 HIS CB . 19288 1
306 . 1 1 36 36 HIS CD2 C 13 128.465 0.014 . 1 . . . A 36 HIS CD2 . 19288 1
307 . 1 1 36 36 HIS N N 15 117.423 0.108 . 1 . . . A 36 HIS N . 19288 1
308 . 1 1 37 37 THR H H 1 7.553 0.007 . 1 . . . A 37 THR H . 19288 1
309 . 1 1 37 37 THR HA H 1 4.160 0.014 . 1 . . . A 37 THR HA . 19288 1
310 . 1 1 37 37 THR HB H 1 4.249 0.024 . 1 . . . A 37 THR HB . 19288 1
311 . 1 1 37 37 THR HG21 H 1 1.161 0.007 . 1 . . . A 37 THR HG21 . 19288 1
312 . 1 1 37 37 THR HG22 H 1 1.161 0.007 . 1 . . . A 37 THR HG22 . 19288 1
313 . 1 1 37 37 THR HG23 H 1 1.161 0.007 . 1 . . . A 37 THR HG23 . 19288 1
314 . 1 1 37 37 THR C C 13 177.179 0.000 . 1 . . . A 37 THR C . 19288 1
315 . 1 1 37 37 THR CA C 13 62.791 0.209 . 1 . . . A 37 THR CA . 19288 1
316 . 1 1 37 37 THR CB C 13 69.712 0.161 . 1 . . . A 37 THR CB . 19288 1
317 . 1 1 37 37 THR CG2 C 13 21.237 0.151 . 1 . . . A 37 THR CG2 . 19288 1
318 . 1 1 37 37 THR N N 15 110.804 0.087 . 1 . . . A 37 THR N . 19288 1
319 . 1 1 38 38 GLY H H 1 8.195 0.002 . 1 . . . A 38 GLY H . 19288 1
320 . 1 1 38 38 GLY HA2 H 1 3.948 0.006 . 2 . . . A 38 GLY HA2 . 19288 1
321 . 1 1 38 38 GLY HA3 H 1 3.948 0.006 . 2 . . . A 38 GLY HA3 . 19288 1
322 . 1 1 38 38 GLY C C 13 175.821 0.000 . 1 . . . A 38 GLY C . 19288 1
323 . 1 1 38 38 GLY CA C 13 45.403 0.083 . 1 . . . A 38 GLY CA . 19288 1
324 . 1 1 38 38 GLY N N 15 110.842 0.091 . 1 . . . A 38 GLY N . 19288 1
325 . 1 1 39 39 GLU H H 1 7.953 0.003 . 1 . . . A 39 GLU H . 19288 1
326 . 1 1 39 39 GLU HA H 1 4.238 0.017 . 1 . . . A 39 GLU HA . 19288 1
327 . 1 1 39 39 GLU HB2 H 1 1.910 0.036 . 2 . . . A 39 GLU HB2 . 19288 1
328 . 1 1 39 39 GLU HB3 H 1 1.910 0.036 . 2 . . . A 39 GLU HB3 . 19288 1
329 . 1 1 39 39 GLU HG2 H 1 2.201 0.016 . 2 . . . A 39 GLU HG2 . 19288 1
330 . 1 1 39 39 GLU HG3 H 1 2.201 0.016 . 2 . . . A 39 GLU HG3 . 19288 1
331 . 1 1 39 39 GLU C C 13 175.390 0.000 . 1 . . . A 39 GLU C . 19288 1
332 . 1 1 39 39 GLU CA C 13 56.572 0.095 . 1 . . . A 39 GLU CA . 19288 1
333 . 1 1 39 39 GLU CB C 13 30.746 0.091 . 1 . . . A 39 GLU CB . 19288 1
334 . 1 1 39 39 GLU CG C 13 36.586 0.050 . 1 . . . A 39 GLU CG . 19288 1
335 . 1 1 39 39 GLU N N 15 120.441 0.037 . 1 . . . A 39 GLU N . 19288 1
336 . 1 1 40 40 LYS H H 1 8.321 0.013 . 1 . . . A 40 LYS H . 19288 1
337 . 1 1 40 40 LYS HA H 1 4.534 0.001 . 1 . . . A 40 LYS HA . 19288 1
338 . 1 1 40 40 LYS HB2 H 1 1.734 0.003 . 2 . . . A 40 LYS HB2 . 19288 1
339 . 1 1 40 40 LYS HB3 H 1 1.734 0.003 . 2 . . . A 40 LYS HB3 . 19288 1
340 . 1 1 40 40 LYS HG2 H 1 1.424 0.006 . 2 . . . A 40 LYS HG2 . 19288 1
341 . 1 1 40 40 LYS HG3 H 1 1.424 0.006 . 2 . . . A 40 LYS HG3 . 19288 1
342 . 1 1 40 40 LYS HD2 H 1 1.636 0.002 . 2 . . . A 40 LYS HD2 . 19288 1
343 . 1 1 40 40 LYS HD3 H 1 1.636 0.002 . 2 . . . A 40 LYS HD3 . 19288 1
344 . 1 1 40 40 LYS HE2 H 1 2.963 0.005 . 2 . . . A 40 LYS HE2 . 19288 1
345 . 1 1 40 40 LYS HE3 H 1 2.963 0.005 . 2 . . . A 40 LYS HE3 . 19288 1
346 . 1 1 40 40 LYS C C 13 174.124 0.000 . 1 . . . A 40 LYS C . 19288 1
347 . 1 1 40 40 LYS CA C 13 54.236 0.100 . 1 . . . A 40 LYS CA . 19288 1
348 . 1 1 40 40 LYS CB C 13 32.769 0.056 . 1 . . . A 40 LYS CB . 19288 1
349 . 1 1 40 40 LYS CG C 13 24.535 0.054 . 1 . . . A 40 LYS CG . 19288 1
350 . 1 1 40 40 LYS CD C 13 29.262 0.000 . 1 . . . A 40 LYS CD . 19288 1
351 . 1 1 40 40 LYS CE C 13 42.635 0.000 . 1 . . . A 40 LYS CE . 19288 1
352 . 1 1 40 40 LYS N N 15 123.624 0.039 . 1 . . . A 40 LYS N . 19288 1
353 . 1 1 41 41 PRO HA H 1 4.404 0.005 . 1 . . . A 41 PRO HA . 19288 1
354 . 1 1 41 41 PRO HB2 H 1 1.815 0.013 . 1 . . . A 41 PRO HB2 . 19288 1
355 . 1 1 41 41 PRO HB3 H 1 2.046 0.018 . 1 . . . A 41 PRO HB3 . 19288 1
356 . 1 1 41 41 PRO HG2 H 1 1.879 0.012 . 2 . . . A 41 PRO HG2 . 19288 1
357 . 1 1 41 41 PRO HG3 H 1 1.879 0.012 . 2 . . . A 41 PRO HG3 . 19288 1
358 . 1 1 41 41 PRO HD2 H 1 3.715 0.016 . 2 . . . A 41 PRO HD2 . 19288 1
359 . 1 1 41 41 PRO HD3 H 1 3.577 0.012 . 2 . . . A 41 PRO HD3 . 19288 1
360 . 1 1 41 41 PRO C C 13 176.103 0.000 . 1 . . . A 41 PRO C . 19288 1
361 . 1 1 41 41 PRO CA C 13 63.174 0.127 . 1 . . . A 41 PRO CA . 19288 1
362 . 1 1 41 41 PRO CB C 13 32.306 0.107 . 1 . . . A 41 PRO CB . 19288 1
363 . 1 1 41 41 PRO CG C 13 27.267 0.054 . 1 . . . A 41 PRO CG . 19288 1
364 . 1 1 41 41 PRO CD C 13 50.715 0.027 . 1 . . . A 41 PRO CD . 19288 1
365 . 1 1 42 42 LEU H H 1 8.293 0.003 . 1 . . . A 42 LEU H . 19288 1
366 . 1 1 42 42 LEU HA H 1 4.381 0.005 . 1 . . . A 42 LEU HA . 19288 1
367 . 1 1 42 42 LEU HB2 H 1 1.804 0.007 . 1 . . . A 42 LEU HB2 . 19288 1
368 . 1 1 42 42 LEU HB3 H 1 1.323 0.011 . 1 . . . A 42 LEU HB3 . 19288 1
369 . 1 1 42 42 LEU HG H 1 1.633 0.005 . 1 . . . A 42 LEU HG . 19288 1
370 . 1 1 42 42 LEU HD11 H 1 0.690 0.000 . 2 . . . A 42 LEU HD11 . 19288 1
371 . 1 1 42 42 LEU HD12 H 1 0.690 0.000 . 2 . . . A 42 LEU HD12 . 19288 1
372 . 1 1 42 42 LEU HD13 H 1 0.690 0.000 . 2 . . . A 42 LEU HD13 . 19288 1
373 . 1 1 42 42 LEU HD21 H 1 0.690 0.000 . 2 . . . A 42 LEU HD21 . 19288 1
374 . 1 1 42 42 LEU HD22 H 1 0.690 0.000 . 2 . . . A 42 LEU HD22 . 19288 1
375 . 1 1 42 42 LEU HD23 H 1 0.690 0.000 . 2 . . . A 42 LEU HD23 . 19288 1
376 . 1 1 42 42 LEU CA C 13 54.626 0.085 . 1 . . . A 42 LEU CA . 19288 1
377 . 1 1 42 42 LEU CB C 13 42.719 0.086 . 1 . . . A 42 LEU CB . 19288 1
378 . 1 1 42 42 LEU CG C 13 27.292 0.200 . 1 . . . A 42 LEU CG . 19288 1
379 . 1 1 42 42 LEU CD1 C 13 25.771 0.038 . 1 . . . A 42 LEU CD1 . 19288 1
380 . 1 1 42 42 LEU CD2 C 13 23.217 0.047 . 1 . . . A 42 LEU CD2 . 19288 1
381 . 1 1 42 42 LEU N N 15 122.177 0.024 . 1 . . . A 42 LEU N . 19288 1
382 . 1 1 43 43 GLN H H 1 8.180 0.003 . 1 . . . A 43 GLN H . 19288 1
383 . 1 1 43 43 GLN HA H 1 5.181 0.007 . 1 . . . A 43 GLN HA . 19288 1
384 . 1 1 43 43 GLN HB2 H 1 1.741 0.000 . 2 . . . A 43 GLN HB2 . 19288 1
385 . 1 1 43 43 GLN HB3 H 1 1.741 0.000 . 2 . . . A 43 GLN HB3 . 19288 1
386 . 1 1 43 43 GLN HG2 H 1 2.019 0.008 . 2 . . . A 43 GLN HG2 . 19288 1
387 . 1 1 43 43 GLN HG3 H 1 2.019 0.008 . 2 . . . A 43 GLN HG3 . 19288 1
388 . 1 1 43 43 GLN HE21 H 1 7.447 0.000 . 2 . . . A 43 GLN HE21 . 19288 1
389 . 1 1 43 43 GLN HE22 H 1 6.736 0.004 . 2 . . . A 43 GLN HE22 . 19288 1
390 . 1 1 43 43 GLN C C 13 176.325 0.000 . 1 . . . A 43 GLN C . 19288 1
391 . 1 1 43 43 GLN CA C 13 53.898 0.085 . 1 . . . A 43 GLN CA . 19288 1
392 . 1 1 43 43 GLN CB C 13 32.969 0.134 . 1 . . . A 43 GLN CB . 19288 1
393 . 1 1 43 43 GLN CG C 13 33.935 0.130 . 1 . . . A 43 GLN CG . 19288 1
394 . 1 1 43 43 GLN N N 15 119.188 0.058 . 1 . . . A 43 GLN N . 19288 1
395 . 1 1 43 43 GLN NE2 N 15 111.578 0.081 . 1 . . . A 43 GLN NE2 . 19288 1
396 . 1 1 44 44 CYS H H 1 9.299 0.008 . 1 . . . A 44 CYS H . 19288 1
397 . 1 1 44 44 CYS HA H 1 4.453 0.025 . 1 . . . A 44 CYS HA . 19288 1
398 . 1 1 44 44 CYS HB2 H 1 3.352 0.008 . 2 . . . A 44 CYS HB2 . 19288 1
399 . 1 1 44 44 CYS HB3 H 1 2.839 0.014 . 2 . . . A 44 CYS HB3 . 19288 1
400 . 1 1 44 44 CYS C C 13 175.677 0.000 . 1 . . . A 44 CYS C . 19288 1
401 . 1 1 44 44 CYS CA C 13 59.437 0.203 . 1 . . . A 44 CYS CA . 19288 1
402 . 1 1 44 44 CYS CB C 13 30.721 0.123 . 1 . . . A 44 CYS CB . 19288 1
403 . 1 1 44 44 CYS N N 15 127.346 0.079 . 1 . . . A 44 CYS N . 19288 1
404 . 1 1 45 45 GLU H H 1 9.602 0.006 . 1 . . . A 45 GLU H . 19288 1
405 . 1 1 45 45 GLU HA H 1 4.178 0.004 . 1 . . . A 45 GLU HA . 19288 1
406 . 1 1 45 45 GLU HB2 H 1 2.160 0.003 . 2 . . . A 45 GLU HB2 . 19288 1
407 . 1 1 45 45 GLU HB3 H 1 2.160 0.003 . 2 . . . A 45 GLU HB3 . 19288 1
408 . 1 1 45 45 GLU HG2 H 1 2.341 0.007 . 2 . . . A 45 GLU HG2 . 19288 1
409 . 1 1 45 45 GLU HG3 H 1 2.341 0.007 . 2 . . . A 45 GLU HG3 . 19288 1
410 . 1 1 45 45 GLU C C 13 174.655 0.000 . 1 . . . A 45 GLU C . 19288 1
411 . 1 1 45 45 GLU CA C 13 58.342 0.100 . 1 . . . A 45 GLU CA . 19288 1
412 . 1 1 45 45 GLU CB C 13 29.819 0.116 . 1 . . . A 45 GLU CB . 19288 1
413 . 1 1 45 45 GLU CG C 13 36.550 0.000 . 1 . . . A 45 GLU CG . 19288 1
414 . 1 1 45 45 GLU N N 15 131.846 0.075 . 1 . . . A 45 GLU N . 19288 1
415 . 1 1 46 46 ILE H H 1 8.973 0.003 . 1 . . . A 46 ILE H . 19288 1
416 . 1 1 46 46 ILE HA H 1 3.840 0.009 . 1 . . . A 46 ILE HA . 19288 1
417 . 1 1 46 46 ILE HB H 1 1.113 0.009 . 1 . . . A 46 ILE HB . 19288 1
418 . 1 1 46 46 ILE HG12 H 1 1.257 0.008 . 2 . . . A 46 ILE HG12 . 19288 1
419 . 1 1 46 46 ILE HG13 H 1 0.921 0.015 . 2 . . . A 46 ILE HG13 . 19288 1
420 . 1 1 46 46 ILE HG21 H 1 0.275 0.013 . 1 . . . A 46 ILE HG21 . 19288 1
421 . 1 1 46 46 ILE HG22 H 1 0.275 0.013 . 1 . . . A 46 ILE HG22 . 19288 1
422 . 1 1 46 46 ILE HG23 H 1 0.275 0.013 . 1 . . . A 46 ILE HG23 . 19288 1
423 . 1 1 46 46 ILE HD11 H 1 0.486 0.006 . 1 . . . A 46 ILE HD11 . 19288 1
424 . 1 1 46 46 ILE HD12 H 1 0.486 0.006 . 1 . . . A 46 ILE HD12 . 19288 1
425 . 1 1 46 46 ILE HD13 H 1 0.486 0.006 . 1 . . . A 46 ILE HD13 . 19288 1
426 . 1 1 46 46 ILE C C 13 177.404 0.000 . 1 . . . A 46 ILE C . 19288 1
427 . 1 1 46 46 ILE CA C 13 63.494 0.112 . 1 . . . A 46 ILE CA . 19288 1
428 . 1 1 46 46 ILE CB C 13 38.461 0.110 . 1 . . . A 46 ILE CB . 19288 1
429 . 1 1 46 46 ILE CG1 C 13 28.109 0.077 . 1 . . . A 46 ILE CG1 . 19288 1
430 . 1 1 46 46 ILE CG2 C 13 16.876 0.099 . 1 . . . A 46 ILE CG2 . 19288 1
431 . 1 1 46 46 ILE CD1 C 13 12.345 0.087 . 1 . . . A 46 ILE CD1 . 19288 1
432 . 1 1 46 46 ILE N N 15 121.898 0.021 . 1 . . . A 46 ILE N . 19288 1
433 . 1 1 47 47 CYS H H 1 8.432 0.009 . 1 . . . A 47 CYS H . 19288 1
434 . 1 1 47 47 CYS HA H 1 5.231 0.007 . 1 . . . A 47 CYS HA . 19288 1
435 . 1 1 47 47 CYS HB2 H 1 3.495 0.011 . 2 . . . A 47 CYS HB2 . 19288 1
436 . 1 1 47 47 CYS HB3 H 1 2.716 0.021 . 2 . . . A 47 CYS HB3 . 19288 1
437 . 1 1 47 47 CYS C C 13 176.087 0.000 . 1 . . . A 47 CYS C . 19288 1
438 . 1 1 47 47 CYS CA C 13 58.455 0.095 . 1 . . . A 47 CYS CA . 19288 1
439 . 1 1 47 47 CYS CB C 13 33.590 0.086 . 1 . . . A 47 CYS CB . 19288 1
440 . 1 1 47 47 CYS N N 15 117.274 0.089 . 1 . . . A 47 CYS N . 19288 1
441 . 1 1 48 48 GLY H H 1 8.016 0.009 . 1 . . . A 48 GLY H . 19288 1
442 . 1 1 48 48 GLY HA2 H 1 3.745 0.014 . 1 . . . A 48 GLY HA2 . 19288 1
443 . 1 1 48 48 GLY HA3 H 1 4.269 0.011 . 1 . . . A 48 GLY HA3 . 19288 1
444 . 1 1 48 48 GLY C C 13 177.177 0.000 . 1 . . . A 48 GLY C . 19288 1
445 . 1 1 48 48 GLY CA C 13 46.253 0.097 . 1 . . . A 48 GLY CA . 19288 1
446 . 1 1 48 48 GLY N N 15 112.655 0.148 . 1 . . . A 48 GLY N . 19288 1
447 . 1 1 49 49 PHE H H 1 8.333 0.007 . 1 . . . A 49 PHE H . 19288 1
448 . 1 1 49 49 PHE HA H 1 4.272 0.022 . 1 . . . A 49 PHE HA . 19288 1
449 . 1 1 49 49 PHE HB2 H 1 3.048 0.009 . 2 . . . A 49 PHE HB2 . 19288 1
450 . 1 1 49 49 PHE HB3 H 1 1.997 0.031 . 2 . . . A 49 PHE HB3 . 19288 1
451 . 1 1 49 49 PHE HD1 H 1 6.647 0.007 . 1 . . . A 49 PHE HD1 . 19288 1
452 . 1 1 49 49 PHE HD2 H 1 6.647 0.007 . 1 . . . A 49 PHE HD2 . 19288 1
453 . 1 1 49 49 PHE C C 13 176.313 0.000 . 1 . . . A 49 PHE C . 19288 1
454 . 1 1 49 49 PHE CA C 13 59.750 0.084 . 1 . . . A 49 PHE CA . 19288 1
455 . 1 1 49 49 PHE CB C 13 41.278 0.154 . 1 . . . A 49 PHE CB . 19288 1
456 . 1 1 49 49 PHE CD2 C 13 131.094 0.023 . 1 . . . A 49 PHE CD2 . 19288 1
457 . 1 1 49 49 PHE N N 15 125.000 0.029 . 1 . . . A 49 PHE N . 19288 1
458 . 1 1 50 50 THR H H 1 7.336 0.013 . 1 . . . A 50 THR H . 19288 1
459 . 1 1 50 50 THR HA H 1 5.150 0.012 . 1 . . . A 50 THR HA . 19288 1
460 . 1 1 50 50 THR HB H 1 3.849 0.007 . 1 . . . A 50 THR HB . 19288 1
461 . 1 1 50 50 THR HG21 H 1 1.064 0.011 . 1 . . . A 50 THR HG21 . 19288 1
462 . 1 1 50 50 THR HG22 H 1 1.064 0.011 . 1 . . . A 50 THR HG22 . 19288 1
463 . 1 1 50 50 THR HG23 H 1 1.064 0.011 . 1 . . . A 50 THR HG23 . 19288 1
464 . 1 1 50 50 THR C C 13 173.480 0.000 . 1 . . . A 50 THR C . 19288 1
465 . 1 1 50 50 THR CA C 13 59.186 0.087 . 1 . . . A 50 THR CA . 19288 1
466 . 1 1 50 50 THR CB C 13 71.954 0.116 . 1 . . . A 50 THR CB . 19288 1
467 . 1 1 50 50 THR CG2 C 13 21.318 0.153 . 1 . . . A 50 THR CG2 . 19288 1
468 . 1 1 50 50 THR N N 15 118.297 0.064 . 1 . . . A 50 THR N . 19288 1
469 . 1 1 51 51 CYS H H 1 8.318 0.004 . 1 . . . A 51 CYS H . 19288 1
470 . 1 1 51 51 CYS HA H 1 4.540 0.005 . 1 . . . A 51 CYS HA . 19288 1
471 . 1 1 51 51 CYS HB2 H 1 2.983 0.002 . 2 . . . A 51 CYS HB2 . 19288 1
472 . 1 1 51 51 CYS HB3 H 1 2.983 0.002 . 2 . . . A 51 CYS HB3 . 19288 1
473 . 1 1 51 51 CYS C C 13 173.381 0.000 . 1 . . . A 51 CYS C . 19288 1
474 . 1 1 51 51 CYS CA C 13 56.305 0.011 . 1 . . . A 51 CYS CA . 19288 1
475 . 1 1 51 51 CYS CB C 13 30.578 0.194 . 1 . . . A 51 CYS CB . 19288 1
476 . 1 1 51 51 CYS N N 15 115.101 0.062 . 1 . . . A 51 CYS N . 19288 1
477 . 1 1 52 52 ARG HA H 1 4.566 0.007 . 1 . . . A 52 ARG HA . 19288 1
478 . 1 1 52 52 ARG HB2 H 1 1.972 0.006 . 2 . . . A 52 ARG HB2 . 19288 1
479 . 1 1 52 52 ARG HB3 H 1 1.729 0.007 . 2 . . . A 52 ARG HB3 . 19288 1
480 . 1 1 52 52 ARG HG2 H 1 1.592 0.021 . 2 . . . A 52 ARG HG2 . 19288 1
481 . 1 1 52 52 ARG HG3 H 1 1.592 0.021 . 2 . . . A 52 ARG HG3 . 19288 1
482 . 1 1 52 52 ARG HD2 H 1 3.128 0.010 . 2 . . . A 52 ARG HD2 . 19288 1
483 . 1 1 52 52 ARG HD3 H 1 3.128 0.010 . 2 . . . A 52 ARG HD3 . 19288 1
484 . 1 1 52 52 ARG C C 13 172.494 0.000 . 1 . . . A 52 ARG C . 19288 1
485 . 1 1 52 52 ARG CA C 13 56.923 0.103 . 1 . . . A 52 ARG CA . 19288 1
486 . 1 1 52 52 ARG CB C 13 31.891 0.044 . 1 . . . A 52 ARG CB . 19288 1
487 . 1 1 52 52 ARG CG C 13 27.828 0.047 . 1 . . . A 52 ARG CG . 19288 1
488 . 1 1 52 52 ARG CD C 13 43.260 0.156 . 1 . . . A 52 ARG CD . 19288 1
489 . 1 1 53 53 GLN H H 1 7.649 0.007 . 1 . . . A 53 GLN H . 19288 1
490 . 1 1 53 53 GLN HA H 1 4.719 0.019 . 1 . . . A 53 GLN HA . 19288 1
491 . 1 1 53 53 GLN HB2 H 1 2.150 0.000 . 2 . . . A 53 GLN HB2 . 19288 1
492 . 1 1 53 53 GLN HB3 H 1 2.150 0.000 . 2 . . . A 53 GLN HB3 . 19288 1
493 . 1 1 53 53 GLN HG2 H 1 2.404 0.006 . 2 . . . A 53 GLN HG2 . 19288 1
494 . 1 1 53 53 GLN HG3 H 1 2.404 0.006 . 2 . . . A 53 GLN HG3 . 19288 1
495 . 1 1 53 53 GLN HE21 H 1 7.522 0.000 . 2 . . . A 53 GLN HE21 . 19288 1
496 . 1 1 53 53 GLN HE22 H 1 6.913 0.003 . 2 . . . A 53 GLN HE22 . 19288 1
497 . 1 1 53 53 GLN CA C 13 54.637 0.111 . 1 . . . A 53 GLN CA . 19288 1
498 . 1 1 53 53 GLN CB C 13 30.904 0.141 . 1 . . . A 53 GLN CB . 19288 1
499 . 1 1 53 53 GLN CG C 13 33.834 0.060 . 1 . . . A 53 GLN CG . 19288 1
500 . 1 1 53 53 GLN N N 15 115.534 0.061 . 1 . . . A 53 GLN N . 19288 1
501 . 1 1 53 53 GLN NE2 N 15 111.718 0.050 . 1 . . . A 53 GLN NE2 . 19288 1
502 . 1 1 54 54 LYS H H 1 9.132 0.008 . 1 . . . A 54 LYS H . 19288 1
503 . 1 1 54 54 LYS HA H 1 3.771 0.006 . 1 . . . A 54 LYS HA . 19288 1
504 . 1 1 54 54 LYS HB2 H 1 1.858 0.012 . 2 . . . A 54 LYS HB2 . 19288 1
505 . 1 1 54 54 LYS HB3 H 1 1.858 0.012 . 2 . . . A 54 LYS HB3 . 19288 1
506 . 1 1 54 54 LYS HG2 H 1 1.491 0.006 . 2 . . . A 54 LYS HG2 . 19288 1
507 . 1 1 54 54 LYS HG3 H 1 1.491 0.006 . 2 . . . A 54 LYS HG3 . 19288 1
508 . 1 1 54 54 LYS HD2 H 1 1.721 0.012 . 2 . . . A 54 LYS HD2 . 19288 1
509 . 1 1 54 54 LYS HD3 H 1 1.721 0.012 . 2 . . . A 54 LYS HD3 . 19288 1
510 . 1 1 54 54 LYS HE2 H 1 3.021 0.018 . 2 . . . A 54 LYS HE2 . 19288 1
511 . 1 1 54 54 LYS HE3 H 1 3.021 0.018 . 2 . . . A 54 LYS HE3 . 19288 1
512 . 1 1 54 54 LYS C C 13 176.035 0.000 . 1 . . . A 54 LYS C . 19288 1
513 . 1 1 54 54 LYS CA C 13 59.833 0.098 . 1 . . . A 54 LYS CA . 19288 1
514 . 1 1 54 54 LYS CB C 13 32.087 0.114 . 1 . . . A 54 LYS CB . 19288 1
515 . 1 1 54 54 LYS CG C 13 25.037 0.021 . 1 . . . A 54 LYS CG . 19288 1
516 . 1 1 54 54 LYS CD C 13 29.137 0.041 . 1 . . . A 54 LYS CD . 19288 1
517 . 1 1 54 54 LYS CE C 13 42.175 0.072 . 1 . . . A 54 LYS CE . 19288 1
518 . 1 1 54 54 LYS N N 15 127.065 0.054 . 1 . . . A 54 LYS N . 19288 1
519 . 1 1 55 55 ALA H H 1 9.016 0.004 . 1 . . . A 55 ALA H . 19288 1
520 . 1 1 55 55 ALA HA H 1 4.135 0.011 . 1 . . . A 55 ALA HA . 19288 1
521 . 1 1 55 55 ALA HB1 H 1 1.392 0.005 . 1 . . . A 55 ALA HB1 . 19288 1
522 . 1 1 55 55 ALA HB2 H 1 1.392 0.005 . 1 . . . A 55 ALA HB2 . 19288 1
523 . 1 1 55 55 ALA HB3 H 1 1.392 0.005 . 1 . . . A 55 ALA HB3 . 19288 1
524 . 1 1 55 55 ALA C C 13 176.728 0.000 . 1 . . . A 55 ALA C . 19288 1
525 . 1 1 55 55 ALA CA C 13 55.456 0.027 . 1 . . . A 55 ALA CA . 19288 1
526 . 1 1 55 55 ALA CB C 13 18.224 0.014 . 1 . . . A 55 ALA CB . 19288 1
527 . 1 1 55 55 ALA N N 15 120.230 0.050 . 1 . . . A 55 ALA N . 19288 1
528 . 1 1 56 56 SER H H 1 7.097 0.013 . 1 . . . A 56 SER H . 19288 1
529 . 1 1 56 56 SER HA H 1 4.509 0.005 . 1 . . . A 56 SER HA . 19288 1
530 . 1 1 56 56 SER HB2 H 1 4.189 0.043 . 2 . . . A 56 SER HB2 . 19288 1
531 . 1 1 56 56 SER HB3 H 1 4.189 0.043 . 2 . . . A 56 SER HB3 . 19288 1
532 . 1 1 56 56 SER C C 13 178.309 0.000 . 1 . . . A 56 SER C . 19288 1
533 . 1 1 56 56 SER CA C 13 61.172 0.150 . 1 . . . A 56 SER CA . 19288 1
534 . 1 1 56 56 SER CB C 13 62.925 0.196 . 1 . . . A 56 SER CB . 19288 1
535 . 1 1 56 56 SER N N 15 112.225 0.151 . 1 . . . A 56 SER N . 19288 1
536 . 1 1 57 57 LEU H H 1 7.667 0.011 . 1 . . . A 57 LEU H . 19288 1
537 . 1 1 57 57 LEU HA H 1 4.327 0.008 . 1 . . . A 57 LEU HA . 19288 1
538 . 1 1 57 57 LEU HB2 H 1 2.083 0.009 . 2 . . . A 57 LEU HB2 . 19288 1
539 . 1 1 57 57 LEU HB3 H 1 1.312 0.011 . 2 . . . A 57 LEU HB3 . 19288 1
540 . 1 1 57 57 LEU HG H 1 1.755 0.021 . 1 . . . A 57 LEU HG . 19288 1
541 . 1 1 57 57 LEU HD11 H 1 0.954 0.007 . 2 . . . A 57 LEU HD11 . 19288 1
542 . 1 1 57 57 LEU HD12 H 1 0.954 0.007 . 2 . . . A 57 LEU HD12 . 19288 1
543 . 1 1 57 57 LEU HD13 H 1 0.954 0.007 . 2 . . . A 57 LEU HD13 . 19288 1
544 . 1 1 57 57 LEU HD21 H 1 0.944 0.011 . 2 . . . A 57 LEU HD21 . 19288 1
545 . 1 1 57 57 LEU HD22 H 1 0.944 0.011 . 2 . . . A 57 LEU HD22 . 19288 1
546 . 1 1 57 57 LEU HD23 H 1 0.944 0.011 . 2 . . . A 57 LEU HD23 . 19288 1
547 . 1 1 57 57 LEU C C 13 180.642 0.000 . 1 . . . A 57 LEU C . 19288 1
548 . 1 1 57 57 LEU CA C 13 58.038 0.092 . 1 . . . A 57 LEU CA . 19288 1
549 . 1 1 57 57 LEU CB C 13 41.443 0.097 . 1 . . . A 57 LEU CB . 19288 1
550 . 1 1 57 57 LEU CG C 13 27.172 0.090 . 1 . . . A 57 LEU CG . 19288 1
551 . 1 1 57 57 LEU CD1 C 13 26.520 0.087 . 1 . . . A 57 LEU CD1 . 19288 1
552 . 1 1 57 57 LEU CD2 C 13 22.703 0.045 . 1 . . . A 57 LEU CD2 . 19288 1
553 . 1 1 57 57 LEU N N 15 126.317 0.104 . 1 . . . A 57 LEU N . 19288 1
554 . 1 1 58 58 ASN H H 1 8.533 0.005 . 1 . . . A 58 ASN H . 19288 1
555 . 1 1 58 58 ASN HA H 1 4.364 0.016 . 1 . . . A 58 ASN HA . 19288 1
556 . 1 1 58 58 ASN HB2 H 1 2.826 0.012 . 2 . . . A 58 ASN HB2 . 19288 1
557 . 1 1 58 58 ASN HB3 H 1 2.826 0.012 . 2 . . . A 58 ASN HB3 . 19288 1
558 . 1 1 58 58 ASN HD21 H 1 7.564 0.001 . 2 . . . A 58 ASN HD21 . 19288 1
559 . 1 1 58 58 ASN HD22 H 1 6.829 0.001 . 2 . . . A 58 ASN HD22 . 19288 1
560 . 1 1 58 58 ASN C C 13 176.770 0.000 . 1 . . . A 58 ASN C . 19288 1
561 . 1 1 58 58 ASN CA C 13 56.457 0.174 . 1 . . . A 58 ASN CA . 19288 1
562 . 1 1 58 58 ASN CB C 13 37.852 0.071 . 1 . . . A 58 ASN CB . 19288 1
563 . 1 1 58 58 ASN N N 15 118.325 0.067 . 1 . . . A 58 ASN N . 19288 1
564 . 1 1 58 58 ASN ND2 N 15 110.513 0.053 . 1 . . . A 58 ASN ND2 . 19288 1
565 . 1 1 59 59 TRP H H 1 7.914 0.012 . 1 . . . A 59 TRP H . 19288 1
566 . 1 1 59 59 TRP HA H 1 4.349 0.012 . 1 . . . A 59 TRP HA . 19288 1
567 . 1 1 59 59 TRP HB2 H 1 3.399 0.007 . 2 . . . A 59 TRP HB2 . 19288 1
568 . 1 1 59 59 TRP HB3 H 1 3.399 0.007 . 2 . . . A 59 TRP HB3 . 19288 1
569 . 1 1 59 59 TRP HD1 H 1 7.276 0.031 . 1 . . . A 59 TRP HD1 . 19288 1
570 . 1 1 59 59 TRP HE1 H 1 10.084 0.004 . 1 . . . A 59 TRP HE1 . 19288 1
571 . 1 1 59 59 TRP HE3 H 1 7.691 0.002 . 1 . . . A 59 TRP HE3 . 19288 1
572 . 1 1 59 59 TRP HZ2 H 1 7.470 0.001 . 1 . . . A 59 TRP HZ2 . 19288 1
573 . 1 1 59 59 TRP HZ3 H 1 7.129 0.001 . 1 . . . A 59 TRP HZ3 . 19288 1
574 . 1 1 59 59 TRP HH2 H 1 7.206 0.000 . 1 . . . A 59 TRP HH2 . 19288 1
575 . 1 1 59 59 TRP C C 13 178.160 0.000 . 1 . . . A 59 TRP C . 19288 1
576 . 1 1 59 59 TRP CA C 13 60.432 0.102 . 1 . . . A 59 TRP CA . 19288 1
577 . 1 1 59 59 TRP CB C 13 29.304 0.114 . 1 . . . A 59 TRP CB . 19288 1
578 . 1 1 59 59 TRP CD1 C 13 126.900 0.018 . 1 . . . A 59 TRP CD1 . 19288 1
579 . 1 1 59 59 TRP CE3 C 13 120.458 0.018 . 1 . . . A 59 TRP CE3 . 19288 1
580 . 1 1 59 59 TRP CZ2 C 13 114.494 0.113 . 1 . . . A 59 TRP CZ2 . 19288 1
581 . 1 1 59 59 TRP CZ3 C 13 121.487 0.000 . 1 . . . A 59 TRP CZ3 . 19288 1
582 . 1 1 59 59 TRP CH2 C 13 124.141 0.000 . 1 . . . A 59 TRP CH2 . 19288 1
583 . 1 1 59 59 TRP N N 15 119.802 0.039 . 1 . . . A 59 TRP N . 19288 1
584 . 1 1 59 59 TRP NE1 N 15 129.150 0.000 . 1 . . . A 59 TRP NE1 . 19288 1
585 . 1 1 60 60 HIS H H 1 8.131 0.012 . 1 . . . A 60 HIS H . 19288 1
586 . 1 1 60 60 HIS HA H 1 3.675 0.012 . 1 . . . A 60 HIS HA . 19288 1
587 . 1 1 60 60 HIS HB2 H 1 3.451 0.028 . 2 . . . A 60 HIS HB2 . 19288 1
588 . 1 1 60 60 HIS HB3 H 1 2.785 0.057 . 2 . . . A 60 HIS HB3 . 19288 1
589 . 1 1 60 60 HIS HD2 H 1 7.071 0.003 . 1 . . . A 60 HIS HD2 . 19288 1
590 . 1 1 60 60 HIS C C 13 174.721 0.000 . 1 . . . A 60 HIS C . 19288 1
591 . 1 1 60 60 HIS CA C 13 60.038 0.101 . 1 . . . A 60 HIS CA . 19288 1
592 . 1 1 60 60 HIS CB C 13 28.143 0.049 . 1 . . . A 60 HIS CB . 19288 1
593 . 1 1 60 60 HIS CD2 C 13 126.438 0.040 . 1 . . . A 60 HIS CD2 . 19288 1
594 . 1 1 60 60 HIS N N 15 119.175 0.036 . 1 . . . A 60 HIS N . 19288 1
595 . 1 1 61 61 MET H H 1 8.448 0.005 . 1 . . . A 61 MET H . 19288 1
596 . 1 1 61 61 MET HA H 1 4.127 0.016 . 1 . . . A 61 MET HA . 19288 1
597 . 1 1 61 61 MET HB2 H 1 2.219 0.012 . 2 . . . A 61 MET HB2 . 19288 1
598 . 1 1 61 61 MET HB3 H 1 2.219 0.012 . 2 . . . A 61 MET HB3 . 19288 1
599 . 1 1 61 61 MET HG2 H 1 3.042 0.004 . 2 . . . A 61 MET HG2 . 19288 1
600 . 1 1 61 61 MET HG3 H 1 3.042 0.004 . 2 . . . A 61 MET HG3 . 19288 1
601 . 1 1 61 61 MET C C 13 178.337 0.000 . 1 . . . A 61 MET C . 19288 1
602 . 1 1 61 61 MET CA C 13 57.177 0.077 . 1 . . . A 61 MET CA . 19288 1
603 . 1 1 61 61 MET CB C 13 30.085 0.056 . 1 . . . A 61 MET CB . 19288 1
604 . 1 1 61 61 MET CG C 13 31.699 0.043 . 1 . . . A 61 MET CG . 19288 1
605 . 1 1 61 61 MET N N 15 114.602 0.093 . 1 . . . A 61 MET N . 19288 1
606 . 1 1 62 62 LYS H H 1 7.285 0.021 . 1 . . . A 62 LYS H . 19288 1
607 . 1 1 62 62 LYS HA H 1 3.998 0.002 . 1 . . . A 62 LYS HA . 19288 1
608 . 1 1 62 62 LYS HB2 H 1 1.302 0.000 . 2 . . . A 62 LYS HB2 . 19288 1
609 . 1 1 62 62 LYS HB3 H 1 1.302 0.000 . 2 . . . A 62 LYS HB3 . 19288 1
610 . 1 1 62 62 LYS HG2 H 1 1.482 0.002 . 2 . . . A 62 LYS HG2 . 19288 1
611 . 1 1 62 62 LYS HG3 H 1 1.482 0.002 . 2 . . . A 62 LYS HG3 . 19288 1
612 . 1 1 62 62 LYS HD2 H 1 1.474 0.004 . 2 . . . A 62 LYS HD2 . 19288 1
613 . 1 1 62 62 LYS HD3 H 1 1.474 0.004 . 2 . . . A 62 LYS HD3 . 19288 1
614 . 1 1 62 62 LYS HE2 H 1 2.785 0.011 . 2 . . . A 62 LYS HE2 . 19288 1
615 . 1 1 62 62 LYS HE3 H 1 2.785 0.011 . 2 . . . A 62 LYS HE3 . 19288 1
616 . 1 1 62 62 LYS C C 13 176.716 0.000 . 1 . . . A 62 LYS C . 19288 1
617 . 1 1 62 62 LYS CA C 13 58.512 0.131 . 1 . . . A 62 LYS CA . 19288 1
618 . 1 1 62 62 LYS CB C 13 31.694 0.056 . 1 . . . A 62 LYS CB . 19288 1
619 . 1 1 62 62 LYS CG C 13 24.801 0.034 . 1 . . . A 62 LYS CG . 19288 1
620 . 1 1 62 62 LYS CD C 13 28.699 0.107 . 1 . . . A 62 LYS CD . 19288 1
621 . 1 1 62 62 LYS CE C 13 42.190 0.004 . 1 . . . A 62 LYS CE . 19288 1
622 . 1 1 62 62 LYS N N 15 118.858 0.083 . 1 . . . A 62 LYS N . 19288 1
623 . 1 1 63 63 LYS H H 1 7.516 0.011 . 1 . . . A 63 LYS H . 19288 1
624 . 1 1 63 63 LYS HA H 1 3.793 0.006 . 1 . . . A 63 LYS HA . 19288 1
625 . 1 1 63 63 LYS HB2 H 1 1.210 0.008 . 2 . . . A 63 LYS HB2 . 19288 1
626 . 1 1 63 63 LYS HB3 H 1 1.210 0.008 . 2 . . . A 63 LYS HB3 . 19288 1
627 . 1 1 63 63 LYS HG2 H 1 0.928 0.008 . 2 . . . A 63 LYS HG2 . 19288 1
628 . 1 1 63 63 LYS HG3 H 1 0.928 0.008 . 2 . . . A 63 LYS HG3 . 19288 1
629 . 1 1 63 63 LYS HD2 H 1 1.221 0.006 . 2 . . . A 63 LYS HD2 . 19288 1
630 . 1 1 63 63 LYS HD3 H 1 1.221 0.006 . 2 . . . A 63 LYS HD3 . 19288 1
631 . 1 1 63 63 LYS HE2 H 1 2.664 0.006 . 2 . . . A 63 LYS HE2 . 19288 1
632 . 1 1 63 63 LYS HE3 H 1 2.664 0.006 . 2 . . . A 63 LYS HE3 . 19288 1
633 . 1 1 63 63 LYS C C 13 179.150 0.000 . 1 . . . A 63 LYS C . 19288 1
634 . 1 1 63 63 LYS CA C 13 57.827 0.081 . 1 . . . A 63 LYS CA . 19288 1
635 . 1 1 63 63 LYS CB C 13 31.272 0.069 . 1 . . . A 63 LYS CB . 19288 1
636 . 1 1 63 63 LYS CG C 13 24.393 0.054 . 1 . . . A 63 LYS CG . 19288 1
637 . 1 1 63 63 LYS CD C 13 29.006 0.055 . 1 . . . A 63 LYS CD . 19288 1
638 . 1 1 63 63 LYS CE C 13 41.945 0.124 . 1 . . . A 63 LYS CE . 19288 1
639 . 1 1 63 63 LYS N N 15 117.683 0.041 . 1 . . . A 63 LYS N . 19288 1
640 . 1 1 64 64 HIS H H 1 7.155 0.020 . 1 . . . A 64 HIS H . 19288 1
641 . 1 1 64 64 HIS HA H 1 4.708 0.015 . 1 . . . A 64 HIS HA . 19288 1
642 . 1 1 64 64 HIS HB2 H 1 3.152 0.027 . 2 . . . A 64 HIS HB2 . 19288 1
643 . 1 1 64 64 HIS HB3 H 1 3.152 0.027 . 2 . . . A 64 HIS HB3 . 19288 1
644 . 1 1 64 64 HIS HD2 H 1 6.844 0.004 . 1 . . . A 64 HIS HD2 . 19288 1
645 . 1 1 64 64 HIS C C 13 178.727 0.000 . 1 . . . A 64 HIS C . 19288 1
646 . 1 1 64 64 HIS CA C 13 55.628 0.231 . 1 . . . A 64 HIS CA . 19288 1
647 . 1 1 64 64 HIS CB C 13 28.782 0.081 . 1 . . . A 64 HIS CB . 19288 1
648 . 1 1 64 64 HIS CD2 C 13 127.313 0.009 . 1 . . . A 64 HIS CD2 . 19288 1
649 . 1 1 64 64 HIS N N 15 115.200 0.111 . 1 . . . A 64 HIS N . 19288 1
650 . 1 1 65 65 ASP H H 1 7.653 0.010 . 1 . . . A 65 ASP H . 19288 1
651 . 1 1 65 65 ASP HA H 1 4.503 0.004 . 1 . . . A 65 ASP HA . 19288 1
652 . 1 1 65 65 ASP HB2 H 1 2.668 0.010 . 2 . . . A 65 ASP HB2 . 19288 1
653 . 1 1 65 65 ASP HB3 H 1 2.668 0.010 . 2 . . . A 65 ASP HB3 . 19288 1
654 . 1 1 65 65 ASP C C 13 177.648 0.000 . 1 . . . A 65 ASP C . 19288 1
655 . 1 1 65 65 ASP CA C 13 55.296 0.084 . 1 . . . A 65 ASP CA . 19288 1
656 . 1 1 65 65 ASP CB C 13 41.122 0.108 . 1 . . . A 65 ASP CB . 19288 1
657 . 1 1 65 65 ASP N N 15 120.441 0.062 . 1 . . . A 65 ASP N . 19288 1
658 . 1 1 66 66 ALA H H 1 8.088 0.008 . 1 . . . A 66 ALA H . 19288 1
659 . 1 1 66 66 ALA HA H 1 4.141 0.003 . 1 . . . A 66 ALA HA . 19288 1
660 . 1 1 66 66 ALA HB1 H 1 1.351 0.010 . 1 . . . A 66 ALA HB1 . 19288 1
661 . 1 1 66 66 ALA HB2 H 1 1.351 0.010 . 1 . . . A 66 ALA HB2 . 19288 1
662 . 1 1 66 66 ALA HB3 H 1 1.351 0.010 . 1 . . . A 66 ALA HB3 . 19288 1
663 . 1 1 66 66 ALA C C 13 175.172 0.000 . 1 . . . A 66 ALA C . 19288 1
664 . 1 1 66 66 ALA CA C 13 53.693 0.148 . 1 . . . A 66 ALA CA . 19288 1
665 . 1 1 66 66 ALA CB C 13 19.049 0.109 . 1 . . . A 66 ALA CB . 19288 1
666 . 1 1 66 66 ALA N N 15 123.184 0.093 . 1 . . . A 66 ALA N . 19288 1
667 . 1 1 67 67 ASP H H 1 7.999 0.011 . 1 . . . A 67 ASP H . 19288 1
668 . 1 1 67 67 ASP HA H 1 4.175 0.008 . 1 . . . A 67 ASP HA . 19288 1
669 . 1 1 67 67 ASP HB2 H 1 2.561 0.005 . 2 . . . A 67 ASP HB2 . 19288 1
670 . 1 1 67 67 ASP HB3 H 1 2.561 0.005 . 2 . . . A 67 ASP HB3 . 19288 1
671 . 1 1 67 67 ASP C C 13 176.687 0.000 . 1 . . . A 67 ASP C . 19288 1
672 . 1 1 67 67 ASP CA C 13 54.842 0.104 . 1 . . . A 67 ASP CA . 19288 1
673 . 1 1 67 67 ASP CB C 13 40.957 0.088 . 1 . . . A 67 ASP CB . 19288 1
674 . 1 1 67 67 ASP N N 15 117.608 0.047 . 1 . . . A 67 ASP N . 19288 1
675 . 1 1 68 68 SER H H 1 7.797 0.006 . 1 . . . A 68 SER H . 19288 1
676 . 1 1 68 68 SER HA H 1 4.145 0.006 . 1 . . . A 68 SER HA . 19288 1
677 . 1 1 68 68 SER HB2 H 1 3.631 0.006 . 2 . . . A 68 SER HB2 . 19288 1
678 . 1 1 68 68 SER HB3 H 1 3.631 0.006 . 2 . . . A 68 SER HB3 . 19288 1
679 . 1 1 68 68 SER C C 13 178.056 0.000 . 1 . . . A 68 SER C . 19288 1
680 . 1 1 68 68 SER CA C 13 59.397 0.073 . 1 . . . A 68 SER CA . 19288 1
681 . 1 1 68 68 SER CB C 13 63.682 0.162 . 1 . . . A 68 SER CB . 19288 1
682 . 1 1 68 68 SER N N 15 114.794 0.094 . 1 . . . A 68 SER N . 19288 1
683 . 1 1 69 69 PHE H H 1 7.850 0.004 . 1 . . . A 69 PHE H . 19288 1
684 . 1 1 69 69 PHE HA H 1 4.474 0.007 . 1 . . . A 69 PHE HA . 19288 1
685 . 1 1 69 69 PHE HB2 H 1 2.957 0.012 . 2 . . . A 69 PHE HB2 . 19288 1
686 . 1 1 69 69 PHE HB3 H 1 2.957 0.012 . 2 . . . A 69 PHE HB3 . 19288 1
687 . 1 1 69 69 PHE HD1 H 1 7.053 0.001 . 1 . . . A 69 PHE HD1 . 19288 1
688 . 1 1 69 69 PHE HD2 H 1 7.053 0.001 . 1 . . . A 69 PHE HD2 . 19288 1
689 . 1 1 69 69 PHE HE1 H 1 7.223 0.002 . 1 . . . A 69 PHE HE1 . 19288 1
690 . 1 1 69 69 PHE HE2 H 1 7.223 0.002 . 1 . . . A 69 PHE HE2 . 19288 1
691 . 1 1 69 69 PHE C C 13 176.959 0.000 . 1 . . . A 69 PHE C . 19288 1
692 . 1 1 69 69 PHE CA C 13 58.048 0.077 . 1 . . . A 69 PHE CA . 19288 1
693 . 1 1 69 69 PHE CB C 13 39.353 0.092 . 1 . . . A 69 PHE CB . 19288 1
694 . 1 1 69 69 PHE CD1 C 13 131.284 0.010 . 1 . . . A 69 PHE CD1 . 19288 1
695 . 1 1 69 69 PHE CE1 C 13 131.010 0.033 . 1 . . . A 69 PHE CE1 . 19288 1
696 . 1 1 69 69 PHE N N 15 120.277 0.043 . 1 . . . A 69 PHE N . 19288 1
697 . 1 1 70 70 TYR H H 1 7.818 0.004 . 1 . . . A 70 TYR H . 19288 1
698 . 1 1 70 70 TYR HA H 1 4.494 0.082 . 1 . . . A 70 TYR HA . 19288 1
699 . 1 1 70 70 TYR HB2 H 1 2.896 0.023 . 2 . . . A 70 TYR HB2 . 19288 1
700 . 1 1 70 70 TYR HB3 H 1 2.896 0.023 . 2 . . . A 70 TYR HB3 . 19288 1
701 . 1 1 70 70 TYR HD1 H 1 6.843 0.001 . 1 . . . A 70 TYR HD1 . 19288 1
702 . 1 1 70 70 TYR HD2 H 1 6.843 0.001 . 1 . . . A 70 TYR HD2 . 19288 1
703 . 1 1 70 70 TYR HE1 H 1 6.743 0.000 . 1 . . . A 70 TYR HE1 . 19288 1
704 . 1 1 70 70 TYR HE2 H 1 6.743 0.000 . 1 . . . A 70 TYR HE2 . 19288 1
705 . 1 1 70 70 TYR C C 13 174.330 0.000 . 1 . . . A 70 TYR C . 19288 1
706 . 1 1 70 70 TYR CA C 13 56.491 0.051 . 1 . . . A 70 TYR CA . 19288 1
707 . 1 1 70 70 TYR CB C 13 37.727 0.102 . 1 . . . A 70 TYR CB . 19288 1
708 . 1 1 70 70 TYR CD2 C 13 131.584 0.012 . 1 . . . A 70 TYR CD2 . 19288 1
709 . 1 1 70 70 TYR CE2 C 13 117.968 0.021 . 1 . . . A 70 TYR CE2 . 19288 1
710 . 1 1 70 70 TYR N N 15 121.023 0.049 . 1 . . . A 70 TYR N . 19288 1
711 . 1 1 71 71 GLN H H 1 8.352 0.006 . 1 . . . A 71 GLN H . 19288 1
712 . 1 1 71 71 GLN HA H 1 4.085 0.006 . 1 . . . A 71 GLN HA . 19288 1
713 . 1 1 71 71 GLN HB2 H 1 1.585 0.001 . 2 . . . A 71 GLN HB2 . 19288 1
714 . 1 1 71 71 GLN HB3 H 1 1.585 0.001 . 2 . . . A 71 GLN HB3 . 19288 1
715 . 1 1 71 71 GLN HG2 H 1 2.010 0.006 . 2 . . . A 71 GLN HG2 . 19288 1
716 . 1 1 71 71 GLN HG3 H 1 2.010 0.006 . 2 . . . A 71 GLN HG3 . 19288 1
717 . 1 1 71 71 GLN HE21 H 1 7.387 0.000 . 2 . . . A 71 GLN HE21 . 19288 1
718 . 1 1 71 71 GLN HE22 H 1 6.800 0.001 . 2 . . . A 71 GLN HE22 . 19288 1
719 . 1 1 71 71 GLN C C 13 175.830 0.000 . 1 . . . A 71 GLN C . 19288 1
720 . 1 1 71 71 GLN CA C 13 56.485 0.079 . 1 . . . A 71 GLN CA . 19288 1
721 . 1 1 71 71 GLN CB C 13 30.291 0.103 . 1 . . . A 71 GLN CB . 19288 1
722 . 1 1 71 71 GLN CG C 13 34.077 0.078 . 1 . . . A 71 GLN CG . 19288 1
723 . 1 1 71 71 GLN N N 15 119.046 0.101 . 1 . . . A 71 GLN N . 19288 1
724 . 1 1 71 71 GLN NE2 N 15 112.054 0.030 . 1 . . . A 71 GLN NE2 . 19288 1
725 . 1 1 72 72 PHE H H 1 7.901 0.009 . 1 . . . A 72 PHE H . 19288 1
726 . 1 1 72 72 PHE HA H 1 4.850 0.003 . 1 . . . A 72 PHE HA . 19288 1
727 . 1 1 72 72 PHE HB2 H 1 3.124 0.010 . 2 . . . A 72 PHE HB2 . 19288 1
728 . 1 1 72 72 PHE HB3 H 1 2.657 0.011 . 2 . . . A 72 PHE HB3 . 19288 1
729 . 1 1 72 72 PHE HD1 H 1 7.126 0.005 . 1 . . . A 72 PHE HD1 . 19288 1
730 . 1 1 72 72 PHE HD2 H 1 7.126 0.005 . 1 . . . A 72 PHE HD2 . 19288 1
731 . 1 1 72 72 PHE HE1 H 1 7.403 0.006 . 1 . . . A 72 PHE HE1 . 19288 1
732 . 1 1 72 72 PHE HE2 H 1 7.403 0.006 . 1 . . . A 72 PHE HE2 . 19288 1
733 . 1 1 72 72 PHE C C 13 176.323 0.000 . 1 . . . A 72 PHE C . 19288 1
734 . 1 1 72 72 PHE CA C 13 57.157 0.111 . 1 . . . A 72 PHE CA . 19288 1
735 . 1 1 72 72 PHE CB C 13 41.106 0.101 . 1 . . . A 72 PHE CB . 19288 1
736 . 1 1 72 72 PHE CD2 C 13 131.484 0.030 . 1 . . . A 72 PHE CD2 . 19288 1
737 . 1 1 72 72 PHE CE2 C 13 131.281 0.035 . 1 . . . A 72 PHE CE2 . 19288 1
738 . 1 1 72 72 PHE N N 15 117.779 0.065 . 1 . . . A 72 PHE N . 19288 1
739 . 1 1 73 73 SER H H 1 8.744 0.007 . 1 . . . A 73 SER H . 19288 1
740 . 1 1 73 73 SER HA H 1 5.469 0.006 . 1 . . . A 73 SER HA . 19288 1
741 . 1 1 73 73 SER HB2 H 1 3.587 0.006 . 2 . . . A 73 SER HB2 . 19288 1
742 . 1 1 73 73 SER HB3 H 1 3.587 0.006 . 2 . . . A 73 SER HB3 . 19288 1
743 . 1 1 73 73 SER C C 13 175.151 0.000 . 1 . . . A 73 SER C . 19288 1
744 . 1 1 73 73 SER CA C 13 57.026 0.105 . 1 . . . A 73 SER CA . 19288 1
745 . 1 1 73 73 SER CB C 13 65.963 0.142 . 1 . . . A 73 SER CB . 19288 1
746 . 1 1 73 73 SER N N 15 114.707 0.103 . 1 . . . A 73 SER N . 19288 1
747 . 1 1 74 74 CYS H H 1 9.154 0.014 . 1 . . . A 74 CYS H . 19288 1
748 . 1 1 74 74 CYS HA H 1 4.391 0.004 . 1 . . . A 74 CYS HA . 19288 1
749 . 1 1 74 74 CYS HB2 H 1 2.844 0.007 . 1 . . . A 74 CYS HB2 . 19288 1
750 . 1 1 74 74 CYS HB3 H 1 3.370 0.010 . 1 . . . A 74 CYS HB3 . 19288 1
751 . 1 1 74 74 CYS C C 13 174.848 0.000 . 1 . . . A 74 CYS C . 19288 1
752 . 1 1 74 74 CYS CA C 13 59.743 0.077 . 1 . . . A 74 CYS CA . 19288 1
753 . 1 1 74 74 CYS CB C 13 30.581 0.056 . 1 . . . A 74 CYS CB . 19288 1
754 . 1 1 74 74 CYS N N 15 124.143 0.068 . 1 . . . A 74 CYS N . 19288 1
755 . 1 1 75 75 ASN HA H 1 4.501 0.002 . 1 . . . A 75 ASN HA . 19288 1
756 . 1 1 75 75 ASN HB2 H 1 2.919 0.009 . 2 . . . A 75 ASN HB2 . 19288 1
757 . 1 1 75 75 ASN HB3 H 1 2.919 0.009 . 2 . . . A 75 ASN HB3 . 19288 1
758 . 1 1 75 75 ASN HD21 H 1 7.619 0.001 . 2 . . . A 75 ASN HD21 . 19288 1
759 . 1 1 75 75 ASN HD22 H 1 6.956 0.004 . 2 . . . A 75 ASN HD22 . 19288 1
760 . 1 1 75 75 ASN C C 13 173.664 0.000 . 1 . . . A 75 ASN C . 19288 1
761 . 1 1 75 75 ASN CA C 13 55.316 0.070 . 1 . . . A 75 ASN CA . 19288 1
762 . 1 1 75 75 ASN CB C 13 36.774 0.075 . 1 . . . A 75 ASN CB . 19288 1
763 . 1 1 75 75 ASN ND2 N 15 113.321 0.057 . 1 . . . A 75 ASN ND2 . 19288 1
764 . 1 1 76 76 ILE H H 1 8.921 0.008 . 1 . . . A 76 ILE H . 19288 1
765 . 1 1 76 76 ILE HA H 1 3.908 0.004 . 1 . . . A 76 ILE HA . 19288 1
766 . 1 1 76 76 ILE HB H 1 1.034 0.014 . 1 . . . A 76 ILE HB . 19288 1
767 . 1 1 76 76 ILE HG12 H 1 1.296 0.009 . 2 . . . A 76 ILE HG12 . 19288 1
768 . 1 1 76 76 ILE HG13 H 1 1.029 0.007 . 2 . . . A 76 ILE HG13 . 19288 1
769 . 1 1 76 76 ILE HG21 H 1 0.316 0.014 . 1 . . . A 76 ILE HG21 . 19288 1
770 . 1 1 76 76 ILE HG22 H 1 0.316 0.014 . 1 . . . A 76 ILE HG22 . 19288 1
771 . 1 1 76 76 ILE HG23 H 1 0.316 0.014 . 1 . . . A 76 ILE HG23 . 19288 1
772 . 1 1 76 76 ILE HD11 H 1 0.618 0.013 . 1 . . . A 76 ILE HD11 . 19288 1
773 . 1 1 76 76 ILE HD12 H 1 0.618 0.013 . 1 . . . A 76 ILE HD12 . 19288 1
774 . 1 1 76 76 ILE HD13 H 1 0.618 0.013 . 1 . . . A 76 ILE HD13 . 19288 1
775 . 1 1 76 76 ILE CA C 13 63.223 0.103 . 1 . . . A 76 ILE CA . 19288 1
776 . 1 1 76 76 ILE CB C 13 38.269 0.099 . 1 . . . A 76 ILE CB . 19288 1
777 . 1 1 76 76 ILE CG1 C 13 27.593 0.111 . 1 . . . A 76 ILE CG1 . 19288 1
778 . 1 1 76 76 ILE CG2 C 13 16.700 0.084 . 1 . . . A 76 ILE CG2 . 19288 1
779 . 1 1 76 76 ILE CD1 C 13 12.363 0.043 . 1 . . . A 76 ILE CD1 . 19288 1
780 . 1 1 76 76 ILE N N 15 123.143 0.088 . 1 . . . A 76 ILE N . 19288 1
781 . 1 1 77 77 CYS H H 1 8.243 0.013 . 1 . . . A 77 CYS H . 19288 1
782 . 1 1 77 77 CYS HA H 1 5.159 0.004 . 1 . . . A 77 CYS HA . 19288 1
783 . 1 1 77 77 CYS HB2 H 1 3.489 0.006 . 2 . . . A 77 CYS HB2 . 19288 1
784 . 1 1 77 77 CYS HB3 H 1 2.902 0.007 . 2 . . . A 77 CYS HB3 . 19288 1
785 . 1 1 77 77 CYS C C 13 174.401 0.000 . 1 . . . A 77 CYS C . 19288 1
786 . 1 1 77 77 CYS CA C 13 58.394 0.149 . 1 . . . A 77 CYS CA . 19288 1
787 . 1 1 77 77 CYS CB C 13 32.743 0.069 . 1 . . . A 77 CYS CB . 19288 1
788 . 1 1 77 77 CYS N N 15 116.298 0.095 . 1 . . . A 77 CYS N . 19288 1
789 . 1 1 78 78 GLY H H 1 8.060 0.025 . 1 . . . A 78 GLY H . 19288 1
790 . 1 1 78 78 GLY HA2 H 1 3.869 0.005 . 1 . . . A 78 GLY HA2 . 19288 1
791 . 1 1 78 78 GLY HA3 H 1 4.216 0.007 . 1 . . . A 78 GLY HA3 . 19288 1
792 . 1 1 78 78 GLY C C 13 176.862 0.000 . 1 . . . A 78 GLY C . 19288 1
793 . 1 1 78 78 GLY CA C 13 46.321 0.081 . 1 . . . A 78 GLY CA . 19288 1
794 . 1 1 78 78 GLY N N 15 113.607 0.118 . 1 . . . A 78 GLY N . 19288 1
795 . 1 1 79 79 LYS H H 1 7.977 0.006 . 1 . . . A 79 LYS H . 19288 1
796 . 1 1 79 79 LYS HA H 1 3.950 0.006 . 1 . . . A 79 LYS HA . 19288 1
797 . 1 1 79 79 LYS HB2 H 1 1.565 0.010 . 2 . . . A 79 LYS HB2 . 19288 1
798 . 1 1 79 79 LYS HB3 H 1 1.201 0.016 . 2 . . . A 79 LYS HB3 . 19288 1
799 . 1 1 79 79 LYS HG2 H 1 1.335 0.018 . 2 . . . A 79 LYS HG2 . 19288 1
800 . 1 1 79 79 LYS HG3 H 1 0.927 0.010 . 2 . . . A 79 LYS HG3 . 19288 1
801 . 1 1 79 79 LYS HD2 H 1 1.450 0.000 . 2 . . . A 79 LYS HD2 . 19288 1
802 . 1 1 79 79 LYS HD3 H 1 1.450 0.000 . 2 . . . A 79 LYS HD3 . 19288 1
803 . 1 1 79 79 LYS HE2 H 1 2.818 0.031 . 2 . . . A 79 LYS HE2 . 19288 1
804 . 1 1 79 79 LYS HE3 H 1 2.818 0.031 . 2 . . . A 79 LYS HE3 . 19288 1
805 . 1 1 79 79 LYS C C 13 176.484 0.000 . 1 . . . A 79 LYS C . 19288 1
806 . 1 1 79 79 LYS CA C 13 58.342 0.072 . 1 . . . A 79 LYS CA . 19288 1
807 . 1 1 79 79 LYS CB C 13 33.770 0.070 . 1 . . . A 79 LYS CB . 19288 1
808 . 1 1 79 79 LYS CG C 13 25.982 0.080 . 1 . . . A 79 LYS CG . 19288 1
809 . 1 1 79 79 LYS CD C 13 29.393 0.138 . 1 . . . A 79 LYS CD . 19288 1
810 . 1 1 79 79 LYS CE C 13 42.287 0.177 . 1 . . . A 79 LYS CE . 19288 1
811 . 1 1 79 79 LYS N N 15 123.134 0.104 . 1 . . . A 79 LYS N . 19288 1
812 . 1 1 80 80 LYS H H 1 7.918 0.009 . 1 . . . A 80 LYS H . 19288 1
813 . 1 1 80 80 LYS HA H 1 4.884 0.010 . 1 . . . A 80 LYS HA . 19288 1
814 . 1 1 80 80 LYS HB2 H 1 1.576 0.003 . 2 . . . A 80 LYS HB2 . 19288 1
815 . 1 1 80 80 LYS HB3 H 1 1.576 0.003 . 2 . . . A 80 LYS HB3 . 19288 1
816 . 1 1 80 80 LYS HG2 H 1 1.221 0.000 . 2 . . . A 80 LYS HG2 . 19288 1
817 . 1 1 80 80 LYS HG3 H 1 1.221 0.000 . 2 . . . A 80 LYS HG3 . 19288 1
818 . 1 1 80 80 LYS HD2 H 1 1.505 0.018 . 2 . . . A 80 LYS HD2 . 19288 1
819 . 1 1 80 80 LYS HD3 H 1 1.505 0.018 . 2 . . . A 80 LYS HD3 . 19288 1
820 . 1 1 80 80 LYS HE2 H 1 2.864 0.004 . 2 . . . A 80 LYS HE2 . 19288 1
821 . 1 1 80 80 LYS HE3 H 1 2.864 0.004 . 2 . . . A 80 LYS HE3 . 19288 1
822 . 1 1 80 80 LYS C C 13 173.961 0.000 . 1 . . . A 80 LYS C . 19288 1
823 . 1 1 80 80 LYS CA C 13 55.524 0.117 . 1 . . . A 80 LYS CA . 19288 1
824 . 1 1 80 80 LYS CB C 13 35.024 0.064 . 1 . . . A 80 LYS CB . 19288 1
825 . 1 1 80 80 LYS CG C 13 25.289 0.098 . 1 . . . A 80 LYS CG . 19288 1
826 . 1 1 80 80 LYS CD C 13 29.121 0.072 . 1 . . . A 80 LYS CD . 19288 1
827 . 1 1 80 80 LYS CE C 13 42.340 0.097 . 1 . . . A 80 LYS CE . 19288 1
828 . 1 1 80 80 LYS N N 15 121.440 0.063 . 1 . . . A 80 LYS N . 19288 1
829 . 1 1 81 81 PHE H H 1 8.725 0.007 . 1 . . . A 81 PHE H . 19288 1
830 . 1 1 81 81 PHE HA H 1 4.598 0.023 . 1 . . . A 81 PHE HA . 19288 1
831 . 1 1 81 81 PHE HB2 H 1 3.197 0.008 . 2 . . . A 81 PHE HB2 . 19288 1
832 . 1 1 81 81 PHE HB3 H 1 2.435 0.011 . 2 . . . A 81 PHE HB3 . 19288 1
833 . 1 1 81 81 PHE HD1 H 1 7.081 0.030 . 1 . . . A 81 PHE HD1 . 19288 1
834 . 1 1 81 81 PHE HD2 H 1 7.081 0.030 . 1 . . . A 81 PHE HD2 . 19288 1
835 . 1 1 81 81 PHE HE1 H 1 6.795 0.003 . 1 . . . A 81 PHE HE1 . 19288 1
836 . 1 1 81 81 PHE HE2 H 1 6.795 0.003 . 1 . . . A 81 PHE HE2 . 19288 1
837 . 1 1 81 81 PHE C C 13 174.541 0.000 . 1 . . . A 81 PHE C . 19288 1
838 . 1 1 81 81 PHE CA C 13 57.359 0.105 . 1 . . . A 81 PHE CA . 19288 1
839 . 1 1 81 81 PHE CB C 13 44.738 0.100 . 1 . . . A 81 PHE CB . 19288 1
840 . 1 1 81 81 PHE CD2 C 13 132.259 0.018 . 1 . . . A 81 PHE CD2 . 19288 1
841 . 1 1 81 81 PHE CE2 C 13 129.902 0.074 . 1 . . . A 81 PHE CE2 . 19288 1
842 . 1 1 81 81 PHE N N 15 116.724 0.065 . 1 . . . A 81 PHE N . 19288 1
843 . 1 1 82 82 GLU H H 1 8.775 0.009 . 1 . . . A 82 GLU H . 19288 1
844 . 1 1 82 82 GLU HA H 1 4.155 0.018 . 1 . . . A 82 GLU HA . 19288 1
845 . 1 1 82 82 GLU HB2 H 1 1.682 0.005 . 2 . . . A 82 GLU HB2 . 19288 1
846 . 1 1 82 82 GLU HB3 H 1 1.682 0.005 . 2 . . . A 82 GLU HB3 . 19288 1
847 . 1 1 82 82 GLU HG2 H 1 2.165 0.006 . 2 . . . A 82 GLU HG2 . 19288 1
848 . 1 1 82 82 GLU HG3 H 1 2.165 0.006 . 2 . . . A 82 GLU HG3 . 19288 1
849 . 1 1 82 82 GLU C C 13 175.832 0.000 . 1 . . . A 82 GLU C . 19288 1
850 . 1 1 82 82 GLU CA C 13 57.900 0.119 . 1 . . . A 82 GLU CA . 19288 1
851 . 1 1 82 82 GLU CB C 13 30.829 0.144 . 1 . . . A 82 GLU CB . 19288 1
852 . 1 1 82 82 GLU CG C 13 36.633 0.032 . 1 . . . A 82 GLU CG . 19288 1
853 . 1 1 82 82 GLU N N 15 120.474 0.066 . 1 . . . A 82 GLU N . 19288 1
854 . 1 1 83 83 LYS H H 1 7.547 0.010 . 1 . . . A 83 LYS H . 19288 1
855 . 1 1 83 83 LYS HA H 1 4.607 0.021 . 1 . . . A 83 LYS HA . 19288 1
856 . 1 1 83 83 LYS HB2 H 1 1.884 0.018 . 2 . . . A 83 LYS HB2 . 19288 1
857 . 1 1 83 83 LYS HB3 H 1 1.884 0.018 . 2 . . . A 83 LYS HB3 . 19288 1
858 . 1 1 83 83 LYS HG2 H 1 1.395 0.012 . 2 . . . A 83 LYS HG2 . 19288 1
859 . 1 1 83 83 LYS HG3 H 1 1.395 0.012 . 2 . . . A 83 LYS HG3 . 19288 1
860 . 1 1 83 83 LYS HD2 H 1 1.661 0.027 . 2 . . . A 83 LYS HD2 . 19288 1
861 . 1 1 83 83 LYS HD3 H 1 1.661 0.027 . 2 . . . A 83 LYS HD3 . 19288 1
862 . 1 1 83 83 LYS HE2 H 1 2.956 0.003 . 2 . . . A 83 LYS HE2 . 19288 1
863 . 1 1 83 83 LYS HE3 H 1 2.956 0.003 . 2 . . . A 83 LYS HE3 . 19288 1
864 . 1 1 83 83 LYS C C 13 174.585 0.000 . 1 . . . A 83 LYS C . 19288 1
865 . 1 1 83 83 LYS CA C 13 54.369 0.092 . 1 . . . A 83 LYS CA . 19288 1
866 . 1 1 83 83 LYS CB C 13 35.540 0.074 . 1 . . . A 83 LYS CB . 19288 1
867 . 1 1 83 83 LYS CG C 13 24.865 0.037 . 1 . . . A 83 LYS CG . 19288 1
868 . 1 1 83 83 LYS CD C 13 29.207 0.062 . 1 . . . A 83 LYS CD . 19288 1
869 . 1 1 83 83 LYS CE C 13 42.328 0.048 . 1 . . . A 83 LYS CE . 19288 1
870 . 1 1 83 83 LYS N N 15 114.607 0.089 . 1 . . . A 83 LYS N . 19288 1
871 . 1 1 84 84 LYS H H 1 8.162 0.008 . 1 . . . A 84 LYS H . 19288 1
872 . 1 1 84 84 LYS HA H 1 3.073 0.008 . 1 . . . A 84 LYS HA . 19288 1
873 . 1 1 84 84 LYS HB2 H 1 1.311 0.013 . 2 . . . A 84 LYS HB2 . 19288 1
874 . 1 1 84 84 LYS HB3 H 1 1.056 0.012 . 2 . . . A 84 LYS HB3 . 19288 1
875 . 1 1 84 84 LYS HG2 H 1 1.029 0.020 . 2 . . . A 84 LYS HG2 . 19288 1
876 . 1 1 84 84 LYS HG3 H 1 1.029 0.020 . 2 . . . A 84 LYS HG3 . 19288 1
877 . 1 1 84 84 LYS HD2 H 1 1.509 0.010 . 2 . . . A 84 LYS HD2 . 19288 1
878 . 1 1 84 84 LYS HD3 H 1 1.509 0.010 . 2 . . . A 84 LYS HD3 . 19288 1
879 . 1 1 84 84 LYS HE2 H 1 2.868 0.003 . 2 . . . A 84 LYS HE2 . 19288 1
880 . 1 1 84 84 LYS HE3 H 1 2.868 0.003 . 2 . . . A 84 LYS HE3 . 19288 1
881 . 1 1 84 84 LYS C C 13 176.545 0.000 . 1 . . . A 84 LYS C . 19288 1
882 . 1 1 84 84 LYS CA C 13 59.680 0.148 . 1 . . . A 84 LYS CA . 19288 1
883 . 1 1 84 84 LYS CB C 13 31.920 0.084 . 1 . . . A 84 LYS CB . 19288 1
884 . 1 1 84 84 LYS CG C 13 24.595 0.042 . 1 . . . A 84 LYS CG . 19288 1
885 . 1 1 84 84 LYS CD C 13 29.280 0.045 . 1 . . . A 84 LYS CD . 19288 1
886 . 1 1 84 84 LYS CE C 13 42.164 0.010 . 1 . . . A 84 LYS CE . 19288 1
887 . 1 1 84 84 LYS N N 15 124.921 0.057 . 1 . . . A 84 LYS N . 19288 1
888 . 1 1 85 85 ASP H H 1 8.682 0.004 . 1 . . . A 85 ASP H . 19288 1
889 . 1 1 85 85 ASP HA H 1 4.192 0.004 . 1 . . . A 85 ASP HA . 19288 1
890 . 1 1 85 85 ASP HB2 H 1 2.507 0.000 . 2 . . . A 85 ASP HB2 . 19288 1
891 . 1 1 85 85 ASP HB3 H 1 2.507 0.000 . 2 . . . A 85 ASP HB3 . 19288 1
892 . 1 1 85 85 ASP C C 13 176.385 0.000 . 1 . . . A 85 ASP C . 19288 1
893 . 1 1 85 85 ASP CA C 13 56.789 0.098 . 1 . . . A 85 ASP CA . 19288 1
894 . 1 1 85 85 ASP CB C 13 39.780 0.086 . 1 . . . A 85 ASP CB . 19288 1
895 . 1 1 85 85 ASP N N 15 116.468 0.096 . 1 . . . A 85 ASP N . 19288 1
896 . 1 1 86 86 SER H H 1 7.200 0.010 . 1 . . . A 86 SER H . 19288 1
897 . 1 1 86 86 SER HA H 1 4.183 0.003 . 1 . . . A 86 SER HA . 19288 1
898 . 1 1 86 86 SER HB2 H 1 3.910 0.009 . 2 . . . A 86 SER HB2 . 19288 1
899 . 1 1 86 86 SER HB3 H 1 3.910 0.009 . 2 . . . A 86 SER HB3 . 19288 1
900 . 1 1 86 86 SER C C 13 179.169 0.000 . 1 . . . A 86 SER C . 19288 1
901 . 1 1 86 86 SER CA C 13 60.939 0.134 . 1 . . . A 86 SER CA . 19288 1
902 . 1 1 86 86 SER CB C 13 62.823 0.157 . 1 . . . A 86 SER CB . 19288 1
903 . 1 1 86 86 SER N N 15 114.601 0.070 . 1 . . . A 86 SER N . 19288 1
904 . 1 1 87 87 VAL H H 1 7.216 0.007 . 1 . . . A 87 VAL H . 19288 1
905 . 1 1 87 87 VAL HA H 1 2.698 0.008 . 1 . . . A 87 VAL HA . 19288 1
906 . 1 1 87 87 VAL HB H 1 2.102 0.008 . 1 . . . A 87 VAL HB . 19288 1
907 . 1 1 87 87 VAL HG11 H 1 0.917 0.000 . 2 . . . A 87 VAL HG11 . 19288 1
908 . 1 1 87 87 VAL HG12 H 1 0.917 0.000 . 2 . . . A 87 VAL HG12 . 19288 1
909 . 1 1 87 87 VAL HG13 H 1 0.917 0.000 . 2 . . . A 87 VAL HG13 . 19288 1
910 . 1 1 87 87 VAL HG21 H 1 0.917 0.000 . 2 . . . A 87 VAL HG21 . 19288 1
911 . 1 1 87 87 VAL HG22 H 1 0.917 0.000 . 2 . . . A 87 VAL HG22 . 19288 1
912 . 1 1 87 87 VAL HG23 H 1 0.917 0.000 . 2 . . . A 87 VAL HG23 . 19288 1
913 . 1 1 87 87 VAL C C 13 178.806 0.000 . 1 . . . A 87 VAL C . 19288 1
914 . 1 1 87 87 VAL CA C 13 66.028 0.120 . 1 . . . A 87 VAL CA . 19288 1
915 . 1 1 87 87 VAL CB C 13 31.461 0.075 . 1 . . . A 87 VAL CB . 19288 1
916 . 1 1 87 87 VAL CG1 C 13 22.772 0.126 . 1 . . . A 87 VAL CG1 . 19288 1
917 . 1 1 87 87 VAL CG2 C 13 21.601 0.159 . 1 . . . A 87 VAL CG2 . 19288 1
918 . 1 1 87 87 VAL N N 15 122.546 0.044 . 1 . . . A 87 VAL N . 19288 1
919 . 1 1 88 88 VAL H H 1 7.190 0.008 . 1 . . . A 88 VAL H . 19288 1
920 . 1 1 88 88 VAL HA H 1 3.485 0.005 . 1 . . . A 88 VAL HA . 19288 1
921 . 1 1 88 88 VAL HB H 1 2.051 0.010 . 1 . . . A 88 VAL HB . 19288 1
922 . 1 1 88 88 VAL HG11 H 1 0.937 0.000 . 2 . . . A 88 VAL HG11 . 19288 1
923 . 1 1 88 88 VAL HG12 H 1 0.937 0.000 . 2 . . . A 88 VAL HG12 . 19288 1
924 . 1 1 88 88 VAL HG13 H 1 0.937 0.000 . 2 . . . A 88 VAL HG13 . 19288 1
925 . 1 1 88 88 VAL HG21 H 1 0.937 0.000 . 2 . . . A 88 VAL HG21 . 19288 1
926 . 1 1 88 88 VAL HG22 H 1 0.937 0.000 . 2 . . . A 88 VAL HG22 . 19288 1
927 . 1 1 88 88 VAL HG23 H 1 0.937 0.000 . 2 . . . A 88 VAL HG23 . 19288 1
928 . 1 1 88 88 VAL C C 13 176.208 0.000 . 1 . . . A 88 VAL C . 19288 1
929 . 1 1 88 88 VAL CA C 13 66.735 0.176 . 1 . . . A 88 VAL CA . 19288 1
930 . 1 1 88 88 VAL CB C 13 31.948 0.073 . 1 . . . A 88 VAL CB . 19288 1
931 . 1 1 88 88 VAL CG1 C 13 22.261 0.106 . 1 . . . A 88 VAL CG1 . 19288 1
932 . 1 1 88 88 VAL CG2 C 13 20.802 0.139 . 1 . . . A 88 VAL CG2 . 19288 1
933 . 1 1 88 88 VAL N N 15 120.424 0.062 . 1 . . . A 88 VAL N . 19288 1
934 . 1 1 89 89 ALA H H 1 7.420 0.008 . 1 . . . A 89 ALA H . 19288 1
935 . 1 1 89 89 ALA HA H 1 4.129 0.005 . 1 . . . A 89 ALA HA . 19288 1
936 . 1 1 89 89 ALA HB1 H 1 1.376 0.022 . 1 . . . A 89 ALA HB1 . 19288 1
937 . 1 1 89 89 ALA HB2 H 1 1.376 0.022 . 1 . . . A 89 ALA HB2 . 19288 1
938 . 1 1 89 89 ALA HB3 H 1 1.376 0.022 . 1 . . . A 89 ALA HB3 . 19288 1
939 . 1 1 89 89 ALA C C 13 177.109 0.000 . 1 . . . A 89 ALA C . 19288 1
940 . 1 1 89 89 ALA CA C 13 54.855 0.081 . 1 . . . A 89 ALA CA . 19288 1
941 . 1 1 89 89 ALA CB C 13 18.270 0.058 . 1 . . . A 89 ALA CB . 19288 1
942 . 1 1 89 89 ALA N N 15 121.639 0.101 . 1 . . . A 89 ALA N . 19288 1
943 . 1 1 90 90 HIS H H 1 7.649 0.010 . 1 . . . A 90 HIS H . 19288 1
944 . 1 1 90 90 HIS HA H 1 4.374 0.006 . 1 . . . A 90 HIS HA . 19288 1
945 . 1 1 90 90 HIS HB2 H 1 3.031 0.033 . 2 . . . A 90 HIS HB2 . 19288 1
946 . 1 1 90 90 HIS HB3 H 1 3.031 0.033 . 2 . . . A 90 HIS HB3 . 19288 1
947 . 1 1 90 90 HIS HD2 H 1 7.119 0.004 . 1 . . . A 90 HIS HD2 . 19288 1
948 . 1 1 90 90 HIS C C 13 178.873 0.000 . 1 . . . A 90 HIS C . 19288 1
949 . 1 1 90 90 HIS CA C 13 58.794 0.128 . 1 . . . A 90 HIS CA . 19288 1
950 . 1 1 90 90 HIS CB C 13 28.238 0.038 . 1 . . . A 90 HIS CB . 19288 1
951 . 1 1 90 90 HIS CD2 C 13 127.304 0.021 . 1 . . . A 90 HIS CD2 . 19288 1
952 . 1 1 90 90 HIS N N 15 117.488 0.144 . 1 . . . A 90 HIS N . 19288 1
953 . 1 1 91 91 LYS H H 1 8.649 0.006 . 1 . . . A 91 LYS H . 19288 1
954 . 1 1 91 91 LYS HA H 1 3.579 0.015 . 1 . . . A 91 LYS HA . 19288 1
955 . 1 1 91 91 LYS HB2 H 1 1.990 0.020 . 2 . . . A 91 LYS HB2 . 19288 1
956 . 1 1 91 91 LYS HB3 H 1 1.990 0.020 . 2 . . . A 91 LYS HB3 . 19288 1
957 . 1 1 91 91 LYS HG2 H 1 1.965 0.022 . 2 . . . A 91 LYS HG2 . 19288 1
958 . 1 1 91 91 LYS HG3 H 1 1.673 0.005 . 2 . . . A 91 LYS HG3 . 19288 1
959 . 1 1 91 91 LYS HD2 H 1 1.847 0.004 . 2 . . . A 91 LYS HD2 . 19288 1
960 . 1 1 91 91 LYS HD3 H 1 1.847 0.004 . 2 . . . A 91 LYS HD3 . 19288 1
961 . 1 1 91 91 LYS HE2 H 1 3.133 0.002 . 2 . . . A 91 LYS HE2 . 19288 1
962 . 1 1 91 91 LYS HE3 H 1 3.133 0.002 . 2 . . . A 91 LYS HE3 . 19288 1
963 . 1 1 91 91 LYS C C 13 179.933 0.000 . 1 . . . A 91 LYS C . 19288 1
964 . 1 1 91 91 LYS CA C 13 61.129 0.076 . 1 . . . A 91 LYS CA . 19288 1
965 . 1 1 91 91 LYS CB C 13 32.205 0.066 . 1 . . . A 91 LYS CB . 19288 1
966 . 1 1 91 91 LYS CG C 13 27.661 0.192 . 1 . . . A 91 LYS CG . 19288 1
967 . 1 1 91 91 LYS CD C 13 30.154 0.048 . 1 . . . A 91 LYS CD . 19288 1
968 . 1 1 91 91 LYS CE C 13 42.774 0.025 . 1 . . . A 91 LYS CE . 19288 1
969 . 1 1 91 91 LYS N N 15 121.094 0.119 . 1 . . . A 91 LYS N . 19288 1
970 . 1 1 92 92 ALA H H 1 7.428 0.005 . 1 . . . A 92 ALA H . 19288 1
971 . 1 1 92 92 ALA HA H 1 4.015 0.008 . 1 . . . A 92 ALA HA . 19288 1
972 . 1 1 92 92 ALA HB1 H 1 1.402 0.010 . 1 . . . A 92 ALA HB1 . 19288 1
973 . 1 1 92 92 ALA HB2 H 1 1.402 0.010 . 1 . . . A 92 ALA HB2 . 19288 1
974 . 1 1 92 92 ALA HB3 H 1 1.402 0.010 . 1 . . . A 92 ALA HB3 . 19288 1
975 . 1 1 92 92 ALA C C 13 177.133 0.000 . 1 . . . A 92 ALA C . 19288 1
976 . 1 1 92 92 ALA CA C 13 54.565 0.148 . 1 . . . A 92 ALA CA . 19288 1
977 . 1 1 92 92 ALA CB C 13 18.169 0.048 . 1 . . . A 92 ALA CB . 19288 1
978 . 1 1 92 92 ALA N N 15 118.467 0.118 . 1 . . . A 92 ALA N . 19288 1
979 . 1 1 93 93 LYS H H 1 7.219 0.020 . 1 . . . A 93 LYS H . 19288 1
980 . 1 1 93 93 LYS HA H 1 4.179 0.005 . 1 . . . A 93 LYS HA . 19288 1
981 . 1 1 93 93 LYS HB2 H 1 1.779 0.015 . 2 . . . A 93 LYS HB2 . 19288 1
982 . 1 1 93 93 LYS HB3 H 1 1.779 0.015 . 2 . . . A 93 LYS HB3 . 19288 1
983 . 1 1 93 93 LYS HG2 H 1 1.390 0.009 . 2 . . . A 93 LYS HG2 . 19288 1
984 . 1 1 93 93 LYS HG3 H 1 1.390 0.009 . 2 . . . A 93 LYS HG3 . 19288 1
985 . 1 1 93 93 LYS HD2 H 1 1.634 0.008 . 2 . . . A 93 LYS HD2 . 19288 1
986 . 1 1 93 93 LYS HD3 H 1 1.634 0.008 . 2 . . . A 93 LYS HD3 . 19288 1
987 . 1 1 93 93 LYS HE2 H 1 2.933 0.008 . 2 . . . A 93 LYS HE2 . 19288 1
988 . 1 1 93 93 LYS HE3 H 1 2.933 0.008 . 2 . . . A 93 LYS HE3 . 19288 1
989 . 1 1 93 93 LYS C C 13 177.854 0.000 . 1 . . . A 93 LYS C . 19288 1
990 . 1 1 93 93 LYS CA C 13 57.652 0.106 . 1 . . . A 93 LYS CA . 19288 1
991 . 1 1 93 93 LYS CB C 13 33.860 0.066 . 1 . . . A 93 LYS CB . 19288 1
992 . 1 1 93 93 LYS CG C 13 24.806 0.040 . 1 . . . A 93 LYS CG . 19288 1
993 . 1 1 93 93 LYS CD C 13 28.956 0.040 . 1 . . . A 93 LYS CD . 19288 1
994 . 1 1 93 93 LYS CE C 13 42.376 0.000 . 1 . . . A 93 LYS CE . 19288 1
995 . 1 1 93 93 LYS N N 15 114.095 0.091 . 1 . . . A 93 LYS N . 19288 1
996 . 1 1 94 94 SER H H 1 8.363 0.006 . 1 . . . A 94 SER H . 19288 1
997 . 1 1 94 94 SER HA H 1 4.237 0.006 . 1 . . . A 94 SER HA . 19288 1
998 . 1 1 94 94 SER HB2 H 1 3.031 0.007 . 1 . . . A 94 SER HB2 . 19288 1
999 . 1 1 94 94 SER HB3 H 1 2.360 0.007 . 1 . . . A 94 SER HB3 . 19288 1
1000 . 1 1 94 94 SER C C 13 178.892 0.000 . 1 . . . A 94 SER C . 19288 1
1001 . 1 1 94 94 SER CA C 13 60.570 0.114 . 1 . . . A 94 SER CA . 19288 1
1002 . 1 1 94 94 SER CB C 13 63.273 0.141 . 1 . . . A 94 SER CB . 19288 1
1003 . 1 1 94 94 SER N N 15 111.984 0.118 . 1 . . . A 94 SER N . 19288 1
1004 . 1 1 95 95 HIS H H 1 7.737 0.008 . 1 . . . A 95 HIS H . 19288 1
1005 . 1 1 95 95 HIS HA H 1 5.415 0.008 . 1 . . . A 95 HIS HA . 19288 1
1006 . 1 1 95 95 HIS HB2 H 1 3.120 0.014 . 2 . . . A 95 HIS HB2 . 19288 1
1007 . 1 1 95 95 HIS HB3 H 1 3.120 0.014 . 2 . . . A 95 HIS HB3 . 19288 1
1008 . 1 1 95 95 HIS HD2 H 1 6.561 0.002 . 1 . . . A 95 HIS HD2 . 19288 1
1009 . 1 1 95 95 HIS C C 13 178.479 0.000 . 1 . . . A 95 HIS C . 19288 1
1010 . 1 1 95 95 HIS CA C 13 51.725 0.092 . 1 . . . A 95 HIS CA . 19288 1
1011 . 1 1 95 95 HIS CB C 13 29.033 0.117 . 1 . . . A 95 HIS CB . 19288 1
1012 . 1 1 95 95 HIS CD2 C 13 127.666 0.020 . 1 . . . A 95 HIS CD2 . 19288 1
1013 . 1 1 95 95 HIS N N 15 117.264 0.085 . 1 . . . A 95 HIS N . 19288 1
1014 . 1 1 96 96 PRO HA H 1 4.352 0.003 . 1 . . . A 96 PRO HA . 19288 1
1015 . 1 1 96 96 PRO HB2 H 1 2.263 0.009 . 2 . . . A 96 PRO HB2 . 19288 1
1016 . 1 1 96 96 PRO HB3 H 1 1.968 0.006 . 2 . . . A 96 PRO HB3 . 19288 1
1017 . 1 1 96 96 PRO HG2 H 1 1.918 0.009 . 2 . . . A 96 PRO HG2 . 19288 1
1018 . 1 1 96 96 PRO HG3 H 1 1.918 0.009 . 2 . . . A 96 PRO HG3 . 19288 1
1019 . 1 1 96 96 PRO HD2 H 1 3.515 0.011 . 1 . . . A 96 PRO HD2 . 19288 1
1020 . 1 1 96 96 PRO HD3 H 1 3.148 0.013 . 1 . . . A 96 PRO HD3 . 19288 1
1021 . 1 1 96 96 PRO C C 13 173.266 0.000 . 1 . . . A 96 PRO C . 19288 1
1022 . 1 1 96 96 PRO CA C 13 64.304 0.148 . 1 . . . A 96 PRO CA . 19288 1
1023 . 1 1 96 96 PRO CB C 13 31.996 0.063 . 1 . . . A 96 PRO CB . 19288 1
1024 . 1 1 96 96 PRO CG C 13 27.417 0.050 . 1 . . . A 96 PRO CG . 19288 1
1025 . 1 1 96 96 PRO CD C 13 50.501 0.061 . 1 . . . A 96 PRO CD . 19288 1
1026 . 1 1 97 97 GLU H H 1 8.950 0.006 . 1 . . . A 97 GLU H . 19288 1
1027 . 1 1 97 97 GLU HA H 1 4.298 0.009 . 1 . . . A 97 GLU HA . 19288 1
1028 . 1 1 97 97 GLU HB2 H 1 2.001 0.038 . 2 . . . A 97 GLU HB2 . 19288 1
1029 . 1 1 97 97 GLU HB3 H 1 2.001 0.038 . 2 . . . A 97 GLU HB3 . 19288 1
1030 . 1 1 97 97 GLU HG2 H 1 2.268 0.012 . 2 . . . A 97 GLU HG2 . 19288 1
1031 . 1 1 97 97 GLU HG3 H 1 2.268 0.012 . 2 . . . A 97 GLU HG3 . 19288 1
1032 . 1 1 97 97 GLU CA C 13 56.891 0.102 . 1 . . . A 97 GLU CA . 19288 1
1033 . 1 1 97 97 GLU CB C 13 29.746 0.090 . 1 . . . A 97 GLU CB . 19288 1
1034 . 1 1 97 97 GLU CG C 13 36.431 0.020 . 1 . . . A 97 GLU CG . 19288 1
1035 . 1 1 97 97 GLU N N 15 120.763 0.031 . 1 . . . A 97 GLU N . 19288 1
1036 . 1 1 98 98 VAL H H 1 7.566 0.005 . 1 . . . A 98 VAL H . 19288 1
1037 . 1 1 98 98 VAL HA H 1 4.015 0.004 . 1 . . . A 98 VAL HA . 19288 1
1038 . 1 1 98 98 VAL HB H 1 2.078 0.006 . 1 . . . A 98 VAL HB . 19288 1
1039 . 1 1 98 98 VAL HG11 H 1 0.877 0.013 . 2 . . . A 98 VAL HG11 . 19288 1
1040 . 1 1 98 98 VAL HG12 H 1 0.877 0.013 . 2 . . . A 98 VAL HG12 . 19288 1
1041 . 1 1 98 98 VAL HG13 H 1 0.877 0.013 . 2 . . . A 98 VAL HG13 . 19288 1
1042 . 1 1 98 98 VAL HG21 H 1 0.869 0.004 . 2 . . . A 98 VAL HG21 . 19288 1
1043 . 1 1 98 98 VAL HG22 H 1 0.869 0.004 . 2 . . . A 98 VAL HG22 . 19288 1
1044 . 1 1 98 98 VAL HG23 H 1 0.869 0.004 . 2 . . . A 98 VAL HG23 . 19288 1
1045 . 1 1 98 98 VAL C C 13 177.076 0.000 . 1 . . . A 98 VAL C . 19288 1
1046 . 1 1 98 98 VAL CA C 13 63.965 0.132 . 1 . . . A 98 VAL CA . 19288 1
1047 . 1 1 98 98 VAL CB C 13 33.122 0.081 . 1 . . . A 98 VAL CB . 19288 1
1048 . 1 1 98 98 VAL CG1 C 13 21.762 0.065 . 1 . . . A 98 VAL CG1 . 19288 1
1049 . 1 1 98 98 VAL CG2 C 13 20.447 0.070 . 1 . . . A 98 VAL CG2 . 19288 1
1050 . 1 1 98 98 VAL N N 15 124.794 0.094 . 1 . . . A 98 VAL N . 19288 1
stop_
save_
################################
# Residual dipolar couplings #
################################
save_C12E5_RDC
_RDC_list.Sf_category RDCs
_RDC_list.Sf_framecode C12E5_RDC
_RDC_list.Entry_ID 19288
_RDC_list.ID 1
_RDC_list.Sample_condition_list_ID 1
_RDC_list.Sample_condition_list_label $sample_conditions_1
_RDC_list.Spectrometer_frequency_1H 600
_RDC_list.Bond_length_usage_flag .
_RDC_list.Dipolar_constraint_calib_method .
_RDC_list.Mol_align_tensor_axial_sym_mol .
_RDC_list.Mol_align_tensor_rhombic_mol .
_RDC_list.General_order_param_int_motions .
_RDC_list.Assumed_H_N_bond_length .
_RDC_list.Assumed_H_C_bond_length .
_RDC_list.Assumed_C_N_bond_length .
_RDC_list.Details .
_RDC_list.Text_data_format .
_RDC_list.Text_data .
loop_
_RDC_experiment.Experiment_ID
_RDC_experiment.Experiment_name
_RDC_experiment.Sample_ID
_RDC_experiment.Sample_label
_RDC_experiment.Sample_state
_RDC_experiment.Entry_ID
_RDC_experiment.RDC_list_ID
13 '2D 1H-15N J-modulation HSQC' . . . 19288 1
15 '2D 1H-15N J-modulation HSQC' . . . 19288 1
stop_
loop_
_RDC.ID
_RDC.RDC_code
_RDC.Assembly_atom_ID_1
_RDC.Entity_assembly_ID_1
_RDC.Entity_ID_1
_RDC.Comp_index_ID_1
_RDC.Seq_ID_1
_RDC.Comp_ID_1
_RDC.Atom_ID_1
_RDC.Atom_type_1
_RDC.Atom_isotope_number_1
_RDC.Ambiguity_code_1
_RDC.Assembly_atom_ID_2
_RDC.Entity_assembly_ID_2
_RDC.Entity_ID_2
_RDC.Comp_index_ID_2
_RDC.Seq_ID_2
_RDC.Comp_ID_2
_RDC.Atom_ID_2
_RDC.Atom_type_2
_RDC.Atom_isotope_number_2
_RDC.Ambiguity_code_2
_RDC.Val
_RDC.Val_min
_RDC.Val_max
_RDC.Val_err
_RDC.Val_bond_length
_RDC.Resonance_ID_1
_RDC.Resonance_ID_2
_RDC.Auth_entity_assembly_ID_1
_RDC.Auth_seq_ID_1
_RDC.Auth_comp_ID_1
_RDC.Auth_atom_ID_1
_RDC.Auth_entity_assembly_ID_2
_RDC.Auth_seq_ID_2
_RDC.Auth_comp_ID_2
_RDC.Auth_atom_ID_2
_RDC.Entry_ID
_RDC.RDC_list_ID
1 DNH . 1 1 13 13 ASP N N 15 . . 1 1 13 13 ASP H H 1 . -7.746 . . 1.5 . . . . . . . . . . . 19288 1
2 DNH . 1 1 14 14 TYR N N 15 . . 1 1 14 14 TYR H H 1 . -10.180 . . 1.5 . . . . . . . . . . . 19288 1
3 DNH . 1 1 15 15 ILE N N 15 . . 1 1 15 15 ILE H H 1 . -7.704 . . 1.5 . . . . . . . . . . . 19288 1
4 DNH . 1 1 16 16 CYS N N 15 . . 1 1 16 16 CYS H H 1 . -5.839 . . 1.5 . . . . . . . . . . . 19288 1
5 DNH . 1 1 17 17 GLU N N 15 . . 1 1 17 17 GLU H H 1 . -5.721 . . 1.5 . . . . . . . . . . . 19288 1
6 DNH . 1 1 18 18 TYR N N 15 . . 1 1 18 18 TYR H H 1 . -9.646 . . 1.5 . . . . . . . . . . . 19288 1
7 DNH . 1 1 19 19 CYS N N 15 . . 1 1 19 19 CYS H H 1 . -9.094 . . 1.5 . . . . . . . . . . . 19288 1
8 DNH . 1 1 20 20 ALA N N 15 . . 1 1 20 20 ALA H H 1 . -6.683 . . 1.5 . . . . . . . . . . . 19288 1
9 DNH . 1 1 21 21 ARG N N 15 . . 1 1 21 21 ARG H H 1 . 4.972 . . 1.5 . . . . . . . . . . . 19288 1
10 DNH . 1 1 22 22 ALA N N 15 . . 1 1 22 22 ALA H H 1 . -8.785 . . 1.5 . . . . . . . . . . . 19288 1
11 DNH . 1 1 23 23 PHE N N 15 . . 1 1 23 23 PHE H H 1 . -8.447 . . 1.5 . . . . . . . . . . . 19288 1
12 DNH . 1 1 24 24 LYS N N 15 . . 1 1 24 24 LYS H H 1 . -4.057 . . 1.5 . . . . . . . . . . . 19288 1
13 DNH . 1 1 25 25 SER N N 15 . . 1 1 25 25 SER H H 1 . 7.506 . . 1.5 . . . . . . . . . . . 19288 1
14 DNH . 1 1 26 26 SER N N 15 . . 1 1 26 26 SER H H 1 . 11.734 . . 1.5 . . . . . . . . . . . 19288 1
15 DNH . 1 1 29 29 LEU N N 15 . . 1 1 29 29 LEU H H 1 . 12.605 . . 1.5 . . . . . . . . . . . 19288 1
16 DNH . 1 1 30 30 ALA N N 15 . . 1 1 30 30 ALA H H 1 . 11.476 . . 1.5 . . . . . . . . . . . 19288 1
17 DNH . 1 1 31 31 VAL N N 15 . . 1 1 31 31 VAL H H 1 . 20.742 . . 1.5 . . . . . . . . . . . 19288 1
18 DNH . 1 1 32 32 HIS N N 15 . . 1 1 32 32 HIS H H 1 . 18.374 . . 1.5 . . . . . . . . . . . 19288 1
19 DNH . 1 1 33 33 ARG N N 15 . . 1 1 33 33 ARG H H 1 . 11.961 . . 1.5 . . . . . . . . . . . 19288 1
20 DNH . 1 1 34 34 MET N N 15 . . 1 1 34 34 MET H H 1 . 7.531 . . 1.5 . . . . . . . . . . . 19288 1
21 DNH . 1 1 35 35 ILE N N 15 . . 1 1 35 35 ILE H H 1 . 24.146 . . 1.5 . . . . . . . . . . . 19288 1
22 DNH . 1 1 36 36 HIS N N 15 . . 1 1 36 36 HIS H H 1 . 8.718 . . 1.5 . . . . . . . . . . . 19288 1
23 DNH . 1 1 38 38 GLY N N 15 . . 1 1 38 38 GLY H H 1 . 2.240 . . 1.5 . . . . . . . . . . . 19288 1
24 DNH . 1 1 39 39 GLU N N 15 . . 1 1 39 39 GLU H H 1 . 7.300 . . 1.5 . . . . . . . . . . . 19288 1
25 DNH . 1 1 40 40 LYS N N 15 . . 1 1 40 40 LYS H H 1 . -10.217 . . 1.5 . . . . . . . . . . . 19288 1
26 DNH . 1 1 42 42 LEU N N 15 . . 1 1 42 42 LEU H H 1 . -10.056 . . 1.5 . . . . . . . . . . . 19288 1
27 DNH . 1 1 43 43 GLN N N 15 . . 1 1 43 43 GLN H H 1 . -9.771 . . 1.5 . . . . . . . . . . . 19288 1
28 DNH . 1 1 44 44 CYS N N 15 . . 1 1 44 44 CYS H H 1 . -6.405 . . 1.5 . . . . . . . . . . . 19288 1
29 DNH . 1 1 45 45 GLU N N 15 . . 1 1 45 45 GLU H H 1 . -1.715 . . 1.5 . . . . . . . . . . . 19288 1
30 DNH . 1 1 46 46 ILE N N 15 . . 1 1 46 46 ILE H H 1 . -8.573 . . 1.5 . . . . . . . . . . . 19288 1
31 DNH . 1 1 47 47 CYS N N 15 . . 1 1 47 47 CYS H H 1 . -4.755 . . 1.5 . . . . . . . . . . . 19288 1
32 DNH . 1 1 48 48 GLY N N 15 . . 1 1 48 48 GLY H H 1 . -5.768 . . 1.5 . . . . . . . . . . . 19288 1
33 DNH . 1 1 49 49 PHE N N 15 . . 1 1 49 49 PHE H H 1 . 21.811 . . 1.5 . . . . . . . . . . . 19288 1
34 DNH . 1 1 50 50 THR N N 15 . . 1 1 50 50 THR H H 1 . -8.589 . . 1.5 . . . . . . . . . . . 19288 1
35 DNH . 1 1 51 51 CYS N N 15 . . 1 1 51 51 CYS H H 1 . -15.168 . . 1.5 . . . . . . . . . . . 19288 1
36 DNH . 1 1 53 53 GLN N N 15 . . 1 1 53 53 GLN H H 1 . 2.983 . . 1.5 . . . . . . . . . . . 19288 1
37 DNH . 1 1 54 54 LYS N N 15 . . 1 1 54 54 LYS H H 1 . 15.701 . . 1.5 . . . . . . . . . . . 19288 1
38 DNH . 1 1 55 55 ALA N N 15 . . 1 1 55 55 ALA H H 1 . 19.863 . . 1.5 . . . . . . . . . . . 19288 1
39 DNH . 1 1 56 56 SER N N 15 . . 1 1 56 56 SER H H 1 . 20.663 . . 1.5 . . . . . . . . . . . 19288 1
40 DNH . 1 1 57 57 LEU N N 15 . . 1 1 57 57 LEU H H 1 . 14.529 . . 1.5 . . . . . . . . . . . 19288 1
41 DNH . 1 1 58 58 ASN N N 15 . . 1 1 58 58 ASN H H 1 . 18.649 . . 1.5 . . . . . . . . . . . 19288 1
42 DNH . 1 1 59 59 TRP N N 15 . . 1 1 59 59 TRP H H 1 . -1.072 . . 1.5 . . . . . . . . . . . 19288 1
43 DNH . 1 1 60 60 HIS N N 15 . . 1 1 60 60 HIS H H 1 . 0.563 . . 1.5 . . . . . . . . . . . 19288 1
44 DNH . 1 1 61 61 MET N N 15 . . 1 1 61 61 MET H H 1 . 17.064 . . 1.5 . . . . . . . . . . . 19288 1
45 DNH . 1 1 62 62 LYS N N 15 . . 1 1 62 62 LYS H H 1 . 17.142 . . 1.5 . . . . . . . . . . . 19288 1
46 DNH . 1 1 63 63 LYS N N 15 . . 1 1 63 63 LYS H H 1 . 25.901 . . 1.5 . . . . . . . . . . . 19288 1
47 DNH . 1 1 64 64 HIS N N 15 . . 1 1 64 64 HIS H H 1 . 9.607 . . 1.5 . . . . . . . . . . . 19288 1
48 DNH . 1 1 65 65 ASP N N 15 . . 1 1 65 65 ASP H H 1 . 0.757 . . 1.5 . . . . . . . . . . . 19288 1
49 DNH . 1 1 66 66 ALA N N 15 . . 1 1 66 66 ALA H H 1 . 0.722 . . 1.5 . . . . . . . . . . . 19288 1
50 DNH . 1 1 67 67 ASP N N 15 . . 1 1 67 67 ASP H H 1 . 2.877 . . 1.5 . . . . . . . . . . . 19288 1
51 DNH . 1 1 68 68 SER N N 15 . . 1 1 68 68 SER H H 1 . 1.784 . . 1.5 . . . . . . . . . . . 19288 1
52 DNH . 1 1 69 69 PHE N N 15 . . 1 1 69 69 PHE H H 1 . -2.871 . . 1.5 . . . . . . . . . . . 19288 1
53 DNH . 1 1 70 70 TYR N N 15 . . 1 1 70 70 TYR H H 1 . -2.759 . . 1.5 . . . . . . . . . . . 19288 1
54 DNH . 1 1 71 71 GLN N N 15 . . 1 1 71 71 GLN H H 1 . -5.682 . . 1.5 . . . . . . . . . . . 19288 1
55 DNH . 1 1 72 72 PHE N N 15 . . 1 1 72 72 PHE H H 1 . -4.749 . . 1.5 . . . . . . . . . . . 19288 1
56 DNH . 1 1 73 73 SER N N 15 . . 1 1 73 73 SER H H 1 . -4.174 . . 1.5 . . . . . . . . . . . 19288 1
57 DNH . 1 1 74 74 CYS N N 15 . . 1 1 74 74 CYS H H 1 . 0.922 . . 1.5 . . . . . . . . . . . 19288 1
58 DNH . 1 1 76 76 ILE N N 15 . . 1 1 76 76 ILE H H 1 . -8.194 . . 1.5 . . . . . . . . . . . 19288 1
59 DNH . 1 1 77 77 CYS N N 15 . . 1 1 77 77 CYS H H 1 . -7.383 . . 1.5 . . . . . . . . . . . 19288 1
60 DNH . 1 1 78 78 GLY N N 15 . . 1 1 78 78 GLY H H 1 . 1.198 . . 1.5 . . . . . . . . . . . 19288 1
61 DNH . 1 1 79 79 LYS N N 15 . . 1 1 79 79 LYS H H 1 . 13.913 . . 1.5 . . . . . . . . . . . 19288 1
62 DNH . 1 1 80 80 LYS N N 15 . . 1 1 80 80 LYS H H 1 . 4.131 . . 1.5 . . . . . . . . . . . 19288 1
63 DNH . 1 1 81 81 PHE N N 15 . . 1 1 81 81 PHE H H 1 . -7.334 . . 1.5 . . . . . . . . . . . 19288 1
64 DNH . 1 1 82 82 GLU N N 15 . . 1 1 82 82 GLU H H 1 . -8.012 . . 1.5 . . . . . . . . . . . 19288 1
65 DNH . 1 1 83 83 LYS N N 15 . . 1 1 83 83 LYS H H 1 . -3.886 . . 1.5 . . . . . . . . . . . 19288 1
66 DNH . 1 1 84 84 LYS N N 15 . . 1 1 84 84 LYS H H 1 . 0.367 . . 1.5 . . . . . . . . . . . 19288 1
67 DNH . 1 1 85 85 ASP N N 15 . . 1 1 85 85 ASP H H 1 . 3.377 . . 1.5 . . . . . . . . . . . 19288 1
68 DNH . 1 1 86 86 SER N N 15 . . 1 1 86 86 SER H H 1 . 9.833 . . 1.5 . . . . . . . . . . . 19288 1
69 DNH . 1 1 87 87 VAL N N 15 . . 1 1 87 87 VAL H H 1 . -2.016 . . 1.5 . . . . . . . . . . . 19288 1
70 DNH . 1 1 88 88 VAL N N 15 . . 1 1 88 88 VAL H H 1 . 2.875 . . 1.5 . . . . . . . . . . . 19288 1
71 DNH . 1 1 89 89 ALA N N 15 . . 1 1 89 89 ALA H H 1 . 9.689 . . 1.5 . . . . . . . . . . . 19288 1
72 DNH . 1 1 90 90 HIS N N 15 . . 1 1 90 90 HIS H H 1 . 5.609 . . 1.5 . . . . . . . . . . . 19288 1
73 DNH . 1 1 91 91 LYS N N 15 . . 1 1 91 91 LYS H H 1 . -0.770 . . 1.5 . . . . . . . . . . . 19288 1
74 DNH . 1 1 92 92 ALA N N 15 . . 1 1 92 92 ALA H H 1 . 4.768 . . 1.5 . . . . . . . . . . . 19288 1
75 DNH . 1 1 93 93 LYS N N 15 . . 1 1 93 93 LYS H H 1 . 10.280 . . 1.5 . . . . . . . . . . . 19288 1
76 DNH . 1 1 94 94 SER N N 15 . . 1 1 94 94 SER H H 1 . 0.416 . . 1.5 . . . . . . . . . . . 19288 1
77 DNH . 1 1 97 97 GLU N N 15 . . 1 1 97 97 GLU H H 1 . -2.508 . . 1.5 . . . . . . . . . . . 19288 1
78 DNH . 1 1 98 98 VAL N N 15 . . 1 1 98 98 VAL H H 1 . -1.042 . . 1.5 . . . . . . . . . . . 19288 1
stop_
save_
save_Polyacrylamide_Gel_RDC
_RDC_list.Sf_category RDCs
_RDC_list.Sf_framecode Polyacrylamide_Gel_RDC
_RDC_list.Entry_ID 19288
_RDC_list.ID 2
_RDC_list.Sample_condition_list_ID 1
_RDC_list.Sample_condition_list_label $sample_conditions_1
_RDC_list.Spectrometer_frequency_1H 600
_RDC_list.Bond_length_usage_flag .
_RDC_list.Dipolar_constraint_calib_method .
_RDC_list.Mol_align_tensor_axial_sym_mol .
_RDC_list.Mol_align_tensor_rhombic_mol .
_RDC_list.General_order_param_int_motions .
_RDC_list.Assumed_H_N_bond_length .
_RDC_list.Assumed_H_C_bond_length .
_RDC_list.Assumed_C_N_bond_length .
_RDC_list.Details .
_RDC_list.Text_data_format .
_RDC_list.Text_data .
loop_
_RDC_experiment.Experiment_ID
_RDC_experiment.Experiment_name
_RDC_experiment.Sample_ID
_RDC_experiment.Sample_label
_RDC_experiment.Sample_state
_RDC_experiment.Entry_ID
_RDC_experiment.RDC_list_ID
14 '2D 1H-15N J-modulation HSQC' . . . 19288 2
15 '2D 1H-15N J-modulation HSQC' . . . 19288 2
stop_
loop_
_RDC.ID
_RDC.RDC_code
_RDC.Assembly_atom_ID_1
_RDC.Entity_assembly_ID_1
_RDC.Entity_ID_1
_RDC.Comp_index_ID_1
_RDC.Seq_ID_1
_RDC.Comp_ID_1
_RDC.Atom_ID_1
_RDC.Atom_type_1
_RDC.Atom_isotope_number_1
_RDC.Ambiguity_code_1
_RDC.Assembly_atom_ID_2
_RDC.Entity_assembly_ID_2
_RDC.Entity_ID_2
_RDC.Comp_index_ID_2
_RDC.Seq_ID_2
_RDC.Comp_ID_2
_RDC.Atom_ID_2
_RDC.Atom_type_2
_RDC.Atom_isotope_number_2
_RDC.Ambiguity_code_2
_RDC.Val
_RDC.Val_min
_RDC.Val_max
_RDC.Val_err
_RDC.Val_bond_length
_RDC.Resonance_ID_1
_RDC.Resonance_ID_2
_RDC.Auth_entity_assembly_ID_1
_RDC.Auth_seq_ID_1
_RDC.Auth_comp_ID_1
_RDC.Auth_atom_ID_1
_RDC.Auth_entity_assembly_ID_2
_RDC.Auth_seq_ID_2
_RDC.Auth_comp_ID_2
_RDC.Auth_atom_ID_2
_RDC.Entry_ID
_RDC.RDC_list_ID
1 DNH . 1 1 12 12 ARG N N 15 . . 1 1 12 12 ARG H H 1 . 3.309 . . 1.5 . . . . . . . . . . . 19288 2
2 DNH . 1 1 13 13 ASP N N 15 . . 1 1 13 13 ASP H H 1 . 3.241 . . 1.5 . . . . . . . . . . . 19288 2
3 DNH . 1 1 14 14 TYR N N 15 . . 1 1 14 14 TYR H H 1 . 3.099 . . 1.5 . . . . . . . . . . . 19288 2
4 DNH . 1 1 15 15 ILE N N 15 . . 1 1 15 15 ILE H H 1 . 3.427 . . 1.5 . . . . . . . . . . . 19288 2
5 DNH . 1 1 16 16 CYS N N 15 . . 1 1 16 16 CYS H H 1 . 2.084 . . 1.5 . . . . . . . . . . . 19288 2
6 DNH . 1 1 17 17 GLU N N 15 . . 1 1 17 17 GLU H H 1 . 8.810 . . 1.5 . . . . . . . . . . . 19288 2
7 DNH . 1 1 18 18 TYR N N 15 . . 1 1 18 18 TYR H H 1 . 5.478 . . 1.5 . . . . . . . . . . . 19288 2
8 DNH . 1 1 19 19 CYS N N 15 . . 1 1 19 19 CYS H H 1 . 4.414 . . 1.5 . . . . . . . . . . . 19288 2
9 DNH . 1 1 20 20 ALA N N 15 . . 1 1 20 20 ALA H H 1 . 0.316 . . 1.5 . . . . . . . . . . . 19288 2
10 DNH . 1 1 21 21 ARG N N 15 . . 1 1 21 21 ARG H H 1 . -8.300 . . 1.5 . . . . . . . . . . . 19288 2
11 DNH . 1 1 22 22 ALA N N 15 . . 1 1 22 22 ALA H H 1 . 2.222 . . 1.5 . . . . . . . . . . . 19288 2
12 DNH . 1 1 23 23 PHE N N 15 . . 1 1 23 23 PHE H H 1 . 4.419 . . 1.5 . . . . . . . . . . . 19288 2
13 DNH . 1 1 25 25 SER N N 15 . . 1 1 25 25 SER H H 1 . -3.669 . . 1.5 . . . . . . . . . . . 19288 2
14 DNH . 1 1 26 26 SER N N 15 . . 1 1 26 26 SER H H 1 . -6.215 . . 1.5 . . . . . . . . . . . 19288 2
15 DNH . 1 1 28 28 ASN N N 15 . . 1 1 28 28 ASN H H 1 . -8.957 . . 1.5 . . . . . . . . . . . 19288 2
16 DNH . 1 1 29 29 LEU N N 15 . . 1 1 29 29 LEU H H 1 . -6.276 . . 1.5 . . . . . . . . . . . 19288 2
17 DNH . 1 1 30 30 ALA N N 15 . . 1 1 30 30 ALA H H 1 . -5.608 . . 1.5 . . . . . . . . . . . 19288 2
18 DNH . 1 1 31 31 VAL N N 15 . . 1 1 31 31 VAL H H 1 . -8.060 . . 1.5 . . . . . . . . . . . 19288 2
19 DNH . 1 1 32 32 HIS N N 15 . . 1 1 32 32 HIS H H 1 . -9.175 . . 1.5 . . . . . . . . . . . 19288 2
20 DNH . 1 1 33 33 ARG N N 15 . . 1 1 33 33 ARG H H 1 . -5.183 . . 1.5 . . . . . . . . . . . 19288 2
21 DNH . 1 1 34 34 MET N N 15 . . 1 1 34 34 MET H H 1 . -1.910 . . 1.5 . . . . . . . . . . . 19288 2
22 DNH . 1 1 35 35 ILE N N 15 . . 1 1 35 35 ILE H H 1 . -10.256 . . 1.5 . . . . . . . . . . . 19288 2
23 DNH . 1 1 36 36 HIS N N 15 . . 1 1 36 36 HIS H H 1 . -3.881 . . 1.5 . . . . . . . . . . . 19288 2
24 DNH . 1 1 38 38 GLY N N 15 . . 1 1 38 38 GLY H H 1 . -2.187 . . 1.5 . . . . . . . . . . . 19288 2
25 DNH . 1 1 39 39 GLU N N 15 . . 1 1 39 39 GLU H H 1 . -2.968 . . 1.5 . . . . . . . . . . . 19288 2
26 DNH . 1 1 40 40 LYS N N 15 . . 1 1 40 40 LYS H H 1 . 4.023 . . 1.5 . . . . . . . . . . . 19288 2
27 DNH . 1 1 42 42 LEU N N 15 . . 1 1 42 42 LEU H H 1 . 5.569 . . 1.5 . . . . . . . . . . . 19288 2
28 DNH . 1 1 43 43 GLN N N 15 . . 1 1 43 43 GLN H H 1 . 2.582 . . 1.5 . . . . . . . . . . . 19288 2
29 DNH . 1 1 44 44 CYS N N 15 . . 1 1 44 44 CYS H H 1 . 2.483 . . 1.5 . . . . . . . . . . . 19288 2
30 DNH . 1 1 45 45 GLU N N 15 . . 1 1 45 45 GLU H H 1 . 7.536 . . 1.5 . . . . . . . . . . . 19288 2
31 DNH . 1 1 46 46 ILE N N 15 . . 1 1 46 46 ILE H H 1 . 8.083 . . 1.5 . . . . . . . . . . . 19288 2
32 DNH . 1 1 47 47 CYS N N 15 . . 1 1 47 47 CYS H H 1 . 4.365 . . 1.5 . . . . . . . . . . . 19288 2
33 DNH . 1 1 48 48 GLY N N 15 . . 1 1 48 48 GLY H H 1 . 0.888 . . 1.5 . . . . . . . . . . . 19288 2
34 DNH . 1 1 49 49 PHE N N 15 . . 1 1 49 49 PHE H H 1 . -10.255 . . 1.5 . . . . . . . . . . . 19288 2
35 DNH . 1 1 50 50 THR N N 15 . . 1 1 50 50 THR H H 1 . 3.045 . . 1.5 . . . . . . . . . . . 19288 2
36 DNH . 1 1 51 51 CYS N N 15 . . 1 1 51 51 CYS H H 1 . 5.166 . . 1.5 . . . . . . . . . . . 19288 2
37 DNH . 1 1 53 53 GLN N N 15 . . 1 1 53 53 GLN H H 1 . -3.504 . . 1.5 . . . . . . . . . . . 19288 2
38 DNH . 1 1 55 55 ALA N N 15 . . 1 1 55 55 ALA H H 1 . -0.701 . . 1.5 . . . . . . . . . . . 19288 2
39 DNH . 1 1 56 56 SER N N 15 . . 1 1 56 56 SER H H 1 . -9.762 . . 1.5 . . . . . . . . . . . 19288 2
40 DNH . 1 1 57 57 LEU N N 15 . . 1 1 57 57 LEU H H 1 . -6.474 . . 1.5 . . . . . . . . . . . 19288 2
41 DNH . 1 1 58 58 ASN N N 15 . . 1 1 58 58 ASN H H 1 . -7.004 . . 1.5 . . . . . . . . . . . 19288 2
42 DNH . 1 1 59 59 TRP N N 15 . . 1 1 59 59 TRP H H 1 . -0.515 . . 1.5 . . . . . . . . . . . 19288 2
43 DNH . 1 1 60 60 HIS N N 15 . . 1 1 60 60 HIS H H 1 . -8.644 . . 1.5 . . . . . . . . . . . 19288 2
44 DNH . 1 1 61 61 MET N N 15 . . 1 1 61 61 MET H H 1 . -6.209 . . 1.5 . . . . . . . . . . . 19288 2
45 DNH . 1 1 62 62 LYS N N 15 . . 1 1 62 62 LYS H H 1 . -2.931 . . 1.5 . . . . . . . . . . . 19288 2
46 DNH . 1 1 63 63 LYS N N 15 . . 1 1 63 63 LYS H H 1 . -10.894 . . 1.5 . . . . . . . . . . . 19288 2
47 DNH . 1 1 64 64 HIS N N 15 . . 1 1 64 64 HIS H H 1 . -5.609 . . 1.5 . . . . . . . . . . . 19288 2
48 DNH . 1 1 65 65 ASP N N 15 . . 1 1 65 65 ASP H H 1 . 3.560 . . 1.5 . . . . . . . . . . . 19288 2
49 DNH . 1 1 66 66 ALA N N 15 . . 1 1 66 66 ALA H H 1 . -2.963 . . 1.5 . . . . . . . . . . . 19288 2
50 DNH . 1 1 67 67 ASP N N 15 . . 1 1 67 67 ASP H H 1 . -5.229 . . 1.5 . . . . . . . . . . . 19288 2
51 DNH . 1 1 68 68 SER N N 15 . . 1 1 68 68 SER H H 1 . 0.405 . . 1.5 . . . . . . . . . . . 19288 2
52 DNH . 1 1 69 69 PHE N N 15 . . 1 1 69 69 PHE H H 1 . -1.933 . . 1.5 . . . . . . . . . . . 19288 2
53 DNH . 1 1 70 70 TYR N N 15 . . 1 1 70 70 TYR H H 1 . -5.785 . . 1.5 . . . . . . . . . . . 19288 2
54 DNH . 1 1 71 71 GLN N N 15 . . 1 1 71 71 GLN H H 1 . 1.223 . . 1.5 . . . . . . . . . . . 19288 2
55 DNH . 1 1 72 72 PHE N N 15 . . 1 1 72 72 PHE H H 1 . -0.227 . . 1.5 . . . . . . . . . . . 19288 2
56 DNH . 1 1 73 73 SER N N 15 . . 1 1 73 73 SER H H 1 . -5.894 . . 1.5 . . . . . . . . . . . 19288 2
57 DNH . 1 1 74 74 CYS N N 15 . . 1 1 74 74 CYS H H 1 . -3.218 . . 1.5 . . . . . . . . . . . 19288 2
58 DNH . 1 1 76 76 ILE N N 15 . . 1 1 76 76 ILE H H 1 . 1.391 . . 1.5 . . . . . . . . . . . 19288 2
59 DNH . 1 1 77 77 CYS N N 15 . . 1 1 77 77 CYS H H 1 . -2.243 . . 1.5 . . . . . . . . . . . 19288 2
60 DNH . 1 1 78 78 GLY N N 15 . . 1 1 78 78 GLY H H 1 . -5.331 . . 1.5 . . . . . . . . . . . 19288 2
61 DNH . 1 1 79 79 LYS N N 15 . . 1 1 79 79 LYS H H 1 . 8.954 . . 1.5 . . . . . . . . . . . 19288 2
62 DNH . 1 1 80 80 LYS N N 15 . . 1 1 80 80 LYS H H 1 . -5.554 . . 1.5 . . . . . . . . . . . 19288 2
63 DNH . 1 1 81 81 PHE N N 15 . . 1 1 81 81 PHE H H 1 . -5.186 . . 1.5 . . . . . . . . . . . 19288 2
64 DNH . 1 1 82 82 GLU N N 15 . . 1 1 82 82 GLU H H 1 . -5.580 . . 1.5 . . . . . . . . . . . 19288 2
65 DNH . 1 1 83 83 LYS N N 15 . . 1 1 83 83 LYS H H 1 . -2.906 . . 1.5 . . . . . . . . . . . 19288 2
66 DNH . 1 1 84 84 LYS N N 15 . . 1 1 84 84 LYS H H 1 . 2.073 . . 1.5 . . . . . . . . . . . 19288 2
67 DNH . 1 1 85 85 ASP N N 15 . . 1 1 85 85 ASP H H 1 . 5.018 . . 1.5 . . . . . . . . . . . 19288 2
68 DNH . 1 1 86 86 SER N N 15 . . 1 1 86 86 SER H H 1 . 4.521 . . 1.5 . . . . . . . . . . . 19288 2
69 DNH . 1 1 87 87 VAL N N 15 . . 1 1 87 87 VAL H H 1 . -0.949 . . 1.5 . . . . . . . . . . . 19288 2
70 DNH . 1 1 88 88 VAL N N 15 . . 1 1 88 88 VAL H H 1 . 7.029 . . 1.5 . . . . . . . . . . . 19288 2
71 DNH . 1 1 89 89 ALA N N 15 . . 1 1 89 89 ALA H H 1 . 10.423 . . 1.5 . . . . . . . . . . . 19288 2
72 DNH . 1 1 90 90 HIS N N 15 . . 1 1 90 90 HIS H H 1 . 2.566 . . 1.5 . . . . . . . . . . . 19288 2
73 DNH . 1 1 91 91 LYS N N 15 . . 1 1 91 91 LYS H H 1 . 0.701 . . 1.5 . . . . . . . . . . . 19288 2
74 DNH . 1 1 92 92 ALA N N 15 . . 1 1 92 92 ALA H H 1 . 8.158 . . 1.5 . . . . . . . . . . . 19288 2
75 DNH . 1 1 93 93 LYS N N 15 . . 1 1 93 93 LYS H H 1 . 7.370 . . 1.5 . . . . . . . . . . . 19288 2
76 DNH . 1 1 94 94 SER N N 15 . . 1 1 94 94 SER H H 1 . 0.680 . . 1.5 . . . . . . . . . . . 19288 2
77 DNH . 1 1 95 95 HIS N N 15 . . 1 1 95 95 HIS H H 1 . -1.449 . . 1.5 . . . . . . . . . . . 19288 2
78 DNH . 1 1 97 97 GLU N N 15 . . 1 1 97 97 GLU H H 1 . -1.796 . . 1.5 . . . . . . . . . . . 19288 2
79 DNH . 1 1 98 98 VAL N N 15 . . 1 1 98 98 VAL H H 1 . 2.857 . . 1.5 . . . . . . . . . . . 19288 2
stop_
save_