data_15910
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15910
_Entry.Title
;
NMR solution structure of the Bacillus subtilis ClpC N-domain
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2008-08-04
_Entry.Accession_date 2008-08-04
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.8.116
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Douglas Kojetin . J. . 15910
2 Patrick McLaughlin . D. . 15910
3 Richele Thompson . J. . 15910
4 Mark Rance . . . 15910
5 John Cavanagh . . . 15910
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 'not applicable' 'not applicable' . 15910
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
HSP100/Clp/AAA+ . 15910
N-ClpCR . 15910
N-domain . 15910
PROTEIN . 15910
repeat . 15910
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
heteronucl_NOEs 2 15910
heteronucl_T1_relaxation 2 15910
heteronucl_T2_relaxation 2 15910
order_parameters 1 15910
RDCs 1 15910
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'heteronuclear NOE values' 236 15910
'residual dipolar couplings' 78 15910
'T1 relaxation values' 236 15910
'T2 relaxation values' 236 15910
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
2 . . 2010-06-02 2008-08-05 update BMRB 'edit assembly name' 15910
1 . . 2009-05-19 2008-08-05 original author 'original release' 15910
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 15910
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 19361434
_Citation.Full_citation .
_Citation.Title 'Structural and motional contributions of the Bacillus subtilis ClpC N-domain to adaptor protein interactions'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Mol. Biol.'
_Citation.Journal_name_full .
_Citation.Journal_volume 387
_Citation.Journal_issue 3
_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 639
_Citation.Page_last 652
_Citation.Year 2009
_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 Douglas Kojetin . J. . 15910 1
2 Patrick McLaughlin . D. . 15910 1
3 Richele Thompson . J. . 15910 1
4 David Dubnau . . . 15910 1
5 Peter Prepiak . . . 15910 1
6 Mark Rance . . . 15910 1
7 John Cavanagh . . . 15910 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 15910
_Assembly.ID 1
_Assembly.Name N-ClpCR
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 N-ClpCR 1 $N-ClpCR A . yes native no no . . . 15910 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_N-ClpCR
_Entity.Sf_category entity
_Entity.Sf_framecode N-ClpCR
_Entity.Entry_ID 15910
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name N-ClpCR
_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
;
HMMFGRFTERAQKVLALAQE
EALRLGHNNIGTEHILLGLV
REGEGIAAKALQALGLGSEK
IQKEVESLIGRGQEMSQTIH
YTPRAKKVIELSMDEARKLG
HSYVGTEHILLGLIREGEGV
AARVLNNLGVSLNKARQQVL
QLLGSN
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq
;
-1,H
1,M
2,M
...
143,G
144,S
145,N
;
_Entity.Polymer_author_seq_details 'One additional, unobservable residue (His) was added to the N-terminus of the protein as a consequence of the removal of the His tag.'
_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 146
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment 'Bacillus subtilis ClpC N-domain'
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-26
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no BMRB 15383 . NClpCR . . . . . 100.00 146 100.00 100.00 1.77e-95 . . . . 15910 1
2 no PDB 2K77 . "Nmr Solution Structure Of The Bacillus Subtilis Clpc N- Domain" . . . . . 100.00 146 100.00 100.00 1.77e-95 . . . . 15910 1
3 no PDB 2Y1Q . "Crystal Structure Of Clpc N-Terminal Domain" . . . . . 99.32 150 98.62 99.31 2.55e-93 . . . . 15910 1
4 no PDB 2Y1R . "Structure Of Meca121 & Clpc N-Domain Complex" . . . . . 99.32 149 100.00 100.00 2.09e-94 . . . . 15910 1
5 no PDB 3PXG . "Structure Of Meca121 And Clpc1-485 Complex" . . . . . 99.32 468 100.00 100.00 5.15e-93 . . . . 15910 1
6 no GB ALC83305 . "Clp protease ClpX [Bacillus gobiensis]" . . . . . 99.32 810 98.62 99.31 1.21e-87 . . . . 15910 1
7 no REF WP_053605144 . "ATP-dependent Clp protease ATP-binding subunit ClpC [Bacillus gobiensis]" . . . . . 99.32 810 98.62 99.31 1.21e-87 . . . . 15910 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 HIS . 15910 1
2 1 MET . 15910 1
3 2 MET . 15910 1
4 3 PHE . 15910 1
5 4 GLY . 15910 1
6 5 ARG . 15910 1
7 6 PHE . 15910 1
8 7 THR . 15910 1
9 8 GLU . 15910 1
10 9 ARG . 15910 1
11 10 ALA . 15910 1
12 11 GLN . 15910 1
13 12 LYS . 15910 1
14 13 VAL . 15910 1
15 14 LEU . 15910 1
16 15 ALA . 15910 1
17 16 LEU . 15910 1
18 17 ALA . 15910 1
19 18 GLN . 15910 1
20 19 GLU . 15910 1
21 20 GLU . 15910 1
22 21 ALA . 15910 1
23 22 LEU . 15910 1
24 23 ARG . 15910 1
25 24 LEU . 15910 1
26 25 GLY . 15910 1
27 26 HIS . 15910 1
28 27 ASN . 15910 1
29 28 ASN . 15910 1
30 29 ILE . 15910 1
31 30 GLY . 15910 1
32 31 THR . 15910 1
33 32 GLU . 15910 1
34 33 HIS . 15910 1
35 34 ILE . 15910 1
36 35 LEU . 15910 1
37 36 LEU . 15910 1
38 37 GLY . 15910 1
39 38 LEU . 15910 1
40 39 VAL . 15910 1
41 40 ARG . 15910 1
42 41 GLU . 15910 1
43 42 GLY . 15910 1
44 43 GLU . 15910 1
45 44 GLY . 15910 1
46 45 ILE . 15910 1
47 46 ALA . 15910 1
48 47 ALA . 15910 1
49 48 LYS . 15910 1
50 49 ALA . 15910 1
51 50 LEU . 15910 1
52 51 GLN . 15910 1
53 52 ALA . 15910 1
54 53 LEU . 15910 1
55 54 GLY . 15910 1
56 55 LEU . 15910 1
57 56 GLY . 15910 1
58 57 SER . 15910 1
59 58 GLU . 15910 1
60 59 LYS . 15910 1
61 60 ILE . 15910 1
62 61 GLN . 15910 1
63 62 LYS . 15910 1
64 63 GLU . 15910 1
65 64 VAL . 15910 1
66 65 GLU . 15910 1
67 66 SER . 15910 1
68 67 LEU . 15910 1
69 68 ILE . 15910 1
70 69 GLY . 15910 1
71 70 ARG . 15910 1
72 71 GLY . 15910 1
73 72 GLN . 15910 1
74 73 GLU . 15910 1
75 74 MET . 15910 1
76 75 SER . 15910 1
77 76 GLN . 15910 1
78 77 THR . 15910 1
79 78 ILE . 15910 1
80 79 HIS . 15910 1
81 80 TYR . 15910 1
82 81 THR . 15910 1
83 82 PRO . 15910 1
84 83 ARG . 15910 1
85 84 ALA . 15910 1
86 85 LYS . 15910 1
87 86 LYS . 15910 1
88 87 VAL . 15910 1
89 88 ILE . 15910 1
90 89 GLU . 15910 1
91 90 LEU . 15910 1
92 91 SER . 15910 1
93 92 MET . 15910 1
94 93 ASP . 15910 1
95 94 GLU . 15910 1
96 95 ALA . 15910 1
97 96 ARG . 15910 1
98 97 LYS . 15910 1
99 98 LEU . 15910 1
100 99 GLY . 15910 1
101 100 HIS . 15910 1
102 101 SER . 15910 1
103 102 TYR . 15910 1
104 103 VAL . 15910 1
105 104 GLY . 15910 1
106 105 THR . 15910 1
107 106 GLU . 15910 1
108 107 HIS . 15910 1
109 108 ILE . 15910 1
110 109 LEU . 15910 1
111 110 LEU . 15910 1
112 111 GLY . 15910 1
113 112 LEU . 15910 1
114 113 ILE . 15910 1
115 114 ARG . 15910 1
116 115 GLU . 15910 1
117 116 GLY . 15910 1
118 117 GLU . 15910 1
119 118 GLY . 15910 1
120 119 VAL . 15910 1
121 120 ALA . 15910 1
122 121 ALA . 15910 1
123 122 ARG . 15910 1
124 123 VAL . 15910 1
125 124 LEU . 15910 1
126 125 ASN . 15910 1
127 126 ASN . 15910 1
128 127 LEU . 15910 1
129 128 GLY . 15910 1
130 129 VAL . 15910 1
131 130 SER . 15910 1
132 131 LEU . 15910 1
133 132 ASN . 15910 1
134 133 LYS . 15910 1
135 134 ALA . 15910 1
136 135 ARG . 15910 1
137 136 GLN . 15910 1
138 137 GLN . 15910 1
139 138 VAL . 15910 1
140 139 LEU . 15910 1
141 140 GLN . 15910 1
142 141 LEU . 15910 1
143 142 LEU . 15910 1
144 143 GLY . 15910 1
145 144 SER . 15910 1
146 145 ASN . 15910 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
. HIS 1 1 15910 1
. MET 2 2 15910 1
. MET 3 3 15910 1
. PHE 4 4 15910 1
. GLY 5 5 15910 1
. ARG 6 6 15910 1
. PHE 7 7 15910 1
. THR 8 8 15910 1
. GLU 9 9 15910 1
. ARG 10 10 15910 1
. ALA 11 11 15910 1
. GLN 12 12 15910 1
. LYS 13 13 15910 1
. VAL 14 14 15910 1
. LEU 15 15 15910 1
. ALA 16 16 15910 1
. LEU 17 17 15910 1
. ALA 18 18 15910 1
. GLN 19 19 15910 1
. GLU 20 20 15910 1
. GLU 21 21 15910 1
. ALA 22 22 15910 1
. LEU 23 23 15910 1
. ARG 24 24 15910 1
. LEU 25 25 15910 1
. GLY 26 26 15910 1
. HIS 27 27 15910 1
. ASN 28 28 15910 1
. ASN 29 29 15910 1
. ILE 30 30 15910 1
. GLY 31 31 15910 1
. THR 32 32 15910 1
. GLU 33 33 15910 1
. HIS 34 34 15910 1
. ILE 35 35 15910 1
. LEU 36 36 15910 1
. LEU 37 37 15910 1
. GLY 38 38 15910 1
. LEU 39 39 15910 1
. VAL 40 40 15910 1
. ARG 41 41 15910 1
. GLU 42 42 15910 1
. GLY 43 43 15910 1
. GLU 44 44 15910 1
. GLY 45 45 15910 1
. ILE 46 46 15910 1
. ALA 47 47 15910 1
. ALA 48 48 15910 1
. LYS 49 49 15910 1
. ALA 50 50 15910 1
. LEU 51 51 15910 1
. GLN 52 52 15910 1
. ALA 53 53 15910 1
. LEU 54 54 15910 1
. GLY 55 55 15910 1
. LEU 56 56 15910 1
. GLY 57 57 15910 1
. SER 58 58 15910 1
. GLU 59 59 15910 1
. LYS 60 60 15910 1
. ILE 61 61 15910 1
. GLN 62 62 15910 1
. LYS 63 63 15910 1
. GLU 64 64 15910 1
. VAL 65 65 15910 1
. GLU 66 66 15910 1
. SER 67 67 15910 1
. LEU 68 68 15910 1
. ILE 69 69 15910 1
. GLY 70 70 15910 1
. ARG 71 71 15910 1
. GLY 72 72 15910 1
. GLN 73 73 15910 1
. GLU 74 74 15910 1
. MET 75 75 15910 1
. SER 76 76 15910 1
. GLN 77 77 15910 1
. THR 78 78 15910 1
. ILE 79 79 15910 1
. HIS 80 80 15910 1
. TYR 81 81 15910 1
. THR 82 82 15910 1
. PRO 83 83 15910 1
. ARG 84 84 15910 1
. ALA 85 85 15910 1
. LYS 86 86 15910 1
. LYS 87 87 15910 1
. VAL 88 88 15910 1
. ILE 89 89 15910 1
. GLU 90 90 15910 1
. LEU 91 91 15910 1
. SER 92 92 15910 1
. MET 93 93 15910 1
. ASP 94 94 15910 1
. GLU 95 95 15910 1
. ALA 96 96 15910 1
. ARG 97 97 15910 1
. LYS 98 98 15910 1
. LEU 99 99 15910 1
. GLY 100 100 15910 1
. HIS 101 101 15910 1
. SER 102 102 15910 1
. TYR 103 103 15910 1
. VAL 104 104 15910 1
. GLY 105 105 15910 1
. THR 106 106 15910 1
. GLU 107 107 15910 1
. HIS 108 108 15910 1
. ILE 109 109 15910 1
. LEU 110 110 15910 1
. LEU 111 111 15910 1
. GLY 112 112 15910 1
. LEU 113 113 15910 1
. ILE 114 114 15910 1
. ARG 115 115 15910 1
. GLU 116 116 15910 1
. GLY 117 117 15910 1
. GLU 118 118 15910 1
. GLY 119 119 15910 1
. VAL 120 120 15910 1
. ALA 121 121 15910 1
. ALA 122 122 15910 1
. ARG 123 123 15910 1
. VAL 124 124 15910 1
. LEU 125 125 15910 1
. ASN 126 126 15910 1
. ASN 127 127 15910 1
. LEU 128 128 15910 1
. GLY 129 129 15910 1
. VAL 130 130 15910 1
. SER 131 131 15910 1
. LEU 132 132 15910 1
. ASN 133 133 15910 1
. LYS 134 134 15910 1
. ALA 135 135 15910 1
. ARG 136 136 15910 1
. GLN 137 137 15910 1
. GLN 138 138 15910 1
. VAL 139 139 15910 1
. LEU 140 140 15910 1
. GLN 141 141 15910 1
. LEU 142 142 15910 1
. LEU 143 143 15910 1
. GLY 144 144 15910 1
. SER 145 145 15910 1
. ASN 146 146 15910 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 15910
_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 $N-ClpCR . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 15910 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 15910
_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 $N-ClpCR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET-16b . . . . . . 15910 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 15910
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 N-ClpCR '[U-13C; U-15N]' . . 1 $N-ClpCR . . 0.5-1.0 . . mM . . . . 15910 1
2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15910 1
3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15910 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 15910
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 N-ClpCR [U-15N] . . 1 $N-ClpCR . . . 0.5 1.0 mM . . . . 15910 2
2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15910 2
3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15910 2
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 15910
_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' 50 . mM 15910 1
pH 5.5 . pH 15910 1
pressure 1 . atm 15910 1
temperature 305.15 . K 15910 1
stop_
save_
############################
# Computer software used #
############################
save_ARIA
_Software.Sf_category software
_Software.Sf_framecode ARIA
_Software.Entry_ID 15910
_Software.ID 1
_Software.Name ARIA
_Software.Version 1.2
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Linge, O'Donoghue and Nilges' . . 15910 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 15910 1
'structure solution' 15910 1
stop_
save_
save_AMBER
_Software.Sf_category software
_Software.Sf_framecode AMBER
_Software.Entry_ID 15910
_Software.ID 2
_Software.Name AMBER
_Software.Version 9
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 15910 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 15910 2
stop_
save_
save_relax
_Software.Sf_category software
_Software.Sf_framecode relax
_Software.Entry_ID 15910
_Software.ID 3
_Software.Name Relax
_Software.Version 1.2
_Software.Details
;
d'Auvergne et al. Optimisation of NMR dynamic models I. Minimisation algorithms
and their performance within the model-free and Brownian rotational diffusion
spaces. J. Biomol. NMR (2008) vol. 40 (2) pp. 107-19; http://www.nmr-relax.com/
;
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'd'Auvergne and Gooley' . . 15910 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'model-free analysis of relaxation data' 15910 3
stop_
save_
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 15910
_Software.ID 4
_Software.Name CNS
_Software.Version 1.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15910 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 15910 4
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 15910
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details 'cryogenically cooled triple resonance probe'
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 15910
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details 'conventional triple resonance probe'
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_3
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_3
_NMR_spectrometer.Entry_ID 15910
_NMR_spectrometer.ID 3
_NMR_spectrometer.Details 'cryogenically cooled triple resonance probe'
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 15910
_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 . 800 'cryogenically cooled triple resonance probe' . . 15910 1
2 spectrometer_2 Varian INOVA . 600 'conventional triple resonance probe' . . 15910 1
3 spectrometer_3 Varian INOVA . 500 'cryogenically cooled triple resonance probe' . . 15910 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 15910
_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,1H]-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15910 1
2 '3D [1H,15N,1H]-NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15910 1
3 '3D [1H,13C,1H]-NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15910 1
4 '2D [1H,13C]-NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15910 1
5 '4D [1H,13C]-HMQC-NOESY-[1H,13C]-HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15910 1
6 '4D [1H,13C]-HMQC-NOESY-[1H,15N]-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15910 1
7 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15910 1
8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15910 1
9 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15910 1
stop_
save_
################################
# Residual dipolar couplings #
################################
save_RDC_list_1
_RDC_list.Sf_category RDCs
_RDC_list.Sf_framecode RDC_list_1
_RDC_list.Entry_ID 15910
_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 600.7904943
_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 'isotropic data collected at 499.8824609 MHz; anisotropic data collected at 600.7904943 MHz.'
_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
9 '2D 1H-15N HSQC' 2 $sample_2 . 15910 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 7 7 PHE N N 15 . . 1 1 7 7 PHE H H 1 . -6.6214 . . 1.0000 . . . . . . . . . . . 15910 1
2 DNH . 1 1 8 8 THR N N 15 . . 1 1 8 8 THR H H 1 . 8.7236 . . 1.0000 . . . . . . . . . . . 15910 1
3 DNH . 1 1 12 12 GLN N N 15 . . 1 1 12 12 GLN H H 1 . -0.9773 . . 1.0000 . . . . . . . . . . . 15910 1
4 DNH . 1 1 14 14 VAL N N 15 . . 1 1 14 14 VAL H H 1 . -12.5034 . . 1.0000 . . . . . . . . . . . 15910 1
5 DNH . 1 1 15 15 LEU N N 15 . . 1 1 15 15 LEU H H 1 . -3.1190 . . 1.0000 . . . . . . . . . . . 15910 1
6 DNH . 1 1 16 16 ALA N N 15 . . 1 1 16 16 ALA H H 1 . -6.1951 . . 1.0000 . . . . . . . . . . . 15910 1
7 DNH . 1 1 17 17 LEU N N 15 . . 1 1 17 17 LEU H H 1 . -11.8604 . . 1.0000 . . . . . . . . . . . 15910 1
8 DNH . 1 1 18 18 ALA N N 15 . . 1 1 18 18 ALA H H 1 . -6.4241 . . 1.0000 . . . . . . . . . . . 15910 1
9 DNH . 1 1 19 19 GLN N N 15 . . 1 1 19 19 GLN H H 1 . 0.1238 . . 1.0000 . . . . . . . . . . . 15910 1
10 DNH . 1 1 20 20 GLU N N 15 . . 1 1 20 20 GLU H H 1 . -9.1948 . . 1.0000 . . . . . . . . . . . 15910 1
11 DNH . 1 1 21 21 GLU N N 15 . . 1 1 21 21 GLU H H 1 . -8.2821 . . 1.0000 . . . . . . . . . . . 15910 1
12 DNH . 1 1 22 22 ALA N N 15 . . 1 1 22 22 ALA H H 1 . -2.2839 . . 1.0000 . . . . . . . . . . . 15910 1
13 DNH . 1 1 23 23 LEU N N 15 . . 1 1 23 23 LEU H H 1 . -2.8856 . . 1.0000 . . . . . . . . . . . 15910 1
14 DNH . 1 1 24 24 ARG N N 15 . . 1 1 24 24 ARG H H 1 . -15.7262 . . 1.0000 . . . . . . . . . . . 15910 1
15 DNH . 1 1 27 27 HIS N N 15 . . 1 1 27 27 HIS H H 1 . 0.9197 . . 1.0000 . . . . . . . . . . . 15910 1
16 DNH . 1 1 28 28 ASN N N 15 . . 1 1 28 28 ASN H H 1 . 3.1124 . . 1.0000 . . . . . . . . . . . 15910 1
17 DNH . 1 1 31 31 GLY N N 15 . . 1 1 31 31 GLY H H 1 . 1.8514 . . 1.0000 . . . . . . . . . . . 15910 1
18 DNH . 1 1 33 33 GLU N N 15 . . 1 1 33 33 GLU H H 1 . 0.3914 . . 1.0000 . . . . . . . . . . . 15910 1
19 DNH . 1 1 34 34 HIS N N 15 . . 1 1 34 34 HIS H H 1 . 2.3270 . . 1.0000 . . . . . . . . . . . 15910 1
20 DNH . 1 1 37 37 LEU N N 15 . . 1 1 37 37 LEU H H 1 . 0.6596 . . 1.0000 . . . . . . . . . . . 15910 1
21 DNH . 1 1 38 38 GLY N N 15 . . 1 1 38 38 GLY H H 1 . 5.7136 . . 1.0000 . . . . . . . . . . . 15910 1
22 DNH . 1 1 39 39 LEU N N 15 . . 1 1 39 39 LEU H H 1 . 11.8925 . . 1.0000 . . . . . . . . . . . 15910 1
23 DNH . 1 1 42 42 GLU N N 15 . . 1 1 42 42 GLU H H 1 . 13.4949 . . 1.0000 . . . . . . . . . . . 15910 1
24 DNH . 1 1 45 45 GLY N N 15 . . 1 1 45 45 GLY H H 1 . -9.3127 . . 1.0000 . . . . . . . . . . . 15910 1
25 DNH . 1 1 46 46 ILE N N 15 . . 1 1 46 46 ILE H H 1 . 1.8408 . . 1.0000 . . . . . . . . . . . 15910 1
26 DNH . 1 1 50 50 ALA N N 15 . . 1 1 50 50 ALA H H 1 . -1.3708 . . 1.0000 . . . . . . . . . . . 15910 1
27 DNH . 1 1 51 51 LEU N N 15 . . 1 1 51 51 LEU H H 1 . 1.2750 . . 1.0000 . . . . . . . . . . . 15910 1
28 DNH . 1 1 53 53 ALA N N 15 . . 1 1 53 53 ALA H H 1 . 0.2959 . . 1.0000 . . . . . . . . . . . 15910 1
29 DNH . 1 1 54 54 LEU N N 15 . . 1 1 54 54 LEU H H 1 . -3.9888 . . 1.0000 . . . . . . . . . . . 15910 1
30 DNH . 1 1 55 55 GLY N N 15 . . 1 1 55 55 GLY H H 1 . 11.6645 . . 1.0000 . . . . . . . . . . . 15910 1
31 DNH . 1 1 58 58 SER N N 15 . . 1 1 58 58 SER H H 1 . 7.7997 . . 1.0000 . . . . . . . . . . . 15910 1
32 DNH . 1 1 59 59 GLU N N 15 . . 1 1 59 59 GLU H H 1 . -0.5217 . . 1.0000 . . . . . . . . . . . 15910 1
33 DNH . 1 1 60 60 LYS N N 15 . . 1 1 60 60 LYS H H 1 . -2.8256 . . 1.0000 . . . . . . . . . . . 15910 1
34 DNH . 1 1 62 62 GLN N N 15 . . 1 1 62 62 GLN H H 1 . 5.1291 . . 1.0000 . . . . . . . . . . . 15910 1
35 DNH . 1 1 64 64 GLU N N 15 . . 1 1 64 64 GLU H H 1 . -1.8320 . . 1.0000 . . . . . . . . . . . 15910 1
36 DNH . 1 1 65 65 VAL N N 15 . . 1 1 65 65 VAL H H 1 . 6.6450 . . 1.0000 . . . . . . . . . . . 15910 1
37 DNH . 1 1 66 66 GLU N N 15 . . 1 1 66 66 GLU H H 1 . 1.2858 . . 1.0000 . . . . . . . . . . . 15910 1
38 DNH . 1 1 67 67 SER N N 15 . . 1 1 67 67 SER H H 1 . -9.4180 . . 1.0000 . . . . . . . . . . . 15910 1
39 DNH . 1 1 68 68 LEU N N 15 . . 1 1 68 68 LEU H H 1 . 4.6476 . . 1.0000 . . . . . . . . . . . 15910 1
40 DNH . 1 1 69 69 ILE N N 15 . . 1 1 69 69 ILE H H 1 . 3.1936 . . 1.0000 . . . . . . . . . . . 15910 1
41 DNH . 1 1 80 80 HIS N N 15 . . 1 1 80 80 HIS H H 1 . 1.8166 . . 1.0000 . . . . . . . . . . . 15910 1
42 DNH . 1 1 81 81 TYR N N 15 . . 1 1 81 81 TYR H H 1 . 1.6275 . . 1.0000 . . . . . . . . . . . 15910 1
43 DNH . 1 1 82 82 THR N N 15 . . 1 1 82 82 THR H H 1 . -0.6196 . . 1.0000 . . . . . . . . . . . 15910 1
44 DNH . 1 1 84 84 ARG N N 15 . . 1 1 84 84 ARG H H 1 . -7.6132 . . 1.0000 . . . . . . . . . . . 15910 1
45 DNH . 1 1 85 85 ALA N N 15 . . 1 1 85 85 ALA H H 1 . -14.2507 . . 1.0000 . . . . . . . . . . . 15910 1
46 DNH . 1 1 87 87 LYS N N 15 . . 1 1 87 87 LYS H H 1 . -6.8600 . . 1.0000 . . . . . . . . . . . 15910 1
47 DNH . 1 1 89 89 ILE N N 15 . . 1 1 89 89 ILE H H 1 . -10.8362 . . 1.0000 . . . . . . . . . . . 15910 1
48 DNH . 1 1 90 90 GLU N N 15 . . 1 1 90 90 GLU H H 1 . -7.5504 . . 1.0000 . . . . . . . . . . . 15910 1
49 DNH . 1 1 91 91 LEU N N 15 . . 1 1 91 91 LEU H H 1 . -8.7601 . . 1.0000 . . . . . . . . . . . 15910 1
50 DNH . 1 1 93 93 MET N N 15 . . 1 1 93 93 MET H H 1 . -8.6100 . . 1.0000 . . . . . . . . . . . 15910 1
51 DNH . 1 1 94 94 ASP N N 15 . . 1 1 94 94 ASP H H 1 . -9.0787 . . 1.0000 . . . . . . . . . . . 15910 1
52 DNH . 1 1 96 96 ALA N N 15 . . 1 1 96 96 ALA H H 1 . -16.4530 . . 1.0000 . . . . . . . . . . . 15910 1
53 DNH . 1 1 97 97 ARG N N 15 . . 1 1 97 97 ARG H H 1 . -9.9344 . . 1.0000 . . . . . . . . . . . 15910 1
54 DNH . 1 1 102 102 SER N N 15 . . 1 1 102 102 SER H H 1 . 3.9031 . . 1.0000 . . . . . . . . . . . 15910 1
55 DNH . 1 1 103 103 TYR N N 15 . . 1 1 103 103 TYR H H 1 . -5.9639 . . 1.0000 . . . . . . . . . . . 15910 1
56 DNH . 1 1 105 105 GLY N N 15 . . 1 1 105 105 GLY H H 1 . 1.1650 . . 1.0000 . . . . . . . . . . . 15910 1
57 DNH . 1 1 107 107 GLU N N 15 . . 1 1 107 107 GLU H H 1 . 8.1682 . . 1.0000 . . . . . . . . . . . 15910 1
58 DNH . 1 1 108 108 HIS N N 15 . . 1 1 108 108 HIS H H 1 . 14.7542 . . 1.0000 . . . . . . . . . . . 15910 1
59 DNH . 1 1 110 110 LEU N N 15 . . 1 1 110 110 LEU H H 1 . 10.2463 . . 1.0000 . . . . . . . . . . . 15910 1
60 DNH . 1 1 111 111 LEU N N 15 . . 1 1 111 111 LEU H H 1 . 10.2668 . . 1.0000 . . . . . . . . . . . 15910 1
61 DNH . 1 1 112 112 GLY N N 15 . . 1 1 112 112 GLY H H 1 . 14.7801 . . 1.0000 . . . . . . . . . . . 15910 1
62 DNH . 1 1 113 113 LEU N N 15 . . 1 1 113 113 LEU H H 1 . 12.6704 . . 1.0000 . . . . . . . . . . . 15910 1
63 DNH . 1 1 119 119 GLY N N 15 . . 1 1 119 119 GLY H H 1 . -0.2407 . . 1.0000 . . . . . . . . . . . 15910 1
64 DNH . 1 1 120 120 VAL N N 15 . . 1 1 120 120 VAL H H 1 . -7.9184 . . 1.0000 . . . . . . . . . . . 15910 1
65 DNH . 1 1 121 121 ALA N N 15 . . 1 1 121 121 ALA H H 1 . -5.5969 . . 1.0000 . . . . . . . . . . . 15910 1
66 DNH . 1 1 122 122 ALA N N 15 . . 1 1 122 122 ALA H H 1 . -1.9199 . . 1.0000 . . . . . . . . . . . 15910 1
67 DNH . 1 1 126 126 ASN N N 15 . . 1 1 126 126 ASN H H 1 . -8.2167 . . 1.0000 . . . . . . . . . . . 15910 1
68 DNH . 1 1 127 127 ASN N N 15 . . 1 1 127 127 ASN H H 1 . -7.7518 . . 1.0000 . . . . . . . . . . . 15910 1
69 DNH . 1 1 128 128 LEU N N 15 . . 1 1 128 128 LEU H H 1 . -1.5410 . . 1.0000 . . . . . . . . . . . 15910 1
70 DNH . 1 1 130 130 VAL N N 15 . . 1 1 130 130 VAL H H 1 . -13.3793 . . 1.0000 . . . . . . . . . . . 15910 1
71 DNH . 1 1 132 132 LEU N N 15 . . 1 1 132 132 LEU H H 1 . 9.9048 . . 1.0000 . . . . . . . . . . . 15910 1
72 DNH . 1 1 133 133 ASN N N 15 . . 1 1 133 133 ASN H H 1 . 11.7558 . . 1.0000 . . . . . . . . . . . 15910 1
73 DNH . 1 1 134 134 LYS N N 15 . . 1 1 134 134 LYS H H 1 . 7.1516 . . 1.0000 . . . . . . . . . . . 15910 1
74 DNH . 1 1 135 135 ALA N N 15 . . 1 1 135 135 ALA H H 1 . 14.0758 . . 1.0000 . . . . . . . . . . . 15910 1
75 DNH . 1 1 137 137 GLN N N 15 . . 1 1 137 137 GLN H H 1 . 10.3389 . . 1.0000 . . . . . . . . . . . 15910 1
76 DNH . 1 1 138 138 GLN N N 15 . . 1 1 138 138 GLN H H 1 . 4.5895 . . 1.0000 . . . . . . . . . . . 15910 1
77 DNH . 1 1 140 140 LEU N N 15 . . 1 1 140 140 LEU H H 1 . 13.7039 . . 1.0000 . . . . . . . . . . . 15910 1
78 DNH . 1 1 142 142 LEU N N 15 . . 1 1 142 142 LEU H H 1 . 5.6317 . . 1.0000 . . . . . . . . . . . 15910 1
stop_
save_
##############################
# Heteronuclear NOE values #
##############################
save_heteronuclear_noe_list_1
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1
_Heteronucl_NOE_list.Entry_ID 15910
_Heteronucl_NOE_list.ID 1
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_NOE_list.Spectrometer_frequency_1H 499.8824609
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities'
_Heteronucl_NOE_list.NOE_ref_val 1
_Heteronucl_NOE_list.NOE_ref_description .
_Heteronucl_NOE_list.Details .
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
loop_
_Heteronucl_NOE_experiment.Experiment_ID
_Heteronucl_NOE_experiment.Experiment_name
_Heteronucl_NOE_experiment.Sample_ID
_Heteronucl_NOE_experiment.Sample_label
_Heteronucl_NOE_experiment.Sample_state
_Heteronucl_NOE_experiment.Entry_ID
_Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID
7 '2D 1H-15N HSQC' . . . 15910 1
stop_
loop_
_Heteronucl_NOE.ID
_Heteronucl_NOE.Assembly_atom_ID_1
_Heteronucl_NOE.Entity_assembly_ID_1
_Heteronucl_NOE.Entity_ID_1
_Heteronucl_NOE.Comp_index_ID_1
_Heteronucl_NOE.Seq_ID_1
_Heteronucl_NOE.Comp_ID_1
_Heteronucl_NOE.Atom_ID_1
_Heteronucl_NOE.Atom_type_1
_Heteronucl_NOE.Atom_isotope_number_1
_Heteronucl_NOE.Assembly_atom_ID_2
_Heteronucl_NOE.Entity_assembly_ID_2
_Heteronucl_NOE.Entity_ID_2
_Heteronucl_NOE.Comp_index_ID_2
_Heteronucl_NOE.Seq_ID_2
_Heteronucl_NOE.Comp_ID_2
_Heteronucl_NOE.Atom_ID_2
_Heteronucl_NOE.Atom_type_2
_Heteronucl_NOE.Atom_isotope_number_2
_Heteronucl_NOE.Val
_Heteronucl_NOE.Val_err
_Heteronucl_NOE.Resonance_ID_1
_Heteronucl_NOE.Resonance_ID_2
_Heteronucl_NOE.Auth_entity_assembly_ID_1
_Heteronucl_NOE.Auth_seq_ID_1
_Heteronucl_NOE.Auth_comp_ID_1
_Heteronucl_NOE.Auth_atom_ID_1
_Heteronucl_NOE.Auth_entity_assembly_ID_2
_Heteronucl_NOE.Auth_seq_ID_2
_Heteronucl_NOE.Auth_comp_ID_2
_Heteronucl_NOE.Auth_atom_ID_2
_Heteronucl_NOE.Entry_ID
_Heteronucl_NOE.Heteronucl_NOE_list_ID
1 . 1 1 3 3 MET N N 15 . 1 1 3 3 MET H H 1 -0.2870 0.0259 . . . . . . . . . . 15910 1
2 . 1 1 5 5 GLY N N 15 . 1 1 5 5 GLY H H 1 0.3957 0.0143 . . . . . . . . . . 15910 1
3 . 1 1 6 6 ARG N N 15 . 1 1 6 6 ARG H H 1 0.6146 0.0218 . . . . . . . . . . 15910 1
4 . 1 1 7 7 PHE N N 15 . 1 1 7 7 PHE H H 1 0.7131 0.0245 . . . . . . . . . . 15910 1
5 . 1 1 8 8 THR N N 15 . 1 1 8 8 THR H H 1 0.7689 0.0284 . . . . . . . . . . 15910 1
6 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.8507 0.0278 . . . . . . . . . . 15910 1
7 . 1 1 10 10 ARG N N 15 . 1 1 10 10 ARG H H 1 0.7480 0.0323 . . . . . . . . . . 15910 1
8 . 1 1 11 11 ALA N N 15 . 1 1 11 11 ALA H H 1 0.8151 0.0291 . . . . . . . . . . 15910 1
9 . 1 1 12 12 GLN N N 15 . 1 1 12 12 GLN H H 1 0.7719 0.0264 . . . . . . . . . . 15910 1
10 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.7802 0.0636 . . . . . . . . . . 15910 1
11 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.7888 0.0260 . . . . . . . . . . 15910 1
12 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.8089 0.0325 . . . . . . . . . . 15910 1
13 . 1 1 16 16 ALA N N 15 . 1 1 16 16 ALA H H 1 0.7963 0.0235 . . . . . . . . . . 15910 1
14 . 1 1 17 17 LEU N N 15 . 1 1 17 17 LEU H H 1 0.7792 0.0286 . . . . . . . . . . 15910 1
15 . 1 1 18 18 ALA N N 15 . 1 1 18 18 ALA H H 1 0.7751 0.0230 . . . . . . . . . . 15910 1
16 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.7890 0.0239 . . . . . . . . . . 15910 1
17 . 1 1 20 20 GLU N N 15 . 1 1 20 20 GLU H H 1 0.7662 0.0226 . . . . . . . . . . 15910 1
18 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.8047 0.0274 . . . . . . . . . . 15910 1
19 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 0.7892 0.0233 . . . . . . . . . . 15910 1
20 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.7619 0.0244 . . . . . . . . . . 15910 1
21 . 1 1 24 24 ARG N N 15 . 1 1 24 24 ARG H H 1 0.7922 0.0229 . . . . . . . . . . 15910 1
22 . 1 1 25 25 LEU N N 15 . 1 1 25 25 LEU H H 1 0.7622 0.0308 . . . . . . . . . . 15910 1
23 . 1 1 26 26 GLY N N 15 . 1 1 26 26 GLY H H 1 0.7634 0.0221 . . . . . . . . . . 15910 1
24 . 1 1 27 27 HIS N N 15 . 1 1 27 27 HIS H H 1 0.7862 0.0251 . . . . . . . . . . 15910 1
25 . 1 1 28 28 ASN N N 15 . 1 1 28 28 ASN H H 1 0.7215 0.0309 . . . . . . . . . . 15910 1
26 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.6940 0.0229 . . . . . . . . . . 15910 1
27 . 1 1 30 30 ILE N N 15 . 1 1 30 30 ILE H H 1 0.7497 0.0378 . . . . . . . . . . 15910 1
28 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.7955 0.0624 . . . . . . . . . . 15910 1
29 . 1 1 33 33 GLU N N 15 . 1 1 33 33 GLU H H 1 0.8233 0.0353 . . . . . . . . . . 15910 1
30 . 1 1 34 34 HIS N N 15 . 1 1 34 34 HIS H H 1 0.7827 0.0341 . . . . . . . . . . 15910 1
31 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.7958 0.0249 . . . . . . . . . . 15910 1
32 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.8025 0.0280 . . . . . . . . . . 15910 1
33 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.7837 0.0242 . . . . . . . . . . 15910 1
34 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.7920 0.0227 . . . . . . . . . . 15910 1
35 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.7858 0.0270 . . . . . . . . . . 15910 1
36 . 1 1 41 41 ARG N N 15 . 1 1 41 41 ARG H H 1 0.7543 0.0293 . . . . . . . . . . 15910 1
37 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.7832 0.0239 . . . . . . . . . . 15910 1
38 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.7456 0.0458 . . . . . . . . . . 15910 1
39 . 1 1 45 45 GLY N N 15 . 1 1 45 45 GLY H H 1 0.7985 0.0729 . . . . . . . . . . 15910 1
40 . 1 1 46 46 ILE N N 15 . 1 1 46 46 ILE H H 1 0.7463 0.0407 . . . . . . . . . . 15910 1
41 . 1 1 47 47 ALA N N 15 . 1 1 47 47 ALA H H 1 0.8026 0.0259 . . . . . . . . . . 15910 1
42 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.7855 0.0229 . . . . . . . . . . 15910 1
43 . 1 1 50 50 ALA N N 15 . 1 1 50 50 ALA H H 1 0.7679 0.0216 . . . . . . . . . . 15910 1
44 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 0.7527 0.0185 . . . . . . . . . . 15910 1
45 . 1 1 54 54 LEU N N 15 . 1 1 54 54 LEU H H 1 0.7513 0.0254 . . . . . . . . . . 15910 1
46 . 1 1 55 55 GLY N N 15 . 1 1 55 55 GLY H H 1 0.7670 0.0215 . . . . . . . . . . 15910 1
47 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.5212 0.0181 . . . . . . . . . . 15910 1
48 . 1 1 58 58 SER N N 15 . 1 1 58 58 SER H H 1 0.7381 0.0207 . . . . . . . . . . 15910 1
49 . 1 1 59 59 GLU N N 15 . 1 1 59 59 GLU H H 1 0.7890 0.0170 . . . . . . . . . . 15910 1
50 . 1 1 60 60 LYS N N 15 . 1 1 60 60 LYS H H 1 0.7479 0.0498 . . . . . . . . . . 15910 1
51 . 1 1 61 61 ILE N N 15 . 1 1 61 61 ILE H H 1 0.7702 0.0236 . . . . . . . . . . 15910 1
52 . 1 1 62 62 GLN N N 15 . 1 1 62 62 GLN H H 1 0.7575 0.0228 . . . . . . . . . . 15910 1
53 . 1 1 64 64 GLU N N 15 . 1 1 64 64 GLU H H 1 0.7685 0.0231 . . . . . . . . . . 15910 1
54 . 1 1 65 65 VAL N N 15 . 1 1 65 65 VAL H H 1 0.7769 0.0237 . . . . . . . . . . 15910 1
55 . 1 1 66 66 GLU N N 15 . 1 1 66 66 GLU H H 1 0.7883 0.0259 . . . . . . . . . . 15910 1
56 . 1 1 67 67 SER N N 15 . 1 1 67 67 SER H H 1 0.7387 0.0190 . . . . . . . . . . 15910 1
57 . 1 1 68 68 LEU N N 15 . 1 1 68 68 LEU H H 1 0.7795 0.0252 . . . . . . . . . . 15910 1
58 . 1 1 69 69 ILE N N 15 . 1 1 69 69 ILE H H 1 0.7036 0.0292 . . . . . . . . . . 15910 1
59 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.6397 0.0181 . . . . . . . . . . 15910 1
60 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.5931 0.0160 . . . . . . . . . . 15910 1
61 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.4748 0.0157 . . . . . . . . . . 15910 1
62 . 1 1 73 73 GLN N N 15 . 1 1 73 73 GLN H H 1 0.4690 0.0131 . . . . . . . . . . 15910 1
63 . 1 1 75 75 MET N N 15 . 1 1 75 75 MET H H 1 0.3097 0.0113 . . . . . . . . . . 15910 1
64 . 1 1 76 76 SER N N 15 . 1 1 76 76 SER H H 1 0.3686 0.0107 . . . . . . . . . . 15910 1
65 . 1 1 78 78 THR N N 15 . 1 1 78 78 THR H H 1 0.5520 0.0144 . . . . . . . . . . 15910 1
66 . 1 1 79 79 ILE N N 15 . 1 1 79 79 ILE H H 1 0.5365 0.0179 . . . . . . . . . . 15910 1
67 . 1 1 80 80 HIS N N 15 . 1 1 80 80 HIS H H 1 0.6665 0.0250 . . . . . . . . . . 15910 1
68 . 1 1 81 81 TYR N N 15 . 1 1 81 81 TYR H H 1 0.7720 0.0362 . . . . . . . . . . 15910 1
69 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.8018 0.0287 . . . . . . . . . . 15910 1
70 . 1 1 84 84 ARG N N 15 . 1 1 84 84 ARG H H 1 0.7836 0.0372 . . . . . . . . . . 15910 1
71 . 1 1 85 85 ALA N N 15 . 1 1 85 85 ALA H H 1 0.8187 0.0311 . . . . . . . . . . 15910 1
72 . 1 1 86 86 LYS N N 15 . 1 1 86 86 LYS H H 1 0.7098 0.0635 . . . . . . . . . . 15910 1
73 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.7328 0.0587 . . . . . . . . . . 15910 1
74 . 1 1 88 88 VAL N N 15 . 1 1 88 88 VAL H H 1 0.8042 0.0294 . . . . . . . . . . 15910 1
75 . 1 1 89 89 ILE N N 15 . 1 1 89 89 ILE H H 1 0.7973 0.0296 . . . . . . . . . . 15910 1
76 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.8005 0.0270 . . . . . . . . . . 15910 1
77 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.7993 0.0293 . . . . . . . . . . 15910 1
78 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.7525 0.0254 . . . . . . . . . . 15910 1
79 . 1 1 93 93 MET N N 15 . 1 1 93 93 MET H H 1 0.8049 0.0330 . . . . . . . . . . 15910 1
80 . 1 1 94 94 ASP N N 15 . 1 1 94 94 ASP H H 1 0.8104 0.0247 . . . . . . . . . . 15910 1
81 . 1 1 95 95 GLU N N 15 . 1 1 95 95 GLU H H 1 0.8240 0.0297 . . . . . . . . . . 15910 1
82 . 1 1 96 96 ALA N N 15 . 1 1 96 96 ALA H H 1 0.7964 0.0243 . . . . . . . . . . 15910 1
83 . 1 1 97 97 ARG N N 15 . 1 1 97 97 ARG H H 1 0.7836 0.0241 . . . . . . . . . . 15910 1
84 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.7813 0.0226 . . . . . . . . . . 15910 1
85 . 1 1 101 101 HIS N N 15 . 1 1 101 101 HIS H H 1 0.7339 0.0225 . . . . . . . . . . 15910 1
86 . 1 1 102 102 SER N N 15 . 1 1 102 102 SER H H 1 0.7622 0.0820 . . . . . . . . . . 15910 1
87 . 1 1 103 103 TYR N N 15 . 1 1 103 103 TYR H H 1 0.7102 0.0215 . . . . . . . . . . 15910 1
88 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.7408 0.0347 . . . . . . . . . . 15910 1
89 . 1 1 105 105 GLY N N 15 . 1 1 105 105 GLY H H 1 0.7846 0.0674 . . . . . . . . . . 15910 1
90 . 1 1 107 107 GLU N N 15 . 1 1 107 107 GLU H H 1 0.8082 0.0351 . . . . . . . . . . 15910 1
91 . 1 1 108 108 HIS N N 15 . 1 1 108 108 HIS H H 1 0.7978 0.0300 . . . . . . . . . . 15910 1
92 . 1 1 109 109 ILE N N 15 . 1 1 109 109 ILE H H 1 0.7942 0.0303 . . . . . . . . . . 15910 1
93 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.7974 0.0241 . . . . . . . . . . 15910 1
94 . 1 1 111 111 LEU N N 15 . 1 1 111 111 LEU H H 1 0.7923 0.0410 . . . . . . . . . . 15910 1
95 . 1 1 112 112 GLY N N 15 . 1 1 112 112 GLY H H 1 0.7958 0.0268 . . . . . . . . . . 15910 1
96 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.7849 0.0258 . . . . . . . . . . 15910 1
97 . 1 1 116 116 GLU N N 15 . 1 1 116 116 GLU H H 1 0.8116 0.0248 . . . . . . . . . . 15910 1
98 . 1 1 117 117 GLY N N 15 . 1 1 117 117 GLY H H 1 0.7938 0.0310 . . . . . . . . . . 15910 1
99 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.8080 0.1267 . . . . . . . . . . 15910 1
100 . 1 1 120 120 VAL N N 15 . 1 1 120 120 VAL H H 1 0.7960 0.0633 . . . . . . . . . . 15910 1
101 . 1 1 121 121 ALA N N 15 . 1 1 121 121 ALA H H 1 0.8171 0.0288 . . . . . . . . . . 15910 1
102 . 1 1 123 123 ARG N N 15 . 1 1 123 123 ARG H H 1 0.7686 0.0250 . . . . . . . . . . 15910 1
103 . 1 1 126 126 ASN N N 15 . 1 1 126 126 ASN H H 1 0.7991 0.0238 . . . . . . . . . . 15910 1
104 . 1 1 127 127 ASN N N 15 . 1 1 127 127 ASN H H 1 0.7821 0.0212 . . . . . . . . . . 15910 1
105 . 1 1 128 128 LEU N N 15 . 1 1 128 128 LEU H H 1 0.7721 0.0272 . . . . . . . . . . 15910 1
106 . 1 1 130 130 VAL N N 15 . 1 1 130 130 VAL H H 1 0.7754 0.0214 . . . . . . . . . . 15910 1
107 . 1 1 131 131 SER N N 15 . 1 1 131 131 SER H H 1 0.6955 0.0306 . . . . . . . . . . 15910 1
108 . 1 1 132 132 LEU N N 15 . 1 1 132 132 LEU H H 1 0.7960 0.0271 . . . . . . . . . . 15910 1
109 . 1 1 133 133 ASN N N 15 . 1 1 133 133 ASN H H 1 0.7625 0.0231 . . . . . . . . . . 15910 1
110 . 1 1 134 134 LYS N N 15 . 1 1 134 134 LYS H H 1 0.7677 0.0564 . . . . . . . . . . 15910 1
111 . 1 1 136 136 ARG N N 15 . 1 1 136 136 ARG H H 1 0.7795 0.0269 . . . . . . . . . . 15910 1
112 . 1 1 138 138 GLN N N 15 . 1 1 138 138 GLN H H 1 0.7929 0.0222 . . . . . . . . . . 15910 1
113 . 1 1 139 139 VAL N N 15 . 1 1 139 139 VAL H H 1 0.7552 0.0291 . . . . . . . . . . 15910 1
114 . 1 1 140 140 LEU N N 15 . 1 1 140 140 LEU H H 1 0.7546 0.0255 . . . . . . . . . . 15910 1
115 . 1 1 142 142 LEU N N 15 . 1 1 142 142 LEU H H 1 0.7385 0.0241 . . . . . . . . . . 15910 1
116 . 1 1 143 143 LEU N N 15 . 1 1 143 143 LEU H H 1 0.6891 0.0209 . . . . . . . . . . 15910 1
117 . 1 1 145 145 SER N N 15 . 1 1 145 145 SER H H 1 0.2443 0.0063 . . . . . . . . . . 15910 1
118 . 1 1 146 146 ASN N N 15 . 1 1 146 146 ASN H H 1 -0.8897 0.0069 . . . . . . . . . . 15910 1
stop_
save_
save_heteronuclear_noe_list_2
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2
_Heteronucl_NOE_list.Entry_ID 15910
_Heteronucl_NOE_list.ID 2
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_NOE_list.Spectrometer_frequency_1H 600.7904943
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities'
_Heteronucl_NOE_list.NOE_ref_val 1
_Heteronucl_NOE_list.NOE_ref_description .
_Heteronucl_NOE_list.Details .
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
loop_
_Heteronucl_NOE_experiment.Experiment_ID
_Heteronucl_NOE_experiment.Experiment_name
_Heteronucl_NOE_experiment.Sample_ID
_Heteronucl_NOE_experiment.Sample_label
_Heteronucl_NOE_experiment.Sample_state
_Heteronucl_NOE_experiment.Entry_ID
_Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID
8 '2D 1H-15N HSQC' . . . 15910 2
stop_
loop_
_Heteronucl_NOE.ID
_Heteronucl_NOE.Assembly_atom_ID_1
_Heteronucl_NOE.Entity_assembly_ID_1
_Heteronucl_NOE.Entity_ID_1
_Heteronucl_NOE.Comp_index_ID_1
_Heteronucl_NOE.Seq_ID_1
_Heteronucl_NOE.Comp_ID_1
_Heteronucl_NOE.Atom_ID_1
_Heteronucl_NOE.Atom_type_1
_Heteronucl_NOE.Atom_isotope_number_1
_Heteronucl_NOE.Assembly_atom_ID_2
_Heteronucl_NOE.Entity_assembly_ID_2
_Heteronucl_NOE.Entity_ID_2
_Heteronucl_NOE.Comp_index_ID_2
_Heteronucl_NOE.Seq_ID_2
_Heteronucl_NOE.Comp_ID_2
_Heteronucl_NOE.Atom_ID_2
_Heteronucl_NOE.Atom_type_2
_Heteronucl_NOE.Atom_isotope_number_2
_Heteronucl_NOE.Val
_Heteronucl_NOE.Val_err
_Heteronucl_NOE.Resonance_ID_1
_Heteronucl_NOE.Resonance_ID_2
_Heteronucl_NOE.Auth_entity_assembly_ID_1
_Heteronucl_NOE.Auth_seq_ID_1
_Heteronucl_NOE.Auth_comp_ID_1
_Heteronucl_NOE.Auth_atom_ID_1
_Heteronucl_NOE.Auth_entity_assembly_ID_2
_Heteronucl_NOE.Auth_seq_ID_2
_Heteronucl_NOE.Auth_comp_ID_2
_Heteronucl_NOE.Auth_atom_ID_2
_Heteronucl_NOE.Entry_ID
_Heteronucl_NOE.Heteronucl_NOE_list_ID
1 . 1 1 3 3 MET N N 15 . 1 1 3 3 MET H H 1 -0.0008 0.0316 . . . . . . . . . . 15910 2
2 . 1 1 5 5 GLY N N 15 . 1 1 5 5 GLY H H 1 0.5012 0.0209 . . . . . . . . . . 15910 2
3 . 1 1 6 6 ARG N N 15 . 1 1 6 6 ARG H H 1 0.5978 0.0279 . . . . . . . . . . 15910 2
4 . 1 1 7 7 PHE N N 15 . 1 1 7 7 PHE H H 1 0.7113 0.0339 . . . . . . . . . . 15910 2
5 . 1 1 8 8 THR N N 15 . 1 1 8 8 THR H H 1 0.8013 0.0399 . . . . . . . . . . 15910 2
6 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.8535 0.0379 . . . . . . . . . . 15910 2
7 . 1 1 10 10 ARG N N 15 . 1 1 10 10 ARG H H 1 0.8132 0.0483 . . . . . . . . . . 15910 2
8 . 1 1 11 11 ALA N N 15 . 1 1 11 11 ALA H H 1 0.8390 0.0423 . . . . . . . . . . 15910 2
9 . 1 1 12 12 GLN N N 15 . 1 1 12 12 GLN H H 1 0.8158 0.0387 . . . . . . . . . . 15910 2
10 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.8313 0.0963 . . . . . . . . . . 15910 2
11 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.8344 0.0374 . . . . . . . . . . 15910 2
12 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.8293 0.0450 . . . . . . . . . . 15910 2
13 . 1 1 16 16 ALA N N 15 . 1 1 16 16 ALA H H 1 0.8317 0.0343 . . . . . . . . . . 15910 2
14 . 1 1 17 17 LEU N N 15 . 1 1 17 17 LEU H H 1 0.7957 0.0393 . . . . . . . . . . 15910 2
15 . 1 1 18 18 ALA N N 15 . 1 1 18 18 ALA H H 1 0.7998 0.0328 . . . . . . . . . . 15910 2
16 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.8059 0.0338 . . . . . . . . . . 15910 2
17 . 1 1 20 20 GLU N N 15 . 1 1 20 20 GLU H H 1 0.7924 0.0334 . . . . . . . . . . 15910 2
18 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.8206 0.0391 . . . . . . . . . . 15910 2
19 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 0.8435 0.0342 . . . . . . . . . . 15910 2
20 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.7988 0.0354 . . . . . . . . . . 15910 2
21 . 1 1 24 24 ARG N N 15 . 1 1 24 24 ARG H H 1 0.7831 0.0335 . . . . . . . . . . 15910 2
22 . 1 1 25 25 LEU N N 15 . 1 1 25 25 LEU H H 1 0.7811 0.0484 . . . . . . . . . . 15910 2
23 . 1 1 26 26 GLY N N 15 . 1 1 26 26 GLY H H 1 0.7868 0.0309 . . . . . . . . . . 15910 2
24 . 1 1 27 27 HIS N N 15 . 1 1 27 27 HIS H H 1 0.8075 0.0364 . . . . . . . . . . 15910 2
25 . 1 1 28 28 ASN N N 15 . 1 1 28 28 ASN H H 1 0.7780 0.0520 . . . . . . . . . . 15910 2
26 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.7137 0.0346 . . . . . . . . . . 15910 2
27 . 1 1 30 30 ILE N N 15 . 1 1 30 30 ILE H H 1 0.7828 0.0548 . . . . . . . . . . 15910 2
28 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.7895 0.0892 . . . . . . . . . . 15910 2
29 . 1 1 33 33 GLU N N 15 . 1 1 33 33 GLU H H 1 0.8217 0.0561 . . . . . . . . . . 15910 2
30 . 1 1 34 34 HIS N N 15 . 1 1 34 34 HIS H H 1 0.8697 0.0535 . . . . . . . . . . 15910 2
31 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.8070 0.0346 . . . . . . . . . . 15910 2
32 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.8240 0.0388 . . . . . . . . . . 15910 2
33 . 1 1 38 38 GLY N N 15 . 1 1 38 38 GLY H H 1 0.8222 0.0336 . . . . . . . . . . 15910 2
34 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.7866 0.0315 . . . . . . . . . . 15910 2
35 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.7784 0.0392 . . . . . . . . . . 15910 2
36 . 1 1 41 41 ARG N N 15 . 1 1 41 41 ARG H H 1 0.8297 0.0444 . . . . . . . . . . 15910 2
37 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.8052 0.0361 . . . . . . . . . . 15910 2
38 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.8213 0.0879 . . . . . . . . . . 15910 2
39 . 1 1 45 45 GLY N N 15 . 1 1 45 45 GLY H H 1 0.8092 0.1412 . . . . . . . . . . 15910 2
40 . 1 1 46 46 ILE N N 15 . 1 1 46 46 ILE H H 1 0.7749 0.0669 . . . . . . . . . . 15910 2
41 . 1 1 47 47 ALA N N 15 . 1 1 47 47 ALA H H 1 0.7784 0.0365 . . . . . . . . . . 15910 2
42 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.8226 0.0328 . . . . . . . . . . 15910 2
43 . 1 1 50 50 ALA N N 15 . 1 1 50 50 ALA H H 1 0.7892 0.0316 . . . . . . . . . . 15910 2
44 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 0.7687 0.0281 . . . . . . . . . . 15910 2
45 . 1 1 54 54 LEU N N 15 . 1 1 54 54 LEU H H 1 0.7785 0.0366 . . . . . . . . . . 15910 2
46 . 1 1 55 55 GLY N N 15 . 1 1 55 55 GLY H H 1 0.7800 0.0297 . . . . . . . . . . 15910 2
47 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.4931 0.0293 . . . . . . . . . . 15910 2
48 . 1 1 58 58 SER N N 15 . 1 1 58 58 SER H H 1 0.7624 0.0294 . . . . . . . . . . 15910 2
49 . 1 1 59 59 GLU N N 15 . 1 1 59 59 GLU H H 1 0.8003 0.0235 . . . . . . . . . . 15910 2
50 . 1 1 60 60 LYS N N 15 . 1 1 60 60 LYS H H 1 0.7754 0.0725 . . . . . . . . . . 15910 2
51 . 1 1 61 61 ILE N N 15 . 1 1 61 61 ILE H H 1 0.7798 0.0348 . . . . . . . . . . 15910 2
52 . 1 1 62 62 GLN N N 15 . 1 1 62 62 GLN H H 1 0.7958 0.0324 . . . . . . . . . . 15910 2
53 . 1 1 64 64 GLU N N 15 . 1 1 64 64 GLU H H 1 0.7892 0.0329 . . . . . . . . . . 15910 2
54 . 1 1 65 65 VAL N N 15 . 1 1 65 65 VAL H H 1 0.8094 0.0334 . . . . . . . . . . 15910 2
55 . 1 1 66 66 GLU N N 15 . 1 1 66 66 GLU H H 1 0.8292 0.0381 . . . . . . . . . . 15910 2
56 . 1 1 67 67 SER N N 15 . 1 1 67 67 SER H H 1 0.7967 0.0276 . . . . . . . . . . 15910 2
57 . 1 1 68 68 LEU N N 15 . 1 1 68 68 LEU H H 1 0.7713 0.0343 . . . . . . . . . . 15910 2
58 . 1 1 69 69 ILE N N 15 . 1 1 69 69 ILE H H 1 0.7535 0.0473 . . . . . . . . . . 15910 2
59 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.7219 0.0281 . . . . . . . . . . 15910 2
60 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.5909 0.0234 . . . . . . . . . . 15910 2
61 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.5225 0.0241 . . . . . . . . . . 15910 2
62 . 1 1 73 73 GLN N N 15 . 1 1 73 73 GLN H H 1 0.5339 0.0199 . . . . . . . . . . 15910 2
63 . 1 1 75 75 MET N N 15 . 1 1 75 75 MET H H 1 0.4184 0.0176 . . . . . . . . . . 15910 2
64 . 1 1 76 76 SER N N 15 . 1 1 76 76 SER H H 1 0.3875 0.0165 . . . . . . . . . . 15910 2
65 . 1 1 78 78 THR N N 15 . 1 1 78 78 THR H H 1 0.5331 0.0206 . . . . . . . . . . 15910 2
66 . 1 1 79 79 ILE N N 15 . 1 1 79 79 ILE H H 1 0.6255 0.0293 . . . . . . . . . . 15910 2
67 . 1 1 80 80 HIS N N 15 . 1 1 80 80 HIS H H 1 0.7306 0.0370 . . . . . . . . . . 15910 2
68 . 1 1 81 81 TYR N N 15 . 1 1 81 81 TYR H H 1 0.7953 0.0507 . . . . . . . . . . 15910 2
69 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.8212 0.0402 . . . . . . . . . . 15910 2
70 . 1 1 84 84 ARG N N 15 . 1 1 84 84 ARG H H 1 0.8569 0.0582 . . . . . . . . . . 15910 2
71 . 1 1 85 85 ALA N N 15 . 1 1 85 85 ALA H H 1 0.8254 0.0449 . . . . . . . . . . 15910 2
72 . 1 1 86 86 LYS N N 15 . 1 1 86 86 LYS H H 1 0.7741 0.0947 . . . . . . . . . . 15910 2
73 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.8777 0.0915 . . . . . . . . . . 15910 2
74 . 1 1 88 88 VAL N N 15 . 1 1 88 88 VAL H H 1 0.8308 0.0420 . . . . . . . . . . 15910 2
75 . 1 1 89 89 ILE N N 15 . 1 1 89 89 ILE H H 1 0.8170 0.0434 . . . . . . . . . . 15910 2
76 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.7886 0.0359 . . . . . . . . . . 15910 2
77 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.7983 0.0379 . . . . . . . . . . 15910 2
78 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.7890 0.0337 . . . . . . . . . . 15910 2
79 . 1 1 93 93 MET N N 15 . 1 1 93 93 MET H H 1 0.8092 0.0461 . . . . . . . . . . 15910 2
80 . 1 1 94 94 ASP N N 15 . 1 1 94 94 ASP H H 1 0.8148 0.0357 . . . . . . . . . . 15910 2
81 . 1 1 95 95 GLU N N 15 . 1 1 95 95 GLU H H 1 0.8365 0.0391 . . . . . . . . . . 15910 2
82 . 1 1 96 96 ALA N N 15 . 1 1 96 96 ALA H H 1 0.8174 0.0339 . . . . . . . . . . 15910 2
83 . 1 1 97 97 ARG N N 15 . 1 1 97 97 ARG H H 1 0.7962 0.0359 . . . . . . . . . . 15910 2
84 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.8250 0.0320 . . . . . . . . . . 15910 2
85 . 1 1 101 101 HIS N N 15 . 1 1 101 101 HIS H H 1 0.7765 0.0325 . . . . . . . . . . 15910 2
86 . 1 1 102 102 SER N N 15 . 1 1 102 102 SER H H 1 0.7764 0.1073 . . . . . . . . . . 15910 2
87 . 1 1 103 103 TYR N N 15 . 1 1 103 103 TYR H H 1 0.7685 0.0313 . . . . . . . . . . 15910 2
88 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.7655 0.0546 . . . . . . . . . . 15910 2
89 . 1 1 105 105 GLY N N 15 . 1 1 105 105 GLY H H 1 0.8463 0.1001 . . . . . . . . . . 15910 2
90 . 1 1 107 107 GLU N N 15 . 1 1 107 107 GLU H H 1 0.8660 0.0613 . . . . . . . . . . 15910 2
91 . 1 1 108 108 HIS N N 15 . 1 1 108 108 HIS H H 1 0.8404 0.0406 . . . . . . . . . . 15910 2
92 . 1 1 109 109 ILE N N 15 . 1 1 109 109 ILE H H 1 0.8145 0.0393 . . . . . . . . . . 15910 2
93 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.8028 0.0332 . . . . . . . . . . 15910 2
94 . 1 1 111 111 LEU N N 15 . 1 1 111 111 LEU H H 1 0.8531 0.0662 . . . . . . . . . . 15910 2
95 . 1 1 112 112 GLY N N 15 . 1 1 112 112 GLY H H 1 0.7919 0.0352 . . . . . . . . . . 15910 2
96 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.8309 0.0384 . . . . . . . . . . 15910 2
97 . 1 1 116 116 GLU N N 15 . 1 1 116 116 GLU H H 1 0.8274 0.0345 . . . . . . . . . . 15910 2
98 . 1 1 117 117 GLY N N 15 . 1 1 117 117 GLY H H 1 0.8068 0.0463 . . . . . . . . . . 15910 2
99 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.9180 0.3046 . . . . . . . . . . 15910 2
100 . 1 1 120 120 VAL N N 15 . 1 1 120 120 VAL H H 1 0.8387 0.1258 . . . . . . . . . . 15910 2
101 . 1 1 121 121 ALA N N 15 . 1 1 121 121 ALA H H 1 0.7949 0.0388 . . . . . . . . . . 15910 2
102 . 1 1 123 123 ARG N N 15 . 1 1 123 123 ARG H H 1 0.7986 0.0359 . . . . . . . . . . 15910 2
103 . 1 1 126 126 ASN N N 15 . 1 1 126 126 ASN H H 1 0.8185 0.0355 . . . . . . . . . . 15910 2
104 . 1 1 127 127 ASN N N 15 . 1 1 127 127 ASN H H 1 0.7962 0.0302 . . . . . . . . . . 15910 2
105 . 1 1 128 128 LEU N N 15 . 1 1 128 128 LEU H H 1 0.7885 0.0395 . . . . . . . . . . 15910 2
106 . 1 1 130 130 VAL N N 15 . 1 1 130 130 VAL H H 1 0.8136 0.0325 . . . . . . . . . . 15910 2
107 . 1 1 131 131 SER N N 15 . 1 1 131 131 SER H H 1 0.7499 0.0516 . . . . . . . . . . 15910 2
108 . 1 1 132 132 LEU N N 15 . 1 1 132 132 LEU H H 1 0.7929 0.0391 . . . . . . . . . . 15910 2
109 . 1 1 133 133 ASN N N 15 . 1 1 133 133 ASN H H 1 0.7904 0.0316 . . . . . . . . . . 15910 2
110 . 1 1 134 134 LYS N N 15 . 1 1 134 134 LYS H H 1 0.8008 0.0806 . . . . . . . . . . 15910 2
111 . 1 1 136 136 ARG N N 15 . 1 1 136 136 ARG H H 1 0.7869 0.0392 . . . . . . . . . . 15910 2
112 . 1 1 138 138 GLN N N 15 . 1 1 138 138 GLN H H 1 0.7987 0.0311 . . . . . . . . . . 15910 2
113 . 1 1 139 139 VAL N N 15 . 1 1 139 139 VAL H H 1 0.7489 0.0424 . . . . . . . . . . 15910 2
114 . 1 1 140 140 LEU N N 15 . 1 1 140 140 LEU H H 1 0.7858 0.0395 . . . . . . . . . . 15910 2
115 . 1 1 142 142 LEU N N 15 . 1 1 142 142 LEU H H 1 0.8060 0.0353 . . . . . . . . . . 15910 2
116 . 1 1 143 143 LEU N N 15 . 1 1 143 143 LEU H H 1 0.7224 0.0304 . . . . . . . . . . 15910 2
117 . 1 1 145 145 SER N N 15 . 1 1 145 145 SER H H 1 0.2246 0.0096 . . . . . . . . . . 15910 2
118 . 1 1 146 146 ASN N N 15 . 1 1 146 146 ASN H H 1 -0.7149 0.0090 . . . . . . . . . . 15910 2
stop_
save_
########################################
# Heteronuclear T1 relaxation values #
########################################
save_heteronuclear_T1_list_1
_Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation
_Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1
_Heteronucl_T1_list.Entry_ID 15910
_Heteronucl_T1_list.ID 1
_Heteronucl_T1_list.Sample_condition_list_ID 1
_Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_T1_list.Spectrometer_frequency_1H 499.8824609
_Heteronucl_T1_list.T1_coherence_type Nz
_Heteronucl_T1_list.T1_val_units s-1
_Heteronucl_T1_list.Details .
_Heteronucl_T1_list.Text_data_format .
_Heteronucl_T1_list.Text_data .
loop_
_Heteronucl_T1_experiment.Experiment_ID
_Heteronucl_T1_experiment.Experiment_name
_Heteronucl_T1_experiment.Sample_ID
_Heteronucl_T1_experiment.Sample_label
_Heteronucl_T1_experiment.Sample_state
_Heteronucl_T1_experiment.Entry_ID
_Heteronucl_T1_experiment.Heteronucl_T1_list_ID
7 '2D 1H-15N HSQC' . . . 15910 1
stop_
loop_
_T1.ID
_T1.Assembly_atom_ID
_T1.Entity_assembly_ID
_T1.Entity_ID
_T1.Comp_index_ID
_T1.Seq_ID
_T1.Comp_ID
_T1.Atom_ID
_T1.Atom_type
_T1.Atom_isotope_number
_T1.Val
_T1.Val_err
_T1.Resonance_ID
_T1.Auth_entity_assembly_ID
_T1.Auth_seq_ID
_T1.Auth_comp_ID
_T1.Auth_atom_ID
_T1.Entry_ID
_T1.Heteronucl_T1_list_ID
1 . 1 1 3 3 MET N N 15 1.5724 0.0356 . . . . . 15910 1
2 . 1 1 5 5 GLY N N 15 1.9052 0.0272 . . . . . 15910 1
3 . 1 1 6 6 ARG N N 15 2.0094 0.0343 . . . . . 15910 1
4 . 1 1 7 7 PHE N N 15 1.8767 0.0288 . . . . . 15910 1
5 . 1 1 8 8 THR N N 15 2.0912 0.0406 . . . . . 15910 1
6 . 1 1 9 9 GLU N N 15 2.0388 0.0403 . . . . . 15910 1
7 . 1 1 10 10 ARG N N 15 1.9921 0.0425 . . . . . 15910 1
8 . 1 1 11 11 ALA N N 15 2.0588 0.0391 . . . . . 15910 1
9 . 1 1 12 12 GLN N N 15 1.9814 0.0340 . . . . . 15910 1
10 . 1 1 13 13 LYS N N 15 1.9896 0.0578 . . . . . 15910 1
11 . 1 1 14 14 VAL N N 15 1.9697 0.0310 . . . . . 15910 1
12 . 1 1 15 15 LEU N N 15 2.0552 0.0373 . . . . . 15910 1
13 . 1 1 16 16 ALA N N 15 2.0149 0.0281 . . . . . 15910 1
14 . 1 1 17 17 LEU N N 15 2.0050 0.0337 . . . . . 15910 1
15 . 1 1 18 18 ALA N N 15 2.0313 0.0306 . . . . . 15910 1
16 . 1 1 19 19 GLN N N 15 1.9766 0.0285 . . . . . 15910 1
17 . 1 1 20 20 GLU N N 15 2.0093 0.0302 . . . . . 15910 1
18 . 1 1 21 21 GLU N N 15 2.0166 0.0355 . . . . . 15910 1
19 . 1 1 22 22 ALA N N 15 2.0296 0.0313 . . . . . 15910 1
20 . 1 1 23 23 LEU N N 15 1.9983 0.0296 . . . . . 15910 1
21 . 1 1 24 24 ARG N N 15 2.0086 0.0307 . . . . . 15910 1
22 . 1 1 25 25 LEU N N 15 2.0123 0.0379 . . . . . 15910 1
23 . 1 1 26 26 GLY N N 15 2.0553 0.0330 . . . . . 15910 1
24 . 1 1 27 27 HIS N N 15 2.0456 0.0332 . . . . . 15910 1
25 . 1 1 28 28 ASN N N 15 2.0434 0.0445 . . . . . 15910 1
26 . 1 1 29 29 ASN N N 15 1.9232 0.0320 . . . . . 15910 1
27 . 1 1 30 30 ILE N N 15 2.0097 0.0467 . . . . . 15910 1
28 . 1 1 31 31 GLY N N 15 2.0670 0.0661 . . . . . 15910 1
29 . 1 1 33 33 GLU N N 15 2.0350 0.0428 . . . . . 15910 1
30 . 1 1 34 34 HIS N N 15 2.1913 0.0438 . . . . . 15910 1
31 . 1 1 36 36 LEU N N 15 2.0827 0.0333 . . . . . 15910 1
32 . 1 1 37 37 LEU N N 15 2.0695 0.0349 . . . . . 15910 1
33 . 1 1 38 38 GLY N N 15 2.1737 0.0330 . . . . . 15910 1
34 . 1 1 39 39 LEU N N 15 2.1380 0.0330 . . . . . 15910 1
35 . 1 1 40 40 VAL N N 15 2.0706 0.0336 . . . . . 15910 1
36 . 1 1 41 41 ARG N N 15 2.1012 0.0377 . . . . . 15910 1
37 . 1 1 42 42 GLU N N 15 2.1234 0.0334 . . . . . 15910 1
38 . 1 1 43 43 GLY N N 15 2.0264 0.0525 . . . . . 15910 1
39 . 1 1 45 45 GLY N N 15 1.9291 0.0871 . . . . . 15910 1
40 . 1 1 46 46 ILE N N 15 2.1725 0.0574 . . . . . 15910 1
41 . 1 1 47 47 ALA N N 15 2.1984 0.0365 . . . . . 15910 1
42 . 1 1 48 48 ALA N N 15 2.0108 0.0300 . . . . . 15910 1
43 . 1 1 50 50 ALA N N 15 2.1472 0.0294 . . . . . 15910 1
44 . 1 1 53 53 ALA N N 15 2.0867 0.0265 . . . . . 15910 1
45 . 1 1 54 54 LEU N N 15 1.9674 0.0298 . . . . . 15910 1
46 . 1 1 55 55 GLY N N 15 2.0423 0.0316 . . . . . 15910 1
47 . 1 1 57 57 GLY N N 15 1.4221 0.0229 . . . . . 15910 1
48 . 1 1 58 58 SER N N 15 1.9930 0.0303 . . . . . 15910 1
49 . 1 1 59 59 GLU N N 15 2.0253 0.0257 . . . . . 15910 1
50 . 1 1 60 60 LYS N N 15 1.9668 0.0457 . . . . . 15910 1
51 . 1 1 61 61 ILE N N 15 2.0316 0.0292 . . . . . 15910 1
52 . 1 1 62 62 GLN N N 15 2.0945 0.0292 . . . . . 15910 1
53 . 1 1 64 64 GLU N N 15 2.0362 0.0317 . . . . . 15910 1
54 . 1 1 65 65 VAL N N 15 2.0721 0.0307 . . . . . 15910 1
55 . 1 1 66 66 GLU N N 15 2.0621 0.0346 . . . . . 15910 1
56 . 1 1 67 67 SER N N 15 1.9515 0.0258 . . . . . 15910 1
57 . 1 1 68 68 LEU N N 15 2.0070 0.0298 . . . . . 15910 1
58 . 1 1 69 69 ILE N N 15 1.9401 0.0345 . . . . . 15910 1
59 . 1 1 70 70 GLY N N 15 1.8905 0.0282 . . . . . 15910 1
60 . 1 1 71 71 ARG N N 15 1.7440 0.0250 . . . . . 15910 1
61 . 1 1 72 72 GLY N N 15 1.8567 0.0254 . . . . . 15910 1
62 . 1 1 73 73 GLN N N 15 1.7430 0.0228 . . . . . 15910 1
63 . 1 1 75 75 MET N N 15 1.7856 0.0206 . . . . . 15910 1
64 . 1 1 76 76 SER N N 15 1.7533 0.0203 . . . . . 15910 1
65 . 1 1 78 78 THR N N 15 1.7946 0.0237 . . . . . 15910 1
66 . 1 1 79 79 ILE N N 15 1.8806 0.0266 . . . . . 15910 1
67 . 1 1 80 80 HIS N N 15 1.9799 0.0350 . . . . . 15910 1
68 . 1 1 81 81 TYR N N 15 1.9811 0.0535 . . . . . 15910 1
69 . 1 1 82 82 THR N N 15 2.0941 0.0406 . . . . . 15910 1
70 . 1 1 84 84 ARG N N 15 1.9973 0.0494 . . . . . 15910 1
71 . 1 1 85 85 ALA N N 15 2.0264 0.0406 . . . . . 15910 1
72 . 1 1 86 86 LYS N N 15 1.9660 0.0633 . . . . . 15910 1
73 . 1 1 87 87 LYS N N 15 2.0362 0.0605 . . . . . 15910 1
74 . 1 1 88 88 VAL N N 15 1.9926 0.0350 . . . . . 15910 1
75 . 1 1 89 89 ILE N N 15 2.0663 0.0357 . . . . . 15910 1
76 . 1 1 90 90 GLU N N 15 2.0414 0.0337 . . . . . 15910 1
77 . 1 1 91 91 LEU N N 15 2.0338 0.0350 . . . . . 15910 1
78 . 1 1 92 92 SER N N 15 2.0303 0.0334 . . . . . 15910 1
79 . 1 1 93 93 MET N N 15 2.0056 0.0379 . . . . . 15910 1
80 . 1 1 94 94 ASP N N 15 1.9693 0.0327 . . . . . 15910 1
81 . 1 1 95 95 GLU N N 15 1.8875 0.0344 . . . . . 15910 1
82 . 1 1 96 96 ALA N N 15 1.9754 0.0331 . . . . . 15910 1
83 . 1 1 97 97 ARG N N 15 1.9334 0.0291 . . . . . 15910 1
84 . 1 1 100 100 GLY N N 15 2.0117 0.0312 . . . . . 15910 1
85 . 1 1 101 101 HIS N N 15 1.9706 0.0328 . . . . . 15910 1
86 . 1 1 102 102 SER N N 15 1.8169 0.1450 . . . . . 15910 1
87 . 1 1 103 103 TYR N N 15 1.8562 0.0310 . . . . . 15910 1
88 . 1 1 104 104 VAL N N 15 1.9704 0.0463 . . . . . 15910 1
89 . 1 1 105 105 GLY N N 15 2.0315 0.0710 . . . . . 15910 1
90 . 1 1 107 107 GLU N N 15 2.0415 0.0455 . . . . . 15910 1
91 . 1 1 108 108 HIS N N 15 2.2319 0.0431 . . . . . 15910 1
92 . 1 1 109 109 ILE N N 15 2.1353 0.0393 . . . . . 15910 1
93 . 1 1 110 110 LEU N N 15 2.1273 0.0332 . . . . . 15910 1
94 . 1 1 111 111 LEU N N 15 2.1231 0.0497 . . . . . 15910 1
95 . 1 1 112 112 GLY N N 15 2.1939 0.0381 . . . . . 15910 1
96 . 1 1 113 113 LEU N N 15 2.1786 0.0374 . . . . . 15910 1
97 . 1 1 116 116 GLU N N 15 2.2644 0.0385 . . . . . 15910 1
98 . 1 1 117 117 GLY N N 15 2.0765 0.0413 . . . . . 15910 1
99 . 1 1 119 119 GLY N N 15 2.0143 0.1542 . . . . . 15910 1
100 . 1 1 120 120 VAL N N 15 2.0813 0.0842 . . . . . 15910 1
101 . 1 1 121 121 ALA N N 15 2.1296 0.0356 . . . . . 15910 1
102 . 1 1 123 123 ARG N N 15 2.0645 0.0339 . . . . . 15910 1
103 . 1 1 126 126 ASN N N 15 2.0826 0.0306 . . . . . 15910 1
104 . 1 1 127 127 ASN N N 15 2.0715 0.0291 . . . . . 15910 1
105 . 1 1 128 128 LEU N N 15 2.0429 0.0336 . . . . . 15910 1
106 . 1 1 130 130 VAL N N 15 1.8979 0.0287 . . . . . 15910 1
107 . 1 1 131 131 SER N N 15 1.6517 0.0320 . . . . . 15910 1
108 . 1 1 132 132 LEU N N 15 2.1273 0.0390 . . . . . 15910 1
109 . 1 1 133 133 ASN N N 15 2.0906 0.0362 . . . . . 15910 1
110 . 1 1 134 134 LYS N N 15 2.0312 0.0572 . . . . . 15910 1
111 . 1 1 136 136 ARG N N 15 2.1503 0.0345 . . . . . 15910 1
112 . 1 1 138 138 GLN N N 15 2.0723 0.0278 . . . . . 15910 1
113 . 1 1 139 139 VAL N N 15 2.1345 0.0375 . . . . . 15910 1
114 . 1 1 140 140 LEU N N 15 2.1217 0.0317 . . . . . 15910 1
115 . 1 1 142 142 LEU N N 15 2.0022 0.0282 . . . . . 15910 1
116 . 1 1 143 143 LEU N N 15 1.9594 0.0278 . . . . . 15910 1
117 . 1 1 145 145 SER N N 15 1.6140 0.0160 . . . . . 15910 1
118 . 1 1 146 146 ASN N N 15 0.9319 0.0123 . . . . . 15910 1
stop_
save_
save_heteronuclear_T1_list_2
_Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation
_Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_2
_Heteronucl_T1_list.Entry_ID 15910
_Heteronucl_T1_list.ID 2
_Heteronucl_T1_list.Sample_condition_list_ID 1
_Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_T1_list.Spectrometer_frequency_1H 600.7904943
_Heteronucl_T1_list.T1_coherence_type Nz
_Heteronucl_T1_list.T1_val_units s-1
_Heteronucl_T1_list.Details .
_Heteronucl_T1_list.Text_data_format .
_Heteronucl_T1_list.Text_data .
loop_
_Heteronucl_T1_experiment.Experiment_ID
_Heteronucl_T1_experiment.Experiment_name
_Heteronucl_T1_experiment.Sample_ID
_Heteronucl_T1_experiment.Sample_label
_Heteronucl_T1_experiment.Sample_state
_Heteronucl_T1_experiment.Entry_ID
_Heteronucl_T1_experiment.Heteronucl_T1_list_ID
8 '2D 1H-15N HSQC' . . . 15910 2
stop_
loop_
_T1.ID
_T1.Assembly_atom_ID
_T1.Entity_assembly_ID
_T1.Entity_ID
_T1.Comp_index_ID
_T1.Seq_ID
_T1.Comp_ID
_T1.Atom_ID
_T1.Atom_type
_T1.Atom_isotope_number
_T1.Val
_T1.Val_err
_T1.Resonance_ID
_T1.Auth_entity_assembly_ID
_T1.Auth_seq_ID
_T1.Auth_comp_ID
_T1.Auth_atom_ID
_T1.Entry_ID
_T1.Heteronucl_T1_list_ID
1 . 1 1 3 3 MET N N 15 1.4399 0.0514 . . . . . 15910 2
2 . 1 1 5 5 GLY N N 15 1.6797 0.0414 . . . . . 15910 2
3 . 1 1 6 6 ARG N N 15 1.7054 0.0440 . . . . . 15910 2
4 . 1 1 7 7 PHE N N 15 1.5189 0.0407 . . . . . 15910 2
5 . 1 1 8 8 THR N N 15 1.6464 0.0446 . . . . . 15910 2
6 . 1 1 9 9 GLU N N 15 1.6312 0.0519 . . . . . 15910 2
7 . 1 1 10 10 ARG N N 15 1.5921 0.0587 . . . . . 15910 2
8 . 1 1 11 11 ALA N N 15 1.6437 0.0518 . . . . . 15910 2
9 . 1 1 12 12 GLN N N 15 1.5624 0.0445 . . . . . 15910 2
10 . 1 1 13 13 LYS N N 15 1.5682 0.0714 . . . . . 15910 2
11 . 1 1 14 14 VAL N N 15 1.5364 0.0412 . . . . . 15910 2
12 . 1 1 15 15 LEU N N 15 1.6738 0.0506 . . . . . 15910 2
13 . 1 1 16 16 ALA N N 15 1.6006 0.0410 . . . . . 15910 2
14 . 1 1 17 17 LEU N N 15 1.5619 0.0469 . . . . . 15910 2
15 . 1 1 18 18 ALA N N 15 1.6326 0.0431 . . . . . 15910 2
16 . 1 1 19 19 GLN N N 15 1.5407 0.0408 . . . . . 15910 2
17 . 1 1 20 20 GLU N N 15 1.5356 0.0396 . . . . . 15910 2
18 . 1 1 21 21 GLU N N 15 1.5881 0.0480 . . . . . 15910 2
19 . 1 1 22 22 ALA N N 15 1.6188 0.0419 . . . . . 15910 2
20 . 1 1 23 23 LEU N N 15 1.5790 0.0432 . . . . . 15910 2
21 . 1 1 24 24 ARG N N 15 1.5879 0.0425 . . . . . 15910 2
22 . 1 1 25 25 LEU N N 15 1.6318 0.0573 . . . . . 15910 2
23 . 1 1 26 26 GLY N N 15 1.6579 0.0427 . . . . . 15910 2
24 . 1 1 27 27 HIS N N 15 1.6322 0.0469 . . . . . 15910 2
25 . 1 1 28 28 ASN N N 15 1.5816 0.0602 . . . . . 15910 2
26 . 1 1 29 29 ASN N N 15 1.6190 0.0452 . . . . . 15910 2
27 . 1 1 30 30 ILE N N 15 1.6045 0.0573 . . . . . 15910 2
28 . 1 1 31 31 GLY N N 15 1.6077 0.0853 . . . . . 15910 2
29 . 1 1 33 33 GLU N N 15 1.6627 0.0646 . . . . . 15910 2
30 . 1 1 34 34 HIS N N 15 1.7460 0.0585 . . . . . 15910 2
31 . 1 1 36 36 LEU N N 15 1.6919 0.0457 . . . . . 15910 2
32 . 1 1 37 37 LEU N N 15 1.6543 0.0461 . . . . . 15910 2
33 . 1 1 38 38 GLY N N 15 1.7249 0.0432 . . . . . 15910 2
34 . 1 1 39 39 LEU N N 15 1.7128 0.0429 . . . . . 15910 2
35 . 1 1 40 40 VAL N N 15 1.6501 0.0465 . . . . . 15910 2
36 . 1 1 41 41 ARG N N 15 1.7208 0.0517 . . . . . 15910 2
37 . 1 1 42 42 GLU N N 15 1.7130 0.0475 . . . . . 15910 2
38 . 1 1 43 43 GLY N N 15 1.5643 0.0808 . . . . . 15910 2
39 . 1 1 45 45 GLY N N 15 1.6151 0.1588 . . . . . 15910 2
40 . 1 1 46 46 ILE N N 15 1.7172 0.0741 . . . . . 15910 2
41 . 1 1 47 47 ALA N N 15 1.7206 0.0477 . . . . . 15910 2
42 . 1 1 48 48 ALA N N 15 1.6018 0.0407 . . . . . 15910 2
43 . 1 1 50 50 ALA N N 15 1.6921 0.0447 . . . . . 15910 2
44 . 1 1 53 53 ALA N N 15 1.6747 0.0383 . . . . . 15910 2
45 . 1 1 54 54 LEU N N 15 1.5521 0.0422 . . . . . 15910 2
46 . 1 1 55 55 GLY N N 15 1.6297 0.0402 . . . . . 15910 2
47 . 1 1 57 57 GLY N N 15 1.1866 0.0336 . . . . . 15910 2
48 . 1 1 58 58 SER N N 15 1.6232 0.0424 . . . . . 15910 2
49 . 1 1 59 59 GLU N N 15 1.6291 0.0368 . . . . . 15910 2
50 . 1 1 60 60 LYS N N 15 1.5351 0.0606 . . . . . 15910 2
51 . 1 1 61 61 ILE N N 15 1.6340 0.0413 . . . . . 15910 2
52 . 1 1 62 62 GLN N N 15 1.6651 0.0407 . . . . . 15910 2
53 . 1 1 64 64 GLU N N 15 1.6112 0.0414 . . . . . 15910 2
54 . 1 1 65 65 VAL N N 15 1.6541 0.0429 . . . . . 15910 2
55 . 1 1 66 66 GLU N N 15 1.6579 0.0428 . . . . . 15910 2
56 . 1 1 67 67 SER N N 15 1.5419 0.0385 . . . . . 15910 2
57 . 1 1 68 68 LEU N N 15 1.5918 0.0423 . . . . . 15910 2
58 . 1 1 69 69 ILE N N 15 1.5453 0.0502 . . . . . 15910 2
59 . 1 1 70 70 GLY N N 15 1.5585 0.0355 . . . . . 15910 2
60 . 1 1 71 71 ARG N N 15 1.4667 0.0336 . . . . . 15910 2
61 . 1 1 72 72 GLY N N 15 1.5470 0.0387 . . . . . 15910 2
62 . 1 1 73 73 GLN N N 15 1.4905 0.0324 . . . . . 15910 2
63 . 1 1 75 75 MET N N 15 1.5879 0.0332 . . . . . 15910 2
64 . 1 1 76 76 SER N N 15 1.5614 0.0346 . . . . . 15910 2
65 . 1 1 78 78 THR N N 15 1.5129 0.0321 . . . . . 15910 2
66 . 1 1 79 79 ILE N N 15 1.5659 0.0409 . . . . . 15910 2
67 . 1 1 80 80 HIS N N 15 1.6617 0.0481 . . . . . 15910 2
68 . 1 1 81 81 TYR N N 15 1.6336 0.0669 . . . . . 15910 2
69 . 1 1 82 82 THR N N 15 1.6395 0.0454 . . . . . 15910 2
70 . 1 1 84 84 ARG N N 15 1.5581 0.0639 . . . . . 15910 2
71 . 1 1 85 85 ALA N N 15 1.5633 0.0544 . . . . . 15910 2
72 . 1 1 86 86 LYS N N 15 1.6022 0.0827 . . . . . 15910 2
73 . 1 1 87 87 LYS N N 15 1.5822 0.0743 . . . . . 15910 2
74 . 1 1 88 88 VAL N N 15 1.5515 0.0466 . . . . . 15910 2
75 . 1 1 89 89 ILE N N 15 1.6048 0.0467 . . . . . 15910 2
76 . 1 1 90 90 GLU N N 15 1.6045 0.0403 . . . . . 15910 2
77 . 1 1 91 91 LEU N N 15 1.5740 0.0461 . . . . . 15910 2
78 . 1 1 92 92 SER N N 15 1.5876 0.0462 . . . . . 15910 2
79 . 1 1 93 93 MET N N 15 1.5979 0.0515 . . . . . 15910 2
80 . 1 1 94 94 ASP N N 15 1.5387 0.0426 . . . . . 15910 2
81 . 1 1 95 95 GLU N N 15 1.5309 0.0458 . . . . . 15910 2
82 . 1 1 96 96 ALA N N 15 1.5443 0.0404 . . . . . 15910 2
83 . 1 1 97 97 ARG N N 15 1.5386 0.0397 . . . . . 15910 2
84 . 1 1 100 100 GLY N N 15 1.5787 0.0408 . . . . . 15910 2
85 . 1 1 101 101 HIS N N 15 1.5863 0.0453 . . . . . 15910 2
86 . 1 1 102 102 SER N N 15 1.4368 0.1778 . . . . . 15910 2
87 . 1 1 103 103 TYR N N 15 1.5225 0.0431 . . . . . 15910 2
88 . 1 1 104 104 VAL N N 15 1.5985 0.0595 . . . . . 15910 2
89 . 1 1 105 105 GLY N N 15 1.5394 0.0856 . . . . . 15910 2
90 . 1 1 107 107 GLU N N 15 1.6168 0.0698 . . . . . 15910 2
91 . 1 1 108 108 HIS N N 15 1.7813 0.0515 . . . . . 15910 2
92 . 1 1 109 109 ILE N N 15 1.7054 0.0523 . . . . . 15910 2
93 . 1 1 110 110 LEU N N 15 1.6945 0.0401 . . . . . 15910 2
94 . 1 1 111 111 LEU N N 15 1.6745 0.0659 . . . . . 15910 2
95 . 1 1 112 112 GLY N N 15 1.7813 0.0501 . . . . . 15910 2
96 . 1 1 113 113 LEU N N 15 1.7241 0.0482 . . . . . 15910 2
97 . 1 1 116 116 GLU N N 15 1.7299 0.0504 . . . . . 15910 2
98 . 1 1 117 117 GLY N N 15 1.6526 0.0554 . . . . . 15910 2
99 . 1 1 119 119 GLY N N 15 1.5986 0.3060 . . . . . 15910 2
100 . 1 1 120 120 VAL N N 15 1.7392 0.1386 . . . . . 15910 2
101 . 1 1 121 121 ALA N N 15 1.7204 0.0540 . . . . . 15910 2
102 . 1 1 123 123 ARG N N 15 1.6077 0.0457 . . . . . 15910 2
103 . 1 1 126 126 ASN N N 15 1.6514 0.0447 . . . . . 15910 2
104 . 1 1 127 127 ASN N N 15 1.6071 0.0409 . . . . . 15910 2
105 . 1 1 128 128 LEU N N 15 1.6040 0.0458 . . . . . 15910 2
106 . 1 1 130 130 VAL N N 15 1.5199 0.0393 . . . . . 15910 2
107 . 1 1 131 131 SER N N 15 1.4168 0.0498 . . . . . 15910 2
108 . 1 1 132 132 LEU N N 15 1.7216 0.0522 . . . . . 15910 2
109 . 1 1 133 133 ASN N N 15 1.7052 0.0467 . . . . . 15910 2
110 . 1 1 134 134 LYS N N 15 1.6061 0.0761 . . . . . 15910 2
111 . 1 1 136 136 ARG N N 15 1.6664 0.0488 . . . . . 15910 2
112 . 1 1 138 138 GLN N N 15 1.6421 0.0401 . . . . . 15910 2
113 . 1 1 139 139 VAL N N 15 1.6669 0.0483 . . . . . 15910 2
114 . 1 1 140 140 LEU N N 15 1.7060 0.0462 . . . . . 15910 2
115 . 1 1 142 142 LEU N N 15 1.6037 0.0403 . . . . . 15910 2
116 . 1 1 143 143 LEU N N 15 1.5990 0.0398 . . . . . 15910 2
117 . 1 1 145 145 SER N N 15 1.5190 0.0259 . . . . . 15910 2
118 . 1 1 146 146 ASN N N 15 0.9232 0.0204 . . . . . 15910 2
stop_
save_
########################################
# Heteronuclear T2 relaxation values #
########################################
save_heteronuclear_T2_list_1
_Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation
_Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1
_Heteronucl_T2_list.Entry_ID 15910
_Heteronucl_T2_list.ID 1
_Heteronucl_T2_list.Sample_condition_list_ID 1
_Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_T2_list.Temp_calibration_method .
_Heteronucl_T2_list.Temp_control_method .
_Heteronucl_T2_list.Spectrometer_frequency_1H 499.8824609
_Heteronucl_T2_list.T2_coherence_type Nx
_Heteronucl_T2_list.T2_val_units s-1
_Heteronucl_T2_list.Rex_units .
_Heteronucl_T2_list.Details .
_Heteronucl_T2_list.Text_data_format .
_Heteronucl_T2_list.Text_data .
loop_
_Heteronucl_T2_experiment.Experiment_ID
_Heteronucl_T2_experiment.Experiment_name
_Heteronucl_T2_experiment.Sample_ID
_Heteronucl_T2_experiment.Sample_label
_Heteronucl_T2_experiment.Sample_state
_Heteronucl_T2_experiment.Entry_ID
_Heteronucl_T2_experiment.Heteronucl_T2_list_ID
7 '2D 1H-15N HSQC' . . . 15910 1
stop_
loop_
_T2.ID
_T2.Assembly_atom_ID
_T2.Entity_assembly_ID
_T2.Entity_ID
_T2.Comp_index_ID
_T2.Seq_ID
_T2.Comp_ID
_T2.Atom_ID
_T2.Atom_type
_T2.Atom_isotope_number
_T2.T2_val
_T2.T2_val_err
_T2.Rex_val
_T2.Rex_err
_T2.Resonance_ID
_T2.Auth_entity_assembly_ID
_T2.Auth_seq_ID
_T2.Auth_comp_ID
_T2.Auth_atom_ID
_T2.Entry_ID
_T2.Heteronucl_T2_list_ID
1 . 1 1 3 3 MET N N 15 3.4902 0.1312 . . . . . . . 15910 1
2 . 1 1 5 5 GLY N N 15 5.1088 0.1025 . . . . . . . 15910 1
3 . 1 1 6 6 ARG N N 15 7.3850 0.1424 . . . . . . . 15910 1
4 . 1 1 7 7 PHE N N 15 7.7752 0.1350 . . . . . . . 15910 1
5 . 1 1 8 8 THR N N 15 8.6802 0.1590 . . . . . . . 15910 1
6 . 1 1 9 9 GLU N N 15 9.3393 0.1557 . . . . . . . 15910 1
7 . 1 1 10 10 ARG N N 15 9.7395 0.1869 . . . . . . . 15910 1
8 . 1 1 11 11 ALA N N 15 9.3559 0.1523 . . . . . . . 15910 1
9 . 1 1 12 12 GLN N N 15 9.5333 0.1493 . . . . . . . 15910 1
10 . 1 1 13 13 LYS N N 15 9.8868 0.2399 . . . . . . . 15910 1
11 . 1 1 14 14 VAL N N 15 9.5140 0.1535 . . . . . . . 15910 1
12 . 1 1 15 15 LEU N N 15 9.5401 0.1627 . . . . . . . 15910 1
13 . 1 1 16 16 ALA N N 15 9.2984 0.1285 . . . . . . . 15910 1
14 . 1 1 17 17 LEU N N 15 9.3838 0.1675 . . . . . . . 15910 1
15 . 1 1 18 18 ALA N N 15 9.1887 0.1333 . . . . . . . 15910 1
16 . 1 1 19 19 GLN N N 15 9.3886 0.1374 . . . . . . . 15910 1
17 . 1 1 20 20 GLU N N 15 9.4322 0.1377 . . . . . . . 15910 1
18 . 1 1 21 21 GLU N N 15 9.4151 0.1529 . . . . . . . 15910 1
19 . 1 1 22 22 ALA N N 15 9.2763 0.1364 . . . . . . . 15910 1
20 . 1 1 23 23 LEU N N 15 9.4425 0.1488 . . . . . . . 15910 1
21 . 1 1 24 24 ARG N N 15 9.4281 0.1477 . . . . . . . 15910 1
22 . 1 1 25 25 LEU N N 15 9.7909 0.1825 . . . . . . . 15910 1
23 . 1 1 26 26 GLY N N 15 8.4493 0.1341 . . . . . . . 15910 1
24 . 1 1 27 27 HIS N N 15 8.8107 0.1429 . . . . . . . 15910 1
25 . 1 1 28 28 ASN N N 15 8.1552 0.1789 . . . . . . . 15910 1
26 . 1 1 29 29 ASN N N 15 8.4679 0.1472 . . . . . . . 15910 1
27 . 1 1 30 30 ILE N N 15 8.9592 0.1942 . . . . . . . 15910 1
28 . 1 1 31 31 GLY N N 15 8.5240 0.2276 . . . . . . . 15910 1
29 . 1 1 33 33 GLU N N 15 9.0924 0.1727 . . . . . . . 15910 1
30 . 1 1 34 34 HIS N N 15 9.0987 0.1685 . . . . . . . 15910 1
31 . 1 1 36 36 LEU N N 15 9.0939 0.1487 . . . . . . . 15910 1
32 . 1 1 37 37 LEU N N 15 9.0304 0.1516 . . . . . . . 15910 1
33 . 1 1 38 38 GLY N N 15 8.8620 0.1399 . . . . . . . 15910 1
34 . 1 1 39 39 LEU N N 15 8.8817 0.1349 . . . . . . . 15910 1
35 . 1 1 40 40 VAL N N 15 10.9845 0.1673 . . . . . . . 15910 1
36 . 1 1 41 41 ARG N N 15 7.3490 0.1637 . . . . . . . 15910 1
37 . 1 1 42 42 GLU N N 15 8.2889 0.1348 . . . . . . . 15910 1
38 . 1 1 43 43 GLY N N 15 12.8393 0.2788 . . . . . . . 15910 1
39 . 1 1 45 45 GLY N N 15 9.8693 0.3550 . . . . . . . 15910 1
40 . 1 1 46 46 ILE N N 15 9.1503 0.2067 . . . . . . . 15910 1
41 . 1 1 47 47 ALA N N 15 9.0319 0.1391 . . . . . . . 15910 1
42 . 1 1 48 48 ALA N N 15 8.3598 0.1322 . . . . . . . 15910 1
43 . 1 1 50 50 ALA N N 15 8.5769 0.1298 . . . . . . . 15910 1
44 . 1 1 53 53 ALA N N 15 8.5326 0.1195 . . . . . . . 15910 1
45 . 1 1 54 54 LEU N N 15 8.3216 0.1319 . . . . . . . 15910 1
46 . 1 1 55 55 GLY N N 15 8.5503 0.1357 . . . . . . . 15910 1
47 . 1 1 57 57 GLY N N 15 6.0268 0.1172 . . . . . . . 15910 1
48 . 1 1 58 58 SER N N 15 8.2209 0.1298 . . . . . . . 15910 1
49 . 1 1 59 59 GLU N N 15 8.5086 0.1159 . . . . . . . 15910 1
50 . 1 1 60 60 LYS N N 15 8.4094 0.1955 . . . . . . . 15910 1
51 . 1 1 61 61 ILE N N 15 8.6892 0.1318 . . . . . . . 15910 1
52 . 1 1 62 62 GLN N N 15 9.2085 0.1293 . . . . . . . 15910 1
53 . 1 1 64 64 GLU N N 15 9.0385 0.1373 . . . . . . . 15910 1
54 . 1 1 65 65 VAL N N 15 8.7297 0.1346 . . . . . . . 15910 1
55 . 1 1 66 66 GLU N N 15 9.3129 0.1446 . . . . . . . 15910 1
56 . 1 1 67 67 SER N N 15 9.1441 0.1237 . . . . . . . 15910 1
57 . 1 1 68 68 LEU N N 15 8.5791 0.1443 . . . . . . . 15910 1
58 . 1 1 69 69 ILE N N 15 10.0597 0.1725 . . . . . . . 15910 1
59 . 1 1 70 70 GLY N N 15 7.2507 0.1148 . . . . . . . 15910 1
60 . 1 1 71 71 ARG N N 15 6.7617 0.1096 . . . . . . . 15910 1
61 . 1 1 72 72 GLY N N 15 6.3347 0.1127 . . . . . . . 15910 1
62 . 1 1 73 73 GLN N N 15 5.4140 0.0969 . . . . . . . 15910 1
63 . 1 1 75 75 MET N N 15 4.6952 0.0991 . . . . . . . 15910 1
64 . 1 1 76 76 SER N N 15 4.7335 0.0981 . . . . . . . 15910 1
65 . 1 1 78 78 THR N N 15 6.1369 0.1093 . . . . . . . 15910 1
66 . 1 1 79 79 ILE N N 15 6.8748 0.1163 . . . . . . . 15910 1
67 . 1 1 80 80 HIS N N 15 7.3644 0.1400 . . . . . . . 15910 1
68 . 1 1 81 81 TYR N N 15 8.0984 0.1840 . . . . . . . 15910 1
69 . 1 1 82 82 THR N N 15 9.0680 0.1504 . . . . . . . 15910 1
70 . 1 1 84 84 ARG N N 15 10.2731 0.2169 . . . . . . . 15910 1
71 . 1 1 85 85 ALA N N 15 9.4749 0.1736 . . . . . . . 15910 1
72 . 1 1 86 86 LYS N N 15 8.0494 0.2321 . . . . . . . 15910 1
73 . 1 1 87 87 LYS N N 15 9.4507 0.2481 . . . . . . . 15910 1
74 . 1 1 88 88 VAL N N 15 9.7576 0.1738 . . . . . . . 15910 1
75 . 1 1 89 89 ILE N N 15 9.3898 0.1642 . . . . . . . 15910 1
76 . 1 1 90 90 GLU N N 15 9.4614 0.1404 . . . . . . . 15910 1
77 . 1 1 91 91 LEU N N 15 9.4668 0.1698 . . . . . . . 15910 1
78 . 1 1 92 92 SER N N 15 9.6826 0.1559 . . . . . . . 15910 1
79 . 1 1 93 93 MET N N 15 9.4713 0.1635 . . . . . . . 15910 1
80 . 1 1 94 94 ASP N N 15 9.2927 0.1500 . . . . . . . 15910 1
81 . 1 1 95 95 GLU N N 15 9.4099 0.1545 . . . . . . . 15910 1
82 . 1 1 96 96 ALA N N 15 9.3945 0.1494 . . . . . . . 15910 1
83 . 1 1 97 97 ARG N N 15 9.5448 0.1414 . . . . . . . 15910 1
84 . 1 1 100 100 GLY N N 15 8.8043 0.1443 . . . . . . . 15910 1
85 . 1 1 101 101 HIS N N 15 8.4339 0.1459 . . . . . . . 15910 1
86 . 1 1 102 102 SER N N 15 8.1779 0.4231 . . . . . . . 15910 1
87 . 1 1 103 103 TYR N N 15 7.7633 0.1257 . . . . . . . 15910 1
88 . 1 1 104 104 VAL N N 15 8.8391 0.1690 . . . . . . . 15910 1
89 . 1 1 105 105 GLY N N 15 8.5578 0.2444 . . . . . . . 15910 1
90 . 1 1 107 107 GLU N N 15 8.8609 0.1760 . . . . . . . 15910 1
91 . 1 1 108 108 HIS N N 15 8.7855 0.1613 . . . . . . . 15910 1
92 . 1 1 109 109 ILE N N 15 8.6650 0.1576 . . . . . . . 15910 1
93 . 1 1 110 110 LEU N N 15 9.0549 0.1351 . . . . . . . 15910 1
94 . 1 1 111 111 LEU N N 15 9.6296 0.1996 . . . . . . . 15910 1
95 . 1 1 112 112 GLY N N 15 9.0089 0.1508 . . . . . . . 15910 1
96 . 1 1 113 113 LEU N N 15 9.3154 0.1480 . . . . . . . 15910 1
97 . 1 1 116 116 GLU N N 15 8.6498 0.1371 . . . . . . . 15910 1
98 . 1 1 117 117 GLY N N 15 9.2118 0.1756 . . . . . . . 15910 1
99 . 1 1 119 119 GLY N N 15 10.7464 0.6819 . . . . . . . 15910 1
100 . 1 1 120 120 VAL N N 15 9.9274 0.2935 . . . . . . . 15910 1
101 . 1 1 121 121 ALA N N 15 9.3481 0.1460 . . . . . . . 15910 1
102 . 1 1 123 123 ARG N N 15 9.2471 0.1388 . . . . . . . 15910 1
103 . 1 1 126 126 ASN N N 15 9.1139 0.1335 . . . . . . . 15910 1
104 . 1 1 127 127 ASN N N 15 8.9571 0.1287 . . . . . . . 15910 1
105 . 1 1 128 128 LEU N N 15 8.4277 0.1375 . . . . . . . 15910 1
106 . 1 1 130 130 VAL N N 15 8.9072 0.1367 . . . . . . . 15910 1
107 . 1 1 131 131 SER N N 15 7.6697 0.1541 . . . . . . . 15910 1
108 . 1 1 132 132 LEU N N 15 8.4611 0.1555 . . . . . . . 15910 1
109 . 1 1 133 133 ASN N N 15 8.8239 0.1385 . . . . . . . 15910 1
110 . 1 1 134 134 LYS N N 15 8.8271 0.2326 . . . . . . . 15910 1
111 . 1 1 136 136 ARG N N 15 8.6207 0.1469 . . . . . . . 15910 1
112 . 1 1 138 138 GLN N N 15 9.2528 0.1304 . . . . . . . 15910 1
113 . 1 1 139 139 VAL N N 15 8.8116 0.1553 . . . . . . . 15910 1
114 . 1 1 140 140 LEU N N 15 9.0084 0.1437 . . . . . . . 15910 1
115 . 1 1 142 142 LEU N N 15 8.5845 0.1366 . . . . . . . 15910 1
116 . 1 1 143 143 LEU N N 15 7.7735 0.1236 . . . . . . . 15910 1
117 . 1 1 145 145 SER N N 15 3.4729 0.0794 . . . . . . . 15910 1
118 . 1 1 146 146 ASN N N 15 1.3287 0.0714 . . . . . . . 15910 1
stop_
save_
save_heteronuclear_T2_list_2
_Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation
_Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_2
_Heteronucl_T2_list.Entry_ID 15910
_Heteronucl_T2_list.ID 2
_Heteronucl_T2_list.Sample_condition_list_ID 1
_Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_T2_list.Temp_calibration_method .
_Heteronucl_T2_list.Temp_control_method .
_Heteronucl_T2_list.Spectrometer_frequency_1H 600.7904943
_Heteronucl_T2_list.T2_coherence_type Nx
_Heteronucl_T2_list.T2_val_units s-1
_Heteronucl_T2_list.Rex_units .
_Heteronucl_T2_list.Details .
_Heteronucl_T2_list.Text_data_format .
_Heteronucl_T2_list.Text_data .
loop_
_Heteronucl_T2_experiment.Experiment_ID
_Heteronucl_T2_experiment.Experiment_name
_Heteronucl_T2_experiment.Sample_ID
_Heteronucl_T2_experiment.Sample_label
_Heteronucl_T2_experiment.Sample_state
_Heteronucl_T2_experiment.Entry_ID
_Heteronucl_T2_experiment.Heteronucl_T2_list_ID
8 '2D 1H-15N HSQC' . . . 15910 2
stop_
loop_
_T2.ID
_T2.Assembly_atom_ID
_T2.Entity_assembly_ID
_T2.Entity_ID
_T2.Comp_index_ID
_T2.Seq_ID
_T2.Comp_ID
_T2.Atom_ID
_T2.Atom_type
_T2.Atom_isotope_number
_T2.T2_val
_T2.T2_val_err
_T2.Rex_val
_T2.Rex_err
_T2.Resonance_ID
_T2.Auth_entity_assembly_ID
_T2.Auth_seq_ID
_T2.Auth_comp_ID
_T2.Auth_atom_ID
_T2.Entry_ID
_T2.Heteronucl_T2_list_ID
1 . 1 1 3 3 MET N N 15 3.6808 0.1755 . . . . . . . 15910 2
2 . 1 1 5 5 GLY N N 15 5.4758 0.1406 . . . . . . . 15910 2
3 . 1 1 6 6 ARG N N 15 6.8138 0.1628 . . . . . . . 15910 2
4 . 1 1 7 7 PHE N N 15 8.4617 0.2032 . . . . . . . 15910 2
5 . 1 1 8 8 THR N N 15 9.4754 0.2564 . . . . . . . 15910 2
6 . 1 1 9 9 GLU N N 15 9.7610 0.2705 . . . . . . . 15910 2
7 . 1 1 10 10 ARG N N 15 10.6875 0.3342 . . . . . . . 15910 2
8 . 1 1 11 11 ALA N N 15 9.8488 0.2847 . . . . . . . 15910 2
9 . 1 1 12 12 GLN N N 15 10.2173 0.2598 . . . . . . . 15910 2
10 . 1 1 13 13 LYS N N 15 10.3094 0.4672 . . . . . . . 15910 2
11 . 1 1 14 14 VAL N N 15 10.2696 0.2505 . . . . . . . 15910 2
12 . 1 1 15 15 LEU N N 15 10.4663 0.2770 . . . . . . . 15910 2
13 . 1 1 16 16 ALA N N 15 10.1790 0.2301 . . . . . . . 15910 2
14 . 1 1 17 17 LEU N N 15 10.0719 0.2649 . . . . . . . 15910 2
15 . 1 1 18 18 ALA N N 15 10.0689 0.2335 . . . . . . . 15910 2
16 . 1 1 19 19 GLN N N 15 10.2384 0.2358 . . . . . . . 15910 2
17 . 1 1 20 20 GLU N N 15 10.1511 0.2350 . . . . . . . 15910 2
18 . 1 1 21 21 GLU N N 15 10.1631 0.2690 . . . . . . . 15910 2
19 . 1 1 22 22 ALA N N 15 10.0856 0.2358 . . . . . . . 15910 2
20 . 1 1 23 23 LEU N N 15 10.2973 0.2394 . . . . . . . 15910 2
21 . 1 1 24 24 ARG N N 15 10.5723 0.2447 . . . . . . . 15910 2
22 . 1 1 25 25 LEU N N 15 11.0681 0.3350 . . . . . . . 15910 2
23 . 1 1 26 26 GLY N N 15 9.4611 0.2155 . . . . . . . 15910 2
24 . 1 1 27 27 HIS N N 15 9.6468 0.2309 . . . . . . . 15910 2
25 . 1 1 28 28 ASN N N 15 9.1973 0.3083 . . . . . . . 15910 2
26 . 1 1 29 29 ASN N N 15 9.8974 0.2433 . . . . . . . 15910 2
27 . 1 1 30 30 ILE N N 15 9.8127 0.3494 . . . . . . . 15910 2
28 . 1 1 31 31 GLY N N 15 9.1138 0.4888 . . . . . . . 15910 2
29 . 1 1 33 33 GLU N N 15 10.2176 0.3809 . . . . . . . 15910 2
30 . 1 1 34 34 HIS N N 15 10.0750 0.2976 . . . . . . . 15910 2
31 . 1 1 36 36 LEU N N 15 9.6776 0.2336 . . . . . . . 15910 2
32 . 1 1 37 37 LEU N N 15 9.9855 0.2466 . . . . . . . 15910 2
33 . 1 1 38 38 GLY N N 15 9.7084 0.2220 . . . . . . . 15910 2
34 . 1 1 39 39 LEU N N 15 9.7011 0.2260 . . . . . . . 15910 2
35 . 1 1 40 40 VAL N N 15 12.3856 0.2817 . . . . . . . 15910 2
36 . 1 1 41 41 ARG N N 15 9.5375 0.2688 . . . . . . . 15910 2
37 . 1 1 42 42 GLU N N 15 8.9503 0.2193 . . . . . . . 15910 2
38 . 1 1 43 43 GLY N N 15 16.3737 0.7595 . . . . . . . 15910 2
39 . 1 1 45 45 GLY N N 15 11.7728 1.0109 . . . . . . . 15910 2
40 . 1 1 46 46 ILE N N 15 9.9154 0.4096 . . . . . . . 15910 2
41 . 1 1 47 47 ALA N N 15 9.8185 0.2420 . . . . . . . 15910 2
42 . 1 1 48 48 ALA N N 15 9.0469 0.2044 . . . . . . . 15910 2
43 . 1 1 50 50 ALA N N 15 9.4570 0.2016 . . . . . . . 15910 2
44 . 1 1 53 53 ALA N N 15 9.5010 0.1916 . . . . . . . 15910 2
45 . 1 1 54 54 LEU N N 15 8.9769 0.2216 . . . . . . . 15910 2
46 . 1 1 55 55 GLY N N 15 9.0275 0.1879 . . . . . . . 15910 2
47 . 1 1 57 57 GLY N N 15 6.7856 0.1679 . . . . . . . 15910 2
48 . 1 1 58 58 SER N N 15 9.0252 0.2148 . . . . . . . 15910 2
49 . 1 1 59 59 GLU N N 15 9.2432 0.1704 . . . . . . . 15910 2
50 . 1 1 60 60 LYS N N 15 9.0306 0.3462 . . . . . . . 15910 2
51 . 1 1 61 61 ILE N N 15 9.4158 0.2116 . . . . . . . 15910 2
52 . 1 1 62 62 GLN N N 15 9.8215 0.2227 . . . . . . . 15910 2
53 . 1 1 64 64 GLU N N 15 9.8469 0.2135 . . . . . . . 15910 2
54 . 1 1 65 65 VAL N N 15 9.5384 0.2028 . . . . . . . 15910 2
55 . 1 1 66 66 GLU N N 15 10.0815 0.2314 . . . . . . . 15910 2
56 . 1 1 67 67 SER N N 15 9.9037 0.1971 . . . . . . . 15910 2
57 . 1 1 68 68 LEU N N 15 9.3062 0.2208 . . . . . . . 15910 2
58 . 1 1 69 69 ILE N N 15 12.0163 0.3256 . . . . . . . 15910 2
59 . 1 1 70 70 GLY N N 15 7.8548 0.1750 . . . . . . . 15910 2
60 . 1 1 71 71 ARG N N 15 7.5495 0.1547 . . . . . . . 15910 2
61 . 1 1 72 72 GLY N N 15 6.9657 0.1637 . . . . . . . 15910 2
62 . 1 1 73 73 GLN N N 15 5.8690 0.1467 . . . . . . . 15910 2
63 . 1 1 75 75 MET N N 15 5.1046 0.1272 . . . . . . . 15910 2
64 . 1 1 76 76 SER N N 15 5.1977 0.1281 . . . . . . . 15910 2
65 . 1 1 78 78 THR N N 15 6.9445 0.1494 . . . . . . . 15910 2
66 . 1 1 79 79 ILE N N 15 7.7839 0.1895 . . . . . . . 15910 2
67 . 1 1 80 80 HIS N N 15 8.0891 0.2157 . . . . . . . 15910 2
68 . 1 1 81 81 TYR N N 15 8.8131 0.3234 . . . . . . . 15910 2
69 . 1 1 82 82 THR N N 15 10.0454 0.2716 . . . . . . . 15910 2
70 . 1 1 84 84 ARG N N 15 11.2310 0.4127 . . . . . . . 15910 2
71 . 1 1 85 85 ALA N N 15 10.1994 0.3103 . . . . . . . 15910 2
72 . 1 1 86 86 LYS N N 15 9.3715 0.4610 . . . . . . . 15910 2
73 . 1 1 87 87 LYS N N 15 10.1167 0.4490 . . . . . . . 15910 2
74 . 1 1 88 88 VAL N N 15 10.5608 0.2634 . . . . . . . 15910 2
75 . 1 1 89 89 ILE N N 15 10.3468 0.2686 . . . . . . . 15910 2
76 . 1 1 90 90 GLU N N 15 10.3656 0.2389 . . . . . . . 15910 2
77 . 1 1 91 91 LEU N N 15 10.1152 0.2642 . . . . . . . 15910 2
78 . 1 1 92 92 SER N N 15 10.6012 0.2389 . . . . . . . 15910 2
79 . 1 1 93 93 MET N N 15 10.1249 0.2792 . . . . . . . 15910 2
80 . 1 1 94 94 ASP N N 15 10.2411 0.2436 . . . . . . . 15910 2
81 . 1 1 95 95 GLU N N 15 10.3829 0.2685 . . . . . . . 15910 2
82 . 1 1 96 96 ALA N N 15 10.2405 0.2383 . . . . . . . 15910 2
83 . 1 1 97 97 ARG N N 15 10.2462 0.2364 . . . . . . . 15910 2
84 . 1 1 100 100 GLY N N 15 9.2368 0.2191 . . . . . . . 15910 2
85 . 1 1 101 101 HIS N N 15 9.4536 0.2341 . . . . . . . 15910 2
86 . 1 1 102 102 SER N N 15 9.0809 0.8302 . . . . . . . 15910 2
87 . 1 1 103 103 TYR N N 15 8.4787 0.2051 . . . . . . . 15910 2
88 . 1 1 104 104 VAL N N 15 9.8850 0.3129 . . . . . . . 15910 2
89 . 1 1 105 105 GLY N N 15 9.1729 0.4850 . . . . . . . 15910 2
90 . 1 1 107 107 GLU N N 15 10.1016 0.3669 . . . . . . . 15910 2
91 . 1 1 108 108 HIS N N 15 9.5638 0.2607 . . . . . . . 15910 2
92 . 1 1 109 109 ILE N N 15 9.5164 0.2512 . . . . . . . 15910 2
93 . 1 1 110 110 LEU N N 15 9.6514 0.2214 . . . . . . . 15910 2
94 . 1 1 111 111 LEU N N 15 10.6320 0.3717 . . . . . . . 15910 2
95 . 1 1 112 112 GLY N N 15 9.5822 0.2501 . . . . . . . 15910 2
96 . 1 1 113 113 LEU N N 15 10.4627 0.2414 . . . . . . . 15910 2
97 . 1 1 116 116 GLU N N 15 9.5129 0.2311 . . . . . . . 15910 2
98 . 1 1 117 117 GLY N N 15 10.7389 0.3348 . . . . . . . 15910 2
99 . 1 1 119 119 GLY N N 15 12.1689 2.4348 . . . . . . . 15910 2
100 . 1 1 120 120 VAL N N 15 11.9390 0.8588 . . . . . . . 15910 2
101 . 1 1 121 121 ALA N N 15 10.3399 0.2744 . . . . . . . 15910 2
102 . 1 1 123 123 ARG N N 15 10.1545 0.2378 . . . . . . . 15910 2
103 . 1 1 126 126 ASN N N 15 9.9280 0.2184 . . . . . . . 15910 2
104 . 1 1 127 127 ASN N N 15 9.6488 0.1925 . . . . . . . 15910 2
105 . 1 1 128 128 LEU N N 15 9.1375 0.2136 . . . . . . . 15910 2
106 . 1 1 130 130 VAL N N 15 9.5917 0.2234 . . . . . . . 15910 2
107 . 1 1 131 131 SER N N 15 8.7250 0.2819 . . . . . . . 15910 2
108 . 1 1 132 132 LEU N N 15 9.2600 0.2552 . . . . . . . 15910 2
109 . 1 1 133 133 ASN N N 15 9.6956 0.2175 . . . . . . . 15910 2
110 . 1 1 134 134 LYS N N 15 10.0175 0.4360 . . . . . . . 15910 2
111 . 1 1 136 136 ARG N N 15 9.4435 0.2394 . . . . . . . 15910 2
112 . 1 1 138 138 GLN N N 15 9.8018 0.2116 . . . . . . . 15910 2
113 . 1 1 139 139 VAL N N 15 9.6858 0.2653 . . . . . . . 15910 2
114 . 1 1 140 140 LEU N N 15 9.7873 0.2428 . . . . . . . 15910 2
115 . 1 1 142 142 LEU N N 15 9.2088 0.2136 . . . . . . . 15910 2
116 . 1 1 143 143 LEU N N 15 8.3914 0.1851 . . . . . . . 15910 2
117 . 1 1 145 145 SER N N 15 3.7076 0.1005 . . . . . . . 15910 2
118 . 1 1 146 146 ASN N N 15 1.4962 0.0939 . . . . . . . 15910 2
stop_
save_
save_D_CSA_cross_correlation_relaxation_list_1
_Cross_correlation_D_CSA_list.Sf_category dipole_CSA_cross_correlations
_Cross_correlation_D_CSA_list.Sf_framecode D_CSA_cross_correlation_relaxation_list_1
_Cross_correlation_D_CSA_list.Entry_ID 15910
_Cross_correlation_D_CSA_list.ID 1
_Cross_correlation_D_CSA_list.Sample_condition_list_ID 1
_Cross_correlation_D_CSA_list.Sample_condition_list_label $sample_conditions_1
_Cross_correlation_D_CSA_list.Spectrometer_frequency_1H 600.7904943
_Cross_correlation_D_CSA_list.Val_units s-1
_Cross_correlation_D_CSA_list.Details
;
Kroenke, C.D., Loria, J.P., Lee, L.K., Rance, M., and Palmer, A.G.III. (1998).
Longitudinal and Transverse 1H-15N Dipolar/15N Chemical Shift Anisotropy
Relaxation Interference: Unambiguous Determination of Rotational Diffusion
Tensors and Chemical Exchange Effects in Biological Macromolecules. J Am Chem
Soc 120, 7905-7915.
;
_Cross_correlation_D_CSA_list.Text_data_format .
_Cross_correlation_D_CSA_list.Text_data .
loop_
_Cross_correlation_D_CSA_experiment.Experiment_ID
_Cross_correlation_D_CSA_experiment.Experiment_name
_Cross_correlation_D_CSA_experiment.Sample_ID
_Cross_correlation_D_CSA_experiment.Sample_label
_Cross_correlation_D_CSA_experiment.Sample_state
_Cross_correlation_D_CSA_experiment.Entry_ID
_Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID
8 '2D 1H-15N HSQC' . . . 15910 1
stop_
loop_
_Cross_correlation_D_CSA.ID
_Cross_correlation_D_CSA.Dipole_assembly_atom_ID_1
_Cross_correlation_D_CSA.Dipole_entity_assembly_ID_1
_Cross_correlation_D_CSA.Dipole_entity_ID_1
_Cross_correlation_D_CSA.Dipole_comp_index_ID_1
_Cross_correlation_D_CSA.Dipole_seq_ID_1
_Cross_correlation_D_CSA.Dipole_comp_ID_1
_Cross_correlation_D_CSA.Dipole_atom_ID_1
_Cross_correlation_D_CSA.Dipole_atom_type_1
_Cross_correlation_D_CSA.Dipole_atom_isotope_number_1
_Cross_correlation_D_CSA.Dipole_assembly_atom_ID_2
_Cross_correlation_D_CSA.Dipole_entity_assembly_ID_2
_Cross_correlation_D_CSA.Dipole_entity_ID_2
_Cross_correlation_D_CSA.Dipole_comp_index_ID_2
_Cross_correlation_D_CSA.Dipole_seq_ID_2
_Cross_correlation_D_CSA.Dipole_comp_ID_2
_Cross_correlation_D_CSA.Dipole_atom_ID_2
_Cross_correlation_D_CSA.Dipole_atom_type_2
_Cross_correlation_D_CSA.Dipole_atom_isotope_number_2
_Cross_correlation_D_CSA.CSA_assembly_atom_ID_1
_Cross_correlation_D_CSA.CSA_entity_assembly_ID_1
_Cross_correlation_D_CSA.CSA_entity_ID_1
_Cross_correlation_D_CSA.CSA_comp_index_ID_1
_Cross_correlation_D_CSA.CSA_seq_ID_1
_Cross_correlation_D_CSA.CSA_comp_ID_1
_Cross_correlation_D_CSA.CSA_atom_ID_1
_Cross_correlation_D_CSA.CSA_atom_type_1
_Cross_correlation_D_CSA.CSA_atom_isotope_number_1
_Cross_correlation_D_CSA.CSA_assembly_atom_ID_2
_Cross_correlation_D_CSA.CSA_entity_assembly_ID_2
_Cross_correlation_D_CSA.CSA_entity_ID_2
_Cross_correlation_D_CSA.CSA_comp_index_ID_2
_Cross_correlation_D_CSA.CSA_seq_ID_2
_Cross_correlation_D_CSA.CSA_comp_ID_2
_Cross_correlation_D_CSA.CSA_atom_ID_2
_Cross_correlation_D_CSA.CSA_atom_type_2
_Cross_correlation_D_CSA.CSA_atom_isotope_number_2
_Cross_correlation_D_CSA.Val
_Cross_correlation_D_CSA.Val_err
_Cross_correlation_D_CSA.Dipole_resonance_ID_1
_Cross_correlation_D_CSA.Dipole_resonance_ID_2
_Cross_correlation_D_CSA.CSA_resonance_ID_1
_Cross_correlation_D_CSA.CSA_resonance_ID_2
_Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_1
_Cross_correlation_D_CSA.Dipole_auth_seq_ID_1
_Cross_correlation_D_CSA.Dipole_auth_comp_ID_1
_Cross_correlation_D_CSA.Dipole_auth_atom_ID_1
_Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_2
_Cross_correlation_D_CSA.Dipole_auth_seq_ID_2
_Cross_correlation_D_CSA.Dipole_auth_comp_ID_2
_Cross_correlation_D_CSA.Dipole_auth_atom_ID_2
_Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_1
_Cross_correlation_D_CSA.CSA_auth_seq_ID_1
_Cross_correlation_D_CSA.CSA_auth_comp_ID_1
_Cross_correlation_D_CSA.CSA_auth_atom_ID_1
_Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_2
_Cross_correlation_D_CSA.CSA_auth_seq_ID_2
_Cross_correlation_D_CSA.CSA_auth_comp_ID_2
_Cross_correlation_D_CSA.CSA_auth_atom_ID_2
_Cross_correlation_D_CSA.Entry_ID
_Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID
1 . 1 . 3 . MET N N 15 . 1 . 3 . MET H H 1 . 1 . 3 . MET N N 15 . . . . . . . . . 2.0568 0.0597 . . . . . . . . . . . . . . . . . . . . 15910 1
2 . 1 . 4 . PHE N N 15 . 1 . 4 . PHE H H 1 . 1 . 4 . PHE N N 15 . . . . . . . . . 2.8085 0.0615 . . . . . . . . . . . . . . . . . . . . 15910 1
3 . 1 . 5 . GLY N N 15 . 1 . 5 . GLY H H 1 . 1 . 5 . GLY N N 15 . . . . . . . . . 3.1987 0.0627 . . . . . . . . . . . . . . . . . . . . 15910 1
4 . 1 . 6 . ARG N N 15 . 1 . 6 . ARG H H 1 . 1 . 6 . ARG N N 15 . . . . . . . . . 4.6597 0.0686 . . . . . . . . . . . . . . . . . . . . 15910 1
5 . 1 . 7 . PHE N N 15 . 1 . 7 . PHE H H 1 . 1 . 7 . PHE N N 15 . . . . . . . . . 5.7020 0.0743 . . . . . . . . . . . . . . . . . . . . 15910 1
6 . 1 . 8 . THR N N 15 . 1 . 8 . THR H H 1 . 1 . 8 . THR N N 15 . . . . . . . . . 6.4326 0.0790 . . . . . . . . . . . . . . . . . . . . 15910 1
7 . 1 . 9 . GLU N N 15 . 1 . 9 . GLU H H 1 . 1 . 9 . GLU N N 15 . . . . . . . . . 7.2714 0.0853 . . . . . . . . . . . . . . . . . . . . 15910 1
8 . 1 . 10 . ARG N N 15 . 1 . 10 . ARG H H 1 . 1 . 10 . ARG N N 15 . . . . . . . . . 7.2969 0.0855 . . . . . . . . . . . . . . . . . . . . 15910 1
9 . 1 . 11 . ALA N N 15 . 1 . 11 . ALA H H 1 . 1 . 11 . ALA N N 15 . . . . . . . . . 7.4078 0.0864 . . . . . . . . . . . . . . . . . . . . 15910 1
10 . 1 . 12 . GLN N N 15 . 1 . 12 . GLN H H 1 . 1 . 12 . GLN N N 15 . . . . . . . . . 7.2334 0.0850 . . . . . . . . . . . . . . . . . . . . 15910 1
11 . 1 . 13 . LYS N N 15 . 1 . 13 . LYS H H 1 . 1 . 13 . LYS N N 15 . . . . . . . . . 7.7800 0.0895 . . . . . . . . . . . . . . . . . . . . 15910 1
12 . 1 . 14 . VAL N N 15 . 1 . 14 . VAL H H 1 . 1 . 14 . VAL N N 15 . . . . . . . . . 7.4189 0.0865 . . . . . . . . . . . . . . . . . . . . 15910 1
13 . 1 . 15 . LEU N N 15 . 1 . 15 . LEU H H 1 . 1 . 15 . LEU N N 15 . . . . . . . . . 7.1570 0.0844 . . . . . . . . . . . . . . . . . . . . 15910 1
14 . 1 . 16 . ALA N N 15 . 1 . 16 . ALA H H 1 . 1 . 16 . ALA N N 15 . . . . . . . . . 8.0720 0.0921 . . . . . . . . . . . . . . . . . . . . 15910 1
15 . 1 . 17 . LEU N N 15 . 1 . 17 . LEU H H 1 . 1 . 17 . LEU N N 15 . . . . . . . . . 7.4283 0.0866 . . . . . . . . . . . . . . . . . . . . 15910 1
16 . 1 . 18 . ALA N N 15 . 1 . 18 . ALA H H 1 . 1 . 18 . ALA N N 15 . . . . . . . . . 7.4657 0.0869 . . . . . . . . . . . . . . . . . . . . 15910 1
17 . 1 . 19 . GLN N N 15 . 1 . 19 . GLN H H 1 . 1 . 19 . GLN N N 15 . . . . . . . . . 7.5443 0.0875 . . . . . . . . . . . . . . . . . . . . 15910 1
18 . 1 . 20 . GLU N N 15 . 1 . 20 . GLU H H 1 . 1 . 20 . GLU N N 15 . . . . . . . . . 7.5843 0.0879 . . . . . . . . . . . . . . . . . . . . 15910 1
19 . 1 . 21 . GLU N N 15 . 1 . 21 . GLU H H 1 . 1 . 21 . GLU N N 15 . . . . . . . . . 7.3678 0.0861 . . . . . . . . . . . . . . . . . . . . 15910 1
20 . 1 . 22 . ALA N N 15 . 1 . 22 . ALA H H 1 . 1 . 22 . ALA N N 15 . . . . . . . . . 7.3541 0.0860 . . . . . . . . . . . . . . . . . . . . 15910 1
21 . 1 . 23 . LEU N N 15 . 1 . 23 . LEU H H 1 . 1 . 23 . LEU N N 15 . . . . . . . . . 7.3531 0.0859 . . . . . . . . . . . . . . . . . . . . 15910 1
22 . 1 . 24 . ARG N N 15 . 1 . 24 . ARG H H 1 . 1 . 24 . ARG N N 15 . . . . . . . . . 7.1711 0.0845 . . . . . . . . . . . . . . . . . . . . 15910 1
23 . 1 . 25 . LEU N N 15 . 1 . 25 . LEU H H 1 . 1 . 25 . LEU N N 15 . . . . . . . . . 6.6339 0.0804 . . . . . . . . . . . . . . . . . . . . 15910 1
24 . 1 . 26 . GLY N N 15 . 1 . 26 . GLY H H 1 . 1 . 26 . GLY N N 15 . . . . . . . . . 6.9234 0.0826 . . . . . . . . . . . . . . . . . . . . 15910 1
25 . 1 . 27 . HIS N N 15 . 1 . 27 . HIS H H 1 . 1 . 27 . HIS N N 15 . . . . . . . . . 6.6095 0.0803 . . . . . . . . . . . . . . . . . . . . 15910 1
26 . 1 . 28 . ASN N N 15 . 1 . 28 . ASN H H 1 . 1 . 28 . ASN N N 15 . . . . . . . . . 5.3762 0.0723 . . . . . . . . . . . . . . . . . . . . 15910 1
27 . 1 . 29 . ASN N N 15 . 1 . 29 . ASN H H 1 . 1 . 29 . ASN N N 15 . . . . . . . . . 5.9856 0.0760 . . . . . . . . . . . . . . . . . . . . 15910 1
28 . 1 . 30 . ILE N N 15 . 1 . 30 . ILE H H 1 . 1 . 30 . ILE N N 15 . . . . . . . . . 6.0490 0.0764 . . . . . . . . . . . . . . . . . . . . 15910 1
29 . 1 . 31 . GLY N N 15 . 1 . 31 . GLY H H 1 . 1 . 31 . GLY N N 15 . . . . . . . . . 5.0402 0.0705 . . . . . . . . . . . . . . . . . . . . 15910 1
30 . 1 . 33 . GLU N N 15 . 1 . 33 . GLU H H 1 . 1 . 33 . GLU N N 15 . . . . . . . . . 6.6090 0.0803 . . . . . . . . . . . . . . . . . . . . 15910 1
31 . 1 . 34 . HIS N N 15 . 1 . 34 . HIS H H 1 . 1 . 34 . HIS N N 15 . . . . . . . . . 6.7566 0.0813 . . . . . . . . . . . . . . . . . . . . 15910 1
32 . 1 . 36 . LEU N N 15 . 1 . 36 . LEU H H 1 . 1 . 36 . LEU N N 15 . . . . . . . . . 7.1334 0.0842 . . . . . . . . . . . . . . . . . . . . 15910 1
33 . 1 . 37 . LEU N N 15 . 1 . 37 . LEU H H 1 . 1 . 37 . LEU N N 15 . . . . . . . . . 6.7196 0.0811 . . . . . . . . . . . . . . . . . . . . 15910 1
34 . 1 . 38 . GLY N N 15 . 1 . 38 . GLY H H 1 . 1 . 38 . GLY N N 15 . . . . . . . . . 6.6744 0.0807 . . . . . . . . . . . . . . . . . . . . 15910 1
35 . 1 . 39 . LEU N N 15 . 1 . 39 . LEU H H 1 . 1 . 39 . LEU N N 15 . . . . . . . . . 6.8670 0.0821 . . . . . . . . . . . . . . . . . . . . 15910 1
36 . 1 . 40 . VAL N N 15 . 1 . 40 . VAL H H 1 . 1 . 40 . VAL N N 15 . . . . . . . . . 7.1759 0.0845 . . . . . . . . . . . . . . . . . . . . 15910 1
37 . 1 . 41 . ARG N N 15 . 1 . 41 . ARG H H 1 . 1 . 41 . ARG N N 15 . . . . . . . . . 6.5267 0.0797 . . . . . . . . . . . . . . . . . . . . 15910 1
38 . 1 . 42 . GLU N N 15 . 1 . 42 . GLU H H 1 . 1 . 42 . GLU N N 15 . . . . . . . . . 6.6757 0.0807 . . . . . . . . . . . . . . . . . . . . 15910 1
39 . 1 . 43 . GLY N N 15 . 1 . 43 . GLY H H 1 . 1 . 43 . GLY N N 15 . . . . . . . . . 5.5020 0.0731 . . . . . . . . . . . . . . . . . . . . 15910 1
40 . 1 . 44 . GLU N N 15 . 1 . 44 . GLU H H 1 . 1 . 44 . GLU N N 15 . . . . . . . . . 5.8156 0.0749 . . . . . . . . . . . . . . . . . . . . 15910 1
41 . 1 . 46 . ILE N N 15 . 1 . 46 . ILE H H 1 . 1 . 46 . ILE N N 15 . . . . . . . . . 6.4280 0.0790 . . . . . . . . . . . . . . . . . . . . 15910 1
42 . 1 . 47 . ALA N N 15 . 1 . 47 . ALA H H 1 . 1 . 47 . ALA N N 15 . . . . . . . . . 7.3599 0.0860 . . . . . . . . . . . . . . . . . . . . 15910 1
43 . 1 . 48 . ALA N N 15 . 1 . 48 . ALA H H 1 . 1 . 48 . ALA N N 15 . . . . . . . . . 6.5016 0.0795 . . . . . . . . . . . . . . . . . . . . 15910 1
44 . 1 . 50 . ALA N N 15 . 1 . 50 . ALA H H 1 . 1 . 50 . ALA N N 15 . . . . . . . . . 7.3979 0.0863 . . . . . . . . . . . . . . . . . . . . 15910 1
45 . 1 . 52 . GLN N N 15 . 1 . 52 . GLN H H 1 . 1 . 52 . GLN N N 15 . . . . . . . . . 6.9223 0.0826 . . . . . . . . . . . . . . . . . . . . 15910 1
46 . 1 . 53 . ALA N N 15 . 1 . 53 . ALA H H 1 . 1 . 53 . ALA N N 15 . . . . . . . . . 7.0340 0.0834 . . . . . . . . . . . . . . . . . . . . 15910 1
47 . 1 . 54 . LEU N N 15 . 1 . 54 . LEU H H 1 . 1 . 54 . LEU N N 15 . . . . . . . . . 6.0738 0.0766 . . . . . . . . . . . . . . . . . . . . 15910 1
48 . 1 . 55 . GLY N N 15 . 1 . 55 . GLY H H 1 . 1 . 55 . GLY N N 15 . . . . . . . . . 6.7442 0.0812 . . . . . . . . . . . . . . . . . . . . 15910 1
49 . 1 . 57 . GLY N N 15 . 1 . 57 . GLY H H 1 . 1 . 57 . GLY N N 15 . . . . . . . . . 3.8971 0.0652 . . . . . . . . . . . . . . . . . . . . 15910 1
50 . 1 . 58 . SER N N 15 . 1 . 58 . SER H H 1 . 1 . 58 . SER N N 15 . . . . . . . . . 6.1521 0.0771 . . . . . . . . . . . . . . . . . . . . 15910 1
51 . 1 . 59 . GLU N N 15 . 1 . 59 . GLU H H 1 . 1 . 59 . GLU N N 15 . . . . . . . . . 6.9644 0.0829 . . . . . . . . . . . . . . . . . . . . 15910 1
52 . 1 . 60 . LYS N N 15 . 1 . 60 . LYS H H 1 . 1 . 60 . LYS N N 15 . . . . . . . . . 6.9063 0.0824 . . . . . . . . . . . . . . . . . . . . 15910 1
53 . 1 . 61 . ILE N N 15 . 1 . 61 . ILE H H 1 . 1 . 61 . ILE N N 15 . . . . . . . . . 6.7297 0.0811 . . . . . . . . . . . . . . . . . . . . 15910 1
54 . 1 . 62 . GLN N N 15 . 1 . 62 . GLN H H 1 . 1 . 62 . GLN N N 15 . . . . . . . . . 7.0801 0.0838 . . . . . . . . . . . . . . . . . . . . 15910 1
55 . 1 . 63 . LYS N N 15 . 1 . 63 . LYS H H 1 . 1 . 63 . LYS N N 15 . . . . . . . . . 7.1913 0.0846 . . . . . . . . . . . . . . . . . . . . 15910 1
56 . 1 . 64 . GLU N N 15 . 1 . 64 . GLU H H 1 . 1 . 64 . GLU N N 15 . . . . . . . . . 7.1959 0.0847 . . . . . . . . . . . . . . . . . . . . 15910 1
57 . 1 . 65 . VAL N N 15 . 1 . 65 . VAL H H 1 . 1 . 65 . VAL N N 15 . . . . . . . . . 6.7614 0.0814 . . . . . . . . . . . . . . . . . . . . 15910 1
58 . 1 . 66 . GLU N N 15 . 1 . 66 . GLU H H 1 . 1 . 66 . GLU N N 15 . . . . . . . . . 6.8195 0.0818 . . . . . . . . . . . . . . . . . . . . 15910 1
59 . 1 . 67 . SER N N 15 . 1 . 67 . SER H H 1 . 1 . 67 . SER N N 15 . . . . . . . . . 7.0716 0.0837 . . . . . . . . . . . . . . . . . . . . 15910 1
60 . 1 . 68 . LEU N N 15 . 1 . 68 . LEU H H 1 . 1 . 68 . LEU N N 15 . . . . . . . . . 6.6695 0.0807 . . . . . . . . . . . . . . . . . . . . 15910 1
61 . 1 . 69 . ILE N N 15 . 1 . 69 . ILE H H 1 . 1 . 69 . ILE N N 15 . . . . . . . . . 6.0618 0.0765 . . . . . . . . . . . . . . . . . . . . 15910 1
62 . 1 . 70 . GLY N N 15 . 1 . 70 . GLY H H 1 . 1 . 70 . GLY N N 15 . . . . . . . . . 5.2773 0.0718 . . . . . . . . . . . . . . . . . . . . 15910 1
63 . 1 . 71 . ARG N N 15 . 1 . 71 . ARG H H 1 . 1 . 71 . ARG N N 15 . . . . . . . . . 4.6079 0.0683 . . . . . . . . . . . . . . . . . . . . 15910 1
64 . 1 . 72 . GLY N N 15 . 1 . 72 . GLY H H 1 . 1 . 72 . GLY N N 15 . . . . . . . . . 4.0811 0.0660 . . . . . . . . . . . . . . . . . . . . 15910 1
65 . 1 . 73 . GLN N N 15 . 1 . 73 . GLN H H 1 . 1 . 73 . GLN N N 15 . . . . . . . . . 3.8265 0.0649 . . . . . . . . . . . . . . . . . . . . 15910 1
66 . 1 . 75 . MET N N 15 . 1 . 75 . MET H H 1 . 1 . 75 . MET N N 15 . . . . . . . . . 3.3795 0.0633 . . . . . . . . . . . . . . . . . . . . 15910 1
67 . 1 . 76 . SER N N 15 . 1 . 76 . SER H H 1 . 1 . 76 . SER N N 15 . . . . . . . . . 3.2371 0.0628 . . . . . . . . . . . . . . . . . . . . 15910 1
68 . 1 . 78 . THR N N 15 . 1 . 78 . THR H H 1 . 1 . 78 . THR N N 15 . . . . . . . . . 4.2502 0.0667 . . . . . . . . . . . . . . . . . . . . 15910 1
69 . 1 . 79 . ILE N N 15 . 1 . 79 . ILE H H 1 . 1 . 79 . ILE N N 15 . . . . . . . . . 4.8114 0.0693 . . . . . . . . . . . . . . . . . . . . 15910 1
70 . 1 . 80 . HIS N N 15 . 1 . 80 . HIS H H 1 . 1 . 80 . HIS N N 15 . . . . . . . . . 5.4276 0.0726 . . . . . . . . . . . . . . . . . . . . 15910 1
71 . 1 . 81 . TYR N N 15 . 1 . 81 . TYR H H 1 . 1 . 81 . TYR N N 15 . . . . . . . . . 5.8071 0.0749 . . . . . . . . . . . . . . . . . . . . 15910 1
72 . 1 . 82 . THR N N 15 . 1 . 82 . THR H H 1 . 1 . 82 . THR N N 15 . . . . . . . . . 6.4402 0.0791 . . . . . . . . . . . . . . . . . . . . 15910 1
73 . 1 . 84 . ARG N N 15 . 1 . 84 . ARG H H 1 . 1 . 84 . ARG N N 15 . . . . . . . . . 7.3890 0.0862 . . . . . . . . . . . . . . . . . . . . 15910 1
74 . 1 . 85 . ALA N N 15 . 1 . 85 . ALA H H 1 . 1 . 85 . ALA N N 15 . . . . . . . . . 7.7239 0.0890 . . . . . . . . . . . . . . . . . . . . 15910 1
75 . 1 . 86 . LYS N N 15 . 1 . 86 . LYS H H 1 . 1 . 86 . LYS N N 15 . . . . . . . . . 6.9386 0.0827 . . . . . . . . . . . . . . . . . . . . 15910 1
76 . 1 . 87 . LYS N N 15 . 1 . 87 . LYS H H 1 . 1 . 87 . LYS N N 15 . . . . . . . . . 7.0586 0.0836 . . . . . . . . . . . . . . . . . . . . 15910 1
77 . 1 . 88 . VAL N N 15 . 1 . 88 . VAL H H 1 . 1 . 88 . VAL N N 15 . . . . . . . . . 7.4096 0.0864 . . . . . . . . . . . . . . . . . . . . 15910 1
78 . 1 . 89 . ILE N N 15 . 1 . 89 . ILE H H 1 . 1 . 89 . ILE N N 15 . . . . . . . . . 7.4482 0.0867 . . . . . . . . . . . . . . . . . . . . 15910 1
79 . 1 . 90 . GLU N N 15 . 1 . 90 . GLU H H 1 . 1 . 90 . GLU N N 15 . . . . . . . . . 7.5279 0.0874 . . . . . . . . . . . . . . . . . . . . 15910 1
80 . 1 . 91 . LEU N N 15 . 1 . 91 . LEU H H 1 . 1 . 91 . LEU N N 15 . . . . . . . . . 7.4105 0.0864 . . . . . . . . . . . . . . . . . . . . 15910 1
81 . 1 . 92 . SER N N 15 . 1 . 92 . SER H H 1 . 1 . 92 . SER N N 15 . . . . . . . . . 7.8428 0.0901 . . . . . . . . . . . . . . . . . . . . 15910 1
82 . 1 . 93 . MET N N 15 . 1 . 93 . MET H H 1 . 1 . 93 . MET N N 15 . . . . . . . . . 7.5774 0.0878 . . . . . . . . . . . . . . . . . . . . 15910 1
83 . 1 . 94 . ASP N N 15 . 1 . 94 . ASP H H 1 . 1 . 94 . ASP N N 15 . . . . . . . . . 7.8372 0.0900 . . . . . . . . . . . . . . . . . . . . 15910 1
84 . 1 . 95 . GLU N N 15 . 1 . 95 . GLU H H 1 . 1 . 95 . GLU N N 15 . . . . . . . . . 7.4012 0.0863 . . . . . . . . . . . . . . . . . . . . 15910 1
85 . 1 . 96 . ALA N N 15 . 1 . 96 . ALA H H 1 . 1 . 96 . ALA N N 15 . . . . . . . . . 7.5164 0.0873 . . . . . . . . . . . . . . . . . . . . 15910 1
86 . 1 . 97 . ARG N N 15 . 1 . 97 . ARG H H 1 . 1 . 97 . ARG N N 15 . . . . . . . . . 7.2825 0.0854 . . . . . . . . . . . . . . . . . . . . 15910 1
87 . 1 . 100 . GLY N N 15 . 1 . 100 . GLY H H 1 . 1 . 100 . GLY N N 15 . . . . . . . . . 6.8451 0.0820 . . . . . . . . . . . . . . . . . . . . 15910 1
88 . 1 . 101 . HIS N N 15 . 1 . 101 . HIS H H 1 . 1 . 101 . HIS N N 15 . . . . . . . . . 6.4199 0.0789 . . . . . . . . . . . . . . . . . . . . 15910 1
89 . 1 . 103 . TYR N N 15 . 1 . 103 . TYR H H 1 . 1 . 103 . TYR N N 15 . . . . . . . . . 6.4607 0.0792 . . . . . . . . . . . . . . . . . . . . 15910 1
90 . 1 . 104 . VAL N N 15 . 1 . 104 . VAL H H 1 . 1 . 104 . VAL N N 15 . . . . . . . . . 6.2770 0.0779 . . . . . . . . . . . . . . . . . . . . 15910 1
91 . 1 . 105 . GLY N N 15 . 1 . 105 . GLY H H 1 . 1 . 105 . GLY N N 15 . . . . . . . . . 5.4945 0.0730 . . . . . . . . . . . . . . . . . . . . 15910 1
92 . 1 . 107 . GLU N N 15 . 1 . 107 . GLU H H 1 . 1 . 107 . GLU N N 15 . . . . . . . . . 6.3514 0.0784 . . . . . . . . . . . . . . . . . . . . 15910 1
93 . 1 . 108 . HIS N N 15 . 1 . 108 . HIS H H 1 . 1 . 108 . HIS N N 15 . . . . . . . . . 7.1337 0.0842 . . . . . . . . . . . . . . . . . . . . 15910 1
94 . 1 . 109 . ILE N N 15 . 1 . 109 . ILE H H 1 . 1 . 109 . ILE N N 15 . . . . . . . . . 7.1369 0.0842 . . . . . . . . . . . . . . . . . . . . 15910 1
95 . 1 . 110 . LEU N N 15 . 1 . 110 . LEU H H 1 . 1 . 110 . LEU N N 15 . . . . . . . . . 7.1724 0.0845 . . . . . . . . . . . . . . . . . . . . 15910 1
96 . 1 . 111 . LEU N N 15 . 1 . 111 . LEU H H 1 . 1 . 111 . LEU N N 15 . . . . . . . . . 7.1123 0.0840 . . . . . . . . . . . . . . . . . . . . 15910 1
97 . 1 . 112 . GLY N N 15 . 1 . 112 . GLY H H 1 . 1 . 112 . GLY N N 15 . . . . . . . . . 6.5222 0.0796 . . . . . . . . . . . . . . . . . . . . 15910 1
98 . 1 . 113 . LEU N N 15 . 1 . 113 . LEU H H 1 . 1 . 113 . LEU N N 15 . . . . . . . . . 7.2971 0.0855 . . . . . . . . . . . . . . . . . . . . 15910 1
99 . 1 . 116 . GLU N N 15 . 1 . 116 . GLU H H 1 . 1 . 116 . GLU N N 15 . . . . . . . . . 7.0704 0.0837 . . . . . . . . . . . . . . . . . . . . 15910 1
100 . 1 . 117 . GLY N N 15 . 1 . 117 . GLY H H 1 . 1 . 117 . GLY N N 15 . . . . . . . . . 5.6881 0.0742 . . . . . . . . . . . . . . . . . . . . 15910 1
101 . 1 . 121 . ALA N N 15 . 1 . 121 . ALA H H 1 . 1 . 121 . ALA N N 15 . . . . . . . . . 7.1702 0.0845 . . . . . . . . . . . . . . . . . . . . 15910 1
102 . 1 . 123 . ARG N N 15 . 1 . 123 . ARG H H 1 . 1 . 123 . ARG N N 15 . . . . . . . . . 6.9946 0.0831 . . . . . . . . . . . . . . . . . . . . 15910 1
103 . 1 . 125 . LEU N N 15 . 1 . 125 . LEU H H 1 . 1 . 125 . LEU N N 15 . . . . . . . . . 7.0827 0.0838 . . . . . . . . . . . . . . . . . . . . 15910 1
104 . 1 . 126 . ASN N N 15 . 1 . 126 . ASN H H 1 . 1 . 126 . ASN N N 15 . . . . . . . . . 7.0274 0.0834 . . . . . . . . . . . . . . . . . . . . 15910 1
105 . 1 . 127 . ASN N N 15 . 1 . 127 . ASN H H 1 . 1 . 127 . ASN N N 15 . . . . . . . . . 6.9003 0.0824 . . . . . . . . . . . . . . . . . . . . 15910 1
106 . 1 . 128 . LEU N N 15 . 1 . 128 . LEU H H 1 . 1 . 128 . LEU N N 15 . . . . . . . . . 6.2444 0.0777 . . . . . . . . . . . . . . . . . . . . 15910 1
107 . 1 . 129 . GLY N N 15 . 1 . 129 . GLY H H 1 . 1 . 129 . GLY N N 15 . . . . . . . . . 6.8625 0.0821 . . . . . . . . . . . . . . . . . . . . 15910 1
108 . 1 . 130 . VAL N N 15 . 1 . 130 . VAL H H 1 . 1 . 130 . VAL N N 15 . . . . . . . . . 7.6530 0.0884 . . . . . . . . . . . . . . . . . . . . 15910 1
109 . 1 . 131 . SER N N 15 . 1 . 131 . SER H H 1 . 1 . 131 . SER N N 15 . . . . . . . . . 5.6418 0.0739 . . . . . . . . . . . . . . . . . . . . 15910 1
110 . 1 . 132 . LEU N N 15 . 1 . 132 . LEU H H 1 . 1 . 132 . LEU N N 15 . . . . . . . . . 6.8904 0.0823 . . . . . . . . . . . . . . . . . . . . 15910 1
111 . 1 . 133 . ASN N N 15 . 1 . 133 . ASN H H 1 . 1 . 133 . ASN N N 15 . . . . . . . . . 6.7825 0.0815 . . . . . . . . . . . . . . . . . . . . 15910 1
112 . 1 . 134 . LYS N N 15 . 1 . 134 . LYS H H 1 . 1 . 134 . LYS N N 15 . . . . . . . . . 6.7936 0.0816 . . . . . . . . . . . . . . . . . . . . 15910 1
113 . 1 . 136 . ARG N N 15 . 1 . 136 . ARG H H 1 . 1 . 136 . ARG N N 15 . . . . . . . . . 6.8558 0.0821 . . . . . . . . . . . . . . . . . . . . 15910 1
114 . 1 . 138 . GLN N N 15 . 1 . 138 . GLN H H 1 . 1 . 138 . GLN N N 15 . . . . . . . . . 7.1703 0.0845 . . . . . . . . . . . . . . . . . . . . 15910 1
115 . 1 . 139 . VAL N N 15 . 1 . 139 . VAL H H 1 . 1 . 139 . VAL N N 15 . . . . . . . . . 7.1980 0.0847 . . . . . . . . . . . . . . . . . . . . 15910 1
116 . 1 . 140 . LEU N N 15 . 1 . 140 . LEU H H 1 . 1 . 140 . LEU N N 15 . . . . . . . . . 6.9537 0.0828 . . . . . . . . . . . . . . . . . . . . 15910 1
117 . 1 . 141 . GLN N N 15 . 1 . 141 . GLN H H 1 . 1 . 141 . GLN N N 15 . . . . . . . . . 7.1640 0.0844 . . . . . . . . . . . . . . . . . . . . 15910 1
118 . 1 . 142 . LEU N N 15 . 1 . 142 . LEU H H 1 . 1 . 142 . LEU N N 15 . . . . . . . . . 6.4343 0.0790 . . . . . . . . . . . . . . . . . . . . 15910 1
119 . 1 . 143 . LEU N N 15 . 1 . 143 . LEU H H 1 . 1 . 143 . LEU N N 15 . . . . . . . . . 5.9802 0.0760 . . . . . . . . . . . . . . . . . . . . 15910 1
120 . 1 . 144 . GLY N N 15 . 1 . 144 . GLY H H 1 . 1 . 144 . GLY N N 15 . . . . . . . . . 4.6632 0.0686 . . . . . . . . . . . . . . . . . . . . 15910 1
121 . 1 . 145 . SER N N 15 . 1 . 145 . SER H H 1 . 1 . 145 . SER N N 15 . . . . . . . . . 2.4690 0.0606 . . . . . . . . . . . . . . . . . . . . 15910 1
122 . 1 . 146 . ASN N N 15 . 1 . 146 . ASN H H 1 . 1 . 146 . ASN N N 15 . . . . . . . . . 0.8606 0.0580 . . . . . . . . . . . . . . . . . . . . 15910 1
stop_
save_
######################
# Order parameters #
######################
save_order_parameter_list_1
_Order_parameter_list.Sf_category order_parameters
_Order_parameter_list.Sf_framecode order_parameter_list_1
_Order_parameter_list.Entry_ID 15910
_Order_parameter_list.ID 1
_Order_parameter_list.Sample_condition_list_ID 1
_Order_parameter_list.Sample_condition_list_label $sample_conditions_1
_Order_parameter_list.Tau_e_val_units ps
_Order_parameter_list.Tau_f_val_units .
_Order_parameter_list.Tau_s_val_units ps
_Order_parameter_list.Rex_field_strength .
_Order_parameter_list.Rex_val_units .
_Order_parameter_list.Details
;
Rex @ 499.8824609 MHz; Rex units = s-1; protocol as described in d'Auvergne,
E.J., and Gooley, P.R. (2008). Optimisation of NMR dynamic models II. A new
methodology for the dual optimisation of the model-free parameters and the
Brownian rotational diffusion tensor. J Biomol NMR 40, 121-133.
;
_Order_parameter_list.Text_data_format .
_Order_parameter_list.Text_data .
loop_
_Order_parameter_experiment.Experiment_ID
_Order_parameter_experiment.Experiment_name
_Order_parameter_experiment.Sample_ID
_Order_parameter_experiment.Sample_label
_Order_parameter_experiment.Sample_state
_Order_parameter_experiment.Entry_ID
_Order_parameter_experiment.Order_parameter_list_ID
7 '2D 1H-15N HSQC' . . . 15910 1
stop_
loop_
_Order_parameter_software.Software_ID
_Order_parameter_software.Software_label
_Order_parameter_software.Method_ID
_Order_parameter_software.Method_label
_Order_parameter_software.Entry_ID
_Order_parameter_software.Order_parameter_list_ID
3 $relax . . 15910 1
stop_
loop_
_Order_param.ID
_Order_param.Assembly_atom_ID
_Order_param.Entity_assembly_ID
_Order_param.Entity_ID
_Order_param.Comp_index_ID
_Order_param.Seq_ID
_Order_param.Comp_ID
_Order_param.Atom_ID
_Order_param.Atom_type
_Order_param.Atom_isotope_number
_Order_param.Order_param_val
_Order_param.Order_param_val_fit_err
_Order_param.Tau_e_val
_Order_param.Tau_e_val_fit_err
_Order_param.Tau_f_val
_Order_param.Tau_f_val_fit_err
_Order_param.Tau_s_val
_Order_param.Tau_s_val_fit_err
_Order_param.Rex_val
_Order_param.Rex_val_fit_err
_Order_param.Model_free_sum_squared_errs
_Order_param.Model_fit
_Order_param.Sf2_val
_Order_param.Sf2_val_fit_err
_Order_param.Ss2_val
_Order_param.Ss2_val_fit_err
_Order_param.SH2_val
_Order_param.SH2_val_fit_err
_Order_param.SN2_val
_Order_param.SN2_val_fit_err
_Order_param.Resonance_ID
_Order_param.Auth_entity_assembly_ID
_Order_param.Auth_seq_ID
_Order_param.Auth_comp_ID
_Order_param.Auth_atom_ID
_Order_param.Entry_ID
_Order_param.Order_parameter_list_ID
1 . 1 . 3 . MET N N 15 0.218 0.016 . . . . 925.50 33.63 . . 0.21006132324 5 0.762 0.013 0.286 0.021 . . . . . . . . . 15910 1
2 . 1 . 5 . GLY N N 15 0.453 0.010 . . . . 1367.45 66.47 . . 0.736795270335 5 0.779 0.008 0.582 0.015 . . . . . . . . . 15910 1
3 . 1 . 6 . ARG N N 15 0.556 0.028 . . 54.61 9.80 8222.98 2489.86 . . 19.4042145145 6 0.752 0.017 0.740 0.029 . . . . . . . . . 15910 1
4 . 1 . 7 . PHE N N 15 0.739 0.011 22.80 5.12 . . . . 0.606 0.150 0.143295702636 4 . . . . . . . . . . . . . 15910 1
5 . 1 . 8 . THR N N 15 0.808 0.011 . . . . . . 1.099 0.170 0.752049315999 3 . . . . . . . . . . . . . 15910 1
6 . 1 . 9 . GLU N N 15 0.879 0.007 . . . . . . . . 6.04831061801 1 . . . . . . . . . . . . . 15910 1
7 . 1 . 10 . ARG N N 15 0.869 0.013 . . . . . . 0.501 0.200 2.4727048201 3 . . . . . . . . . . . . . 15910 1
8 . 1 . 11 . ALA N N 15 0.863 0.011 . . . . . . 0.497 0.185 1.42801054858 3 . . . . . . . . . . . . . 15910 1
9 . 1 . 12 . GLN N N 15 0.848 0.014 . . . . . . 0.603 0.194 0.790471167926 3 . . . . . . . . . . . . . 15910 1
10 . 1 . 13 . LYS N N 15 0.894 0.017 . . . . . . . . 1.81183191055 1 . . . . . . . . . . . . . 15910 1
11 . 1 . 14 . VAL N N 15 0.858 0.012 . . . . . . 0.317 0.129 0.458897152312 3 . . . . . . . . . . . . . 15910 1
12 . 1 . 15 . LEU N N 15 0.887 0.014 . . . . . . 0.292 0.191 1.58765985768 3 . . . . . . . . . . . . . 15910 1
13 . 1 . 16 . ALA N N 15 0.878 0.008 . . . . . . . . 1.82636062562 1 . . . . . . . . . . . . . 15910 1
14 . 1 . 17 . LEU N N 15 0.875 0.009 . . . . . . . . 1.35721078907 1 . . . . . . . . . . . . . 15910 1
15 . 1 . 18 . ALA N N 15 0.879 0.005 . . . . . . . . 3.10889725521 1 . . . . . . . . . . . . . 15910 1
16 . 1 . 19 . GLN N N 15 0.826 0.009 . . . . . . 0.912 0.125 0.570265181057 3 . . . . . . . . . . . . . 15910 1
17 . 1 . 20 . GLU N N 15 0.876 0.009 . . . . . . . . 4.3521826647 1 . . . . . . . . . . . . . 15910 1
18 . 1 . 21 . GLU N N 15 0.868 0.012 . . . . . . 0.267 0.137 0.293647839657 3 . . . . . . . . . . . . . 15910 1
19 . 1 . 22 . ALA N N 15 0.848 0.008 . . . . . . 0.657 0.126 0.610002896386 3 . . . . . . . . . . . . . 15910 1
20 . 1 . 23 . LEU N N 15 0.840 0.011 . . . . . . 0.817 0.135 1.80102460122 3 . . . . . . . . . . . . . 15910 1
21 . 1 . 24 . ARG N N 15 0.872 0.009 . . . . . . 0.259 0.143 4.3614950769 3 . . . . . . . . . . . . . 15910 1
22 . 1 . 25 . LEU N N 15 0.851 0.011 . . . . . . 1.113 0.182 2.39455073727 3 . . . . . . . . . . . . . 15910 1
23 . 1 . 26 . GLY N N 15 0.823 0.010 . . . . . . 0.588 0.144 3.62944562002 3 . . . . . . . . . . . . . 15910 1
24 . 1 . 27 . HIS N N 15 0.844 0.010 . . . . . . 0.403 0.110 0.630790843612 3 . . . . . . . . . . . . . 15910 1
25 . 1 . 28 . ASN N N 15 0.826 0.014 24.99 12.31 . . . . . . 3.98710634444 2 . . . . . . . . . . . . . 15910 1
26 . 1 . 29 . ASN N N 15 0.577 0.168 . . . . 2553.48 2011.96 2.483 0.682 0.704106942098 7 0.730 0.073 0.789 0.196 . . . . . . . . . 15910 1
27 . 1 . 30 . ILE N N 15 0.782 0.013 . . . . . . 1.583 0.212 1.2982258864 3 . . . . . . . . . . . . . 15910 1
28 . 1 . 31 . GLY N N 15 0.803 0.019 . . . . . . 0.908 0.278 0.545176128344 3 . . . . . . . . . . . . . 15910 1
29 . 1 . 33 . GLU N N 15 0.832 0.012 . . . . . . 0.917 0.172 1.75797180016 3 . . . . . . . . . . . . . 15910 1
30 . 1 . 34 . HIS N N 15 0.863 0.014 . . . . . . 0.920 0.203 1.35451472014 3 . . . . . . . . . . . . . 15910 1
31 . 1 . 36 . LEU N N 15 0.848 0.013 . . . . . . 0.712 0.164 0.866664775526 3 . . . . . . . . . . . . . 15910 1
32 . 1 . 37 . LEU N N 15 0.840 0.011 . . . . . . 0.811 0.173 0.648293603529 3 . . . . . . . . . . . . . 15910 1
33 . 1 . 38 . GLY N N 15 0.850 0.010 . . . . . . 0.855 0.163 0.336635554321 3 . . . . . . . . . . . . . 15910 1
34 . 1 . 39 . LEU N N 15 0.844 0.010 . . . . . . 0.846 0.123 0.861650546253 3 . . . . . . . . . . . . . 15910 1
35 . 1 . 40 . VAL N N 15 0.836 0.012 . . . . . . 2.722 0.175 1.44311769773 3 . . . . . . . . . . . . . 15910 1
36 . 1 . 41 . ARG N N 15 0.830 0.006 . . . . . . . . 33.6491464713 1 . . . . . . . . . . . . . 15910 1
37 . 1 . 42 . GLU N N 15 0.827 0.010 . . . . . . 0.556 0.144 0.0521893621346 3 . . . . . . . . . . . . . 15910 1
38 . 1 . 43 . GLY N N 15 0.793 0.020 . . . . . . 5.401 0.247 2.02150558226 3 . . . . . . . . . . . . . 15910 1
39 . 1 . 45 . GLY N N 15 0.853 0.025 . . . . . . 0.782 0.390 1.22024337452 3 . . . . . . . . . . . . . 15910 1
40 . 1 . 46 . ILE N N 15 0.843 0.018 . . . . . . 1.223 0.219 1.30104492763 3 . . . . . . . . . . . . . 15910 1
41 . 1 . 47 . ALA N N 15 0.854 0.012 . . . . . . 0.974 0.173 2.24869790831 3 . . . . . . . . . . . . . 15910 1
42 . 1 . 48 . ALA N N 15 0.782 0.009 . . . . . . 0.998 0.105 0.562180528678 3 . . . . . . . . . . . . . 15910 1
43 . 1 . 50 . ALA N N 15 0.833 0.010 . . . . . . 0.816 0.142 1.65159192253 3 . . . . . . . . . . . . . 15910 1
44 . 1 . 53 . ALA N N 15 0.805 0.011 13.45 6.85 . . . . 1.039 0.113 0.413516060291 4 . . . . . . . . . . . . . 15910 1
45 . 1 . 54 . LEU N N 15 0.768 0.013 10.06 6.12 . . . . 0.952 0.140 0.735240123443 4 . . . . . . . . . . . . . 15910 1
46 . 1 . 55 . GLY N N 15 0.815 0.010 . . . . . . 0.608 0.146 2.78501571128 3 . . . . . . . . . . . . . 15910 1
47 . 1 . 57 . GLY N N 15 0.523 0.007 32.28 1.74 . . . . 1.066 0.082 0.380098631611 4 . . . . . . . . . . . . . 15910 1
48 . 1 . 58 . SER N N 15 0.804 0.009 19.67 7.16 . . . . 0.344 0.096 1.20312808243 4 . . . . . . . . . . . . . 15910 1
49 . 1 . 59 . GLU N N 15 0.823 0.009 . . . . . . 0.455 0.089 0.742601283894 3 . . . . . . . . . . . . . 15910 1
50 . 1 . 60 . LYS N N 15 0.821 0.009 . . . . . . . . 2.87994781951 1 . . . . . . . . . . . . . 15910 1
51 . 1 . 61 . ILE N N 15 0.834 0.011 . . . . . . 0.404 0.122 1.93304366376 3 . . . . . . . . . . . . . 15910 1
52 . 1 . 62 . GLN N N 15 0.855 0.011 . . . . . . 0.679 0.125 2.49978520461 3 . . . . . . . . . . . . . 15910 1
53 . 1 . 64 . GLU N N 15 0.871 0.010 . . . . . . . . 3.81039114885 1 . . . . . . . . . . . . . 15910 1
54 . 1 . 65 . VAL N N 15 0.842 0.010 . . . . . . 0.476 0.150 0.64618870203 3 . . . . . . . . . . . . . 15910 1
55 . 1 . 66 . GLU N N 15 0.845 0.011 . . . . . . 0.899 0.136 0.271807646499 3 . . . . . . . . . . . . . 15910 1
56 . 1 . 67 . SER N N 15 0.828 0.009 18.21 6.33 . . . . 0.443 0.105 1.74505558543 4 . . . . . . . . . . . . . 15910 1
57 . 1 . 68 . LEU N N 15 0.818 0.011 . . . . . . 0.493 0.139 1.9183122453 3 . . . . . . . . . . . . . 15910 1
58 . 1 . 69 . ILE N N 15 0.768 0.012 24.35 9.48 . . . . 2.623 0.174 1.72712414624 4 . . . . . . . . . . . . . 15910 1
59 . 1 . 70 . GLY N N 15 0.698 0.015 . . . . 1137.56 184.49 . . 2.14748566869 5 0.799 0.007 0.874 0.019 . . . . . . . . . 15910 1
60 . 1 . 71 . ARG N N 15 0.469 0.103 . . 31.59 9.24 6335.33 2296.42 1.189 0.478 0.236689359361 8 0.630 0.038 0.744 0.123 . . . . . . . . . 15910 1
61 . 1 . 72 . GLY N N 15 0.644 0.015 . . . . 624.91 102.95 . . 2.73745650937 5 0.791 0.008 0.814 0.015 . . . . . . . . . 15910 1
62 . 1 . 73 . GLN N N 15 0.415 0.013 . . 26.45 13.60 2203.72 588.46 . . 1.4500640221 6 0.676 0.032 0.614 0.021 . . . . . . . . . 15910 1
63 . 1 . 75 . MET N N 15 0.338 0.012 . . 29.98 11.92 1742.14 209.39 . . 1.28023250629 6 0.702 0.024 0.481 0.019 . . . . . . . . . 15910 1
64 . 1 . 76 . SER N N 15 0.234 0.124 . . 52.18 4.11 4730.12 1806.42 0.705 0.397 0.255313939273 8 0.558 0.041 0.420 0.196 . . . . . . . . . 15910 1
65 . 1 . 78 . THR N N 15 0.591 0.023 . . 47.98 10.66 3821.93 2436.56 . . 7.62419353282 6 0.674 0.024 0.876 0.026 . . . . . . . . . 15910 1
66 . 1 . 79 . ILE N N 15 0.543 0.079 . . . . 1447.04 455.41 1.104 0.420 1.02348722716 7 0.756 0.023 0.719 0.086 . . . . . . . . . 15910 1
67 . 1 . 80 . HIS N N 15 0.616 0.136 . . . . 2118.46 1385.90 0.936 0.684 0.0394974498942 7 0.771 0.064 0.800 0.136 . . . . . . . . . 15910 1
68 . 1 . 81 . TYR N N 15 0.778 0.015 . . . . . . 0.806 0.175 0.407976062939 3 . . . . . . . . . . . . . 15910 1
69 . 1 . 82 . THR N N 15 0.814 0.015 . . . . . . 1.388 0.200 1.16565402553 3 . . . . . . . . . . . . . 15910 1
70 . 1 . 84 . ARG N N 15 0.862 0.025 . . . . . . 1.092 0.374 0.589990825191 3 . . . . . . . . . . . . . 15910 1
71 . 1 . 85 . ALA N N 15 0.883 0.011 . . . . . . . . 1.18177521269 1 . . . . . . . . . . . . . 15910 1
72 . 1 . 86 . LYS N N 15 0.335 0.227 . . . . 6244.59 2226.06 2.247 1.228 0.365272326683 7 0.704 0.066 0.476 0.282 . . . . . . . . . 15910 1
73 . 1 . 87 . LYS N N 15 0.885 0.018 . . . . . . . . 1.85409180997 1 . . . . . . . . . . . . . 15910 1
74 . 1 . 88 . VAL N N 15 0.866 0.010 . . . . . . 0.483 0.133 0.367090836746 3 . . . . . . . . . . . . . 15910 1
75 . 1 . 89 . ILE N N 15 0.891 0.009 . . . . . . . . 4.15685496141 1 . . . . . . . . . . . . . 15910 1
76 . 1 . 90 . GLU N N 15 0.891 0.007 . . . . . . . . 3.1537095355 1 . . . . . . . . . . . . . 15910 1
77 . 1 . 91 . LEU N N 15 0.884 0.013 . . . . . . . . 1.1940441755 1 . . . . . . . . . . . . . 15910 1
78 . 1 . 92 . SER N N 15 0.881 0.015 24.67 13.66 . . . . 0.236 0.154 1.24904646582 4 . . . . . . . . . . . . . 15910 1
79 . 1 . 93 . MET N N 15 0.882 0.009 . . . . . . . . 0.899198726692 1 . . . . . . . . . . . . . 15910 1
80 . 1 . 94 . ASP N N 15 0.848 0.010 . . . . . . 0.368 0.136 1.50974220868 3 . . . . . . . . . . . . . 15910 1
81 . 1 . 95 . GLU N N 15 0.831 0.013 . . . . . . 0.534 0.193 2.12570171025 3 . . . . . . . . . . . . . 15910 1
82 . 1 . 96 . ALA N N 15 0.872 0.008 . . . . . . . . 1.53729172119 1 . . . . . . . . . . . . . 15910 1
83 . 1 . 97 . ARG N N 15 0.849 0.012 . . . . . . 0.390 0.135 0.788888800009 3 . . . . . . . . . . . . . 15910 1
84 . 1 . 100 . GLY N N 15 0.817 0.012 . . . . . . 0.621 0.178 1.65774194849 3 . . . . . . . . . . . . . 15910 1
85 . 1 . 101 . HIS N N 15 0.781 0.011 15.80 6.15 . . . . 0.920 0.111 1.01911341395 4 . . . . . . . . . . . . . 15910 1
86 . 1 . 102 . SER N N 15 0.743 0.044 . . . . . . 0.806 0.516 0.269914414419 3 . . . . . . . . . . . . . 15910 1
87 . 1 . 103 . TYR N N 15 0.640 0.076 . . . . 2423.54 767.23 0.732 0.456 0.157530605432 7 0.756 0.027 0.847 0.077 . . . . . . . . . 15910 1
88 . 1 . 104 . VAL N N 15 0.800 0.017 18.48 12.66 . . . . 0.923 0.176 0.467060500019 4 . . . . . . . . . . . . . 15910 1
89 . 1 . 105 . GLY N N 15 0.808 0.024 . . . . . . 0.635 0.259 0.813664742386 3 . . . . . . . . . . . . . 15910 1
90 . 1 . 107 . GLU N N 15 0.815 0.013 . . . . . . 1.041 0.223 2.0156458054 3 . . . . . . . . . . . . . 15910 1
91 . 1 . 108 . HIS N N 15 0.876 0.015 . . . . . . 0.521 0.197 0.930395827158 3 . . . . . . . . . . . . . 15910 1
92 . 1 . 109 . ILE N N 15 0.841 0.014 . . . . . . 0.717 0.170 0.342189215722 3 . . . . . . . . . . . . . 15910 1
93 . 1 . 110 . LEU N N 15 0.859 0.012 . . . . . . 0.607 0.124 0.578860645336 3 . . . . . . . . . . . . . 15910 1
94 . 1 . 111 . LEU N N 15 0.845 0.020 . . . . . . 1.449 0.278 0.528773812375 3 . . . . . . . . . . . . . 15910 1
95 . 1 . 112 . GLY N N 15 0.860 0.011 . . . . . . 0.868 0.138 1.28008896227 3 . . . . . . . . . . . . . 15910 1
96 . 1 . 113 . LEU N N 15 0.860 0.017 . . . . . . 1.153 0.188 0.957099121197 3 . . . . . . . . . . . . . 15910 1
97 . 1 . 116 . GLU N N 15 0.872 0.015 . . . . . . 0.527 0.164 4.73348743589 3 . . . . . . . . . . . . . 15910 1
98 . 1 . 117 . GLY N N 15 0.830 0.011 . . . . . . 1.295 0.108 2.15540183053 3 . . . . . . . . . . . . . 15910 1
99 . 1 . 119 . GLY N N 15 0.870 0.050 . . . . . . 1.544 0.742 0.122200311765 3 . . . . . . . . . . . . . 15910 1
100 . 1 . 120 . VAL N N 15 0.830 0.023 . . . . . . 2.080 0.312 0.855161672299 3 . . . . . . . . . . . . . 15910 1
101 . 1 . 121 . ALA N N 15 0.837 0.013 . . . . . . 1.421 0.175 1.70719467941 3 . . . . . . . . . . . . . 15910 1
102 . 1 . 123 . ARG N N 15 0.828 0.011 . . . . . . 1.148 0.111 1.38321445075 3 . . . . . . . . . . . . . 15910 1
103 . 1 . 126 . ASN N N 15 0.831 0.010 . . . . . . 1.054 0.103 0.56802833868 3 . . . . . . . . . . . . . 15910 1
104 . 1 . 127 . ASN N N 15 0.813 0.010 . . . . . . 1.133 0.136 2.57672812627 3 . . . . . . . . . . . . . 15910 1
105 . 1 . 128 . LEU N N 15 0.791 0.013 . . . . . . 0.988 0.146 1.18906042502 3 . . . . . . . . . . . . . 15910 1
106 . 1 . 130 . VAL N N 15 0.814 0.009 . . . . . . 0.391 0.128 0.855482530426 3 . . . . . . . . . . . . . 15910 1
107 . 1 . 131 . SER N N 15 0.487 0.149 . . . . 2963.99 1765.98 1.906 0.801 0.377433641036 7 0.654 0.084 0.745 0.184 . . . . . . . . . 15910 1
108 . 1 . 132 . LEU N N 15 0.868 0.009 . . . . . . . . 1.91407618683 1 . . . . . . . . . . . . . 15910 1
109 . 1 . 133 . ASN N N 15 0.830 0.011 . . . . . . 0.930 0.120 1.60139213044 3 . . . . . . . . . . . . . 15910 1
110 . 1 . 134 . LYS N N 15 0.864 0.013 . . . . . . . . 2.24310043113 1 . . . . . . . . . . . . . 15910 1
111 . 1 . 136 . ARG N N 15 0.848 0.011 . . . . . . 0.525 0.141 1.90992751203 3 . . . . . . . . . . . . . 15910 1
112 . 1 . 138 . GLN N N 15 0.861 0.012 . . . . . . 0.478 0.130 0.739631632983 3 . . . . . . . . . . . . . 15910 1
113 . 1 . 139 . VAL N N 15 0.840 0.010 21.23 11.35 . . . . 0.700 0.153 1.12954738611 4 . . . . . . . . . . . . . 15910 1
114 . 1 . 140 . LEU N N 15 0.838 0.013 . . . . . . 1.003 0.155 1.79273842826 3 . . . . . . . . . . . . . 15910 1
115 . 1 . 142 . LEU N N 15 0.810 0.014 13.64 6.81 . . . . 0.538 0.149 1.28081826269 4 . . . . . . . . . . . . . 15910 1
116 . 1 . 143 . LEU N N 15 0.751 0.011 27.27 5.72 . . . . 0.683 0.125 0.516577896921 4 . . . . . . . . . . . . . 15910 1
117 . 1 . 145 . SER N N 15 0.103 0.026 . . 63.16 1.74 6366.45 941.85 . . 13.8074749186 6 0.483 0.006 0.213 0.053 . . . . . . . . . 15910 1
118 . 1 . 146 . ASN N N 15 0.037 0.006 . . 63.79 1.71 1532.60 97.50 . . 1.20888805989 6 0.282 0.011 0.130 0.018 . . . . . . . . . 15910 1
stop_
save_