data_5517
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 5517
_Entry.Title
;
NMR studies of the DNA-binding domain of B-Myb
;
_Entry.Type .
_Entry.Version_type original
_Entry.Submission_date 2002-09-11
_Entry.Accession_date 2002-09-11
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 2.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_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 Gareth Jones . . . 5517
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 5517
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 625 5517
'13C chemical shifts' 289 5517
'15N chemical shifts' 101 5517
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 . . 2010-07-14 2002-09-10 update BMRB 'update DNA residue label to two-letter code' 5517
1 . . 2003-06-12 2002-09-10 original author 'original release' 5517
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 5517
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code 22699289
_Citation.DOI .
_Citation.PubMed_ID 12815265
_Citation.Full_citation .
_Citation.Title
;
Sequence-specific Assignment of the B-Myb DNA-binding Domain (B-MybR2R3) bound
to a 16 Base-pair DNA Target Site Corresponding to a Regulatory Site from the
tom-1 Gene
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Biomol. NMR'
_Citation.Journal_name_full .
_Citation.Journal_volume 26
_Citation.Journal_issue 4
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 375
_Citation.Page_last 376
_Citation.Year 2003
_Citation.Details
;
NMR studies of the minimal DNA-binding domain of chicken B-Myb (B-MybR2R3) when
bound to a double stranded 16-mer DNA target containing the 6 base-pair
sequence required for DNA binding by Myb proteins, 5'-AACGGA-3'"
;
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 Gareth Jones . J. . 5517 1
2 Mark Howard . . . 5517 1
3 Pauline McIntosh . . . 5517 1
4 Richard Williamson . A. . 5517 1
5 Mark Carr . D. . 5517 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
DNA-binding 5517 1
NMR 5517 1
stop_
save_
save_ref_1
_Citation.Sf_category citations
_Citation.Sf_framecode ref_1
_Citation.Entry_ID 5517
_Citation.ID 2
_Citation.Class 'reference citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation
;
Bartels, C., Xia, T., Billeter, M., Guntert, P. and Wuthrich K. (1995)
J. Biol. NMR 6, 1-10.
The program XEASY for computer-supported NMR spectral analysis of biological
macromolecules.
;
_Citation.Title .
_Citation.Status .
_Citation.Type .
_Citation.Journal_abbrev .
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_B_MybR2R3
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_B_MybR2R3
_Assembly.Entry_ID 5517
_Assembly.ID 1
_Assembly.Name B-MybR2R3
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_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 'all free'
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Assembly_type.Type
_Assembly_type.Entry_ID
_Assembly_type.Assembly_ID
complex 5517 1
stop_
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 'B-MybR2R3 unit 1' 1 $B_MybR2R3 . . . native . . . . . 5517 1
2 'tom1a 16mer' 2 $tom1a_1 . . . native . . . . . 5517 1
3 'tom1a 16mer' 3 $tom1a_2 . . . native . . . . . 5517 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
. PDB 1A5J . . . . .
;
Here the B-MybR2R3 protein is bound to a 16 mer DNA duplex of:
5'-TCCTTAACGGACTGAG-3'
3'-AGGAATTGCCTGACTC-5'
; 5517 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
B-MybR2R3 system 5517 1
B-MybR2R3 abbreviation 5517 1
stop_
loop_
_Assembly_bio_function.Biological_function
_Assembly_bio_function.Entry_ID
_Assembly_bio_function.Assembly_ID
'Transcription regulatory protein' 5517 1
'involved in cell-cycle regulation' 5517 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_B_MybR2R3
_Entity.Sf_category entity
_Entity.Sf_framecode B_MybR2R3
_Entity.Entry_ID 5517
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name B-MybR2R3-tom1a
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GIPDLVKGPWTKEEDQKVIE
LVKKYGTKQWTLIAKHLKGR
LGKQCRERWHNHLNPEVKKS
SWTEEEDRIIFEAHKVLGNR
WAEIAKLLPGRTDNAVKNHW
NSTIKRKVDT
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 110
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'all free'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 13095
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-01-28
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 4114 . B-MYB . . . . . 100.00 110 100.00 100.00 1.97e-72 . . . . 5517 1
2 no PDB 1A5J . "Chicken B-Myb Dna Binding Domain, Repeat 2 And Repeat3, Nmr, 32 Structures" . . . . . 99.09 110 100.00 100.00 1.58e-71 . . . . 5517 1
3 no DBJ BAC25979 . "unnamed protein product [Mus musculus]" . . . . . 98.18 704 97.22 98.15 4.15e-66 . . . . 5517 1
4 no DBJ BAG37322 . "unnamed protein product [Homo sapiens]" . . . . . 98.18 700 97.22 98.15 5.37e-66 . . . . 5517 1
5 no DBJ BAH13925 . "unnamed protein product [Homo sapiens]" . . . . . 98.18 676 97.22 98.15 2.73e-66 . . . . 5517 1
6 no DBJ BAI46683 . "v-myb myeloblastosis viral oncogene homolog (avian)-like 2 [synthetic construct]" . . . . . 98.18 700 97.22 98.15 5.37e-66 . . . . 5517 1
7 no EMBL CAA31655 . "unnamed protein product [Homo sapiens]" . . . . . 98.18 700 97.22 98.15 5.37e-66 . . . . 5517 1
8 no EMBL CAA47839 . "B-myb [Gallus gallus]" . . . . . 98.18 686 100.00 100.00 3.09e-68 . . . . 5517 1
9 no EMBL CAA49898 . "B-myb [Mus musculus]" . . . . . 98.18 704 97.22 98.15 4.15e-66 . . . . 5517 1
10 no GB AAH07585 . "V-myb myeloblastosis viral oncogene homolog (avian)-like 2 [Homo sapiens]" . . . . . 98.18 700 97.22 98.15 5.37e-66 . . . . 5517 1
11 no GB AAH50842 . "Myeloblastosis oncogene-like 2 [Mus musculus]" . . . . . 98.18 704 97.22 98.15 4.15e-66 . . . . 5517 1
12 no GB AAH53555 . "V-myb myeloblastosis viral oncogene homolog (avian)-like 2 [Homo sapiens]" . . . . . 98.18 700 97.22 98.15 5.37e-66 . . . . 5517 1
13 no GB AAI18124 . "V-myb myeloblastosis viral oncogene homolog (avian)-like 2 [Bos taurus]" . . . . . 98.18 695 97.22 98.15 3.43e-66 . . . . 5517 1
14 no GB AAP36828 . "Homo sapiens v-myb myeloblastosis viral oncogene homolog (avian)-like 2 [synthetic construct]" . . . . . 98.18 701 97.22 98.15 5.44e-66 . . . . 5517 1
15 no REF NP_001068916 . "myb-related protein B [Bos taurus]" . . . . . 98.18 695 97.22 98.15 3.43e-66 . . . . 5517 1
16 no REF NP_001100006 . "myb-related protein B [Rattus norvegicus]" . . . . . 98.18 704 97.22 98.15 4.42e-66 . . . . 5517 1
17 no REF NP_001231398 . "myb-related protein B [Sus scrofa]" . . . . . 98.18 697 97.22 98.15 2.41e-66 . . . . 5517 1
18 no REF NP_001252784 . "myb-related protein B [Macaca mulatta]" . . . . . 98.18 700 97.22 98.15 3.74e-66 . . . . 5517 1
19 no REF NP_001265539 . "myb-related protein B isoform 2 [Homo sapiens]" . . . . . 98.18 676 97.22 98.15 2.73e-66 . . . . 5517 1
20 no SP P10244 . "RecName: Full=Myb-related protein B; Short=B-Myb; AltName: Full=Myb-like protein 2 [Homo sapiens]" . . . . . 98.18 700 97.22 98.15 5.37e-66 . . . . 5517 1
21 no SP P48972 . "RecName: Full=Myb-related protein B; Short=B-Myb; AltName: Full=Myb-like protein 2 [Mus musculus]" . . . . . 98.18 704 97.22 98.15 4.15e-66 . . . . 5517 1
22 no SP Q03237 . "RecName: Full=Myb-related protein B; Short=B-Myb; AltName: Full=Myb-like protein 2 [Gallus gallus]" . . . . . 98.18 686 100.00 100.00 3.09e-68 . . . . 5517 1
23 no TPG DAA23198 . "TPA: v-myb myeloblastosis viral oncogene homolog-like 2 [Bos taurus]" . . . . . 98.18 695 97.22 98.15 3.43e-66 . . . . 5517 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
B-MybR2R3-tom1a common 5517 1
B-MybR2R3-tom1a abbreviation 5517 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 . GLY . 5517 1
2 . ILE . 5517 1
3 . PRO . 5517 1
4 . ASP . 5517 1
5 . LEU . 5517 1
6 . VAL . 5517 1
7 . LYS . 5517 1
8 . GLY . 5517 1
9 . PRO . 5517 1
10 . TRP . 5517 1
11 . THR . 5517 1
12 . LYS . 5517 1
13 . GLU . 5517 1
14 . GLU . 5517 1
15 . ASP . 5517 1
16 . GLN . 5517 1
17 . LYS . 5517 1
18 . VAL . 5517 1
19 . ILE . 5517 1
20 . GLU . 5517 1
21 . LEU . 5517 1
22 . VAL . 5517 1
23 . LYS . 5517 1
24 . LYS . 5517 1
25 . TYR . 5517 1
26 . GLY . 5517 1
27 . THR . 5517 1
28 . LYS . 5517 1
29 . GLN . 5517 1
30 . TRP . 5517 1
31 . THR . 5517 1
32 . LEU . 5517 1
33 . ILE . 5517 1
34 . ALA . 5517 1
35 . LYS . 5517 1
36 . HIS . 5517 1
37 . LEU . 5517 1
38 . LYS . 5517 1
39 . GLY . 5517 1
40 . ARG . 5517 1
41 . LEU . 5517 1
42 . GLY . 5517 1
43 . LYS . 5517 1
44 . GLN . 5517 1
45 . CYS . 5517 1
46 . ARG . 5517 1
47 . GLU . 5517 1
48 . ARG . 5517 1
49 . TRP . 5517 1
50 . HIS . 5517 1
51 . ASN . 5517 1
52 . HIS . 5517 1
53 . LEU . 5517 1
54 . ASN . 5517 1
55 . PRO . 5517 1
56 . GLU . 5517 1
57 . VAL . 5517 1
58 . LYS . 5517 1
59 . LYS . 5517 1
60 . SER . 5517 1
61 . SER . 5517 1
62 . TRP . 5517 1
63 . THR . 5517 1
64 . GLU . 5517 1
65 . GLU . 5517 1
66 . GLU . 5517 1
67 . ASP . 5517 1
68 . ARG . 5517 1
69 . ILE . 5517 1
70 . ILE . 5517 1
71 . PHE . 5517 1
72 . GLU . 5517 1
73 . ALA . 5517 1
74 . HIS . 5517 1
75 . LYS . 5517 1
76 . VAL . 5517 1
77 . LEU . 5517 1
78 . GLY . 5517 1
79 . ASN . 5517 1
80 . ARG . 5517 1
81 . TRP . 5517 1
82 . ALA . 5517 1
83 . GLU . 5517 1
84 . ILE . 5517 1
85 . ALA . 5517 1
86 . LYS . 5517 1
87 . LEU . 5517 1
88 . LEU . 5517 1
89 . PRO . 5517 1
90 . GLY . 5517 1
91 . ARG . 5517 1
92 . THR . 5517 1
93 . ASP . 5517 1
94 . ASN . 5517 1
95 . ALA . 5517 1
96 . VAL . 5517 1
97 . LYS . 5517 1
98 . ASN . 5517 1
99 . HIS . 5517 1
100 . TRP . 5517 1
101 . ASN . 5517 1
102 . SER . 5517 1
103 . THR . 5517 1
104 . ILE . 5517 1
105 . LYS . 5517 1
106 . ARG . 5517 1
107 . LYS . 5517 1
108 . VAL . 5517 1
109 . ASP . 5517 1
110 . THR . 5517 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 5517 1
. ILE 2 2 5517 1
. PRO 3 3 5517 1
. ASP 4 4 5517 1
. LEU 5 5 5517 1
. VAL 6 6 5517 1
. LYS 7 7 5517 1
. GLY 8 8 5517 1
. PRO 9 9 5517 1
. TRP 10 10 5517 1
. THR 11 11 5517 1
. LYS 12 12 5517 1
. GLU 13 13 5517 1
. GLU 14 14 5517 1
. ASP 15 15 5517 1
. GLN 16 16 5517 1
. LYS 17 17 5517 1
. VAL 18 18 5517 1
. ILE 19 19 5517 1
. GLU 20 20 5517 1
. LEU 21 21 5517 1
. VAL 22 22 5517 1
. LYS 23 23 5517 1
. LYS 24 24 5517 1
. TYR 25 25 5517 1
. GLY 26 26 5517 1
. THR 27 27 5517 1
. LYS 28 28 5517 1
. GLN 29 29 5517 1
. TRP 30 30 5517 1
. THR 31 31 5517 1
. LEU 32 32 5517 1
. ILE 33 33 5517 1
. ALA 34 34 5517 1
. LYS 35 35 5517 1
. HIS 36 36 5517 1
. LEU 37 37 5517 1
. LYS 38 38 5517 1
. GLY 39 39 5517 1
. ARG 40 40 5517 1
. LEU 41 41 5517 1
. GLY 42 42 5517 1
. LYS 43 43 5517 1
. GLN 44 44 5517 1
. CYS 45 45 5517 1
. ARG 46 46 5517 1
. GLU 47 47 5517 1
. ARG 48 48 5517 1
. TRP 49 49 5517 1
. HIS 50 50 5517 1
. ASN 51 51 5517 1
. HIS 52 52 5517 1
. LEU 53 53 5517 1
. ASN 54 54 5517 1
. PRO 55 55 5517 1
. GLU 56 56 5517 1
. VAL 57 57 5517 1
. LYS 58 58 5517 1
. LYS 59 59 5517 1
. SER 60 60 5517 1
. SER 61 61 5517 1
. TRP 62 62 5517 1
. THR 63 63 5517 1
. GLU 64 64 5517 1
. GLU 65 65 5517 1
. GLU 66 66 5517 1
. ASP 67 67 5517 1
. ARG 68 68 5517 1
. ILE 69 69 5517 1
. ILE 70 70 5517 1
. PHE 71 71 5517 1
. GLU 72 72 5517 1
. ALA 73 73 5517 1
. HIS 74 74 5517 1
. LYS 75 75 5517 1
. VAL 76 76 5517 1
. LEU 77 77 5517 1
. GLY 78 78 5517 1
. ASN 79 79 5517 1
. ARG 80 80 5517 1
. TRP 81 81 5517 1
. ALA 82 82 5517 1
. GLU 83 83 5517 1
. ILE 84 84 5517 1
. ALA 85 85 5517 1
. LYS 86 86 5517 1
. LEU 87 87 5517 1
. LEU 88 88 5517 1
. PRO 89 89 5517 1
. GLY 90 90 5517 1
. ARG 91 91 5517 1
. THR 92 92 5517 1
. ASP 93 93 5517 1
. ASN 94 94 5517 1
. ALA 95 95 5517 1
. VAL 96 96 5517 1
. LYS 97 97 5517 1
. ASN 98 98 5517 1
. HIS 99 99 5517 1
. TRP 100 100 5517 1
. ASN 101 101 5517 1
. SER 102 102 5517 1
. THR 103 103 5517 1
. ILE 104 104 5517 1
. LYS 105 105 5517 1
. ARG 106 106 5517 1
. LYS 107 107 5517 1
. VAL 108 108 5517 1
. ASP 109 109 5517 1
. THR 110 110 5517 1
stop_
save_
save_tom1a_1
_Entity.Sf_category entity
_Entity.Sf_framecode tom1a_1
_Entity.Entry_ID 5517
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name tom1a
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polydeoxyribonucleotide
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code CTCAGTCCGTTAAGGA
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 16
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID 2
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 4879
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
tom1a common 5517 2
tom1a abbreviation 5517 2
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . DC . 5517 2
2 . DT . 5517 2
3 . DC . 5517 2
4 . DA . 5517 2
5 . DG . 5517 2
6 . DT . 5517 2
7 . DC . 5517 2
8 . DC . 5517 2
9 . DG . 5517 2
10 . DT . 5517 2
11 . DT . 5517 2
12 . DA . 5517 2
13 . DA . 5517 2
14 . DG . 5517 2
15 . DG . 5517 2
16 . DA . 5517 2
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. DC 1 1 5517 2
. DT 2 2 5517 2
. DC 3 3 5517 2
. DA 4 4 5517 2
. DG 5 5 5517 2
. DT 6 6 5517 2
. DC 7 7 5517 2
. DC 8 8 5517 2
. DG 9 9 5517 2
. DT 10 10 5517 2
. DT 11 11 5517 2
. DA 12 12 5517 2
. DA 13 13 5517 2
. DG 14 14 5517 2
. DG 15 15 5517 2
. DA 16 16 5517 2
stop_
save_
save_tom1a_2
_Entity.Sf_category entity
_Entity.Sf_framecode tom1a_2
_Entity.Entry_ID 5517
_Entity.ID 3
_Entity.BMRB_code .
_Entity.Name tom1a
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polydeoxyribonucleotide
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code TCCTTAACGGACTGAG
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 16
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID 3
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 4879
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
tom1a common 5517 3
tom1a abbreviation 5517 3
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 . DT . 5517 3
2 . DC . 5517 3
3 . DC . 5517 3
4 . DT . 5517 3
5 . DT . 5517 3
6 . DA . 5517 3
7 . DA . 5517 3
8 . DC . 5517 3
9 . DG . 5517 3
10 . DG . 5517 3
11 . DA . 5517 3
12 . DC . 5517 3
13 . DT . 5517 3
14 . DG . 5517 3
15 . DA . 5517 3
16 . DG . 5517 3
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
. DT 1 1 5517 3
. DC 2 2 5517 3
. DC 3 3 5517 3
. DT 4 4 5517 3
. DT 5 5 5517 3
. DA 6 6 5517 3
. DA 7 7 5517 3
. DC 8 8 5517 3
. DG 9 9 5517 3
. DG 10 10 5517 3
. DA 11 11 5517 3
. DC 12 12 5517 3
. DT 13 13 5517 3
. DG 14 14 5517 3
. DA 15 15 5517 3
. DG 16 16 5517 3
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 5517
_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 $B_MybR2R3 . 9031 organism . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . Nucleus . . . b-myb . . . . 5517 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 5517
_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 2 $tom1a_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . Oswel . . . . 5517 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 5517
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_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 B-MybR2R3-tom1a '[U-15N; U-13C]-All but Pro' . . 1 $B_MybR2R3 . . 1.9 . . mM . . . . 5517 1
2 tom1a . . . 2 $tom1a_1 . . 1.9 . . mM . . . . 5517 1
3 tom1a . . . 3 $tom1a_2 . . 1.9 . . mM . . . . 5517 1
stop_
save_
#######################
# Sample conditions #
#######################
save_Ex-cond_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode Ex-cond_1
_Sample_condition_list.Entry_ID 5517
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 6.2 0.2 n/a 5517 1
temperature 293 1 K 5517 1
stop_
save_
############################
# Computer software used #
############################
save_XEasy
_Software.Sf_category software
_Software.Sf_framecode XEasy
_Software.Entry_ID 5517
_Software.ID 1
_Software.Name XEasy
_Software.Version .
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'peak picking' 5517 1
'manual assignment' 5517 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $ref_1 5517 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer
_NMR_spectrometer.Entry_ID 5517
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 5517
_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 NMR_spectrometer Varian INOVA . 600 . . . 5517 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 5517
_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 '1H-15N NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5517 1
2 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5517 1
3 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5517 1
4 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5517 1
5 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5517 1
6 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5517 1
stop_
save_
save_NMR_spec_expt__0_1
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1
_NMR_spec_expt.Entry_ID 5517
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name '1H-15N NOESY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID 1
_NMR_spec_expt.Software_label $XEasy
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_2
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2
_NMR_spec_expt.Entry_ID 5517
_NMR_spec_expt.ID 2
_NMR_spec_expt.Name HNCA
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID 1
_NMR_spec_expt.Software_label $XEasy
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_3
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3
_NMR_spec_expt.Entry_ID 5517
_NMR_spec_expt.ID 3
_NMR_spec_expt.Name HN(CO)CA
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID 1
_NMR_spec_expt.Software_label $XEasy
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_4
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4
_NMR_spec_expt.Entry_ID 5517
_NMR_spec_expt.ID 4
_NMR_spec_expt.Name CBCA(CO)NH
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID 1
_NMR_spec_expt.Software_label $XEasy
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_5
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5
_NMR_spec_expt.Entry_ID 5517
_NMR_spec_expt.ID 5
_NMR_spec_expt.Name HCCH-TOCSY
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID 1
_NMR_spec_expt.Software_label $XEasy
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_6
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6
_NMR_spec_expt.Entry_ID 5517
_NMR_spec_expt.ID 6
_NMR_spec_expt.Name '1H-15N HSQC'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID 1
_NMR_spec_expt.Software_label $XEasy
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference
_Chem_shift_reference.Entry_ID 5517
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5517 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5517 1
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5517 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_1
_Assigned_chem_shift_list.Entry_ID 5517
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details
;
In the B-MybR2R3 samples used here proline residues were unlabelled. Residues
46-49 were undetected due to conformational heterogeneity in this region of the
protein.
;
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_1 . 5517 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY HA2 H 1 3.87 0.01 . 1 . . . . . . . . 5517 1
2 . 1 1 1 1 GLY HA3 H 1 3.87 0.01 . 1 . . . . . . . . 5517 1
3 . 1 1 1 1 GLY CA C 13 43.20 0.2 . 1 . . . . . . . . 5517 1
4 . 1 1 2 2 ILE HA H 1 4.50 0.01 . 1 . . . . . . . . 5517 1
5 . 1 1 2 2 ILE HB H 1 1.90 0.01 . 1 . . . . . . . . 5517 1
6 . 1 1 2 2 ILE HG12 H 1 1.51 0.01 . 1 . . . . . . . . 5517 1
7 . 1 1 2 2 ILE HG13 H 1 1.22 0.01 . 1 . . . . . . . . 5517 1
8 . 1 1 2 2 ILE HD11 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1
9 . 1 1 2 2 ILE HD12 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1
10 . 1 1 2 2 ILE HD13 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1
11 . 1 1 2 2 ILE H H 1 8.65 0.01 . 1 . . . . . . . . 5517 1
12 . 1 1 2 2 ILE CA C 13 59.40 0.2 . 1 . . . . . . . . 5517 1
13 . 1 1 2 2 ILE CB C 13 38.30 0.2 . 1 . . . . . . . . 5517 1
14 . 1 1 2 2 ILE CD1 C 13 12.90 0.2 . 1 . . . . . . . . 5517 1
15 . 1 1 2 2 ILE CG1 C 13 26.70 0.2 . 1 . . . . . . . . 5517 1
16 . 1 1 2 2 ILE N N 15 121.50 0.2 . 1 . . . . . . . . 5517 1
17 . 1 1 4 4 ASP HA H 1 4.44 0.01 . 1 . . . . . . . . 5517 1
18 . 1 1 4 4 ASP HB2 H 1 2.65 0.01 . 1 . . . . . . . . 5517 1
19 . 1 1 4 4 ASP HB3 H 1 2.57 0.01 . 1 . . . . . . . . 5517 1
20 . 1 1 4 4 ASP H H 1 8.33 0.01 . 1 . . . . . . . . 5517 1
21 . 1 1 4 4 ASP CA C 13 54.70 0.2 . 1 . . . . . . . . 5517 1
22 . 1 1 4 4 ASP CB C 13 40.80 0.2 . 1 . . . . . . . . 5517 1
23 . 1 1 4 4 ASP N N 15 119.20 0.2 . 1 . . . . . . . . 5517 1
24 . 1 1 5 5 LEU HA H 1 4.30 0.01 . 1 . . . . . . . . 5517 1
25 . 1 1 5 5 LEU HB2 H 1 1.58 0.01 . 1 . . . . . . . . 5517 1
26 . 1 1 5 5 LEU HB3 H 1 1.58 0.01 . 1 . . . . . . . . 5517 1
27 . 1 1 5 5 LEU HD11 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1
28 . 1 1 5 5 LEU HD12 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1
29 . 1 1 5 5 LEU HD13 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1
30 . 1 1 5 5 LEU HD21 H 1 0.84 0.01 . 1 . . . . . . . . 5517 1
31 . 1 1 5 5 LEU HD22 H 1 0.84 0.01 . 1 . . . . . . . . 5517 1
32 . 1 1 5 5 LEU HD23 H 1 0.84 0.01 . 1 . . . . . . . . 5517 1
33 . 1 1 5 5 LEU H H 1 7.79 0.01 . 1 . . . . . . . . 5517 1
34 . 1 1 5 5 LEU CA C 13 55.30 0.2 . 1 . . . . . . . . 5517 1
35 . 1 1 5 5 LEU N N 15 120.80 0.2 . 1 . . . . . . . . 5517 1
36 . 1 1 6 6 VAL HA H 1 4.08 0.01 . 1 . . . . . . . . 5517 1
37 . 1 1 6 6 VAL HB H 1 1.92 0.01 . 1 . . . . . . . . 5517 1
38 . 1 1 6 6 VAL HG11 H 1 0.87 0.01 . 1 . . . . . . . . 5517 1
39 . 1 1 6 6 VAL HG12 H 1 0.87 0.01 . 1 . . . . . . . . 5517 1
40 . 1 1 6 6 VAL HG13 H 1 0.87 0.01 . 1 . . . . . . . . 5517 1
41 . 1 1 6 6 VAL HG21 H 1 0.75 0.01 . 1 . . . . . . . . 5517 1
42 . 1 1 6 6 VAL HG22 H 1 0.75 0.01 . 1 . . . . . . . . 5517 1
43 . 1 1 6 6 VAL HG23 H 1 0.75 0.01 . 1 . . . . . . . . 5517 1
44 . 1 1 6 6 VAL H H 1 8.84 0.01 . 1 . . . . . . . . 5517 1
45 . 1 1 6 6 VAL CA C 13 62.10 0.2 . 1 . . . . . . . . 5517 1
46 . 1 1 6 6 VAL CB C 13 33.00 0.2 . 1 . . . . . . . . 5517 1
47 . 1 1 6 6 VAL CG1 C 13 20.80 0.2 . 1 . . . . . . . . 5517 1
48 . 1 1 6 6 VAL CG2 C 13 21.00 0.2 . 1 . . . . . . . . 5517 1
49 . 1 1 6 6 VAL N N 15 123.80 0.2 . 1 . . . . . . . . 5517 1
50 . 1 1 7 7 LYS HA H 1 4.43 0.01 . 1 . . . . . . . . 5517 1
51 . 1 1 7 7 LYS HB2 H 1 1.78 0.01 . 1 . . . . . . . . 5517 1
52 . 1 1 7 7 LYS HB3 H 1 1.70 0.01 . 1 . . . . . . . . 5517 1
53 . 1 1 7 7 LYS HD2 H 1 1.66 0.01 . 1 . . . . . . . . 5517 1
54 . 1 1 7 7 LYS HD3 H 1 1.66 0.01 . 1 . . . . . . . . 5517 1
55 . 1 1 7 7 LYS HE2 H 1 2.92 0.01 . 1 . . . . . . . . 5517 1
56 . 1 1 7 7 LYS HE3 H 1 2.92 0.01 . 1 . . . . . . . . 5517 1
57 . 1 1 7 7 LYS HG2 H 1 1.39 0.01 . 1 . . . . . . . . 5517 1
58 . 1 1 7 7 LYS HG3 H 1 1.39 0.01 . 1 . . . . . . . . 5517 1
59 . 1 1 7 7 LYS H H 1 8.24 0.01 . 1 . . . . . . . . 5517 1
60 . 1 1 7 7 LYS CA C 13 55.00 0.2 . 1 . . . . . . . . 5517 1
61 . 1 1 7 7 LYS CB C 13 34.30 0.2 . 1 . . . . . . . . 5517 1
62 . 1 1 7 7 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1
63 . 1 1 7 7 LYS CE C 13 42.10 0.2 . 1 . . . . . . . . 5517 1
64 . 1 1 7 7 LYS CG C 13 25.00 0.2 . 1 . . . . . . . . 5517 1
65 . 1 1 7 7 LYS N N 15 125.30 0.2 . 1 . . . . . . . . 5517 1
66 . 1 1 8 8 GLY HA2 H 1 4.27 0.01 . 1 . . . . . . . . 5517 1
67 . 1 1 8 8 GLY HA3 H 1 3.98 0.01 . 1 . . . . . . . . 5517 1
68 . 1 1 8 8 GLY H H 1 8.82 0.01 . 1 . . . . . . . . 5517 1
69 . 1 1 8 8 GLY CA C 13 44.40 0.2 . 1 . . . . . . . . 5517 1
70 . 1 1 8 8 GLY N N 15 111.20 0.2 . 1 . . . . . . . . 5517 1
71 . 1 1 10 10 TRP HA H 1 4.24 0.01 . 1 . . . . . . . . 5517 1
72 . 1 1 10 10 TRP H H 1 9.04 0.01 . 1 . . . . . . . . 5517 1
73 . 1 1 10 10 TRP CA C 13 58.40 0.2 . 1 . . . . . . . . 5517 1
74 . 1 1 10 10 TRP CB C 13 26.60 0.2 . 1 . . . . . . . . 5517 1
75 . 1 1 10 10 TRP N N 15 125.50 0.2 . 1 . . . . . . . . 5517 1
76 . 1 1 11 11 THR HA H 1 4.68 0.01 . 1 . . . . . . . . 5517 1
77 . 1 1 11 11 THR HB H 1 4.82 0.01 . 1 . . . . . . . . 5517 1
78 . 1 1 11 11 THR HG21 H 1 1.28 0.01 . 1 . . . . . . . . 5517 1
79 . 1 1 11 11 THR HG22 H 1 1.28 0.01 . 1 . . . . . . . . 5517 1
80 . 1 1 11 11 THR HG23 H 1 1.28 0.01 . 1 . . . . . . . . 5517 1
81 . 1 1 11 11 THR H H 1 8.87 0.01 . 1 . . . . . . . . 5517 1
82 . 1 1 11 11 THR CA C 13 59.90 0.2 . 1 . . . . . . . . 5517 1
83 . 1 1 11 11 THR CB C 13 71.80 0.2 . 1 . . . . . . . . 5517 1
84 . 1 1 11 11 THR CG2 C 13 21.60 0.2 . 1 . . . . . . . . 5517 1
85 . 1 1 11 11 THR N N 15 117.00 0.2 . 1 . . . . . . . . 5517 1
86 . 1 1 12 12 LYS HA H 1 4.19 0.01 . 1 . . . . . . . . 5517 1
87 . 1 1 12 12 LYS HB2 H 1 1.95 0.01 . 1 . . . . . . . . 5517 1
88 . 1 1 12 12 LYS HB3 H 1 1.95 0.01 . 1 . . . . . . . . 5517 1
89 . 1 1 12 12 LYS HD2 H 1 1.76 0.01 . 1 . . . . . . . . 5517 1
90 . 1 1 12 12 LYS HD3 H 1 1.68 0.01 . 1 . . . . . . . . 5517 1
91 . 1 1 12 12 LYS HE2 H 1 3.04 0.01 . 1 . . . . . . . . 5517 1
92 . 1 1 12 12 LYS HE3 H 1 3.04 0.01 . 1 . . . . . . . . 5517 1
93 . 1 1 12 12 LYS HG2 H 1 1.42 0.01 . 1 . . . . . . . . 5517 1
94 . 1 1 12 12 LYS HG3 H 1 1.36 0.01 . 1 . . . . . . . . 5517 1
95 . 1 1 12 12 LYS H H 1 8.87 0.01 . 1 . . . . . . . . 5517 1
96 . 1 1 12 12 LYS CA C 13 59.40 0.2 . 1 . . . . . . . . 5517 1
97 . 1 1 12 12 LYS CB C 13 32.10 0.2 . 1 . . . . . . . . 5517 1
98 . 1 1 12 12 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1
99 . 1 1 12 12 LYS CE C 13 41.90 0.2 . 1 . . . . . . . . 5517 1
100 . 1 1 12 12 LYS CG C 13 25.00 0.2 . 1 . . . . . . . . 5517 1
101 . 1 1 12 12 LYS N N 15 121.20 0.2 . 1 . . . . . . . . 5517 1
102 . 1 1 13 13 GLU HA H 1 4.12 0.01 . 1 . . . . . . . . 5517 1
103 . 1 1 13 13 GLU HB2 H 1 2.14 0.01 . 1 . . . . . . . . 5517 1
104 . 1 1 13 13 GLU HB3 H 1 1.96 0.01 . 1 . . . . . . . . 5517 1
105 . 1 1 13 13 GLU HG2 H 1 2.43 0.01 . 1 . . . . . . . . 5517 1
106 . 1 1 13 13 GLU HG3 H 1 2.32 0.01 . 1 . . . . . . . . 5517 1
107 . 1 1 13 13 GLU H H 1 8.66 0.01 . 1 . . . . . . . . 5517 1
108 . 1 1 13 13 GLU CA C 13 60.10 0.2 . 1 . . . . . . . . 5517 1
109 . 1 1 13 13 GLU CB C 13 29.40 0.2 . 1 . . . . . . . . 5517 1
110 . 1 1 13 13 GLU CG C 13 37.10 0.2 . 1 . . . . . . . . 5517 1
111 . 1 1 13 13 GLU N N 15 118.50 0.2 . 1 . . . . . . . . 5517 1
112 . 1 1 14 14 GLU HA H 1 4.01 0.01 . 1 . . . . . . . . 5517 1
113 . 1 1 14 14 GLU HB2 H 1 2.51 0.01 . 1 . . . . . . . . 5517 1
114 . 1 1 14 14 GLU HB3 H 1 2.47 0.01 . 1 . . . . . . . . 5517 1
115 . 1 1 14 14 GLU HG2 H 1 2.53 0.01 . 1 . . . . . . . . 5517 1
116 . 1 1 14 14 GLU HG3 H 1 2.53 0.01 . 1 . . . . . . . . 5517 1
117 . 1 1 14 14 GLU H H 1 7.91 0.01 . 1 . . . . . . . . 5517 1
118 . 1 1 14 14 GLU CA C 13 60.20 0.2 . 1 . . . . . . . . 5517 1
119 . 1 1 14 14 GLU CB C 13 31.90 0.2 . 1 . . . . . . . . 5517 1
120 . 1 1 14 14 GLU CG C 13 35.90 0.2 . 1 . . . . . . . . 5517 1
121 . 1 1 14 14 GLU N N 15 121.40 0.2 . 1 . . . . . . . . 5517 1
122 . 1 1 15 15 ASP HA H 1 4.53 0.01 . 1 . . . . . . . . 5517 1
123 . 1 1 15 15 ASP HB2 H 1 2.64 0.01 . 1 . . . . . . . . 5517 1
124 . 1 1 15 15 ASP HB3 H 1 2.51 0.01 . 1 . . . . . . . . 5517 1
125 . 1 1 15 15 ASP H H 1 8.67 0.01 . 1 . . . . . . . . 5517 1
126 . 1 1 15 15 ASP CA C 13 57.50 0.2 . 1 . . . . . . . . 5517 1
127 . 1 1 15 15 ASP CB C 13 39.80 0.2 . 1 . . . . . . . . 5517 1
128 . 1 1 15 15 ASP N N 15 120.30 0.2 . 1 . . . . . . . . 5517 1
129 . 1 1 16 16 GLN HA H 1 4.04 0.01 . 1 . . . . . . . . 5517 1
130 . 1 1 16 16 GLN HB2 H 1 2.26 0.01 . 1 . . . . . . . . 5517 1
131 . 1 1 16 16 GLN HB3 H 1 2.18 0.01 . 1 . . . . . . . . 5517 1
132 . 1 1 16 16 GLN HG2 H 1 2.57 0.01 . 1 . . . . . . . . 5517 1
133 . 1 1 16 16 GLN HG3 H 1 2.52 0.01 . 1 . . . . . . . . 5517 1
134 . 1 1 16 16 GLN H H 1 8.23 0.01 . 1 . . . . . . . . 5517 1
135 . 1 1 16 16 GLN CA C 13 58.60 0.2 . 1 . . . . . . . . 5517 1
136 . 1 1 16 16 GLN CB C 13 28.50 0.2 . 1 . . . . . . . . 5517 1
137 . 1 1 16 16 GLN CG C 13 33.90 0.2 . 1 . . . . . . . . 5517 1
138 . 1 1 16 16 GLN N N 15 116.30 0.2 . 1 . . . . . . . . 5517 1
139 . 1 1 17 17 LYS HA H 1 4.24 0.01 . 1 . . . . . . . . 5517 1
140 . 1 1 17 17 LYS HB2 H 1 2.04 0.01 . 1 . . . . . . . . 5517 1
141 . 1 1 17 17 LYS HB3 H 1 2.02 0.01 . 1 . . . . . . . . 5517 1
142 . 1 1 17 17 LYS HD2 H 1 1.80 0.01 . 1 . . . . . . . . 5517 1
143 . 1 1 17 17 LYS HD3 H 1 1.79 0.01 . 1 . . . . . . . . 5517 1
144 . 1 1 17 17 LYS HE2 H 1 3.05 0.01 . 1 . . . . . . . . 5517 1
145 . 1 1 17 17 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 5517 1
146 . 1 1 17 17 LYS HG2 H 1 1.57 0.01 . 1 . . . . . . . . 5517 1
147 . 1 1 17 17 LYS HG3 H 1 1.57 0.01 . 1 . . . . . . . . 5517 1
148 . 1 1 17 17 LYS H H 1 7.83 0.01 . 1 . . . . . . . . 5517 1
149 . 1 1 17 17 LYS CA C 13 59.10 0.2 . 1 . . . . . . . . 5517 1
150 . 1 1 17 17 LYS CB C 13 32.30 0.2 . 1 . . . . . . . . 5517 1
151 . 1 1 17 17 LYS CD C 13 28.80 0.2 . 1 . . . . . . . . 5517 1
152 . 1 1 17 17 LYS CE C 13 41.90 0.2 . 1 . . . . . . . . 5517 1
153 . 1 1 17 17 LYS CG C 13 26.90 0.2 . 1 . . . . . . . . 5517 1
154 . 1 1 17 17 LYS N N 15 120.00 0.2 . 1 . . . . . . . . 5517 1
155 . 1 1 18 18 VAL HA H 1 3.65 0.01 . 1 . . . . . . . . 5517 1
156 . 1 1 18 18 VAL H H 1 8.84 0.01 . 1 . . . . . . . . 5517 1
157 . 1 1 18 18 VAL CA C 13 68.40 0.2 . 1 . . . . . . . . 5517 1
158 . 1 1 18 18 VAL N N 15 119.50 0.2 . 1 . . . . . . . . 5517 1
159 . 1 1 19 19 ILE HA H 1 3.71 0.01 . 1 . . . . . . . . 5517 1
160 . 1 1 19 19 ILE HB H 1 2.08 0.01 . 1 . . . . . . . . 5517 1
161 . 1 1 19 19 ILE HG12 H 1 1.08 0.01 . 1 . . . . . . . . 5517 1
162 . 1 1 19 19 ILE HG13 H 1 1.08 0.01 . 1 . . . . . . . . 5517 1
163 . 1 1 19 19 ILE HD11 H 1 0.91 0.01 . 1 . . . . . . . . 5517 1
164 . 1 1 19 19 ILE HD12 H 1 0.91 0.01 . 1 . . . . . . . . 5517 1
165 . 1 1 19 19 ILE HD13 H 1 0.91 0.01 . 1 . . . . . . . . 5517 1
166 . 1 1 19 19 ILE H H 1 8.38 0.01 . 1 . . . . . . . . 5517 1
167 . 1 1 19 19 ILE CA C 13 56.80 0.2 . 1 . . . . . . . . 5517 1
168 . 1 1 19 19 ILE CB C 13 37.80 0.2 . 1 . . . . . . . . 5517 1
169 . 1 1 19 19 ILE CD1 C 13 12.90 0.2 . 1 . . . . . . . . 5517 1
170 . 1 1 19 19 ILE CG2 C 13 16.90 0.2 . 1 . . . . . . . . 5517 1
171 . 1 1 19 19 ILE N N 15 119.20 0.2 . 1 . . . . . . . . 5517 1
172 . 1 1 20 20 GLU HA H 1 4.03 0.01 . 1 . . . . . . . . 5517 1
173 . 1 1 20 20 GLU HB2 H 1 2.20 0.01 . 1 . . . . . . . . 5517 1
174 . 1 1 20 20 GLU HB3 H 1 2.17 0.01 . 1 . . . . . . . . 5517 1
175 . 1 1 20 20 GLU HG2 H 1 2.42 0.01 . 1 . . . . . . . . 5517 1
176 . 1 1 20 20 GLU HG3 H 1 2.27 0.01 . 1 . . . . . . . . 5517 1
177 . 1 1 20 20 GLU H H 1 8.09 0.01 . 1 . . . . . . . . 5517 1
178 . 1 1 20 20 GLU CA C 13 59.20 0.2 . 1 . . . . . . . . 5517 1
179 . 1 1 20 20 GLU CB C 13 29.70 0.2 . 1 . . . . . . . . 5517 1
180 . 1 1 20 20 GLU CG C 13 36.20 0.2 . 1 . . . . . . . . 5517 1
181 . 1 1 20 20 GLU N N 15 119.20 0.2 . 1 . . . . . . . . 5517 1
182 . 1 1 21 21 LEU HA H 1 4.10 0.01 . 1 . . . . . . . . 5517 1
183 . 1 1 21 21 LEU H H 1 8.65 0.01 . 1 . . . . . . . . 5517 1
184 . 1 1 21 21 LEU CA C 13 57.70 0.2 . 1 . . . . . . . . 5517 1
185 . 1 1 21 21 LEU N N 15 121.50 0.2 . 1 . . . . . . . . 5517 1
186 . 1 1 22 22 VAL HA H 1 3.49 0.01 . 1 . . . . . . . . 5517 1
187 . 1 1 22 22 VAL HB H 1 1.50 0.01 . 1 . . . . . . . . 5517 1
188 . 1 1 22 22 VAL HG11 H 1 0.38 0.01 . 1 . . . . . . . . 5517 1
189 . 1 1 22 22 VAL HG12 H 1 0.38 0.01 . 1 . . . . . . . . 5517 1
190 . 1 1 22 22 VAL HG13 H 1 0.38 0.01 . 1 . . . . . . . . 5517 1
191 . 1 1 22 22 VAL HG21 H 1 -0.44 0.01 . 1 . . . . . . . . 5517 1
192 . 1 1 22 22 VAL HG22 H 1 -0.44 0.01 . 1 . . . . . . . . 5517 1
193 . 1 1 22 22 VAL HG23 H 1 -0.44 0.01 . 1 . . . . . . . . 5517 1
194 . 1 1 22 22 VAL H H 1 8.97 0.01 . 1 . . . . . . . . 5517 1
195 . 1 1 22 22 VAL CA C 13 65.40 0.2 . 1 . . . . . . . . 5517 1
196 . 1 1 22 22 VAL CB C 13 31.40 0.2 . 1 . . . . . . . . 5517 1
197 . 1 1 22 22 VAL CG1 C 13 23.60 0.2 . 1 . . . . . . . . 5517 1
198 . 1 1 22 22 VAL CG2 C 13 20.30 0.2 . 1 . . . . . . . . 5517 1
199 . 1 1 22 22 VAL N N 15 123.50 0.2 . 1 . . . . . . . . 5517 1
200 . 1 1 23 23 LYS HA H 1 3.88 0.01 . 1 . . . . . . . . 5517 1
201 . 1 1 23 23 LYS HB2 H 1 1.90 0.01 . 1 . . . . . . . . 5517 1
202 . 1 1 23 23 LYS HB3 H 1 1.84 0.01 . 1 . . . . . . . . 5517 1
203 . 1 1 23 23 LYS HD2 H 1 1.69 0.01 . 1 . . . . . . . . 5517 1
204 . 1 1 23 23 LYS HD3 H 1 1.63 0.01 . 1 . . . . . . . . 5517 1
205 . 1 1 23 23 LYS HE2 H 1 3.03 0.01 . 1 . . . . . . . . 5517 1
206 . 1 1 23 23 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 5517 1
207 . 1 1 23 23 LYS HG2 H 1 1.38 0.01 . 1 . . . . . . . . 5517 1
208 . 1 1 23 23 LYS HG3 H 1 1.34 0.01 . 1 . . . . . . . . 5517 1
209 . 1 1 23 23 LYS H H 1 7.59 0.01 . 1 . . . . . . . . 5517 1
210 . 1 1 23 23 LYS CA C 13 59.70 0.2 . 1 . . . . . . . . 5517 1
211 . 1 1 23 23 LYS CB C 13 32.10 0.2 . 1 . . . . . . . . 5517 1
212 . 1 1 23 23 LYS CD C 13 29.50 0.2 . 1 . . . . . . . . 5517 1
213 . 1 1 23 23 LYS CE C 13 41.80 0.2 . 1 . . . . . . . . 5517 1
214 . 1 1 23 23 LYS CG C 13 25.20 0.2 . 1 . . . . . . . . 5517 1
215 . 1 1 23 23 LYS N N 15 121.00 0.2 . 1 . . . . . . . . 5517 1
216 . 1 1 24 24 LYS HA H 1 3.92 0.01 . 1 . . . . . . . . 5517 1
217 . 1 1 24 24 LYS HB2 H 1 1.68 0.01 . 1 . . . . . . . . 5517 1
218 . 1 1 24 24 LYS HB3 H 1 1.55 0.01 . 1 . . . . . . . . 5517 1
219 . 1 1 24 24 LYS HD2 H 1 1.32 0.01 . 1 . . . . . . . . 5517 1
220 . 1 1 24 24 LYS HD3 H 1 1.18 0.01 . 1 . . . . . . . . 5517 1
221 . 1 1 24 24 LYS HE2 H 1 2.72 0.01 . 1 . . . . . . . . 5517 1
222 . 1 1 24 24 LYS HE3 H 1 2.69 0.01 . 1 . . . . . . . . 5517 1
223 . 1 1 24 24 LYS HG2 H 1 0.90 0.01 . 1 . . . . . . . . 5517 1
224 . 1 1 24 24 LYS HG3 H 1 0.31 0.01 . 1 . . . . . . . . 5517 1
225 . 1 1 24 24 LYS H H 1 7.05 0.01 . 1 . . . . . . . . 5517 1
226 . 1 1 24 24 LYS CA C 13 58.70 0.2 . 1 . . . . . . . . 5517 1
227 . 1 1 24 24 LYS CB C 13 34.00 0.2 . 1 . . . . . . . . 5517 1
228 . 1 1 24 24 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1
229 . 1 1 24 24 LYS CE C 13 41.80 0.2 . 1 . . . . . . . . 5517 1
230 . 1 1 24 24 LYS CG C 13 24.10 0.2 . 1 . . . . . . . . 5517 1
231 . 1 1 24 24 LYS N N 15 116.70 0.2 . 1 . . . . . . . . 5517 1
232 . 1 1 25 25 TYR HA H 1 4.55 0.01 . 1 . . . . . . . . 5517 1
233 . 1 1 25 25 TYR HB2 H 1 3.00 0.01 . 1 . . . . . . . . 5517 1
234 . 1 1 25 25 TYR HB3 H 1 2.50 0.01 . 1 . . . . . . . . 5517 1
235 . 1 1 25 25 TYR H H 1 8.73 0.01 . 1 . . . . . . . . 5517 1
236 . 1 1 25 25 TYR CA C 13 58.60 0.2 . 1 . . . . . . . . 5517 1
237 . 1 1 25 25 TYR CB C 13 39.70 0.2 . 1 . . . . . . . . 5517 1
238 . 1 1 25 25 TYR N N 15 115.00 0.2 . 1 . . . . . . . . 5517 1
239 . 1 1 26 26 GLY HA2 H 1 4.19 0.01 . 1 . . . . . . . . 5517 1
240 . 1 1 26 26 GLY HA3 H 1 3.72 0.01 . 1 . . . . . . . . 5517 1
241 . 1 1 26 26 GLY H H 1 8.49 0.01 . 1 . . . . . . . . 5517 1
242 . 1 1 26 26 GLY CA C 13 44.40 0.2 . 1 . . . . . . . . 5517 1
243 . 1 1 26 26 GLY N N 15 111.20 0.2 . 1 . . . . . . . . 5517 1
244 . 1 1 27 27 THR HA H 1 3.47 0.01 . 1 . . . . . . . . 5517 1
245 . 1 1 27 27 THR HG21 H 1 0.78 0.01 . 1 . . . . . . . . 5517 1
246 . 1 1 27 27 THR HG22 H 1 0.78 0.01 . 1 . . . . . . . . 5517 1
247 . 1 1 27 27 THR HG23 H 1 0.78 0.01 . 1 . . . . . . . . 5517 1
248 . 1 1 27 27 THR H H 1 7.73 0.01 . 1 . . . . . . . . 5517 1
249 . 1 1 27 27 THR CA C 13 60.70 0.2 . 1 . . . . . . . . 5517 1
250 . 1 1 27 27 THR CB C 13 63.50 0.2 . 1 . . . . . . . . 5517 1
251 . 1 1 27 27 THR CG2 C 13 21.50 0.2 . 1 . . . . . . . . 5517 1
252 . 1 1 27 27 THR N N 15 104.20 0.2 . 1 . . . . . . . . 5517 1
253 . 1 1 28 28 LYS HA H 1 4.46 0.01 . 1 . . . . . . . . 5517 1
254 . 1 1 28 28 LYS HB2 H 1 2.03 0.01 . 1 . . . . . . . . 5517 1
255 . 1 1 28 28 LYS HB3 H 1 2.02 0.01 . 1 . . . . . . . . 5517 1
256 . 1 1 28 28 LYS HD2 H 1 1.78 0.01 . 1 . . . . . . . . 5517 1
257 . 1 1 28 28 LYS HD3 H 1 1.68 0.01 . 1 . . . . . . . . 5517 1
258 . 1 1 28 28 LYS HE2 H 1 3.03 0.01 . 1 . . . . . . . . 5517 1
259 . 1 1 28 28 LYS HE3 H 1 3.03 0.01 . 1 . . . . . . . . 5517 1
260 . 1 1 28 28 LYS HG2 H 1 1.44 0.01 . 1 . . . . . . . . 5517 1
261 . 1 1 28 28 LYS HG3 H 1 1.44 0.01 . 1 . . . . . . . . 5517 1
262 . 1 1 28 28 LYS H H 1 8.07 0.01 . 1 . . . . . . . . 5517 1
263 . 1 1 28 28 LYS CA C 13 55.10 0.2 . 1 . . . . . . . . 5517 1
264 . 1 1 28 28 LYS CB C 13 33.60 0.2 . 1 . . . . . . . . 5517 1
265 . 1 1 28 28 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1
266 . 1 1 28 28 LYS CE C 13 41.90 0.2 . 1 . . . . . . . . 5517 1
267 . 1 1 28 28 LYS CG C 13 25.00 0.2 . 1 . . . . . . . . 5517 1
268 . 1 1 28 28 LYS N N 15 119.70 0.2 . 1 . . . . . . . . 5517 1
269 . 1 1 29 29 GLN HA H 1 4.79 0.01 . 1 . . . . . . . . 5517 1
270 . 1 1 29 29 GLN HB2 H 1 2.15 0.01 . 1 . . . . . . . . 5517 1
271 . 1 1 29 29 GLN HB3 H 1 1.41 0.01 . 1 . . . . . . . . 5517 1
272 . 1 1 29 29 GLN HG2 H 1 2.31 0.01 . 1 . . . . . . . . 5517 1
273 . 1 1 29 29 GLN HG3 H 1 2.12 0.01 . 1 . . . . . . . . 5517 1
274 . 1 1 29 29 GLN H H 1 8.05 0.01 . 1 . . . . . . . . 5517 1
275 . 1 1 29 29 GLN CA C 13 54.30 0.2 . 1 . . . . . . . . 5517 1
276 . 1 1 29 29 GLN CB C 13 29.80 0.2 . 1 . . . . . . . . 5517 1
277 . 1 1 29 29 GLN CG C 13 34.00 0.2 . 1 . . . . . . . . 5517 1
278 . 1 1 29 29 GLN N N 15 120.20 0.2 . 1 . . . . . . . . 5517 1
279 . 1 1 30 30 TRP HA H 1 4.21 0.01 . 1 . . . . . . . . 5517 1
280 . 1 1 30 30 TRP HB2 H 1 3.45 0.01 . 1 . . . . . . . . 5517 1
281 . 1 1 30 30 TRP HB3 H 1 3.45 0.01 . 1 . . . . . . . . 5517 1
282 . 1 1 30 30 TRP H H 1 7.61 0.01 . 1 . . . . . . . . 5517 1
283 . 1 1 30 30 TRP CA C 13 59.90 0.2 . 1 . . . . . . . . 5517 1
284 . 1 1 30 30 TRP CB C 13 37.90 0.2 . 1 . . . . . . . . 5517 1
285 . 1 1 30 30 TRP N N 15 122.20 0.2 . 1 . . . . . . . . 5517 1
286 . 1 1 31 31 THR HA H 1 4.05 0.01 . 1 . . . . . . . . 5517 1
287 . 1 1 31 31 THR HB H 1 4.30 0.01 . 1 . . . . . . . . 5517 1
288 . 1 1 31 31 THR HG21 H 1 1.41 0.01 . 1 . . . . . . . . 5517 1
289 . 1 1 31 31 THR HG22 H 1 1.41 0.01 . 1 . . . . . . . . 5517 1
290 . 1 1 31 31 THR HG23 H 1 1.41 0.01 . 1 . . . . . . . . 5517 1
291 . 1 1 31 31 THR H H 1 8.74 0.01 . 1 . . . . . . . . 5517 1
292 . 1 1 31 31 THR CA C 13 66.80 0.2 . 1 . . . . . . . . 5517 1
293 . 1 1 31 31 THR CB C 13 68.50 0.2 . 1 . . . . . . . . 5517 1
294 . 1 1 31 31 THR CG2 C 13 21.90 0.2 . 1 . . . . . . . . 5517 1
295 . 1 1 31 31 THR N N 15 115.70 0.2 . 1 . . . . . . . . 5517 1
296 . 1 1 32 32 LEU HA H 1 4.04 0.01 . 1 . . . . . . . . 5517 1
297 . 1 1 32 32 LEU H H 1 7.56 0.01 . 1 . . . . . . . . 5517 1
298 . 1 1 32 32 LEU CA C 13 57.80 0.2 . 1 . . . . . . . . 5517 1
299 . 1 1 32 32 LEU N N 15 124.00 0.2 . 1 . . . . . . . . 5517 1
300 . 1 1 33 33 ILE HA H 1 3.54 0.01 . 1 . . . . . . . . 5517 1
301 . 1 1 33 33 ILE HB H 1 2.25 0.01 . 1 . . . . . . . . 5517 1
302 . 1 1 33 33 ILE HD11 H 1 0.51 0.01 . 1 . . . . . . . . 5517 1
303 . 1 1 33 33 ILE HD12 H 1 0.51 0.01 . 1 . . . . . . . . 5517 1
304 . 1 1 33 33 ILE HD13 H 1 0.51 0.01 . 1 . . . . . . . . 5517 1
305 . 1 1 33 33 ILE HG12 H 1 1.62 0.01 . 1 . . . . . . . . 5517 1
306 . 1 1 33 33 ILE HG13 H 1 1.06 0.01 . 1 . . . . . . . . 5517 1
307 . 1 1 33 33 ILE HG21 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1
308 . 1 1 33 33 ILE HG22 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1
309 . 1 1 33 33 ILE HG23 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1
310 . 1 1 33 33 ILE H H 1 7.75 0.01 . 1 . . . . . . . . 5517 1
311 . 1 1 33 33 ILE CA C 13 66.50 0.2 . 1 . . . . . . . . 5517 1
312 . 1 1 33 33 ILE CB C 13 38.30 0.2 . 1 . . . . . . . . 5517 1
313 . 1 1 33 33 ILE CD1 C 13 13.40 0.2 . 1 . . . . . . . . 5517 1
314 . 1 1 33 33 ILE CG1 C 13 30.00 0.2 . 1 . . . . . . . . 5517 1
315 . 1 1 33 33 ILE CG2 C 13 16.00 0.2 . 1 . . . . . . . . 5517 1
316 . 1 1 33 33 ILE N N 15 119.70 0.2 . 1 . . . . . . . . 5517 1
317 . 1 1 34 34 ALA HA H 1 4.08 0.01 . 1 . . . . . . . . 5517 1
318 . 1 1 34 34 ALA HB1 H 1 1.61 0.01 . 1 . . . . . . . . 5517 1
319 . 1 1 34 34 ALA HB2 H 1 1.61 0.01 . 1 . . . . . . . . 5517 1
320 . 1 1 34 34 ALA HB3 H 1 1.61 0.01 . 1 . . . . . . . . 5517 1
321 . 1 1 34 34 ALA H H 1 8.65 0.01 . 1 . . . . . . . . 5517 1
322 . 1 1 34 34 ALA CA C 13 55.40 0.2 . 1 . . . . . . . . 5517 1
323 . 1 1 34 34 ALA CB C 13 18.70 0.2 . 1 . . . . . . . . 5517 1
324 . 1 1 34 34 ALA N N 15 120.70 0.2 . 1 . . . . . . . . 5517 1
325 . 1 1 35 35 LYS HA H 1 4.09 0.01 . 1 . . . . . . . . 5517 1
326 . 1 1 35 35 LYS HB2 H 1 1.97 0.01 . 1 . . . . . . . . 5517 1
327 . 1 1 35 35 LYS HB3 H 1 1.77 0.01 . 1 . . . . . . . . 5517 1
328 . 1 1 35 35 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 5517 1
329 . 1 1 35 35 LYS HD3 H 1 1.62 0.01 . 1 . . . . . . . . 5517 1
330 . 1 1 35 35 LYS HE2 H 1 2.97 0.01 . 1 . . . . . . . . 5517 1
331 . 1 1 35 35 LYS HE3 H 1 2.97 0.01 . 1 . . . . . . . . 5517 1
332 . 1 1 35 35 LYS HG2 H 1 1.43 0.01 . 1 . . . . . . . . 5517 1
333 . 1 1 35 35 LYS HG3 H 1 1.43 0.01 . 1 . . . . . . . . 5517 1
334 . 1 1 35 35 LYS H H 1 7.64 0.01 . 1 . . . . . . . . 5517 1
335 . 1 1 35 35 LYS CA C 13 58.70 0.2 . 1 . . . . . . . . 5517 1
336 . 1 1 35 35 LYS CB C 13 32.40 0.2 . 1 . . . . . . . . 5517 1
337 . 1 1 35 35 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1
338 . 1 1 35 35 LYS CE C 13 41.90 0.2 . 1 . . . . . . . . 5517 1
339 . 1 1 35 35 LYS CG C 13 25.00 0.2 . 1 . . . . . . . . 5517 1
340 . 1 1 35 35 LYS N N 15 117.00 0.2 . 1 . . . . . . . . 5517 1
341 . 1 1 36 36 HIS HA H 1 4.45 0.01 . 1 . . . . . . . . 5517 1
342 . 1 1 36 36 HIS HB2 H 1 3.41 0.01 . 1 . . . . . . . . 5517 1
343 . 1 1 36 36 HIS HB3 H 1 3.26 0.01 . 1 . . . . . . . . 5517 1
344 . 1 1 36 36 HIS H H 1 7.96 0.01 . 1 . . . . . . . . 5517 1
345 . 1 1 36 36 HIS CA C 13 57.60 0.2 . 1 . . . . . . . . 5517 1
346 . 1 1 36 36 HIS CB C 13 30.80 0.2 . 1 . . . . . . . . 5517 1
347 . 1 1 36 36 HIS N N 15 115.50 0.2 . 1 . . . . . . . . 5517 1
348 . 1 1 37 37 LEU HA H 1 4.54 0.01 . 1 . . . . . . . . 5517 1
349 . 1 1 37 37 LEU HB2 H 1 1.70 0.01 . 1 . . . . . . . . 5517 1
350 . 1 1 37 37 LEU HB3 H 1 1.70 0.01 . 1 . . . . . . . . 5517 1
351 . 1 1 37 37 LEU HG H 1 1.81 0.01 . 1 . . . . . . . . 5517 1
352 . 1 1 37 37 LEU H H 1 8.04 0.01 . 1 . . . . . . . . 5517 1
353 . 1 1 37 37 LEU CA C 13 54.70 0.2 . 1 . . . . . . . . 5517 1
354 . 1 1 37 37 LEU N N 15 124.30 0.2 . 1 . . . . . . . . 5517 1
355 . 1 1 38 38 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 5517 1
356 . 1 1 38 38 LYS HB2 H 1 1.91 0.01 . 1 . . . . . . . . 5517 1
357 . 1 1 38 38 LYS HB3 H 1 1.77 0.01 . 1 . . . . . . . . 5517 1
358 . 1 1 38 38 LYS HD2 H 1 1.67 0.01 . 1 . . . . . . . . 5517 1
359 . 1 1 38 38 LYS HD3 H 1 1.67 0.01 . 1 . . . . . . . . 5517 1
360 . 1 1 38 38 LYS HE2 H 1 2.97 0.01 . 1 . . . . . . . . 5517 1
361 . 1 1 38 38 LYS HE3 H 1 2.97 0.01 . 1 . . . . . . . . 5517 1
362 . 1 1 38 38 LYS HG2 H 1 1.43 0.01 . 1 . . . . . . . . 5517 1
363 . 1 1 38 38 LYS HG3 H 1 1.35 0.01 . 1 . . . . . . . . 5517 1
364 . 1 1 38 38 LYS H H 1 8.16 0.01 . 1 . . . . . . . . 5517 1
365 . 1 1 38 38 LYS CA C 13 57.50 0.2 . 1 . . . . . . . . 5517 1
366 . 1 1 38 38 LYS CB C 13 32.60 0.2 . 1 . . . . . . . . 5517 1
367 . 1 1 38 38 LYS CD C 13 28.90 0.2 . 1 . . . . . . . . 5517 1
368 . 1 1 38 38 LYS CE C 13 41.90 0.2 . 1 . . . . . . . . 5517 1
369 . 1 1 38 38 LYS CG C 13 24.30 0.2 . 1 . . . . . . . . 5517 1
370 . 1 1 38 38 LYS N N 15 119.00 0.2 . 1 . . . . . . . . 5517 1
371 . 1 1 39 39 GLY HA2 H 1 4.07 0.01 . 1 . . . . . . . . 5517 1
372 . 1 1 39 39 GLY HA3 H 1 3.80 0.01 . 1 . . . . . . . . 5517 1
373 . 1 1 39 39 GLY H H 1 8.72 0.01 . 1 . . . . . . . . 5517 1
374 . 1 1 39 39 GLY CA C 13 46.20 0.2 . 1 . . . . . . . . 5517 1
375 . 1 1 39 39 GLY N N 15 111.20 0.2 . 1 . . . . . . . . 5517 1
376 . 1 1 40 40 ARG HA H 1 4.99 0.01 . 1 . . . . . . . . 5517 1
377 . 1 1 40 40 ARG HB2 H 1 1.62 0.01 . 1 . . . . . . . . 5517 1
378 . 1 1 40 40 ARG HB3 H 1 1.62 0.01 . 1 . . . . . . . . 5517 1
379 . 1 1 40 40 ARG HD2 H 1 2.87 0.01 . 1 . . . . . . . . 5517 1
380 . 1 1 40 40 ARG HD3 H 1 2.68 0.01 . 1 . . . . . . . . 5517 1
381 . 1 1 40 40 ARG H H 1 7.41 0.01 . 1 . . . . . . . . 5517 1
382 . 1 1 40 40 ARG CA C 13 52.50 0.2 . 1 . . . . . . . . 5517 1
383 . 1 1 40 40 ARG CB C 13 29.80 0.2 . 1 . . . . . . . . 5517 1
384 . 1 1 40 40 ARG CD C 13 38.30 0.2 . 1 . . . . . . . . 5517 1
385 . 1 1 40 40 ARG N N 15 115.50 0.2 . 1 . . . . . . . . 5517 1
386 . 1 1 41 41 LEU HA H 1 4.78 0.01 . 1 . . . . . . . . 5517 1
387 . 1 1 41 41 LEU HD11 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1
388 . 1 1 41 41 LEU HD12 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1
389 . 1 1 41 41 LEU HD13 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1
390 . 1 1 41 41 LEU HD21 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1
391 . 1 1 41 41 LEU HD22 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1
392 . 1 1 41 41 LEU HD23 H 1 0.95 0.01 . 1 . . . . . . . . 5517 1
393 . 1 1 41 41 LEU H H 1 9.30 0.01 . 1 . . . . . . . . 5517 1
394 . 1 1 41 41 LEU CA C 13 53.30 0.2 . 1 . . . . . . . . 5517 1
395 . 1 1 41 41 LEU N N 15 120.00 0.2 . 1 . . . . . . . . 5517 1
396 . 1 1 42 42 GLY HA2 H 1 4.08 0.01 . 1 . . . . . . . . 5517 1
397 . 1 1 42 42 GLY HA3 H 1 3.79 0.01 . 1 . . . . . . . . 5517 1
398 . 1 1 42 42 GLY H H 1 10.00 0.01 . 1 . . . . . . . . 5517 1
399 . 1 1 42 42 GLY CA C 13 48.90 0.2 . 1 . . . . . . . . 5517 1
400 . 1 1 42 42 GLY N N 15 114.50 0.2 . 1 . . . . . . . . 5517 1
401 . 1 1 43 43 LYS HA H 1 3.90 0.01 . 1 . . . . . . . . 5517 1
402 . 1 1 43 43 LYS HB2 H 1 1.92 0.01 . 1 . . . . . . . . 5517 1
403 . 1 1 43 43 LYS HB3 H 1 1.79 0.01 . 1 . . . . . . . . 5517 1
404 . 1 1 43 43 LYS HD2 H 1 1.71 0.01 . 1 . . . . . . . . 5517 1
405 . 1 1 43 43 LYS HD3 H 1 1.65 0.01 . 1 . . . . . . . . 5517 1
406 . 1 1 43 43 LYS HE2 H 1 2.97 0.01 . 1 . . . . . . . . 5517 1
407 . 1 1 43 43 LYS HE3 H 1 2.97 0.01 . 1 . . . . . . . . 5517 1
408 . 1 1 43 43 LYS HG2 H 1 1.55 0.01 . 1 . . . . . . . . 5517 1
409 . 1 1 43 43 LYS HG3 H 1 1.37 0.01 . 1 . . . . . . . . 5517 1
410 . 1 1 43 43 LYS H H 1 8.95 0.01 . 1 . . . . . . . . 5517 1
411 . 1 1 43 43 LYS CA C 13 59.60 0.2 . 1 . . . . . . . . 5517 1
412 . 1 1 43 43 LYS CB C 13 32.20 0.2 . 1 . . . . . . . . 5517 1
413 . 1 1 43 43 LYS CD C 13 29.30 0.2 . 1 . . . . . . . . 5517 1
414 . 1 1 43 43 LYS CE C 13 41.90 0.2 . 1 . . . . . . . . 5517 1
415 . 1 1 43 43 LYS CG C 13 24.80 0.2 . 1 . . . . . . . . 5517 1
416 . 1 1 43 43 LYS N N 15 120.00 0.2 . 1 . . . . . . . . 5517 1
417 . 1 1 44 44 GLN HB2 H 1 2.54 0.01 . 1 . . . . . . . . 5517 1
418 . 1 1 44 44 GLN HB3 H 1 2.54 0.01 . 1 . . . . . . . . 5517 1
419 . 1 1 44 44 GLN HG2 H 1 2.36 0.01 . 1 . . . . . . . . 5517 1
420 . 1 1 44 44 GLN HG3 H 1 2.36 0.01 . 1 . . . . . . . . 5517 1
421 . 1 1 44 44 GLN H H 1 7.09 0.01 . 1 . . . . . . . . 5517 1
422 . 1 1 44 44 GLN CA C 13 58.30 0.2 . 1 . . . . . . . . 5517 1
423 . 1 1 44 44 GLN CB C 13 27.90 0.2 . 1 . . . . . . . . 5517 1
424 . 1 1 44 44 GLN CG C 13 34.00 0.2 . 1 . . . . . . . . 5517 1
425 . 1 1 44 44 GLN N N 15 117.00 0.2 . 1 . . . . . . . . 5517 1
426 . 1 1 45 45 CYS HA H 1 4.46 0.01 . 1 . . . . . . . . 5517 1
427 . 1 1 45 45 CYS HB2 H 1 3.73 0.01 . 1 . . . . . . . . 5517 1
428 . 1 1 45 45 CYS HB3 H 1 2.82 0.01 . 1 . . . . . . . . 5517 1
429 . 1 1 45 45 CYS H H 1 8.06 0.01 . 1 . . . . . . . . 5517 1
430 . 1 1 45 45 CYS CA C 13 63.40 0.2 . 1 . . . . . . . . 5517 1
431 . 1 1 45 45 CYS CB C 13 27.20 0.2 . 1 . . . . . . . . 5517 1
432 . 1 1 45 45 CYS N N 15 119.50 0.2 . 1 . . . . . . . . 5517 1
433 . 1 1 50 50 HIS HA H 1 3.86 0.01 . 1 . . . . . . . . 5517 1
434 . 1 1 50 50 HIS HB2 H 1 3.16 0.01 . 1 . . . . . . . . 5517 1
435 . 1 1 50 50 HIS HB3 H 1 3.02 0.01 . 1 . . . . . . . . 5517 1
436 . 1 1 50 50 HIS H H 1 9.06 0.01 . 1 . . . . . . . . 5517 1
437 . 1 1 50 50 HIS CA C 13 59.60 0.2 . 1 . . . . . . . . 5517 1
438 . 1 1 50 50 HIS CB C 13 30.00 0.2 . 1 . . . . . . . . 5517 1
439 . 1 1 50 50 HIS N N 15 113.70 0.2 . 1 . . . . . . . . 5517 1
440 . 1 1 51 51 ASN HA H 1 4.87 0.01 . 1 . . . . . . . . 5517 1
441 . 1 1 51 51 ASN HB2 H 1 3.05 0.01 . 1 . . . . . . . . 5517 1
442 . 1 1 51 51 ASN HB3 H 1 3.05 0.01 . 1 . . . . . . . . 5517 1
443 . 1 1 51 51 ASN H H 1 7.92 0.01 . 1 . . . . . . . . 5517 1
444 . 1 1 51 51 ASN CA C 13 53.70 0.2 . 1 . . . . . . . . 5517 1
445 . 1 1 51 51 ASN N N 15 107.50 0.2 . 1 . . . . . . . . 5517 1
446 . 1 1 52 52 HIS HA H 1 4.59 0.01 . 1 . . . . . . . . 5517 1
447 . 1 1 52 52 HIS HB2 H 1 3.01 0.01 . 1 . . . . . . . . 5517 1
448 . 1 1 52 52 HIS HB3 H 1 3.01 0.01 . 1 . . . . . . . . 5517 1
449 . 1 1 52 52 HIS H H 1 7.31 0.01 . 1 . . . . . . . . 5517 1
450 . 1 1 52 52 HIS CA C 13 58.10 0.2 . 1 . . . . . . . . 5517 1
451 . 1 1 52 52 HIS CB C 13 29.50 0.2 . 1 . . . . . . . . 5517 1
452 . 1 1 52 52 HIS N N 15 114.50 0.2 . 1 . . . . . . . . 5517 1
453 . 1 1 53 53 LEU HA H 1 4.12 0.01 . 1 . . . . . . . . 5517 1
454 . 1 1 53 53 LEU HB2 H 1 1.61 0.01 . 1 . . . . . . . . 5517 1
455 . 1 1 53 53 LEU HB3 H 1 1.61 0.01 . 1 . . . . . . . . 5517 1
456 . 1 1 53 53 LEU HG H 1 1.03 0.01 . 1 . . . . . . . . 5517 1
457 . 1 1 53 53 LEU H H 1 7.67 0.01 . 1 . . . . . . . . 5517 1
458 . 1 1 53 53 LEU CA C 13 55.40 0.2 . 1 . . . . . . . . 5517 1
459 . 1 1 53 53 LEU N N 15 116.70 0.2 . 1 . . . . . . . . 5517 1
460 . 1 1 54 54 ASN H H 1 7.47 0.01 . 1 . . . . . . . . 5517 1
461 . 1 1 54 54 ASN CA C 13 50.40 0.2 . 1 . . . . . . . . 5517 1
462 . 1 1 54 54 ASN CB C 13 39.00 0.2 . 1 . . . . . . . . 5517 1
463 . 1 1 54 54 ASN N N 15 119.70 0.2 . 1 . . . . . . . . 5517 1
464 . 1 1 56 56 GLU HA H 1 4.01 0.01 . 1 . . . . . . . . 5517 1
465 . 1 1 56 56 GLU HB2 H 1 2.10 0.01 . 1 . . . . . . . . 5517 1
466 . 1 1 56 56 GLU HB3 H 1 1.69 0.01 . 1 . . . . . . . . 5517 1
467 . 1 1 56 56 GLU HG2 H 1 2.37 0.01 . 1 . . . . . . . . 5517 1
468 . 1 1 56 56 GLU HG3 H 1 2.34 0.01 . 1 . . . . . . . . 5517 1
469 . 1 1 56 56 GLU H H 1 7.34 0.01 . 1 . . . . . . . . 5517 1
470 . 1 1 56 56 GLU CA C 13 56.40 0.2 . 1 . . . . . . . . 5517 1
471 . 1 1 56 56 GLU CB C 13 30.30 0.2 . 1 . . . . . . . . 5517 1
472 . 1 1 56 56 GLU CG C 13 35.90 0.2 . 1 . . . . . . . . 5517 1
473 . 1 1 56 56 GLU N N 15 115.20 0.2 . 1 . . . . . . . . 5517 1
474 . 1 1 57 57 VAL HA H 1 3.67 0.01 . 1 . . . . . . . . 5517 1
475 . 1 1 57 57 VAL HB H 1 1.72 0.01 . 1 . . . . . . . . 5517 1
476 . 1 1 57 57 VAL HG11 H 1 0.70 0.01 . 1 . . . . . . . . 5517 1
477 . 1 1 57 57 VAL HG12 H 1 0.70 0.01 . 1 . . . . . . . . 5517 1
478 . 1 1 57 57 VAL HG13 H 1 0.70 0.01 . 1 . . . . . . . . 5517 1
479 . 1 1 57 57 VAL HG21 H 1 0.69 0.01 . 1 . . . . . . . . 5517 1
480 . 1 1 57 57 VAL HG22 H 1 0.69 0.01 . 1 . . . . . . . . 5517 1
481 . 1 1 57 57 VAL HG23 H 1 0.69 0.01 . 1 . . . . . . . . 5517 1
482 . 1 1 57 57 VAL H H 1 7.38 0.01 . 1 . . . . . . . . 5517 1
483 . 1 1 57 57 VAL CA C 13 63.60 0.2 . 1 . . . . . . . . 5517 1
484 . 1 1 57 57 VAL CB C 13 31.80 0.2 . 1 . . . . . . . . 5517 1
485 . 1 1 57 57 VAL CG1 C 13 21.00 0.2 . 1 . . . . . . . . 5517 1
486 . 1 1 57 57 VAL CG2 C 13 21.00 0.2 . 1 . . . . . . . . 5517 1
487 . 1 1 57 57 VAL N N 15 119.70 0.2 . 1 . . . . . . . . 5517 1
488 . 1 1 58 58 LYS HA H 1 4.34 0.01 . 1 . . . . . . . . 5517 1
489 . 1 1 58 58 LYS HB2 H 1 1.53 0.01 . 1 . . . . . . . . 5517 1
490 . 1 1 58 58 LYS HB3 H 1 1.45 0.01 . 1 . . . . . . . . 5517 1
491 . 1 1 58 58 LYS HD2 H 1 1.66 0.01 . 1 . . . . . . . . 5517 1
492 . 1 1 58 58 LYS HD3 H 1 1.66 0.01 . 1 . . . . . . . . 5517 1
493 . 1 1 58 58 LYS HE2 H 1 2.80 0.01 . 1 . . . . . . . . 5517 1
494 . 1 1 58 58 LYS HE3 H 1 2.75 0.01 . 1 . . . . . . . . 5517 1
495 . 1 1 58 58 LYS HG2 H 1 1.30 0.01 . 1 . . . . . . . . 5517 1
496 . 1 1 58 58 LYS HG3 H 1 1.11 0.01 . 1 . . . . . . . . 5517 1
497 . 1 1 58 58 LYS H H 1 9.36 0.01 . 1 . . . . . . . . 5517 1
498 . 1 1 58 58 LYS CA C 13 55.10 0.2 . 1 . . . . . . . . 5517 1
499 . 1 1 58 58 LYS CB C 13 34.90 0.2 . 1 . . . . . . . . 5517 1
500 . 1 1 58 58 LYS CD C 13 28.80 0.2 . 1 . . . . . . . . 5517 1
501 . 1 1 58 58 LYS CE C 13 41.40 0.2 . 1 . . . . . . . . 5517 1
502 . 1 1 58 58 LYS CG C 13 24.90 0.2 . 1 . . . . . . . . 5517 1
503 . 1 1 58 58 LYS N N 15 129.80 0.2 . 1 . . . . . . . . 5517 1
504 . 1 1 59 59 LYS HA H 1 4.44 0.01 . 1 . . . . . . . . 5517 1
505 . 1 1 59 59 LYS HB2 H 1 1.57 0.01 . 1 . . . . . . . . 5517 1
506 . 1 1 59 59 LYS HB3 H 1 2.03 0.01 . 1 . . . . . . . . 5517 1
507 . 1 1 59 59 LYS HD2 H 1 1.71 0.01 . 1 . . . . . . . . 5517 1
508 . 1 1 59 59 LYS HD3 H 1 1.71 0.01 . 1 . . . . . . . . 5517 1
509 . 1 1 59 59 LYS HE2 H 1 3.03 0.01 . 1 . . . . . . . . 5517 1
510 . 1 1 59 59 LYS HE3 H 1 3.03 0.01 . 1 . . . . . . . . 5517 1
511 . 1 1 59 59 LYS HG2 H 1 1.43 0.01 . 1 . . . . . . . . 5517 1
512 . 1 1 59 59 LYS HG3 H 1 1.43 0.01 . 1 . . . . . . . . 5517 1
513 . 1 1 59 59 LYS H H 1 8.68 0.01 . 1 . . . . . . . . 5517 1
514 . 1 1 59 59 LYS CA C 13 54.70 0.2 . 1 . . . . . . . . 5517 1
515 . 1 1 59 59 LYS CB C 13 32.80 0.2 . 1 . . . . . . . . 5517 1
516 . 1 1 59 59 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1
517 . 1 1 59 59 LYS CE C 13 41.90 0.2 . 1 . . . . . . . . 5517 1
518 . 1 1 59 59 LYS CG C 13 25.00 0.2 . 1 . . . . . . . . 5517 1
519 . 1 1 59 59 LYS N N 15 123.50 0.2 . 1 . . . . . . . . 5517 1
520 . 1 1 60 60 SER HA H 1 4.32 0.01 . 1 . . . . . . . . 5517 1
521 . 1 1 60 60 SER HB2 H 1 3.97 0.01 . 1 . . . . . . . . 5517 1
522 . 1 1 60 60 SER HB3 H 1 3.80 0.01 . 1 . . . . . . . . 5517 1
523 . 1 1 60 60 SER H H 1 7.11 0.01 . 1 . . . . . . . . 5517 1
524 . 1 1 60 60 SER CA C 13 56.90 0.2 . 1 . . . . . . . . 5517 1
525 . 1 1 60 60 SER CB C 13 64.30 0.2 . 1 . . . . . . . . 5517 1
526 . 1 1 60 60 SER N N 15 113.20 0.2 . 1 . . . . . . . . 5517 1
527 . 1 1 61 61 SER HA H 1 4.19 0.01 . 1 . . . . . . . . 5517 1
528 . 1 1 61 61 SER HB2 H 1 3.94 0.01 . 1 . . . . . . . . 5517 1
529 . 1 1 61 61 SER HB3 H 1 3.80 0.01 . 1 . . . . . . . . 5517 1
530 . 1 1 61 61 SER H H 1 8.55 0.01 . 1 . . . . . . . . 5517 1
531 . 1 1 61 61 SER CA C 13 59.40 0.2 . 1 . . . . . . . . 5517 1
532 . 1 1 61 61 SER CB C 13 63.30 0.2 . 1 . . . . . . . . 5517 1
533 . 1 1 61 61 SER N N 15 116.70 0.2 . 1 . . . . . . . . 5517 1
534 . 1 1 62 62 TRP HA H 1 4.37 0.01 . 1 . . . . . . . . 5517 1
535 . 1 1 62 62 TRP HB2 H 1 3.07 0.01 . 1 . . . . . . . . 5517 1
536 . 1 1 62 62 TRP HB3 H 1 2.83 0.01 . 1 . . . . . . . . 5517 1
537 . 1 1 62 62 TRP H H 1 8.41 0.01 . 1 . . . . . . . . 5517 1
538 . 1 1 62 62 TRP CA C 13 57.20 0.2 . 1 . . . . . . . . 5517 1
539 . 1 1 62 62 TRP CB C 13 29.10 0.2 . 1 . . . . . . . . 5517 1
540 . 1 1 62 62 TRP N N 15 125.00 0.2 . 1 . . . . . . . . 5517 1
541 . 1 1 63 63 THR HA H 1 4.68 0.01 . 1 . . . . . . . . 5517 1
542 . 1 1 63 63 THR HB H 1 4.79 0.01 . 1 . . . . . . . . 5517 1
543 . 1 1 63 63 THR HG21 H 1 1.28 0.01 . 1 . . . . . . . . 5517 1
544 . 1 1 63 63 THR HG22 H 1 1.28 0.01 . 1 . . . . . . . . 5517 1
545 . 1 1 63 63 THR HG23 H 1 1.28 0.01 . 1 . . . . . . . . 5517 1
546 . 1 1 63 63 THR H H 1 9.38 0.01 . 1 . . . . . . . . 5517 1
547 . 1 1 63 63 THR CA C 13 60.00 0.2 . 1 . . . . . . . . 5517 1
548 . 1 1 63 63 THR CB C 13 71.80 0.2 . 1 . . . . . . . . 5517 1
549 . 1 1 63 63 THR CG2 C 13 21.70 0.2 . 1 . . . . . . . . 5517 1
550 . 1 1 63 63 THR N N 15 117.70 0.2 . 1 . . . . . . . . 5517 1
551 . 1 1 64 64 GLU HA H 1 4.17 0.01 . 1 . . . . . . . . 5517 1
552 . 1 1 64 64 GLU HB2 H 1 2.13 0.01 . 1 . . . . . . . . 5517 1
553 . 1 1 64 64 GLU HB3 H 1 2.08 0.01 . 1 . . . . . . . . 5517 1
554 . 1 1 64 64 GLU HG2 H 1 2.43 0.01 . 1 . . . . . . . . 5517 1
555 . 1 1 64 64 GLU HG3 H 1 2.39 0.01 . 1 . . . . . . . . 5517 1
556 . 1 1 64 64 GLU H H 1 8.95 0.01 . 1 . . . . . . . . 5517 1
557 . 1 1 64 64 GLU CA C 13 59.70 0.2 . 1 . . . . . . . . 5517 1
558 . 1 1 64 64 GLU CB C 13 29.50 0.2 . 1 . . . . . . . . 5517 1
559 . 1 1 64 64 GLU CG C 13 36.50 0.2 . 1 . . . . . . . . 5517 1
560 . 1 1 64 64 GLU N N 15 120.50 0.2 . 1 . . . . . . . . 5517 1
561 . 1 1 65 65 GLU HA H 1 4.23 0.01 . 1 . . . . . . . . 5517 1
562 . 1 1 65 65 GLU HB2 H 1 2.13 0.01 . 1 . . . . . . . . 5517 1
563 . 1 1 65 65 GLU HB3 H 1 1.95 0.01 . 1 . . . . . . . . 5517 1
564 . 1 1 65 65 GLU HG2 H 1 2.72 0.01 . 1 . . . . . . . . 5517 1
565 . 1 1 65 65 GLU HG3 H 1 2.42 0.01 . 1 . . . . . . . . 5517 1
566 . 1 1 65 65 GLU H H 1 8.44 0.01 . 1 . . . . . . . . 5517 1
567 . 1 1 65 65 GLU CA C 13 59.60 0.2 . 1 . . . . . . . . 5517 1
568 . 1 1 65 65 GLU CB C 13 29.60 0.2 . 1 . . . . . . . . 5517 1
569 . 1 1 65 65 GLU CG C 13 37.40 0.2 . 1 . . . . . . . . 5517 1
570 . 1 1 65 65 GLU N N 15 119.50 0.2 . 1 . . . . . . . . 5517 1
571 . 1 1 66 66 GLU HA H 1 4.00 0.01 . 1 . . . . . . . . 5517 1
572 . 1 1 66 66 GLU HB2 H 1 2.16 0.01 . 1 . . . . . . . . 5517 1
573 . 1 1 66 66 GLU HB3 H 1 1.95 0.01 . 1 . . . . . . . . 5517 1
574 . 1 1 66 66 GLU H H 1 7.91 0.01 . 1 . . . . . . . . 5517 1
575 . 1 1 66 66 GLU CA C 13 59.80 0.2 . 1 . . . . . . . . 5517 1
576 . 1 1 66 66 GLU CB C 13 29.60 0.2 . 1 . . . . . . . . 5517 1
577 . 1 1 66 66 GLU N N 15 119.70 0.2 . 1 . . . . . . . . 5517 1
578 . 1 1 67 67 ASP HA H 1 4.44 0.01 . 1 . . . . . . . . 5517 1
579 . 1 1 67 67 ASP HB2 H 1 2.84 0.01 . 1 . . . . . . . . 5517 1
580 . 1 1 67 67 ASP HB3 H 1 2.68 0.01 . 1 . . . . . . . . 5517 1
581 . 1 1 67 67 ASP H H 1 8.48 0.01 . 1 . . . . . . . . 5517 1
582 . 1 1 67 67 ASP CA C 13 57.80 0.2 . 1 . . . . . . . . 5517 1
583 . 1 1 67 67 ASP CB C 13 39.80 0.2 . 1 . . . . . . . . 5517 1
584 . 1 1 67 67 ASP N N 15 119.50 0.2 . 1 . . . . . . . . 5517 1
585 . 1 1 68 68 ARG HA H 1 4.21 0.01 . 1 . . . . . . . . 5517 1
586 . 1 1 68 68 ARG HB2 H 1 2.15 0.01 . 1 . . . . . . . . 5517 1
587 . 1 1 68 68 ARG HB3 H 1 2.02 0.01 . 1 . . . . . . . . 5517 1
588 . 1 1 68 68 ARG HD2 H 1 3.33 0.01 . 1 . . . . . . . . 5517 1
589 . 1 1 68 68 ARG HD3 H 1 3.23 0.01 . 1 . . . . . . . . 5517 1
590 . 1 1 68 68 ARG HG2 H 1 1.87 0.01 . 1 . . . . . . . . 5517 1
591 . 1 1 68 68 ARG HG3 H 1 1.75 0.01 . 1 . . . . . . . . 5517 1
592 . 1 1 68 68 ARG H H 1 8.16 0.01 . 1 . . . . . . . . 5517 1
593 . 1 1 68 68 ARG CA C 13 59.90 0.2 . 1 . . . . . . . . 5517 1
594 . 1 1 68 68 ARG CB C 13 30.00 0.2 . 1 . . . . . . . . 5517 1
595 . 1 1 68 68 ARG CD C 13 43.10 0.2 . 1 . . . . . . . . 5517 1
596 . 1 1 68 68 ARG CG C 13 27.20 0.2 . 1 . . . . . . . . 5517 1
597 . 1 1 68 68 ARG N N 15 121.50 0.2 . 1 . . . . . . . . 5517 1
598 . 1 1 69 69 ILE HA H 1 3.76 0.01 . 1 . . . . . . . . 5517 1
599 . 1 1 69 69 ILE HB H 1 2.22 0.01 . 1 . . . . . . . . 5517 1
600 . 1 1 69 69 ILE HD11 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1
601 . 1 1 69 69 ILE HD12 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1
602 . 1 1 69 69 ILE HD13 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1
603 . 1 1 69 69 ILE HG12 H 1 1.94 0.01 . 1 . . . . . . . . 5517 1
604 . 1 1 69 69 ILE HG13 H 1 1.14 0.01 . 1 . . . . . . . . 5517 1
605 . 1 1 69 69 ILE HG21 H 1 0.96 0.01 . 1 . . . . . . . . 5517 1
606 . 1 1 69 69 ILE HG22 H 1 0.96 0.01 . 1 . . . . . . . . 5517 1
607 . 1 1 69 69 ILE HG23 H 1 0.96 0.01 . 1 . . . . . . . . 5517 1
608 . 1 1 69 69 ILE H H 1 8.15 0.01 . 1 . . . . . . . . 5517 1
609 . 1 1 69 69 ILE CA C 13 65.40 0.2 . 1 . . . . . . . . 5517 1
610 . 1 1 69 69 ILE CB C 13 38.10 0.2 . 1 . . . . . . . . 5517 1
611 . 1 1 69 69 ILE CD1 C 13 13.80 0.2 . 1 . . . . . . . . 5517 1
612 . 1 1 69 69 ILE CG1 C 13 29.80 0.2 . 1 . . . . . . . . 5517 1
613 . 1 1 69 69 ILE CG2 C 13 17.60 0.2 . 1 . . . . . . . . 5517 1
614 . 1 1 69 69 ILE N N 15 120.70 0.2 . 1 . . . . . . . . 5517 1
615 . 1 1 70 70 ILE HA H 1 3.61 0.01 . 1 . . . . . . . . 5517 1
616 . 1 1 70 70 ILE HB H 1 2.25 0.01 . 1 . . . . . . . . 5517 1
617 . 1 1 70 70 ILE HD11 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1
618 . 1 1 70 70 ILE HD12 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1
619 . 1 1 70 70 ILE HD13 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1
620 . 1 1 70 70 ILE HG12 H 1 2.10 0.01 . 1 . . . . . . . . 5517 1
621 . 1 1 70 70 ILE HG13 H 1 0.97 0.01 . 1 . . . . . . . . 5517 1
622 . 1 1 70 70 ILE HG21 H 1 1.15 0.01 . 1 . . . . . . . . 5517 1
623 . 1 1 70 70 ILE HG22 H 1 1.15 0.01 . 1 . . . . . . . . 5517 1
624 . 1 1 70 70 ILE HG23 H 1 1.15 0.01 . 1 . . . . . . . . 5517 1
625 . 1 1 70 70 ILE H H 1 8.63 0.01 . 1 . . . . . . . . 5517 1
626 . 1 1 70 70 ILE CA C 13 66.50 0.2 . 1 . . . . . . . . 5517 1
627 . 1 1 70 70 ILE CB C 13 37.60 0.2 . 1 . . . . . . . . 5517 1
628 . 1 1 70 70 ILE CD1 C 13 13.70 0.2 . 1 . . . . . . . . 5517 1
629 . 1 1 70 70 ILE CG1 C 13 30.20 0.2 . 1 . . . . . . . . 5517 1
630 . 1 1 70 70 ILE CG2 C 13 18.20 0.2 . 1 . . . . . . . . 5517 1
631 . 1 1 70 70 ILE N N 15 119.00 0.2 . 1 . . . . . . . . 5517 1
632 . 1 1 71 71 PHE HA H 1 4.40 0.01 . 1 . . . . . . . . 5517 1
633 . 1 1 71 71 PHE HB2 H 1 3.42 0.01 . 1 . . . . . . . . 5517 1
634 . 1 1 71 71 PHE HB3 H 1 3.38 0.01 . 1 . . . . . . . . 5517 1
635 . 1 1 71 71 PHE H H 1 8.77 0.01 . 1 . . . . . . . . 5517 1
636 . 1 1 71 71 PHE CA C 13 62.30 0.2 . 1 . . . . . . . . 5517 1
637 . 1 1 71 71 PHE CB C 13 40.00 0.2 . 1 . . . . . . . . 5517 1
638 . 1 1 71 71 PHE N N 15 120.20 0.2 . 1 . . . . . . . . 5517 1
639 . 1 1 72 72 GLU HA H 1 3.98 0.01 . 1 . . . . . . . . 5517 1
640 . 1 1 72 72 GLU HB2 H 1 2.12 0.01 . 1 . . . . . . . . 5517 1
641 . 1 1 72 72 GLU HB3 H 1 2.12 0.01 . 1 . . . . . . . . 5517 1
642 . 1 1 72 72 GLU HG2 H 1 2.59 0.01 . 1 . . . . . . . . 5517 1
643 . 1 1 72 72 GLU HG3 H 1 2.59 0.01 . 1 . . . . . . . . 5517 1
644 . 1 1 72 72 GLU H H 1 8.75 0.01 . 1 . . . . . . . . 5517 1
645 . 1 1 72 72 GLU CA C 13 59.10 0.2 . 1 . . . . . . . . 5517 1
646 . 1 1 72 72 GLU CB C 13 29.50 0.2 . 1 . . . . . . . . 5517 1
647 . 1 1 72 72 GLU CG C 13 36.40 0.2 . 1 . . . . . . . . 5517 1
648 . 1 1 72 72 GLU N N 15 117.70 0.2 . 1 . . . . . . . . 5517 1
649 . 1 1 73 73 ALA HA H 1 4.28 0.01 . 1 . . . . . . . . 5517 1
650 . 1 1 73 73 ALA HB1 H 1 1.46 0.01 . 1 . . . . . . . . 5517 1
651 . 1 1 73 73 ALA HB2 H 1 1.46 0.01 . 1 . . . . . . . . 5517 1
652 . 1 1 73 73 ALA HB3 H 1 1.46 0.01 . 1 . . . . . . . . 5517 1
653 . 1 1 73 73 ALA H H 1 8.73 0.01 . 1 . . . . . . . . 5517 1
654 . 1 1 73 73 ALA CA C 13 54.50 0.2 . 1 . . . . . . . . 5517 1
655 . 1 1 73 73 ALA CB C 13 19.30 0.2 . 1 . . . . . . . . 5517 1
656 . 1 1 73 73 ALA N N 15 121.50 0.2 . 1 . . . . . . . . 5517 1
657 . 1 1 74 74 HIS HA H 1 3.70 0.01 . 1 . . . . . . . . 5517 1
658 . 1 1 74 74 HIS HB2 H 1 2.82 0.01 . 1 . . . . . . . . 5517 1
659 . 1 1 74 74 HIS HB3 H 1 2.82 0.01 . 1 . . . . . . . . 5517 1
660 . 1 1 74 74 HIS H H 1 9.21 0.01 . 1 . . . . . . . . 5517 1
661 . 1 1 74 74 HIS CA C 13 60.20 0.2 . 1 . . . . . . . . 5517 1
662 . 1 1 74 74 HIS CB C 13 27.80 0.2 . 1 . . . . . . . . 5517 1
663 . 1 1 74 74 HIS N N 15 117.50 0.2 . 1 . . . . . . . . 5517 1
664 . 1 1 75 75 LYS HA H 1 3.92 0.01 . 1 . . . . . . . . 5517 1
665 . 1 1 75 75 LYS HB2 H 1 1.87 0.01 . 1 . . . . . . . . 5517 1
666 . 1 1 75 75 LYS HB3 H 1 1.87 0.01 . 1 . . . . . . . . 5517 1
667 . 1 1 75 75 LYS HD2 H 1 1.68 0.01 . 1 . . . . . . . . 5517 1
668 . 1 1 75 75 LYS HD3 H 1 1.67 0.01 . 1 . . . . . . . . 5517 1
669 . 1 1 75 75 LYS HE2 H 1 2.77 0.01 . 1 . . . . . . . . 5517 1
670 . 1 1 75 75 LYS HE3 H 1 2.77 0.01 . 1 . . . . . . . . 5517 1
671 . 1 1 75 75 LYS HG2 H 1 1.54 0.01 . 1 . . . . . . . . 5517 1
672 . 1 1 75 75 LYS HG3 H 1 1.36 0.01 . 1 . . . . . . . . 5517 1
673 . 1 1 75 75 LYS H H 1 7.45 0.01 . 1 . . . . . . . . 5517 1
674 . 1 1 75 75 LYS CA C 13 59.50 0.2 . 1 . . . . . . . . 5517 1
675 . 1 1 75 75 LYS CB C 13 32.90 0.2 . 1 . . . . . . . . 5517 1
676 . 1 1 75 75 LYS CD C 13 29.50 0.2 . 1 . . . . . . . . 5517 1
677 . 1 1 75 75 LYS CE C 13 41.70 0.2 . 1 . . . . . . . . 5517 1
678 . 1 1 75 75 LYS CG C 13 24.80 0.2 . 1 . . . . . . . . 5517 1
679 . 1 1 75 75 LYS N N 15 118.50 0.2 . 1 . . . . . . . . 5517 1
680 . 1 1 76 76 VAL HA H 1 4.02 0.01 . 1 . . . . . . . . 5517 1
681 . 1 1 76 76 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 5517 1
682 . 1 1 76 76 VAL HG11 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1
683 . 1 1 76 76 VAL HG12 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1
684 . 1 1 76 76 VAL HG13 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1
685 . 1 1 76 76 VAL HG21 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1
686 . 1 1 76 76 VAL HG22 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1
687 . 1 1 76 76 VAL HG23 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1
688 . 1 1 76 76 VAL H H 1 6.78 0.01 . 1 . . . . . . . . 5517 1
689 . 1 1 76 76 VAL CA C 13 63.50 0.2 . 1 . . . . . . . . 5517 1
690 . 1 1 76 76 VAL CB C 13 33.60 0.2 . 1 . . . . . . . . 5517 1
691 . 1 1 76 76 VAL CG1 C 13 20.80 0.2 . 1 . . . . . . . . 5517 1
692 . 1 1 76 76 VAL CG2 C 13 21.40 0.2 . 1 . . . . . . . . 5517 1
693 . 1 1 76 76 VAL N N 15 113.20 0.2 . 1 . . . . . . . . 5517 1
694 . 1 1 77 77 LEU HA H 1 4.15 0.01 . 1 . . . . . . . . 5517 1
695 . 1 1 77 77 LEU HD11 H 1 0.77 0.01 . 1 . . . . . . . . 5517 1
696 . 1 1 77 77 LEU HD12 H 1 0.77 0.01 . 1 . . . . . . . . 5517 1
697 . 1 1 77 77 LEU HD13 H 1 0.77 0.01 . 1 . . . . . . . . 5517 1
698 . 1 1 77 77 LEU HD21 H 1 0.77 0.01 . 1 . . . . . . . . 5517 1
699 . 1 1 77 77 LEU HD22 H 1 0.77 0.01 . 1 . . . . . . . . 5517 1
700 . 1 1 77 77 LEU HD23 H 1 0.77 0.01 . 1 . . . . . . . . 5517 1
701 . 1 1 77 77 LEU HG H 1 1.62 0.01 . 1 . . . . . . . . 5517 1
702 . 1 1 77 77 LEU H H 1 8.46 0.01 . 1 . . . . . . . . 5517 1
703 . 1 1 77 77 LEU CA C 13 55.40 0.2 . 1 . . . . . . . . 5517 1
704 . 1 1 77 77 LEU N N 15 118.50 0.2 . 1 . . . . . . . . 5517 1
705 . 1 1 78 78 GLY HA2 H 1 3.45 0.01 . 1 . . . . . . . . 5517 1
706 . 1 1 78 78 GLY HA3 H 1 2.37 0.01 . 1 . . . . . . . . 5517 1
707 . 1 1 78 78 GLY H H 1 7.62 0.01 . 1 . . . . . . . . 5517 1
708 . 1 1 78 78 GLY CA C 13 44.50 0.2 . 1 . . . . . . . . 5517 1
709 . 1 1 78 78 GLY N N 15 108.20 0.2 . 1 . . . . . . . . 5517 1
710 . 1 1 79 79 ASN HA H 1 3.06 0.01 . 1 . . . . . . . . 5517 1
711 . 1 1 79 79 ASN HB2 H 1 2.48 0.01 . 1 . . . . . . . . 5517 1
712 . 1 1 79 79 ASN HB3 H 1 2.36 0.01 . 1 . . . . . . . . 5517 1
713 . 1 1 79 79 ASN H H 1 8.00 0.01 . 1 . . . . . . . . 5517 1
714 . 1 1 79 79 ASN CA C 13 51.50 0.2 . 1 . . . . . . . . 5517 1
715 . 1 1 79 79 ASN CB C 13 35.30 0.2 . 1 . . . . . . . . 5517 1
716 . 1 1 79 79 ASN N N 15 124.00 0.2 . 1 . . . . . . . . 5517 1
717 . 1 1 80 80 ARG HA H 1 4.85 0.01 . 1 . . . . . . . . 5517 1
718 . 1 1 80 80 ARG HB2 H 1 1.11 0.01 . 1 . . . . . . . . 5517 1
719 . 1 1 80 80 ARG HB3 H 1 1.11 0.01 . 1 . . . . . . . . 5517 1
720 . 1 1 80 80 ARG HD2 H 1 3.11 0.01 . 1 . . . . . . . . 5517 1
721 . 1 1 80 80 ARG HD3 H 1 3.07 0.01 . 1 . . . . . . . . 5517 1
722 . 1 1 80 80 ARG HG2 H 1 1.49 0.01 . 1 . . . . . . . . 5517 1
723 . 1 1 80 80 ARG HG3 H 1 1.28 0.01 . 1 . . . . . . . . 5517 1
724 . 1 1 80 80 ARG H H 1 7.01 0.01 . 1 . . . . . . . . 5517 1
725 . 1 1 80 80 ARG CA C 13 52.60 0.2 . 1 . . . . . . . . 5517 1
726 . 1 1 80 80 ARG CB C 13 28.40 0.2 . 1 . . . . . . . . 5517 1
727 . 1 1 80 80 ARG CD C 13 43.40 0.2 . 1 . . . . . . . . 5517 1
728 . 1 1 80 80 ARG CG C 13 26.50 0.2 . 1 . . . . . . . . 5517 1
729 . 1 1 80 80 ARG N N 15 123.80 0.2 . 1 . . . . . . . . 5517 1
730 . 1 1 81 81 TRP HA H 1 4.34 0.01 . 1 . . . . . . . . 5517 1
731 . 1 1 81 81 TRP HB2 H 1 3.63 0.01 . 1 . . . . . . . . 5517 1
732 . 1 1 81 81 TRP HB3 H 1 3.48 0.01 . 1 . . . . . . . . 5517 1
733 . 1 1 81 81 TRP H H 1 6.76 0.01 . 1 . . . . . . . . 5517 1
734 . 1 1 81 81 TRP CA C 13 59.00 0.2 . 1 . . . . . . . . 5517 1
735 . 1 1 81 81 TRP CB C 13 29.30 0.2 . 1 . . . . . . . . 5517 1
736 . 1 1 81 81 TRP N N 15 123.80 0.2 . 1 . . . . . . . . 5517 1
737 . 1 1 82 82 ALA HA H 1 4.19 0.01 . 1 . . . . . . . . 5517 1
738 . 1 1 82 82 ALA HB1 H 1 1.62 0.01 . 1 . . . . . . . . 5517 1
739 . 1 1 82 82 ALA HB2 H 1 1.62 0.01 . 1 . . . . . . . . 5517 1
740 . 1 1 82 82 ALA HB3 H 1 1.62 0.01 . 1 . . . . . . . . 5517 1
741 . 1 1 82 82 ALA H H 1 10.13 0.01 . 1 . . . . . . . . 5517 1
742 . 1 1 82 82 ALA CA C 13 55.80 0.2 . 1 . . . . . . . . 5517 1
743 . 1 1 82 82 ALA CB C 13 17.90 0.2 . 1 . . . . . . . . 5517 1
744 . 1 1 82 82 ALA N N 15 122.50 0.2 . 1 . . . . . . . . 5517 1
745 . 1 1 83 83 GLU HA H 1 4.01 0.01 . 1 . . . . . . . . 5517 1
746 . 1 1 83 83 GLU HB2 H 1 1.91 0.01 . 1 . . . . . . . . 5517 1
747 . 1 1 83 83 GLU HB3 H 1 1.91 0.01 . 1 . . . . . . . . 5517 1
748 . 1 1 83 83 GLU HG2 H 1 2.27 0.01 . 1 . . . . . . . . 5517 1
749 . 1 1 83 83 GLU HG3 H 1 2.16 0.01 . 1 . . . . . . . . 5517 1
750 . 1 1 83 83 GLU H H 1 7.93 0.01 . 1 . . . . . . . . 5517 1
751 . 1 1 83 83 GLU CA C 13 58.80 0.2 . 1 . . . . . . . . 5517 1
752 . 1 1 83 83 GLU CB C 13 30.80 0.2 . 1 . . . . . . . . 5517 1
753 . 1 1 83 83 GLU CG C 13 36.70 0.2 . 1 . . . . . . . . 5517 1
754 . 1 1 83 83 GLU N N 15 118.50 0.2 . 1 . . . . . . . . 5517 1
755 . 1 1 84 84 ILE HA H 1 3.50 0.01 . 1 . . . . . . . . 5517 1
756 . 1 1 84 84 ILE HD11 H 1 0.73 0.01 . 1 . . . . . . . . 5517 1
757 . 1 1 84 84 ILE HD12 H 1 0.73 0.01 . 1 . . . . . . . . 5517 1
758 . 1 1 84 84 ILE HD13 H 1 0.73 0.01 . 1 . . . . . . . . 5517 1
759 . 1 1 84 84 ILE HG21 H 1 1.02 0.01 . 1 . . . . . . . . 5517 1
760 . 1 1 84 84 ILE HG22 H 1 1.02 0.01 . 1 . . . . . . . . 5517 1
761 . 1 1 84 84 ILE HG23 H 1 1.02 0.01 . 1 . . . . . . . . 5517 1
762 . 1 1 84 84 ILE H H 1 8.39 0.01 . 1 . . . . . . . . 5517 1
763 . 1 1 84 84 ILE CA C 13 65.90 0.2 . 1 . . . . . . . . 5517 1
764 . 1 1 84 84 ILE CB C 13 38.60 0.2 . 1 . . . . . . . . 5517 1
765 . 1 1 84 84 ILE CD1 C 13 12.70 0.2 . 1 . . . . . . . . 5517 1
766 . 1 1 84 84 ILE CG2 C 13 18.20 0.2 . 1 . . . . . . . . 5517 1
767 . 1 1 84 84 ILE N N 15 121.20 0.2 . 1 . . . . . . . . 5517 1
768 . 1 1 85 85 ALA HA H 1 3.98 0.01 . 1 . . . . . . . . 5517 1
769 . 1 1 85 85 ALA HB1 H 1 1.47 0.01 . 1 . . . . . . . . 5517 1
770 . 1 1 85 85 ALA HB2 H 1 1.47 0.01 . 1 . . . . . . . . 5517 1
771 . 1 1 85 85 ALA HB3 H 1 1.47 0.01 . 1 . . . . . . . . 5517 1
772 . 1 1 85 85 ALA H H 1 9.03 0.01 . 1 . . . . . . . . 5517 1
773 . 1 1 85 85 ALA CA C 13 55.50 0.2 . 1 . . . . . . . . 5517 1
774 . 1 1 85 85 ALA CB C 13 17.30 0.2 . 1 . . . . . . . . 5517 1
775 . 1 1 85 85 ALA N N 15 120.00 0.2 . 1 . . . . . . . . 5517 1
776 . 1 1 86 86 LYS HA H 1 4.00 0.01 . 1 . . . . . . . . 5517 1
777 . 1 1 86 86 LYS HB2 H 1 1.92 0.01 . 1 . . . . . . . . 5517 1
778 . 1 1 86 86 LYS HB3 H 1 1.88 0.01 . 1 . . . . . . . . 5517 1
779 . 1 1 86 86 LYS HD2 H 1 1.75 0.01 . 1 . . . . . . . . 5517 1
780 . 1 1 86 86 LYS HD3 H 1 1.70 0.01 . 1 . . . . . . . . 5517 1
781 . 1 1 86 86 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 5517 1
782 . 1 1 86 86 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 5517 1
783 . 1 1 86 86 LYS HG2 H 1 1.47 0.01 . 1 . . . . . . . . 5517 1
784 . 1 1 86 86 LYS HG3 H 1 1.44 0.01 . 1 . . . . . . . . 5517 1
785 . 1 1 86 86 LYS H H 1 7.14 0.01 . 1 . . . . . . . . 5517 1
786 . 1 1 86 86 LYS CA C 13 59.20 0.2 . 1 . . . . . . . . 5517 1
787 . 1 1 86 86 LYS CB C 13 32.90 0.2 . 1 . . . . . . . . 5517 1
788 . 1 1 86 86 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1
789 . 1 1 86 86 LYS CE C 13 41.70 0.2 . 1 . . . . . . . . 5517 1
790 . 1 1 86 86 LYS CG C 13 23.60 0.2 . 1 . . . . . . . . 5517 1
791 . 1 1 86 86 LYS N N 15 115.70 0.2 . 1 . . . . . . . . 5517 1
792 . 1 1 87 87 LEU HA H 1 4.28 0.01 . 1 . . . . . . . . 5517 1
793 . 1 1 87 87 LEU H H 1 7.89 0.01 . 1 . . . . . . . . 5517 1
794 . 1 1 87 87 LEU CA C 13 54.80 0.2 . 1 . . . . . . . . 5517 1
795 . 1 1 87 87 LEU N N 15 117.00 0.2 . 1 . . . . . . . . 5517 1
796 . 1 1 88 88 LEU HA H 1 4.85 0.01 . 1 . . . . . . . . 5517 1
797 . 1 1 88 88 LEU H H 1 7.56 0.01 . 1 . . . . . . . . 5517 1
798 . 1 1 88 88 LEU CA C 13 51.10 0.2 . 1 . . . . . . . . 5517 1
799 . 1 1 88 88 LEU N N 15 120.00 0.2 . 1 . . . . . . . . 5517 1
800 . 1 1 90 90 GLY HA2 H 1 4.24 0.01 . 1 . . . . . . . . 5517 1
801 . 1 1 90 90 GLY HA3 H 1 3.98 0.01 . 1 . . . . . . . . 5517 1
802 . 1 1 90 90 GLY H H 1 8.80 0.01 . 1 . . . . . . . . 5517 1
803 . 1 1 90 90 GLY CA C 13 45.20 0.2 . 1 . . . . . . . . 5517 1
804 . 1 1 90 90 GLY N N 15 113.00 0.2 . 1 . . . . . . . . 5517 1
805 . 1 1 91 91 ARG HA H 1 4.99 0.01 . 1 . . . . . . . . 5517 1
806 . 1 1 91 91 ARG HB2 H 1 2.45 0.01 . 1 . . . . . . . . 5517 1
807 . 1 1 91 91 ARG HB3 H 1 2.45 0.01 . 1 . . . . . . . . 5517 1
808 . 1 1 91 91 ARG HD2 H 1 2.68 0.01 . 1 . . . . . . . . 5517 1
809 . 1 1 91 91 ARG HD3 H 1 2.68 0.01 . 1 . . . . . . . . 5517 1
810 . 1 1 91 91 ARG HG2 H 1 1.45 0.01 . 1 . . . . . . . . 5517 1
811 . 1 1 91 91 ARG HG3 H 1 1.12 0.01 . 1 . . . . . . . . 5517 1
812 . 1 1 91 91 ARG H H 1 8.22 0.01 . 1 . . . . . . . . 5517 1
813 . 1 1 91 91 ARG CA C 13 51.90 0.2 . 1 . . . . . . . . 5517 1
814 . 1 1 91 91 ARG CB C 13 31.20 0.2 . 1 . . . . . . . . 5517 1
815 . 1 1 91 91 ARG CG C 13 25.70 0.2 . 1 . . . . . . . . 5517 1
816 . 1 1 91 91 ARG N N 15 117.50 0.2 . 1 . . . . . . . . 5517 1
817 . 1 1 92 92 THR HA H 1 4.76 0.01 . 1 . . . . . . . . 5517 1
818 . 1 1 92 92 THR HB H 1 4.75 0.01 . 1 . . . . . . . . 5517 1
819 . 1 1 92 92 THR HG21 H 1 1.32 0.01 . 1 . . . . . . . . 5517 1
820 . 1 1 92 92 THR HG22 H 1 1.32 0.01 . 1 . . . . . . . . 5517 1
821 . 1 1 92 92 THR HG23 H 1 1.32 0.01 . 1 . . . . . . . . 5517 1
822 . 1 1 92 92 THR H H 1 7.71 0.01 . 1 . . . . . . . . 5517 1
823 . 1 1 92 92 THR CA C 13 59.30 0.2 . 1 . . . . . . . . 5517 1
824 . 1 1 92 92 THR CB C 13 72.10 0.2 . 1 . . . . . . . . 5517 1
825 . 1 1 92 92 THR CG2 C 13 21.90 0.2 . 1 . . . . . . . . 5517 1
826 . 1 1 92 92 THR N N 15 110.00 0.2 . 1 . . . . . . . . 5517 1
827 . 1 1 93 93 ASP HA H 1 4.00 0.01 . 1 . . . . . . . . 5517 1
828 . 1 1 93 93 ASP HB2 H 1 2.93 0.01 . 1 . . . . . . . . 5517 1
829 . 1 1 93 93 ASP HB3 H 1 2.93 0.01 . 1 . . . . . . . . 5517 1
830 . 1 1 93 93 ASP H H 1 9.43 0.01 . 1 . . . . . . . . 5517 1
831 . 1 1 93 93 ASP CA C 13 57.20 0.2 . 1 . . . . . . . . 5517 1
832 . 1 1 93 93 ASP CB C 13 38.60 0.2 . 1 . . . . . . . . 5517 1
833 . 1 1 93 93 ASP N N 15 121.20 0.2 . 1 . . . . . . . . 5517 1
834 . 1 1 94 94 ASN HA H 1 4.29 0.01 . 1 . . . . . . . . 5517 1
835 . 1 1 94 94 ASN HB2 H 1 2.73 0.01 . 1 . . . . . . . . 5517 1
836 . 1 1 94 94 ASN HB3 H 1 2.60 0.01 . 1 . . . . . . . . 5517 1
837 . 1 1 94 94 ASN H H 1 8.28 0.01 . 1 . . . . . . . . 5517 1
838 . 1 1 94 94 ASN CA C 13 56.50 0.2 . 1 . . . . . . . . 5517 1
839 . 1 1 94 94 ASN CB C 13 38.60 0.2 . 1 . . . . . . . . 5517 1
840 . 1 1 94 94 ASN N N 15 120.70 0.2 . 1 . . . . . . . . 5517 1
841 . 1 1 95 95 ALA HA H 1 4.53 0.01 . 1 . . . . . . . . 5517 1
842 . 1 1 95 95 ALA HB1 H 1 1.85 0.01 . 1 . . . . . . . . 5517 1
843 . 1 1 95 95 ALA HB2 H 1 1.85 0.01 . 1 . . . . . . . . 5517 1
844 . 1 1 95 95 ALA HB3 H 1 1.85 0.01 . 1 . . . . . . . . 5517 1
845 . 1 1 95 95 ALA H H 1 7.81 0.01 . 1 . . . . . . . . 5517 1
846 . 1 1 95 95 ALA CA C 13 55.10 0.2 . 1 . . . . . . . . 5517 1
847 . 1 1 95 95 ALA CB C 13 19.00 0.2 . 1 . . . . . . . . 5517 1
848 . 1 1 95 95 ALA N N 15 120.50 0.2 . 1 . . . . . . . . 5517 1
849 . 1 1 96 96 VAL HA H 1 3.54 0.01 . 1 . . . . . . . . 5517 1
850 . 1 1 96 96 VAL HB H 1 2.31 0.01 . 1 . . . . . . . . 5517 1
851 . 1 1 96 96 VAL HG11 H 1 1.31 0.01 . 1 . . . . . . . . 5517 1
852 . 1 1 96 96 VAL HG12 H 1 1.31 0.01 . 1 . . . . . . . . 5517 1
853 . 1 1 96 96 VAL HG13 H 1 1.31 0.01 . 1 . . . . . . . . 5517 1
854 . 1 1 96 96 VAL HG21 H 1 1.23 0.01 . 1 . . . . . . . . 5517 1
855 . 1 1 96 96 VAL HG22 H 1 1.23 0.01 . 1 . . . . . . . . 5517 1
856 . 1 1 96 96 VAL HG23 H 1 1.23 0.01 . 1 . . . . . . . . 5517 1
857 . 1 1 96 96 VAL H H 1 8.73 0.01 . 1 . . . . . . . . 5517 1
858 . 1 1 96 96 VAL CA C 13 67.20 0.2 . 1 . . . . . . . . 5517 1
859 . 1 1 96 96 VAL CB C 13 32.10 0.2 . 1 . . . . . . . . 5517 1
860 . 1 1 96 96 VAL CG1 C 13 24.10 0.2 . 1 . . . . . . . . 5517 1
861 . 1 1 96 96 VAL CG2 C 13 22.20 0.2 . 1 . . . . . . . . 5517 1
862 . 1 1 96 96 VAL N N 15 119.20 0.2 . 1 . . . . . . . . 5517 1
863 . 1 1 97 97 LYS HA H 1 4.25 0.01 . 1 . . . . . . . . 5517 1
864 . 1 1 97 97 LYS HB2 H 1 1.84 0.01 . 1 . . . . . . . . 5517 1
865 . 1 1 97 97 LYS HB3 H 1 1.27 0.01 . 1 . . . . . . . . 5517 1
866 . 1 1 97 97 LYS HD2 H 1 1.50 0.01 . 1 . . . . . . . . 5517 1
867 . 1 1 97 97 LYS HD3 H 1 1.50 0.01 . 1 . . . . . . . . 5517 1
868 . 1 1 97 97 LYS HE2 H 1 3.01 0.01 . 1 . . . . . . . . 5517 1
869 . 1 1 97 97 LYS HE3 H 1 2.79 0.01 . 1 . . . . . . . . 5517 1
870 . 1 1 97 97 LYS HG2 H 1 1.47 0.01 . 1 . . . . . . . . 5517 1
871 . 1 1 97 97 LYS HG3 H 1 1.30 0.01 . 1 . . . . . . . . 5517 1
872 . 1 1 97 97 LYS H H 1 7.69 0.01 . 1 . . . . . . . . 5517 1
873 . 1 1 97 97 LYS CA C 13 58.90 0.2 . 1 . . . . . . . . 5517 1
874 . 1 1 97 97 LYS CB C 13 32.70 0.2 . 1 . . . . . . . . 5517 1
875 . 1 1 97 97 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1
876 . 1 1 97 97 LYS CE C 13 41.70 0.2 . 1 . . . . . . . . 5517 1
877 . 1 1 97 97 LYS CG C 13 24.80 0.2 . 1 . . . . . . . . 5517 1
878 . 1 1 97 97 LYS N N 15 121.70 0.2 . 1 . . . . . . . . 5517 1
879 . 1 1 98 98 ASN HA H 1 4.51 0.01 . 1 . . . . . . . . 5517 1
880 . 1 1 98 98 ASN HB2 H 1 3.02 0.01 . 1 . . . . . . . . 5517 1
881 . 1 1 98 98 ASN HB3 H 1 2.90 0.01 . 1 . . . . . . . . 5517 1
882 . 1 1 98 98 ASN H H 1 8.51 0.01 . 1 . . . . . . . . 5517 1
883 . 1 1 98 98 ASN CA C 13 55.10 0.2 . 1 . . . . . . . . 5517 1
884 . 1 1 98 98 ASN CB C 13 41.30 0.2 . 1 . . . . . . . . 5517 1
885 . 1 1 98 98 ASN N N 15 116.20 0.2 . 1 . . . . . . . . 5517 1
886 . 1 1 99 99 HIS HA H 1 4.49 0.01 . 1 . . . . . . . . 5517 1
887 . 1 1 99 99 HIS HB2 H 1 2.88 0.01 . 1 . . . . . . . . 5517 1
888 . 1 1 99 99 HIS HB3 H 1 2.50 0.01 . 1 . . . . . . . . 5517 1
889 . 1 1 99 99 HIS H H 1 8.27 0.01 . 1 . . . . . . . . 5517 1
890 . 1 1 99 99 HIS CA C 13 57.70 0.2 . 1 . . . . . . . . 5517 1
891 . 1 1 99 99 HIS CB C 13 28.30 0.2 . 1 . . . . . . . . 5517 1
892 . 1 1 99 99 HIS N N 15 119.50 0.2 . 1 . . . . . . . . 5517 1
893 . 1 1 100 100 TRP HA H 1 3.78 0.01 . 1 . . . . . . . . 5517 1
894 . 1 1 100 100 TRP HB2 H 1 3.09 0.01 . 1 . . . . . . . . 5517 1
895 . 1 1 100 100 TRP HB3 H 1 3.08 0.01 . 1 . . . . . . . . 5517 1
896 . 1 1 100 100 TRP H H 1 8.93 0.01 . 1 . . . . . . . . 5517 1
897 . 1 1 100 100 TRP CA C 13 60.80 0.2 . 1 . . . . . . . . 5517 1
898 . 1 1 100 100 TRP N N 15 122.20 0.2 . 1 . . . . . . . . 5517 1
899 . 1 1 101 101 ASN HA H 1 4.22 0.01 . 1 . . . . . . . . 5517 1
900 . 1 1 101 101 ASN HB2 H 1 2.84 0.01 . 1 . . . . . . . . 5517 1
901 . 1 1 101 101 ASN HB3 H 1 2.65 0.01 . 1 . . . . . . . . 5517 1
902 . 1 1 101 101 ASN H H 1 8.48 0.01 . 1 . . . . . . . . 5517 1
903 . 1 1 101 101 ASN CA C 13 55.90 0.2 . 1 . . . . . . . . 5517 1
904 . 1 1 101 101 ASN CB C 13 38.60 0.2 . 1 . . . . . . . . 5517 1
905 . 1 1 101 101 ASN N N 15 113.70 0.2 . 1 . . . . . . . . 5517 1
906 . 1 1 102 102 SER HA H 1 4.20 0.01 . 1 . . . . . . . . 5517 1
907 . 1 1 102 102 SER HB2 H 1 3.88 0.01 . 1 . . . . . . . . 5517 1
908 . 1 1 102 102 SER HB3 H 1 3.82 0.01 . 1 . . . . . . . . 5517 1
909 . 1 1 102 102 SER H H 1 8.34 0.01 . 1 . . . . . . . . 5517 1
910 . 1 1 102 102 SER CA C 13 60.40 0.2 . 1 . . . . . . . . 5517 1
911 . 1 1 102 102 SER CB C 13 64.70 0.2 . 1 . . . . . . . . 5517 1
912 . 1 1 102 102 SER N N 15 111.50 0.2 . 1 . . . . . . . . 5517 1
913 . 1 1 103 103 THR HA H 1 4.18 0.01 . 1 . . . . . . . . 5517 1
914 . 1 1 103 103 THR HB H 1 3.43 0.01 . 1 . . . . . . . . 5517 1
915 . 1 1 103 103 THR HG21 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1
916 . 1 1 103 103 THR HG22 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1
917 . 1 1 103 103 THR HG23 H 1 0.99 0.01 . 1 . . . . . . . . 5517 1
918 . 1 1 103 103 THR H H 1 7.27 0.01 . 1 . . . . . . . . 5517 1
919 . 1 1 103 103 THR CA C 13 65.10 0.2 . 1 . . . . . . . . 5517 1
920 . 1 1 103 103 THR CB C 13 70.20 0.2 . 1 . . . . . . . . 5517 1
921 . 1 1 103 103 THR CG2 C 13 21.70 0.2 . 1 . . . . . . . . 5517 1
922 . 1 1 103 103 THR N N 15 113.2 0.2 . 1 . . . . . . . . 5517 1
923 . 1 1 104 104 ILE HA H 1 3.46 0.01 . 1 . . . . . . . . 5517 1
924 . 1 1 104 104 ILE HB H 1 1.40 0.01 . 1 . . . . . . . . 5517 1
925 . 1 1 104 104 ILE HD11 H 1 0.56 0.01 . 1 . . . . . . . . 5517 1
926 . 1 1 104 104 ILE HD12 H 1 0.56 0.01 . 1 . . . . . . . . 5517 1
927 . 1 1 104 104 ILE HD13 H 1 0.56 0.01 . 1 . . . . . . . . 5517 1
928 . 1 1 104 104 ILE HG12 H 1 0.71 0.01 . 1 . . . . . . . . 5517 1
929 . 1 1 104 104 ILE HG13 H 1 0.50 0.01 . 1 . . . . . . . . 5517 1
930 . 1 1 104 104 ILE HG21 H 1 0.57 0.01 . 1 . . . . . . . . 5517 1
931 . 1 1 104 104 ILE HG22 H 1 0.57 0.01 . 1 . . . . . . . . 5517 1
932 . 1 1 104 104 ILE HG23 H 1 0.57 0.01 . 1 . . . . . . . . 5517 1
933 . 1 1 104 104 ILE H H 1 7.33 0.01 . 1 . . . . . . . . 5517 1
934 . 1 1 104 104 ILE CA C 13 63.60 0.2 . 1 . . . . . . . . 5517 1
935 . 1 1 104 104 ILE CB C 13 39.30 0.2 . 1 . . . . . . . . 5517 1
936 . 1 1 104 104 ILE CD1 C 13 12.00 0.2 . 1 . . . . . . . . 5517 1
937 . 1 1 104 104 ILE CG1 C 13 27.00 0.2 . 1 . . . . . . . . 5517 1
938 . 1 1 104 104 ILE CG2 C 13 18.40 0.2 . 1 . . . . . . . . 5517 1
939 . 1 1 104 104 ILE N N 15 118.50 0.2 . 1 . . . . . . . . 5517 1
940 . 1 1 105 105 LYS HA H 1 4.14 0.01 . 1 . . . . . . . . 5517 1
941 . 1 1 105 105 LYS HB2 H 1 1.77 0.01 . 1 . . . . . . . . 5517 1
942 . 1 1 105 105 LYS HB3 H 1 1.77 0.01 . 1 . . . . . . . . 5517 1
943 . 1 1 105 105 LYS HD2 H 1 1.66 0.01 . 1 . . . . . . . . 5517 1
944 . 1 1 105 105 LYS HD3 H 1 1.66 0.01 . 1 . . . . . . . . 5517 1
945 . 1 1 105 105 LYS HE2 H 1 2.97 0.01 . 1 . . . . . . . . 5517 1
946 . 1 1 105 105 LYS HE3 H 1 2.97 0.01 . 1 . . . . . . . . 5517 1
947 . 1 1 105 105 LYS HG2 H 1 1.37 0.01 . 1 . . . . . . . . 5517 1
948 . 1 1 105 105 LYS HG3 H 1 1.37 0.01 . 1 . . . . . . . . 5517 1
949 . 1 1 105 105 LYS H H 1 7.98 0.01 . 1 . . . . . . . . 5517 1
950 . 1 1 105 105 LYS CA C 13 58.30 0.2 . 1 . . . . . . . . 5517 1
951 . 1 1 105 105 LYS CB C 13 31.50 0.2 . 1 . . . . . . . . 5517 1
952 . 1 1 105 105 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1
953 . 1 1 105 105 LYS CE C 13 41.90 0.2 . 1 . . . . . . . . 5517 1
954 . 1 1 105 105 LYS CG C 13 24.50 0.2 . 1 . . . . . . . . 5517 1
955 . 1 1 105 105 LYS N N 15 119.80 0.2 . 1 . . . . . . . . 5517 1
956 . 1 1 106 106 ARG HA H 1 4.12 0.01 . 1 . . . . . . . . 5517 1
957 . 1 1 106 106 ARG HB2 H 1 1.81 0.01 . 1 . . . . . . . . 5517 1
958 . 1 1 106 106 ARG HB3 H 1 1.72 0.01 . 1 . . . . . . . . 5517 1
959 . 1 1 106 106 ARG HD2 H 1 3.17 0.01 . 1 . . . . . . . . 5517 1
960 . 1 1 106 106 ARG HD3 H 1 3.17 0.01 . 1 . . . . . . . . 5517 1
961 . 1 1 106 106 ARG HG2 H 1 1.59 0.01 . 1 . . . . . . . . 5517 1
962 . 1 1 106 106 ARG HG3 H 1 1.45 0.01 . 1 . . . . . . . . 5517 1
963 . 1 1 106 106 ARG H H 1 7.04 0.01 . 1 . . . . . . . . 5517 1
964 . 1 1 106 106 ARG CA C 13 56.60 0.2 . 1 . . . . . . . . 5517 1
965 . 1 1 106 106 ARG CB C 13 30.30 0.2 . 1 . . . . . . . . 5517 1
966 . 1 1 106 106 ARG CD C 13 43.30 0.2 . 1 . . . . . . . . 5517 1
967 . 1 1 106 106 ARG CG C 13 27.20 0.2 . 1 . . . . . . . . 5517 1
968 . 1 1 106 106 ARG N N 15 115.50 0.2 . 1 . . . . . . . . 5517 1
969 . 1 1 107 107 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 5517 1
970 . 1 1 107 107 LYS HB2 H 1 1.88 0.01 . 1 . . . . . . . . 5517 1
971 . 1 1 107 107 LYS HB3 H 1 1.74 0.01 . 1 . . . . . . . . 5517 1
972 . 1 1 107 107 LYS HD2 H 1 1.69 0.01 . 1 . . . . . . . . 5517 1
973 . 1 1 107 107 LYS HD3 H 1 1.34 0.01 . 1 . . . . . . . . 5517 1
974 . 1 1 107 107 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 5517 1
975 . 1 1 107 107 LYS HE3 H 1 2.95 0.01 . 1 . . . . . . . . 5517 1
976 . 1 1 107 107 LYS HG2 H 1 1.44 0.01 . 1 . . . . . . . . 5517 1
977 . 1 1 107 107 LYS HG3 H 1 1.34 0.01 . 1 . . . . . . . . 5517 1
978 . 1 1 107 107 LYS H H 1 7.68 0.01 . 1 . . . . . . . . 5517 1
979 . 1 1 107 107 LYS CA C 13 56.70 0.2 . 1 . . . . . . . . 5517 1
980 . 1 1 107 107 LYS CB C 13 33.00 0.2 . 1 . . . . . . . . 5517 1
981 . 1 1 107 107 LYS CD C 13 29.10 0.2 . 1 . . . . . . . . 5517 1
982 . 1 1 107 107 LYS CE C 13 41.70 0.2 . 1 . . . . . . . . 5517 1
983 . 1 1 107 107 LYS CG C 13 24.60 0.2 . 1 . . . . . . . . 5517 1
984 . 1 1 107 107 LYS N N 15 120.00 0.2 . 1 . . . . . . . . 5517 1
985 . 1 1 108 108 VAL HA H 1 4.13 0.01 . 1 . . . . . . . . 5517 1
986 . 1 1 108 108 VAL HB H 1 2.07 0.01 . 1 . . . . . . . . 5517 1
987 . 1 1 108 108 VAL HG11 H 1 0.92 0.01 . 1 . . . . . . . . 5517 1
988 . 1 1 108 108 VAL HG12 H 1 0.92 0.01 . 1 . . . . . . . . 5517 1
989 . 1 1 108 108 VAL HG13 H 1 0.92 0.01 . 1 . . . . . . . . 5517 1
990 . 1 1 108 108 VAL HG21 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1
991 . 1 1 108 108 VAL HG22 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1
992 . 1 1 108 108 VAL HG23 H 1 0.88 0.01 . 1 . . . . . . . . 5517 1
993 . 1 1 108 108 VAL H H 1 7.62 0.01 . 1 . . . . . . . . 5517 1
994 . 1 1 108 108 VAL CA C 13 62.10 0.2 . 1 . . . . . . . . 5517 1
995 . 1 1 108 108 VAL CB C 13 33.10 0.2 . 1 . . . . . . . . 5517 1
996 . 1 1 108 108 VAL CG1 C 13 20.40 0.2 . 1 . . . . . . . . 5517 1
997 . 1 1 108 108 VAL CG2 C 13 21.08 0.2 . 1 . . . . . . . . 5517 1
998 . 1 1 108 108 VAL N N 15 118.50 0.2 . 1 . . . . . . . . 5517 1
999 . 1 1 109 109 ASP HA H 1 4.71 0.01 . 1 . . . . . . . . 5517 1
1000 . 1 1 109 109 ASP HB2 H 1 2.74 0.01 . 1 . . . . . . . . 5517 1
1001 . 1 1 109 109 ASP HB3 H 1 2.59 0.01 . 1 . . . . . . . . 5517 1
1002 . 1 1 109 109 ASP H H 1 8.31 0.01 . 1 . . . . . . . . 5517 1
1003 . 1 1 109 109 ASP CA C 13 54.40 0.2 . 1 . . . . . . . . 5517 1
1004 . 1 1 109 109 ASP CB C 13 41.30 0.2 . 1 . . . . . . . . 5517 1
1005 . 1 1 109 109 ASP N N 15 123.70 0.2 . 1 . . . . . . . . 5517 1
1006 . 1 1 110 110 THR HA H 1 4.15 0.01 . 1 . . . . . . . . 5517 1
1007 . 1 1 110 110 THR HB H 1 4.20 0.01 . 1 . . . . . . . . 5517 1
1008 . 1 1 110 110 THR HG21 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1
1009 . 1 1 110 110 THR HG22 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1
1010 . 1 1 110 110 THR HG23 H 1 1.13 0.01 . 1 . . . . . . . . 5517 1
1011 . 1 1 110 110 THR H H 1 7.69 0.01 . 1 . . . . . . . . 5517 1
1012 . 1 1 110 110 THR CA C 13 63.10 0.2 . 1 . . . . . . . . 5517 1
1013 . 1 1 110 110 THR CB C 13 71.20 0.2 . 1 . . . . . . . . 5517 1
1014 . 1 1 110 110 THR CG2 C 13 21.70 0.2 . 1 . . . . . . . . 5517 1
1015 . 1 1 110 110 THR N N 15 119.00 0.2 . 1 . . . . . . . . 5517 1
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