data_6392
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 6392
_Entry.Title
;
Refined solution structure of the human TSG-6 Link module
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2004-11-17
_Entry.Accession_date 2004-11-17
_Entry.Last_release_date 2005-11-14
_Entry.Original_release_date 2005-11-14
_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 C. Blundell . D. . 6392
2 P. Teriete . . . 6392
3 J. Kahmann . D. . 6392
4 A. Pickford . R. . 6392
5 I. Campbell . D. . 6392
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 6392
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 669 6392
'13C chemical shifts' 412 6392
'15N chemical shifts' 111 6392
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2005-11-14 2004-11-17 original author . 6392
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 6393 'Complex form with HA octasaccharide' 6392
BMRB 7221 'Link_TSG6 and hyaluronan octasaccharide complex, additional set of chemical shifts' 6392
BMRB 7222 'Link_TSG6 free form, additional set of chemical shifts' 6392
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 6392
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 15718240
_Citation.Full_citation .
_Citation.Title
;
Towards a Structure for a TSG-6{middle dot}Hyaluronan Complex by Modeling and NMR Spectroscopy: INSIGHTS INTO OTHER
MEMBERS OF THE LINK MODULE SUPERFAMILY.
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Biol. Chem.'
_Citation.Journal_name_full .
_Citation.Journal_volume 280
_Citation.Journal_issue 18
_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 18189
_Citation.Page_last 18201
_Citation.Year 2005
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 C. Blundell . D. . 6392 1
2 A. Almond . . . 6392 1
3 D. Mahoney . J. . 6392 1
4 P. Deangelis . L. . 6392 1
5 I. Campbell . D. . 6392 1
6 A. Day . J. . 6392 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'hyaluronan-binding domain' 6392 1
'carbohydrate-binding domain' 6392 1
'Link module' 6392 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_Link_TSG6
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_Link_TSG6
_Assembly.Entry_ID 6392
_Assembly.ID 1
_Assembly.Name 'human TSG-6'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'all disulfide bound'
_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
monomer 6392 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 'Link TSG6' 1 $Link_TSG6 . . . native . . . . . 6392 1
stop_
loop_
_Bond.ID
_Bond.Type
_Bond.Value_order
_Bond.Assembly_atom_ID_1
_Bond.Entity_assembly_ID_1
_Bond.Entity_assembly_name_1
_Bond.Entity_ID_1
_Bond.Comp_ID_1
_Bond.Comp_index_ID_1
_Bond.Seq_ID_1
_Bond.Atom_ID_1
_Bond.Assembly_atom_ID_2
_Bond.Entity_assembly_ID_2
_Bond.Entity_assembly_name_2
_Bond.Entity_ID_2
_Bond.Comp_ID_2
_Bond.Comp_index_ID_2
_Bond.Seq_ID_2
_Bond.Atom_ID_2
_Bond.Auth_entity_assembly_ID_1
_Bond.Auth_entity_assembly_name_1
_Bond.Auth_seq_ID_1
_Bond.Auth_comp_ID_1
_Bond.Auth_atom_ID_1
_Bond.Auth_entity_assembly_ID_2
_Bond.Auth_entity_assembly_name_2
_Bond.Auth_seq_ID_2
_Bond.Auth_comp_ID_2
_Bond.Auth_atom_ID_2
_Bond.Entry_ID
_Bond.Assembly_ID
1 disulfide single . 1 . 1 CYS 23 23 SG . 1 . 1 CYS 92 92 SG . . . . . . . . . . 6392 1
2 disulfide single . 1 . 1 CYS 47 47 SG . 1 . 1 CYS 68 68 SG . . . . . . . . . . 6392 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 1O7B . . . . . . 6392 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
'human TSG-6' system 6392 1
'Link TSG6' abbreviation 6392 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_Link_TSG6
_Entity.Sf_category entity
_Entity.Sf_framecode Link_TSG6
_Entity.Entry_ID 6392
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'human TSG-6'
_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
;
GVYHREARSGKYKLTYAEAK
AVCEFEGGHLATYKQLEAAR
KIGFHVCAAGWMAKGRVGYP
IVKPGPNCGFGKTGIIDYGI
RLNRSERWDAYCYNPHAK
;
_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 98
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'all disulfide bound'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-01-28
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 6393 . "human TSG-6" . . . . . 100.00 98 100.00 100.00 7.62e-65 . . . . 6392 1
2 no BMRB 7221 . Link_TSG6 . . . . . 100.00 98 100.00 100.00 7.62e-65 . . . . 6392 1
3 no BMRB 7222 . Link_TSG6 . . . . . 100.00 98 100.00 100.00 7.62e-65 . . . . 6392 1
4 no PDB 1O7B . "Refined Solution Structure Of The Human Tsg-6 Link Module" . . . . . 100.00 98 100.00 100.00 7.62e-65 . . . . 6392 1
5 no PDB 1O7C . "Solution Structure Of The Human Tsg-6 Link Module In The Presence Of A Hyaluronan Octasaccharide" . . . . . 100.00 98 100.00 100.00 7.62e-65 . . . . 6392 1
6 no PDB 2PF5 . "Crystal Structure Of The Human Tsg-6 Link Module" . . . . . 100.00 98 100.00 100.00 7.62e-65 . . . . 6392 1
7 no DBJ BAE24204 . "unnamed protein product [Mus musculus]" . . . . . 100.00 275 96.94 98.98 2.36e-61 . . . . 6392 1
8 no DBJ BAJ20799 . "tumor necrosis factor, alpha-induced protein 6 [synthetic construct]" . . . . . 100.00 277 100.00 100.00 8.65e-64 . . . . 6392 1
9 no EMBL CAD12353 . "TSG-6 protein [Homo sapiens]" . . . . . 100.00 277 100.00 100.00 8.65e-64 . . . . 6392 1
10 no EMBL CAD13434 . "TSG-6 protein [Homo sapiens]" . . . . . 100.00 277 100.00 100.00 9.33e-64 . . . . 6392 1
11 no EMBL CAH74219 . "tumor necrosis factor-stimulated protein TSG-6 precursor [Bos taurus]" . . . . . 100.00 280 98.98 100.00 3.97e-63 . . . . 6392 1
12 no GB AAA03342 . "secreted hyaluronate binding protein [Oryctolagus cuniculus]" . . . . . 100.00 276 97.96 97.96 1.96e-61 . . . . 6392 1
13 no GB AAB00792 . "adhesion receptor CD44 [Homo sapiens]" . . . . . 100.00 277 97.96 97.96 1.81e-61 . . . . 6392 1
14 no GB AAC53527 . "TNF-stimulated gene 6 protein [Mus musculus]" . . . . . 100.00 275 96.94 98.98 2.36e-61 . . . . 6392 1
15 no GB AAH21155 . "Tnfaip6 protein [Mus musculus]" . . . . . 100.00 275 96.94 98.98 2.36e-61 . . . . 6392 1
16 no GB AAH30205 . "Tumor necrosis factor, alpha-induced protein 6 [Homo sapiens]" . . . . . 100.00 277 100.00 100.00 8.65e-64 . . . . 6392 1
17 no REF NP_001007814 . "tumor necrosis factor-inducible gene 6 protein precursor [Bos taurus]" . . . . . 100.00 280 98.98 100.00 3.97e-63 . . . . 6392 1
18 no REF NP_001075375 . "tumor necrosis factor alpha-induced protein 6 precursor [Equus caballus]" . . . . . 100.00 277 98.98 100.00 4.20e-63 . . . . 6392 1
19 no REF NP_001075780 . "tumor necrosis factor-inducible gene 6 protein precursor [Oryctolagus cuniculus]" . . . . . 100.00 276 97.96 97.96 1.96e-61 . . . . 6392 1
20 no REF NP_001252869 . "tumor necrosis factor-inducible gene 6 protein precursor [Macaca mulatta]" . . . . . 100.00 277 97.96 100.00 3.38e-63 . . . . 6392 1
21 no REF NP_009046 . "tumor necrosis factor-inducible gene 6 protein precursor [Homo sapiens]" . . . . . 100.00 277 100.00 100.00 8.65e-64 . . . . 6392 1
22 no SP O08859 . "RecName: Full=Tumor necrosis factor-inducible gene 6 protein; AltName: Full=TNF-stimulated gene 6 protein; Short=TSG-6; AltName" . . . . . 100.00 275 96.94 98.98 2.36e-61 . . . . 6392 1
23 no SP P98065 . "RecName: Full=Tumor necrosis factor-inducible gene 6 protein; AltName: Full=Hyaluronate-binding protein PS4; AltName: Full=TNF-" . . . . . 100.00 276 97.96 97.96 1.96e-61 . . . . 6392 1
24 no SP P98066 . "RecName: Full=Tumor necrosis factor-inducible gene 6 protein; AltName: Full=Hyaluronate-binding protein; AltName: Full=TNF-stim" . . . . . 100.00 277 100.00 100.00 8.65e-64 . . . . 6392 1
25 no TPG DAA32671 . "TPA: tumor necrosis factor, alpha-induced protein 6 [Bos taurus]" . . . . . 100.00 280 98.98 100.00 3.97e-63 . . . . 6392 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'human TSG-6' common 6392 1
'Link TSG6' abbreviation 6392 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 . 6392 1
2 . VAL . 6392 1
3 . TYR . 6392 1
4 . HIS . 6392 1
5 . ARG . 6392 1
6 . GLU . 6392 1
7 . ALA . 6392 1
8 . ARG . 6392 1
9 . SER . 6392 1
10 . GLY . 6392 1
11 . LYS . 6392 1
12 . TYR . 6392 1
13 . LYS . 6392 1
14 . LEU . 6392 1
15 . THR . 6392 1
16 . TYR . 6392 1
17 . ALA . 6392 1
18 . GLU . 6392 1
19 . ALA . 6392 1
20 . LYS . 6392 1
21 . ALA . 6392 1
22 . VAL . 6392 1
23 . CYS . 6392 1
24 . GLU . 6392 1
25 . PHE . 6392 1
26 . GLU . 6392 1
27 . GLY . 6392 1
28 . GLY . 6392 1
29 . HIS . 6392 1
30 . LEU . 6392 1
31 . ALA . 6392 1
32 . THR . 6392 1
33 . TYR . 6392 1
34 . LYS . 6392 1
35 . GLN . 6392 1
36 . LEU . 6392 1
37 . GLU . 6392 1
38 . ALA . 6392 1
39 . ALA . 6392 1
40 . ARG . 6392 1
41 . LYS . 6392 1
42 . ILE . 6392 1
43 . GLY . 6392 1
44 . PHE . 6392 1
45 . HIS . 6392 1
46 . VAL . 6392 1
47 . CYS . 6392 1
48 . ALA . 6392 1
49 . ALA . 6392 1
50 . GLY . 6392 1
51 . TRP . 6392 1
52 . MET . 6392 1
53 . ALA . 6392 1
54 . LYS . 6392 1
55 . GLY . 6392 1
56 . ARG . 6392 1
57 . VAL . 6392 1
58 . GLY . 6392 1
59 . TYR . 6392 1
60 . PRO . 6392 1
61 . ILE . 6392 1
62 . VAL . 6392 1
63 . LYS . 6392 1
64 . PRO . 6392 1
65 . GLY . 6392 1
66 . PRO . 6392 1
67 . ASN . 6392 1
68 . CYS . 6392 1
69 . GLY . 6392 1
70 . PHE . 6392 1
71 . GLY . 6392 1
72 . LYS . 6392 1
73 . THR . 6392 1
74 . GLY . 6392 1
75 . ILE . 6392 1
76 . ILE . 6392 1
77 . ASP . 6392 1
78 . TYR . 6392 1
79 . GLY . 6392 1
80 . ILE . 6392 1
81 . ARG . 6392 1
82 . LEU . 6392 1
83 . ASN . 6392 1
84 . ARG . 6392 1
85 . SER . 6392 1
86 . GLU . 6392 1
87 . ARG . 6392 1
88 . TRP . 6392 1
89 . ASP . 6392 1
90 . ALA . 6392 1
91 . TYR . 6392 1
92 . CYS . 6392 1
93 . TYR . 6392 1
94 . ASN . 6392 1
95 . PRO . 6392 1
96 . HIS . 6392 1
97 . ALA . 6392 1
98 . LYS . 6392 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 6392 1
. VAL 2 2 6392 1
. TYR 3 3 6392 1
. HIS 4 4 6392 1
. ARG 5 5 6392 1
. GLU 6 6 6392 1
. ALA 7 7 6392 1
. ARG 8 8 6392 1
. SER 9 9 6392 1
. GLY 10 10 6392 1
. LYS 11 11 6392 1
. TYR 12 12 6392 1
. LYS 13 13 6392 1
. LEU 14 14 6392 1
. THR 15 15 6392 1
. TYR 16 16 6392 1
. ALA 17 17 6392 1
. GLU 18 18 6392 1
. ALA 19 19 6392 1
. LYS 20 20 6392 1
. ALA 21 21 6392 1
. VAL 22 22 6392 1
. CYS 23 23 6392 1
. GLU 24 24 6392 1
. PHE 25 25 6392 1
. GLU 26 26 6392 1
. GLY 27 27 6392 1
. GLY 28 28 6392 1
. HIS 29 29 6392 1
. LEU 30 30 6392 1
. ALA 31 31 6392 1
. THR 32 32 6392 1
. TYR 33 33 6392 1
. LYS 34 34 6392 1
. GLN 35 35 6392 1
. LEU 36 36 6392 1
. GLU 37 37 6392 1
. ALA 38 38 6392 1
. ALA 39 39 6392 1
. ARG 40 40 6392 1
. LYS 41 41 6392 1
. ILE 42 42 6392 1
. GLY 43 43 6392 1
. PHE 44 44 6392 1
. HIS 45 45 6392 1
. VAL 46 46 6392 1
. CYS 47 47 6392 1
. ALA 48 48 6392 1
. ALA 49 49 6392 1
. GLY 50 50 6392 1
. TRP 51 51 6392 1
. MET 52 52 6392 1
. ALA 53 53 6392 1
. LYS 54 54 6392 1
. GLY 55 55 6392 1
. ARG 56 56 6392 1
. VAL 57 57 6392 1
. GLY 58 58 6392 1
. TYR 59 59 6392 1
. PRO 60 60 6392 1
. ILE 61 61 6392 1
. VAL 62 62 6392 1
. LYS 63 63 6392 1
. PRO 64 64 6392 1
. GLY 65 65 6392 1
. PRO 66 66 6392 1
. ASN 67 67 6392 1
. CYS 68 68 6392 1
. GLY 69 69 6392 1
. PHE 70 70 6392 1
. GLY 71 71 6392 1
. LYS 72 72 6392 1
. THR 73 73 6392 1
. GLY 74 74 6392 1
. ILE 75 75 6392 1
. ILE 76 76 6392 1
. ASP 77 77 6392 1
. TYR 78 78 6392 1
. GLY 79 79 6392 1
. ILE 80 80 6392 1
. ARG 81 81 6392 1
. LEU 82 82 6392 1
. ASN 83 83 6392 1
. ARG 84 84 6392 1
. SER 85 85 6392 1
. GLU 86 86 6392 1
. ARG 87 87 6392 1
. TRP 88 88 6392 1
. ASP 89 89 6392 1
. ALA 90 90 6392 1
. TYR 91 91 6392 1
. CYS 92 92 6392 1
. TYR 93 93 6392 1
. ASN 94 94 6392 1
. PRO 95 95 6392 1
. HIS 96 96 6392 1
. ALA 97 97 6392 1
. LYS 98 98 6392 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 6392
_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 $Link_TSG6 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . 'Extracellular, inflammation-associated.' . . 6392 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 6392
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $Link_TSG6 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET . . . . . . 6392 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 6392
_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 'human TSG-6' . . . 1 $Link_TSG6 . . 1.0 . . mM . . . . 6392 1
2 'Na ions' . . . . . . . 2 . . mM . . . . 6392 1
3 D2O . . . . . . . 100 . . % . . . . 6392 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 6392
_Sample.ID 2
_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 'human TSG-6' [U-15N] . . 1 $Link_TSG6 . . 2.0 . . mM . . . . 6392 2
2 'Na ions' . . . . . . . 2 . . mM . . . . 6392 2
stop_
save_
save_sample_3
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3
_Sample.Entry_ID 6392
_Sample.ID 3
_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 'human TSG-6' '[U-15N; U-13C]' . . 1 $Link_TSG6 . . 2.3 . . mM . . . . 6392 3
2 'Na ions' . . . . . . . 2 . . mM . . . . 6392 3
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_cond_1
_Sample_condition_list.Entry_ID 6392
_Sample_condition_list.ID 1
_Sample_condition_list.Details
;
The sample was equilibrated for 20 minutes under these conditions before the
spectra were collected.
;
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 6.0 0.2 pH 6392 1
temperature 298 0.5 K 6392 1
'ionic strength' 2 . mM 6392 1
pressure 1 . atm 6392 1
stop_
save_
############################
# Computer software used #
############################
save_FELIX
_Software.Sf_category software
_Software.Sf_framecode FELIX
_Software.Entry_ID 6392
_Software.ID 1
_Software.Name FELIX
_Software.Version 2.3
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'spectrum processing' 6392 1
stop_
save_
save_XEasy
_Software.Sf_category software
_Software.Sf_framecode XEasy
_Software.Entry_ID 6392
_Software.ID 2
_Software.Name XEasy
_Software.Version .
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'spectrum analysis' 6392 2
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 6392
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details 'Homebuilt Spectrometer incorporating Oxford Instruments Magnet, 600MHz.'
_NMR_spectrometer.Manufacturer n/a
_NMR_spectrometer.Model n/a
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 750
save_
save_NMR_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_2
_NMR_spectrometer.Entry_ID 6392
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details 'Homebuilt Spectrometer incorporating Oxford Instruments Magnet, 750MHz.'
_NMR_spectrometer.Manufacturer n/a
_NMR_spectrometer.Model n/a
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 750
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 6392
_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_1 n/a n/a . 750 'Homebuilt Spectrometer incorporating Oxford Instruments Magnet, 600MHz.' . . 6392 1
2 NMR_spectrometer_2 n/a n/a . 750 'Homebuilt Spectrometer incorporating Oxford Instruments Magnet, 750MHz.' . . 6392 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 6392
_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 15N-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6392 1
2 15N-HSQC-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6392 1
3 13C-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6392 1
4 2D-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6392 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 6392
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name 15N-NOESY-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 .
_NMR_spec_expt.NMR_spectrometer_label .
_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 .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details 'Full details given in the publication.'
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 6392
_NMR_spec_expt.ID 2
_NMR_spec_expt.Name 15N-HSQC-NOESY-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 .
_NMR_spec_expt.NMR_spectrometer_label .
_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 .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details 'Full details given in the publication.'
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 6392
_NMR_spec_expt.ID 3
_NMR_spec_expt.Name 13C-NOESY-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 .
_NMR_spec_expt.NMR_spectrometer_label .
_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 .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details 'Full details given in the publication.'
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 6392
_NMR_spec_expt.ID 4
_NMR_spec_expt.Name 2D-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 .
_NMR_spec_expt.NMR_spectrometer_label .
_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 .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details 'Full details given in the publication.'
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 6392
_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 . . . . . . . . . 6392 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6392 1
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6392 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_chem_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6392
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_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 .
_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 . 6392 1
. . 2 $sample_2 . 6392 1
. . 3 $sample_3 . 6392 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 CA C 13 43.60 0.05 . 1 . . . . . . . . 6392 1
2 . 1 1 1 1 GLY HA2 H 1 3.83 0.02 . 1 . . . . . . . . 6392 1
3 . 1 1 1 1 GLY HA3 H 1 3.52 0.02 . 1 . . . . . . . . 6392 1
4 . 1 1 1 1 GLY C C 13 169.82 0.05 . 1 . . . . . . . . 6392 1
5 . 1 1 2 2 VAL N N 15 123.05 0.05 . 1 . . . . . . . . 6392 1
6 . 1 1 2 2 VAL H H 1 8.45 0.02 . 1 . . . . . . . . 6392 1
7 . 1 1 2 2 VAL CA C 13 60.75 0.05 . 1 . . . . . . . . 6392 1
8 . 1 1 2 2 VAL HA H 1 5.24 0.02 . 1 . . . . . . . . 6392 1
9 . 1 1 2 2 VAL CB C 13 33.41 0.05 . 1 . . . . . . . . 6392 1
10 . 1 1 2 2 VAL HB H 1 1.30 0.02 . 1 . . . . . . . . 6392 1
11 . 1 1 2 2 VAL CG1 C 13 23.67 0.05 . 1 . . . . . . . . 6392 1
12 . 1 1 2 2 VAL HG11 H 1 0.85 0.02 . 1 . . . . . . . . 6392 1
13 . 1 1 2 2 VAL HG12 H 1 0.85 0.02 . 1 . . . . . . . . 6392 1
14 . 1 1 2 2 VAL HG13 H 1 0.85 0.02 . 1 . . . . . . . . 6392 1
15 . 1 1 2 2 VAL CG2 C 13 23.03 0.05 . 1 . . . . . . . . 6392 1
16 . 1 1 2 2 VAL HG21 H 1 0.74 0.02 . 1 . . . . . . . . 6392 1
17 . 1 1 2 2 VAL HG22 H 1 0.74 0.02 . 1 . . . . . . . . 6392 1
18 . 1 1 2 2 VAL HG23 H 1 0.74 0.02 . 1 . . . . . . . . 6392 1
19 . 1 1 2 2 VAL C C 13 174.81 0.05 . 1 . . . . . . . . 6392 1
20 . 1 1 3 3 TYR N N 15 120.47 0.05 . 1 . . . . . . . . 6392 1
21 . 1 1 3 3 TYR H H 1 8.78 0.02 . 1 . . . . . . . . 6392 1
22 . 1 1 3 3 TYR CA C 13 56.17 0.05 . 1 . . . . . . . . 6392 1
23 . 1 1 3 3 TYR HA H 1 5.02 0.02 . 1 . . . . . . . . 6392 1
24 . 1 1 3 3 TYR CB C 13 40.43 0.05 . 1 . . . . . . . . 6392 1
25 . 1 1 3 3 TYR HB2 H 1 3.09 0.02 . 1 . . . . . . . . 6392 1
26 . 1 1 3 3 TYR HB3 H 1 2.97 0.02 . 1 . . . . . . . . 6392 1
27 . 1 1 3 3 TYR CD1 C 13 133.95 0.05 . 1 . . . . . . . . 6392 1
28 . 1 1 3 3 TYR HD1 H 1 6.79 0.02 . 1 . . . . . . . . 6392 1
29 . 1 1 3 3 TYR CD2 C 13 133.95 0.05 . 1 . . . . . . . . 6392 1
30 . 1 1 3 3 TYR HD2 H 1 6.79 0.02 . 1 . . . . . . . . 6392 1
31 . 1 1 3 3 TYR CE1 C 13 117.95 0.05 . 1 . . . . . . . . 6392 1
32 . 1 1 3 3 TYR HE1 H 1 6.59 0.02 . 1 . . . . . . . . 6392 1
33 . 1 1 3 3 TYR CE2 C 13 117.95 0.05 . 1 . . . . . . . . 6392 1
34 . 1 1 3 3 TYR HE2 H 1 6.59 0.02 . 1 . . . . . . . . 6392 1
35 . 1 1 3 3 TYR C C 13 172.74 0.05 . 1 . . . . . . . . 6392 1
36 . 1 1 4 4 HIS N N 15 121.64 0.05 . 1 . . . . . . . . 6392 1
37 . 1 1 4 4 HIS H H 1 9.31 0.02 . 1 . . . . . . . . 6392 1
38 . 1 1 4 4 HIS CA C 13 54.71 0.05 . 1 . . . . . . . . 6392 1
39 . 1 1 4 4 HIS HA H 1 4.91 0.02 . 1 . . . . . . . . 6392 1
40 . 1 1 4 4 HIS NE2 N 15 175.93 0.05 . 1 . . . . . . . . 6392 1
41 . 1 1 4 4 HIS CD2 C 13 117.22 0.05 . 1 . . . . . . . . 6392 1
42 . 1 1 4 4 HIS HD2 H 1 6.34 0.02 . 1 . . . . . . . . 6392 1
43 . 1 1 4 4 HIS CE1 C 13 137.91 0.05 . 1 . . . . . . . . 6392 1
44 . 1 1 4 4 HIS HE1 H 1 8.13 0.02 . 1 . . . . . . . . 6392 1
45 . 1 1 4 4 HIS CB C 13 32.64 0.05 . 1 . . . . . . . . 6392 1
46 . 1 1 4 4 HIS HB2 H 1 3.36 0.02 . 1 . . . . . . . . 6392 1
47 . 1 1 4 4 HIS HB3 H 1 3.27 0.02 . 1 . . . . . . . . 6392 1
48 . 1 1 4 4 HIS C C 13 173.35 0.05 . 1 . . . . . . . . 6392 1
49 . 1 1 5 5 ARG N N 15 128.76 0.05 . 1 . . . . . . . . 6392 1
50 . 1 1 5 5 ARG H H 1 8.79 0.02 . 1 . . . . . . . . 6392 1
51 . 1 1 5 5 ARG CA C 13 53.31 0.05 . 1 . . . . . . . . 6392 1
52 . 1 1 5 5 ARG HA H 1 4.60 0.02 . 1 . . . . . . . . 6392 1
53 . 1 1 5 5 ARG CB C 13 33.99 0.05 . 1 . . . . . . . . 6392 1
54 . 1 1 5 5 ARG HB2 H 1 1.48 0.02 . 1 . . . . . . . . 6392 1
55 . 1 1 5 5 ARG HB3 H 1 1.48 0.02 . 1 . . . . . . . . 6392 1
56 . 1 1 5 5 ARG CG C 13 27.97 0.05 . 1 . . . . . . . . 6392 1
57 . 1 1 5 5 ARG HG2 H 1 1.48 0.02 . 1 . . . . . . . . 6392 1
58 . 1 1 5 5 ARG HG3 H 1 1.48 0.02 . 1 . . . . . . . . 6392 1
59 . 1 1 5 5 ARG CD C 13 41.91 0.05 . 1 . . . . . . . . 6392 1
60 . 1 1 5 5 ARG HD2 H 1 3.49 0.02 . 1 . . . . . . . . 6392 1
61 . 1 1 5 5 ARG HD3 H 1 3.27 0.02 . 1 . . . . . . . . 6392 1
62 . 1 1 5 5 ARG NE N 15 87.05 0.05 . 1 . . . . . . . . 6392 1
63 . 1 1 5 5 ARG HE H 1 8.79 0.02 . 1 . . . . . . . . 6392 1
64 . 1 1 5 5 ARG C C 13 173.05 0.05 . 1 . . . . . . . . 6392 1
65 . 1 1 6 6 GLU N N 15 121.14 0.05 . 1 . . . . . . . . 6392 1
66 . 1 1 6 6 GLU H H 1 8.19 0.02 . 1 . . . . . . . . 6392 1
67 . 1 1 6 6 GLU CA C 13 53.36 0.05 . 1 . . . . . . . . 6392 1
68 . 1 1 6 6 GLU HA H 1 4.48 0.02 . 1 . . . . . . . . 6392 1
69 . 1 1 6 6 GLU CB C 13 33.32 0.05 . 1 . . . . . . . . 6392 1
70 . 1 1 6 6 GLU HB2 H 1 1.91 0.02 . 1 . . . . . . . . 6392 1
71 . 1 1 6 6 GLU HB3 H 1 1.74 0.02 . 1 . . . . . . . . 6392 1
72 . 1 1 6 6 GLU CG C 13 35.66 0.05 . 1 . . . . . . . . 6392 1
73 . 1 1 6 6 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 6392 1
74 . 1 1 6 6 GLU HG3 H 1 2.00 0.02 . 1 . . . . . . . . 6392 1
75 . 1 1 6 6 GLU C C 13 176.75 0.05 . 1 . . . . . . . . 6392 1
76 . 1 1 7 7 ALA N N 15 123.68 0.05 . 1 . . . . . . . . 6392 1
77 . 1 1 7 7 ALA H H 1 8.86 0.02 . 1 . . . . . . . . 6392 1
78 . 1 1 7 7 ALA CA C 13 52.33 0.05 . 1 . . . . . . . . 6392 1
79 . 1 1 7 7 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 6392 1
80 . 1 1 7 7 ALA CB C 13 20.18 0.05 . 1 . . . . . . . . 6392 1
81 . 1 1 7 7 ALA HB1 H 1 1.50 0.02 . 1 . . . . . . . . 6392 1
82 . 1 1 7 7 ALA HB2 H 1 1.50 0.02 . 1 . . . . . . . . 6392 1
83 . 1 1 7 7 ALA HB3 H 1 1.50 0.02 . 1 . . . . . . . . 6392 1
84 . 1 1 7 7 ALA C C 13 178.69 0.05 . 1 . . . . . . . . 6392 1
85 . 1 1 8 8 ARG N N 15 122.55 0.05 . 1 . . . . . . . . 6392 1
86 . 1 1 8 8 ARG H H 1 8.97 0.02 . 1 . . . . . . . . 6392 1
87 . 1 1 8 8 ARG CA C 13 58.78 0.05 . 1 . . . . . . . . 6392 1
88 . 1 1 8 8 ARG HA H 1 4.00 0.02 . 1 . . . . . . . . 6392 1
89 . 1 1 8 8 ARG CB C 13 29.45 0.05 . 1 . . . . . . . . 6392 1
90 . 1 1 8 8 ARG HB2 H 1 1.82 0.02 . 1 . . . . . . . . 6392 1
91 . 1 1 8 8 ARG HB3 H 1 1.82 0.02 . 1 . . . . . . . . 6392 1
92 . 1 1 8 8 ARG CG C 13 27.15 0.05 . 1 . . . . . . . . 6392 1
93 . 1 1 8 8 ARG HG2 H 1 1.70 0.02 . 1 . . . . . . . . 6392 1
94 . 1 1 8 8 ARG HG3 H 1 1.70 0.02 . 1 . . . . . . . . 6392 1
95 . 1 1 8 8 ARG CD C 13 43.27 0.05 . 1 . . . . . . . . 6392 1
96 . 1 1 8 8 ARG HD2 H 1 3.18 0.02 . 1 . . . . . . . . 6392 1
97 . 1 1 8 8 ARG HD3 H 1 3.18 0.02 . 1 . . . . . . . . 6392 1
98 . 1 1 8 8 ARG NE N 15 84.47 0.05 . 1 . . . . . . . . 6392 1
99 . 1 1 8 8 ARG HE H 1 7.18 0.02 . 1 . . . . . . . . 6392 1
100 . 1 1 8 8 ARG C C 13 177.64 0.05 . 1 . . . . . . . . 6392 1
101 . 1 1 9 9 SER N N 15 107.37 0.05 . 1 . . . . . . . . 6392 1
102 . 1 1 9 9 SER H H 1 7.50 0.02 . 1 . . . . . . . . 6392 1
103 . 1 1 9 9 SER CA C 13 58.19 0.05 . 1 . . . . . . . . 6392 1
104 . 1 1 9 9 SER HA H 1 4.28 0.02 . 1 . . . . . . . . 6392 1
105 . 1 1 9 9 SER CB C 13 63.07 0.05 . 1 . . . . . . . . 6392 1
106 . 1 1 9 9 SER HB2 H 1 3.91 0.02 . 1 . . . . . . . . 6392 1
107 . 1 1 9 9 SER HB3 H 1 3.75 0.02 . 1 . . . . . . . . 6392 1
108 . 1 1 9 9 SER C C 13 174.71 0.05 . 1 . . . . . . . . 6392 1
109 . 1 1 10 10 GLY N N 15 109.70 0.05 . 1 . . . . . . . . 6392 1
110 . 1 1 10 10 GLY H H 1 7.44 0.02 . 1 . . . . . . . . 6392 1
111 . 1 1 10 10 GLY CA C 13 44.17 0.05 . 1 . . . . . . . . 6392 1
112 . 1 1 10 10 GLY HA2 H 1 4.53 0.02 . 1 . . . . . . . . 6392 1
113 . 1 1 10 10 GLY HA3 H 1 3.66 0.02 . 1 . . . . . . . . 6392 1
114 . 1 1 10 10 GLY C C 13 171.74 0.05 . 1 . . . . . . . . 6392 1
115 . 1 1 11 11 LYS N N 15 121.06 0.05 . 1 . . . . . . . . 6392 1
116 . 1 1 11 11 LYS H H 1 8.01 0.02 . 1 . . . . . . . . 6392 1
117 . 1 1 11 11 LYS CA C 13 57.35 0.05 . 1 . . . . . . . . 6392 1
118 . 1 1 11 11 LYS HA H 1 4.02 0.02 . 1 . . . . . . . . 6392 1
119 . 1 1 11 11 LYS CB C 13 33.80 0.05 . 1 . . . . . . . . 6392 1
120 . 1 1 11 11 LYS HB2 H 1 1.59 0.02 . 1 . . . . . . . . 6392 1
121 . 1 1 11 11 LYS HB3 H 1 1.35 0.02 . 1 . . . . . . . . 6392 1
122 . 1 1 11 11 LYS CG C 13 24.54 0.05 . 1 . . . . . . . . 6392 1
123 . 1 1 11 11 LYS HG2 H 1 1.12 0.02 . 1 . . . . . . . . 6392 1
124 . 1 1 11 11 LYS HG3 H 1 0.42 0.02 . 1 . . . . . . . . 6392 1
125 . 1 1 11 11 LYS CD C 13 29.70 0.05 . 1 . . . . . . . . 6392 1
126 . 1 1 11 11 LYS HD2 H 1 1.32 0.02 . 1 . . . . . . . . 6392 1
127 . 1 1 11 11 LYS HD3 H 1 1.20 0.02 . 1 . . . . . . . . 6392 1
128 . 1 1 11 11 LYS CE C 13 41.84 0.05 . 1 . . . . . . . . 6392 1
129 . 1 1 11 11 LYS HE2 H 1 2.36 0.02 . 1 . . . . . . . . 6392 1
130 . 1 1 11 11 LYS HE3 H 1 2.26 0.02 . 1 . . . . . . . . 6392 1
131 . 1 1 11 11 LYS C C 13 176.19 0.05 . 1 . . . . . . . . 6392 1
132 . 1 1 12 12 TYR N N 15 122.94 0.05 . 1 . . . . . . . . 6392 1
133 . 1 1 12 12 TYR H H 1 9.93 0.02 . 1 . . . . . . . . 6392 1
134 . 1 1 12 12 TYR CA C 13 54.58 0.05 . 1 . . . . . . . . 6392 1
135 . 1 1 12 12 TYR HA H 1 3.96 0.02 . 1 . . . . . . . . 6392 1
136 . 1 1 12 12 TYR CB C 13 32.54 0.05 . 1 . . . . . . . . 6392 1
137 . 1 1 12 12 TYR HB2 H 1 3.25 0.02 . 1 . . . . . . . . 6392 1
138 . 1 1 12 12 TYR HB3 H 1 3.08 0.02 . 1 . . . . . . . . 6392 1
139 . 1 1 12 12 TYR HD1 H 1 7.24 0.02 . 1 . . . . . . . . 6392 1
140 . 1 1 12 12 TYR HD2 H 1 7.24 0.02 . 1 . . . . . . . . 6392 1
141 . 1 1 12 12 TYR CE1 C 13 119.40 0.05 . 1 . . . . . . . . 6392 1
142 . 1 1 12 12 TYR HE1 H 1 7.36 0.02 . 1 . . . . . . . . 6392 1
143 . 1 1 12 12 TYR CE2 C 13 119.40 0.05 . 1 . . . . . . . . 6392 1
144 . 1 1 12 12 TYR HE2 H 1 7.36 0.02 . 1 . . . . . . . . 6392 1
145 . 1 1 12 12 TYR C C 13 174.20 0.05 . 1 . . . . . . . . 6392 1
146 . 1 1 13 13 LYS N N 15 114.49 0.05 . 1 . . . . . . . . 6392 1
147 . 1 1 13 13 LYS H H 1 8.54 0.02 . 1 . . . . . . . . 6392 1
148 . 1 1 13 13 LYS CA C 13 54.98 0.05 . 1 . . . . . . . . 6392 1
149 . 1 1 13 13 LYS HA H 1 4.58 0.02 . 1 . . . . . . . . 6392 1
150 . 1 1 13 13 LYS CB C 13 35.06 0.05 . 1 . . . . . . . . 6392 1
151 . 1 1 13 13 LYS HB2 H 1 1.89 0.02 . 1 . . . . . . . . 6392 1
152 . 1 1 13 13 LYS HB3 H 1 1.48 0.02 . 1 . . . . . . . . 6392 1
153 . 1 1 13 13 LYS CG C 13 23.98 0.05 . 1 . . . . . . . . 6392 1
154 . 1 1 13 13 LYS HG2 H 1 1.04 0.02 . 1 . . . . . . . . 6392 1
155 . 1 1 13 13 LYS HG3 H 1 1.04 0.02 . 1 . . . . . . . . 6392 1
156 . 1 1 13 13 LYS CD C 13 28.33 0.05 . 1 . . . . . . . . 6392 1
157 . 1 1 13 13 LYS HD2 H 1 1.49 0.02 . 1 . . . . . . . . 6392 1
158 . 1 1 13 13 LYS HD3 H 1 1.30 0.02 . 1 . . . . . . . . 6392 1
159 . 1 1 13 13 LYS CE C 13 42.55 0.05 . 1 . . . . . . . . 6392 1
160 . 1 1 13 13 LYS HE2 H 1 2.84 0.02 . 1 . . . . . . . . 6392 1
161 . 1 1 13 13 LYS HE3 H 1 2.84 0.02 . 1 . . . . . . . . 6392 1
162 . 1 1 13 13 LYS C C 13 177.24 0.05 . 1 . . . . . . . . 6392 1
163 . 1 1 14 14 LEU N N 15 123.03 0.05 . 1 . . . . . . . . 6392 1
164 . 1 1 14 14 LEU H H 1 9.39 0.02 . 1 . . . . . . . . 6392 1
165 . 1 1 14 14 LEU CA C 13 54.95 0.05 . 1 . . . . . . . . 6392 1
166 . 1 1 14 14 LEU HA H 1 5.14 0.02 . 1 . . . . . . . . 6392 1
167 . 1 1 14 14 LEU CB C 13 43.65 0.05 . 1 . . . . . . . . 6392 1
168 . 1 1 14 14 LEU HB2 H 1 2.60 0.02 . 1 . . . . . . . . 6392 1
169 . 1 1 14 14 LEU HB3 H 1 1.40 0.02 . 1 . . . . . . . . 6392 1
170 . 1 1 14 14 LEU CG C 13 26.17 0.05 . 1 . . . . . . . . 6392 1
171 . 1 1 14 14 LEU HG H 1 1.98 0.02 . 1 . . . . . . . . 6392 1
172 . 1 1 14 14 LEU CD1 C 13 24.55 0.05 . 1 . . . . . . . . 6392 1
173 . 1 1 14 14 LEU HD11 H 1 0.79 0.02 . 1 . . . . . . . . 6392 1
174 . 1 1 14 14 LEU HD12 H 1 0.79 0.02 . 1 . . . . . . . . 6392 1
175 . 1 1 14 14 LEU HD13 H 1 0.79 0.02 . 1 . . . . . . . . 6392 1
176 . 1 1 14 14 LEU CD2 C 13 27.13 0.05 . 1 . . . . . . . . 6392 1
177 . 1 1 14 14 LEU HD21 H 1 0.81 0.02 . 1 . . . . . . . . 6392 1
178 . 1 1 14 14 LEU HD22 H 1 0.81 0.02 . 1 . . . . . . . . 6392 1
179 . 1 1 14 14 LEU HD23 H 1 0.81 0.02 . 1 . . . . . . . . 6392 1
180 . 1 1 14 14 LEU C C 13 178.60 0.05 . 1 . . . . . . . . 6392 1
181 . 1 1 15 15 THR N N 15 116.42 0.05 . 1 . . . . . . . . 6392 1
182 . 1 1 15 15 THR H H 1 8.87 0.02 . 1 . . . . . . . . 6392 1
183 . 1 1 15 15 THR CA C 13 61.87 0.05 . 1 . . . . . . . . 6392 1
184 . 1 1 15 15 THR HA H 1 5.49 0.02 . 1 . . . . . . . . 6392 1
185 . 1 1 15 15 THR CB C 13 71.06 0.05 . 1 . . . . . . . . 6392 1
186 . 1 1 15 15 THR HB H 1 4.84 0.02 . 1 . . . . . . . . 6392 1
187 . 1 1 15 15 THR CG2 C 13 22.06 0.05 . 1 . . . . . . . . 6392 1
188 . 1 1 15 15 THR HG21 H 1 1.36 0.02 . 1 . . . . . . . . 6392 1
189 . 1 1 15 15 THR HG22 H 1 1.36 0.02 . 1 . . . . . . . . 6392 1
190 . 1 1 15 15 THR HG23 H 1 1.36 0.02 . 1 . . . . . . . . 6392 1
191 . 1 1 15 15 THR C C 13 174.95 0.05 . 1 . . . . . . . . 6392 1
192 . 1 1 16 16 TYR N N 15 120.62 0.05 . 1 . . . . . . . . 6392 1
193 . 1 1 16 16 TYR H H 1 7.50 0.02 . 1 . . . . . . . . 6392 1
194 . 1 1 16 16 TYR CA C 13 61.63 0.05 . 1 . . . . . . . . 6392 1
195 . 1 1 16 16 TYR HA H 1 2.39 0.02 . 1 . . . . . . . . 6392 1
196 . 1 1 16 16 TYR CB C 13 36.99 0.05 . 1 . . . . . . . . 6392 1
197 . 1 1 16 16 TYR HB2 H 1 2.23 0.02 . 1 . . . . . . . . 6392 1
198 . 1 1 16 16 TYR HB3 H 1 0.89 0.02 . 1 . . . . . . . . 6392 1
199 . 1 1 16 16 TYR CD1 C 13 132.62 0.05 . 1 . . . . . . . . 6392 1
200 . 1 1 16 16 TYR HD1 H 1 6.75 0.02 . 1 . . . . . . . . 6392 1
201 . 1 1 16 16 TYR CD2 C 13 132.62 0.05 . 1 . . . . . . . . 6392 1
202 . 1 1 16 16 TYR HD2 H 1 6.75 0.02 . 1 . . . . . . . . 6392 1
203 . 1 1 16 16 TYR CE1 C 13 117.98 0.05 . 1 . . . . . . . . 6392 1
204 . 1 1 16 16 TYR HE1 H 1 6.79 0.02 . 1 . . . . . . . . 6392 1
205 . 1 1 16 16 TYR CE2 C 13 117.98 0.05 . 1 . . . . . . . . 6392 1
206 . 1 1 16 16 TYR HE2 H 1 6.79 0.02 . 1 . . . . . . . . 6392 1
207 . 1 1 16 16 TYR C C 13 176.16 0.05 . 1 . . . . . . . . 6392 1
208 . 1 1 17 17 ALA N N 15 118.15 0.05 . 1 . . . . . . . . 6392 1
209 . 1 1 17 17 ALA H H 1 8.57 0.02 . 1 . . . . . . . . 6392 1
210 . 1 1 17 17 ALA CA C 13 54.81 0.05 . 1 . . . . . . . . 6392 1
211 . 1 1 17 17 ALA HA H 1 3.52 0.02 . 1 . . . . . . . . 6392 1
212 . 1 1 17 17 ALA CB C 13 18.24 0.05 . 1 . . . . . . . . 6392 1
213 . 1 1 17 17 ALA HB1 H 1 1.28 0.02 . 1 . . . . . . . . 6392 1
214 . 1 1 17 17 ALA HB2 H 1 1.28 0.02 . 1 . . . . . . . . 6392 1
215 . 1 1 17 17 ALA HB3 H 1 1.28 0.02 . 1 . . . . . . . . 6392 1
216 . 1 1 17 17 ALA C C 13 181.78 0.05 . 1 . . . . . . . . 6392 1
217 . 1 1 18 18 GLU N N 15 117.77 0.05 . 1 . . . . . . . . 6392 1
218 . 1 1 18 18 GLU H H 1 7.36 0.02 . 1 . . . . . . . . 6392 1
219 . 1 1 18 18 GLU CA C 13 58.52 0.05 . 1 . . . . . . . . 6392 1
220 . 1 1 18 18 GLU HA H 1 3.88 0.02 . 1 . . . . . . . . 6392 1
221 . 1 1 18 18 GLU CB C 13 31.09 0.05 . 1 . . . . . . . . 6392 1
222 . 1 1 18 18 GLU HB2 H 1 2.17 0.02 . 1 . . . . . . . . 6392 1
223 . 1 1 18 18 GLU HB3 H 1 1.97 0.02 . 1 . . . . . . . . 6392 1
224 . 1 1 18 18 GLU CG C 13 37.34 0.05 . 1 . . . . . . . . 6392 1
225 . 1 1 18 18 GLU HG2 H 1 2.26 0.02 . 1 . . . . . . . . 6392 1
226 . 1 1 18 18 GLU HG3 H 1 2.18 0.02 . 1 . . . . . . . . 6392 1
227 . 1 1 18 18 GLU C C 13 178.79 0.05 . 1 . . . . . . . . 6392 1
228 . 1 1 19 19 ALA N N 15 124.54 0.05 . 1 . . . . . . . . 6392 1
229 . 1 1 19 19 ALA H H 1 8.74 0.02 . 1 . . . . . . . . 6392 1
230 . 1 1 19 19 ALA CA C 13 54.98 0.05 . 1 . . . . . . . . 6392 1
231 . 1 1 19 19 ALA HA H 1 3.87 0.02 . 1 . . . . . . . . 6392 1
232 . 1 1 19 19 ALA CB C 13 19.79 0.05 . 1 . . . . . . . . 6392 1
233 . 1 1 19 19 ALA HB1 H 1 1.52 0.02 . 1 . . . . . . . . 6392 1
234 . 1 1 19 19 ALA HB2 H 1 1.52 0.02 . 1 . . . . . . . . 6392 1
235 . 1 1 19 19 ALA HB3 H 1 1.52 0.02 . 1 . . . . . . . . 6392 1
236 . 1 1 19 19 ALA C C 13 177.50 0.05 . 1 . . . . . . . . 6392 1
237 . 1 1 20 20 LYS N N 15 117.83 0.05 . 1 . . . . . . . . 6392 1
238 . 1 1 20 20 LYS H H 1 8.20 0.02 . 1 . . . . . . . . 6392 1
239 . 1 1 20 20 LYS CA C 13 60.09 0.05 . 1 . . . . . . . . 6392 1
240 . 1 1 20 20 LYS HA H 1 3.44 0.02 . 1 . . . . . . . . 6392 1
241 . 1 1 20 20 LYS CB C 13 33.51 0.05 . 1 . . . . . . . . 6392 1
242 . 1 1 20 20 LYS HB2 H 1 1.46 0.02 . 1 . . . . . . . . 6392 1
243 . 1 1 20 20 LYS HB3 H 1 1.09 0.02 . 1 . . . . . . . . 6392 1
244 . 1 1 20 20 LYS CG C 13 24.59 0.05 . 1 . . . . . . . . 6392 1
245 . 1 1 20 20 LYS HG2 H 1 1.28 0.02 . 1 . . . . . . . . 6392 1
246 . 1 1 20 20 LYS HG3 H 1 1.14 0.02 . 1 . . . . . . . . 6392 1
247 . 1 1 20 20 LYS CD C 13 30.06 0.05 . 1 . . . . . . . . 6392 1
248 . 1 1 20 20 LYS HD2 H 1 1.47 0.02 . 1 . . . . . . . . 6392 1
249 . 1 1 20 20 LYS HD3 H 1 1.47 0.02 . 1 . . . . . . . . 6392 1
250 . 1 1 20 20 LYS CE C 13 42.28 0.05 . 1 . . . . . . . . 6392 1
251 . 1 1 20 20 LYS HE2 H 1 3.03 0.02 . 1 . . . . . . . . 6392 1
252 . 1 1 20 20 LYS HE3 H 1 2.90 0.02 . 1 . . . . . . . . 6392 1
253 . 1 1 20 20 LYS C C 13 178.20 0.05 . 1 . . . . . . . . 6392 1
254 . 1 1 21 21 ALA N N 15 117.63 0.05 . 1 . . . . . . . . 6392 1
255 . 1 1 21 21 ALA H H 1 7.42 0.02 . 1 . . . . . . . . 6392 1
256 . 1 1 21 21 ALA CA C 13 55.00 0.05 . 1 . . . . . . . . 6392 1
257 . 1 1 21 21 ALA HA H 1 4.05 0.02 . 1 . . . . . . . . 6392 1
258 . 1 1 21 21 ALA CB C 13 18.34 0.05 . 1 . . . . . . . . 6392 1
259 . 1 1 21 21 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 6392 1
260 . 1 1 21 21 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 6392 1
261 . 1 1 21 21 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 6392 1
262 . 1 1 21 21 ALA C C 13 180.82 0.05 . 1 . . . . . . . . 6392 1
263 . 1 1 22 22 VAL N N 15 120.41 0.05 . 1 . . . . . . . . 6392 1
264 . 1 1 22 22 VAL H H 1 8.28 0.02 . 1 . . . . . . . . 6392 1
265 . 1 1 22 22 VAL CA C 13 66.31 0.05 . 1 . . . . . . . . 6392 1
266 . 1 1 22 22 VAL HA H 1 3.89 0.02 . 1 . . . . . . . . 6392 1
267 . 1 1 22 22 VAL CB C 13 31.09 0.05 . 1 . . . . . . . . 6392 1
268 . 1 1 22 22 VAL HB H 1 2.11 0.02 . 1 . . . . . . . . 6392 1
269 . 1 1 22 22 VAL CG1 C 13 23.49 0.05 . 1 . . . . . . . . 6392 1
270 . 1 1 22 22 VAL HG11 H 1 1.01 0.02 . 1 . . . . . . . . 6392 1
271 . 1 1 22 22 VAL HG12 H 1 1.01 0.02 . 1 . . . . . . . . 6392 1
272 . 1 1 22 22 VAL HG13 H 1 1.01 0.02 . 1 . . . . . . . . 6392 1
273 . 1 1 22 22 VAL CG2 C 13 21.05 0.05 . 1 . . . . . . . . 6392 1
274 . 1 1 22 22 VAL HG21 H 1 0.86 0.02 . 1 . . . . . . . . 6392 1
275 . 1 1 22 22 VAL HG22 H 1 0.86 0.02 . 1 . . . . . . . . 6392 1
276 . 1 1 22 22 VAL HG23 H 1 0.86 0.02 . 1 . . . . . . . . 6392 1
277 . 1 1 22 22 VAL C C 13 178.15 0.05 . 1 . . . . . . . . 6392 1
278 . 1 1 23 23 CYS N N 15 116.48 0.05 . 1 . . . . . . . . 6392 1
279 . 1 1 23 23 CYS H H 1 7.82 0.02 . 1 . . . . . . . . 6392 1
280 . 1 1 23 23 CYS CA C 13 55.39 0.05 . 1 . . . . . . . . 6392 1
281 . 1 1 23 23 CYS HA H 1 4.35 0.02 . 1 . . . . . . . . 6392 1
282 . 1 1 23 23 CYS CB C 13 33.70 0.05 . 1 . . . . . . . . 6392 1
283 . 1 1 23 23 CYS HB2 H 1 2.59 0.02 . 1 . . . . . . . . 6392 1
284 . 1 1 23 23 CYS HB3 H 1 2.37 0.02 . 1 . . . . . . . . 6392 1
285 . 1 1 23 23 CYS C C 13 178.95 0.05 . 1 . . . . . . . . 6392 1
286 . 1 1 24 24 GLU N N 15 120.33 0.05 . 1 . . . . . . . . 6392 1
287 . 1 1 24 24 GLU H H 1 8.17 0.02 . 1 . . . . . . . . 6392 1
288 . 1 1 24 24 GLU CA C 13 58.53 0.05 . 1 . . . . . . . . 6392 1
289 . 1 1 24 24 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 6392 1
290 . 1 1 24 24 GLU CB C 13 28.97 0.05 . 1 . . . . . . . . 6392 1
291 . 1 1 24 24 GLU HB2 H 1 2.02 0.02 . 1 . . . . . . . . 6392 1
292 . 1 1 24 24 GLU HB3 H 1 1.94 0.02 . 1 . . . . . . . . 6392 1
293 . 1 1 24 24 GLU CG C 13 37.16 0.05 . 1 . . . . . . . . 6392 1
294 . 1 1 24 24 GLU HG2 H 1 2.60 0.02 . 1 . . . . . . . . 6392 1
295 . 1 1 24 24 GLU HG3 H 1 2.42 0.02 . 1 . . . . . . . . 6392 1
296 . 1 1 24 24 GLU C C 13 180.85 0.05 . 1 . . . . . . . . 6392 1
297 . 1 1 25 25 PHE N N 15 125.02 0.05 . 1 . . . . . . . . 6392 1
298 . 1 1 25 25 PHE H H 1 9.01 0.02 . 1 . . . . . . . . 6392 1
299 . 1 1 25 25 PHE CA C 13 60.90 0.05 . 1 . . . . . . . . 6392 1
300 . 1 1 25 25 PHE HA H 1 4.29 0.02 . 1 . . . . . . . . 6392 1
301 . 1 1 25 25 PHE CB C 13 39.02 0.05 . 1 . . . . . . . . 6392 1
302 . 1 1 25 25 PHE HB2 H 1 3.44 0.02 . 1 . . . . . . . . 6392 1
303 . 1 1 25 25 PHE HB3 H 1 3.22 0.02 . 1 . . . . . . . . 6392 1
304 . 1 1 25 25 PHE HD1 H 1 7.29 0.02 . 1 . . . . . . . . 6392 1
305 . 1 1 25 25 PHE HD2 H 1 7.29 0.02 . 1 . . . . . . . . 6392 1
306 . 1 1 25 25 PHE HE1 H 1 7.35 0.02 . 1 . . . . . . . . 6392 1
307 . 1 1 25 25 PHE HE2 H 1 7.35 0.02 . 1 . . . . . . . . 6392 1
308 . 1 1 25 25 PHE C C 13 177.80 0.05 . 1 . . . . . . . . 6392 1
309 . 1 1 26 26 GLU N N 15 114.59 0.05 . 1 . . . . . . . . 6392 1
310 . 1 1 26 26 GLU H H 1 7.40 0.02 . 1 . . . . . . . . 6392 1
311 . 1 1 26 26 GLU CA C 13 56.40 0.05 . 1 . . . . . . . . 6392 1
312 . 1 1 26 26 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 6392 1
313 . 1 1 26 26 GLU CB C 13 29.55 0.05 . 1 . . . . . . . . 6392 1
314 . 1 1 26 26 GLU HB2 H 1 2.35 0.02 . 1 . . . . . . . . 6392 1
315 . 1 1 26 26 GLU HB3 H 1 1.85 0.02 . 1 . . . . . . . . 6392 1
316 . 1 1 26 26 GLU CG C 13 37.23 0.05 . 1 . . . . . . . . 6392 1
317 . 1 1 26 26 GLU HG2 H 1 2.84 0.02 . 1 . . . . . . . . 6392 1
318 . 1 1 26 26 GLU HG3 H 1 2.28 0.02 . 1 . . . . . . . . 6392 1
319 . 1 1 26 26 GLU C C 13 175.86 0.05 . 1 . . . . . . . . 6392 1
320 . 1 1 27 27 GLY N N 15 106.50 0.05 . 1 . . . . . . . . 6392 1
321 . 1 1 27 27 GLY H H 1 7.74 0.02 . 1 . . . . . . . . 6392 1
322 . 1 1 27 27 GLY CA C 13 45.53 0.05 . 1 . . . . . . . . 6392 1
323 . 1 1 27 27 GLY HA2 H 1 4.24 0.02 . 1 . . . . . . . . 6392 1
324 . 1 1 27 27 GLY HA3 H 1 3.71 0.02 . 1 . . . . . . . . 6392 1
325 . 1 1 27 27 GLY C C 13 174.27 0.05 . 1 . . . . . . . . 6392 1
326 . 1 1 28 28 GLY N N 15 109.70 0.05 . 1 . . . . . . . . 6392 1
327 . 1 1 28 28 GLY H H 1 7.79 0.02 . 1 . . . . . . . . 6392 1
328 . 1 1 28 28 GLY CA C 13 43.89 0.05 . 1 . . . . . . . . 6392 1
329 . 1 1 28 28 GLY HA2 H 1 4.49 0.02 . 1 . . . . . . . . 6392 1
330 . 1 1 28 28 GLY HA3 H 1 3.95 0.02 . 1 . . . . . . . . 6392 1
331 . 1 1 28 28 GLY C C 13 172.07 0.05 . 1 . . . . . . . . 6392 1
332 . 1 1 29 29 HIS N N 15 116.56 0.05 . 1 . . . . . . . . 6392 1
333 . 1 1 29 29 HIS H H 1 8.42 0.02 . 1 . . . . . . . . 6392 1
334 . 1 1 29 29 HIS CA C 13 54.47 0.05 . 1 . . . . . . . . 6392 1
335 . 1 1 29 29 HIS HA H 1 4.88 0.02 . 1 . . . . . . . . 6392 1
336 . 1 1 29 29 HIS NE2 N 15 182.35 0.05 . 1 . . . . . . . . 6392 1
337 . 1 1 29 29 HIS CD2 C 13 121.37 0.05 . 1 . . . . . . . . 6392 1
338 . 1 1 29 29 HIS HD2 H 1 7.25 0.02 . 1 . . . . . . . . 6392 1
339 . 1 1 29 29 HIS ND1 N 15 189.33 0.05 . 1 . . . . . . . . 6392 1
340 . 1 1 29 29 HIS CE1 C 13 137.42 0.05 . 1 . . . . . . . . 6392 1
341 . 1 1 29 29 HIS HE1 H 1 8.28 0.02 . 1 . . . . . . . . 6392 1
342 . 1 1 29 29 HIS CB C 13 33.80 0.05 . 1 . . . . . . . . 6392 1
343 . 1 1 29 29 HIS HB2 H 1 3.58 0.02 . 1 . . . . . . . . 6392 1
344 . 1 1 29 29 HIS HB3 H 1 2.95 0.02 . 1 . . . . . . . . 6392 1
345 . 1 1 29 29 HIS C C 13 174.59 0.05 . 1 . . . . . . . . 6392 1
346 . 1 1 30 30 LEU N N 15 123.90 0.05 . 1 . . . . . . . . 6392 1
347 . 1 1 30 30 LEU H H 1 9.34 0.02 . 1 . . . . . . . . 6392 1
348 . 1 1 30 30 LEU CA C 13 56.84 0.05 . 1 . . . . . . . . 6392 1
349 . 1 1 30 30 LEU HA H 1 4.90 0.02 . 1 . . . . . . . . 6392 1
350 . 1 1 30 30 LEU CB C 13 42.78 0.05 . 1 . . . . . . . . 6392 1
351 . 1 1 30 30 LEU HB2 H 1 1.70 0.02 . 1 . . . . . . . . 6392 1
352 . 1 1 30 30 LEU HB3 H 1 1.42 0.02 . 1 . . . . . . . . 6392 1
353 . 1 1 30 30 LEU CG C 13 28.06 0.05 . 1 . . . . . . . . 6392 1
354 . 1 1 30 30 LEU HG H 1 1.50 0.02 . 1 . . . . . . . . 6392 1
355 . 1 1 30 30 LEU CD1 C 13 27.36 0.05 . 1 . . . . . . . . 6392 1
356 . 1 1 30 30 LEU HD11 H 1 0.79 0.02 . 1 . . . . . . . . 6392 1
357 . 1 1 30 30 LEU HD12 H 1 0.79 0.02 . 1 . . . . . . . . 6392 1
358 . 1 1 30 30 LEU HD13 H 1 0.79 0.02 . 1 . . . . . . . . 6392 1
359 . 1 1 30 30 LEU CD2 C 13 24.18 0.05 . 1 . . . . . . . . 6392 1
360 . 1 1 30 30 LEU HD21 H 1 0.87 0.02 . 1 . . . . . . . . 6392 1
361 . 1 1 30 30 LEU HD22 H 1 0.87 0.02 . 1 . . . . . . . . 6392 1
362 . 1 1 30 30 LEU HD23 H 1 0.87 0.02 . 1 . . . . . . . . 6392 1
363 . 1 1 30 30 LEU C C 13 178.32 0.05 . 1 . . . . . . . . 6392 1
364 . 1 1 31 31 ALA N N 15 126.73 0.05 . 1 . . . . . . . . 6392 1
365 . 1 1 31 31 ALA H H 1 9.35 0.02 . 1 . . . . . . . . 6392 1
366 . 1 1 31 31 ALA CA C 13 52.01 0.05 . 1 . . . . . . . . 6392 1
367 . 1 1 31 31 ALA HA H 1 4.40 0.02 . 1 . . . . . . . . 6392 1
368 . 1 1 31 31 ALA CB C 13 19.69 0.05 . 1 . . . . . . . . 6392 1
369 . 1 1 31 31 ALA HB1 H 1 1.23 0.02 . 1 . . . . . . . . 6392 1
370 . 1 1 31 31 ALA HB2 H 1 1.23 0.02 . 1 . . . . . . . . 6392 1
371 . 1 1 31 31 ALA HB3 H 1 1.23 0.02 . 1 . . . . . . . . 6392 1
372 . 1 1 31 31 ALA C C 13 177.24 0.05 . 1 . . . . . . . . 6392 1
373 . 1 1 32 32 THR N N 15 111.23 0.05 . 1 . . . . . . . . 6392 1
374 . 1 1 32 32 THR H H 1 8.58 0.02 . 1 . . . . . . . . 6392 1
375 . 1 1 32 32 THR CA C 13 59.98 0.05 . 1 . . . . . . . . 6392 1
376 . 1 1 32 32 THR HA H 1 4.54 0.02 . 1 . . . . . . . . 6392 1
377 . 1 1 32 32 THR CB C 13 71.29 0.05 . 1 . . . . . . . . 6392 1
378 . 1 1 32 32 THR HB H 1 4.71 0.02 . 1 . . . . . . . . 6392 1
379 . 1 1 32 32 THR HG1 H 1 5.48 0.02 . 1 . . . . . . . . 6392 1
380 . 1 1 32 32 THR CG2 C 13 22.06 0.05 . 1 . . . . . . . . 6392 1
381 . 1 1 32 32 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 6392 1
382 . 1 1 32 32 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 6392 1
383 . 1 1 32 32 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 6392 1
384 . 1 1 32 32 THR C C 13 175.20 0.05 . 1 . . . . . . . . 6392 1
385 . 1 1 33 33 TYR N N 15 122.01 0.05 . 1 . . . . . . . . 6392 1
386 . 1 1 33 33 TYR H H 1 8.70 0.02 . 1 . . . . . . . . 6392 1
387 . 1 1 33 33 TYR CA C 13 62.44 0.05 . 1 . . . . . . . . 6392 1
388 . 1 1 33 33 TYR HA H 1 3.86 0.02 . 1 . . . . . . . . 6392 1
389 . 1 1 33 33 TYR CB C 13 38.82 0.05 . 1 . . . . . . . . 6392 1
390 . 1 1 33 33 TYR HB2 H 1 3.02 0.02 . 1 . . . . . . . . 6392 1
391 . 1 1 33 33 TYR HB3 H 1 2.75 0.02 . 1 . . . . . . . . 6392 1
392 . 1 1 33 33 TYR CD1 C 13 132.50 0.05 . 1 . . . . . . . . 6392 1
393 . 1 1 33 33 TYR HD1 H 1 6.72 0.02 . 1 . . . . . . . . 6392 1
394 . 1 1 33 33 TYR CD2 C 13 132.50 0.05 . 1 . . . . . . . . 6392 1
395 . 1 1 33 33 TYR HD2 H 1 6.72 0.02 . 1 . . . . . . . . 6392 1
396 . 1 1 33 33 TYR CE1 C 13 118.11 0.05 . 1 . . . . . . . . 6392 1
397 . 1 1 33 33 TYR HE1 H 1 6.58 0.02 . 1 . . . . . . . . 6392 1
398 . 1 1 33 33 TYR CE2 C 13 118.11 0.05 . 1 . . . . . . . . 6392 1
399 . 1 1 33 33 TYR HE2 H 1 6.58 0.02 . 1 . . . . . . . . 6392 1
400 . 1 1 33 33 TYR C C 13 176.61 0.05 . 1 . . . . . . . . 6392 1
401 . 1 1 34 34 LYS N N 15 116.40 0.05 . 1 . . . . . . . . 6392 1
402 . 1 1 34 34 LYS H H 1 8.26 0.02 . 1 . . . . . . . . 6392 1
403 . 1 1 34 34 LYS CA C 13 59.93 0.05 . 1 . . . . . . . . 6392 1
404 . 1 1 34 34 LYS HA H 1 3.91 0.02 . 1 . . . . . . . . 6392 1
405 . 1 1 34 34 LYS CB C 13 32.82 0.05 . 1 . . . . . . . . 6392 1
406 . 1 1 34 34 LYS HB2 H 1 1.75 0.02 . 1 . . . . . . . . 6392 1
407 . 1 1 34 34 LYS HB3 H 1 1.67 0.02 . 1 . . . . . . . . 6392 1
408 . 1 1 34 34 LYS CG C 13 25.90 0.05 . 1 . . . . . . . . 6392 1
409 . 1 1 34 34 LYS HG2 H 1 1.59 0.02 . 1 . . . . . . . . 6392 1
410 . 1 1 34 34 LYS HG3 H 1 1.41 0.02 . 1 . . . . . . . . 6392 1
411 . 1 1 34 34 LYS CD C 13 29.46 0.05 . 1 . . . . . . . . 6392 1
412 . 1 1 34 34 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 6392 1
413 . 1 1 34 34 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 6392 1
414 . 1 1 34 34 LYS CE C 13 42.11 0.05 . 1 . . . . . . . . 6392 1
415 . 1 1 34 34 LYS HE2 H 1 2.95 0.02 . 1 . . . . . . . . 6392 1
416 . 1 1 34 34 LYS HE3 H 1 2.95 0.02 . 1 . . . . . . . . 6392 1
417 . 1 1 34 34 LYS C C 13 180.36 0.05 . 1 . . . . . . . . 6392 1
418 . 1 1 35 35 GLN N N 15 119.28 0.05 . 1 . . . . . . . . 6392 1
419 . 1 1 35 35 GLN H H 1 7.77 0.02 . 1 . . . . . . . . 6392 1
420 . 1 1 35 35 GLN CA C 13 58.53 0.05 . 1 . . . . . . . . 6392 1
421 . 1 1 35 35 GLN HA H 1 3.84 0.02 . 1 . . . . . . . . 6392 1
422 . 1 1 35 35 GLN CB C 13 26.95 0.05 . 1 . . . . . . . . 6392 1
423 . 1 1 35 35 GLN HB2 H 1 2.21 0.02 . 1 . . . . . . . . 6392 1
424 . 1 1 35 35 GLN HB3 H 1 1.42 0.02 . 1 . . . . . . . . 6392 1
425 . 1 1 35 35 GLN CG C 13 33.65 0.05 . 1 . . . . . . . . 6392 1
426 . 1 1 35 35 GLN HG2 H 1 2.02 0.02 . 1 . . . . . . . . 6392 1
427 . 1 1 35 35 GLN HG3 H 1 1.89 0.02 . 1 . . . . . . . . 6392 1
428 . 1 1 35 35 GLN CD C 13 178.45 0.05 . 1 . . . . . . . . 6392 1
429 . 1 1 35 35 GLN NE2 N 15 107.03 0.05 . 1 . . . . . . . . 6392 1
430 . 1 1 35 35 GLN HE21 H 1 6.70 0.02 . 1 . . . . . . . . 6392 1
431 . 1 1 35 35 GLN HE22 H 1 5.24 0.02 . 1 . . . . . . . . 6392 1
432 . 1 1 35 35 GLN C C 13 179.18 0.05 . 1 . . . . . . . . 6392 1
433 . 1 1 36 36 LEU N N 15 122.98 0.05 . 1 . . . . . . . . 6392 1
434 . 1 1 36 36 LEU H H 1 8.49 0.02 . 1 . . . . . . . . 6392 1
435 . 1 1 36 36 LEU CA C 13 58.29 0.05 . 1 . . . . . . . . 6392 1
436 . 1 1 36 36 LEU HA H 1 3.86 0.02 . 1 . . . . . . . . 6392 1
437 . 1 1 36 36 LEU CB C 13 41.91 0.05 . 1 . . . . . . . . 6392 1
438 . 1 1 36 36 LEU HB2 H 1 1.69 0.02 . 1 . . . . . . . . 6392 1
439 . 1 1 36 36 LEU HB3 H 1 1.14 0.02 . 1 . . . . . . . . 6392 1
440 . 1 1 36 36 LEU CG C 13 27.22 0.05 . 1 . . . . . . . . 6392 1
441 . 1 1 36 36 LEU HG H 1 1.20 0.02 . 1 . . . . . . . . 6392 1
442 . 1 1 36 36 LEU CD1 C 13 25.79 0.05 . 1 . . . . . . . . 6392 1
443 . 1 1 36 36 LEU HD11 H 1 0.29 0.02 . 1 . . . . . . . . 6392 1
444 . 1 1 36 36 LEU HD12 H 1 0.29 0.02 . 1 . . . . . . . . 6392 1
445 . 1 1 36 36 LEU HD13 H 1 0.29 0.02 . 1 . . . . . . . . 6392 1
446 . 1 1 36 36 LEU CD2 C 13 25.04 0.05 . 1 . . . . . . . . 6392 1
447 . 1 1 36 36 LEU HD21 H 1 0.57 0.02 . 1 . . . . . . . . 6392 1
448 . 1 1 36 36 LEU HD22 H 1 0.57 0.02 . 1 . . . . . . . . 6392 1
449 . 1 1 36 36 LEU HD23 H 1 0.57 0.02 . 1 . . . . . . . . 6392 1
450 . 1 1 36 36 LEU C C 13 178.04 0.05 . 1 . . . . . . . . 6392 1
451 . 1 1 37 37 GLU N N 15 120.53 0.05 . 1 . . . . . . . . 6392 1
452 . 1 1 37 37 GLU H H 1 8.53 0.02 . 1 . . . . . . . . 6392 1
453 . 1 1 37 37 GLU CA C 13 58.07 0.05 . 1 . . . . . . . . 6392 1
454 . 1 1 37 37 GLU HA H 1 4.24 0.02 . 1 . . . . . . . . 6392 1
455 . 1 1 37 37 GLU CB C 13 28.29 0.05 . 1 . . . . . . . . 6392 1
456 . 1 1 37 37 GLU HB2 H 1 1.80 0.02 . 1 . . . . . . . . 6392 1
457 . 1 1 37 37 GLU HB3 H 1 1.64 0.02 . 1 . . . . . . . . 6392 1
458 . 1 1 37 37 GLU CG C 13 34.81 0.05 . 1 . . . . . . . . 6392 1
459 . 1 1 37 37 GLU HG2 H 1 2.29 0.02 . 1 . . . . . . . . 6392 1
460 . 1 1 37 37 GLU HG3 H 1 2.00 0.02 . 1 . . . . . . . . 6392 1
461 . 1 1 37 37 GLU C C 13 178.25 0.05 . 1 . . . . . . . . 6392 1
462 . 1 1 38 38 ALA N N 15 121.26 0.05 . 1 . . . . . . . . 6392 1
463 . 1 1 38 38 ALA H H 1 7.83 0.02 . 1 . . . . . . . . 6392 1
464 . 1 1 38 38 ALA CA C 13 54.98 0.05 . 1 . . . . . . . . 6392 1
465 . 1 1 38 38 ALA HA H 1 4.01 0.02 . 1 . . . . . . . . 6392 1
466 . 1 1 38 38 ALA CB C 13 18.05 0.05 . 1 . . . . . . . . 6392 1
467 . 1 1 38 38 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 6392 1
468 . 1 1 38 38 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 6392 1
469 . 1 1 38 38 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 6392 1
470 . 1 1 38 38 ALA C C 13 180.68 0.05 . 1 . . . . . . . . 6392 1
471 . 1 1 39 39 ALA N N 15 120.15 0.05 . 1 . . . . . . . . 6392 1
472 . 1 1 39 39 ALA H H 1 7.60 0.02 . 1 . . . . . . . . 6392 1
473 . 1 1 39 39 ALA CA C 13 54.15 0.05 . 1 . . . . . . . . 6392 1
474 . 1 1 39 39 ALA HA H 1 4.15 0.02 . 1 . . . . . . . . 6392 1
475 . 1 1 39 39 ALA CB C 13 18.05 0.05 . 1 . . . . . . . . 6392 1
476 . 1 1 39 39 ALA HB1 H 1 1.31 0.02 . 1 . . . . . . . . 6392 1
477 . 1 1 39 39 ALA HB2 H 1 1.31 0.02 . 1 . . . . . . . . 6392 1
478 . 1 1 39 39 ALA HB3 H 1 1.31 0.02 . 1 . . . . . . . . 6392 1
479 . 1 1 39 39 ALA C C 13 180.40 0.05 . 1 . . . . . . . . 6392 1
480 . 1 1 40 40 ARG N N 15 124.53 0.05 . 1 . . . . . . . . 6392 1
481 . 1 1 40 40 ARG H H 1 8.87 0.02 . 1 . . . . . . . . 6392 1
482 . 1 1 40 40 ARG CA C 13 58.72 0.05 . 1 . . . . . . . . 6392 1
483 . 1 1 40 40 ARG HA H 1 4.60 0.02 . 1 . . . . . . . . 6392 1
484 . 1 1 40 40 ARG CB C 13 30.80 0.05 . 1 . . . . . . . . 6392 1
485 . 1 1 40 40 ARG HB2 H 1 2.09 0.02 . 1 . . . . . . . . 6392 1
486 . 1 1 40 40 ARG HB3 H 1 1.69 0.02 . 1 . . . . . . . . 6392 1
487 . 1 1 40 40 ARG CG C 13 26.78 0.05 . 1 . . . . . . . . 6392 1
488 . 1 1 40 40 ARG HG2 H 1 1.68 0.02 . 1 . . . . . . . . 6392 1
489 . 1 1 40 40 ARG HG3 H 1 1.42 0.02 . 1 . . . . . . . . 6392 1
490 . 1 1 40 40 ARG CD C 13 42.46 0.05 . 1 . . . . . . . . 6392 1
491 . 1 1 40 40 ARG HD2 H 1 3.44 0.02 . 1 . . . . . . . . 6392 1
492 . 1 1 40 40 ARG HD3 H 1 2.43 0.02 . 1 . . . . . . . . 6392 1
493 . 1 1 40 40 ARG NE N 15 83.16 0.05 . 1 . . . . . . . . 6392 1
494 . 1 1 40 40 ARG HE H 1 9.33 0.02 . 1 . . . . . . . . 6392 1
495 . 1 1 40 40 ARG C C 13 180.71 0.05 . 1 . . . . . . . . 6392 1
496 . 1 1 41 41 LYS N N 15 117.66 0.05 . 1 . . . . . . . . 6392 1
497 . 1 1 41 41 LYS H H 1 8.25 0.02 . 1 . . . . . . . . 6392 1
498 . 1 1 41 41 LYS CA C 13 59.49 0.05 . 1 . . . . . . . . 6392 1
499 . 1 1 41 41 LYS HA H 1 3.94 0.02 . 1 . . . . . . . . 6392 1
500 . 1 1 41 41 LYS CB C 13 32.83 0.05 . 1 . . . . . . . . 6392 1
501 . 1 1 41 41 LYS HB2 H 1 1.95 0.02 . 1 . . . . . . . . 6392 1
502 . 1 1 41 41 LYS HB3 H 1 1.88 0.02 . 1 . . . . . . . . 6392 1
503 . 1 1 41 41 LYS CG C 13 25.96 0.05 . 1 . . . . . . . . 6392 1
504 . 1 1 41 41 LYS HG2 H 1 1.73 0.02 . 1 . . . . . . . . 6392 1
505 . 1 1 41 41 LYS HG3 H 1 1.40 0.02 . 1 . . . . . . . . 6392 1
506 . 1 1 41 41 LYS CD C 13 29.37 0.05 . 1 . . . . . . . . 6392 1
507 . 1 1 41 41 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 6392 1
508 . 1 1 41 41 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 6392 1
509 . 1 1 41 41 LYS CE C 13 42.18 0.05 . 1 . . . . . . . . 6392 1
510 . 1 1 41 41 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 6392 1
511 . 1 1 41 41 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 6392 1
512 . 1 1 41 41 LYS C C 13 178.32 0.05 . 1 . . . . . . . . 6392 1
513 . 1 1 42 42 ILE N N 15 110.90 0.05 . 1 . . . . . . . . 6392 1
514 . 1 1 42 42 ILE H H 1 7.32 0.02 . 1 . . . . . . . . 6392 1
515 . 1 1 42 42 ILE CA C 13 60.84 0.05 . 1 . . . . . . . . 6392 1
516 . 1 1 42 42 ILE HA H 1 4.59 0.02 . 1 . . . . . . . . 6392 1
517 . 1 1 42 42 ILE CB C 13 37.95 0.05 . 1 . . . . . . . . 6392 1
518 . 1 1 42 42 ILE HB H 1 2.29 0.02 . 1 . . . . . . . . 6392 1
519 . 1 1 42 42 ILE CG2 C 13 18.67 0.05 . 1 . . . . . . . . 6392 1
520 . 1 1 42 42 ILE HG21 H 1 0.97 0.02 . 1 . . . . . . . . 6392 1
521 . 1 1 42 42 ILE HG22 H 1 0.97 0.02 . 1 . . . . . . . . 6392 1
522 . 1 1 42 42 ILE HG23 H 1 0.97 0.02 . 1 . . . . . . . . 6392 1
523 . 1 1 42 42 ILE CG1 C 13 27.29 0.05 . 1 . . . . . . . . 6392 1
524 . 1 1 42 42 ILE HG12 H 1 1.58 0.02 . 1 . . . . . . . . 6392 1
525 . 1 1 42 42 ILE HG13 H 1 1.41 0.02 . 1 . . . . . . . . 6392 1
526 . 1 1 42 42 ILE CD1 C 13 14.42 0.05 . 1 . . . . . . . . 6392 1
527 . 1 1 42 42 ILE HD11 H 1 0.94 0.02 . 1 . . . . . . . . 6392 1
528 . 1 1 42 42 ILE HD12 H 1 0.94 0.02 . 1 . . . . . . . . 6392 1
529 . 1 1 42 42 ILE HD13 H 1 0.94 0.02 . 1 . . . . . . . . 6392 1
530 . 1 1 42 42 ILE C C 13 176.73 0.05 . 1 . . . . . . . . 6392 1
531 . 1 1 43 43 GLY N N 15 108.28 0.05 . 1 . . . . . . . . 6392 1
532 . 1 1 43 43 GLY H H 1 7.84 0.02 . 1 . . . . . . . . 6392 1
533 . 1 1 43 43 GLY CA C 13 45.73 0.05 . 1 . . . . . . . . 6392 1
534 . 1 1 43 43 GLY HA2 H 1 4.59 0.02 . 1 . . . . . . . . 6392 1
535 . 1 1 43 43 GLY HA3 H 1 3.54 0.02 . 1 . . . . . . . . 6392 1
536 . 1 1 43 43 GLY C C 13 174.10 0.05 . 1 . . . . . . . . 6392 1
537 . 1 1 44 44 PHE N N 15 125.83 0.05 . 1 . . . . . . . . 6392 1
538 . 1 1 44 44 PHE H H 1 8.08 0.02 . 1 . . . . . . . . 6392 1
539 . 1 1 44 44 PHE CA C 13 59.33 0.05 . 1 . . . . . . . . 6392 1
540 . 1 1 44 44 PHE HA H 1 4.49 0.02 . 1 . . . . . . . . 6392 1
541 . 1 1 44 44 PHE CB C 13 40.18 0.05 . 1 . . . . . . . . 6392 1
542 . 1 1 44 44 PHE HB2 H 1 2.97 0.02 . 1 . . . . . . . . 6392 1
543 . 1 1 44 44 PHE HB3 H 1 2.41 0.02 . 1 . . . . . . . . 6392 1
544 . 1 1 44 44 PHE CD1 C 13 131.62 0.05 . 1 . . . . . . . . 6392 1
545 . 1 1 44 44 PHE HD1 H 1 7.12 0.02 . 1 . . . . . . . . 6392 1
546 . 1 1 44 44 PHE CD2 C 13 131.62 0.05 . 1 . . . . . . . . 6392 1
547 . 1 1 44 44 PHE HD2 H 1 7.12 0.02 . 1 . . . . . . . . 6392 1
548 . 1 1 44 44 PHE HE1 H 1 7.39 0.02 . 1 . . . . . . . . 6392 1
549 . 1 1 44 44 PHE HE2 H 1 7.39 0.02 . 1 . . . . . . . . 6392 1
550 . 1 1 44 44 PHE HZ H 1 7.23 0.02 . 1 . . . . . . . . 6392 1
551 . 1 1 44 44 PHE C C 13 171.20 0.05 . 1 . . . . . . . . 6392 1
552 . 1 1 45 45 HIS N N 15 127.03 0.05 . 1 . . . . . . . . 6392 1
553 . 1 1 45 45 HIS H H 1 7.28 0.02 . 1 . . . . . . . . 6392 1
554 . 1 1 45 45 HIS CA C 13 55.35 0.05 . 1 . . . . . . . . 6392 1
555 . 1 1 45 45 HIS HA H 1 4.65 0.02 . 1 . . . . . . . . 6392 1
556 . 1 1 45 45 HIS NE2 N 15 167.14 0.05 . 1 . . . . . . . . 6392 1
557 . 1 1 45 45 HIS HD2 H 1 6.79 0.02 . 1 . . . . . . . . 6392 1
558 . 1 1 45 45 HIS ND1 N 15 246.94 0.05 . 1 . . . . . . . . 6392 1
559 . 1 1 45 45 HIS CE1 C 13 139.16 0.05 . 1 . . . . . . . . 6392 1
560 . 1 1 45 45 HIS HE1 H 1 8.18 0.02 . 1 . . . . . . . . 6392 1
561 . 1 1 45 45 HIS CB C 13 34.67 0.05 . 1 . . . . . . . . 6392 1
562 . 1 1 45 45 HIS HB2 H 1 2.96 0.02 . 1 . . . . . . . . 6392 1
563 . 1 1 45 45 HIS HB3 H 1 2.68 0.02 . 1 . . . . . . . . 6392 1
564 . 1 1 45 45 HIS C C 13 175.85 0.05 . 1 . . . . . . . . 6392 1
565 . 1 1 46 46 VAL N N 15 126.35 0.05 . 1 . . . . . . . . 6392 1
566 . 1 1 46 46 VAL H H 1 8.06 0.02 . 1 . . . . . . . . 6392 1
567 . 1 1 46 46 VAL CA C 13 61.65 0.05 . 1 . . . . . . . . 6392 1
568 . 1 1 46 46 VAL HA H 1 3.69 0.02 . 1 . . . . . . . . 6392 1
569 . 1 1 46 46 VAL CB C 13 35.34 0.05 . 1 . . . . . . . . 6392 1
570 . 1 1 46 46 VAL HB H 1 2.21 0.02 . 1 . . . . . . . . 6392 1
571 . 1 1 46 46 VAL CG1 C 13 22.32 0.05 . 1 . . . . . . . . 6392 1
572 . 1 1 46 46 VAL HG11 H 1 0.29 0.02 . 1 . . . . . . . . 6392 1
573 . 1 1 46 46 VAL HG12 H 1 0.29 0.02 . 1 . . . . . . . . 6392 1
574 . 1 1 46 46 VAL HG13 H 1 0.29 0.02 . 1 . . . . . . . . 6392 1
575 . 1 1 46 46 VAL CG2 C 13 21.80 0.05 . 1 . . . . . . . . 6392 1
576 . 1 1 46 46 VAL HG21 H 1 0.27 0.02 . 1 . . . . . . . . 6392 1
577 . 1 1 46 46 VAL HG22 H 1 0.27 0.02 . 1 . . . . . . . . 6392 1
578 . 1 1 46 46 VAL HG23 H 1 0.27 0.02 . 1 . . . . . . . . 6392 1
579 . 1 1 46 46 VAL C C 13 174.20 0.05 . 1 . . . . . . . . 6392 1
580 . 1 1 47 47 CYS N N 15 124.40 0.05 . 1 . . . . . . . . 6392 1
581 . 1 1 47 47 CYS H H 1 8.41 0.02 . 1 . . . . . . . . 6392 1
582 . 1 1 47 47 CYS CA C 13 54.54 0.05 . 1 . . . . . . . . 6392 1
583 . 1 1 47 47 CYS HA H 1 4.29 0.02 . 1 . . . . . . . . 6392 1
584 . 1 1 47 47 CYS CB C 13 42.11 0.05 . 1 . . . . . . . . 6392 1
585 . 1 1 47 47 CYS HB2 H 1 3.29 0.02 . 1 . . . . . . . . 6392 1
586 . 1 1 47 47 CYS HB3 H 1 2.57 0.02 . 1 . . . . . . . . 6392 1
587 . 1 1 47 47 CYS C C 13 173.52 0.05 . 1 . . . . . . . . 6392 1
588 . 1 1 48 48 ALA N N 15 121.88 0.05 . 1 . . . . . . . . 6392 1
589 . 1 1 48 48 ALA H H 1 6.54 0.02 . 1 . . . . . . . . 6392 1
590 . 1 1 48 48 ALA CA C 13 51.65 0.05 . 1 . . . . . . . . 6392 1
591 . 1 1 48 48 ALA HA H 1 4.31 0.02 . 1 . . . . . . . . 6392 1
592 . 1 1 48 48 ALA CB C 13 20.18 0.05 . 1 . . . . . . . . 6392 1
593 . 1 1 48 48 ALA HB1 H 1 1.11 0.02 . 1 . . . . . . . . 6392 1
594 . 1 1 48 48 ALA HB2 H 1 1.11 0.02 . 1 . . . . . . . . 6392 1
595 . 1 1 48 48 ALA HB3 H 1 1.11 0.02 . 1 . . . . . . . . 6392 1
596 . 1 1 48 48 ALA C C 13 174.27 0.05 . 1 . . . . . . . . 6392 1
597 . 1 1 49 49 ALA N N 15 130.21 0.05 . 1 . . . . . . . . 6392 1
598 . 1 1 49 49 ALA H H 1 8.50 0.02 . 1 . . . . . . . . 6392 1
599 . 1 1 49 49 ALA CA C 13 52.92 0.05 . 1 . . . . . . . . 6392 1
600 . 1 1 49 49 ALA HA H 1 4.04 0.02 . 1 . . . . . . . . 6392 1
601 . 1 1 49 49 ALA CB C 13 18.82 0.05 . 1 . . . . . . . . 6392 1
602 . 1 1 49 49 ALA HB1 H 1 0.67 0.02 . 1 . . . . . . . . 6392 1
603 . 1 1 49 49 ALA HB2 H 1 0.67 0.02 . 1 . . . . . . . . 6392 1
604 . 1 1 49 49 ALA HB3 H 1 0.67 0.02 . 1 . . . . . . . . 6392 1
605 . 1 1 49 49 ALA C C 13 176.02 0.05 . 1 . . . . . . . . 6392 1
606 . 1 1 50 50 GLY N N 15 106.70 0.05 . 1 . . . . . . . . 6392 1
607 . 1 1 50 50 GLY H H 1 8.73 0.02 . 1 . . . . . . . . 6392 1
608 . 1 1 50 50 GLY CA C 13 43.81 0.05 . 1 . . . . . . . . 6392 1
609 . 1 1 50 50 GLY HA2 H 1 4.49 0.02 . 1 . . . . . . . . 6392 1
610 . 1 1 50 50 GLY HA3 H 1 3.37 0.02 . 1 . . . . . . . . 6392 1
611 . 1 1 50 50 GLY C C 13 171.11 0.05 . 1 . . . . . . . . 6392 1
612 . 1 1 51 51 TRP N N 15 121.17 0.05 . 1 . . . . . . . . 6392 1
613 . 1 1 51 51 TRP H H 1 8.64 0.02 . 1 . . . . . . . . 6392 1
614 . 1 1 51 51 TRP CA C 13 58.82 0.05 . 1 . . . . . . . . 6392 1
615 . 1 1 51 51 TRP HA H 1 4.95 0.02 . 1 . . . . . . . . 6392 1
616 . 1 1 51 51 TRP CB C 13 32.25 0.05 . 1 . . . . . . . . 6392 1
617 . 1 1 51 51 TRP HB2 H 1 3.51 0.02 . 1 . . . . . . . . 6392 1
618 . 1 1 51 51 TRP HB3 H 1 3.04 0.02 . 1 . . . . . . . . 6392 1
619 . 1 1 51 51 TRP CD1 C 13 129.73 0.05 . 1 . . . . . . . . 6392 1
620 . 1 1 51 51 TRP HD1 H 1 7.38 0.02 . 1 . . . . . . . . 6392 1
621 . 1 1 51 51 TRP NE1 N 15 131.19 0.05 . 1 . . . . . . . . 6392 1
622 . 1 1 51 51 TRP HE1 H 1 10.34 0.02 . 1 . . . . . . . . 6392 1
623 . 1 1 51 51 TRP CE3 C 13 122.93 0.05 . 1 . . . . . . . . 6392 1
624 . 1 1 51 51 TRP HE3 H 1 7.68 0.02 . 1 . . . . . . . . 6392 1
625 . 1 1 51 51 TRP CZ2 C 13 116.32 0.05 . 1 . . . . . . . . 6392 1
626 . 1 1 51 51 TRP HZ2 H 1 8.17 0.02 . 1 . . . . . . . . 6392 1
627 . 1 1 51 51 TRP CZ3 C 13 121.67 0.05 . 1 . . . . . . . . 6392 1
628 . 1 1 51 51 TRP HZ3 H 1 7.30 0.02 . 1 . . . . . . . . 6392 1
629 . 1 1 51 51 TRP HH2 H 1 7.47 0.02 . 1 . . . . . . . . 6392 1
630 . 1 1 51 51 TRP C C 13 174.34 0.05 . 1 . . . . . . . . 6392 1
631 . 1 1 52 52 MET N N 15 118.52 0.05 . 1 . . . . . . . . 6392 1
632 . 1 1 52 52 MET H H 1 9.14 0.02 . 1 . . . . . . . . 6392 1
633 . 1 1 52 52 MET CA C 13 54.46 0.05 . 1 . . . . . . . . 6392 1
634 . 1 1 52 52 MET HA H 1 4.97 0.02 . 1 . . . . . . . . 6392 1
635 . 1 1 52 52 MET CB C 13 39.40 0.05 . 1 . . . . . . . . 6392 1
636 . 1 1 52 52 MET HB2 H 1 2.65 0.02 . 1 . . . . . . . . 6392 1
637 . 1 1 52 52 MET HB3 H 1 2.01 0.02 . 1 . . . . . . . . 6392 1
638 . 1 1 52 52 MET CG C 13 32.66 0.05 . 1 . . . . . . . . 6392 1
639 . 1 1 52 52 MET HG2 H 1 2.65 0.02 . 1 . . . . . . . . 6392 1
640 . 1 1 52 52 MET HG3 H 1 2.42 0.02 . 1 . . . . . . . . 6392 1
641 . 1 1 52 52 MET CE C 13 17.23 0.05 . 1 . . . . . . . . 6392 1
642 . 1 1 52 52 MET HE1 H 1 1.63 0.02 . 1 . . . . . . . . 6392 1
643 . 1 1 52 52 MET HE2 H 1 1.63 0.02 . 1 . . . . . . . . 6392 1
644 . 1 1 52 52 MET HE3 H 1 1.63 0.02 . 1 . . . . . . . . 6392 1
645 . 1 1 52 52 MET C C 13 174.97 0.05 . 1 . . . . . . . . 6392 1
646 . 1 1 53 53 ALA N N 15 120.39 0.05 . 1 . . . . . . . . 6392 1
647 . 1 1 53 53 ALA H H 1 8.62 0.02 . 1 . . . . . . . . 6392 1
648 . 1 1 53 53 ALA CA C 13 53.87 0.05 . 1 . . . . . . . . 6392 1
649 . 1 1 53 53 ALA HA H 1 4.18 0.02 . 1 . . . . . . . . 6392 1
650 . 1 1 53 53 ALA CB C 13 19.60 0.05 . 1 . . . . . . . . 6392 1
651 . 1 1 53 53 ALA HB1 H 1 1.32 0.02 . 1 . . . . . . . . 6392 1
652 . 1 1 53 53 ALA HB2 H 1 1.32 0.02 . 1 . . . . . . . . 6392 1
653 . 1 1 53 53 ALA HB3 H 1 1.32 0.02 . 1 . . . . . . . . 6392 1
654 . 1 1 53 53 ALA C C 13 178.39 0.05 . 1 . . . . . . . . 6392 1
655 . 1 1 54 54 LYS N N 15 112.32 0.05 . 1 . . . . . . . . 6392 1
656 . 1 1 54 54 LYS H H 1 8.83 0.02 . 1 . . . . . . . . 6392 1
657 . 1 1 54 54 LYS CA C 13 57.72 0.05 . 1 . . . . . . . . 6392 1
658 . 1 1 54 54 LYS HA H 1 3.80 0.02 . 1 . . . . . . . . 6392 1
659 . 1 1 54 54 LYS CB C 13 29.93 0.05 . 1 . . . . . . . . 6392 1
660 . 1 1 54 54 LYS HB2 H 1 2.29 0.02 . 1 . . . . . . . . 6392 1
661 . 1 1 54 54 LYS HB3 H 1 2.00 0.02 . 1 . . . . . . . . 6392 1
662 . 1 1 54 54 LYS CG C 13 25.72 0.05 . 1 . . . . . . . . 6392 1
663 . 1 1 54 54 LYS HG2 H 1 1.46 0.02 . 1 . . . . . . . . 6392 1
664 . 1 1 54 54 LYS HG3 H 1 1.40 0.02 . 1 . . . . . . . . 6392 1
665 . 1 1 54 54 LYS CD C 13 29.12 0.05 . 1 . . . . . . . . 6392 1
666 . 1 1 54 54 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . 6392 1
667 . 1 1 54 54 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . 6392 1
668 . 1 1 54 54 LYS CE C 13 42.37 0.05 . 1 . . . . . . . . 6392 1
669 . 1 1 54 54 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 6392 1
670 . 1 1 54 54 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 6392 1
671 . 1 1 54 54 LYS C C 13 175.93 0.05 . 1 . . . . . . . . 6392 1
672 . 1 1 55 55 GLY N N 15 104.19 0.05 . 1 . . . . . . . . 6392 1
673 . 1 1 55 55 GLY H H 1 8.28 0.02 . 1 . . . . . . . . 6392 1
674 . 1 1 55 55 GLY CA C 13 45.99 0.05 . 1 . . . . . . . . 6392 1
675 . 1 1 55 55 GLY HA2 H 1 3.96 0.02 . 1 . . . . . . . . 6392 1
676 . 1 1 55 55 GLY HA3 H 1 3.72 0.02 . 1 . . . . . . . . 6392 1
677 . 1 1 55 55 GLY C C 13 173.85 0.05 . 1 . . . . . . . . 6392 1
678 . 1 1 56 56 ARG N N 15 122.17 0.05 . 1 . . . . . . . . 6392 1
679 . 1 1 56 56 ARG H H 1 6.85 0.02 . 1 . . . . . . . . 6392 1
680 . 1 1 56 56 ARG CA C 13 55.02 0.05 . 1 . . . . . . . . 6392 1
681 . 1 1 56 56 ARG HA H 1 4.84 0.02 . 1 . . . . . . . . 6392 1
682 . 1 1 56 56 ARG CB C 13 32.24 0.05 . 1 . . . . . . . . 6392 1
683 . 1 1 56 56 ARG HB2 H 1 1.74 0.02 . 1 . . . . . . . . 6392 1
684 . 1 1 56 56 ARG HB3 H 1 1.63 0.02 . 1 . . . . . . . . 6392 1
685 . 1 1 56 56 ARG CG C 13 28.21 0.05 . 1 . . . . . . . . 6392 1
686 . 1 1 56 56 ARG HG2 H 1 1.56 0.02 . 1 . . . . . . . . 6392 1
687 . 1 1 56 56 ARG HG3 H 1 1.46 0.02 . 1 . . . . . . . . 6392 1
688 . 1 1 56 56 ARG CD C 13 43.68 0.05 . 1 . . . . . . . . 6392 1
689 . 1 1 56 56 ARG HD2 H 1 3.20 0.02 . 1 . . . . . . . . 6392 1
690 . 1 1 56 56 ARG HD3 H 1 3.05 0.02 . 1 . . . . . . . . 6392 1
691 . 1 1 56 56 ARG NE N 15 82.59 0.05 . 1 . . . . . . . . 6392 1
692 . 1 1 56 56 ARG HE H 1 7.85 0.02 . 1 . . . . . . . . 6392 1
693 . 1 1 56 56 ARG C C 13 174.03 0.05 . 1 . . . . . . . . 6392 1
694 . 1 1 57 57 VAL N N 15 122.43 0.05 . 1 . . . . . . . . 6392 1
695 . 1 1 57 57 VAL H H 1 7.15 0.02 . 1 . . . . . . . . 6392 1
696 . 1 1 57 57 VAL CA C 13 60.05 0.05 . 1 . . . . . . . . 6392 1
697 . 1 1 57 57 VAL HA H 1 4.72 0.02 . 1 . . . . . . . . 6392 1
698 . 1 1 57 57 VAL CB C 13 35.54 0.05 . 1 . . . . . . . . 6392 1
699 . 1 1 57 57 VAL HB H 1 0.78 0.02 . 1 . . . . . . . . 6392 1
700 . 1 1 57 57 VAL CG1 C 13 24.03 0.05 . 1 . . . . . . . . 6392 1
701 . 1 1 57 57 VAL HG11 H 1 -0.40 0.02 . 1 . . . . . . . . 6392 1
702 . 1 1 57 57 VAL HG12 H 1 -0.40 0.02 . 1 . . . . . . . . 6392 1
703 . 1 1 57 57 VAL HG13 H 1 -0.40 0.02 . 1 . . . . . . . . 6392 1
704 . 1 1 57 57 VAL CG2 C 13 20.84 0.05 . 1 . . . . . . . . 6392 1
705 . 1 1 57 57 VAL HG21 H 1 -0.97 0.02 . 1 . . . . . . . . 6392 1
706 . 1 1 57 57 VAL HG22 H 1 -0.97 0.02 . 1 . . . . . . . . 6392 1
707 . 1 1 57 57 VAL HG23 H 1 -0.97 0.02 . 1 . . . . . . . . 6392 1
708 . 1 1 57 57 VAL C C 13 174.38 0.05 . 1 . . . . . . . . 6392 1
709 . 1 1 58 58 GLY N N 15 112.58 0.05 . 1 . . . . . . . . 6392 1
710 . 1 1 58 58 GLY H H 1 8.08 0.02 . 1 . . . . . . . . 6392 1
711 . 1 1 58 58 GLY CA C 13 46.22 0.05 . 1 . . . . . . . . 6392 1
712 . 1 1 58 58 GLY HA2 H 1 4.00 0.02 . 1 . . . . . . . . 6392 1
713 . 1 1 58 58 GLY HA3 H 1 3.92 0.02 . 1 . . . . . . . . 6392 1
714 . 1 1 58 58 GLY C C 13 171.60 0.05 . 1 . . . . . . . . 6392 1
715 . 1 1 59 59 TYR N N 15 111.82 0.05 . 1 . . . . . . . . 6392 1
716 . 1 1 59 59 TYR H H 1 7.88 0.02 . 1 . . . . . . . . 6392 1
717 . 1 1 59 59 TYR CA C 13 55.37 0.05 . 1 . . . . . . . . 6392 1
718 . 1 1 59 59 TYR HA H 1 4.69 0.02 . 1 . . . . . . . . 6392 1
719 . 1 1 59 59 TYR CB C 13 36.34 0.05 . 1 . . . . . . . . 6392 1
720 . 1 1 59 59 TYR HB2 H 1 3.46 0.02 . 1 . . . . . . . . 6392 1
721 . 1 1 59 59 TYR HB3 H 1 3.13 0.02 . 1 . . . . . . . . 6392 1
722 . 1 1 59 59 TYR CD1 C 13 133.78 0.05 . 1 . . . . . . . . 6392 1
723 . 1 1 59 59 TYR HD1 H 1 6.54 0.02 . 1 . . . . . . . . 6392 1
724 . 1 1 59 59 TYR CD2 C 13 133.78 0.05 . 1 . . . . . . . . 6392 1
725 . 1 1 59 59 TYR HD2 H 1 6.54 0.02 . 1 . . . . . . . . 6392 1
726 . 1 1 59 59 TYR CE1 C 13 117.65 0.05 . 1 . . . . . . . . 6392 1
727 . 1 1 59 59 TYR HE1 H 1 6.45 0.02 . 1 . . . . . . . . 6392 1
728 . 1 1 59 59 TYR CE2 C 13 117.65 0.05 . 1 . . . . . . . . 6392 1
729 . 1 1 59 59 TYR HE2 H 1 6.45 0.02 . 1 . . . . . . . . 6392 1
730 . 1 1 60 60 PRO CA C 13 61.85 0.05 . 1 . . . . . . . . 6392 1
731 . 1 1 60 60 PRO HA H 1 4.46 0.02 . 1 . . . . . . . . 6392 1
732 . 1 1 60 60 PRO CB C 13 33.46 0.05 . 1 . . . . . . . . 6392 1
733 . 1 1 60 60 PRO HB2 H 1 1.94 0.02 . 1 . . . . . . . . 6392 1
734 . 1 1 60 60 PRO HB3 H 1 1.78 0.02 . 1 . . . . . . . . 6392 1
735 . 1 1 61 61 ILE CA C 13 61.15 0.05 . 1 . . . . . . . . 6392 1
736 . 1 1 61 61 ILE HA H 1 4.20 0.02 . 1 . . . . . . . . 6392 1
737 . 1 1 61 61 ILE CB C 13 39.58 0.05 . 1 . . . . . . . . 6392 1
738 . 1 1 61 61 ILE HB H 1 2.04 0.02 . 1 . . . . . . . . 6392 1
739 . 1 1 61 61 ILE CG2 C 13 18.67 0.05 . 1 . . . . . . . . 6392 1
740 . 1 1 61 61 ILE HG21 H 1 0.86 0.02 . 1 . . . . . . . . 6392 1
741 . 1 1 61 61 ILE HG22 H 1 0.86 0.02 . 1 . . . . . . . . 6392 1
742 . 1 1 61 61 ILE HG23 H 1 0.86 0.02 . 1 . . . . . . . . 6392 1
743 . 1 1 61 61 ILE CG1 C 13 27.31 0.05 . 1 . . . . . . . . 6392 1
744 . 1 1 61 61 ILE HG12 H 1 1.30 0.02 . 1 . . . . . . . . 6392 1
745 . 1 1 61 61 ILE HG13 H 1 1.20 0.02 . 1 . . . . . . . . 6392 1
746 . 1 1 61 61 ILE CD1 C 13 12.54 0.05 . 1 . . . . . . . . 6392 1
747 . 1 1 61 61 ILE HD11 H 1 0.62 0.02 . 1 . . . . . . . . 6392 1
748 . 1 1 61 61 ILE HD12 H 1 0.62 0.02 . 1 . . . . . . . . 6392 1
749 . 1 1 61 61 ILE HD13 H 1 0.62 0.02 . 1 . . . . . . . . 6392 1
750 . 1 1 62 62 VAL H H 1 11.34 0.02 . 1 . . . . . . . . 6392 1
751 . 1 1 62 62 VAL CA C 13 64.60 0.05 . 1 . . . . . . . . 6392 1
752 . 1 1 62 62 VAL HA H 1 4.01 0.02 . 1 . . . . . . . . 6392 1
753 . 1 1 62 62 VAL CB C 13 33.91 0.05 . 1 . . . . . . . . 6392 1
754 . 1 1 62 62 VAL HB H 1 2.06 0.02 . 1 . . . . . . . . 6392 1
755 . 1 1 62 62 VAL CG1 C 13 22.97 0.05 . 1 . . . . . . . . 6392 1
756 . 1 1 62 62 VAL HG11 H 1 0.95 0.02 . 1 . . . . . . . . 6392 1
757 . 1 1 62 62 VAL HG12 H 1 0.95 0.02 . 1 . . . . . . . . 6392 1
758 . 1 1 62 62 VAL HG13 H 1 0.95 0.02 . 1 . . . . . . . . 6392 1
759 . 1 1 62 62 VAL CG2 C 13 21.44 0.05 . 1 . . . . . . . . 6392 1
760 . 1 1 62 62 VAL HG21 H 1 0.93 0.02 . 1 . . . . . . . . 6392 1
761 . 1 1 62 62 VAL HG22 H 1 0.93 0.02 . 1 . . . . . . . . 6392 1
762 . 1 1 62 62 VAL HG23 H 1 0.93 0.02 . 1 . . . . . . . . 6392 1
763 . 1 1 63 63 LYS N N 15 120.54 0.05 . 1 . . . . . . . . 6392 1
764 . 1 1 63 63 LYS H H 1 7.27 0.02 . 1 . . . . . . . . 6392 1
765 . 1 1 63 63 LYS CA C 13 52.75 0.05 . 1 . . . . . . . . 6392 1
766 . 1 1 63 63 LYS HA H 1 4.77 0.02 . 1 . . . . . . . . 6392 1
767 . 1 1 63 63 LYS CB C 13 33.90 0.05 . 1 . . . . . . . . 6392 1
768 . 1 1 63 63 LYS HB2 H 1 1.57 0.02 . 1 . . . . . . . . 6392 1
769 . 1 1 63 63 LYS HB3 H 1 1.43 0.02 . 1 . . . . . . . . 6392 1
770 . 1 1 63 63 LYS CG C 13 24.65 0.05 . 1 . . . . . . . . 6392 1
771 . 1 1 63 63 LYS HG2 H 1 1.20 0.02 . 1 . . . . . . . . 6392 1
772 . 1 1 63 63 LYS HG3 H 1 1.20 0.02 . 1 . . . . . . . . 6392 1
773 . 1 1 63 63 LYS HD2 H 1 1.46 0.02 . 1 . . . . . . . . 6392 1
774 . 1 1 63 63 LYS HD3 H 1 1.46 0.02 . 1 . . . . . . . . 6392 1
775 . 1 1 63 63 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 6392 1
776 . 1 1 63 63 LYS HE3 H 1 2.67 0.02 . 1 . . . . . . . . 6392 1
777 . 1 1 64 64 PRO CA C 13 62.39 0.05 . 1 . . . . . . . . 6392 1
778 . 1 1 64 64 PRO HA H 1 4.52 0.02 . 1 . . . . . . . . 6392 1
779 . 1 1 64 64 PRO CD C 13 50.67 0.05 . 1 . . . . . . . . 6392 1
780 . 1 1 64 64 PRO HD2 H 1 3.68 0.02 . 1 . . . . . . . . 6392 1
781 . 1 1 64 64 PRO HD3 H 1 3.65 0.02 . 1 . . . . . . . . 6392 1
782 . 1 1 64 64 PRO CB C 13 32.74 0.05 . 1 . . . . . . . . 6392 1
783 . 1 1 64 64 PRO HB2 H 1 2.01 0.02 . 1 . . . . . . . . 6392 1
784 . 1 1 64 64 PRO HB3 H 1 1.76 0.02 . 1 . . . . . . . . 6392 1
785 . 1 1 64 64 PRO CG C 13 26.92 0.05 . 1 . . . . . . . . 6392 1
786 . 1 1 64 64 PRO HG2 H 1 2.01 0.02 . 1 . . . . . . . . 6392 1
787 . 1 1 64 64 PRO HG3 H 1 1.95 0.02 . 1 . . . . . . . . 6392 1
788 . 1 1 65 65 GLY N N 15 107.86 0.05 . 1 . . . . . . . . 6392 1
789 . 1 1 65 65 GLY H H 1 8.37 0.02 . 1 . . . . . . . . 6392 1
790 . 1 1 65 65 GLY CA C 13 45.64 0.05 . 1 . . . . . . . . 6392 1
791 . 1 1 65 65 GLY HA2 H 1 4.07 0.02 . 1 . . . . . . . . 6392 1
792 . 1 1 65 65 GLY HA3 H 1 3.50 0.02 . 1 . . . . . . . . 6392 1
793 . 1 1 66 66 PRO CA C 13 64.50 0.05 . 1 . . . . . . . . 6392 1
794 . 1 1 66 66 PRO HA H 1 4.16 0.02 . 1 . . . . . . . . 6392 1
795 . 1 1 66 66 PRO CD C 13 49.80 0.05 . 1 . . . . . . . . 6392 1
796 . 1 1 66 66 PRO HD2 H 1 3.61 0.02 . 1 . . . . . . . . 6392 1
797 . 1 1 66 66 PRO HD3 H 1 3.55 0.02 . 1 . . . . . . . . 6392 1
798 . 1 1 66 66 PRO CB C 13 32.16 0.05 . 1 . . . . . . . . 6392 1
799 . 1 1 66 66 PRO HB2 H 1 2.26 0.02 . 1 . . . . . . . . 6392 1
800 . 1 1 66 66 PRO HB3 H 1 1.88 0.02 . 1 . . . . . . . . 6392 1
801 . 1 1 66 66 PRO CG C 13 27.30 0.05 . 1 . . . . . . . . 6392 1
802 . 1 1 66 66 PRO HG2 H 1 2.00 0.02 . 1 . . . . . . . . 6392 1
803 . 1 1 66 66 PRO HG3 H 1 2.00 0.02 . 1 . . . . . . . . 6392 1
804 . 1 1 66 66 PRO C C 13 177.92 0.05 . 1 . . . . . . . . 6392 1
805 . 1 1 67 67 ASN N N 15 115.08 0.05 . 1 . . . . . . . . 6392 1
806 . 1 1 67 67 ASN H H 1 8.56 0.02 . 1 . . . . . . . . 6392 1
807 . 1 1 67 67 ASN CA C 13 54.05 0.05 . 1 . . . . . . . . 6392 1
808 . 1 1 67 67 ASN HA H 1 4.60 0.02 . 1 . . . . . . . . 6392 1
809 . 1 1 67 67 ASN CB C 13 38.53 0.05 . 1 . . . . . . . . 6392 1
810 . 1 1 67 67 ASN HB2 H 1 2.89 0.02 . 1 . . . . . . . . 6392 1
811 . 1 1 67 67 ASN HB3 H 1 2.80 0.02 . 1 . . . . . . . . 6392 1
812 . 1 1 67 67 ASN CG C 13 175.68 0.05 . 1 . . . . . . . . 6392 1
813 . 1 1 67 67 ASN ND2 N 15 113.42 0.05 . 1 . . . . . . . . 6392 1
814 . 1 1 67 67 ASN HD21 H 1 7.39 0.02 . 1 . . . . . . . . 6392 1
815 . 1 1 67 67 ASN HD22 H 1 6.92 0.02 . 1 . . . . . . . . 6392 1
816 . 1 1 67 67 ASN C C 13 174.85 0.05 . 1 . . . . . . . . 6392 1
817 . 1 1 68 68 CYS N N 15 118.81 0.05 . 1 . . . . . . . . 6392 1
818 . 1 1 68 68 CYS H H 1 7.60 0.02 . 1 . . . . . . . . 6392 1
819 . 1 1 68 68 CYS CA C 13 56.29 0.05 . 1 . . . . . . . . 6392 1
820 . 1 1 68 68 CYS HA H 1 4.77 0.02 . 1 . . . . . . . . 6392 1
821 . 1 1 68 68 CYS CB C 13 45.08 0.05 . 1 . . . . . . . . 6392 1
822 . 1 1 68 68 CYS HB2 H 1 3.29 0.02 . 1 . . . . . . . . 6392 1
823 . 1 1 68 68 CYS HB3 H 1 2.90 0.02 . 1 . . . . . . . . 6392 1
824 . 1 1 68 68 CYS C C 13 175.83 0.05 . 1 . . . . . . . . 6392 1
825 . 1 1 69 69 GLY N N 15 111.63 0.05 . 1 . . . . . . . . 6392 1
826 . 1 1 69 69 GLY H H 1 8.53 0.02 . 1 . . . . . . . . 6392 1
827 . 1 1 69 69 GLY CA C 13 46.07 0.05 . 1 . . . . . . . . 6392 1
828 . 1 1 69 69 GLY HA2 H 1 4.07 0.02 . 1 . . . . . . . . 6392 1
829 . 1 1 69 69 GLY HA3 H 1 3.55 0.02 . 1 . . . . . . . . 6392 1
830 . 1 1 69 69 GLY C C 13 174.03 0.05 . 1 . . . . . . . . 6392 1
831 . 1 1 70 70 PHE N N 15 116.99 0.05 . 1 . . . . . . . . 6392 1
832 . 1 1 70 70 PHE H H 1 8.02 0.02 . 1 . . . . . . . . 6392 1
833 . 1 1 70 70 PHE CA C 13 58.48 0.05 . 1 . . . . . . . . 6392 1
834 . 1 1 70 70 PHE HA H 1 4.40 0.02 . 1 . . . . . . . . 6392 1
835 . 1 1 70 70 PHE CB C 13 37.95 0.05 . 1 . . . . . . . . 6392 1
836 . 1 1 70 70 PHE HB2 H 1 3.29 0.02 . 1 . . . . . . . . 6392 1
837 . 1 1 70 70 PHE HB3 H 1 3.00 0.02 . 1 . . . . . . . . 6392 1
838 . 1 1 70 70 PHE CD1 C 13 131.94 0.05 . 1 . . . . . . . . 6392 1
839 . 1 1 70 70 PHE HD1 H 1 7.24 0.02 . 1 . . . . . . . . 6392 1
840 . 1 1 70 70 PHE CD2 C 13 131.94 0.05 . 1 . . . . . . . . 6392 1
841 . 1 1 70 70 PHE HD2 H 1 7.24 0.02 . 1 . . . . . . . . 6392 1
842 . 1 1 70 70 PHE C C 13 175.91 0.05 . 1 . . . . . . . . 6392 1
843 . 1 1 71 71 GLY N N 15 107.97 0.05 . 1 . . . . . . . . 6392 1
844 . 1 1 71 71 GLY H H 1 8.23 0.02 . 1 . . . . . . . . 6392 1
845 . 1 1 71 71 GLY CA C 13 45.63 0.05 . 1 . . . . . . . . 6392 1
846 . 1 1 71 71 GLY HA2 H 1 4.12 0.02 . 1 . . . . . . . . 6392 1
847 . 1 1 71 71 GLY HA3 H 1 3.53 0.02 . 1 . . . . . . . . 6392 1
848 . 1 1 71 71 GLY C C 13 173.96 0.05 . 1 . . . . . . . . 6392 1
849 . 1 1 72 72 LYS N N 15 120.25 0.05 . 1 . . . . . . . . 6392 1
850 . 1 1 72 72 LYS H H 1 7.59 0.02 . 1 . . . . . . . . 6392 1
851 . 1 1 72 72 LYS CA C 13 55.41 0.05 . 1 . . . . . . . . 6392 1
852 . 1 1 72 72 LYS HA H 1 4.45 0.02 . 1 . . . . . . . . 6392 1
853 . 1 1 72 72 LYS CB C 13 34.19 0.05 . 1 . . . . . . . . 6392 1
854 . 1 1 72 72 LYS HB2 H 1 1.76 0.02 . 1 . . . . . . . . 6392 1
855 . 1 1 72 72 LYS HB3 H 1 1.76 0.02 . 1 . . . . . . . . 6392 1
856 . 1 1 72 72 LYS CG C 13 25.02 0.05 . 1 . . . . . . . . 6392 1
857 . 1 1 72 72 LYS HG2 H 1 1.41 0.02 . 1 . . . . . . . . 6392 1
858 . 1 1 72 72 LYS HG3 H 1 1.37 0.02 . 1 . . . . . . . . 6392 1
859 . 1 1 72 72 LYS CD C 13 28.95 0.05 . 1 . . . . . . . . 6392 1
860 . 1 1 72 72 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 6392 1
861 . 1 1 72 72 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 6392 1
862 . 1 1 72 72 LYS CE C 13 42.46 0.05 . 1 . . . . . . . . 6392 1
863 . 1 1 72 72 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 6392 1
864 . 1 1 72 72 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 6392 1
865 . 1 1 72 72 LYS C C 13 175.79 0.05 . 1 . . . . . . . . 6392 1
866 . 1 1 73 73 THR N N 15 110.26 0.05 . 1 . . . . . . . . 6392 1
867 . 1 1 73 73 THR H H 1 7.94 0.02 . 1 . . . . . . . . 6392 1
868 . 1 1 73 73 THR CA C 13 60.92 0.05 . 1 . . . . . . . . 6392 1
869 . 1 1 73 73 THR HA H 1 4.16 0.02 . 1 . . . . . . . . 6392 1
870 . 1 1 73 73 THR CB C 13 70.84 0.05 . 1 . . . . . . . . 6392 1
871 . 1 1 73 73 THR HB H 1 4.04 0.02 . 1 . . . . . . . . 6392 1
872 . 1 1 73 73 THR CG2 C 13 22.20 0.05 . 1 . . . . . . . . 6392 1
873 . 1 1 73 73 THR HG21 H 1 1.05 0.02 . 1 . . . . . . . . 6392 1
874 . 1 1 73 73 THR HG22 H 1 1.05 0.02 . 1 . . . . . . . . 6392 1
875 . 1 1 73 73 THR HG23 H 1 1.05 0.02 . 1 . . . . . . . . 6392 1
876 . 1 1 73 73 THR C C 13 173.66 0.05 . 1 . . . . . . . . 6392 1
877 . 1 1 74 74 GLY N N 15 108.81 0.05 . 1 . . . . . . . . 6392 1
878 . 1 1 74 74 GLY H H 1 8.00 0.02 . 1 . . . . . . . . 6392 1
879 . 1 1 74 74 GLY CA C 13 43.74 0.05 . 1 . . . . . . . . 6392 1
880 . 1 1 74 74 GLY HA2 H 1 4.42 0.02 . 1 . . . . . . . . 6392 1
881 . 1 1 74 74 GLY HA3 H 1 3.42 0.02 . 1 . . . . . . . . 6392 1
882 . 1 1 74 74 GLY C C 13 173.00 0.05 . 1 . . . . . . . . 6392 1
883 . 1 1 75 75 ILE N N 15 119.83 0.05 . 1 . . . . . . . . 6392 1
884 . 1 1 75 75 ILE H H 1 8.30 0.02 . 1 . . . . . . . . 6392 1
885 . 1 1 75 75 ILE CA C 13 60.16 0.05 . 1 . . . . . . . . 6392 1
886 . 1 1 75 75 ILE HA H 1 4.23 0.02 . 1 . . . . . . . . 6392 1
887 . 1 1 75 75 ILE CB C 13 36.89 0.05 . 1 . . . . . . . . 6392 1
888 . 1 1 75 75 ILE HB H 1 1.60 0.02 . 1 . . . . . . . . 6392 1
889 . 1 1 75 75 ILE CG2 C 13 16.74 0.05 . 1 . . . . . . . . 6392 1
890 . 1 1 75 75 ILE HG21 H 1 0.27 0.02 . 1 . . . . . . . . 6392 1
891 . 1 1 75 75 ILE HG22 H 1 0.27 0.02 . 1 . . . . . . . . 6392 1
892 . 1 1 75 75 ILE HG23 H 1 0.27 0.02 . 1 . . . . . . . . 6392 1
893 . 1 1 75 75 ILE CG1 C 13 28.13 0.05 . 1 . . . . . . . . 6392 1
894 . 1 1 75 75 ILE HG12 H 1 1.20 0.02 . 1 . . . . . . . . 6392 1
895 . 1 1 75 75 ILE HG13 H 1 0.65 0.02 . 1 . . . . . . . . 6392 1
896 . 1 1 75 75 ILE CD1 C 13 12.42 0.05 . 1 . . . . . . . . 6392 1
897 . 1 1 75 75 ILE HD11 H 1 0.13 0.02 . 1 . . . . . . . . 6392 1
898 . 1 1 75 75 ILE HD12 H 1 0.13 0.02 . 1 . . . . . . . . 6392 1
899 . 1 1 75 75 ILE HD13 H 1 0.13 0.02 . 1 . . . . . . . . 6392 1
900 . 1 1 75 75 ILE C C 13 176.51 0.05 . 1 . . . . . . . . 6392 1
901 . 1 1 76 76 ILE N N 15 133.32 0.05 . 1 . . . . . . . . 6392 1
902 . 1 1 76 76 ILE H H 1 8.67 0.02 . 1 . . . . . . . . 6392 1
903 . 1 1 76 76 ILE CA C 13 59.25 0.05 . 1 . . . . . . . . 6392 1
904 . 1 1 76 76 ILE HA H 1 3.69 0.02 . 1 . . . . . . . . 6392 1
905 . 1 1 76 76 ILE CB C 13 33.61 0.05 . 1 . . . . . . . . 6392 1
906 . 1 1 76 76 ILE HB H 1 0.50 0.02 . 1 . . . . . . . . 6392 1
907 . 1 1 76 76 ILE CG2 C 13 17.51 0.05 . 1 . . . . . . . . 6392 1
908 . 1 1 76 76 ILE HG21 H 1 0.54 0.02 . 1 . . . . . . . . 6392 1
909 . 1 1 76 76 ILE HG22 H 1 0.54 0.02 . 1 . . . . . . . . 6392 1
910 . 1 1 76 76 ILE HG23 H 1 0.54 0.02 . 1 . . . . . . . . 6392 1
911 . 1 1 76 76 ILE CG1 C 13 27.15 0.05 . 1 . . . . . . . . 6392 1
912 . 1 1 76 76 ILE HG12 H 1 0.96 0.02 . 1 . . . . . . . . 6392 1
913 . 1 1 76 76 ILE HG13 H 1 0.72 0.02 . 1 . . . . . . . . 6392 1
914 . 1 1 76 76 ILE CD1 C 13 9.38 0.05 . 1 . . . . . . . . 6392 1
915 . 1 1 76 76 ILE HD11 H 1 0.36 0.02 . 1 . . . . . . . . 6392 1
916 . 1 1 76 76 ILE HD12 H 1 0.36 0.02 . 1 . . . . . . . . 6392 1
917 . 1 1 76 76 ILE HD13 H 1 0.36 0.02 . 1 . . . . . . . . 6392 1
918 . 1 1 76 76 ILE C C 13 173.89 0.05 . 1 . . . . . . . . 6392 1
919 . 1 1 77 77 ASP N N 15 126.74 0.05 . 1 . . . . . . . . 6392 1
920 . 1 1 77 77 ASP H H 1 8.11 0.02 . 1 . . . . . . . . 6392 1
921 . 1 1 77 77 ASP CA C 13 53.16 0.05 . 1 . . . . . . . . 6392 1
922 . 1 1 77 77 ASP HA H 1 4.80 0.02 . 1 . . . . . . . . 6392 1
923 . 1 1 77 77 ASP CB C 13 44.04 0.05 . 1 . . . . . . . . 6392 1
924 . 1 1 77 77 ASP HB2 H 1 2.87 0.02 . 1 . . . . . . . . 6392 1
925 . 1 1 77 77 ASP HB3 H 1 2.48 0.02 . 1 . . . . . . . . 6392 1
926 . 1 1 77 77 ASP C C 13 176.80 0.05 . 1 . . . . . . . . 6392 1
927 . 1 1 78 78 TYR N N 15 126.57 0.05 . 1 . . . . . . . . 6392 1
928 . 1 1 78 78 TYR H H 1 9.41 0.02 . 1 . . . . . . . . 6392 1
929 . 1 1 78 78 TYR CA C 13 55.33 0.05 . 1 . . . . . . . . 6392 1
930 . 1 1 78 78 TYR HA H 1 4.68 0.02 . 1 . . . . . . . . 6392 1
931 . 1 1 78 78 TYR CB C 13 36.60 0.05 . 1 . . . . . . . . 6392 1
932 . 1 1 78 78 TYR HB2 H 1 3.00 0.02 . 1 . . . . . . . . 6392 1
933 . 1 1 78 78 TYR HB3 H 1 2.59 0.02 . 1 . . . . . . . . 6392 1
934 . 1 1 78 78 TYR HD1 H 1 6.94 0.02 . 1 . . . . . . . . 6392 1
935 . 1 1 78 78 TYR HD2 H 1 6.94 0.02 . 1 . . . . . . . . 6392 1
936 . 1 1 78 78 TYR HE1 H 1 6.61 0.02 . 1 . . . . . . . . 6392 1
937 . 1 1 78 78 TYR HE2 H 1 6.61 0.02 . 1 . . . . . . . . 6392 1
938 . 1 1 78 78 TYR C C 13 176.75 0.05 . 1 . . . . . . . . 6392 1
939 . 1 1 79 79 GLY N N 15 111.06 0.05 . 1 . . . . . . . . 6392 1
940 . 1 1 79 79 GLY H H 1 8.93 0.02 . 1 . . . . . . . . 6392 1
941 . 1 1 79 79 GLY CA C 13 44.53 0.05 . 1 . . . . . . . . 6392 1
942 . 1 1 79 79 GLY HA2 H 1 4.06 0.02 . 1 . . . . . . . . 6392 1
943 . 1 1 79 79 GLY HA3 H 1 3.71 0.02 . 1 . . . . . . . . 6392 1
944 . 1 1 79 79 GLY C C 13 172.42 0.05 . 1 . . . . . . . . 6392 1
945 . 1 1 80 80 ILE N N 15 117.59 0.05 . 1 . . . . . . . . 6392 1
946 . 1 1 80 80 ILE H H 1 8.21 0.02 . 1 . . . . . . . . 6392 1
947 . 1 1 80 80 ILE CA C 13 61.35 0.05 . 1 . . . . . . . . 6392 1
948 . 1 1 80 80 ILE HA H 1 3.93 0.02 . 1 . . . . . . . . 6392 1
949 . 1 1 80 80 ILE CB C 13 36.60 0.05 . 1 . . . . . . . . 6392 1
950 . 1 1 80 80 ILE HB H 1 1.77 0.02 . 1 . . . . . . . . 6392 1
951 . 1 1 80 80 ILE CG2 C 13 17.53 0.05 . 1 . . . . . . . . 6392 1
952 . 1 1 80 80 ILE HG21 H 1 0.82 0.02 . 1 . . . . . . . . 6392 1
953 . 1 1 80 80 ILE HG22 H 1 0.82 0.02 . 1 . . . . . . . . 6392 1
954 . 1 1 80 80 ILE HG23 H 1 0.82 0.02 . 1 . . . . . . . . 6392 1
955 . 1 1 80 80 ILE CG1 C 13 27.60 0.05 . 1 . . . . . . . . 6392 1
956 . 1 1 80 80 ILE HG12 H 1 1.51 0.02 . 1 . . . . . . . . 6392 1
957 . 1 1 80 80 ILE HG13 H 1 1.15 0.02 . 1 . . . . . . . . 6392 1
958 . 1 1 80 80 ILE CD1 C 13 11.80 0.05 . 1 . . . . . . . . 6392 1
959 . 1 1 80 80 ILE HD11 H 1 0.78 0.02 . 1 . . . . . . . . 6392 1
960 . 1 1 80 80 ILE HD12 H 1 0.78 0.02 . 1 . . . . . . . . 6392 1
961 . 1 1 80 80 ILE HD13 H 1 0.78 0.02 . 1 . . . . . . . . 6392 1
962 . 1 1 80 80 ILE C C 13 177.69 0.05 . 1 . . . . . . . . 6392 1
963 . 1 1 81 81 ARG N N 15 128.47 0.05 . 1 . . . . . . . . 6392 1
964 . 1 1 81 81 ARG H H 1 8.43 0.02 . 1 . . . . . . . . 6392 1
965 . 1 1 81 81 ARG CA C 13 52.92 0.05 . 1 . . . . . . . . 6392 1
966 . 1 1 81 81 ARG HA H 1 4.37 0.02 . 1 . . . . . . . . 6392 1
967 . 1 1 81 81 ARG CB C 13 30.10 0.05 . 1 . . . . . . . . 6392 1
968 . 1 1 81 81 ARG HB2 H 1 2.13 0.02 . 1 . . . . . . . . 6392 1
969 . 1 1 81 81 ARG HB3 H 1 2.13 0.02 . 1 . . . . . . . . 6392 1
970 . 1 1 81 81 ARG HG2 H 1 1.86 0.02 . 1 . . . . . . . . 6392 1
971 . 1 1 81 81 ARG HG3 H 1 1.51 0.02 . 1 . . . . . . . . 6392 1
972 . 1 1 81 81 ARG CD C 13 40.61 0.05 . 1 . . . . . . . . 6392 1
973 . 1 1 81 81 ARG HD2 H 1 2.72 0.02 . 1 . . . . . . . . 6392 1
974 . 1 1 81 81 ARG HD3 H 1 2.72 0.02 . 1 . . . . . . . . 6392 1
975 . 1 1 81 81 ARG NE N 15 84.42 0.05 . 1 . . . . . . . . 6392 1
976 . 1 1 81 81 ARG HE H 1 9.92 0.02 . 1 . . . . . . . . 6392 1
977 . 1 1 81 81 ARG C C 13 176.51 0.05 . 1 . . . . . . . . 6392 1
978 . 1 1 82 82 LEU N N 15 124.62 0.05 . 1 . . . . . . . . 6392 1
979 . 1 1 82 82 LEU H H 1 8.20 0.02 . 1 . . . . . . . . 6392 1
980 . 1 1 82 82 LEU CA C 13 56.90 0.05 . 1 . . . . . . . . 6392 1
981 . 1 1 82 82 LEU HA H 1 4.16 0.02 . 1 . . . . . . . . 6392 1
982 . 1 1 82 82 LEU CB C 13 42.30 0.05 . 1 . . . . . . . . 6392 1
983 . 1 1 82 82 LEU HB2 H 1 1.66 0.02 . 1 . . . . . . . . 6392 1
984 . 1 1 82 82 LEU HB3 H 1 1.57 0.02 . 1 . . . . . . . . 6392 1
985 . 1 1 82 82 LEU CG C 13 27.39 0.05 . 1 . . . . . . . . 6392 1
986 . 1 1 82 82 LEU HG H 1 1.69 0.02 . 1 . . . . . . . . 6392 1
987 . 1 1 82 82 LEU CD1 C 13 24.74 0.05 . 1 . . . . . . . . 6392 1
988 . 1 1 82 82 LEU HD11 H 1 0.91 0.02 . 1 . . . . . . . . 6392 1
989 . 1 1 82 82 LEU HD12 H 1 0.91 0.02 . 1 . . . . . . . . 6392 1
990 . 1 1 82 82 LEU HD13 H 1 0.91 0.02 . 1 . . . . . . . . 6392 1
991 . 1 1 82 82 LEU CD2 C 13 23.57 0.05 . 1 . . . . . . . . 6392 1
992 . 1 1 82 82 LEU HD21 H 1 0.82 0.02 . 1 . . . . . . . . 6392 1
993 . 1 1 82 82 LEU HD22 H 1 0.82 0.02 . 1 . . . . . . . . 6392 1
994 . 1 1 82 82 LEU HD23 H 1 0.82 0.02 . 1 . . . . . . . . 6392 1
995 . 1 1 82 82 LEU C C 13 177.69 0.05 . 1 . . . . . . . . 6392 1
996 . 1 1 83 83 ASN N N 15 115.82 0.05 . 1 . . . . . . . . 6392 1
997 . 1 1 83 83 ASN H H 1 8.65 0.02 . 1 . . . . . . . . 6392 1
998 . 1 1 83 83 ASN CA C 13 51.77 0.05 . 1 . . . . . . . . 6392 1
999 . 1 1 83 83 ASN HA H 1 4.90 0.02 . 1 . . . . . . . . 6392 1
1000 . 1 1 83 83 ASN CB C 13 37.66 0.05 . 1 . . . . . . . . 6392 1
1001 . 1 1 83 83 ASN HB2 H 1 3.27 0.02 . 1 . . . . . . . . 6392 1
1002 . 1 1 83 83 ASN HB3 H 1 2.82 0.02 . 1 . . . . . . . . 6392 1
1003 . 1 1 83 83 ASN CG C 13 178.15 0.05 . 1 . . . . . . . . 6392 1
1004 . 1 1 83 83 ASN ND2 N 15 111.89 0.05 . 1 . . . . . . . . 6392 1
1005 . 1 1 83 83 ASN HD21 H 1 7.93 0.02 . 1 . . . . . . . . 6392 1
1006 . 1 1 83 83 ASN HD22 H 1 7.06 0.02 . 1 . . . . . . . . 6392 1
1007 . 1 1 83 83 ASN C C 13 175.91 0.05 . 1 . . . . . . . . 6392 1
1008 . 1 1 84 84 ARG N N 15 121.46 0.05 . 1 . . . . . . . . 6392 1
1009 . 1 1 84 84 ARG H H 1 8.63 0.02 . 1 . . . . . . . . 6392 1
1010 . 1 1 84 84 ARG CA C 13 56.72 0.05 . 1 . . . . . . . . 6392 1
1011 . 1 1 84 84 ARG HA H 1 4.63 0.02 . 1 . . . . . . . . 6392 1
1012 . 1 1 84 84 ARG CB C 13 29.45 0.05 . 1 . . . . . . . . 6392 1
1013 . 1 1 84 84 ARG HB2 H 1 2.01 0.02 . 1 . . . . . . . . 6392 1
1014 . 1 1 84 84 ARG HB3 H 1 1.85 0.02 . 1 . . . . . . . . 6392 1
1015 . 1 1 84 84 ARG CG C 13 27.98 0.05 . 1 . . . . . . . . 6392 1
1016 . 1 1 84 84 ARG HG2 H 1 1.82 0.02 . 1 . . . . . . . . 6392 1
1017 . 1 1 84 84 ARG HG3 H 1 1.46 0.02 . 1 . . . . . . . . 6392 1
1018 . 1 1 84 84 ARG CD C 13 43.00 0.05 . 1 . . . . . . . . 6392 1
1019 . 1 1 84 84 ARG HD2 H 1 2.89 0.02 . 1 . . . . . . . . 6392 1
1020 . 1 1 84 84 ARG HD3 H 1 2.68 0.02 . 1 . . . . . . . . 6392 1
1021 . 1 1 84 84 ARG NE N 15 85.05 0.05 . 1 . . . . . . . . 6392 1
1022 . 1 1 84 84 ARG HE H 1 7.40 0.02 . 1 . . . . . . . . 6392 1
1023 . 1 1 84 84 ARG C C 13 177.38 0.05 . 1 . . . . . . . . 6392 1
1024 . 1 1 85 85 SER N N 15 116.59 0.05 . 1 . . . . . . . . 6392 1
1025 . 1 1 85 85 SER H H 1 8.61 0.02 . 1 . . . . . . . . 6392 1
1026 . 1 1 85 85 SER CA C 13 58.94 0.05 . 1 . . . . . . . . 6392 1
1027 . 1 1 85 85 SER HA H 1 4.64 0.02 . 1 . . . . . . . . 6392 1
1028 . 1 1 85 85 SER CB C 13 63.17 0.05 . 1 . . . . . . . . 6392 1
1029 . 1 1 85 85 SER HB2 H 1 4.07 0.02 . 1 . . . . . . . . 6392 1
1030 . 1 1 85 85 SER HB3 H 1 4.07 0.02 . 1 . . . . . . . . 6392 1
1031 . 1 1 85 85 SER C C 13 175.34 0.05 . 1 . . . . . . . . 6392 1
1032 . 1 1 86 86 GLU N N 15 121.10 0.05 . 1 . . . . . . . . 6392 1
1033 . 1 1 86 86 GLU H H 1 7.28 0.02 . 1 . . . . . . . . 6392 1
1034 . 1 1 86 86 GLU CA C 13 57.44 0.05 . 1 . . . . . . . . 6392 1
1035 . 1 1 86 86 GLU HA H 1 3.86 0.02 . 1 . . . . . . . . 6392 1
1036 . 1 1 86 86 GLU CB C 13 31.48 0.05 . 1 . . . . . . . . 6392 1
1037 . 1 1 86 86 GLU HB2 H 1 2.27 0.02 . 1 . . . . . . . . 6392 1
1038 . 1 1 86 86 GLU HB3 H 1 1.75 0.02 . 1 . . . . . . . . 6392 1
1039 . 1 1 86 86 GLU CG C 13 36.95 0.05 . 1 . . . . . . . . 6392 1
1040 . 1 1 86 86 GLU HG2 H 1 2.80 0.02 . 1 . . . . . . . . 6392 1
1041 . 1 1 86 86 GLU HG3 H 1 2.29 0.02 . 1 . . . . . . . . 6392 1
1042 . 1 1 86 86 GLU C C 13 174.66 0.05 . 1 . . . . . . . . 6392 1
1043 . 1 1 87 87 ARG N N 15 118.11 0.05 . 1 . . . . . . . . 6392 1
1044 . 1 1 87 87 ARG H H 1 7.35 0.02 . 1 . . . . . . . . 6392 1
1045 . 1 1 87 87 ARG CA C 13 54.54 0.05 . 1 . . . . . . . . 6392 1
1046 . 1 1 87 87 ARG HA H 1 4.75 0.02 . 1 . . . . . . . . 6392 1
1047 . 1 1 87 87 ARG CB C 13 31.77 0.05 . 1 . . . . . . . . 6392 1
1048 . 1 1 87 87 ARG HB2 H 1 1.29 0.02 . 1 . . . . . . . . 6392 1
1049 . 1 1 87 87 ARG HB3 H 1 1.15 0.02 . 1 . . . . . . . . 6392 1
1050 . 1 1 87 87 ARG CG C 13 28.60 0.05 . 1 . . . . . . . . 6392 1
1051 . 1 1 87 87 ARG CD C 13 43.74 0.05 . 1 . . . . . . . . 6392 1
1052 . 1 1 87 87 ARG HD2 H 1 3.07 0.02 . 1 . . . . . . . . 6392 1
1053 . 1 1 87 87 ARG HD3 H 1 3.00 0.02 . 1 . . . . . . . . 6392 1
1054 . 1 1 87 87 ARG NE N 15 85.68 0.05 . 1 . . . . . . . . 6392 1
1055 . 1 1 87 87 ARG HE H 1 7.21 0.02 . 1 . . . . . . . . 6392 1
1056 . 1 1 87 87 ARG C C 13 173.85 0.05 . 1 . . . . . . . . 6392 1
1057 . 1 1 88 88 TRP N N 15 121.77 0.05 . 1 . . . . . . . . 6392 1
1058 . 1 1 88 88 TRP H H 1 8.84 0.02 . 1 . . . . . . . . 6392 1
1059 . 1 1 88 88 TRP CA C 13 54.70 0.05 . 1 . . . . . . . . 6392 1
1060 . 1 1 88 88 TRP HA H 1 4.78 0.02 . 1 . . . . . . . . 6392 1
1061 . 1 1 88 88 TRP CB C 13 33.51 0.05 . 1 . . . . . . . . 6392 1
1062 . 1 1 88 88 TRP HB2 H 1 2.95 0.02 . 1 . . . . . . . . 6392 1
1063 . 1 1 88 88 TRP HB3 H 1 2.26 0.02 . 1 . . . . . . . . 6392 1
1064 . 1 1 88 88 TRP CD1 C 13 127.70 0.05 . 1 . . . . . . . . 6392 1
1065 . 1 1 88 88 TRP HD1 H 1 5.65 0.02 . 1 . . . . . . . . 6392 1
1066 . 1 1 88 88 TRP NE1 N 15 129.02 0.05 . 1 . . . . . . . . 6392 1
1067 . 1 1 88 88 TRP HE1 H 1 10.30 0.02 . 1 . . . . . . . . 6392 1
1068 . 1 1 88 88 TRP CE3 C 13 121.64 0.05 . 1 . . . . . . . . 6392 1
1069 . 1 1 88 88 TRP HE3 H 1 6.23 0.02 . 1 . . . . . . . . 6392 1
1070 . 1 1 88 88 TRP CZ2 C 13 112.73 0.05 . 1 . . . . . . . . 6392 1
1071 . 1 1 88 88 TRP HZ2 H 1 7.02 0.02 . 1 . . . . . . . . 6392 1
1072 . 1 1 88 88 TRP CZ3 C 13 120.74 0.05 . 1 . . . . . . . . 6392 1
1073 . 1 1 88 88 TRP HZ3 H 1 6.55 0.02 . 1 . . . . . . . . 6392 1
1074 . 1 1 88 88 TRP HH2 H 1 6.91 0.02 . 1 . . . . . . . . 6392 1
1075 . 1 1 88 88 TRP C C 13 175.44 0.05 . 1 . . . . . . . . 6392 1
1076 . 1 1 89 89 ASP N N 15 119.47 0.05 . 1 . . . . . . . . 6392 1
1077 . 1 1 89 89 ASP H H 1 8.29 0.02 . 1 . . . . . . . . 6392 1
1078 . 1 1 89 89 ASP CA C 13 54.79 0.05 . 1 . . . . . . . . 6392 1
1079 . 1 1 89 89 ASP HA H 1 5.60 0.02 . 1 . . . . . . . . 6392 1
1080 . 1 1 89 89 ASP CB C 13 40.66 0.05 . 1 . . . . . . . . 6392 1
1081 . 1 1 89 89 ASP HB2 H 1 3.13 0.02 . 1 . . . . . . . . 6392 1
1082 . 1 1 89 89 ASP HB3 H 1 2.84 0.02 . 1 . . . . . . . . 6392 1
1083 . 1 1 89 89 ASP C C 13 173.87 0.05 . 1 . . . . . . . . 6392 1
1084 . 1 1 90 90 ALA N N 15 121.12 0.05 . 1 . . . . . . . . 6392 1
1085 . 1 1 90 90 ALA H H 1 8.47 0.02 . 1 . . . . . . . . 6392 1
1086 . 1 1 90 90 ALA CA C 13 52.17 0.05 . 1 . . . . . . . . 6392 1
1087 . 1 1 90 90 ALA HA H 1 5.09 0.02 . 1 . . . . . . . . 6392 1
1088 . 1 1 90 90 ALA CB C 13 23.27 0.05 . 1 . . . . . . . . 6392 1
1089 . 1 1 90 90 ALA HB1 H 1 1.19 0.02 . 1 . . . . . . . . 6392 1
1090 . 1 1 90 90 ALA HB2 H 1 1.19 0.02 . 1 . . . . . . . . 6392 1
1091 . 1 1 90 90 ALA HB3 H 1 1.19 0.02 . 1 . . . . . . . . 6392 1
1092 . 1 1 90 90 ALA C C 13 175.04 0.05 . 1 . . . . . . . . 6392 1
1093 . 1 1 91 91 TYR N N 15 117.87 0.05 . 1 . . . . . . . . 6392 1
1094 . 1 1 91 91 TYR H H 1 8.44 0.02 . 1 . . . . . . . . 6392 1
1095 . 1 1 91 91 TYR CA C 13 58.73 0.05 . 1 . . . . . . . . 6392 1
1096 . 1 1 91 91 TYR HA H 1 5.11 0.02 . 1 . . . . . . . . 6392 1
1097 . 1 1 91 91 TYR CB C 13 40.66 0.05 . 1 . . . . . . . . 6392 1
1098 . 1 1 91 91 TYR HB2 H 1 2.83 0.02 . 1 . . . . . . . . 6392 1
1099 . 1 1 91 91 TYR HB3 H 1 2.58 0.02 . 1 . . . . . . . . 6392 1
1100 . 1 1 91 91 TYR CD1 C 13 132.42 0.05 . 1 . . . . . . . . 6392 1
1101 . 1 1 91 91 TYR HD1 H 1 6.96 0.02 . 1 . . . . . . . . 6392 1
1102 . 1 1 91 91 TYR CD2 C 13 132.42 0.05 . 1 . . . . . . . . 6392 1
1103 . 1 1 91 91 TYR HD2 H 1 6.96 0.02 . 1 . . . . . . . . 6392 1
1104 . 1 1 91 91 TYR CE1 C 13 117.92 0.05 . 1 . . . . . . . . 6392 1
1105 . 1 1 91 91 TYR HE1 H 1 7.15 0.02 . 1 . . . . . . . . 6392 1
1106 . 1 1 91 91 TYR CE2 C 13 117.92 0.05 . 1 . . . . . . . . 6392 1
1107 . 1 1 91 91 TYR HE2 H 1 7.15 0.02 . 1 . . . . . . . . 6392 1
1108 . 1 1 91 91 TYR C C 13 174.97 0.05 . 1 . . . . . . . . 6392 1
1109 . 1 1 92 92 CYS N N 15 119.90 0.05 . 1 . . . . . . . . 6392 1
1110 . 1 1 92 92 CYS H H 1 8.51 0.02 . 1 . . . . . . . . 6392 1
1111 . 1 1 92 92 CYS CA C 13 50.62 0.05 . 1 . . . . . . . . 6392 1
1112 . 1 1 92 92 CYS HA H 1 5.27 0.02 . 1 . . . . . . . . 6392 1
1113 . 1 1 92 92 CYS CB C 13 37.86 0.05 . 1 . . . . . . . . 6392 1
1114 . 1 1 92 92 CYS HB2 H 1 2.88 0.02 . 1 . . . . . . . . 6392 1
1115 . 1 1 92 92 CYS HB3 H 1 0.94 0.02 . 1 . . . . . . . . 6392 1
1116 . 1 1 92 92 CYS C C 13 173.85 0.05 . 1 . . . . . . . . 6392 1
1117 . 1 1 93 93 TYR N N 15 120.66 0.05 . 1 . . . . . . . . 6392 1
1118 . 1 1 93 93 TYR H H 1 9.45 0.02 . 1 . . . . . . . . 6392 1
1119 . 1 1 93 93 TYR CA C 13 57.20 0.05 . 1 . . . . . . . . 6392 1
1120 . 1 1 93 93 TYR HA H 1 4.89 0.02 . 1 . . . . . . . . 6392 1
1121 . 1 1 93 93 TYR CB C 13 41.82 0.05 . 1 . . . . . . . . 6392 1
1122 . 1 1 93 93 TYR HB2 H 1 2.75 0.02 . 1 . . . . . . . . 6392 1
1123 . 1 1 93 93 TYR HB3 H 1 2.57 0.02 . 1 . . . . . . . . 6392 1
1124 . 1 1 93 93 TYR CD1 C 13 132.91 0.05 . 1 . . . . . . . . 6392 1
1125 . 1 1 93 93 TYR HD1 H 1 6.84 0.02 . 1 . . . . . . . . 6392 1
1126 . 1 1 93 93 TYR CD2 C 13 132.91 0.05 . 1 . . . . . . . . 6392 1
1127 . 1 1 93 93 TYR HD2 H 1 6.84 0.02 . 1 . . . . . . . . 6392 1
1128 . 1 1 93 93 TYR CE1 C 13 117.66 0.05 . 1 . . . . . . . . 6392 1
1129 . 1 1 93 93 TYR HE1 H 1 6.75 0.02 . 1 . . . . . . . . 6392 1
1130 . 1 1 93 93 TYR CE2 C 13 117.66 0.05 . 1 . . . . . . . . 6392 1
1131 . 1 1 93 93 TYR HE2 H 1 6.75 0.02 . 1 . . . . . . . . 6392 1
1132 . 1 1 93 93 TYR C C 13 174.08 0.05 . 1 . . . . . . . . 6392 1
1133 . 1 1 94 94 ASN N N 15 124.43 0.05 . 1 . . . . . . . . 6392 1
1134 . 1 1 94 94 ASN H H 1 7.80 0.02 . 1 . . . . . . . . 6392 1
1135 . 1 1 94 94 ASN CA C 13 49.65 0.05 . 1 . . . . . . . . 6392 1
1136 . 1 1 94 94 ASN HA H 1 4.79 0.02 . 1 . . . . . . . . 6392 1
1137 . 1 1 94 94 ASN HB2 H 1 2.79 0.02 . 1 . . . . . . . . 6392 1
1138 . 1 1 94 94 ASN HB3 H 1 2.79 0.02 . 1 . . . . . . . . 6392 1
1139 . 1 1 94 94 ASN ND2 N 15 113.43 0.05 . 1 . . . . . . . . 6392 1
1140 . 1 1 94 94 ASN HD21 H 1 7.57 0.02 . 1 . . . . . . . . 6392 1
1141 . 1 1 94 94 ASN HD22 H 1 6.98 0.02 . 1 . . . . . . . . 6392 1
1142 . 1 1 95 95 PRO CA C 13 64.03 0.05 . 1 . . . . . . . . 6392 1
1143 . 1 1 95 95 PRO HA H 1 4.13 0.02 . 1 . . . . . . . . 6392 1
1144 . 1 1 95 95 PRO CD C 13 51.25 0.05 . 1 . . . . . . . . 6392 1
1145 . 1 1 95 95 PRO HD2 H 1 3.78 0.02 . 1 . . . . . . . . 6392 1
1146 . 1 1 95 95 PRO HD3 H 1 3.46 0.02 . 1 . . . . . . . . 6392 1
1147 . 1 1 95 95 PRO CB C 13 32.16 0.05 . 1 . . . . . . . . 6392 1
1148 . 1 1 95 95 PRO HB2 H 1 2.25 0.02 . 1 . . . . . . . . 6392 1
1149 . 1 1 95 95 PRO HB3 H 1 1.71 0.02 . 1 . . . . . . . . 6392 1
1150 . 1 1 95 95 PRO CG C 13 26.54 0.05 . 1 . . . . . . . . 6392 1
1151 . 1 1 95 95 PRO HG2 H 1 2.04 0.02 . 1 . . . . . . . . 6392 1
1152 . 1 1 95 95 PRO HG3 H 1 1.55 0.02 . 1 . . . . . . . . 6392 1
1153 . 1 1 95 95 PRO C C 13 177.03 0.05 . 1 . . . . . . . . 6392 1
1154 . 1 1 96 96 HIS N N 15 116.31 0.05 . 1 . . . . . . . . 6392 1
1155 . 1 1 96 96 HIS H H 1 8.33 0.02 . 1 . . . . . . . . 6392 1
1156 . 1 1 96 96 HIS CA C 13 55.33 0.05 . 1 . . . . . . . . 6392 1
1157 . 1 1 96 96 HIS HA H 1 4.63 0.02 . 1 . . . . . . . . 6392 1
1158 . 1 1 96 96 HIS NE2 N 15 177.04 0.05 . 1 . . . . . . . . 6392 1
1159 . 1 1 96 96 HIS CD2 C 13 120.10 0.05 . 1 . . . . . . . . 6392 1
1160 . 1 1 96 96 HIS HD2 H 1 7.22 0.02 . 1 . . . . . . . . 6392 1
1161 . 1 1 96 96 HIS ND1 N 15 193.85 0.05 . 1 . . . . . . . . 6392 1
1162 . 1 1 96 96 HIS CE1 C 13 137.50 0.05 . 1 . . . . . . . . 6392 1
1163 . 1 1 96 96 HIS HE1 H 1 8.20 0.02 . 1 . . . . . . . . 6392 1
1164 . 1 1 96 96 HIS CB C 13 29.45 0.05 . 1 . . . . . . . . 6392 1
1165 . 1 1 96 96 HIS HB2 H 1 3.25 0.02 . 1 . . . . . . . . 6392 1
1166 . 1 1 96 96 HIS HB3 H 1 3.00 0.02 . 1 . . . . . . . . 6392 1
1167 . 1 1 96 96 HIS C C 13 174.45 0.05 . 1 . . . . . . . . 6392 1
1168 . 1 1 97 97 ALA N N 15 123.76 0.05 . 1 . . . . . . . . 6392 1
1169 . 1 1 97 97 ALA H H 1 7.40 0.02 . 1 . . . . . . . . 6392 1
1170 . 1 1 97 97 ALA CA C 13 51.97 0.05 . 1 . . . . . . . . 6392 1
1171 . 1 1 97 97 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 6392 1
1172 . 1 1 97 97 ALA CB C 13 19.69 0.05 . 1 . . . . . . . . 6392 1
1173 . 1 1 97 97 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . 6392 1
1174 . 1 1 97 97 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . 6392 1
1175 . 1 1 97 97 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . 6392 1
1176 . 1 1 97 97 ALA C C 13 176.47 0.05 . 1 . . . . . . . . 6392 1
1177 . 1 1 98 98 LYS N N 15 127.52 0.05 . 1 . . . . . . . . 6392 1
1178 . 1 1 98 98 LYS H H 1 8.04 0.02 . 1 . . . . . . . . 6392 1
1179 . 1 1 98 98 LYS CA C 13 58.04 0.05 . 1 . . . . . . . . 6392 1
1180 . 1 1 98 98 LYS HA H 1 4.02 0.02 . 1 . . . . . . . . 6392 1
1181 . 1 1 98 98 LYS CB C 13 33.47 0.05 . 1 . . . . . . . . 6392 1
1182 . 1 1 98 98 LYS HB2 H 1 1.76 0.02 . 1 . . . . . . . . 6392 1
1183 . 1 1 98 98 LYS HB3 H 1 1.63 0.02 . 1 . . . . . . . . 6392 1
1184 . 1 1 98 98 LYS CG C 13 24.82 0.05 . 1 . . . . . . . . 6392 1
1185 . 1 1 98 98 LYS HG2 H 1 1.36 0.02 . 1 . . . . . . . . 6392 1
1186 . 1 1 98 98 LYS HG3 H 1 1.36 0.02 . 1 . . . . . . . . 6392 1
1187 . 1 1 98 98 LYS CD C 13 29.07 0.05 . 1 . . . . . . . . 6392 1
1188 . 1 1 98 98 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 6392 1
1189 . 1 1 98 98 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 6392 1
1190 . 1 1 98 98 LYS CE C 13 42.10 0.05 . 1 . . . . . . . . 6392 1
1191 . 1 1 98 98 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 6392 1
1192 . 1 1 98 98 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 6392 1
stop_
save_