data_6167
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 6167
_Entry.Title
;
Structural studies on the Ca-binding domain of human nucleobindin (CALNUC)
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2004-04-02
_Entry.Accession_date 2004-04-02
_Entry.Last_release_date 2004-06-25
_Entry.Original_release_date 2004-06-25
_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 Eva 'de Alba' . . . 6167
2 Nico Tjandra . . . 6167
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 6167
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 620 6167
'13C chemical shifts' 433 6167
'15N chemical shifts' 99 6167
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 . . 2004-06-25 2004-04-02 original author . 6167
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 6167
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title 'Structural studies on the Ca-binding domain of human nucleobindin (CALNUC)'
_Citation.Status submitted
_Citation.Type journal
_Citation.Journal_abbrev Biochemistry
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Eva 'de Alba' . . . 6167 1
2 Nico Tjandra . . . 6167 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
EF-HAND 6167 1
CALCIUM-BINDING 6167 1
NMR 6167 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_Nuc
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_Nuc
_Assembly.Entry_ID 6167
_Assembly.ID 1
_Assembly.Name Nucleobindin
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'not present'
_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 6167 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 Nucleobindin 1 $Nucleobindin . . . native . . . . . 6167 1
2 'calcium ion, 1' 2 $CA . . . native . . . . . 6167 1
3 'calcium ion, 2' 2 $CA . . . native . . . . . 6167 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 1SNL . . . . . . 6167 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
Nucleobindin system 6167 1
Nuc abbreviation 6167 1
stop_
loop_
_Assembly_bio_function.Biological_function
_Assembly_bio_function.Entry_ID
_Assembly_bio_function.Assembly_ID
'Calcium storage' 6167 1
DNA-binding 6167 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_Nucleobindin
_Entity.Sf_category entity
_Entity.Sf_framecode Nucleobindin
_Entity.Entry_ID 6167
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name Nucleobindin
_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
;
LKEVWEELDGLDPNRFNPKT
FFILHDINSDGVLDEQELEA
LFTKELEKVYDPKNEEDDMR
EMEEERLRMREHVMKNVDTN
QDRLVTLEEFLASTQRKEF
;
_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 99
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 12403
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details 'Consists of twp EF-hands and it is bound to two calcium ions.'
_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 PDB 1SNL . "Nmr Solution Structure Of The Calcium-Binding Domain Of Nucleobindin (Calnuc)" . . . . . 100.00 103 100.00 100.00 1.44e-62 . . . . 6167 1
2 no DBJ BAB23644 . "unnamed protein product [Mus musculus]" . . . . . 100.00 459 100.00 100.00 1.88e-60 . . . . 6167 1
3 no DBJ BAB25383 . "unnamed protein product [Mus musculus]" . . . . . 100.00 459 100.00 100.00 2.09e-60 . . . . 6167 1
4 no DBJ BAC32214 . "unnamed protein product [Mus musculus]" . . . . . 100.00 459 100.00 100.00 1.80e-60 . . . . 6167 1
5 no DBJ BAD96525 . "nucleobindin 1 variant [Homo sapiens]" . . . . . 100.00 461 100.00 100.00 4.74e-60 . . . . 6167 1
6 no DBJ BAE24451 . "unnamed protein product [Mus musculus]" . . . . . 100.00 459 100.00 100.00 1.88e-60 . . . . 6167 1
7 no EMBL CAA85285 . "Calcium binding protein [Rattus norvegicus]" . . . . . 100.00 459 100.00 100.00 1.82e-60 . . . . 6167 1
8 no EMBL CAH89813 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 464 100.00 100.00 3.20e-60 . . . . 6167 1
9 no EMBL CAH93225 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 463 98.99 98.99 2.56e-59 . . . . 6167 1
10 no GB AAA36383 . "nucleobindin [Homo sapiens]" . . . . . 100.00 460 97.98 98.99 2.67e-58 . . . . 6167 1
11 no GB AAA39842 . "nucleobindin [Mus musculus]" . . . . . 100.00 455 100.00 100.00 1.67e-60 . . . . 6167 1
12 no GB AAB60431 . "nucleobindin [Homo sapiens]" . . . . . 100.00 461 100.00 100.00 5.22e-60 . . . . 6167 1
13 no GB AAH02356 . "Nucleobindin 1 [Homo sapiens]" . . . . . 100.00 461 100.00 100.00 4.09e-60 . . . . 6167 1
14 no GB AAH72554 . "Nucb1 protein [Mus musculus]" . . . . . 100.00 459 100.00 100.00 1.88e-60 . . . . 6167 1
15 no REF NP_001068667 . "nucleobindin-1 precursor [Bos taurus]" . . . . . 100.00 474 98.99 100.00 1.30e-59 . . . . 6167 1
16 no REF NP_001126897 . "nucleobindin-1 precursor [Pongo abelii]" . . . . . 100.00 463 98.99 98.99 2.56e-59 . . . . 6167 1
17 no REF NP_001128752 . "DKFZP459P137 protein precursor [Pongo abelii]" . . . . . 100.00 464 100.00 100.00 3.20e-60 . . . . 6167 1
18 no REF NP_001157134 . "nucleobindin-1 isoform 1 precursor [Mus musculus]" . . . . . 100.00 459 100.00 100.00 1.88e-60 . . . . 6167 1
19 no REF NP_001231417 . "nucleobindin-1 precursor [Sus scrofa]" . . . . . 100.00 457 98.99 100.00 1.17e-59 . . . . 6167 1
20 no SP Q02818 . "RecName: Full=Nucleobindin-1; AltName: Full=CALNUC; Flags: Precursor [Homo sapiens]" . . . . . 100.00 461 100.00 100.00 4.09e-60 . . . . 6167 1
21 no SP Q02819 . "RecName: Full=Nucleobindin-1; AltName: Full=CALNUC; Flags: Precursor [Mus musculus]" . . . . . 100.00 459 100.00 100.00 1.88e-60 . . . . 6167 1
22 no SP Q0P569 . "RecName: Full=Nucleobindin-1; Flags: Precursor [Bos taurus]" . . . . . 100.00 474 98.99 100.00 1.30e-59 . . . . 6167 1
23 no SP Q5R4U1 . "RecName: Full=Nucleobindin-1; Flags: Precursor [Pongo abelii]" . . . . . 100.00 463 98.99 98.99 2.56e-59 . . . . 6167 1
24 no SP Q63083 . "RecName: Full=Nucleobindin-1; AltName: Full=Bone 63 kDa calcium-binding protein; AltName: Full=CALNUC; Flags: Precursor [Rattus" . . . . . 100.00 459 100.00 100.00 1.82e-60 . . . . 6167 1
25 no TPG DAA19548 . "TPA: nucleobindin-1 precursor [Bos taurus]" . . . . . 100.00 474 98.99 100.00 1.30e-59 . . . . 6167 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
Nucleobindin common 6167 1
Nuc abbreviation 6167 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 1 LEU . 6167 1
2 2 LYS . 6167 1
3 3 GLU . 6167 1
4 4 VAL . 6167 1
5 5 TRP . 6167 1
6 6 GLU . 6167 1
7 7 GLU . 6167 1
8 8 LEU . 6167 1
9 9 ASP . 6167 1
10 10 GLY . 6167 1
11 11 LEU . 6167 1
12 12 ASP . 6167 1
13 13 PRO . 6167 1
14 14 ASN . 6167 1
15 15 ARG . 6167 1
16 16 PHE . 6167 1
17 17 ASN . 6167 1
18 18 PRO . 6167 1
19 19 LYS . 6167 1
20 20 THR . 6167 1
21 21 PHE . 6167 1
22 22 PHE . 6167 1
23 23 ILE . 6167 1
24 24 LEU . 6167 1
25 25 HIS . 6167 1
26 26 ASP . 6167 1
27 27 ILE . 6167 1
28 28 ASN . 6167 1
29 29 SER . 6167 1
30 30 ASP . 6167 1
31 31 GLY . 6167 1
32 32 VAL . 6167 1
33 33 LEU . 6167 1
34 34 ASP . 6167 1
35 35 GLU . 6167 1
36 36 GLN . 6167 1
37 37 GLU . 6167 1
38 38 LEU . 6167 1
39 39 GLU . 6167 1
40 40 ALA . 6167 1
41 41 LEU . 6167 1
42 42 PHE . 6167 1
43 43 THR . 6167 1
44 44 LYS . 6167 1
45 45 GLU . 6167 1
46 46 LEU . 6167 1
47 47 GLU . 6167 1
48 48 LYS . 6167 1
49 49 VAL . 6167 1
50 50 TYR . 6167 1
51 51 ASP . 6167 1
52 52 PRO . 6167 1
53 53 LYS . 6167 1
54 54 ASN . 6167 1
55 55 GLU . 6167 1
56 56 GLU . 6167 1
57 57 ASP . 6167 1
58 58 ASP . 6167 1
59 59 MET . 6167 1
60 60 ARG . 6167 1
61 61 GLU . 6167 1
62 62 MET . 6167 1
63 63 GLU . 6167 1
64 64 GLU . 6167 1
65 65 GLU . 6167 1
66 66 ARG . 6167 1
67 67 LEU . 6167 1
68 68 ARG . 6167 1
69 69 MET . 6167 1
70 70 ARG . 6167 1
71 71 GLU . 6167 1
72 72 HIS . 6167 1
73 73 VAL . 6167 1
74 74 MET . 6167 1
75 75 LYS . 6167 1
76 76 ASN . 6167 1
77 77 VAL . 6167 1
78 78 ASP . 6167 1
79 79 THR . 6167 1
80 80 ASN . 6167 1
81 81 GLN . 6167 1
82 82 ASP . 6167 1
83 83 ARG . 6167 1
84 84 LEU . 6167 1
85 85 VAL . 6167 1
86 86 THR . 6167 1
87 87 LEU . 6167 1
88 88 GLU . 6167 1
89 89 GLU . 6167 1
90 90 PHE . 6167 1
91 91 LEU . 6167 1
92 92 ALA . 6167 1
93 93 SER . 6167 1
94 94 THR . 6167 1
95 95 GLN . 6167 1
96 96 ARG . 6167 1
97 97 LYS . 6167 1
98 98 GLU . 6167 1
99 99 PHE . 6167 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
. LEU 1 1 6167 1
. LYS 2 2 6167 1
. GLU 3 3 6167 1
. VAL 4 4 6167 1
. TRP 5 5 6167 1
. GLU 6 6 6167 1
. GLU 7 7 6167 1
. LEU 8 8 6167 1
. ASP 9 9 6167 1
. GLY 10 10 6167 1
. LEU 11 11 6167 1
. ASP 12 12 6167 1
. PRO 13 13 6167 1
. ASN 14 14 6167 1
. ARG 15 15 6167 1
. PHE 16 16 6167 1
. ASN 17 17 6167 1
. PRO 18 18 6167 1
. LYS 19 19 6167 1
. THR 20 20 6167 1
. PHE 21 21 6167 1
. PHE 22 22 6167 1
. ILE 23 23 6167 1
. LEU 24 24 6167 1
. HIS 25 25 6167 1
. ASP 26 26 6167 1
. ILE 27 27 6167 1
. ASN 28 28 6167 1
. SER 29 29 6167 1
. ASP 30 30 6167 1
. GLY 31 31 6167 1
. VAL 32 32 6167 1
. LEU 33 33 6167 1
. ASP 34 34 6167 1
. GLU 35 35 6167 1
. GLN 36 36 6167 1
. GLU 37 37 6167 1
. LEU 38 38 6167 1
. GLU 39 39 6167 1
. ALA 40 40 6167 1
. LEU 41 41 6167 1
. PHE 42 42 6167 1
. THR 43 43 6167 1
. LYS 44 44 6167 1
. GLU 45 45 6167 1
. LEU 46 46 6167 1
. GLU 47 47 6167 1
. LYS 48 48 6167 1
. VAL 49 49 6167 1
. TYR 50 50 6167 1
. ASP 51 51 6167 1
. PRO 52 52 6167 1
. LYS 53 53 6167 1
. ASN 54 54 6167 1
. GLU 55 55 6167 1
. GLU 56 56 6167 1
. ASP 57 57 6167 1
. ASP 58 58 6167 1
. MET 59 59 6167 1
. ARG 60 60 6167 1
. GLU 61 61 6167 1
. MET 62 62 6167 1
. GLU 63 63 6167 1
. GLU 64 64 6167 1
. GLU 65 65 6167 1
. ARG 66 66 6167 1
. LEU 67 67 6167 1
. ARG 68 68 6167 1
. MET 69 69 6167 1
. ARG 70 70 6167 1
. GLU 71 71 6167 1
. HIS 72 72 6167 1
. VAL 73 73 6167 1
. MET 74 74 6167 1
. LYS 75 75 6167 1
. ASN 76 76 6167 1
. VAL 77 77 6167 1
. ASP 78 78 6167 1
. THR 79 79 6167 1
. ASN 80 80 6167 1
. GLN 81 81 6167 1
. ASP 82 82 6167 1
. ARG 83 83 6167 1
. LEU 84 84 6167 1
. VAL 85 85 6167 1
. THR 86 86 6167 1
. LEU 87 87 6167 1
. GLU 88 88 6167 1
. GLU 89 89 6167 1
. PHE 90 90 6167 1
. LEU 91 91 6167 1
. ALA 92 92 6167 1
. SER 93 93 6167 1
. THR 94 94 6167 1
. GLN 95 95 6167 1
. ARG 96 96 6167 1
. LYS 97 97 6167 1
. GLU 98 98 6167 1
. PHE 99 99 6167 1
stop_
save_
save_CA
_Entity.Sf_category entity
_Entity.Sf_framecode CA
_Entity.Entry_ID 6167
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name CA
_Entity.Type non-polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type .
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code .
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer .
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID CA
_Entity.Nonpolymer_comp_label $chem_comp_CA
_Entity.Number_of_monomers .
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state .
_Entity.Src_method .
_Entity.Parent_entity_ID 2
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . CA . 6167 2
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 6167
_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 $Nucleobindin . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6167 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 6167
_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 $Nucleobindin . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6167 1
stop_
save_
#################################
# Polymer residues and ligands #
#################################
save_chem_comp_CA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_CA
_Chem_comp.Entry_ID 6167
_Chem_comp.ID CA
_Chem_comp.Provenance .
_Chem_comp.Name 'CALCIUM ION'
_Chem_comp.Type non-polymer
_Chem_comp.BMRB_code .
_Chem_comp.PDB_code CA
_Chem_comp.Ambiguous_flag no
_Chem_comp.Initial_date 1999-07-08
_Chem_comp.Modified_date 2011-06-04
_Chem_comp.Release_status REL
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code CA
_Chem_comp.Number_atoms_all .
_Chem_comp.Number_atoms_nh .
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code .
_Chem_comp.Mon_nstd_flag .
_Chem_comp.Mon_nstd_class .
_Chem_comp.Mon_nstd_details .
_Chem_comp.Mon_nstd_parent .
_Chem_comp.Mon_nstd_parent_comp_ID .
_Chem_comp.Std_deriv_one_letter_code .
_Chem_comp.Std_deriv_three_letter_code .
_Chem_comp.Std_deriv_BMRB_code .
_Chem_comp.Std_deriv_PDB_code .
_Chem_comp.Std_deriv_chem_comp_name .
_Chem_comp.Synonyms .
_Chem_comp.Formal_charge 2
_Chem_comp.Paramagnetic .
_Chem_comp.Aromatic no
_Chem_comp.Formula Ca
_Chem_comp.Formula_weight 40.078
_Chem_comp.Formula_mono_iso_wt_nat .
_Chem_comp.Formula_mono_iso_wt_13C .
_Chem_comp.Formula_mono_iso_wt_15N .
_Chem_comp.Formula_mono_iso_wt_13C_15N .
_Chem_comp.Image_file_name .
_Chem_comp.Image_file_format .
_Chem_comp.Topo_file_name .
_Chem_comp.Topo_file_format .
_Chem_comp.Struct_file_name .
_Chem_comp.Struct_file_format .
_Chem_comp.Stereochem_param_file_name .
_Chem_comp.Stereochem_param_file_format .
_Chem_comp.Model_details .
_Chem_comp.Model_erf .
_Chem_comp.Model_source .
_Chem_comp.Model_coordinates_details .
_Chem_comp.Model_coordinates_missing_flag no
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag no
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site RCSB
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Mon Jun 20 11:33:06 2011
;
_Chem_comp.DB_query_date .
_Chem_comp.DB_last_query_revised_last_date .
loop_
_Chem_comp_descriptor.Descriptor
_Chem_comp_descriptor.Type
_Chem_comp_descriptor.Program
_Chem_comp_descriptor.Program_version
_Chem_comp_descriptor.Entry_ID
_Chem_comp_descriptor.Comp_ID
[Ca+2] SMILES ACDLabs 10.04 6167 CA
[Ca++] SMILES_CANONICAL CACTVS 3.341 6167 CA
[Ca++] SMILES CACTVS 3.341 6167 CA
[Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6167 CA
[Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 6167 CA
InChI=1S/Ca/q+2 InChI InChI 1.03 6167 CA
BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 6167 CA
stop_
loop_
_Chem_comp_identifier.Identifier
_Chem_comp_identifier.Type
_Chem_comp_identifier.Program
_Chem_comp_identifier.Program_version
_Chem_comp_identifier.Entry_ID
_Chem_comp_identifier.Comp_ID
calcium 'SYSTEMATIC NAME' ACDLabs 10.04 6167 CA
'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6167 CA
stop_
loop_
_Chem_comp_atom.Atom_ID
_Chem_comp_atom.BMRB_code
_Chem_comp_atom.PDB_atom_ID
_Chem_comp_atom.Alt_atom_ID
_Chem_comp_atom.Auth_atom_ID
_Chem_comp_atom.Type_symbol
_Chem_comp_atom.Isotope_number
_Chem_comp_atom.Chirality
_Chem_comp_atom.Stereo_config
_Chem_comp_atom.Charge
_Chem_comp_atom.Partial_charge
_Chem_comp_atom.Oxidation_number
_Chem_comp_atom.Unpaired_electron_number
_Chem_comp_atom.Align
_Chem_comp_atom.Aromatic_flag
_Chem_comp_atom.Leaving_atom_flag
_Chem_comp_atom.Substruct_code
_Chem_comp_atom.Ionizable
_Chem_comp_atom.Drawing_2D_coord_x
_Chem_comp_atom.Drawing_2D_coord_y
_Chem_comp_atom.Model_Cartn_x
_Chem_comp_atom.Model_Cartn_x_esd
_Chem_comp_atom.Model_Cartn_y
_Chem_comp_atom.Model_Cartn_y_esd
_Chem_comp_atom.Model_Cartn_z
_Chem_comp_atom.Model_Cartn_z_esd
_Chem_comp_atom.Model_Cartn_x_ideal
_Chem_comp_atom.Model_Cartn_y_ideal
_Chem_comp_atom.Model_Cartn_z_ideal
_Chem_comp_atom.PDBX_ordinal
_Chem_comp_atom.Details
_Chem_comp_atom.Entry_ID
_Chem_comp_atom.Comp_ID
CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6167 CA
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 6167
_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 Nucleobindin [U-15N] . . 1 $Nucleobindin . . 1 . . mM . . . . 6167 1
2 CaCl2 . . . . . . . 5 . . mM . . . . 6167 1
3 NaN3 . . . . . . . 0.1 . . mM . . . . 6167 1
4 H2O . . . . . . . 90 . . % . . . . 6167 1
5 D2O . . . . . . . 10 . . % . . . . 6167 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 6167
_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 Nucleobindin '[U-15N; U-13C]' . . 1 $Nucleobindin . . 1 . . mM . . . . 6167 2
2 CaCl2 . . . . . . . 5 . . mM . . . . 6167 2
3 NaN3 . . . . . . . 0.1 . . mM . . . . 6167 2
4 H2O . . . . . . . 90 . . % . . . . 6167 2
5 D2O . . . . . . . 10 . . % . . . . 6167 2
stop_
save_
save_sample_3
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3
_Sample.Entry_ID 6167
_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 Nucleobindin '[U-15N; U-13C]' . . 1 $Nucleobindin . . 1 . . mM . . . . 6167 3
2 CaCl2 . . . . . . . 5 . . mM . . . . 6167 3
3 NaN3 . . . . . . . 0.1 . . mM . . . . 6167 3
4 D2O . . . . . . . 100 . . % . . . . 6167 3
stop_
save_
save_sample_4
_Sample.Sf_category sample
_Sample.Sf_framecode sample_4
_Sample.Entry_ID 6167
_Sample.ID 4
_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 Nucleobindin '[U-15N; U-13C]' . . 1 $Nucleobindin . . 0.7 . . mM . . . . 6167 4
2 CaCl2 . . . . . . . 5 . . mM . . . . 6167 4
3 NaN3 . . . . . . . 0.1 . . mM . . . . 6167 4
4 H2O . . . . . . . 90 . . % . . . . 6167 4
5 D2O . . . . . . . 10 . . % . . . . 6167 4
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 6167
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 6.8 0.2 pH 6167 1
temperature 300 0.1 K 6167 1
'ionic strength' 10 . mM 6167 1
pressure 1 . atm 6167 1
stop_
save_
############################
# Computer software used #
############################
save_UXNMR
_Software.Sf_category software
_Software.Sf_framecode UXNMR
_Software.Entry_ID 6167
_Software.ID 1
_Software.Name UXNMR
_Software.Version 2.5
_Software.Details Bruker
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 6167 1
stop_
save_
save_XWINNMR
_Software.Sf_category software
_Software.Sf_framecode XWINNMR
_Software.Entry_ID 6167
_Software.ID 2
_Software.Name XWINNMR
_Software.Version 2.5
_Software.Details Bruker
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 6167 2
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 6167
_Software.ID 3
_Software.Name NMRPipe
_Software.Version 2.1
_Software.Details 'Delaglio, F.'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 6167 3
stop_
save_
save_PIPP
_Software.Sf_category software
_Software.Sf_framecode PIPP
_Software.Entry_ID 6167
_Software.ID 4
_Software.Name PIPP
_Software.Version 4.2.8
_Software.Details 'Garrett, D.'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 6167 4
stop_
save_
save_XPLOR-NIH
_Software.Sf_category software
_Software.Sf_framecode XPLOR-NIH
_Software.Entry_ID 6167
_Software.ID 5
_Software.Name XPLOR-NIH
_Software.Version 2.9.3
_Software.Details 'Schwieters, kuszewski, Tjandra, Clore'
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 6167 5
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 6167
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AVANCE
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_NMR_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_2
_NMR_spectrometer.Entry_ID 6167
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AVANCE
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 6167
_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 Bruker AVANCE . 800 . . . 6167 1
2 NMR_spectrometer_2 Bruker AVANCE . 600 . . . 6167 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 6167
_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-HSQC . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1
2 '3D-15N separated-NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1
3 4D-15N . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1
4 '13C separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1
5 HNCO . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1
6 CBCACONH . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1
7 HNCACB . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1
8 HCCONH . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1
9 CCONH . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1
10 '4D-13C,13C separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1
11 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1
12 HCACONH . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1
13 '13C-HSQC JMOD' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1
stop_
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 6167
_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 . . . 1 $entry_citation . . 1 $entry_citation 6167 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6167 1
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6167 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_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6167
_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 . 6167 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 LEU CA C 13 55.9760 . . 1 . . . . . . . . 6167 1
2 . 1 1 1 1 LEU C C 13 177.7340 . . 1 . . . . . . . . 6167 1
3 . 1 1 1 1 LEU CB C 13 41.5330 . . 1 . . . . . . . . 6167 1
4 . 1 1 2 2 LYS H H 1 8.0000 . . 1 . . . . . . . . 6167 1
5 . 1 1 2 2 LYS N N 15 119.4630 . . 1 . . . . . . . . 6167 1
6 . 1 1 2 2 LYS CA C 13 57.55 . . 1 . . . . . . . . 6167 1
7 . 1 1 2 2 LYS HA H 1 4.076 . . 1 . . . . . . . . 6167 1
8 . 1 1 2 2 LYS CB C 13 33.10 . . 1 . . . . . . . . 6167 1
9 . 1 1 2 2 LYS CG C 13 24.84 . . 1 . . . . . . . . 6167 1
10 . 1 1 2 2 LYS CD C 13 29.74 . . 1 . . . . . . . . 6167 1
11 . 1 1 2 2 LYS CE C 13 41.79 . . 1 . . . . . . . . 6167 1
12 . 1 1 2 2 LYS HB2 H 1 1.749 . . 1 . . . . . . . . 6167 1
13 . 1 1 2 2 LYS HG2 H 1 1.319 . . 1 . . . . . . . . 6167 1
14 . 1 1 2 2 LYS HD2 H 1 1.745 . . 1 . . . . . . . . 6167 1
15 . 1 1 2 2 LYS HE2 H 1 2.927 . . 1 . . . . . . . . 6167 1
16 . 1 1 4 4 VAL CA C 13 63.9380 . . 1 . . . . . . . . 6167 1
17 . 1 1 4 4 VAL HA H 1 3.761 . . 1 . . . . . . . . 6167 1
18 . 1 1 4 4 VAL CB C 13 32.0190 . . 1 . . . . . . . . 6167 1
19 . 1 1 4 4 VAL HB H 1 1.827 . . 1 . . . . . . . . 6167 1
20 . 1 1 4 4 VAL CG1 C 13 21.38 . . 2 . . . . . . . . 6167 1
21 . 1 1 4 4 VAL HG11 H 1 0.684 . . 2 . . . . . . . . 6167 1
22 . 1 1 4 4 VAL HG12 H 1 0.684 . . 2 . . . . . . . . 6167 1
23 . 1 1 4 4 VAL HG13 H 1 0.684 . . 2 . . . . . . . . 6167 1
24 . 1 1 4 4 VAL CG2 C 13 21.296 . . 2 . . . . . . . . 6167 1
25 . 1 1 4 4 VAL HG21 H 1 0.635 . . 2 . . . . . . . . 6167 1
26 . 1 1 4 4 VAL HG22 H 1 0.635 . . 2 . . . . . . . . 6167 1
27 . 1 1 4 4 VAL HG23 H 1 0.635 . . 2 . . . . . . . . 6167 1
28 . 1 1 5 5 TRP H H 1 7.7530 . . 1 . . . . . . . . 6167 1
29 . 1 1 5 5 TRP N N 15 119.3700 . . 1 . . . . . . . . 6167 1
30 . 1 1 5 5 TRP CA C 13 58.22 . . 1 . . . . . . . . 6167 1
31 . 1 1 5 5 TRP HA H 1 4.466 . . 1 . . . . . . . . 6167 1
32 . 1 1 5 5 TRP CB C 13 29.659 . . 1 . . . . . . . . 6167 1
33 . 1 1 5 5 TRP CD1 C 13 126.8 . . 1 . . . . . . . . 6167 1
34 . 1 1 5 5 TRP HD1 H 1 7.128 . . 1 . . . . . . . . 6167 1
35 . 1 1 5 5 TRP NE1 N 15 128.119 . . 1 . . . . . . . . 6167 1
36 . 1 1 5 5 TRP HE1 H 1 10.046 . . 1 . . . . . . . . 6167 1
37 . 1 1 5 5 TRP CE3 C 13 122.07 . . 1 . . . . . . . . 6167 1
38 . 1 1 5 5 TRP HE3 H 1 7.80 . . 1 . . . . . . . . 6167 1
39 . 1 1 5 5 TRP CZ2 C 13 114.064 . . 1 . . . . . . . . 6167 1
40 . 1 1 5 5 TRP HZ2 H 1 7.299 . . 1 . . . . . . . . 6167 1
41 . 1 1 5 5 TRP HB2 H 1 3.784 . . 1 . . . . . . . . 6167 1
42 . 1 1 7 7 GLU H H 1 7.9030 . . 1 . . . . . . . . 6167 1
43 . 1 1 7 7 GLU CA C 13 56.8930 . . 1 . . . . . . . . 6167 1
44 . 1 1 7 7 GLU HA H 1 4.202 . . 1 . . . . . . . . 6167 1
45 . 1 1 7 7 GLU CB C 13 29.7670 . . 1 . . . . . . . . 6167 1
46 . 1 1 7 7 GLU HB3 H 1 1.881 . . 2 . . . . . . . . 6167 1
47 . 1 1 7 7 GLU CG C 13 36.10 . . 1 . . . . . . . . 6167 1
48 . 1 1 7 7 GLU HB2 H 1 2.014 . . 2 . . . . . . . . 6167 1
49 . 1 1 7 7 GLU HG2 H 1 2.161 . . 1 . . . . . . . . 6167 1
50 . 1 1 8 8 LEU H H 1 7.9150 . . 1 . . . . . . . . 6167 1
51 . 1 1 8 8 LEU N N 15 120.7610 . . 1 . . . . . . . . 6167 1
52 . 1 1 8 8 LEU CA C 13 55.599 . . 1 . . . . . . . . 6167 1
53 . 1 1 8 8 LEU HA H 1 4.236 . . 1 . . . . . . . . 6167 1
54 . 1 1 8 8 LEU C C 13 177.2190 . . 1 . . . . . . . . 6167 1
55 . 1 1 8 8 LEU CB C 13 42.31 . . 1 . . . . . . . . 6167 1
56 . 1 1 8 8 LEU HB3 H 1 1.494 . . 2 . . . . . . . . 6167 1
57 . 1 1 8 8 LEU CG C 13 26.72 . . 1 . . . . . . . . 6167 1
58 . 1 1 8 8 LEU CD1 C 13 25.20 . . 2 . . . . . . . . 6167 1
59 . 1 1 8 8 LEU HD11 H 1 0.746 . . 1 . . . . . . . . 6167 1
60 . 1 1 8 8 LEU HD12 H 1 0.746 . . 1 . . . . . . . . 6167 1
61 . 1 1 8 8 LEU HD13 H 1 0.746 . . 1 . . . . . . . . 6167 1
62 . 1 1 8 8 LEU CD2 C 13 23.40 . . 2 . . . . . . . . 6167 1
63 . 1 1 8 8 LEU HD21 H 1 0.746 . . 1 . . . . . . . . 6167 1
64 . 1 1 8 8 LEU HD22 H 1 0.746 . . 1 . . . . . . . . 6167 1
65 . 1 1 8 8 LEU HD23 H 1 0.746 . . 1 . . . . . . . . 6167 1
66 . 1 1 8 8 LEU HG H 1 1.645 . . 1 . . . . . . . . 6167 1
67 . 1 1 8 8 LEU HB2 H 1 1.628 . . 2 . . . . . . . . 6167 1
68 . 1 1 9 9 ASP H H 1 8.2140 . . 1 . . . . . . . . 6167 1
69 . 1 1 9 9 ASP N N 15 119.2700 . . 1 . . . . . . . . 6167 1
70 . 1 1 9 9 ASP CA C 13 54.7400 . . 1 . . . . . . . . 6167 1
71 . 1 1 9 9 ASP HA H 1 4.569 . . 1 . . . . . . . . 6167 1
72 . 1 1 9 9 ASP C C 13 176.8290 . . 1 . . . . . . . . 6167 1
73 . 1 1 9 9 ASP CB C 13 41.2800 . . 1 . . . . . . . . 6167 1
74 . 1 1 9 9 ASP HB2 H 1 2.690 . . 1 . . . . . . . . 6167 1
75 . 1 1 10 10 GLY H H 1 8.1470 . . 1 . . . . . . . . 6167 1
76 . 1 1 10 10 GLY N N 15 107.605 . . 1 . . . . . . . . 6167 1
77 . 1 1 10 10 GLY CA C 13 45.5800 . . 1 . . . . . . . . 6167 1
78 . 1 1 10 10 GLY C C 13 174.1950 . . 1 . . . . . . . . 6167 1
79 . 1 1 10 10 GLY HA2 H 1 3.878 . . 1 . . . . . . . . 6167 1
80 . 1 1 11 11 LEU H H 1 7.9580 . . 1 . . . . . . . . 6167 1
81 . 1 1 11 11 LEU N N 15 119.9830 . . 1 . . . . . . . . 6167 1
82 . 1 1 11 11 LEU CA C 13 54.909 . . 1 . . . . . . . . 6167 1
83 . 1 1 11 11 LEU HA H 1 4.331 . . 1 . . . . . . . . 6167 1
84 . 1 1 11 11 LEU C C 13 176.8410 . . 1 . . . . . . . . 6167 1
85 . 1 1 11 11 LEU CB C 13 42.341 . . 1 . . . . . . . . 6167 1
86 . 1 1 11 11 LEU CG C 13 27.089 . . 1 . . . . . . . . 6167 1
87 . 1 1 11 11 LEU CD1 C 13 25.32 . . 2 . . . . . . . . 6167 1
88 . 1 1 11 11 LEU HD11 H 1 0.869 . . 2 . . . . . . . . 6167 1
89 . 1 1 11 11 LEU HD12 H 1 0.869 . . 2 . . . . . . . . 6167 1
90 . 1 1 11 11 LEU HD13 H 1 0.869 . . 2 . . . . . . . . 6167 1
91 . 1 1 11 11 LEU CD2 C 13 23.34 . . 2 . . . . . . . . 6167 1
92 . 1 1 11 11 LEU HD21 H 1 0.789 . . 2 . . . . . . . . 6167 1
93 . 1 1 11 11 LEU HD22 H 1 0.789 . . 2 . . . . . . . . 6167 1
94 . 1 1 11 11 LEU HD23 H 1 0.789 . . 2 . . . . . . . . 6167 1
95 . 1 1 11 11 LEU HG H 1 1.506 . . 1 . . . . . . . . 6167 1
96 . 1 1 11 11 LEU HB2 H 1 1.55 . . 1 . . . . . . . . 6167 1
97 . 1 1 12 12 ASP H H 1 8.1890 . . 1 . . . . . . . . 6167 1
98 . 1 1 12 12 ASP N N 15 121.3760 . . 1 . . . . . . . . 6167 1
99 . 1 1 12 12 ASP CA C 13 51.6500 . . 1 . . . . . . . . 6167 1
100 . 1 1 12 12 ASP HA H 1 4.92 . . 1 . . . . . . . . 6167 1
101 . 1 1 12 12 ASP CB C 13 41.91 . . 1 . . . . . . . . 6167 1
102 . 1 1 12 12 ASP HB3 H 1 2.640 . . 2 . . . . . . . . 6167 1
103 . 1 1 12 12 ASP HB2 H 1 2.826 . . 2 . . . . . . . . 6167 1
104 . 1 1 13 13 PRO CA C 13 64.221 . . 1 . . . . . . . . 6167 1
105 . 1 1 13 13 PRO HA H 1 4.518 . . 1 . . . . . . . . 6167 1
106 . 1 1 13 13 PRO C C 13 177.4450 . . 1 . . . . . . . . 6167 1
107 . 1 1 13 13 PRO CB C 13 32.26 . . 1 . . . . . . . . 6167 1
108 . 1 1 13 13 PRO HB3 H 1 2.013 . . 2 . . . . . . . . 6167 1
109 . 1 1 13 13 PRO CG C 13 27.16 . . 1 . . . . . . . . 6167 1
110 . 1 1 13 13 PRO CD C 13 51.18 . . 1 . . . . . . . . 6167 1
111 . 1 1 13 13 PRO HB2 H 1 2.34 . . 2 . . . . . . . . 6167 1
112 . 1 1 13 13 PRO HG2 H 1 2.028 . . 1 . . . . . . . . 6167 1
113 . 1 1 13 13 PRO HD2 H 1 3.933 . . 1 . . . . . . . . 6167 1
114 . 1 1 14 14 ASN H H 1 8.5420 . . 1 . . . . . . . . 6167 1
115 . 1 1 14 14 ASN N N 15 115.7010 . . 1 . . . . . . . . 6167 1
116 . 1 1 14 14 ASN CA C 13 54.18 . . 1 . . . . . . . . 6167 1
117 . 1 1 14 14 ASN HA H 1 4.700 . . 1 . . . . . . . . 6167 1
118 . 1 1 14 14 ASN C C 13 175.5410 . . 1 . . . . . . . . 6167 1
119 . 1 1 14 14 ASN CB C 13 38.74 . . 1 . . . . . . . . 6167 1
120 . 1 1 14 14 ASN ND2 N 15 114.41 . . 1 . . . . . . . . 6167 1
121 . 1 1 14 14 ASN HD21 H 1 7.873 . . 2 . . . . . . . . 6167 1
122 . 1 1 14 14 ASN HD22 H 1 6.976 . . 2 . . . . . . . . 6167 1
123 . 1 1 14 14 ASN HB2 H 1 2.846 . . 1 . . . . . . . . 6167 1
124 . 1 1 15 15 ARG H H 1 7.7540 . . 1 . . . . . . . . 6167 1
125 . 1 1 15 15 ARG N N 15 118.8700 . . 1 . . . . . . . . 6167 1
126 . 1 1 15 15 ARG CA C 13 56.3570 . . 1 . . . . . . . . 6167 1
127 . 1 1 15 15 ARG HA H 1 4.304 . . 1 . . . . . . . . 6167 1
128 . 1 1 15 15 ARG CB C 13 31.3560 . . 1 . . . . . . . . 6167 1
129 . 1 1 15 15 ARG CG C 13 27.105 . . 1 . . . . . . . . 6167 1
130 . 1 1 15 15 ARG CD C 13 43.232 . . 1 . . . . . . . . 6167 1
131 . 1 1 15 15 ARG HB2 H 1 1.753 . . 1 . . . . . . . . 6167 1
132 . 1 1 15 15 ARG HG2 H 1 1.497 . . 1 . . . . . . . . 6167 1
133 . 1 1 15 15 ARG HD3 H 1 3.214 . . 1 . . . . . . . . 6167 1
134 . 1 1 16 16 PHE H H 1 7.77 . . 1 . . . . . . . . 6167 1
135 . 1 1 16 16 PHE CA C 13 57.7980 . . 1 . . . . . . . . 6167 1
136 . 1 1 16 16 PHE CB C 13 40.3260 . . 1 . . . . . . . . 6167 1
137 . 1 1 17 17 ASN H H 1 8.1658 . . 1 . . . . . . . . 6167 1
138 . 1 1 17 17 ASN N N 15 123.5323 . . 1 . . . . . . . . 6167 1
139 . 1 1 17 17 ASN CA C 13 50.37 . . 1 . . . . . . . . 6167 1
140 . 1 1 17 17 ASN HA H 1 5.04 . . 1 . . . . . . . . 6167 1
141 . 1 1 17 17 ASN CB C 13 39.463 . . 1 . . . . . . . . 6167 1
142 . 1 1 17 17 ASN HB3 H 1 2.791 . . 2 . . . . . . . . 6167 1
143 . 1 1 17 17 ASN ND2 N 15 113.06 . . 1 . . . . . . . . 6167 1
144 . 1 1 17 17 ASN HD21 H 1 7.718 . . 2 . . . . . . . . 6167 1
145 . 1 1 17 17 ASN HD22 H 1 6.991 . . 2 . . . . . . . . 6167 1
146 . 1 1 17 17 ASN HB2 H 1 3.069 . . 2 . . . . . . . . 6167 1
147 . 1 1 18 18 PRO CA C 13 65.376 . . 1 . . . . . . . . 6167 1
148 . 1 1 18 18 PRO HA H 1 4.210 . . 1 . . . . . . . . 6167 1
149 . 1 1 18 18 PRO C C 13 177.6470 . . 1 . . . . . . . . 6167 1
150 . 1 1 18 18 PRO CB C 13 32.73 . . 1 . . . . . . . . 6167 1
151 . 1 1 18 18 PRO HB3 H 1 1.981 . . 2 . . . . . . . . 6167 1
152 . 1 1 18 18 PRO CG C 13 27.44 . . 1 . . . . . . . . 6167 1
153 . 1 1 18 18 PRO CD C 13 51.05 . . 1 . . . . . . . . 6167 1
154 . 1 1 18 18 PRO HB2 H 1 2.302 . . 2 . . . . . . . . 6167 1
155 . 1 1 18 18 PRO HG2 H 1 2.020 . . 1 . . . . . . . . 6167 1
156 . 1 1 18 18 PRO HD2 H 1 3.876 . . 1 . . . . . . . . 6167 1
157 . 1 1 19 19 LYS H H 1 7.9770 . . 1 . . . . . . . . 6167 1
158 . 1 1 19 19 LYS N N 15 116.8150 . . 1 . . . . . . . . 6167 1
159 . 1 1 19 19 LYS CA C 13 60.4090 . . 1 . . . . . . . . 6167 1
160 . 1 1 19 19 LYS HA H 1 4.084 . . 1 . . . . . . . . 6167 1
161 . 1 1 19 19 LYS C C 13 177.8990 . . 1 . . . . . . . . 6167 1
162 . 1 1 19 19 LYS CB C 13 32.3620 . . 1 . . . . . . . . 6167 1
163 . 1 1 19 19 LYS HB3 H 1 1.912 . . 2 . . . . . . . . 6167 1
164 . 1 1 19 19 LYS CG C 13 25.99 . . 1 . . . . . . . . 6167 1
165 . 1 1 19 19 LYS CD C 13 29.45 . . 1 . . . . . . . . 6167 1
166 . 1 1 19 19 LYS CE C 13 42.002 . . 1 . . . . . . . . 6167 1
167 . 1 1 19 19 LYS HB2 H 1 1.996 . . 2 . . . . . . . . 6167 1
168 . 1 1 19 19 LYS HG2 H 1 1.501 . . 1 . . . . . . . . 6167 1
169 . 1 1 19 19 LYS HD2 H 1 1.761 . . 1 . . . . . . . . 6167 1
170 . 1 1 19 19 LYS HE2 H 1 2.971 . . 1 . . . . . . . . 6167 1
171 . 1 1 20 20 THR H H 1 7.5520 . . 1 . . . . . . . . 6167 1
172 . 1 1 20 20 THR N N 15 113.2420 . . 1 . . . . . . . . 6167 1
173 . 1 1 20 20 THR CA C 13 65.9950 . . 1 . . . . . . . . 6167 1
174 . 1 1 20 20 THR HA H 1 3.92 . . 1 . . . . . . . . 6167 1
175 . 1 1 20 20 THR C C 13 176.1250 . . 1 . . . . . . . . 6167 1
176 . 1 1 20 20 THR CB C 13 68.3960 . . 1 . . . . . . . . 6167 1
177 . 1 1 20 20 THR HB H 1 4.254 . . 1 . . . . . . . . 6167 1
178 . 1 1 20 20 THR CG2 C 13 22.44 . . 1 . . . . . . . . 6167 1
179 . 1 1 20 20 THR HG21 H 1 1.280 . . 1 . . . . . . . . 6167 1
180 . 1 1 20 20 THR HG22 H 1 1.280 . . 1 . . . . . . . . 6167 1
181 . 1 1 20 20 THR HG23 H 1 1.280 . . 1 . . . . . . . . 6167 1
182 . 1 1 21 21 PHE H H 1 8.0090 . . 1 . . . . . . . . 6167 1
183 . 1 1 21 21 PHE N N 15 121.9110 . . 1 . . . . . . . . 6167 1
184 . 1 1 21 21 PHE CA C 13 61.8510 . . 1 . . . . . . . . 6167 1
185 . 1 1 21 21 PHE HA H 1 4.113 . . 1 . . . . . . . . 6167 1
186 . 1 1 21 21 PHE CB C 13 40.0930 . . 1 . . . . . . . . 6167 1
187 . 1 1 21 21 PHE CD1 C 13 132.21 . . 1 . . . . . . . . 6167 1
188 . 1 1 21 21 PHE HD1 H 1 7.191 . . 1 . . . . . . . . 6167 1
189 . 1 1 21 21 PHE CD2 C 13 132.21 . . 1 . . . . . . . . 6167 1
190 . 1 1 21 21 PHE HD2 H 1 7.191 . . 1 . . . . . . . . 6167 1
191 . 1 1 21 21 PHE CE1 C 13 131.276 . . 1 . . . . . . . . 6167 1
192 . 1 1 21 21 PHE HE1 H 1 7.116 . . 1 . . . . . . . . 6167 1
193 . 1 1 21 21 PHE CE2 C 13 131.276 . . 1 . . . . . . . . 6167 1
194 . 1 1 21 21 PHE HE2 H 1 7.116 . . 1 . . . . . . . . 6167 1
195 . 1 1 21 21 PHE CZ C 13 130.22 . . 1 . . . . . . . . 6167 1
196 . 1 1 21 21 PHE HZ H 1 7.014 . . 1 . . . . . . . . 6167 1
197 . 1 1 21 21 PHE HB2 H 1 3.195 . . 1 . . . . . . . . 6167 1
198 . 1 1 22 22 PHE CA C 13 62.5860 . . 1 . . . . . . . . 6167 1
199 . 1 1 22 22 PHE HA H 1 3.3668 . . 1 . . . . . . . . 6167 1
200 . 1 1 22 22 PHE C C 13 176.7230 . . 1 . . . . . . . . 6167 1
201 . 1 1 22 22 PHE CB C 13 39.6170 . . 1 . . . . . . . . 6167 1
202 . 1 1 22 22 PHE HB3 H 1 2.798 . . 2 . . . . . . . . 6167 1
203 . 1 1 22 22 PHE CD1 C 13 131.6 . . 1 . . . . . . . . 6167 1
204 . 1 1 22 22 PHE HD1 H 1 6.687 . . 1 . . . . . . . . 6167 1
205 . 1 1 22 22 PHE CD2 C 13 131.6 . . 1 . . . . . . . . 6167 1
206 . 1 1 22 22 PHE HD2 H 1 6.687 . . 1 . . . . . . . . 6167 1
207 . 1 1 22 22 PHE CE1 C 13 130.91 . . 1 . . . . . . . . 6167 1
208 . 1 1 22 22 PHE HE1 H 1 6.939 . . 1 . . . . . . . . 6167 1
209 . 1 1 22 22 PHE CE2 C 13 130.91 . . 1 . . . . . . . . 6167 1
210 . 1 1 22 22 PHE HE2 H 1 6.939 . . 1 . . . . . . . . 6167 1
211 . 1 1 22 22 PHE CZ C 13 130.13 . . 1 . . . . . . . . 6167 1
212 . 1 1 22 22 PHE HZ H 1 7.204 . . 1 . . . . . . . . 6167 1
213 . 1 1 22 22 PHE HB2 H 1 3.363 . . 2 . . . . . . . . 6167 1
214 . 1 1 23 23 ILE H H 1 8.1150 . . 1 . . . . . . . . 6167 1
215 . 1 1 23 23 ILE N N 15 116.6680 . . 1 . . . . . . . . 6167 1
216 . 1 1 23 23 ILE CA C 13 64.8400 . . 1 . . . . . . . . 6167 1
217 . 1 1 23 23 ILE HA H 1 3.780 . . 1 . . . . . . . . 6167 1
218 . 1 1 23 23 ILE C C 13 178.8740 . . 1 . . . . . . . . 6167 1
219 . 1 1 23 23 ILE CB C 13 38.5190 . . 1 . . . . . . . . 6167 1
220 . 1 1 23 23 ILE HB H 1 1.944 . . 1 . . . . . . . . 6167 1
221 . 1 1 23 23 ILE CG2 C 13 16.91 . . 1 . . . . . . . . 6167 1
222 . 1 1 23 23 ILE HG21 H 1 0.993 . . 1 . . . . . . . . 6167 1
223 . 1 1 23 23 ILE HG22 H 1 0.993 . . 1 . . . . . . . . 6167 1
224 . 1 1 23 23 ILE HG23 H 1 0.993 . . 1 . . . . . . . . 6167 1
225 . 1 1 23 23 ILE CG1 C 13 29.25 . . 1 . . . . . . . . 6167 1
226 . 1 1 23 23 ILE HG13 H 1 1.414 . . 2 . . . . . . . . 6167 1
227 . 1 1 23 23 ILE CD1 C 13 13.75 . . 1 . . . . . . . . 6167 1
228 . 1 1 23 23 ILE HD11 H 1 0.927 . . 1 . . . . . . . . 6167 1
229 . 1 1 23 23 ILE HD12 H 1 0.927 . . 1 . . . . . . . . 6167 1
230 . 1 1 23 23 ILE HD13 H 1 0.927 . . 1 . . . . . . . . 6167 1
231 . 1 1 23 23 ILE HG12 H 1 1.947 . . 2 . . . . . . . . 6167 1
232 . 1 1 24 24 LEU H H 1 7.7070 . . 1 . . . . . . . . 6167 1
233 . 1 1 24 24 LEU N N 15 118.2200 . . 1 . . . . . . . . 6167 1
234 . 1 1 24 24 LEU CA C 13 56.75 . . 1 . . . . . . . . 6167 1
235 . 1 1 24 24 LEU HA H 1 3.848 . . 1 . . . . . . . . 6167 1
236 . 1 1 24 24 LEU C C 13 177.9870 . . 1 . . . . . . . . 6167 1
237 . 1 1 24 24 LEU CB C 13 41.784 . . 1 . . . . . . . . 6167 1
238 . 1 1 24 24 LEU HB3 H 1 1.151 . . 2 . . . . . . . . 6167 1
239 . 1 1 24 24 LEU CG C 13 26.38 . . 1 . . . . . . . . 6167 1
240 . 1 1 24 24 LEU CD1 C 13 24.344 . . 2 . . . . . . . . 6167 1
241 . 1 1 24 24 LEU HD11 H 1 0.735 . . 2 . . . . . . . . 6167 1
242 . 1 1 24 24 LEU HD12 H 1 0.735 . . 2 . . . . . . . . 6167 1
243 . 1 1 24 24 LEU HD13 H 1 0.735 . . 2 . . . . . . . . 6167 1
244 . 1 1 24 24 LEU CD2 C 13 24.096 . . 2 . . . . . . . . 6167 1
245 . 1 1 24 24 LEU HD21 H 1 0.666 . . 2 . . . . . . . . 6167 1
246 . 1 1 24 24 LEU HD22 H 1 0.666 . . 2 . . . . . . . . 6167 1
247 . 1 1 24 24 LEU HD23 H 1 0.666 . . 2 . . . . . . . . 6167 1
248 . 1 1 24 24 LEU HG H 1 1.206 . . 1 . . . . . . . . 6167 1
249 . 1 1 24 24 LEU HB2 H 1 1.436 . . 2 . . . . . . . . 6167 1
250 . 1 1 25 25 HIS H H 1 6.8640 . . 1 . . . . . . . . 6167 1
251 . 1 1 25 25 HIS N N 15 113.1480 . . 1 . . . . . . . . 6167 1
252 . 1 1 25 25 HIS CA C 13 57.7670 . . 1 . . . . . . . . 6167 1
253 . 1 1 25 25 HIS HA H 1 4.214 . . 1 . . . . . . . . 6167 1
254 . 1 1 25 25 HIS C C 13 173.7770 . . 1 . . . . . . . . 6167 1
255 . 1 1 25 25 HIS CB C 13 29.9040 . . 1 . . . . . . . . 6167 1
256 . 1 1 25 25 HIS CD2 C 13 119.816 . . 1 . . . . . . . . 6167 1
257 . 1 1 25 25 HIS HD2 H 1 7.095 . . 1 . . . . . . . . 6167 1
258 . 1 1 25 25 HIS HB2 H 1 2.072 . . 1 . . . . . . . . 6167 1
259 . 1 1 26 26 ASP H H 1 7.3660 . . 1 . . . . . . . . 6167 1
260 . 1 1 26 26 ASP N N 15 122.2690 . . 1 . . . . . . . . 6167 1
261 . 1 1 26 26 ASP CA C 13 52.1360 . . 1 . . . . . . . . 6167 1
262 . 1 1 26 26 ASP HA H 1 4.392 . . 1 . . . . . . . . 6167 1
263 . 1 1 26 26 ASP C C 13 177.4550 . . 1 . . . . . . . . 6167 1
264 . 1 1 26 26 ASP CB C 13 38.1 . . 1 . . . . . . . . 6167 1
265 . 1 1 26 26 ASP HB3 H 1 1.879 . . 2 . . . . . . . . 6167 1
266 . 1 1 26 26 ASP HB2 H 1 2.794 . . 2 . . . . . . . . 6167 1
267 . 1 1 27 27 ILE H H 1 7.2070 . . 1 . . . . . . . . 6167 1
268 . 1 1 27 27 ILE N N 15 122.8570 . . 1 . . . . . . . . 6167 1
269 . 1 1 27 27 ILE CA C 13 63.78 . . 1 . . . . . . . . 6167 1
270 . 1 1 27 27 ILE HA H 1 3.68 . . 1 . . . . . . . . 6167 1
271 . 1 1 27 27 ILE C C 13 177.4630 . . 1 . . . . . . . . 6167 1
272 . 1 1 27 27 ILE CB C 13 37.2740 . . 1 . . . . . . . . 6167 1
273 . 1 1 27 27 ILE HB H 1 1.987 . . 1 . . . . . . . . 6167 1
274 . 1 1 27 27 ILE CG2 C 13 17.39 . . 1 . . . . . . . . 6167 1
275 . 1 1 27 27 ILE HG21 H 1 0.933 . . 1 . . . . . . . . 6167 1
276 . 1 1 27 27 ILE HG22 H 1 0.933 . . 1 . . . . . . . . 6167 1
277 . 1 1 27 27 ILE HG23 H 1 0.933 . . 1 . . . . . . . . 6167 1
278 . 1 1 27 27 ILE CG1 C 13 27.808 . . 1 . . . . . . . . 6167 1
279 . 1 1 27 27 ILE HG13 H 1 1.381 . . 2 . . . . . . . . 6167 1
280 . 1 1 27 27 ILE CD1 C 13 11.67 . . 1 . . . . . . . . 6167 1
281 . 1 1 27 27 ILE HD11 H 1 0.862 . . 1 . . . . . . . . 6167 1
282 . 1 1 27 27 ILE HD12 H 1 0.862 . . 1 . . . . . . . . 6167 1
283 . 1 1 27 27 ILE HD13 H 1 0.862 . . 1 . . . . . . . . 6167 1
284 . 1 1 27 27 ILE HG12 H 1 1.57 . . 2 . . . . . . . . 6167 1
285 . 1 1 28 28 ASN H H 1 7.8150 . . 1 . . . . . . . . 6167 1
286 . 1 1 28 28 ASN N N 15 114.3420 . . 1 . . . . . . . . 6167 1
287 . 1 1 28 28 ASN CA C 13 51.5140 . . 1 . . . . . . . . 6167 1
288 . 1 1 28 28 ASN HA H 1 4.784 . . 1 . . . . . . . . 6167 1
289 . 1 1 28 28 ASN C C 13 174.8020 . . 1 . . . . . . . . 6167 1
290 . 1 1 28 28 ASN CB C 13 37.1580 . . 1 . . . . . . . . 6167 1
291 . 1 1 28 28 ASN HB3 H 1 2.766 . . 2 . . . . . . . . 6167 1
292 . 1 1 28 28 ASN ND2 N 15 112.36 . . 1 . . . . . . . . 6167 1
293 . 1 1 28 28 ASN HD21 H 1 7.783 . . 2 . . . . . . . . 6167 1
294 . 1 1 28 28 ASN HD22 H 1 6.709 . . 2 . . . . . . . . 6167 1
295 . 1 1 28 28 ASN HB2 H 1 3.287 . . 2 . . . . . . . . 6167 1
296 . 1 1 29 29 SER H H 1 7.8160 . . 1 . . . . . . . . 6167 1
297 . 1 1 29 29 SER N N 15 111.9930 . . 1 . . . . . . . . 6167 1
298 . 1 1 29 29 SER CA C 13 58.9840 . . 1 . . . . . . . . 6167 1
299 . 1 1 29 29 SER HA H 1 4.020 . . 1 . . . . . . . . 6167 1
300 . 1 1 29 29 SER C C 13 174.0370 . . 1 . . . . . . . . 6167 1
301 . 1 1 29 29 SER CB C 13 61.7130 . . 1 . . . . . . . . 6167 1
302 . 1 1 29 29 SER HB3 H 1 3.850 . . 2 . . . . . . . . 6167 1
303 . 1 1 29 29 SER HB2 H 1 4.094 . . 2 . . . . . . . . 6167 1
304 . 1 1 30 30 ASP H H 1 8.2240 . . 1 . . . . . . . . 6167 1
305 . 1 1 30 30 ASP N N 15 118.1340 . . 1 . . . . . . . . 6167 1
306 . 1 1 30 30 ASP CA C 13 52.6870 . . 1 . . . . . . . . 6167 1
307 . 1 1 30 30 ASP HA H 1 4.710 . . 1 . . . . . . . . 6167 1
308 . 1 1 30 30 ASP C C 13 178.0890 . . 1 . . . . . . . . 6167 1
309 . 1 1 30 30 ASP CB C 13 40.6 . . 1 . . . . . . . . 6167 1
310 . 1 1 30 30 ASP HB3 H 1 2.402 . . 2 . . . . . . . . 6167 1
311 . 1 1 30 30 ASP HB2 H 1 3.096 . . 2 . . . . . . . . 6167 1
312 . 1 1 31 31 GLY H H 1 10.5890 . . 1 . . . . . . . . 6167 1
313 . 1 1 31 31 GLY N N 15 112.5070 . . 1 . . . . . . . . 6167 1
314 . 1 1 31 31 GLY CA C 13 45.5650 . . 1 . . . . . . . . 6167 1
315 . 1 1 31 31 GLY HA3 H 1 3.694 . . 2 . . . . . . . . 6167 1
316 . 1 1 31 31 GLY C C 13 173.7380 . . 1 . . . . . . . . 6167 1
317 . 1 1 31 31 GLY HA2 H 1 4.374 . . 2 . . . . . . . . 6167 1
318 . 1 1 32 32 VAL H H 1 7.9320 . . 1 . . . . . . . . 6167 1
319 . 1 1 32 32 VAL N N 15 114.1340 . . 1 . . . . . . . . 6167 1
320 . 1 1 32 32 VAL CA C 13 58.93 . . 1 . . . . . . . . 6167 1
321 . 1 1 32 32 VAL HA H 1 5.240 . . 1 . . . . . . . . 6167 1
322 . 1 1 32 32 VAL C C 13 174.5720 . . 1 . . . . . . . . 6167 1
323 . 1 1 32 32 VAL CB C 13 36.28 . . 1 . . . . . . . . 6167 1
324 . 1 1 32 32 VAL HB H 1 1.852 . . 1 . . . . . . . . 6167 1
325 . 1 1 32 32 VAL CG1 C 13 22.775 . . 2 . . . . . . . . 6167 1
326 . 1 1 32 32 VAL HG11 H 1 0.882 . . 2 . . . . . . . . 6167 1
327 . 1 1 32 32 VAL HG12 H 1 0.882 . . 2 . . . . . . . . 6167 1
328 . 1 1 32 32 VAL HG13 H 1 0.882 . . 2 . . . . . . . . 6167 1
329 . 1 1 32 32 VAL CG2 C 13 20.307 . . 2 . . . . . . . . 6167 1
330 . 1 1 32 32 VAL HG21 H 1 0.845 . . 2 . . . . . . . . 6167 1
331 . 1 1 32 32 VAL HG22 H 1 0.845 . . 2 . . . . . . . . 6167 1
332 . 1 1 32 32 VAL HG23 H 1 0.845 . . 2 . . . . . . . . 6167 1
333 . 1 1 33 33 LEU H H 1 9.4830 . . 1 . . . . . . . . 6167 1
334 . 1 1 33 33 LEU N N 15 124.9480 . . 1 . . . . . . . . 6167 1
335 . 1 1 33 33 LEU CA C 13 52.698 . . 1 . . . . . . . . 6167 1
336 . 1 1 33 33 LEU HA H 1 5.382 . . 1 . . . . . . . . 6167 1
337 . 1 1 33 33 LEU C C 13 176.0850 . . 1 . . . . . . . . 6167 1
338 . 1 1 33 33 LEU CB C 13 42.0650 . . 1 . . . . . . . . 6167 1
339 . 1 1 33 33 LEU HB3 H 1 0.928 . . 2 . . . . . . . . 6167 1
340 . 1 1 33 33 LEU CG C 13 25.54 . . 1 . . . . . . . . 6167 1
341 . 1 1 33 33 LEU CD1 C 13 25.33 . . 2 . . . . . . . . 6167 1
342 . 1 1 33 33 LEU HD11 H 1 0.244 . . 2 . . . . . . . . 6167 1
343 . 1 1 33 33 LEU HD12 H 1 0.244 . . 2 . . . . . . . . 6167 1
344 . 1 1 33 33 LEU HD13 H 1 0.244 . . 2 . . . . . . . . 6167 1
345 . 1 1 33 33 LEU CD2 C 13 22.19 . . 2 . . . . . . . . 6167 1
346 . 1 1 33 33 LEU HD21 H 1 0.060 . . 2 . . . . . . . . 6167 1
347 . 1 1 33 33 LEU HD22 H 1 0.060 . . 2 . . . . . . . . 6167 1
348 . 1 1 33 33 LEU HD23 H 1 0.060 . . 2 . . . . . . . . 6167 1
349 . 1 1 33 33 LEU HG H 1 1.057 . . 1 . . . . . . . . 6167 1
350 . 1 1 33 33 LEU HB2 H 1 1.818 . . 2 . . . . . . . . 6167 1
351 . 1 1 34 34 ASP H H 1 8.6190 . . 1 . . . . . . . . 6167 1
352 . 1 1 34 34 ASP N N 15 123.5900 . . 1 . . . . . . . . 6167 1
353 . 1 1 34 34 ASP CA C 13 51.48 . . 1 . . . . . . . . 6167 1
354 . 1 1 34 34 ASP HA H 1 4.959 . . 1 . . . . . . . . 6167 1
355 . 1 1 34 34 ASP C C 13 175.8680 . . 1 . . . . . . . . 6167 1
356 . 1 1 34 34 ASP CB C 13 41.88 . . 1 . . . . . . . . 6167 1
357 . 1 1 34 34 ASP HB3 H 1 2.502 . . 2 . . . . . . . . 6167 1
358 . 1 1 34 34 ASP HB2 H 1 3.339 . . 2 . . . . . . . . 6167 1
359 . 1 1 35 35 GLU H H 1 8.6510 . . 1 . . . . . . . . 6167 1
360 . 1 1 35 35 GLU N N 15 115.5820 . . 1 . . . . . . . . 6167 1
361 . 1 1 35 35 GLU CA C 13 60.9100 . . 1 . . . . . . . . 6167 1
362 . 1 1 35 35 GLU HA H 1 3.952 . . 1 . . . . . . . . 6167 1
363 . 1 1 35 35 GLU C C 13 178.7580 . . 1 . . . . . . . . 6167 1
364 . 1 1 35 35 GLU CB C 13 30.2700 . . 1 . . . . . . . . 6167 1
365 . 1 1 35 35 GLU HB3 H 1 2.148 . . 2 . . . . . . . . 6167 1
366 . 1 1 35 35 GLU CG C 13 37.23 . . 1 . . . . . . . . 6167 1
367 . 1 1 35 35 GLU HG3 H 1 2.329 . . 2 . . . . . . . . 6167 1
368 . 1 1 35 35 GLU HB2 H 1 2.199 . . 2 . . . . . . . . 6167 1
369 . 1 1 35 35 GLU HG2 H 1 2.543 . . 2 . . . . . . . . 6167 1
370 . 1 1 36 36 GLN H H 1 8.0310 . . 1 . . . . . . . . 6167 1
371 . 1 1 36 36 GLN N N 15 117.9620 . . 1 . . . . . . . . 6167 1
372 . 1 1 36 36 GLN CA C 13 59.25 . . 1 . . . . . . . . 6167 1
373 . 1 1 36 36 GLN HA H 1 4.133 . . 1 . . . . . . . . 6167 1
374 . 1 1 36 36 GLN C C 13 179.9140 . . 1 . . . . . . . . 6167 1
375 . 1 1 36 36 GLN CB C 13 28.1100 . . 1 . . . . . . . . 6167 1
376 . 1 1 36 36 GLN HB3 H 1 2.171 . . 2 . . . . . . . . 6167 1
377 . 1 1 36 36 GLN CG C 13 34.44 . . 1 . . . . . . . . 6167 1
378 . 1 1 36 36 GLN NE2 N 15 112.20 . . 1 . . . . . . . . 6167 1
379 . 1 1 36 36 GLN HE21 H 1 7.601 . . 2 . . . . . . . . 6167 1
380 . 1 1 36 36 GLN HE22 H 1 6.813 . . 2 . . . . . . . . 6167 1
381 . 1 1 36 36 GLN HB2 H 1 2.26 . . 2 . . . . . . . . 6167 1
382 . 1 1 36 36 GLN HG2 H 1 2.428 . . 1 . . . . . . . . 6167 1
383 . 1 1 37 37 GLU H H 1 8.6930 . . 1 . . . . . . . . 6167 1
384 . 1 1 37 37 GLU N N 15 122.6510 . . 1 . . . . . . . . 6167 1
385 . 1 1 37 37 GLU CA C 13 58.6700 . . 1 . . . . . . . . 6167 1
386 . 1 1 37 37 GLU HA H 1 4.082 . . 1 . . . . . . . . 6167 1
387 . 1 1 37 37 GLU C C 13 180.9700 . . 1 . . . . . . . . 6167 1
388 . 1 1 37 37 GLU CB C 13 29.8280 . . 1 . . . . . . . . 6167 1
389 . 1 1 37 37 GLU HB3 H 1 1.953 . . 2 . . . . . . . . 6167 1
390 . 1 1 37 37 GLU CG C 13 36.792 . . 1 . . . . . . . . 6167 1
391 . 1 1 37 37 GLU HG3 H 1 2.22 . . 2 . . . . . . . . 6167 1
392 . 1 1 37 37 GLU HB2 H 1 2.38 . . 2 . . . . . . . . 6167 1
393 . 1 1 37 37 GLU HG2 H 1 2.849 . . 2 . . . . . . . . 6167 1
394 . 1 1 38 38 LEU H H 1 8.9080 . . 1 . . . . . . . . 6167 1
395 . 1 1 38 38 LEU N N 15 121.1250 . . 1 . . . . . . . . 6167 1
396 . 1 1 38 38 LEU CA C 13 57.57 . . 1 . . . . . . . . 6167 1
397 . 1 1 38 38 LEU HA H 1 3.674 . . 1 . . . . . . . . 6167 1
398 . 1 1 38 38 LEU C C 13 176.9350 . . 1 . . . . . . . . 6167 1
399 . 1 1 38 38 LEU CB C 13 41.7 . . 1 . . . . . . . . 6167 1
400 . 1 1 38 38 LEU HB3 H 1 1.185 . . 2 . . . . . . . . 6167 1
401 . 1 1 38 38 LEU CG C 13 27.02 . . 1 . . . . . . . . 6167 1
402 . 1 1 38 38 LEU CD1 C 13 23.876 . . 2 . . . . . . . . 6167 1
403 . 1 1 38 38 LEU HD11 H 1 0.834 . . 2 . . . . . . . . 6167 1
404 . 1 1 38 38 LEU HD12 H 1 0.834 . . 2 . . . . . . . . 6167 1
405 . 1 1 38 38 LEU HD13 H 1 0.834 . . 2 . . . . . . . . 6167 1
406 . 1 1 38 38 LEU CD2 C 13 25.925 . . 2 . . . . . . . . 6167 1
407 . 1 1 38 38 LEU HD21 H 1 0.830 . . 2 . . . . . . . . 6167 1
408 . 1 1 38 38 LEU HD22 H 1 0.830 . . 2 . . . . . . . . 6167 1
409 . 1 1 38 38 LEU HD23 H 1 0.830 . . 2 . . . . . . . . 6167 1
410 . 1 1 38 38 LEU HG H 1 1.539 . . 1 . . . . . . . . 6167 1
411 . 1 1 38 38 LEU HB2 H 1 1.857 . . 2 . . . . . . . . 6167 1
412 . 1 1 39 39 GLU H H 1 7.8270 . . 1 . . . . . . . . 6167 1
413 . 1 1 39 39 GLU N N 15 116.2290 . . 1 . . . . . . . . 6167 1
414 . 1 1 39 39 GLU CA C 13 59.22 . . 1 . . . . . . . . 6167 1
415 . 1 1 39 39 GLU HA H 1 3.921 . . 1 . . . . . . . . 6167 1
416 . 1 1 39 39 GLU C C 13 179.6310 . . 1 . . . . . . . . 6167 1
417 . 1 1 39 39 GLU CB C 13 28.9640 . . 1 . . . . . . . . 6167 1
418 . 1 1 39 39 GLU CG C 13 36.032 . . 1 . . . . . . . . 6167 1
419 . 1 1 39 39 GLU HB2 H 1 2.132 . . 1 . . . . . . . . 6167 1
420 . 1 1 39 39 GLU HG2 H 1 2.507 . . 1 . . . . . . . . 6167 1
421 . 1 1 40 40 ALA H H 1 7.5500 . . 1 . . . . . . . . 6167 1
422 . 1 1 40 40 ALA N N 15 120.4720 . . 1 . . . . . . . . 6167 1
423 . 1 1 40 40 ALA CA C 13 54.74 . . 1 . . . . . . . . 6167 1
424 . 1 1 40 40 ALA HA H 1 4.208 . . 1 . . . . . . . . 6167 1
425 . 1 1 40 40 ALA C C 13 179.7800 . . 1 . . . . . . . . 6167 1
426 . 1 1 40 40 ALA CB C 13 18.135 . . 1 . . . . . . . . 6167 1
427 . 1 1 40 40 ALA HB1 H 1 1.538 . . 1 . . . . . . . . 6167 1
428 . 1 1 40 40 ALA HB2 H 1 1.538 . . 1 . . . . . . . . 6167 1
429 . 1 1 40 40 ALA HB3 H 1 1.538 . . 1 . . . . . . . . 6167 1
430 . 1 1 41 41 LEU H H 1 7.5610 . . 1 . . . . . . . . 6167 1
431 . 1 1 41 41 LEU N N 15 122.0020 . . 1 . . . . . . . . 6167 1
432 . 1 1 41 41 LEU CA C 13 59.09 . . 1 . . . . . . . . 6167 1
433 . 1 1 41 41 LEU HA H 1 3.911 . . 1 . . . . . . . . 6167 1
434 . 1 1 41 41 LEU C C 13 178.8350 . . 1 . . . . . . . . 6167 1
435 . 1 1 41 41 LEU CB C 13 41.619 . . 1 . . . . . . . . 6167 1
436 . 1 1 41 41 LEU HB3 H 1 1.384 . . 2 . . . . . . . . 6167 1
437 . 1 1 41 41 LEU CG C 13 26.94 . . 1 . . . . . . . . 6167 1
438 . 1 1 41 41 LEU CD1 C 13 24.878 . . 2 . . . . . . . . 6167 1
439 . 1 1 41 41 LEU HD11 H 1 0.734 . . 2 . . . . . . . . 6167 1
440 . 1 1 41 41 LEU HD12 H 1 0.734 . . 2 . . . . . . . . 6167 1
441 . 1 1 41 41 LEU HD13 H 1 0.734 . . 2 . . . . . . . . 6167 1
442 . 1 1 41 41 LEU CD2 C 13 26.003 . . 2 . . . . . . . . 6167 1
443 . 1 1 41 41 LEU HD21 H 1 0.437 . . 2 . . . . . . . . 6167 1
444 . 1 1 41 41 LEU HD22 H 1 0.437 . . 2 . . . . . . . . 6167 1
445 . 1 1 41 41 LEU HD23 H 1 0.437 . . 2 . . . . . . . . 6167 1
446 . 1 1 41 41 LEU HG H 1 1.125 . . 1 . . . . . . . . 6167 1
447 . 1 1 41 41 LEU HB2 H 1 1.824 . . 2 . . . . . . . . 6167 1
448 . 1 1 42 42 PHE H H 1 8.5180 . . 1 . . . . . . . . 6167 1
449 . 1 1 42 42 PHE N N 15 118.0200 . . 1 . . . . . . . . 6167 1
450 . 1 1 42 42 PHE CA C 13 58.62 . . 1 . . . . . . . . 6167 1
451 . 1 1 42 42 PHE HA H 1 4.518 . . 1 . . . . . . . . 6167 1
452 . 1 1 42 42 PHE C C 13 178.2740 . . 1 . . . . . . . . 6167 1
453 . 1 1 42 42 PHE CB C 13 37.2490 . . 1 . . . . . . . . 6167 1
454 . 1 1 42 42 PHE CD1 C 13 131.5 . . 1 . . . . . . . . 6167 1
455 . 1 1 42 42 PHE HD1 H 1 7.264 . . 1 . . . . . . . . 6167 1
456 . 1 1 42 42 PHE CD2 C 13 131.5 . . 1 . . . . . . . . 6167 1
457 . 1 1 42 42 PHE HD2 H 1 7.264 . . 1 . . . . . . . . 6167 1
458 . 1 1 42 42 PHE CE1 C 13 130.62 . . 1 . . . . . . . . 6167 1
459 . 1 1 42 42 PHE HE1 H 1 7.228 . . 1 . . . . . . . . 6167 1
460 . 1 1 42 42 PHE CE2 C 13 130.62 . . 1 . . . . . . . . 6167 1
461 . 1 1 42 42 PHE HE2 H 1 7.228 . . 1 . . . . . . . . 6167 1
462 . 1 1 42 42 PHE CZ C 13 128.55 . . 1 . . . . . . . . 6167 1
463 . 1 1 42 42 PHE HZ H 1 7.091 . . 1 . . . . . . . . 6167 1
464 . 1 1 42 42 PHE HB2 H 1 3.366 . . 1 . . . . . . . . 6167 1
465 . 1 1 43 43 THR H H 1 8.3710 . . 1 . . . . . . . . 6167 1
466 . 1 1 43 43 THR N N 15 115.0950 . . 1 . . . . . . . . 6167 1
467 . 1 1 43 43 THR CA C 13 67.1960 . . 1 . . . . . . . . 6167 1
468 . 1 1 43 43 THR HA H 1 3.931 . . 1 . . . . . . . . 6167 1
469 . 1 1 43 43 THR C C 13 175.4070 . . 1 . . . . . . . . 6167 1
470 . 1 1 43 43 THR CB C 13 69.0890 . . 1 . . . . . . . . 6167 1
471 . 1 1 43 43 THR HB H 1 4.396 . . 1 . . . . . . . . 6167 1
472 . 1 1 43 43 THR CG2 C 13 22.341 . . 1 . . . . . . . . 6167 1
473 . 1 1 43 43 THR HG21 H 1 1.267 . . 1 . . . . . . . . 6167 1
474 . 1 1 43 43 THR HG22 H 1 1.267 . . 1 . . . . . . . . 6167 1
475 . 1 1 43 43 THR HG23 H 1 1.267 . . 1 . . . . . . . . 6167 1
476 . 1 1 44 44 LYS H H 1 7.9810 . . 1 . . . . . . . . 6167 1
477 . 1 1 44 44 LYS N N 15 120.0940 . . 1 . . . . . . . . 6167 1
478 . 1 1 44 44 LYS CA C 13 59.1780 . . 1 . . . . . . . . 6167 1
479 . 1 1 44 44 LYS HA H 1 4.138 . . 1 . . . . . . . . 6167 1
480 . 1 1 44 44 LYS C C 13 179.6370 . . 1 . . . . . . . . 6167 1
481 . 1 1 44 44 LYS CB C 13 32.4670 . . 1 . . . . . . . . 6167 1
482 . 1 1 44 44 LYS CG C 13 25.374 . . 1 . . . . . . . . 6167 1
483 . 1 1 44 44 LYS CD C 13 29.067 . . 1 . . . . . . . . 6167 1
484 . 1 1 44 44 LYS CE C 13 41.99 . . 1 . . . . . . . . 6167 1
485 . 1 1 44 44 LYS HB2 H 1 2.051 . . 1 . . . . . . . . 6167 1
486 . 1 1 44 44 LYS HG2 H 1 1.659 . . 1 . . . . . . . . 6167 1
487 . 1 1 44 44 LYS HD2 H 1 1.793 . . 1 . . . . . . . . 6167 1
488 . 1 1 44 44 LYS HE2 H 1 2.992 . . 1 . . . . . . . . 6167 1
489 . 1 1 45 45 GLU H H 1 8.2930 . . 1 . . . . . . . . 6167 1
490 . 1 1 45 45 GLU N N 15 117.3090 . . 1 . . . . . . . . 6167 1
491 . 1 1 45 45 GLU CA C 13 58.6380 . . 1 . . . . . . . . 6167 1
492 . 1 1 45 45 GLU HA H 1 4.262 . . 1 . . . . . . . . 6167 1
493 . 1 1 45 45 GLU C C 13 179.5040 . . 1 . . . . . . . . 6167 1
494 . 1 1 45 45 GLU CB C 13 29.6650 . . 1 . . . . . . . . 6167 1
495 . 1 1 45 45 GLU CG C 13 36.491 . . 1 . . . . . . . . 6167 1
496 . 1 1 45 45 GLU HG3 H 1 2.364 . . 2 . . . . . . . . 6167 1
497 . 1 1 45 45 GLU HB2 H 1 2.178 . . 1 . . . . . . . . 6167 1
498 . 1 1 45 45 GLU HG2 H 1 2.527 . . 2 . . . . . . . . 6167 1
499 . 1 1 46 46 LEU H H 1 8.7010 . . 1 . . . . . . . . 6167 1
500 . 1 1 46 46 LEU N N 15 119.8120 . . 1 . . . . . . . . 6167 1
501 . 1 1 46 46 LEU CA C 13 57.6990 . . 1 . . . . . . . . 6167 1
502 . 1 1 46 46 LEU HA H 1 4.291 . . 1 . . . . . . . . 6167 1
503 . 1 1 46 46 LEU C C 13 179.5120 . . 1 . . . . . . . . 6167 1
504 . 1 1 46 46 LEU CB C 13 42.1330 . . 1 . . . . . . . . 6167 1
505 . 1 1 46 46 LEU HB3 H 1 1.574 . . 2 . . . . . . . . 6167 1
506 . 1 1 46 46 LEU CG C 13 27.24 . . 1 . . . . . . . . 6167 1
507 . 1 1 46 46 LEU CD1 C 13 23.99 . . 2 . . . . . . . . 6167 1
508 . 1 1 46 46 LEU HD11 H 1 1.037 . . 2 . . . . . . . . 6167 1
509 . 1 1 46 46 LEU HD12 H 1 1.037 . . 2 . . . . . . . . 6167 1
510 . 1 1 46 46 LEU HD13 H 1 1.037 . . 2 . . . . . . . . 6167 1
511 . 1 1 46 46 LEU CD2 C 13 25.81 . . 2 . . . . . . . . 6167 1
512 . 1 1 46 46 LEU HD21 H 1 0.875 . . 2 . . . . . . . . 6167 1
513 . 1 1 46 46 LEU HD22 H 1 0.875 . . 2 . . . . . . . . 6167 1
514 . 1 1 46 46 LEU HD23 H 1 0.875 . . 2 . . . . . . . . 6167 1
515 . 1 1 46 46 LEU HG H 1 1.977 . . 1 . . . . . . . . 6167 1
516 . 1 1 46 46 LEU HB2 H 1 2.155 . . 2 . . . . . . . . 6167 1
517 . 1 1 47 47 GLU H H 1 8.3520 . . 1 . . . . . . . . 6167 1
518 . 1 1 47 47 GLU N N 15 118.3330 . . 1 . . . . . . . . 6167 1
519 . 1 1 47 47 GLU CA C 13 58.270 . . 1 . . . . . . . . 6167 1
520 . 1 1 47 47 GLU HA H 1 4.367 . . 1 . . . . . . . . 6167 1
521 . 1 1 47 47 GLU C C 13 177.5020 . . 1 . . . . . . . . 6167 1
522 . 1 1 47 47 GLU CB C 13 29.4110 . . 1 . . . . . . . . 6167 1
523 . 1 1 47 47 GLU CG C 13 37.201 . . 1 . . . . . . . . 6167 1
524 . 1 1 47 47 GLU HG3 H 1 2.310 . . 2 . . . . . . . . 6167 1
525 . 1 1 47 47 GLU HB2 H 1 2.156 . . 1 . . . . . . . . 6167 1
526 . 1 1 47 47 GLU HG2 H 1 2.647 . . 2 . . . . . . . . 6167 1
527 . 1 1 48 48 LYS H H 1 7.3960 . . 1 . . . . . . . . 6167 1
528 . 1 1 48 48 LYS N N 15 116.4800 . . 1 . . . . . . . . 6167 1
529 . 1 1 48 48 LYS CA C 13 58.16 . . 1 . . . . . . . . 6167 1
530 . 1 1 48 48 LYS HA H 1 4.260 . . 1 . . . . . . . . 6167 1
531 . 1 1 48 48 LYS C C 13 177.4060 . . 1 . . . . . . . . 6167 1
532 . 1 1 48 48 LYS CB C 13 33.2820 . . 1 . . . . . . . . 6167 1
533 . 1 1 48 48 LYS HB3 H 1 1.97 . . 2 . . . . . . . . 6167 1
534 . 1 1 48 48 LYS CG C 13 25.67 . . 1 . . . . . . . . 6167 1
535 . 1 1 48 48 LYS HG3 H 1 1.516 . . 2 . . . . . . . . 6167 1
536 . 1 1 48 48 LYS CD C 13 29.67 . . 1 . . . . . . . . 6167 1
537 . 1 1 48 48 LYS CE C 13 42.08 . . 1 . . . . . . . . 6167 1
538 . 1 1 48 48 LYS HB2 H 1 1.99 . . 2 . . . . . . . . 6167 1
539 . 1 1 48 48 LYS HG2 H 1 1.783 . . 2 . . . . . . . . 6167 1
540 . 1 1 48 48 LYS HD2 H 1 1.750 . . 1 . . . . . . . . 6167 1
541 . 1 1 48 48 LYS HE2 H 1 2.999 . . 1 . . . . . . . . 6167 1
542 . 1 1 49 49 VAL H H 1 7.4420 . . 1 . . . . . . . . 6167 1
543 . 1 1 49 49 VAL N N 15 114.7650 . . 1 . . . . . . . . 6167 1
544 . 1 1 49 49 VAL CA C 13 62.684 . . 1 . . . . . . . . 6167 1
545 . 1 1 49 49 VAL HA H 1 4.063 . . 1 . . . . . . . . 6167 1
546 . 1 1 49 49 VAL C C 13 175.3330 . . 1 . . . . . . . . 6167 1
547 . 1 1 49 49 VAL CB C 13 33.651 . . 1 . . . . . . . . 6167 1
548 . 1 1 49 49 VAL HB H 1 1.904 . . 1 . . . . . . . . 6167 1
549 . 1 1 49 49 VAL CG1 C 13 20.98 . . 2 . . . . . . . . 6167 1
550 . 1 1 49 49 VAL HG11 H 1 0.845 . . 2 . . . . . . . . 6167 1
551 . 1 1 49 49 VAL HG12 H 1 0.845 . . 2 . . . . . . . . 6167 1
552 . 1 1 49 49 VAL HG13 H 1 0.845 . . 2 . . . . . . . . 6167 1
553 . 1 1 49 49 VAL CG2 C 13 21.23 . . 2 . . . . . . . . 6167 1
554 . 1 1 49 49 VAL HG21 H 1 0.492 . . 2 . . . . . . . . 6167 1
555 . 1 1 49 49 VAL HG22 H 1 0.492 . . 2 . . . . . . . . 6167 1
556 . 1 1 49 49 VAL HG23 H 1 0.492 . . 2 . . . . . . . . 6167 1
557 . 1 1 50 50 TYR H H 1 8.1360 . . 1 . . . . . . . . 6167 1
558 . 1 1 50 50 TYR N N 15 120.4350 . . 1 . . . . . . . . 6167 1
559 . 1 1 50 50 TYR CA C 13 58.1570 . . 1 . . . . . . . . 6167 1
560 . 1 1 50 50 TYR HA H 1 4.577 . . 1 . . . . . . . . 6167 1
561 . 1 1 50 50 TYR C C 13 174.5320 . . 1 . . . . . . . . 6167 1
562 . 1 1 50 50 TYR CB C 13 40.6090 . . 1 . . . . . . . . 6167 1
563 . 1 1 50 50 TYR HB3 H 1 2.883 . . 2 . . . . . . . . 6167 1
564 . 1 1 50 50 TYR CD1 C 13 133.375 . . 1 . . . . . . . . 6167 1
565 . 1 1 50 50 TYR HD1 H 1 7.221 . . 1 . . . . . . . . 6167 1
566 . 1 1 50 50 TYR CD2 C 13 133.375 . . 1 . . . . . . . . 6167 1
567 . 1 1 50 50 TYR HD2 H 1 7.221 . . 1 . . . . . . . . 6167 1
568 . 1 1 50 50 TYR CE1 C 13 117.838 . . 1 . . . . . . . . 6167 1
569 . 1 1 50 50 TYR HE1 H 1 6.741 . . 1 . . . . . . . . 6167 1
570 . 1 1 50 50 TYR CE2 C 13 117.838 . . 1 . . . . . . . . 6167 1
571 . 1 1 50 50 TYR HE2 H 1 6.741 . . 1 . . . . . . . . 6167 1
572 . 1 1 50 50 TYR HB2 H 1 2.978 . . 2 . . . . . . . . 6167 1
573 . 1 1 51 51 ASP H H 1 9.0960 . . 1 . . . . . . . . 6167 1
574 . 1 1 51 51 ASP N N 15 121.3730 . . 1 . . . . . . . . 6167 1
575 . 1 1 51 51 ASP CA C 13 51.41 . . 1 . . . . . . . . 6167 1
576 . 1 1 51 51 ASP HA H 1 5.035 . . 1 . . . . . . . . 6167 1
577 . 1 1 51 51 ASP CB C 13 41.88 . . 1 . . . . . . . . 6167 1
578 . 1 1 51 51 ASP HB3 H 1 2.582 . . 2 . . . . . . . . 6167 1
579 . 1 1 51 51 ASP HB2 H 1 2.911 . . 2 . . . . . . . . 6167 1
580 . 1 1 52 52 PRO CA C 13 63.9190 . . 1 . . . . . . . . 6167 1
581 . 1 1 52 52 PRO HA H 1 4.487 . . 1 . . . . . . . . 6167 1
582 . 1 1 52 52 PRO C C 13 177.4080 . . 1 . . . . . . . . 6167 1
583 . 1 1 52 52 PRO CB C 13 32.44 . . 1 . . . . . . . . 6167 1
584 . 1 1 52 52 PRO HB3 H 1 2.075 . . 2 . . . . . . . . 6167 1
585 . 1 1 52 52 PRO CG C 13 27.44 . . 1 . . . . . . . . 6167 1
586 . 1 1 52 52 PRO CD C 13 50.93 . . 1 . . . . . . . . 6167 1
587 . 1 1 52 52 PRO HD3 H 1 3.699 . . 2 . . . . . . . . 6167 1
588 . 1 1 52 52 PRO HB2 H 1 2.296 . . 2 . . . . . . . . 6167 1
589 . 1 1 52 52 PRO HG2 H 1 2.052 . . 1 . . . . . . . . 6167 1
590 . 1 1 52 52 PRO HD2 H 1 3.97 . . 2 . . . . . . . . 6167 1
591 . 1 1 53 53 LYS H H 1 8.4030 . . 1 . . . . . . . . 6167 1
592 . 1 1 53 53 LYS N N 15 117.8060 . . 1 . . . . . . . . 6167 1
593 . 1 1 53 53 LYS CA C 13 57.16 . . 1 . . . . . . . . 6167 1
594 . 1 1 53 53 LYS HA H 1 4.266 . . 1 . . . . . . . . 6167 1
595 . 1 1 53 53 LYS C C 13 176.9520 . . 1 . . . . . . . . 6167 1
596 . 1 1 53 53 LYS CB C 13 32.25 . . 1 . . . . . . . . 6167 1
597 . 1 1 53 53 LYS CG C 13 24.97 . . 1 . . . . . . . . 6167 1
598 . 1 1 53 53 LYS CD C 13 28.81 . . 1 . . . . . . . . 6167 1
599 . 1 1 53 53 LYS CE C 13 41.65 . . 1 . . . . . . . . 6167 1
600 . 1 1 53 53 LYS HB2 H 1 1.878 . . 1 . . . . . . . . 6167 1
601 . 1 1 53 53 LYS HG2 H 1 1.45 . . 1 . . . . . . . . 6167 1
602 . 1 1 53 53 LYS HD2 H 1 1.73 . . 1 . . . . . . . . 6167 1
603 . 1 1 53 53 LYS HE2 H 1 3.038 . . 1 . . . . . . . . 6167 1
604 . 1 1 54 54 ASN H H 1 7.7770 . . 1 . . . . . . . . 6167 1
605 . 1 1 54 54 ASN N N 15 116.3320 . . 1 . . . . . . . . 6167 1
606 . 1 1 54 54 ASN CA C 13 53.00 . . 1 . . . . . . . . 6167 1
607 . 1 1 54 54 ASN HA H 1 4.829 . . 1 . . . . . . . . 6167 1
608 . 1 1 54 54 ASN C C 13 175.1370 . . 1 . . . . . . . . 6167 1
609 . 1 1 54 54 ASN CB C 13 39.4990 . . 1 . . . . . . . . 6167 1
610 . 1 1 54 54 ASN HB3 H 1 2.797 . . 2 . . . . . . . . 6167 1
611 . 1 1 54 54 ASN ND2 N 15 114.55 . . 1 . . . . . . . . 6167 1
612 . 1 1 54 54 ASN HD21 H 1 8.065 . . 2 . . . . . . . . 6167 1
613 . 1 1 54 54 ASN HD22 H 1 6.950 . . 2 . . . . . . . . 6167 1
614 . 1 1 54 54 ASN HB2 H 1 3.010 . . 2 . . . . . . . . 6167 1
615 . 1 1 55 55 GLU H H 1 8.2860 . . 1 . . . . . . . . 6167 1
616 . 1 1 55 55 GLU N N 15 120.5590 . . 1 . . . . . . . . 6167 1
617 . 1 1 55 55 GLU CA C 13 56.73 . . 1 . . . . . . . . 6167 1
618 . 1 1 55 55 GLU HA H 1 4.436 . . 1 . . . . . . . . 6167 1
619 . 1 1 55 55 GLU C C 13 176.6170 . . 1 . . . . . . . . 6167 1
620 . 1 1 55 55 GLU CB C 13 30.08 . . 1 . . . . . . . . 6167 1
621 . 1 1 55 55 GLU CG C 13 36.30 . . 1 . . . . . . . . 6167 1
622 . 1 1 55 55 GLU HB2 H 1 2.118 . . 1 . . . . . . . . 6167 1
623 . 1 1 55 55 GLU HG2 H 1 2.313 . . 1 . . . . . . . . 6167 1
624 . 1 1 56 56 GLU H H 1 8.6190 . . 1 . . . . . . . . 6167 1
625 . 1 1 56 56 GLU N N 15 122.0130 . . 1 . . . . . . . . 6167 1
626 . 1 1 56 56 GLU CA C 13 58.2630 . . 1 . . . . . . . . 6167 1
627 . 1 1 56 56 GLU HA H 1 4.252 . . 1 . . . . . . . . 6167 1
628 . 1 1 56 56 GLU C C 13 177.7490 . . 1 . . . . . . . . 6167 1
629 . 1 1 56 56 GLU CB C 13 29.8360 . . 1 . . . . . . . . 6167 1
630 . 1 1 56 56 GLU CG C 13 36.247 . . 1 . . . . . . . . 6167 1
631 . 1 1 56 56 GLU HB2 H 1 2.106 . . 1 . . . . . . . . 6167 1
632 . 1 1 56 56 GLU HG2 H 1 2.346 . . 1 . . . . . . . . 6167 1
633 . 1 1 57 57 ASP H H 1 8.4840 . . 1 . . . . . . . . 6167 1
634 . 1 1 57 57 ASP N N 15 119.4070 . . 1 . . . . . . . . 6167 1
635 . 1 1 57 57 ASP CA C 13 55.67 . . 1 . . . . . . . . 6167 1
636 . 1 1 57 57 ASP HA H 1 4.632 . . 1 . . . . . . . . 6167 1
637 . 1 1 57 57 ASP C C 13 176.8220 . . 1 . . . . . . . . 6167 1
638 . 1 1 57 57 ASP CB C 13 40.97 . . 1 . . . . . . . . 6167 1
639 . 1 1 57 57 ASP HB2 H 1 2.785 . . 1 . . . . . . . . 6167 1
640 . 1 1 58 58 ASP H H 1 8.1040 . . 1 . . . . . . . . 6167 1
641 . 1 1 58 58 ASP N N 15 120.2110 . . 1 . . . . . . . . 6167 1
642 . 1 1 58 58 ASP CA C 13 55.6440 . . 1 . . . . . . . . 6167 1
643 . 1 1 58 58 ASP HA H 1 4.63 . . 1 . . . . . . . . 6167 1
644 . 1 1 58 58 ASP C C 13 177.4360 . . 1 . . . . . . . . 6167 1
645 . 1 1 58 58 ASP CB C 13 40.7770 . . 1 . . . . . . . . 6167 1
646 . 1 1 58 58 ASP HB3 H 1 2.776 . . 2 . . . . . . . . 6167 1
647 . 1 1 58 58 ASP HB2 H 1 2.915 . . 2 . . . . . . . . 6167 1
648 . 1 1 59 59 MET H H 1 8.1820 . . 1 . . . . . . . . 6167 1
649 . 1 1 59 59 MET N N 15 119.7640 . . 1 . . . . . . . . 6167 1
650 . 1 1 59 59 MET CA C 13 57.9830 . . 1 . . . . . . . . 6167 1
651 . 1 1 59 59 MET HA H 1 4.23 . . 1 . . . . . . . . 6167 1
652 . 1 1 59 59 MET CB C 13 32.201 . . 1 . . . . . . . . 6167 1
653 . 1 1 59 59 MET CG C 13 32.219 . . 1 . . . . . . . . 6167 1
654 . 1 1 59 59 MET HG3 H 1 2.186 . . 2 . . . . . . . . 6167 1
655 . 1 1 59 59 MET CE C 13 17.75 . . 1 . . . . . . . . 6167 1
656 . 1 1 59 59 MET HE1 H 1 2.131 . . 1 . . . . . . . . 6167 1
657 . 1 1 59 59 MET HE2 H 1 2.131 . . 1 . . . . . . . . 6167 1
658 . 1 1 59 59 MET HE3 H 1 2.131 . . 1 . . . . . . . . 6167 1
659 . 1 1 59 59 MET HB2 H 1 2.186 . . 1 . . . . . . . . 6167 1
660 . 1 1 59 59 MET HG2 H 1 2.635 . . 2 . . . . . . . . 6167 1
661 . 1 1 60 60 ARG H H 1 7.9870 . . 1 . . . . . . . . 6167 1
662 . 1 1 60 60 ARG N N 15 119.4160 . . 1 . . . . . . . . 6167 1
663 . 1 1 60 60 ARG CA C 13 59.04 . . 1 . . . . . . . . 6167 1
664 . 1 1 60 60 ARG HA H 1 4.093 . . 1 . . . . . . . . 6167 1
665 . 1 1 60 60 ARG C C 13 178.8610 . . 1 . . . . . . . . 6167 1
666 . 1 1 60 60 ARG CB C 13 29.78 . . 1 . . . . . . . . 6167 1
667 . 1 1 60 60 ARG CG C 13 27.24 . . 1 . . . . . . . . 6167 1
668 . 1 1 60 60 ARG CD C 13 43.14 . . 1 . . . . . . . . 6167 1
669 . 1 1 60 60 ARG HB2 H 1 1.948 . . 1 . . . . . . . . 6167 1
670 . 1 1 60 60 ARG HG2 H 1 1.722 . . 1 . . . . . . . . 6167 1
671 . 1 1 60 60 ARG HD3 H 1 3.266 . . 1 . . . . . . . . 6167 1
672 . 1 1 61 61 GLU H H 1 8.1290 . . 1 . . . . . . . . 6167 1
673 . 1 1 61 61 GLU N N 15 119.2950 . . 1 . . . . . . . . 6167 1
674 . 1 1 61 61 GLU CA C 13 59.1640 . . 1 . . . . . . . . 6167 1
675 . 1 1 61 61 GLU HA H 1 4.004 . . 1 . . . . . . . . 6167 1
676 . 1 1 61 61 GLU C C 13 178.5550 . . 1 . . . . . . . . 6167 1
677 . 1 1 61 61 GLU CB C 13 29.4260 . . 1 . . . . . . . . 6167 1
678 . 1 1 61 61 GLU CG C 13 36.614 . . 1 . . . . . . . . 6167 1
679 . 1 1 61 61 GLU HG3 H 1 2.320 . . 2 . . . . . . . . 6167 1
680 . 1 1 61 61 GLU HB2 H 1 2.027 . . 1 . . . . . . . . 6167 1
681 . 1 1 61 61 GLU HG2 H 1 2.406 . . 2 . . . . . . . . 6167 1
682 . 1 1 62 62 MET H H 1 7.9860 . . 1 . . . . . . . . 6167 1
683 . 1 1 62 62 MET N N 15 119.0490 . . 1 . . . . . . . . 6167 1
684 . 1 1 62 62 MET CA C 13 59.09 . . 1 . . . . . . . . 6167 1
685 . 1 1 62 62 MET HA H 1 3.483 . . 1 . . . . . . . . 6167 1
686 . 1 1 62 62 MET C C 13 177.7220 . . 1 . . . . . . . . 6167 1
687 . 1 1 62 62 MET CB C 13 32.5940 . . 1 . . . . . . . . 6167 1
688 . 1 1 62 62 MET HB3 H 1 1.66 . . 2 . . . . . . . . 6167 1
689 . 1 1 62 62 MET CG C 13 32.557 . . 1 . . . . . . . . 6167 1
690 . 1 1 62 62 MET HG3 H 1 2.326 . . 2 . . . . . . . . 6167 1
691 . 1 1 62 62 MET CE C 13 17.982 . . 1 . . . . . . . . 6167 1
692 . 1 1 62 62 MET HE1 H 1 1.962 . . 1 . . . . . . . . 6167 1
693 . 1 1 62 62 MET HE2 H 1 1.962 . . 1 . . . . . . . . 6167 1
694 . 1 1 62 62 MET HE3 H 1 1.962 . . 1 . . . . . . . . 6167 1
695 . 1 1 62 62 MET HB2 H 1 2.018 . . 2 . . . . . . . . 6167 1
696 . 1 1 62 62 MET HG2 H 1 2.401 . . 2 . . . . . . . . 6167 1
697 . 1 1 63 63 GLU H H 1 7.8090 . . 1 . . . . . . . . 6167 1
698 . 1 1 63 63 GLU N N 15 117.8500 . . 1 . . . . . . . . 6167 1
699 . 1 1 63 63 GLU CA C 13 58.6720 . . 1 . . . . . . . . 6167 1
700 . 1 1 63 63 GLU HA H 1 4.117 . . 1 . . . . . . . . 6167 1
701 . 1 1 63 63 GLU C C 13 179.4360 . . 1 . . . . . . . . 6167 1
702 . 1 1 63 63 GLU CB C 13 28.9450 . . 1 . . . . . . . . 6167 1
703 . 1 1 63 63 GLU CG C 13 35.80 . . 1 . . . . . . . . 6167 1
704 . 1 1 63 63 GLU HB2 H 1 2.129 . . 1 . . . . . . . . 6167 1
705 . 1 1 63 63 GLU HG2 H 1 2.412 . . 1 . . . . . . . . 6167 1
706 . 1 1 64 64 GLU H H 1 7.9880 . . 1 . . . . . . . . 6167 1
707 . 1 1 64 64 GLU N N 15 119.8680 . . 1 . . . . . . . . 6167 1
708 . 1 1 64 64 GLU CA C 13 59.5130 . . 1 . . . . . . . . 6167 1
709 . 1 1 64 64 GLU HA H 1 4.071 . . 1 . . . . . . . . 6167 1
710 . 1 1 64 64 GLU C C 13 179.5030 . . 1 . . . . . . . . 6167 1
711 . 1 1 64 64 GLU CB C 13 29.3090 . . 1 . . . . . . . . 6167 1
712 . 1 1 64 64 GLU HB3 H 1 2.07 . . 2 . . . . . . . . 6167 1
713 . 1 1 64 64 GLU CG C 13 36.43 . . 1 . . . . . . . . 6167 1
714 . 1 1 64 64 GLU HG3 H 1 2.435 . . 2 . . . . . . . . 6167 1
715 . 1 1 64 64 GLU HB2 H 1 2.165 . . 2 . . . . . . . . 6167 1
716 . 1 1 64 64 GLU HG2 H 1 2.289 . . 2 . . . . . . . . 6167 1
717 . 1 1 65 65 GLU H H 1 8.1620 . . 1 . . . . . . . . 6167 1
718 . 1 1 65 65 GLU N N 15 120.4500 . . 1 . . . . . . . . 6167 1
719 . 1 1 65 65 GLU CA C 13 58.9350 . . 1 . . . . . . . . 6167 1
720 . 1 1 65 65 GLU HA H 1 4.189 . . 1 . . . . . . . . 6167 1
721 . 1 1 65 65 GLU C C 13 178.6560 . . 1 . . . . . . . . 6167 1
722 . 1 1 65 65 GLU CB C 13 28.9820 . . 1 . . . . . . . . 6167 1
723 . 1 1 65 65 GLU CG C 13 36.072 . . 1 . . . . . . . . 6167 1
724 . 1 1 65 65 GLU HB2 H 1 2.142 . . 1 . . . . . . . . 6167 1
725 . 1 1 65 65 GLU HG2 H 1 2.427 . . 1 . . . . . . . . 6167 1
726 . 1 1 66 66 ARG H H 1 8.4210 . . 1 . . . . . . . . 6167 1
727 . 1 1 66 66 ARG N N 15 121.0210 . . 1 . . . . . . . . 6167 1
728 . 1 1 66 66 ARG CA C 13 60.60 . . 1 . . . . . . . . 6167 1
729 . 1 1 66 66 ARG HA H 1 3.586 . . 1 . . . . . . . . 6167 1
730 . 1 1 66 66 ARG C C 13 178.0160 . . 1 . . . . . . . . 6167 1
731 . 1 1 66 66 ARG CB C 13 30.62 . . 1 . . . . . . . . 6167 1
732 . 1 1 66 66 ARG CG C 13 27.32 . . 1 . . . . . . . . 6167 1
733 . 1 1 66 66 ARG HG3 H 1 1.446 . . 2 . . . . . . . . 6167 1
734 . 1 1 66 66 ARG CD C 13 43.51 . . 1 . . . . . . . . 6167 1
735 . 1 1 66 66 ARG HB2 H 1 1.975 . . 1 . . . . . . . . 6167 1
736 . 1 1 66 66 ARG HG2 H 1 1.644 . . 2 . . . . . . . . 6167 1
737 . 1 1 66 66 ARG HD3 H 1 3.256 . . 1 . . . . . . . . 6167 1
738 . 1 1 67 67 LEU H H 1 7.6460 . . 1 . . . . . . . . 6167 1
739 . 1 1 67 67 LEU N N 15 117.5070 . . 1 . . . . . . . . 6167 1
740 . 1 1 67 67 LEU CA C 13 58.22 . . 1 . . . . . . . . 6167 1
741 . 1 1 67 67 LEU HA H 1 3.984 . . 1 . . . . . . . . 6167 1
742 . 1 1 67 67 LEU C C 13 179.4590 . . 1 . . . . . . . . 6167 1
743 . 1 1 67 67 LEU CB C 13 41.429 . . 1 . . . . . . . . 6167 1
744 . 1 1 67 67 LEU CG C 13 27.195 . . 1 . . . . . . . . 6167 1
745 . 1 1 67 67 LEU CD1 C 13 24.938 . . 2 . . . . . . . . 6167 1
746 . 1 1 67 67 LEU HD11 H 1 0.963 . . 2 . . . . . . . . 6167 1
747 . 1 1 67 67 LEU HD12 H 1 0.963 . . 2 . . . . . . . . 6167 1
748 . 1 1 67 67 LEU HD13 H 1 0.963 . . 2 . . . . . . . . 6167 1
749 . 1 1 67 67 LEU CD2 C 13 23.939 . . 2 . . . . . . . . 6167 1
750 . 1 1 67 67 LEU HD21 H 1 0.925 . . 2 . . . . . . . . 6167 1
751 . 1 1 67 67 LEU HD22 H 1 0.925 . . 2 . . . . . . . . 6167 1
752 . 1 1 67 67 LEU HD23 H 1 0.925 . . 2 . . . . . . . . 6167 1
753 . 1 1 67 67 LEU HG H 1 1.807 . . 1 . . . . . . . . 6167 1
754 . 1 1 67 67 LEU HB2 H 1 1.750 . . 1 . . . . . . . . 6167 1
755 . 1 1 68 68 ARG H H 1 7.7330 . . 1 . . . . . . . . 6167 1
756 . 1 1 68 68 ARG N N 15 118.9620 . . 1 . . . . . . . . 6167 1
757 . 1 1 68 68 ARG CA C 13 59.5590 . . 1 . . . . . . . . 6167 1
758 . 1 1 68 68 ARG HA H 1 4.042 . . 1 . . . . . . . . 6167 1
759 . 1 1 68 68 ARG C C 13 180.0190 . . 1 . . . . . . . . 6167 1
760 . 1 1 68 68 ARG CB C 13 30.3690 . . 1 . . . . . . . . 6167 1
761 . 1 1 68 68 ARG HB3 H 1 1.864 . . 2 . . . . . . . . 6167 1
762 . 1 1 68 68 ARG CG C 13 28.104 . . 1 . . . . . . . . 6167 1
763 . 1 1 68 68 ARG HG3 H 1 1.588 . . 2 . . . . . . . . 6167 1
764 . 1 1 68 68 ARG CD C 13 43.235 . . 1 . . . . . . . . 6167 1
765 . 1 1 68 68 ARG HB2 H 1 1.992 . . 2 . . . . . . . . 6167 1
766 . 1 1 68 68 ARG HG2 H 1 1.783 . . 2 . . . . . . . . 6167 1
767 . 1 1 68 68 ARG HD2 H 1 3.203 . . 1 . . . . . . . . 6167 1
768 . 1 1 69 69 MET H H 1 8.3200 . . 1 . . . . . . . . 6167 1
769 . 1 1 69 69 MET N N 15 120.5200 . . 1 . . . . . . . . 6167 1
770 . 1 1 69 69 MET CA C 13 59.75 . . 1 . . . . . . . . 6167 1
771 . 1 1 69 69 MET HA H 1 3.89 . . 1 . . . . . . . . 6167 1
772 . 1 1 69 69 MET C C 13 177.2120 . . 1 . . . . . . . . 6167 1
773 . 1 1 69 69 MET CB C 13 32.0680 . . 1 . . . . . . . . 6167 1
774 . 1 1 69 69 MET HB3 H 1 1.257 . . 2 . . . . . . . . 6167 1
775 . 1 1 69 69 MET CG C 13 32.20 . . 1 . . . . . . . . 6167 1
776 . 1 1 69 69 MET CE C 13 17.259 . . 1 . . . . . . . . 6167 1
777 . 1 1 69 69 MET HE1 H 1 2.029 . . 1 . . . . . . . . 6167 1
778 . 1 1 69 69 MET HE2 H 1 2.029 . . 1 . . . . . . . . 6167 1
779 . 1 1 69 69 MET HE3 H 1 2.029 . . 1 . . . . . . . . 6167 1
780 . 1 1 69 69 MET HB2 H 1 1.527 . . 2 . . . . . . . . 6167 1
781 . 1 1 69 69 MET HG2 H 1 2.651 . . 1 . . . . . . . . 6167 1
782 . 1 1 70 70 ARG H H 1 8.0720 . . 1 . . . . . . . . 6167 1
783 . 1 1 70 70 ARG N N 15 119.3120 . . 1 . . . . . . . . 6167 1
784 . 1 1 70 70 ARG CA C 13 60.28 . . 1 . . . . . . . . 6167 1
785 . 1 1 70 70 ARG HA H 1 3.854 . . 1 . . . . . . . . 6167 1
786 . 1 1 70 70 ARG C C 13 178.7670 . . 1 . . . . . . . . 6167 1
787 . 1 1 70 70 ARG CB C 13 30.79 . . 1 . . . . . . . . 6167 1
788 . 1 1 70 70 ARG CG C 13 27.63 . . 1 . . . . . . . . 6167 1
789 . 1 1 70 70 ARG CD C 13 44.07 . . 1 . . . . . . . . 6167 1
790 . 1 1 70 70 ARG HD3 H 1 3.163 . . 2 . . . . . . . . 6167 1
791 . 1 1 70 70 ARG HB2 H 1 1.939 . . 1 . . . . . . . . 6167 1
792 . 1 1 70 70 ARG HG2 H 1 1.791 . . 1 . . . . . . . . 6167 1
793 . 1 1 70 70 ARG HD2 H 1 3.316 . . 2 . . . . . . . . 6167 1
794 . 1 1 71 71 GLU H H 1 8.2780 . . 1 . . . . . . . . 6167 1
795 . 1 1 71 71 GLU N N 15 118.0560 . . 1 . . . . . . . . 6167 1
796 . 1 1 71 71 GLU CA C 13 59.4620 . . 1 . . . . . . . . 6167 1
797 . 1 1 71 71 GLU HA H 1 4.024 . . 1 . . . . . . . . 6167 1
798 . 1 1 71 71 GLU C C 13 178.3120 . . 1 . . . . . . . . 6167 1
799 . 1 1 71 71 GLU CB C 13 29.3980 . . 1 . . . . . . . . 6167 1
800 . 1 1 71 71 GLU CG C 13 36.52 . . 1 . . . . . . . . 6167 1
801 . 1 1 71 71 GLU HG3 H 1 2.247 . . 2 . . . . . . . . 6167 1
802 . 1 1 71 71 GLU HB2 H 1 2.110 . . 1 . . . . . . . . 6167 1
803 . 1 1 71 71 GLU HG2 H 1 2.385 . . 2 . . . . . . . . 6167 1
804 . 1 1 72 72 HIS H H 1 8.0830 . . 1 . . . . . . . . 6167 1
805 . 1 1 72 72 HIS N N 15 118.3720 . . 1 . . . . . . . . 6167 1
806 . 1 1 72 72 HIS CA C 13 59.79 . . 1 . . . . . . . . 6167 1
807 . 1 1 72 72 HIS HA H 1 4.295 . . 1 . . . . . . . . 6167 1
808 . 1 1 72 72 HIS C C 13 178.5560 . . 1 . . . . . . . . 6167 1
809 . 1 1 72 72 HIS CB C 13 30.82 . . 1 . . . . . . . . 6167 1
810 . 1 1 72 72 HIS CD2 C 13 119.816 . . 1 . . . . . . . . 6167 1
811 . 1 1 72 72 HIS HD2 H 1 7.095 . . 1 . . . . . . . . 6167 1
812 . 1 1 72 72 HIS HB2 H 1 3.289 . . 1 . . . . . . . . 6167 1
813 . 1 1 73 73 VAL H H 1 8.2080 . . 1 . . . . . . . . 6167 1
814 . 1 1 73 73 VAL N N 15 118.2260 . . 1 . . . . . . . . 6167 1
815 . 1 1 73 73 VAL CA C 13 66.44 . . 1 . . . . . . . . 6167 1
816 . 1 1 73 73 VAL HA H 1 3.499 . . 1 . . . . . . . . 6167 1
817 . 1 1 73 73 VAL C C 13 178.0790 . . 1 . . . . . . . . 6167 1
818 . 1 1 73 73 VAL CB C 13 31.59 . . 1 . . . . . . . . 6167 1
819 . 1 1 73 73 VAL HB H 1 2.415 . . 1 . . . . . . . . 6167 1
820 . 1 1 73 73 VAL CG1 C 13 24.37 . . 2 . . . . . . . . 6167 1
821 . 1 1 73 73 VAL HG11 H 1 1.330 . . 2 . . . . . . . . 6167 1
822 . 1 1 73 73 VAL HG12 H 1 1.330 . . 2 . . . . . . . . 6167 1
823 . 1 1 73 73 VAL HG13 H 1 1.330 . . 2 . . . . . . . . 6167 1
824 . 1 1 73 73 VAL CG2 C 13 22.49 . . 2 . . . . . . . . 6167 1
825 . 1 1 73 73 VAL HG21 H 1 1.104 . . 2 . . . . . . . . 6167 1
826 . 1 1 73 73 VAL HG22 H 1 1.104 . . 2 . . . . . . . . 6167 1
827 . 1 1 73 73 VAL HG23 H 1 1.104 . . 2 . . . . . . . . 6167 1
828 . 1 1 74 74 MET H H 1 8.4380 . . 1 . . . . . . . . 6167 1
829 . 1 1 74 74 MET N N 15 117.1610 . . 1 . . . . . . . . 6167 1
830 . 1 1 74 74 MET CA C 13 57.65 . . 1 . . . . . . . . 6167 1
831 . 1 1 74 74 MET HA H 1 4.414 . . 1 . . . . . . . . 6167 1
832 . 1 1 74 74 MET C C 13 177.7960 . . 1 . . . . . . . . 6167 1
833 . 1 1 74 74 MET CB C 13 31.62 . . 1 . . . . . . . . 6167 1
834 . 1 1 74 74 MET CG C 13 32.90 . . 1 . . . . . . . . 6167 1
835 . 1 1 74 74 MET CE C 13 17.478 . . 1 . . . . . . . . 6167 1
836 . 1 1 74 74 MET HE1 H 1 2.064 . . 1 . . . . . . . . 6167 1
837 . 1 1 74 74 MET HE2 H 1 2.064 . . 1 . . . . . . . . 6167 1
838 . 1 1 74 74 MET HE3 H 1 2.064 . . 1 . . . . . . . . 6167 1
839 . 1 1 74 74 MET HB2 H 1 2.216 . . 1 . . . . . . . . 6167 1
840 . 1 1 74 74 MET HG2 H 1 2.833 . . 1 . . . . . . . . 6167 1
841 . 1 1 75 75 LYS H H 1 8.2550 . . 1 . . . . . . . . 6167 1
842 . 1 1 75 75 LYS N N 15 114.8420 . . 1 . . . . . . . . 6167 1
843 . 1 1 75 75 LYS CA C 13 58.16 . . 1 . . . . . . . . 6167 1
844 . 1 1 75 75 LYS HA H 1 4.288 . . 1 . . . . . . . . 6167 1
845 . 1 1 75 75 LYS C C 13 177.7530 . . 1 . . . . . . . . 6167 1
846 . 1 1 75 75 LYS CB C 13 33.4760 . . 1 . . . . . . . . 6167 1
847 . 1 1 75 75 LYS HB3 H 1 1.679 . . 2 . . . . . . . . 6167 1
848 . 1 1 75 75 LYS CG C 13 25.251 . . 1 . . . . . . . . 6167 1
849 . 1 1 75 75 LYS HG3 H 1 1.346 . . 2 . . . . . . . . 6167 1
850 . 1 1 75 75 LYS CD C 13 29.03 . . 1 . . . . . . . . 6167 1
851 . 1 1 75 75 LYS CE C 13 42.15 . . 1 . . . . . . . . 6167 1
852 . 1 1 75 75 LYS HB2 H 1 1.804 . . 2 . . . . . . . . 6167 1
853 . 1 1 75 75 LYS HG2 H 1 1.476 . . 2 . . . . . . . . 6167 1
854 . 1 1 75 75 LYS HD2 H 1 1.64 . . 1 . . . . . . . . 6167 1
855 . 1 1 75 75 LYS HE2 H 1 2.954 . . 1 . . . . . . . . 6167 1
856 . 1 1 76 76 ASN H H 1 7.9060 . . 1 . . . . . . . . 6167 1
857 . 1 1 76 76 ASN N N 15 112.2550 . . 1 . . . . . . . . 6167 1
858 . 1 1 76 76 ASN CA C 13 54.1750 . . 1 . . . . . . . . 6167 1
859 . 1 1 76 76 ASN HA H 1 4.814 . . 1 . . . . . . . . 6167 1
860 . 1 1 76 76 ASN C C 13 175.0980 . . 1 . . . . . . . . 6167 1
861 . 1 1 76 76 ASN CB C 13 40.122 . . 1 . . . . . . . . 6167 1
862 . 1 1 76 76 ASN HB3 H 1 2.247 . . 2 . . . . . . . . 6167 1
863 . 1 1 76 76 ASN ND2 N 15 115.16 . . 1 . . . . . . . . 6167 1
864 . 1 1 76 76 ASN HD21 H 1 7.663 . . 2 . . . . . . . . 6167 1
865 . 1 1 76 76 ASN HD22 H 1 7.002 . . 2 . . . . . . . . 6167 1
866 . 1 1 76 76 ASN HB2 H 1 2.557 . . 2 . . . . . . . . 6167 1
867 . 1 1 77 77 VAL H H 1 7.4510 . . 1 . . . . . . . . 6167 1
868 . 1 1 77 77 VAL N N 15 117.7580 . . 1 . . . . . . . . 6167 1
869 . 1 1 77 77 VAL CA C 13 63.87 . . 1 . . . . . . . . 6167 1
870 . 1 1 77 77 VAL HA H 1 4.240 . . 1 . . . . . . . . 6167 1
871 . 1 1 77 77 VAL C C 13 176.8590 . . 1 . . . . . . . . 6167 1
872 . 1 1 77 77 VAL CB C 13 32.67 . . 1 . . . . . . . . 6167 1
873 . 1 1 77 77 VAL HB H 1 2.502 . . 1 . . . . . . . . 6167 1
874 . 1 1 77 77 VAL CG1 C 13 22.31 . . 2 . . . . . . . . 6167 1
875 . 1 1 77 77 VAL HG11 H 1 1.167 . . 2 . . . . . . . . 6167 1
876 . 1 1 77 77 VAL HG12 H 1 1.167 . . 2 . . . . . . . . 6167 1
877 . 1 1 77 77 VAL HG13 H 1 1.167 . . 2 . . . . . . . . 6167 1
878 . 1 1 77 77 VAL CG2 C 13 21.69 . . 2 . . . . . . . . 6167 1
879 . 1 1 77 77 VAL HG21 H 1 0.861 . . 2 . . . . . . . . 6167 1
880 . 1 1 77 77 VAL HG22 H 1 0.861 . . 2 . . . . . . . . 6167 1
881 . 1 1 77 77 VAL HG23 H 1 0.861 . . 2 . . . . . . . . 6167 1
882 . 1 1 78 78 ASP H H 1 8.0180 . . 1 . . . . . . . . 6167 1
883 . 1 1 78 78 ASP N N 15 117.4370 . . 1 . . . . . . . . 6167 1
884 . 1 1 78 78 ASP CA C 13 52.8540 . . 1 . . . . . . . . 6167 1
885 . 1 1 78 78 ASP HA H 1 4.828 . . 1 . . . . . . . . 6167 1
886 . 1 1 78 78 ASP C C 13 177.3170 . . 1 . . . . . . . . 6167 1
887 . 1 1 78 78 ASP CB C 13 39.4410 . . 1 . . . . . . . . 6167 1
888 . 1 1 78 78 ASP HB3 H 1 2.221 . . 2 . . . . . . . . 6167 1
889 . 1 1 78 78 ASP HB2 H 1 2.991 . . 2 . . . . . . . . 6167 1
890 . 1 1 79 79 THR H H 1 8.1640 . . 1 . . . . . . . . 6167 1
891 . 1 1 79 79 THR N N 15 118.8490 . . 1 . . . . . . . . 6167 1
892 . 1 1 79 79 THR CA C 13 65.140 . . 1 . . . . . . . . 6167 1
893 . 1 1 79 79 THR HA H 1 3.989 . . 1 . . . . . . . . 6167 1
894 . 1 1 79 79 THR C C 13 175.7740 . . 1 . . . . . . . . 6167 1
895 . 1 1 79 79 THR CB C 13 69.026 . . 1 . . . . . . . . 6167 1
896 . 1 1 79 79 THR HB H 1 4.309 . . 1 . . . . . . . . 6167 1
897 . 1 1 79 79 THR CG2 C 13 22.560 . . 1 . . . . . . . . 6167 1
898 . 1 1 79 79 THR HG21 H 1 1.255 . . 1 . . . . . . . . 6167 1
899 . 1 1 79 79 THR HG22 H 1 1.255 . . 1 . . . . . . . . 6167 1
900 . 1 1 79 79 THR HG23 H 1 1.255 . . 1 . . . . . . . . 6167 1
901 . 1 1 80 80 ASN H H 1 7.795 . . 1 . . . . . . . . 6167 1
902 . 1 1 80 80 ASN N N 15 115.47 . . 1 . . . . . . . . 6167 1
903 . 1 1 80 80 ASN CA C 13 52.1100 . . 1 . . . . . . . . 6167 1
904 . 1 1 80 80 ASN HA H 1 4.858 . . 1 . . . . . . . . 6167 1
905 . 1 1 80 80 ASN C C 13 174.8400 . . 1 . . . . . . . . 6167 1
906 . 1 1 80 80 ASN CB C 13 36.973 . . 1 . . . . . . . . 6167 1
907 . 1 1 80 80 ASN HB3 H 1 2.811 . . 2 . . . . . . . . 6167 1
908 . 1 1 80 80 ASN ND2 N 15 112.26 . . 1 . . . . . . . . 6167 1
909 . 1 1 80 80 ASN HD21 H 1 7.781 . . 2 . . . . . . . . 6167 1
910 . 1 1 80 80 ASN HD22 H 1 6.605 . . 2 . . . . . . . . 6167 1
911 . 1 1 80 80 ASN HB2 H 1 3.254 . . 2 . . . . . . . . 6167 1
912 . 1 1 81 81 GLN H H 1 7.7580 . . 1 . . . . . . . . 6167 1
913 . 1 1 81 81 GLN N N 15 113.1880 . . 1 . . . . . . . . 6167 1
914 . 1 1 81 81 GLN CA C 13 57.2890 . . 1 . . . . . . . . 6167 1
915 . 1 1 81 81 GLN HA H 1 4.120 . . 1 . . . . . . . . 6167 1
916 . 1 1 81 81 GLN C C 13 174.9250 . . 1 . . . . . . . . 6167 1
917 . 1 1 81 81 GLN CB C 13 26.3370 . . 1 . . . . . . . . 6167 1
918 . 1 1 81 81 GLN CG C 13 34.416 . . 1 . . . . . . . . 6167 1
919 . 1 1 81 81 GLN NE2 N 15 113.64 . . 1 . . . . . . . . 6167 1
920 . 1 1 81 81 GLN HE21 H 1 7.572 . . 2 . . . . . . . . 6167 1
921 . 1 1 81 81 GLN HE22 H 1 6.875 . . 2 . . . . . . . . 6167 1
922 . 1 1 81 81 GLN HB2 H 1 2.216 . . 1 . . . . . . . . 6167 1
923 . 1 1 81 81 GLN HG2 H 1 2.298 . . 1 . . . . . . . . 6167 1
924 . 1 1 82 82 ASP H H 1 8.1550 . . 1 . . . . . . . . 6167 1
925 . 1 1 82 82 ASP N N 15 117.6890 . . 1 . . . . . . . . 6167 1
926 . 1 1 82 82 ASP CA C 13 52.9770 . . 1 . . . . . . . . 6167 1
927 . 1 1 82 82 ASP HA H 1 4.669 . . 1 . . . . . . . . 6167 1
928 . 1 1 82 82 ASP C C 13 176.3730 . . 1 . . . . . . . . 6167 1
929 . 1 1 82 82 ASP CB C 13 40.483 . . 1 . . . . . . . . 6167 1
930 . 1 1 82 82 ASP HB3 H 1 2.374 . . 2 . . . . . . . . 6167 1
931 . 1 1 82 82 ASP HB2 H 1 3.079 . . 2 . . . . . . . . 6167 1
932 . 1 1 83 83 ARG H H 1 10.1770 . . 1 . . . . . . . . 6167 1
933 . 1 1 83 83 ARG N N 15 115.4740 . . 1 . . . . . . . . 6167 1
934 . 1 1 83 83 ARG CA C 13 57.82 . . 1 . . . . . . . . 6167 1
935 . 1 1 83 83 ARG HA H 1 3.614 . . 1 . . . . . . . . 6167 1
936 . 1 1 83 83 ARG C C 13 174.1010 . . 1 . . . . . . . . 6167 1
937 . 1 1 83 83 ARG CB C 13 26.6470 . . 1 . . . . . . . . 6167 1
938 . 1 1 83 83 ARG HB3 H 1 2.051 . . 2 . . . . . . . . 6167 1
939 . 1 1 83 83 ARG CG C 13 28.02 . . 1 . . . . . . . . 6167 1
940 . 1 1 83 83 ARG CD C 13 43.22 . . 1 . . . . . . . . 6167 1
941 . 1 1 83 83 ARG HB2 H 1 2.170 . . 2 . . . . . . . . 6167 1
942 . 1 1 83 83 ARG HG2 H 1 1.547 . . 1 . . . . . . . . 6167 1
943 . 1 1 83 83 ARG HD2 H 1 3.22 . . 1 . . . . . . . . 6167 1
944 . 1 1 84 84 LEU H H 1 7.8780 . . 1 . . . . . . . . 6167 1
945 . 1 1 84 84 LEU N N 15 117.1480 . . 1 . . . . . . . . 6167 1
946 . 1 1 84 84 LEU CA C 13 52.90 . . 1 . . . . . . . . 6167 1
947 . 1 1 84 84 LEU HA H 1 4.867 . . 1 . . . . . . . . 6167 1
948 . 1 1 84 84 LEU C C 13 176.9290 . . 1 . . . . . . . . 6167 1
949 . 1 1 84 84 LEU CB C 13 44.46 . . 1 . . . . . . . . 6167 1
950 . 1 1 84 84 LEU HB3 H 1 1.031 . . 2 . . . . . . . . 6167 1
951 . 1 1 84 84 LEU CG C 13 25.91 . . 1 . . . . . . . . 6167 1
952 . 1 1 84 84 LEU CD1 C 13 23.27 . . 2 . . . . . . . . 6167 1
953 . 1 1 84 84 LEU HD11 H 1 0.929 . . 2 . . . . . . . . 6167 1
954 . 1 1 84 84 LEU HD12 H 1 0.929 . . 2 . . . . . . . . 6167 1
955 . 1 1 84 84 LEU HD13 H 1 0.929 . . 2 . . . . . . . . 6167 1
956 . 1 1 84 84 LEU CD2 C 13 25.51 . . 2 . . . . . . . . 6167 1
957 . 1 1 84 84 LEU HD21 H 1 0.846 . . 2 . . . . . . . . 6167 1
958 . 1 1 84 84 LEU HD22 H 1 0.846 . . 2 . . . . . . . . 6167 1
959 . 1 1 84 84 LEU HD23 H 1 0.846 . . 2 . . . . . . . . 6167 1
960 . 1 1 84 84 LEU HG H 1 1.572 . . 1 . . . . . . . . 6167 1
961 . 1 1 84 84 LEU HB2 H 1 1.874 . . 2 . . . . . . . . 6167 1
962 . 1 1 85 85 VAL H H 1 9.0760 . . 1 . . . . . . . . 6167 1
963 . 1 1 85 85 VAL N N 15 124.8280 . . 1 . . . . . . . . 6167 1
964 . 1 1 85 85 VAL CA C 13 61.18 . . 1 . . . . . . . . 6167 1
965 . 1 1 85 85 VAL HA H 1 5.218 . . 1 . . . . . . . . 6167 1
966 . 1 1 85 85 VAL C C 13 176.4370 . . 1 . . . . . . . . 6167 1
967 . 1 1 85 85 VAL CB C 13 33.57 . . 1 . . . . . . . . 6167 1
968 . 1 1 85 85 VAL HB H 1 2.309 . . 1 . . . . . . . . 6167 1
969 . 1 1 85 85 VAL CG1 C 13 22.71 . . 2 . . . . . . . . 6167 1
970 . 1 1 85 85 VAL HG11 H 1 1.295 . . 2 . . . . . . . . 6167 1
971 . 1 1 85 85 VAL HG12 H 1 1.295 . . 2 . . . . . . . . 6167 1
972 . 1 1 85 85 VAL HG13 H 1 1.295 . . 2 . . . . . . . . 6167 1
973 . 1 1 85 85 VAL CG2 C 13 22.36 . . 2 . . . . . . . . 6167 1
974 . 1 1 85 85 VAL HG21 H 1 0.947 . . 2 . . . . . . . . 6167 1
975 . 1 1 85 85 VAL HG22 H 1 0.947 . . 2 . . . . . . . . 6167 1
976 . 1 1 85 85 VAL HG23 H 1 0.947 . . 2 . . . . . . . . 6167 1
977 . 1 1 86 86 THR H H 1 9.1300 . . 1 . . . . . . . . 6167 1
978 . 1 1 86 86 THR N N 15 119.0240 . . 1 . . . . . . . . 6167 1
979 . 1 1 86 86 THR CA C 13 60.8370 . . 1 . . . . . . . . 6167 1
980 . 1 1 86 86 THR HA H 1 4.878 . . 1 . . . . . . . . 6167 1
981 . 1 1 86 86 THR C C 13 175.2760 . . 1 . . . . . . . . 6167 1
982 . 1 1 86 86 THR CB C 13 71.3150 . . 1 . . . . . . . . 6167 1
983 . 1 1 86 86 THR HB H 1 4.878 . . 1 . . . . . . . . 6167 1
984 . 1 1 86 86 THR HG1 H 1 5.871 . . 1 . . . . . . . . 6167 1
985 . 1 1 86 86 THR CG2 C 13 22.605 . . 1 . . . . . . . . 6167 1
986 . 1 1 86 86 THR HG21 H 1 1.410 . . 1 . . . . . . . . 6167 1
987 . 1 1 86 86 THR HG22 H 1 1.410 . . 1 . . . . . . . . 6167 1
988 . 1 1 86 86 THR HG23 H 1 1.410 . . 1 . . . . . . . . 6167 1
989 . 1 1 87 87 LEU H H 1 8.0660 . . 1 . . . . . . . . 6167 1
990 . 1 1 87 87 LEU N N 15 122.5810 . . 1 . . . . . . . . 6167 1
991 . 1 1 87 87 LEU CA C 13 58.480 . . 1 . . . . . . . . 6167 1
992 . 1 1 87 87 LEU HA H 1 3.109 . . 1 . . . . . . . . 6167 1
993 . 1 1 87 87 LEU C C 13 178.0990 . . 1 . . . . . . . . 6167 1
994 . 1 1 87 87 LEU CB C 13 40.51 . . 1 . . . . . . . . 6167 1
995 . 1 1 87 87 LEU HB3 H 1 0.718 . . 2 . . . . . . . . 6167 1
996 . 1 1 87 87 LEU CG C 13 26.771 . . 1 . . . . . . . . 6167 1
997 . 1 1 87 87 LEU CD1 C 13 25.75 . . 2 . . . . . . . . 6167 1
998 . 1 1 87 87 LEU HD11 H 1 0.830 . . 2 . . . . . . . . 6167 1
999 . 1 1 87 87 LEU HD12 H 1 0.830 . . 2 . . . . . . . . 6167 1
1000 . 1 1 87 87 LEU HD13 H 1 0.830 . . 2 . . . . . . . . 6167 1
1001 . 1 1 87 87 LEU CD2 C 13 23.05 . . 2 . . . . . . . . 6167 1
1002 . 1 1 87 87 LEU HD21 H 1 0.488 . . 2 . . . . . . . . 6167 1
1003 . 1 1 87 87 LEU HD22 H 1 0.488 . . 2 . . . . . . . . 6167 1
1004 . 1 1 87 87 LEU HD23 H 1 0.488 . . 2 . . . . . . . . 6167 1
1005 . 1 1 87 87 LEU HG H 1 1.315 . . 1 . . . . . . . . 6167 1
1006 . 1 1 87 87 LEU HB2 H 1 1.541 . . 2 . . . . . . . . 6167 1
1007 . 1 1 88 88 GLU H H 1 8.5720 . . 1 . . . . . . . . 6167 1
1008 . 1 1 88 88 GLU N N 15 116.9870 . . 1 . . . . . . . . 6167 1
1009 . 1 1 88 88 GLU CA C 13 60.4880 . . 1 . . . . . . . . 6167 1
1010 . 1 1 88 88 GLU HA H 1 3.906 . . 1 . . . . . . . . 6167 1
1011 . 1 1 88 88 GLU C C 13 180.1320 . . 1 . . . . . . . . 6167 1
1012 . 1 1 88 88 GLU CB C 13 29.1280 . . 1 . . . . . . . . 6167 1
1013 . 1 1 88 88 GLU HB3 H 1 1.977 . . 2 . . . . . . . . 6167 1
1014 . 1 1 88 88 GLU CG C 13 36.821 . . 1 . . . . . . . . 6167 1
1015 . 1 1 88 88 GLU HB2 H 1 2.079 . . 2 . . . . . . . . 6167 1
1016 . 1 1 88 88 GLU HG2 H 1 2.273 . . 1 . . . . . . . . 6167 1
1017 . 1 1 89 89 GLU H H 1 8.0890 . . 1 . . . . . . . . 6167 1
1018 . 1 1 89 89 GLU N N 15 119.9300 . . 1 . . . . . . . . 6167 1
1019 . 1 1 89 89 GLU CA C 13 58.943 . . 1 . . . . . . . . 6167 1
1020 . 1 1 89 89 GLU HA H 1 4.153 . . 1 . . . . . . . . 6167 1
1021 . 1 1 89 89 GLU C C 13 180.4480 . . 1 . . . . . . . . 6167 1
1022 . 1 1 89 89 GLU CB C 13 29.4590 . . 1 . . . . . . . . 6167 1
1023 . 1 1 89 89 GLU HB3 H 1 2.408 . . 2 . . . . . . . . 6167 1
1024 . 1 1 89 89 GLU CG C 13 36.945 . . 1 . . . . . . . . 6167 1
1025 . 1 1 89 89 GLU HB2 H 1 2.607 . . 2 . . . . . . . . 6167 1
1026 . 1 1 89 89 GLU HG2 H 1 2.591 . . 1 . . . . . . . . 6167 1
1027 . 1 1 90 90 PHE H H 1 8.9790 . . 1 . . . . . . . . 6167 1
1028 . 1 1 90 90 PHE N N 15 121.5900 . . 1 . . . . . . . . 6167 1
1029 . 1 1 90 90 PHE CA C 13 62.13 . . 1 . . . . . . . . 6167 1
1030 . 1 1 90 90 PHE HA H 1 4.168 . . 1 . . . . . . . . 6167 1
1031 . 1 1 90 90 PHE C C 13 179.1340 . . 1 . . . . . . . . 6167 1
1032 . 1 1 90 90 PHE CB C 13 40.18 . . 1 . . . . . . . . 6167 1
1033 . 1 1 90 90 PHE CD1 C 13 132.26 . . 1 . . . . . . . . 6167 1
1034 . 1 1 90 90 PHE HD1 H 1 7.203 . . 1 . . . . . . . . 6167 1
1035 . 1 1 90 90 PHE CD2 C 13 132.26 . . 1 . . . . . . . . 6167 1
1036 . 1 1 90 90 PHE HD2 H 1 7.203 . . 1 . . . . . . . . 6167 1
1037 . 1 1 90 90 PHE CE1 C 13 131.767 . . 1 . . . . . . . . 6167 1
1038 . 1 1 90 90 PHE HE1 H 1 6.645 . . 1 . . . . . . . . 6167 1
1039 . 1 1 90 90 PHE CE2 C 13 131.767 . . 1 . . . . . . . . 6167 1
1040 . 1 1 90 90 PHE HE2 H 1 6.645 . . 1 . . . . . . . . 6167 1
1041 . 1 1 90 90 PHE CZ C 13 130.947 . . 1 . . . . . . . . 6167 1
1042 . 1 1 90 90 PHE HZ H 1 7.118 . . 1 . . . . . . . . 6167 1
1043 . 1 1 90 90 PHE HB2 H 1 3.289 . . 1 . . . . . . . . 6167 1
1044 . 1 1 91 91 LEU H H 1 9.4180 . . 1 . . . . . . . . 6167 1
1045 . 1 1 91 91 LEU N N 15 120.1810 . . 1 . . . . . . . . 6167 1
1046 . 1 1 91 91 LEU CA C 13 57.71 . . 1 . . . . . . . . 6167 1
1047 . 1 1 91 91 LEU HA H 1 3.911 . . 1 . . . . . . . . 6167 1
1048 . 1 1 91 91 LEU C C 13 180.0150 . . 1 . . . . . . . . 6167 1
1049 . 1 1 91 91 LEU CB C 13 40.846 . . 1 . . . . . . . . 6167 1
1050 . 1 1 91 91 LEU HB3 H 1 1.494 . . 2 . . . . . . . . 6167 1
1051 . 1 1 91 91 LEU CG C 13 26.79 . . 1 . . . . . . . . 6167 1
1052 . 1 1 91 91 LEU CD1 C 13 25.58 . . 2 . . . . . . . . 6167 1
1053 . 1 1 91 91 LEU HD11 H 1 0.859 . . 2 . . . . . . . . 6167 1
1054 . 1 1 91 91 LEU HD12 H 1 0.859 . . 2 . . . . . . . . 6167 1
1055 . 1 1 91 91 LEU HD13 H 1 0.859 . . 2 . . . . . . . . 6167 1
1056 . 1 1 91 91 LEU CD2 C 13 22.54 . . 2 . . . . . . . . 6167 1
1057 . 1 1 91 91 LEU HD21 H 1 0.843 . . 2 . . . . . . . . 6167 1
1058 . 1 1 91 91 LEU HD22 H 1 0.843 . . 2 . . . . . . . . 6167 1
1059 . 1 1 91 91 LEU HD23 H 1 0.843 . . 2 . . . . . . . . 6167 1
1060 . 1 1 91 91 LEU HG H 1 1.926 . . 1 . . . . . . . . 6167 1
1061 . 1 1 91 91 LEU HB2 H 1 1.884 . . 2 . . . . . . . . 6167 1
1062 . 1 1 92 92 ALA H H 1 8.0800 . . 1 . . . . . . . . 6167 1
1063 . 1 1 92 92 ALA N N 15 121.0150 . . 1 . . . . . . . . 6167 1
1064 . 1 1 92 92 ALA CA C 13 54.73 . . 1 . . . . . . . . 6167 1
1065 . 1 1 92 92 ALA HA H 1 4.211 . . 1 . . . . . . . . 6167 1
1066 . 1 1 92 92 ALA C C 13 179.8250 . . 1 . . . . . . . . 6167 1
1067 . 1 1 92 92 ALA CB C 13 18.07 . . 1 . . . . . . . . 6167 1
1068 . 1 1 92 92 ALA HB1 H 1 1.559 . . 1 . . . . . . . . 6167 1
1069 . 1 1 92 92 ALA HB2 H 1 1.559 . . 1 . . . . . . . . 6167 1
1070 . 1 1 92 92 ALA HB3 H 1 1.559 . . 1 . . . . . . . . 6167 1
1071 . 1 1 93 93 SER H H 1 7.6090 . . 1 . . . . . . . . 6167 1
1072 . 1 1 93 93 SER N N 15 111.6280 . . 1 . . . . . . . . 6167 1
1073 . 1 1 93 93 SER CA C 13 60.4500 . . 1 . . . . . . . . 6167 1
1074 . 1 1 93 93 SER HA H 1 4.538 . . 1 . . . . . . . . 6167 1
1075 . 1 1 93 93 SER C C 13 175.2690 . . 1 . . . . . . . . 6167 1
1076 . 1 1 93 93 SER CB C 13 64.4420 . . 1 . . . . . . . . 6167 1
1077 . 1 1 93 93 SER HB2 H 1 4.133 . . 1 . . . . . . . . 6167 1
1078 . 1 1 94 94 THR H H 1 7.4890 . . 1 . . . . . . . . 6167 1
1079 . 1 1 94 94 THR N N 15 111.3940 . . 1 . . . . . . . . 6167 1
1080 . 1 1 94 94 THR CA C 13 62.4990 . . 1 . . . . . . . . 6167 1
1081 . 1 1 94 94 THR HA H 1 4.424 . . 1 . . . . . . . . 6167 1
1082 . 1 1 94 94 THR C C 13 174.6860 . . 1 . . . . . . . . 6167 1
1083 . 1 1 94 94 THR CB C 13 69.7740 . . 1 . . . . . . . . 6167 1
1084 . 1 1 94 94 THR HB H 1 4.238 . . 1 . . . . . . . . 6167 1
1085 . 1 1 94 94 THR CG2 C 13 21.68 . . 1 . . . . . . . . 6167 1
1086 . 1 1 94 94 THR HG21 H 1 0.833 . . 1 . . . . . . . . 6167 1
1087 . 1 1 94 94 THR HG22 H 1 0.833 . . 1 . . . . . . . . 6167 1
1088 . 1 1 94 94 THR HG23 H 1 0.833 . . 1 . . . . . . . . 6167 1
1089 . 1 1 95 95 GLN H H 1 7.5930 . . 1 . . . . . . . . 6167 1
1090 . 1 1 95 95 GLN N N 15 120.2990 . . 1 . . . . . . . . 6167 1
1091 . 1 1 95 95 GLN CA C 13 55.99 . . 1 . . . . . . . . 6167 1
1092 . 1 1 95 95 GLN HA H 1 4.378 . . 1 . . . . . . . . 6167 1
1093 . 1 1 95 95 GLN C C 13 175.7560 . . 1 . . . . . . . . 6167 1
1094 . 1 1 95 95 GLN CB C 13 29.4090 . . 1 . . . . . . . . 6167 1
1095 . 1 1 95 95 GLN HB3 H 1 2.073 . . 2 . . . . . . . . 6167 1
1096 . 1 1 95 95 GLN CG C 13 33.785 . . 1 . . . . . . . . 6167 1
1097 . 1 1 95 95 GLN NE2 N 15 111.56 . . 1 . . . . . . . . 6167 1
1098 . 1 1 95 95 GLN HE21 H 1 7.414 . . 2 . . . . . . . . 6167 1
1099 . 1 1 95 95 GLN HE22 H 1 6.798 . . 2 . . . . . . . . 6167 1
1100 . 1 1 95 95 GLN HB2 H 1 2.189 . . 2 . . . . . . . . 6167 1
1101 . 1 1 95 95 GLN HG2 H 1 2.431 . . 1 . . . . . . . . 6167 1
1102 . 1 1 96 96 ARG H H 1 8.1090 . . 1 . . . . . . . . 6167 1
1103 . 1 1 96 96 ARG N N 15 121.5670 . . 1 . . . . . . . . 6167 1
1104 . 1 1 96 96 ARG CA C 13 56.22 . . 1 . . . . . . . . 6167 1
1105 . 1 1 96 96 ARG HA H 1 4.336 . . 1 . . . . . . . . 6167 1
1106 . 1 1 96 96 ARG C C 13 175.9520 . . 1 . . . . . . . . 6167 1
1107 . 1 1 96 96 ARG CB C 13 30.91 . . 1 . . . . . . . . 6167 1
1108 . 1 1 96 96 ARG CG C 13 27.35 . . 1 . . . . . . . . 6167 1
1109 . 1 1 96 96 ARG HG3 H 1 1.642 . . 2 . . . . . . . . 6167 1
1110 . 1 1 96 96 ARG CD C 13 43.37 . . 1 . . . . . . . . 6167 1
1111 . 1 1 96 96 ARG HB2 H 1 1.831 . . 1 . . . . . . . . 6167 1
1112 . 1 1 96 96 ARG HG2 H 1 1.68 . . 2 . . . . . . . . 6167 1
1113 . 1 1 96 96 ARG HD3 H 1 3.204 . . 1 . . . . . . . . 6167 1
1114 . 1 1 97 97 LYS H H 1 8.361 . . 1 . . . . . . . . 6167 1
1115 . 1 1 97 97 LYS N N 15 122.4208 . . 1 . . . . . . . . 6167 1
1116 . 1 1 97 97 LYS CA C 13 56.0510 . . 1 . . . . . . . . 6167 1
1117 . 1 1 97 97 LYS HA H 1 4.295 . . 1 . . . . . . . . 6167 1
1118 . 1 1 97 97 LYS C C 13 176.0880 . . 1 . . . . . . . . 6167 1
1119 . 1 1 97 97 LYS CB C 13 32.9360 . . 1 . . . . . . . . 6167 1
1120 . 1 1 97 97 LYS CG C 13 24.60 . . 1 . . . . . . . . 6167 1
1121 . 1 1 97 97 LYS CD C 13 29.23 . . 1 . . . . . . . . 6167 1
1122 . 1 1 97 97 LYS CE C 13 41.86 . . 1 . . . . . . . . 6167 1
1123 . 1 1 97 97 LYS HB2 H 1 1.717 . . 1 . . . . . . . . 6167 1
1124 . 1 1 97 97 LYS HG2 H 1 1.323 . . 1 . . . . . . . . 6167 1
1125 . 1 1 97 97 LYS HD2 H 1 1.597 . . 1 . . . . . . . . 6167 1
1126 . 1 1 97 97 LYS HE2 H 1 2.912 . . 1 . . . . . . . . 6167 1
1127 . 1 1 98 98 GLU H H 1 8.2640 . . 1 . . . . . . . . 6167 1
1128 . 1 1 98 98 GLU N N 15 121.3650 . . 1 . . . . . . . . 6167 1
1129 . 1 1 98 98 GLU CA C 13 56.4750 . . 1 . . . . . . . . 6167 1
1130 . 1 1 98 98 GLU HA H 1 4.293 . . 1 . . . . . . . . 6167 1
1131 . 1 1 98 98 GLU C C 13 174.9670 . . 1 . . . . . . . . 6167 1
1132 . 1 1 98 98 GLU CB C 13 30.7120 . . 1 . . . . . . . . 6167 1
1133 . 1 1 98 98 GLU HB3 H 1 1.855 . . 2 . . . . . . . . 6167 1
1134 . 1 1 98 98 GLU CG C 13 36.13 . . 1 . . . . . . . . 6167 1
1135 . 1 1 98 98 GLU HG3 H 1 2.179 . . 2 . . . . . . . . 6167 1
1136 . 1 1 98 98 GLU HB2 H 1 2.014 . . 2 . . . . . . . . 6167 1
1137 . 1 1 98 98 GLU HG2 H 1 2.210 . . 2 . . . . . . . . 6167 1
1138 . 1 1 99 99 PHE H H 1 7.6910 . . 1 . . . . . . . . 6167 1
1139 . 1 1 99 99 PHE N N 15 124.8790 . . 1 . . . . . . . . 6167 1
1140 . 1 1 99 99 PHE CA C 13 59.13 . . 1 . . . . . . . . 6167 1
1141 . 1 1 99 99 PHE HA H 1 4.423 . . 1 . . . . . . . . 6167 1
1142 . 1 1 99 99 PHE CB C 13 40.6 . . 1 . . . . . . . . 6167 1
1143 . 1 1 99 99 PHE HB3 H 1 3.146 . . 2 . . . . . . . . 6167 1
1144 . 1 1 99 99 PHE CD1 C 13 132.053 . . 1 . . . . . . . . 6167 1
1145 . 1 1 99 99 PHE HD1 H 1 7.22 . . 1 . . . . . . . . 6167 1
1146 . 1 1 99 99 PHE CD2 C 13 132.053 . . 1 . . . . . . . . 6167 1
1147 . 1 1 99 99 PHE HD2 H 1 7.22 . . 1 . . . . . . . . 6167 1
1148 . 1 1 99 99 PHE HE1 H 1 7.157 . . 1 . . . . . . . . 6167 1
1149 . 1 1 99 99 PHE HE2 H 1 7.157 . . 1 . . . . . . . . 6167 1
1150 . 1 1 99 99 PHE CZ C 13 129.55 . . 1 . . . . . . . . 6167 1
1151 . 1 1 99 99 PHE HZ H 1 6.369 . . 1 . . . . . . . . 6167 1
1152 . 1 1 99 99 PHE HB2 H 1 3.017 . . 2 . . . . . . . . 6167 1
stop_
save_