data_6508
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 6508
_Entry.Title
;
complex structure of PCAF bromodomain with small chemical ligand NP1
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2005-02-17
_Entry.Accession_date 2005-02-23
_Entry.Last_release_date 2005-08-19
_Entry.Original_release_date 2005-08-19
_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 L. Zeng . . . 6508
2 J. Li . . . 6508
3 M. Muller . . . 6508
4 S. Yan . . . 6508
5 S. Mujtaba . . . 6508
6 C. Pan . . . 6508
7 Z. Wang . . . 6508
8 M. Zhou . M. . 6508
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 2 6508
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 408 6508
'15N chemical shifts' 107 6508
'1H chemical shifts' 765 6508
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2005-08-19 2005-02-17 original author . 6508
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 6507 'PCAF with NP2' 6508
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 6508
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 15724976
_Citation.Full_citation .
_Citation.Title 'Selective small molecules blocking HIV-1 Tat and coactivator PCAF association'
_Citation.Status submitted
_Citation.Type journal
_Citation.Journal_abbrev 'J. Am. Chem. Soc.'
_Citation.Journal_name_full .
_Citation.Journal_volume 127(8)
_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 2376
_Citation.Page_last 2377
_Citation.Year 2005
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 L. Zeng . . . 6508 1
2 J. Li . . . 6508 1
3 M. Muller . . . 6508 1
4 S. Yan . . . 6508 1
5 S. Mujtaba . . . 6508 1
6 C. Pan . . . 6508 1
7 Z. Wang . . . 6508 1
8 M. Zhou . M. . 6508 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
BROMODOMAIN 6508 1
'CHEMICAL LIGAND' 6508 1
HISTONE-ACETYLTRANSFERASE 6508 1
NMR-STRUCTURE 6508 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system
_Assembly.Entry_ID 6508
_Assembly.ID 1
_Assembly.Name 'Histone acetylatransferase PCAF (E.C.2.3.1.48)'
_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 reported'
_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 6508 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 'Histone acetylatransferase' 1 $PCAF . . . . . . . . . 6508 1
2 'CALCIUM (II) ION' 2 $CA_2+ . . . . . . . . . 6508 1
3 NP1 3 $NP1 . . . . . . . . . 6508 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 1WUG . . . . . . 6508 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
'Histone acetylatransferase PCAF (E.C.2.3.1.48)' system 6508 1
PCAF abbreviation 6508 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_PCAF
_Entity.Sf_category entity
_Entity.Sf_framecode PCAF
_Entity.Entry_ID 6508
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'Histone acetylatransferase PCAF (E.C.2.3.1.48)'
_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
;
GSHMSKEPRDPDQLYSTLKS
ILQQVKSHQSAWPFMEPVKR
TEAPGYYEVIRFPMDLKTMS
ERLKNRYYVSKKLFMADLQR
VFTNCKEYNPPESEYYKCAN
ILEKFFFSKIKEAGLIDK
;
_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 118
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'not reported'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-01-28
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no BMRB 4312 . brd_monomer . . . . . 100.00 118 98.31 98.31 1.63e-79 . . . . 6508 1
2 no BMRB 6507 . PCAF . . . . . 100.00 118 100.00 100.00 1.47e-81 . . . . 6508 1
3 no PDB 1JM4 . "Nmr Structure Of PCAF BROMODOMAIN IN COMPLEX WITH HIV-1 Tat Peptide" . . . . . 100.00 118 100.00 100.00 1.47e-81 . . . . 6508 1
4 no PDB 1N72 . "Structure And Ligand Of A Histone Acetyltransferase Bromodomain" . . . . . 100.00 118 100.00 100.00 1.47e-81 . . . . 6508 1
5 no PDB 1WUG . "Complex Structure Of Pcaf Bromodomain With Small Chemical Ligand Np1" . . . . . 100.00 118 100.00 100.00 1.47e-81 . . . . 6508 1
6 no PDB 1WUM . "Complex Structure Of Pcaf Bromodomain With Small Chemical Ligand Np2" . . . . . 100.00 118 100.00 100.00 1.47e-81 . . . . 6508 1
7 no PDB 1ZS5 . "Structure-Based Evaluation Of Selective And Non-Selective Small Molecules That Block Hiv-1 Tat And Pcaf Association" . . . . . 100.00 118 100.00 100.00 1.47e-81 . . . . 6508 1
8 no PDB 2RNW . "The Structural Basis For Site-Specific Lysine-Acetylated Histone Recognition By The Bromodomains Of The Human Transcriptional C" . . . . . 100.00 118 100.00 100.00 1.47e-81 . . . . 6508 1
9 no PDB 2RNX . "The Structural Basis For Site-Specific Lysine-Acetylated Histone Recognition By The Bromodomains Of The Human Transcriptional C" . . . . . 100.00 118 100.00 100.00 1.47e-81 . . . . 6508 1
10 no PDB 3GG3 . "Crystal Structure Of The Bromodomain Of Human Pcaf" . . . . . 99.15 119 97.44 97.44 5.84e-78 . . . . 6508 1
11 no DBJ BAI45566 . "K(lysine) acetyltransferase 2B [synthetic construct]" . . . . . 100.00 832 97.46 97.46 4.46e-72 . . . . 6508 1
12 no GB AAH60823 . "K(lysine) acetyltransferase 2B [Homo sapiens]" . . . . . 100.00 832 97.46 97.46 4.46e-72 . . . . 6508 1
13 no GB AAH70075 . "K(lysine) acetyltransferase 2B [Homo sapiens]" . . . . . 100.00 832 97.46 97.46 4.46e-72 . . . . 6508 1
14 no GB EAW64305 . "p300/CBP-associated factor, isoform CRA_a, partial [Homo sapiens]" . . . . . 100.00 825 97.46 97.46 5.76e-72 . . . . 6508 1
15 no GB EHH16790 . "hypothetical protein EGK_12137 [Macaca mulatta]" . . . . . 100.00 675 97.46 97.46 1.39e-72 . . . . 6508 1
16 no GB EHH51702 . "hypothetical protein EGM_11131 [Macaca fascicularis]" . . . . . 100.00 675 97.46 97.46 1.39e-72 . . . . 6508 1
17 no REF NP_003875 . "histone acetyltransferase KAT2B [Homo sapiens]" . . . . . 100.00 832 97.46 97.46 4.46e-72 . . . . 6508 1
18 no REF XP_001086807 . "PREDICTED: histone acetyltransferase KAT2B-like [Macaca mulatta]" . . . . . 100.00 858 97.46 97.46 1.24e-71 . . . . 6508 1
19 no REF XP_002814059 . "PREDICTED: histone acetyltransferase KAT2B-like, partial [Pongo abelii]" . . . . . 100.00 252 97.46 97.46 1.07e-76 . . . . 6508 1
20 no REF XP_003257301 . "PREDICTED: histone acetyltransferase KAT2B [Nomascus leucogenys]" . . . . . 100.00 811 97.46 97.46 3.89e-72 . . . . 6508 1
21 no REF XP_003480051 . "PREDICTED: histone acetyltransferase KAT2B [Cavia porcellus]" . . . . . 100.00 771 97.46 97.46 5.87e-72 . . . . 6508 1
22 no SP Q92831 . "RecName: Full=Histone acetyltransferase KAT2B; AltName: Full=Histone acetyltransferase PCAF; Short=Histone acetylase PCAF; AltN" . . . . . 100.00 832 97.46 97.46 4.46e-72 . . . . 6508 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'Histone acetylatransferase PCAF (E.C.2.3.1.48)' common 6508 1
PCAF abbreviation 6508 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . GLY . 6508 1
2 . SER . 6508 1
3 . HIS . 6508 1
4 . MET . 6508 1
5 . SER . 6508 1
6 . LYS . 6508 1
7 . GLU . 6508 1
8 . PRO . 6508 1
9 . ARG . 6508 1
10 . ASP . 6508 1
11 . PRO . 6508 1
12 . ASP . 6508 1
13 . GLN . 6508 1
14 . LEU . 6508 1
15 . TYR . 6508 1
16 . SER . 6508 1
17 . THR . 6508 1
18 . LEU . 6508 1
19 . LYS . 6508 1
20 . SER . 6508 1
21 . ILE . 6508 1
22 . LEU . 6508 1
23 . GLN . 6508 1
24 . GLN . 6508 1
25 . VAL . 6508 1
26 . LYS . 6508 1
27 . SER . 6508 1
28 . HIS . 6508 1
29 . GLN . 6508 1
30 . SER . 6508 1
31 . ALA . 6508 1
32 . TRP . 6508 1
33 . PRO . 6508 1
34 . PHE . 6508 1
35 . MET . 6508 1
36 . GLU . 6508 1
37 . PRO . 6508 1
38 . VAL . 6508 1
39 . LYS . 6508 1
40 . ARG . 6508 1
41 . THR . 6508 1
42 . GLU . 6508 1
43 . ALA . 6508 1
44 . PRO . 6508 1
45 . GLY . 6508 1
46 . TYR . 6508 1
47 . TYR . 6508 1
48 . GLU . 6508 1
49 . VAL . 6508 1
50 . ILE . 6508 1
51 . ARG . 6508 1
52 . PHE . 6508 1
53 . PRO . 6508 1
54 . MET . 6508 1
55 . ASP . 6508 1
56 . LEU . 6508 1
57 . LYS . 6508 1
58 . THR . 6508 1
59 . MET . 6508 1
60 . SER . 6508 1
61 . GLU . 6508 1
62 . ARG . 6508 1
63 . LEU . 6508 1
64 . LYS . 6508 1
65 . ASN . 6508 1
66 . ARG . 6508 1
67 . TYR . 6508 1
68 . TYR . 6508 1
69 . VAL . 6508 1
70 . SER . 6508 1
71 . LYS . 6508 1
72 . LYS . 6508 1
73 . LEU . 6508 1
74 . PHE . 6508 1
75 . MET . 6508 1
76 . ALA . 6508 1
77 . ASP . 6508 1
78 . LEU . 6508 1
79 . GLN . 6508 1
80 . ARG . 6508 1
81 . VAL . 6508 1
82 . PHE . 6508 1
83 . THR . 6508 1
84 . ASN . 6508 1
85 . CYS . 6508 1
86 . LYS . 6508 1
87 . GLU . 6508 1
88 . TYR . 6508 1
89 . ASN . 6508 1
90 . PRO . 6508 1
91 . PRO . 6508 1
92 . GLU . 6508 1
93 . SER . 6508 1
94 . GLU . 6508 1
95 . TYR . 6508 1
96 . TYR . 6508 1
97 . LYS . 6508 1
98 . CYS . 6508 1
99 . ALA . 6508 1
100 . ASN . 6508 1
101 . ILE . 6508 1
102 . LEU . 6508 1
103 . GLU . 6508 1
104 . LYS . 6508 1
105 . PHE . 6508 1
106 . PHE . 6508 1
107 . PHE . 6508 1
108 . SER . 6508 1
109 . LYS . 6508 1
110 . ILE . 6508 1
111 . LYS . 6508 1
112 . GLU . 6508 1
113 . ALA . 6508 1
114 . GLY . 6508 1
115 . LEU . 6508 1
116 . ILE . 6508 1
117 . ASP . 6508 1
118 . LYS . 6508 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 6508 1
. SER 2 2 6508 1
. HIS 3 3 6508 1
. MET 4 4 6508 1
. SER 5 5 6508 1
. LYS 6 6 6508 1
. GLU 7 7 6508 1
. PRO 8 8 6508 1
. ARG 9 9 6508 1
. ASP 10 10 6508 1
. PRO 11 11 6508 1
. ASP 12 12 6508 1
. GLN 13 13 6508 1
. LEU 14 14 6508 1
. TYR 15 15 6508 1
. SER 16 16 6508 1
. THR 17 17 6508 1
. LEU 18 18 6508 1
. LYS 19 19 6508 1
. SER 20 20 6508 1
. ILE 21 21 6508 1
. LEU 22 22 6508 1
. GLN 23 23 6508 1
. GLN 24 24 6508 1
. VAL 25 25 6508 1
. LYS 26 26 6508 1
. SER 27 27 6508 1
. HIS 28 28 6508 1
. GLN 29 29 6508 1
. SER 30 30 6508 1
. ALA 31 31 6508 1
. TRP 32 32 6508 1
. PRO 33 33 6508 1
. PHE 34 34 6508 1
. MET 35 35 6508 1
. GLU 36 36 6508 1
. PRO 37 37 6508 1
. VAL 38 38 6508 1
. LYS 39 39 6508 1
. ARG 40 40 6508 1
. THR 41 41 6508 1
. GLU 42 42 6508 1
. ALA 43 43 6508 1
. PRO 44 44 6508 1
. GLY 45 45 6508 1
. TYR 46 46 6508 1
. TYR 47 47 6508 1
. GLU 48 48 6508 1
. VAL 49 49 6508 1
. ILE 50 50 6508 1
. ARG 51 51 6508 1
. PHE 52 52 6508 1
. PRO 53 53 6508 1
. MET 54 54 6508 1
. ASP 55 55 6508 1
. LEU 56 56 6508 1
. LYS 57 57 6508 1
. THR 58 58 6508 1
. MET 59 59 6508 1
. SER 60 60 6508 1
. GLU 61 61 6508 1
. ARG 62 62 6508 1
. LEU 63 63 6508 1
. LYS 64 64 6508 1
. ASN 65 65 6508 1
. ARG 66 66 6508 1
. TYR 67 67 6508 1
. TYR 68 68 6508 1
. VAL 69 69 6508 1
. SER 70 70 6508 1
. LYS 71 71 6508 1
. LYS 72 72 6508 1
. LEU 73 73 6508 1
. PHE 74 74 6508 1
. MET 75 75 6508 1
. ALA 76 76 6508 1
. ASP 77 77 6508 1
. LEU 78 78 6508 1
. GLN 79 79 6508 1
. ARG 80 80 6508 1
. VAL 81 81 6508 1
. PHE 82 82 6508 1
. THR 83 83 6508 1
. ASN 84 84 6508 1
. CYS 85 85 6508 1
. LYS 86 86 6508 1
. GLU 87 87 6508 1
. TYR 88 88 6508 1
. ASN 89 89 6508 1
. PRO 90 90 6508 1
. PRO 91 91 6508 1
. GLU 92 92 6508 1
. SER 93 93 6508 1
. GLU 94 94 6508 1
. TYR 95 95 6508 1
. TYR 96 96 6508 1
. LYS 97 97 6508 1
. CYS 98 98 6508 1
. ALA 99 99 6508 1
. ASN 100 100 6508 1
. ILE 101 101 6508 1
. LEU 102 102 6508 1
. GLU 103 103 6508 1
. LYS 104 104 6508 1
. PHE 105 105 6508 1
. PHE 106 106 6508 1
. PHE 107 107 6508 1
. SER 108 108 6508 1
. LYS 109 109 6508 1
. ILE 110 110 6508 1
. LYS 111 111 6508 1
. GLU 112 112 6508 1
. ALA 113 113 6508 1
. GLY 114 114 6508 1
. LEU 115 115 6508 1
. ILE 116 116 6508 1
. ASP 117 117 6508 1
. LYS 118 118 6508 1
stop_
save_
save_CA_2+
_Entity.Sf_category entity
_Entity.Sf_framecode CA_2+
_Entity.Entry_ID 6508
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name 'CALCIUM (II) ION'
_Entity.Type non-polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type .
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code .
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label $chem_comp_CA_2+
_Entity.Number_of_monomers 1
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state .
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
Ca abbreviation 6508 2
'CALCIUM (II) ION' common 6508 2
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . CA_2+ . 6508 2
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. CA_2+ 1 1 6508 2
stop_
save_
save_NP1
_Entity.Sf_category entity
_Entity.Sf_framecode NP1
_Entity.Entry_ID 6508
_Entity.ID 3
_Entity.BMRB_code .
_Entity.Name NP1
_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 NP1
_Entity.Nonpolymer_comp_label $chem_comp_NP1
_Entity.Number_of_monomers .
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state .
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
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 . NP1 . 6508 3
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 6508
_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 $PCAF . 9606 . . 'Homon sapiens' Human . . Eukaryota Metazoa Homon sapiens . . . . . . . . . . . . . . . . . . . . . 6508 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 6508
_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 $PCAF . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6508 1
stop_
save_
#################################
# Polymer residues and ligands #
#################################
save_chem_comp_CA_2+
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_CA_2+
_Chem_comp.Entry_ID 6508
_Chem_comp.ID CA_2+
_Chem_comp.Provenance .
_Chem_comp.Name 'CALCIUM (II) ION'
_Chem_comp.Type non-polymer
_Chem_comp.BMRB_code CA_2+
_Chem_comp.PDB_code CA
_Chem_comp.Ambiguous_flag .
_Chem_comp.Initial_date .
_Chem_comp.Modified_date .
_Chem_comp.Release_status .
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code .
_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 no
_Chem_comp.Aromatic no
_Chem_comp.Formula CA1
_Chem_comp.Formula_weight .
_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 .
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag .
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site .
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details .
_Chem_comp.DB_query_date .
_Chem_comp.DB_last_query_revised_last_date .
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
Ca abbreviation 6508 CA_2+
'CALCIUM (II) ION' common 6508 CA_2+
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 . . . 2+ . . . . . . . . . . . . . . . . . . . . . 6508 CA_2+
stop_
loop_
_Atom_nomenclature.Atom_ID
_Atom_nomenclature.Atom_name
_Atom_nomenclature.Naming_system
_Atom_nomenclature.Entry_ID
_Atom_nomenclature.Comp_ID
. CA . 6508 CA_2+
stop_
save_
save_chem_comp_NP1
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_NP1
_Chem_comp.Entry_ID 6508
_Chem_comp.ID NP1
_Chem_comp.Provenance .
_Chem_comp.Name N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE
_Chem_comp.Type non-polymer
_Chem_comp.BMRB_code .
_Chem_comp.PDB_code NP1
_Chem_comp.Ambiguous_flag no
_Chem_comp.Initial_date 2005-01-17
_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 NP1
_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 0
_Chem_comp.Paramagnetic .
_Chem_comp.Aromatic yes
_Chem_comp.Formula 'C10 H15 N3 O2'
_Chem_comp.Formula_weight 209.245
_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 1WUG
_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 Thu Jun 9 15:08:02 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
Cc1ccc(c(c1)[N+](=O)[O-])NCCCN SMILES 'OpenEye OEToolkits' 1.5.0 6508 NP1
Cc1ccc(c(c1)[N+](=O)[O-])NCCCN SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6508 NP1
Cc1ccc(NCCCN)c(c1)[N+]([O-])=O SMILES CACTVS 3.341 6508 NP1
Cc1ccc(NCCCN)c(c1)[N+]([O-])=O SMILES_CANONICAL CACTVS 3.341 6508 NP1
FKZUPMCBVURANR-UHFFFAOYSA-N InChIKey InChI 1.03 6508 NP1
InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3 InChI InChI 1.03 6508 NP1
[O-][N+](=O)c1cc(ccc1NCCCN)C SMILES ACDLabs 10.04 6508 NP1
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
N-(4-methyl-2-nitro-phenyl)propane-1,3-diamine 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6508 NP1
N-(4-methyl-2-nitrophenyl)propane-1,3-diamine 'SYSTEMATIC NAME' ACDLabs 10.04 6508 NP1
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
NZ . NZ . . N . . N 0 . . . . no no . . . . -3.638 . 10.305 . -11.745 . -5.799 0.138 -0.067 1 . 6508 NP1
CA . CA . . C . . N 0 . . . . no no . . . . -3.822 . 10.221 . -10.263 . -4.546 0.902 -0.004 2 . 6508 NP1
CB . CB . . C . . N 0 . . . . no no . . . . -5.316 . 10.463 . -10.023 . -3.359 -0.060 -0.078 3 . 6508 NP1
CG . CG . . C . . N 0 . . . . no no . . . . -6.136 . 9.440 . -10.817 . -2.053 0.735 -0.012 4 . 6508 NP1
NE . NE . . N . . N 0 . . . . no no . . . . -7.437 . 10.118 . -11.107 . -0.916 -0.187 -0.084 5 . 6508 NP1
CD . CD . . C . . N 0 . . . . yes no . . . . -8.221 . 10.536 . -10.112 . 0.389 0.310 -0.041 6 . 6508 NP1
CE1 . CE1 . . C . . N 0 . . . . yes no . . . . -7.979 . 11.794 . -9.506 . 0.613 1.681 -0.055 7 . 6508 NP1
CE2 . CE2 . . C . . N 0 . . . . yes no . . . . -9.325 . 9.751 . -9.687 . 1.465 -0.566 0.014 8 . 6508 NP1
NO2 . NO2 . . N . . N 1 . . . . no no . . . . -9.577 . 8.573 . -10.249 . 1.231 -2.027 0.028 9 . 6508 NP1
OC1 . OC1 . . O . . N 0 . . . . no no . . . . -8.747 . 8.084 . -11.293 . 1.983 -2.771 -0.577 10 . 6508 NP1
OC2 . OC2 . . O . . N -1 . . . . no no . . . . -10.683 . 7.802 . -9.797 . 0.287 -2.487 0.645 11 . 6508 NP1
CR1 . CR1 . . C . . N 0 . . . . yes no . . . . -8.819 . 12.252 . -8.465 . 1.904 2.168 -0.013 12 . 6508 NP1
CR2 . CR2 . . C . . N 0 . . . . yes no . . . . -10.163 . 10.215 . -8.648 . 2.754 -0.072 0.050 13 . 6508 NP1
CZ . CZ . . C . . N 0 . . . . yes no . . . . -9.910 . 11.463 . -8.038 . 2.974 1.293 0.042 14 . 6508 NP1
CM . CM . . C . . N 0 . . . . no no . . . . -10.811 . 11.954 . -6.936 . 4.382 1.829 0.086 15 . 6508 NP1
HNZ1 . HNZ1 . . H . . N 0 . . . . no no . . . . -3.984 . 11.174 . -12.153 . -5.845 -0.414 0.776 16 . 6508 NP1
HNZ2 . HNZ2 . . H . . N 0 . . . . no no . . . . -2.643 . 10.144 . -11.905 . -6.551 0.810 -0.015 17 . 6508 NP1
HA1 . HA1 . . H . . N 0 . . . . no no . . . . -3.158 . 10.909 . -9.689 . -4.506 1.457 0.933 18 . 6508 NP1
HA2 . HA2 . . H . . N 0 . . . . no no . . . . -3.444 . 9.272 . -9.817 . -4.502 1.599 -0.841 19 . 6508 NP1
HB1 . HB1 . . H . . N 0 . . . . no no . . . . -5.615 . 11.512 . -10.254 . -3.399 -0.615 -1.016 20 . 6508 NP1
HB2 . HB2 . . H . . N 0 . . . . no no . . . . -5.574 . 10.458 . -8.938 . -3.403 -0.757 0.759 21 . 6508 NP1
HG1 . HG1 . . H . . N 0 . . . . no no . . . . -6.246 . 8.456 . -10.304 . -2.013 1.290 0.925 22 . 6508 NP1
HG2 . HG2 . . H . . N 0 . . . . no no . . . . -5.617 . 9.055 . -11.726 . -2.009 1.431 -0.849 23 . 6508 NP1
HNE . HNE . . H . . N 0 . . . . no no . . . . -7.987 . 9.508 . -11.712 . -1.070 -1.141 -0.160 24 . 6508 NP1
HE1 . HE1 . . H . . N 0 . . . . no no . . . . -7.135 . 12.418 . -9.845 . -0.222 2.365 -0.097 25 . 6508 NP1
HR1 . HR1 . . H . . N 0 . . . . no no . . . . -8.623 . 13.226 . -7.985 . 2.079 3.234 -0.023 26 . 6508 NP1
HR2 . HR2 . . H . . N 0 . . . . no no . . . . -11.016 . 9.602 . -8.312 . 3.592 -0.752 0.092 27 . 6508 NP1
HM1 . HM1 . . H . . N 0 . . . . no no . . . . -11.195 . 12.962 . -7.218 . 4.682 1.975 1.124 28 . 6508 NP1
HM2 . HM2 . . H . . N 0 . . . . no no . . . . -11.672 . 11.331 . -6.599 . 5.056 1.118 -0.391 29 . 6508 NP1
HM3 . HM3 . . H . . N 0 . . . . no no . . . . -10.182 . 12.195 . -6.048 . 4.425 2.781 -0.442 30 . 6508 NP1
stop_
loop_
_Chem_comp_bond.ID
_Chem_comp_bond.Type
_Chem_comp_bond.Value_order
_Chem_comp_bond.Atom_ID_1
_Chem_comp_bond.Atom_ID_2
_Chem_comp_bond.Aromatic_flag
_Chem_comp_bond.Stereo_config
_Chem_comp_bond.Ordinal
_Chem_comp_bond.Details
_Chem_comp_bond.Entry_ID
_Chem_comp_bond.Comp_ID
1 . SING NZ CA no N 1 . 6508 NP1
2 . SING NZ HNZ1 no N 2 . 6508 NP1
3 . SING NZ HNZ2 no N 3 . 6508 NP1
4 . SING CA CB no N 4 . 6508 NP1
5 . SING CA HA1 no N 5 . 6508 NP1
6 . SING CA HA2 no N 6 . 6508 NP1
7 . SING CB CG no N 7 . 6508 NP1
8 . SING CB HB1 no N 8 . 6508 NP1
9 . SING CB HB2 no N 9 . 6508 NP1
10 . SING CG NE no N 10 . 6508 NP1
11 . SING CG HG1 no N 11 . 6508 NP1
12 . SING CG HG2 no N 12 . 6508 NP1
13 . SING NE CD no N 13 . 6508 NP1
14 . SING NE HNE no N 14 . 6508 NP1
15 . DOUB CD CE1 yes N 15 . 6508 NP1
16 . SING CD CE2 yes N 16 . 6508 NP1
17 . SING CE1 CR1 yes N 17 . 6508 NP1
18 . SING CE1 HE1 no N 18 . 6508 NP1
19 . SING CE2 NO2 no N 19 . 6508 NP1
20 . DOUB CE2 CR2 yes N 20 . 6508 NP1
21 . DOUB NO2 OC1 no N 21 . 6508 NP1
22 . SING NO2 OC2 no N 22 . 6508 NP1
23 . DOUB CR1 CZ yes N 23 . 6508 NP1
24 . SING CR1 HR1 no N 24 . 6508 NP1
25 . SING CR2 CZ yes N 25 . 6508 NP1
26 . SING CR2 HR2 no N 26 . 6508 NP1
27 . SING CZ CM no N 27 . 6508 NP1
28 . SING CM HM1 no N 28 . 6508 NP1
29 . SING CM HM2 no N 29 . 6508 NP1
30 . SING CM HM3 no N 30 . 6508 NP1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 6508
_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 'Histone acetylatransferase PCAF (E.C.2.3.1.48)' . . . 1 $PCAF . . 0.5 . . mM . . . . 6508 1
2 'phosphate buffer' . . . . . . . 100 . . mM . . . . 6508 1
3 DTT . . . . . . . 5 . . mM . . . . 6508 1
4 D2O . . . . . . . 10 . . % . . . . 6508 1
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 6508
_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 6.5 . pH 6508 1
temperature 303 . K 6508 1
stop_
save_
############################
# Computer software used #
############################
save_X-PLOR
_Software.Sf_category software
_Software.Sf_framecode X-PLOR
_Software.Entry_ID 6508
_Software.ID 1
_Software.Name X-PLOR
_Software.Version 3.851
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 6508 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer
_NMR_spectrometer.Entry_ID 6508
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DRX
_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 6508
_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 Bruker DRX . 600 . . . 6508 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 6508
_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 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6508 1
2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6508 1
3 '3D 13C SEPARATED FILTERED NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6508 1
stop_
save_
save_NMR_spec_expt__0_1
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1
_NMR_spec_expt.Entry_ID 6508
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name '3D 15N-separated NOESY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_2
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2
_NMR_spec_expt.Entry_ID 6508
_NMR_spec_expt.ID 2
_NMR_spec_expt.Name '3D 13C-separated NOESY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_3
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3
_NMR_spec_expt.Entry_ID 6508
_NMR_spec_expt.ID 3
_NMR_spec_expt.Name '3D 13C SEPARATED FILTERED NOESY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_ref_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_ref_1
_Chem_shift_reference.Entry_ID 6508
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.25144953 . . . . . . . . . 6508 1
H 1 H2O protons . . . . ppm 4.79 internal direct 1.0 . . . . . . . . . 6508 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.10132911 . . . . . . . . . 6508 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 6508
_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_ref_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_1 . 6508 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 5 5 SER HA H 1 4.451 . . . . . . . . . . . 6508 1
2 . 1 1 5 5 SER HB2 H 1 3.896 . . . . . . . . . . . 6508 1
3 . 1 1 5 5 SER CA C 13 58.274 . . . . . . . . . . . 6508 1
4 . 1 1 5 5 SER CB C 13 63.709 . . . . . . . . . . . 6508 1
5 . 1 1 6 6 LYS H H 1 8.375 . . . . . . . . . . . 6508 1
6 . 1 1 6 6 LYS HA H 1 4.354 . . . . . . . . . . . 6508 1
7 . 1 1 6 6 LYS HB2 H 1 1.901 . . . . . . . . . . . 6508 1
8 . 1 1 6 6 LYS HB3 H 1 1.757 . . . . . . . . . . . 6508 1
9 . 1 1 6 6 LYS HG2 H 1 1.447 . . . . . . . . . . . 6508 1
10 . 1 1 6 6 LYS HG3 H 1 1.432 . . . . . . . . . . . 6508 1
11 . 1 1 6 6 LYS HD2 H 1 1.680 . . . . . . . . . . . 6508 1
12 . 1 1 6 6 LYS HE2 H 1 3.008 . . . . . . . . . . . 6508 1
13 . 1 1 6 6 LYS CA C 13 55.787 . . . . . . . . . . . 6508 1
14 . 1 1 6 6 LYS CB C 13 32.889 . . . . . . . . . . . 6508 1
15 . 1 1 6 6 LYS CG C 13 24.718 . . . . . . . . . . . 6508 1
16 . 1 1 6 6 LYS CD C 13 28.968 . . . . . . . . . . . 6508 1
17 . 1 1 6 6 LYS CE C 13 41.812 . . . . . . . . . . . 6508 1
18 . 1 1 6 6 LYS N N 15 123.159 . . . . . . . . . . . 6508 1
19 . 1 1 7 7 GLU H H 1 8.329 . . . . . . . . . . . 6508 1
20 . 1 1 7 7 GLU HA H 1 4.570 . . . . . . . . . . . 6508 1
21 . 1 1 7 7 GLU HB2 H 1 2.062 . . . . . . . . . . . 6508 1
22 . 1 1 7 7 GLU HB3 H 1 1.920 . . . . . . . . . . . 6508 1
23 . 1 1 7 7 GLU HG2 H 1 2.303 . . . . . . . . . . . 6508 1
24 . 1 1 7 7 GLU CA C 13 54.337 . . . . . . . . . . . 6508 1
25 . 1 1 7 7 GLU CB C 13 29.653 . . . . . . . . . . . 6508 1
26 . 1 1 7 7 GLU CG C 13 35.919 . . . . . . . . . . . 6508 1
27 . 1 1 7 7 GLU N N 15 123.005 . . . . . . . . . . . 6508 1
28 . 1 1 8 8 PRO HA H 1 4.449 . . . . . . . . . . . 6508 1
29 . 1 1 8 8 PRO HB2 H 1 2.279 . . . . . . . . . . . 6508 1
30 . 1 1 8 8 PRO HB3 H 1 1.895 . . . . . . . . . . . 6508 1
31 . 1 1 8 8 PRO HG2 H 1 2.040 . . . . . . . . . . . 6508 1
32 . 1 1 8 8 PRO HD2 H 1 3.857 . . . . . . . . . . . 6508 1
33 . 1 1 8 8 PRO HD3 H 1 3.713 . . . . . . . . . . . 6508 1
34 . 1 1 8 8 PRO CA C 13 63.004 . . . . . . . . . . . 6508 1
35 . 1 1 8 8 PRO CB C 13 32.143 . . . . . . . . . . . 6508 1
36 . 1 1 8 8 PRO CG C 13 27.414 . . . . . . . . . . . 6508 1
37 . 1 1 8 8 PRO CD C 13 50.560 . . . . . . . . . . . 6508 1
38 . 1 1 9 9 ARG H H 1 8.463 . . . . . . . . . . . 6508 1
39 . 1 1 9 9 ARG HA H 1 4.349 . . . . . . . . . . . 6508 1
40 . 1 1 9 9 ARG HB2 H 1 1.872 . . . . . . . . . . . 6508 1
41 . 1 1 9 9 ARG HB3 H 1 1.791 . . . . . . . . . . . 6508 1
42 . 1 1 9 9 ARG HG2 H 1 1.683 . . . . . . . . . . . 6508 1
43 . 1 1 9 9 ARG HD2 H 1 3.201 . . . . . . . . . . . 6508 1
44 . 1 1 9 9 ARG CA C 13 55.811 . . . . . . . . . . . 6508 1
45 . 1 1 9 9 ARG CB C 13 30.898 . . . . . . . . . . . 6508 1
46 . 1 1 9 9 ARG CG C 13 27.211 . . . . . . . . . . . 6508 1
47 . 1 1 9 9 ARG CD C 13 43.273 . . . . . . . . . . . 6508 1
48 . 1 1 9 9 ARG N N 15 120.689 . . . . . . . . . . . 6508 1
49 . 1 1 10 10 ASP H H 1 8.263 . . . . . . . . . . . 6508 1
50 . 1 1 10 10 ASP HA H 1 4.899 . . . . . . . . . . . 6508 1
51 . 1 1 10 10 ASP HB2 H 1 2.794 . . . . . . . . . . . 6508 1
52 . 1 1 10 10 ASP HB3 H 1 2.724 . . . . . . . . . . . 6508 1
53 . 1 1 10 10 ASP CA C 13 52.302 . . . . . . . . . . . 6508 1
54 . 1 1 10 10 ASP CB C 13 41.351 . . . . . . . . . . . 6508 1
55 . 1 1 10 10 ASP N N 15 122.039 . . . . . . . . . . . 6508 1
56 . 1 1 11 11 PRO HA H 1 4.361 . . . . . . . . . . . 6508 1
57 . 1 1 11 11 PRO HB2 H 1 2.341 . . . . . . . . . . . 6508 1
58 . 1 1 11 11 PRO HB3 H 1 2.084 . . . . . . . . . . . 6508 1
59 . 1 1 11 11 PRO HG2 H 1 2.098 . . . . . . . . . . . 6508 1
60 . 1 1 11 11 PRO HD2 H 1 3.897 . . . . . . . . . . . 6508 1
61 . 1 1 11 11 PRO CA C 13 64.747 . . . . . . . . . . . 6508 1
62 . 1 1 11 11 PRO CB C 13 32.391 . . . . . . . . . . . 6508 1
63 . 1 1 11 11 PRO CG C 13 27.470 . . . . . . . . . . . 6508 1
64 . 1 1 11 11 PRO CD C 13 50.809 . . . . . . . . . . . 6508 1
65 . 1 1 12 12 ASP H H 1 8.411 . . . . . . . . . . . 6508 1
66 . 1 1 12 12 ASP HA H 1 4.712 . . . . . . . . . . . 6508 1
67 . 1 1 12 12 ASP HB2 H 1 2.844 . . . . . . . . . . . 6508 1
68 . 1 1 12 12 ASP HB3 H 1 2.775 . . . . . . . . . . . 6508 1
69 . 1 1 12 12 ASP CA C 13 55.787 . . . . . . . . . . . 6508 1
70 . 1 1 12 12 ASP CB C 13 40.853 . . . . . . . . . . . 6508 1
71 . 1 1 12 12 ASP N N 15 119.763 . . . . . . . . . . . 6508 1
72 . 1 1 13 13 GLN H H 1 8.196 . . . . . . . . . . . 6508 1
73 . 1 1 13 13 GLN HA H 1 4.215 . . . . . . . . . . . 6508 1
74 . 1 1 13 13 GLN HB2 H 1 2.184 . . . . . . . . . . . 6508 1
75 . 1 1 13 13 GLN HG2 H 1 2.528 . . . . . . . . . . . 6508 1
76 . 1 1 13 13 GLN HG3 H 1 2.412 . . . . . . . . . . . 6508 1
77 . 1 1 13 13 GLN CA C 13 58.276 . . . . . . . . . . . 6508 1
78 . 1 1 13 13 GLN CB C 13 28.906 . . . . . . . . . . . 6508 1
79 . 1 1 13 13 GLN CG C 13 33.852 . . . . . . . . . . . 6508 1
80 . 1 1 13 13 GLN N N 15 121.461 . . . . . . . . . . . 6508 1
81 . 1 1 14 14 LEU H H 1 8.197 . . . . . . . . . . . 6508 1
82 . 1 1 14 14 LEU HA H 1 4.081 . . . . . . . . . . . 6508 1
83 . 1 1 14 14 LEU HB2 H 1 1.884 . . . . . . . . . . . 6508 1
84 . 1 1 14 14 LEU HB3 H 1 1.585 . . . . . . . . . . . 6508 1
85 . 1 1 14 14 LEU HG H 1 1.482 . . . . . . . . . . . 6508 1
86 . 1 1 14 14 LEU HD11 H 1 0.842 . . . . . . . . . . . 6508 1
87 . 1 1 14 14 LEU HD12 H 1 0.842 . . . . . . . . . . . 6508 1
88 . 1 1 14 14 LEU HD13 H 1 0.842 . . . . . . . . . . . 6508 1
89 . 1 1 14 14 LEU HD21 H 1 0.812 . . . . . . . . . . . 6508 1
90 . 1 1 14 14 LEU HD22 H 1 0.812 . . . . . . . . . . . 6508 1
91 . 1 1 14 14 LEU HD23 H 1 0.812 . . . . . . . . . . . 6508 1
92 . 1 1 14 14 LEU CA C 13 58.275 . . . . . . . . . . . 6508 1
93 . 1 1 14 14 LEU CB C 13 41.102 . . . . . . . . . . . 6508 1
94 . 1 1 14 14 LEU CG C 13 26.916 . . . . . . . . . . . 6508 1
95 . 1 1 14 14 LEU CD1 C 13 25.672 . . . . . . . . . . . 6508 1
96 . 1 1 14 14 LEU CD2 C 13 23.182 . . . . . . . . . . . 6508 1
97 . 1 1 14 14 LEU N N 15 121.461 . . . . . . . . . . . 6508 1
98 . 1 1 15 15 TYR H H 1 7.996 . . . . . . . . . . . 6508 1
99 . 1 1 15 15 TYR HA H 1 4.041 . . . . . . . . . . . 6508 1
100 . 1 1 15 15 TYR HB2 H 1 3.346 . . . . . . . . . . . 6508 1
101 . 1 1 15 15 TYR HB3 H 1 3.079 . . . . . . . . . . . 6508 1
102 . 1 1 15 15 TYR HD1 H 1 7.075 . . . . . . . . . . . 6508 1
103 . 1 1 15 15 TYR HE1 H 1 6.908 . . . . . . . . . . . 6508 1
104 . 1 1 15 15 TYR CA C 13 62.071 . . . . . . . . . . . 6508 1
105 . 1 1 15 15 TYR CB C 13 38.561 . . . . . . . . . . . 6508 1
106 . 1 1 15 15 TYR CD1 C 13 132.883 . . . . . . . . . . . 6508 1
107 . 1 1 15 15 TYR CE1 C 13 118.389 . . . . . . . . . . . 6508 1
108 . 1 1 15 15 TYR N N 15 118.981 . . . . . . . . . . . 6508 1
109 . 1 1 16 16 SER H H 1 8.207 . . . . . . . . . . . 6508 1
110 . 1 1 16 16 SER HA H 1 4.202 . . . . . . . . . . . 6508 1
111 . 1 1 16 16 SER HB2 H 1 4.057 . . . . . . . . . . . 6508 1
112 . 1 1 16 16 SER HB3 H 1 3.943 . . . . . . . . . . . 6508 1
113 . 1 1 16 16 SER CA C 13 58.027 . . . . . . . . . . . 6508 1
114 . 1 1 16 16 SER CB C 13 62.009 . . . . . . . . . . . 6508 1
115 . 1 1 16 16 SER N N 15 112.198 . . . . . . . . . . . 6508 1
116 . 1 1 17 17 THR H H 1 8.032 . . . . . . . . . . . 6508 1
117 . 1 1 17 17 THR HA H 1 3.959 . . . . . . . . . . . 6508 1
118 . 1 1 17 17 THR HB H 1 4.283 . . . . . . . . . . . 6508 1
119 . 1 1 17 17 THR HG21 H 1 1.170 . . . . . . . . . . . 6508 1
120 . 1 1 17 17 THR HG22 H 1 1.170 . . . . . . . . . . . 6508 1
121 . 1 1 17 17 THR HG23 H 1 1.170 . . . . . . . . . . . 6508 1
122 . 1 1 17 17 THR CA C 13 66.738 . . . . . . . . . . . 6508 1
123 . 1 1 17 17 THR CB C 13 68.481 . . . . . . . . . . . 6508 1
124 . 1 1 17 17 THR CG2 C 13 21.440 . . . . . . . . . . . 6508 1
125 . 1 1 17 17 THR N N 15 120.371 . . . . . . . . . . . 6508 1
126 . 1 1 18 18 LEU H H 1 8.504 . . . . . . . . . . . 6508 1
127 . 1 1 18 18 LEU HA H 1 3.295 . . . . . . . . . . . 6508 1
128 . 1 1 18 18 LEU HB2 H 1 1.552 . . . . . . . . . . . 6508 1
129 . 1 1 18 18 LEU HB3 H 1 0.351 . . . . . . . . . . . 6508 1
130 . 1 1 18 18 LEU HG H 1 1.698 . . . . . . . . . . . 6508 1
131 . 1 1 18 18 LEU HD11 H 1 0.512 . . . . . . . . . . . 6508 1
132 . 1 1 18 18 LEU HD12 H 1 0.512 . . . . . . . . . . . 6508 1
133 . 1 1 18 18 LEU HD13 H 1 0.512 . . . . . . . . . . . 6508 1
134 . 1 1 18 18 LEU HD21 H 1 -0.163 . . . . . . . . . . . 6508 1
135 . 1 1 18 18 LEU HD22 H 1 -0.163 . . . . . . . . . . . 6508 1
136 . 1 1 18 18 LEU HD23 H 1 -0.163 . . . . . . . . . . . 6508 1
137 . 1 1 18 18 LEU CA C 13 57.778 . . . . . . . . . . . 6508 1
138 . 1 1 18 18 LEU CB C 13 39.609 . . . . . . . . . . . 6508 1
139 . 1 1 18 18 LEU CG C 13 24.675 . . . . . . . . . . . 6508 1
140 . 1 1 18 18 LEU CD1 C 13 25.423 . . . . . . . . . . . 6508 1
141 . 1 1 18 18 LEU CD2 C 13 19.983 . . . . . . . . . . . 6508 1
142 . 1 1 18 18 LEU N N 15 120.689 . . . . . . . . . . . 6508 1
143 . 1 1 19 19 LYS H H 1 8.572 . . . . . . . . . . . 6508 1
144 . 1 1 19 19 LYS HA H 1 3.715 . . . . . . . . . . . 6508 1
145 . 1 1 19 19 LYS HB2 H 1 1.729 . . . . . . . . . . . 6508 1
146 . 1 1 19 19 LYS HB3 H 1 1.398 . . . . . . . . . . . 6508 1
147 . 1 1 19 19 LYS HG2 H 1 1.283 . . . . . . . . . . . 6508 1
148 . 1 1 19 19 LYS HD2 H 1 1.648 . . . . . . . . . . . 6508 1
149 . 1 1 19 19 LYS HE2 H 1 2.958 . . . . . . . . . . . 6508 1
150 . 1 1 19 19 LYS CA C 13 59.898 . . . . . . . . . . . 6508 1
151 . 1 1 19 19 LYS CB C 13 32.391 . . . . . . . . . . . 6508 1
152 . 1 1 19 19 LYS CG C 13 24.676 . . . . . . . . . . . 6508 1
153 . 1 1 19 19 LYS CD C 13 29.654 . . . . . . . . . . . 6508 1
154 . 1 1 19 19 LYS CE C 13 41.850 . . . . . . . . . . . 6508 1
155 . 1 1 19 19 LYS N N 15 118.682 . . . . . . . . . . . 6508 1
156 . 1 1 20 20 SER H H 1 7.550 . . . . . . . . . . . 6508 1
157 . 1 1 20 20 SER HA H 1 4.318 . . . . . . . . . . . 6508 1
158 . 1 1 20 20 SER HB2 H 1 4.084 . . . . . . . . . . . 6508 1
159 . 1 1 20 20 SER CA C 13 61.263 . . . . . . . . . . . 6508 1
160 . 1 1 20 20 SER CB C 13 62.759 . . . . . . . . . . . 6508 1
161 . 1 1 20 20 SER N N 15 113.278 . . . . . . . . . . . 6508 1
162 . 1 1 21 21 ILE H H 1 7.950 . . . . . . . . . . . 6508 1
163 . 1 1 21 21 ILE HA H 1 3.790 . . . . . . . . . . . 6508 1
164 . 1 1 21 21 ILE HB H 1 1.937 . . . . . . . . . . . 6508 1
165 . 1 1 21 21 ILE HG12 H 1 1.765 . . . . . . . . . . . 6508 1
166 . 1 1 21 21 ILE HG13 H 1 1.066 . . . . . . . . . . . 6508 1
167 . 1 1 21 21 ILE HG21 H 1 1.015 . . . . . . . . . . . 6508 1
168 . 1 1 21 21 ILE HG22 H 1 1.015 . . . . . . . . . . . 6508 1
169 . 1 1 21 21 ILE HG23 H 1 1.015 . . . . . . . . . . . 6508 1
170 . 1 1 21 21 ILE HD11 H 1 0.645 . . . . . . . . . . . 6508 1
171 . 1 1 21 21 ILE HD12 H 1 0.645 . . . . . . . . . . . 6508 1
172 . 1 1 21 21 ILE HD13 H 1 0.645 . . . . . . . . . . . 6508 1
173 . 1 1 21 21 ILE CA C 13 65.244 . . . . . . . . . . . 6508 1
174 . 1 1 21 21 ILE CB C 13 37.547 . . . . . . . . . . . 6508 1
175 . 1 1 21 21 ILE CG1 C 13 28.409 . . . . . . . . . . . 6508 1
176 . 1 1 21 21 ILE CG2 C 13 17.299 . . . . . . . . . . . 6508 1
177 . 1 1 21 21 ILE CD1 C 13 13.476 . . . . . . . . . . . 6508 1
178 . 1 1 21 21 ILE N N 15 120.689 . . . . . . . . . . . 6508 1
179 . 1 1 22 22 LEU H H 1 8.834 . . . . . . . . . . . 6508 1
180 . 1 1 22 22 LEU HA H 1 4.150 . . . . . . . . . . . 6508 1
181 . 1 1 22 22 LEU HB2 H 1 2.134 . . . . . . . . . . . 6508 1
182 . 1 1 22 22 LEU HB3 H 1 1.725 . . . . . . . . . . . 6508 1
183 . 1 1 22 22 LEU HG H 1 1.793 . . . . . . . . . . . 6508 1
184 . 1 1 22 22 LEU HD11 H 1 1.108 . . . . . . . . . . . 6508 1
185 . 1 1 22 22 LEU HD12 H 1 1.108 . . . . . . . . . . . 6508 1
186 . 1 1 22 22 LEU HD13 H 1 1.108 . . . . . . . . . . . 6508 1
187 . 1 1 22 22 LEU HD21 H 1 1.050 . . . . . . . . . . . 6508 1
188 . 1 1 22 22 LEU HD22 H 1 1.050 . . . . . . . . . . . 6508 1
189 . 1 1 22 22 LEU HD23 H 1 1.050 . . . . . . . . . . . 6508 1
190 . 1 1 22 22 LEU CA C 13 58.320 . . . . . . . . . . . 6508 1
191 . 1 1 22 22 LEU CB C 13 41.674 . . . . . . . . . . . 6508 1
192 . 1 1 22 22 LEU CG C 13 27.414 . . . . . . . . . . . 6508 1
193 . 1 1 22 22 LEU CD1 C 13 26.418 . . . . . . . . . . . 6508 1
194 . 1 1 22 22 LEU CD2 C 13 23.776 . . . . . . . . . . . 6508 1
195 . 1 1 22 22 LEU N N 15 120.072 . . . . . . . . . . . 6508 1
196 . 1 1 23 23 GLN H H 1 8.535 . . . . . . . . . . . 6508 1
197 . 1 1 23 23 GLN HA H 1 4.064 . . . . . . . . . . . 6508 1
198 . 1 1 23 23 GLN HB2 H 1 2.367 . . . . . . . . . . . 6508 1
199 . 1 1 23 23 GLN HB3 H 1 2.270 . . . . . . . . . . . 6508 1
200 . 1 1 23 23 GLN HG2 H 1 2.568 . . . . . . . . . . . 6508 1
201 . 1 1 23 23 GLN HG3 H 1 2.487 . . . . . . . . . . . 6508 1
202 . 1 1 23 23 GLN CA C 13 59.520 . . . . . . . . . . . 6508 1
203 . 1 1 23 23 GLN CB C 13 28.160 . . . . . . . . . . . 6508 1
204 . 1 1 23 23 GLN CG C 13 33.884 . . . . . . . . . . . 6508 1
205 . 1 1 23 23 GLN N N 15 117.293 . . . . . . . . . . . 6508 1
206 . 1 1 24 24 GLN H H 1 8.028 . . . . . . . . . . . 6508 1
207 . 1 1 24 24 GLN HA H 1 4.212 . . . . . . . . . . . 6508 1
208 . 1 1 24 24 GLN HB2 H 1 2.510 . . . . . . . . . . . 6508 1
209 . 1 1 24 24 GLN HB3 H 1 2.400 . . . . . . . . . . . 6508 1
210 . 1 1 24 24 GLN HG2 H 1 2.867 . . . . . . . . . . . 6508 1
211 . 1 1 24 24 GLN HG3 H 1 2.491 . . . . . . . . . . . 6508 1
212 . 1 1 24 24 GLN HE21 H 1 7.044 . . . . . . . . . . . 6508 1
213 . 1 1 24 24 GLN HE22 H 1 6.893 . . . . . . . . . . . 6508 1
214 . 1 1 24 24 GLN CA C 13 59.520 . . . . . . . . . . . 6508 1
215 . 1 1 24 24 GLN CB C 13 29.654 . . . . . . . . . . . 6508 1
216 . 1 1 24 24 GLN CG C 13 35.378 . . . . . . . . . . . 6508 1
217 . 1 1 24 24 GLN CD C 13 180.060 . . . . . . . . . . . 6508 1
218 . 1 1 24 24 GLN N N 15 118.836 . . . . . . . . . . . 6508 1
219 . 1 1 24 24 GLN NE2 N 15 110.317 . . . . . . . . . . . 6508 1
220 . 1 1 25 25 VAL H H 1 8.536 . . . . . . . . . . . 6508 1
221 . 1 1 25 25 VAL HA H 1 3.869 . . . . . . . . . . . 6508 1
222 . 1 1 25 25 VAL HB H 1 2.439 . . . . . . . . . . . 6508 1
223 . 1 1 25 25 VAL HG11 H 1 1.239 . . . . . . . . . . . 6508 1
224 . 1 1 25 25 VAL HG12 H 1 1.239 . . . . . . . . . . . 6508 1
225 . 1 1 25 25 VAL HG13 H 1 1.239 . . . . . . . . . . . 6508 1
226 . 1 1 25 25 VAL HG21 H 1 1.086 . . . . . . . . . . . 6508 1
227 . 1 1 25 25 VAL HG22 H 1 1.086 . . . . . . . . . . . 6508 1
228 . 1 1 25 25 VAL HG23 H 1 1.086 . . . . . . . . . . . 6508 1
229 . 1 1 25 25 VAL CA C 13 67.236 . . . . . . . . . . . 6508 1
230 . 1 1 25 25 VAL CB C 13 31.644 . . . . . . . . . . . 6508 1
231 . 1 1 25 25 VAL CG1 C 13 23.033 . . . . . . . . . . . 6508 1
232 . 1 1 25 25 VAL CG2 C 13 22.187 . . . . . . . . . . . 6508 1
233 . 1 1 25 25 VAL N N 15 119.763 . . . . . . . . . . . 6508 1
234 . 1 1 26 26 LYS H H 1 8.580 . . . . . . . . . . . 6508 1
235 . 1 1 26 26 LYS HA H 1 3.949 . . . . . . . . . . . 6508 1
236 . 1 1 26 26 LYS HB2 H 1 1.909 . . . . . . . . . . . 6508 1
237 . 1 1 26 26 LYS HG2 H 1 1.532 . . . . . . . . . . . 6508 1
238 . 1 1 26 26 LYS HD2 H 1 1.839 . . . . . . . . . . . 6508 1
239 . 1 1 26 26 LYS HE2 H 1 2.886 . . . . . . . . . . . 6508 1
240 . 1 1 26 26 LYS CA C 13 59.507 . . . . . . . . . . . 6508 1
241 . 1 1 26 26 LYS CB C 13 32.889 . . . . . . . . . . . 6508 1
242 . 1 1 26 26 LYS CG C 13 26.885 . . . . . . . . . . . 6508 1
243 . 1 1 26 26 LYS CD C 13 31.147 . . . . . . . . . . . 6508 1
244 . 1 1 26 26 LYS CE C 13 40.854 . . . . . . . . . . . 6508 1
245 . 1 1 26 26 LYS N N 15 114.668 . . . . . . . . . . . 6508 1
246 . 1 1 27 27 SER H H 1 7.568 . . . . . . . . . . . 6508 1
247 . 1 1 27 27 SER HA H 1 4.479 . . . . . . . . . . . 6508 1
248 . 1 1 27 27 SER HB2 H 1 4.043 . . . . . . . . . . . 6508 1
249 . 1 1 27 27 SER CA C 13 58.713 . . . . . . . . . . . 6508 1
250 . 1 1 27 27 SER CB C 13 63.955 . . . . . . . . . . . 6508 1
251 . 1 1 27 27 SER N N 15 110.654 . . . . . . . . . . . 6508 1
252 . 1 1 28 28 HIS H H 1 7.572 . . . . . . . . . . . 6508 1
253 . 1 1 28 28 HIS HA H 1 4.011 . . . . . . . . . . . 6508 1
254 . 1 1 28 28 HIS HB2 H 1 3.027 . . . . . . . . . . . 6508 1
255 . 1 1 28 28 HIS HB3 H 1 2.809 . . . . . . . . . . . 6508 1
256 . 1 1 28 28 HIS HD2 H 1 5.016 . . . . . . . . . . . 6508 1
257 . 1 1 28 28 HIS HE1 H 1 7.597 . . . . . . . . . . . 6508 1
258 . 1 1 28 28 HIS CA C 13 58.276 . . . . . . . . . . . 6508 1
259 . 1 1 28 28 HIS CB C 13 32.251 . . . . . . . . . . . 6508 1
260 . 1 1 28 28 HIS CD2 C 13 117.147 . . . . . . . . . . . 6508 1
261 . 1 1 28 28 HIS CE1 C 13 137.645 . . . . . . . . . . . 6508 1
262 . 1 1 28 28 HIS N N 15 125.630 . . . . . . . . . . . 6508 1
263 . 1 1 29 29 GLN H H 1 8.624 . . . . . . . . . . . 6508 1
264 . 1 1 29 29 GLN HA H 1 4.217 . . . . . . . . . . . 6508 1
265 . 1 1 29 29 GLN HB2 H 1 2.125 . . . . . . . . . . . 6508 1
266 . 1 1 29 29 GLN HG2 H 1 2.505 . . . . . . . . . . . 6508 1
267 . 1 1 29 29 GLN HG3 H 1 2.412 . . . . . . . . . . . 6508 1
268 . 1 1 29 29 GLN HE21 H 1 7.583 . . . . . . . . . . . 6508 1
269 . 1 1 29 29 GLN HE22 H 1 6.884 . . . . . . . . . . . 6508 1
270 . 1 1 29 29 GLN CA C 13 59.023 . . . . . . . . . . . 6508 1
271 . 1 1 29 29 GLN CB C 13 28.409 . . . . . . . . . . . 6508 1
272 . 1 1 29 29 GLN CG C 13 33.635 . . . . . . . . . . . 6508 1
273 . 1 1 29 29 GLN N N 15 129.026 . . . . . . . . . . . 6508 1
274 . 1 1 29 29 GLN NE2 N 15 112.217 . . . . . . . . . . . 6508 1
275 . 1 1 30 30 SER H H 1 0.079 . . . . . . . . . . . 6508 1
276 . 1 1 30 30 SER HA H 1 4.821 . . . . . . . . . . . 6508 1
277 . 1 1 30 30 SER HB2 H 1 4.338 . . . . . . . . . . . 6508 1
278 . 1 1 30 30 SER HB3 H 1 3.975 . . . . . . . . . . . 6508 1
279 . 1 1 30 30 SER CA C 13 60.018 . . . . . . . . . . . 6508 1
280 . 1 1 30 30 SER CB C 13 63.503 . . . . . . . . . . . 6508 1
281 . 1 1 30 30 SER N N 15 118.991 . . . . . . . . . . . 6508 1
282 . 1 1 31 31 ALA H H 1 7.934 . . . . . . . . . . . 6508 1
283 . 1 1 31 31 ALA HA H 1 4.428 . . . . . . . . . . . 6508 1
284 . 1 1 31 31 ALA HB1 H 1 1.764 . . . . . . . . . . . 6508 1
285 . 1 1 31 31 ALA HB2 H 1 1.764 . . . . . . . . . . . 6508 1
286 . 1 1 31 31 ALA HB3 H 1 1.764 . . . . . . . . . . . 6508 1
287 . 1 1 31 31 ALA CA C 13 53.233 . . . . . . . . . . . 6508 1
288 . 1 1 31 31 ALA CB C 13 20.014 . . . . . . . . . . . 6508 1
289 . 1 1 31 31 ALA N N 15 117.756 . . . . . . . . . . . 6508 1
290 . 1 1 32 32 TRP H H 1 7.087 . . . . . . . . . . . 6508 1
291 . 1 1 32 32 TRP HA H 1 4.438 . . . . . . . . . . . 6508 1
292 . 1 1 32 32 TRP HB2 H 1 3.656 . . . . . . . . . . . 6508 1
293 . 1 1 32 32 TRP HB3 H 1 3.419 . . . . . . . . . . . 6508 1
294 . 1 1 32 32 TRP HD1 H 1 7.875 . . . . . . . . . . . 6508 1
295 . 1 1 32 32 TRP HE1 H 1 10.414 . . . . . . . . . . . 6508 1
296 . 1 1 32 32 TRP HE3 H 1 7.382 . . . . . . . . . . . 6508 1
297 . 1 1 32 32 TRP HZ2 H 1 7.272 . . . . . . . . . . . 6508 1
298 . 1 1 32 32 TRP HZ3 H 1 7.185 . . . . . . . . . . . 6508 1
299 . 1 1 32 32 TRP HH2 H 1 7.127 . . . . . . . . . . . 6508 1
300 . 1 1 32 32 TRP CA C 13 60.516 . . . . . . . . . . . 6508 1
301 . 1 1 32 32 TRP CB C 13 27.912 . . . . . . . . . . . 6508 1
302 . 1 1 32 32 TRP CD1 C 13 127.292 . . . . . . . . . . . 6508 1
303 . 1 1 32 32 TRP CE3 C 13 121.081 . . . . . . . . . . . 6508 1
304 . 1 1 32 32 TRP CZ2 C 13 114.662 . . . . . . . . . . . 6508 1
305 . 1 1 32 32 TRP CZ3 C 13 121.288 . . . . . . . . . . . 6508 1
306 . 1 1 32 32 TRP CH2 C 13 124.808 . . . . . . . . . . . 6508 1
307 . 1 1 32 32 TRP N N 15 116.521 . . . . . . . . . . . 6508 1
308 . 1 1 33 33 PRO HA H 1 3.986 . . . . . . . . . . . 6508 1
309 . 1 1 33 33 PRO HB2 H 1 1.044 . . . . . . . . . . . 6508 1
310 . 1 1 33 33 PRO HB3 H 1 -0.094 . . . . . . . . . . . 6508 1
311 . 1 1 33 33 PRO HG2 H 1 0.285 . . . . . . . . . . . 6508 1
312 . 1 1 33 33 PRO HG3 H 1 -0.709 . . . . . . . . . . . 6508 1
313 . 1 1 33 33 PRO HD2 H 1 2.265 . . . . . . . . . . . 6508 1
314 . 1 1 33 33 PRO HD3 H 1 1.633 . . . . . . . . . . . 6508 1
315 . 1 1 33 33 PRO CA C 13 64.498 . . . . . . . . . . . 6508 1
316 . 1 1 33 33 PRO CB C 13 30.152 . . . . . . . . . . . 6508 1
317 . 1 1 33 33 PRO CG C 13 25.671 . . . . . . . . . . . 6508 1
318 . 1 1 33 33 PRO CD C 13 50.062 . . . . . . . . . . . 6508 1
319 . 1 1 34 34 PHE H H 1 7.584 . . . . . . . . . . . 6508 1
320 . 1 1 34 34 PHE HA H 1 5.214 . . . . . . . . . . . 6508 1
321 . 1 1 34 34 PHE HB2 H 1 3.582 . . . . . . . . . . . 6508 1
322 . 1 1 34 34 PHE HB3 H 1 2.640 . . . . . . . . . . . 6508 1
323 . 1 1 34 34 PHE HD1 H 1 7.243 . . . . . . . . . . . 6508 1
324 . 1 1 34 34 PHE HE1 H 1 7.194 . . . . . . . . . . . 6508 1
325 . 1 1 34 34 PHE HZ H 1 7.290 . . . . . . . . . . . 6508 1
326 . 1 1 34 34 PHE CA C 13 55.777 . . . . . . . . . . . 6508 1
327 . 1 1 34 34 PHE CB C 13 39.111 . . . . . . . . . . . 6508 1
328 . 1 1 34 34 PHE CD1 C 13 132.025 . . . . . . . . . . . 6508 1
329 . 1 1 34 34 PHE N N 15 112.352 . . . . . . . . . . . 6508 1
330 . 1 1 35 35 MET H H 1 7.306 . . . . . . . . . . . 6508 1
331 . 1 1 35 35 MET HA H 1 4.371 . . . . . . . . . . . 6508 1
332 . 1 1 35 35 MET HB2 H 1 2.288 . . . . . . . . . . . 6508 1
333 . 1 1 35 35 MET HB3 H 1 2.231 . . . . . . . . . . . 6508 1
334 . 1 1 35 35 MET HG2 H 1 2.902 . . . . . . . . . . . 6508 1
335 . 1 1 35 35 MET HE1 H 1 2.213 . . . . . . . . . . . 6508 1
336 . 1 1 35 35 MET HE2 H 1 2.213 . . . . . . . . . . . 6508 1
337 . 1 1 35 35 MET HE3 H 1 2.213 . . . . . . . . . . . 6508 1
338 . 1 1 35 35 MET CA C 13 57.031 . . . . . . . . . . . 6508 1
339 . 1 1 35 35 MET CB C 13 32.143 . . . . . . . . . . . 6508 1
340 . 1 1 35 35 MET CG C 13 33.138 . . . . . . . . . . . 6508 1
341 . 1 1 35 35 MET CE C 13 16.711 . . . . . . . . . . . 6508 1
342 . 1 1 35 35 MET N N 15 117.910 . . . . . . . . . . . 6508 1
343 . 1 1 36 36 GLU H H 1 7.635 . . . . . . . . . . . 6508 1
344 . 1 1 36 36 GLU HA H 1 4.809 . . . . . . . . . . . 6508 1
345 . 1 1 36 36 GLU HB2 H 1 2.142 . . . . . . . . . . . 6508 1
346 . 1 1 36 36 GLU HB3 H 1 1.771 . . . . . . . . . . . 6508 1
347 . 1 1 36 36 GLU HG2 H 1 2.216 . . . . . . . . . . . 6508 1
348 . 1 1 36 36 GLU CA C 13 53.298 . . . . . . . . . . . 6508 1
349 . 1 1 36 36 GLU CB C 13 31.396 . . . . . . . . . . . 6508 1
350 . 1 1 36 36 GLU CG C 13 35.876 . . . . . . . . . . . 6508 1
351 . 1 1 36 36 GLU N N 15 113.278 . . . . . . . . . . . 6508 1
352 . 1 1 37 37 PRO HA H 1 4.253 . . . . . . . . . . . 6508 1
353 . 1 1 37 37 PRO HB2 H 1 2.338 . . . . . . . . . . . 6508 1
354 . 1 1 37 37 PRO HB3 H 1 1.631 . . . . . . . . . . . 6508 1
355 . 1 1 37 37 PRO HG2 H 1 2.169 . . . . . . . . . . . 6508 1
356 . 1 1 37 37 PRO HG3 H 1 1.977 . . . . . . . . . . . 6508 1
357 . 1 1 37 37 PRO HD2 H 1 3.683 . . . . . . . . . . . 6508 1
358 . 1 1 37 37 PRO CA C 13 62.756 . . . . . . . . . . . 6508 1
359 . 1 1 37 37 PRO CB C 13 31.894 . . . . . . . . . . . 6508 1
360 . 1 1 37 37 PRO CG C 13 27.164 . . . . . . . . . . . 6508 1
361 . 1 1 37 37 PRO CD C 13 50.560 . . . . . . . . . . . 6508 1
362 . 1 1 38 38 VAL H H 1 8.335 . . . . . . . . . . . 6508 1
363 . 1 1 38 38 VAL HA H 1 3.257 . . . . . . . . . . . 6508 1
364 . 1 1 38 38 VAL HB H 1 0.852 . . . . . . . . . . . 6508 1
365 . 1 1 38 38 VAL HG11 H 1 0.151 . . . . . . . . . . . 6508 1
366 . 1 1 38 38 VAL HG12 H 1 0.151 . . . . . . . . . . . 6508 1
367 . 1 1 38 38 VAL HG13 H 1 0.151 . . . . . . . . . . . 6508 1
368 . 1 1 38 38 VAL HG21 H 1 -0.371 . . . . . . . . . . . 6508 1
369 . 1 1 38 38 VAL HG22 H 1 -0.371 . . . . . . . . . . . 6508 1
370 . 1 1 38 38 VAL HG23 H 1 -0.371 . . . . . . . . . . . 6508 1
371 . 1 1 38 38 VAL CA C 13 63.751 . . . . . . . . . . . 6508 1
372 . 1 1 38 38 VAL CB C 13 32.143 . . . . . . . . . . . 6508 1
373 . 1 1 38 38 VAL CG1 C 13 21.690 . . . . . . . . . . . 6508 1
374 . 1 1 38 38 VAL CG2 C 13 21.441 . . . . . . . . . . . 6508 1
375 . 1 1 38 38 VAL N N 15 125.475 . . . . . . . . . . . 6508 1
376 . 1 1 39 39 LYS H H 1 9.725 . . . . . . . . . . . 6508 1
377 . 1 1 39 39 LYS HA H 1 4.513 . . . . . . . . . . . 6508 1
378 . 1 1 39 39 LYS HB2 H 1 1.975 . . . . . . . . . . . 6508 1
379 . 1 1 39 39 LYS HB3 H 1 1.543 . . . . . . . . . . . 6508 1
380 . 1 1 39 39 LYS HG2 H 1 1.467 . . . . . . . . . . . 6508 1
381 . 1 1 39 39 LYS HG3 H 1 1.417 . . . . . . . . . . . 6508 1
382 . 1 1 39 39 LYS HD2 H 1 1.751 . . . . . . . . . . . 6508 1
383 . 1 1 39 39 LYS HD3 H 1 1.573 . . . . . . . . . . . 6508 1
384 . 1 1 39 39 LYS HE2 H 1 2.966 . . . . . . . . . . . 6508 1
385 . 1 1 39 39 LYS HE3 H 1 2.965 . . . . . . . . . . . 6508 1
386 . 1 1 39 39 LYS CA C 13 55.787 . . . . . . . . . . . 6508 1
387 . 1 1 39 39 LYS CB C 13 33.636 . . . . . . . . . . . 6508 1
388 . 1 1 39 39 LYS CG C 13 25.447 . . . . . . . . . . . 6508 1
389 . 1 1 39 39 LYS CD C 13 29.156 . . . . . . . . . . . 6508 1
390 . 1 1 39 39 LYS CE C 13 40.605 . . . . . . . . . . . 6508 1
391 . 1 1 39 39 LYS N N 15 110.808 . . . . . . . . . . . 6508 1
392 . 1 1 40 40 ARG H H 1 8.094 . . . . . . . . . . . 6508 1
393 . 1 1 40 40 ARG HA H 1 3.722 . . . . . . . . . . . 6508 1
394 . 1 1 40 40 ARG HB2 H 1 1.935 . . . . . . . . . . . 6508 1
395 . 1 1 40 40 ARG HB3 H 1 1.816 . . . . . . . . . . . 6508 1
396 . 1 1 40 40 ARG HG2 H 1 1.465 . . . . . . . . . . . 6508 1
397 . 1 1 40 40 ARG HG3 H 1 1.322 . . . . . . . . . . . 6508 1
398 . 1 1 40 40 ARG CB C 13 29.654 . . . . . . . . . . . 6508 1
399 . 1 1 40 40 ARG N N 15 120.844 . . . . . . . . . . . 6508 1
400 . 1 1 41 41 THR HA H 1 4.061 . . . . . . . . . . . 6508 1
401 . 1 1 41 41 THR HB H 1 4.316 . . . . . . . . . . . 6508 1
402 . 1 1 41 41 THR HG21 H 1 1.274 . . . . . . . . . . . 6508 1
403 . 1 1 41 41 THR HG22 H 1 1.274 . . . . . . . . . . . 6508 1
404 . 1 1 41 41 THR HG23 H 1 1.274 . . . . . . . . . . . 6508 1
405 . 1 1 41 41 THR CA C 13 63.004 . . . . . . . . . . . 6508 1
406 . 1 1 41 41 THR CB C 13 68.480 . . . . . . . . . . . 6508 1
407 . 1 1 41 41 THR CG2 C 13 22.436 . . . . . . . . . . . 6508 1
408 . 1 1 42 42 GLU H H 1 7.185 . . . . . . . . . . . 6508 1
409 . 1 1 42 42 GLU HA H 1 4.616 . . . . . . . . . . . 6508 1
410 . 1 1 42 42 GLU HB2 H 1 2.389 . . . . . . . . . . . 6508 1
411 . 1 1 42 42 GLU HB3 H 1 1.880 . . . . . . . . . . . 6508 1
412 . 1 1 42 42 GLU HG2 H 1 2.585 . . . . . . . . . . . 6508 1
413 . 1 1 42 42 GLU HG3 H 1 2.060 . . . . . . . . . . . 6508 1
414 . 1 1 42 42 GLU CA C 13 55.787 . . . . . . . . . . . 6508 1
415 . 1 1 42 42 GLU CB C 13 30.898 . . . . . . . . . . . 6508 1
416 . 1 1 42 42 GLU CG C 13 35.378 . . . . . . . . . . . 6508 1
417 . 1 1 42 42 GLU N N 15 118.528 . . . . . . . . . . . 6508 1
418 . 1 1 43 43 ALA H H 1 6.803 . . . . . . . . . . . 6508 1
419 . 1 1 43 43 ALA HA H 1 4.921 . . . . . . . . . . . 6508 1
420 . 1 1 43 43 ALA HB1 H 1 0.735 . . . . . . . . . . . 6508 1
421 . 1 1 43 43 ALA HB2 H 1 0.735 . . . . . . . . . . . 6508 1
422 . 1 1 43 43 ALA HB3 H 1 0.735 . . . . . . . . . . . 6508 1
423 . 1 1 43 43 ALA CA C 13 49.565 . . . . . . . . . . . 6508 1
424 . 1 1 43 43 ALA CB C 13 20.196 . . . . . . . . . . . 6508 1
425 . 1 1 43 43 ALA N N 15 121.461 . . . . . . . . . . . 6508 1
426 . 1 1 44 44 PRO HA H 1 4.525 . . . . . . . . . . . 6508 1
427 . 1 1 44 44 PRO HB2 H 1 2.392 . . . . . . . . . . . 6508 1
428 . 1 1 44 44 PRO HB3 H 1 2.061 . . . . . . . . . . . 6508 1
429 . 1 1 44 44 PRO HG2 H 1 2.228 . . . . . . . . . . . 6508 1
430 . 1 1 44 44 PRO HG3 H 1 2.074 . . . . . . . . . . . 6508 1
431 . 1 1 44 44 PRO HD2 H 1 3.765 . . . . . . . . . . . 6508 1
432 . 1 1 44 44 PRO HD3 H 1 3.598 . . . . . . . . . . . 6508 1
433 . 1 1 44 44 PRO CA C 13 64.249 . . . . . . . . . . . 6508 1
434 . 1 1 44 44 PRO CB C 13 31.645 . . . . . . . . . . . 6508 1
435 . 1 1 44 44 PRO CG C 13 27.663 . . . . . . . . . . . 6508 1
436 . 1 1 44 44 PRO CD C 13 50.311 . . . . . . . . . . . 6508 1
437 . 1 1 45 45 GLY HA2 H 1 3.881 . . . . . . . . . . . 6508 1
438 . 1 1 45 45 GLY CA C 13 43.343 . . . . . . . . . . . 6508 1
439 . 1 1 46 46 TYR H H 1 8.054 . . . . . . . . . . . 6508 1
440 . 1 1 46 46 TYR HA H 1 3.421 . . . . . . . . . . . 6508 1
441 . 1 1 46 46 TYR HB2 H 1 2.701 . . . . . . . . . . . 6508 1
442 . 1 1 46 46 TYR HB3 H 1 2.289 . . . . . . . . . . . 6508 1
443 . 1 1 46 46 TYR HD1 H 1 4.915 . . . . . . . . . . . 6508 1
444 . 1 1 46 46 TYR HE1 H 1 5.998 . . . . . . . . . . . 6508 1
445 . 1 1 46 46 TYR CA C 13 62.756 . . . . . . . . . . . 6508 1
446 . 1 1 46 46 TYR CB C 13 39.609 . . . . . . . . . . . 6508 1
447 . 1 1 46 46 TYR CD1 C 13 132.676 . . . . . . . . . . . 6508 1
448 . 1 1 46 46 TYR CE1 C 13 116.733 . . . . . . . . . . . 6508 1
449 . 1 1 46 46 TYR N N 15 122.696 . . . . . . . . . . . 6508 1
450 . 1 1 47 47 TYR H H 1 8.583 . . . . . . . . . . . 6508 1
451 . 1 1 47 47 TYR HA H 1 4.189 . . . . . . . . . . . 6508 1
452 . 1 1 47 47 TYR HB2 H 1 3.229 . . . . . . . . . . . 6508 1
453 . 1 1 47 47 TYR HB3 H 1 2.801 . . . . . . . . . . . 6508 1
454 . 1 1 47 47 TYR HD1 H 1 7.340 . . . . . . . . . . . 6508 1
455 . 1 1 47 47 TYR HE1 H 1 6.624 . . . . . . . . . . . 6508 1
456 . 1 1 47 47 TYR CA C 13 60.516 . . . . . . . . . . . 6508 1
457 . 1 1 47 47 TYR CB C 13 36.871 . . . . . . . . . . . 6508 1
458 . 1 1 47 47 TYR CD1 C 13 133.090 . . . . . . . . . . . 6508 1
459 . 1 1 47 47 TYR CE1 C 13 117.354 . . . . . . . . . . . 6508 1
460 . 1 1 47 47 TYR N N 15 112.661 . . . . . . . . . . . 6508 1
461 . 1 1 48 48 GLU H H 1 7.688 . . . . . . . . . . . 6508 1
462 . 1 1 48 48 GLU HA H 1 4.251 . . . . . . . . . . . 6508 1
463 . 1 1 48 48 GLU HB2 H 1 2.180 . . . . . . . . . . . 6508 1
464 . 1 1 48 48 GLU HB3 H 1 2.112 . . . . . . . . . . . 6508 1
465 . 1 1 48 48 GLU HG2 H 1 2.384 . . . . . . . . . . . 6508 1
466 . 1 1 48 48 GLU HG3 H 1 2.233 . . . . . . . . . . . 6508 1
467 . 1 1 48 48 GLU CA C 13 57.778 . . . . . . . . . . . 6508 1
468 . 1 1 48 48 GLU CB C 13 31.147 . . . . . . . . . . . 6508 1
469 . 1 1 48 48 GLU CG C 13 37.120 . . . . . . . . . . . 6508 1
470 . 1 1 48 48 GLU N N 15 118.064 . . . . . . . . . . . 6508 1
471 . 1 1 49 49 VAL H H 1 7.135 . . . . . . . . . . . 6508 1
472 . 1 1 49 49 VAL HA H 1 4.077 . . . . . . . . . . . 6508 1
473 . 1 1 49 49 VAL HB H 1 2.021 . . . . . . . . . . . 6508 1
474 . 1 1 49 49 VAL HG11 H 1 0.985 . . . . . . . . . . . 6508 1
475 . 1 1 49 49 VAL HG12 H 1 0.985 . . . . . . . . . . . 6508 1
476 . 1 1 49 49 VAL HG13 H 1 0.985 . . . . . . . . . . . 6508 1
477 . 1 1 49 49 VAL HG21 H 1 1.068 . . . . . . . . . . . 6508 1
478 . 1 1 49 49 VAL HG22 H 1 1.068 . . . . . . . . . . . 6508 1
479 . 1 1 49 49 VAL HG23 H 1 1.068 . . . . . . . . . . . 6508 1
480 . 1 1 49 49 VAL CA C 13 63.004 . . . . . . . . . . . 6508 1
481 . 1 1 49 49 VAL CB C 13 33.636 . . . . . . . . . . . 6508 1
482 . 1 1 49 49 VAL CG1 C 13 20.943 . . . . . . . . . . . 6508 1
483 . 1 1 49 49 VAL CG2 C 13 20.694 . . . . . . . . . . . 6508 1
484 . 1 1 49 49 VAL N N 15 115.594 . . . . . . . . . . . 6508 1
485 . 1 1 50 50 ILE H H 1 8.103 . . . . . . . . . . . 6508 1
486 . 1 1 50 50 ILE HA H 1 3.933 . . . . . . . . . . . 6508 1
487 . 1 1 50 50 ILE HB H 1 1.296 . . . . . . . . . . . 6508 1
488 . 1 1 50 50 ILE HG12 H 1 0.810 . . . . . . . . . . . 6508 1
489 . 1 1 50 50 ILE HG13 H 1 0.071 . . . . . . . . . . . 6508 1
490 . 1 1 50 50 ILE HG21 H 1 0.393 . . . . . . . . . . . 6508 1
491 . 1 1 50 50 ILE HG22 H 1 0.393 . . . . . . . . . . . 6508 1
492 . 1 1 50 50 ILE HG23 H 1 0.393 . . . . . . . . . . . 6508 1
493 . 1 1 50 50 ILE HD11 H 1 0.553 . . . . . . . . . . . 6508 1
494 . 1 1 50 50 ILE HD12 H 1 0.553 . . . . . . . . . . . 6508 1
495 . 1 1 50 50 ILE HD13 H 1 0.553 . . . . . . . . . . . 6508 1
496 . 1 1 50 50 ILE CA C 13 57.280 . . . . . . . . . . . 6508 1
497 . 1 1 50 50 ILE CB C 13 34.133 . . . . . . . . . . . 6508 1
498 . 1 1 50 50 ILE CG1 C 13 24.427 . . . . . . . . . . . 6508 1
499 . 1 1 50 50 ILE CG2 C 13 16.175 . . . . . . . . . . . 6508 1
500 . 1 1 50 50 ILE CD1 C 13 9.245 . . . . . . . . . . . 6508 1
501 . 1 1 50 50 ILE N N 15 122.542 . . . . . . . . . . . 6508 1
502 . 1 1 51 51 ARG H H 1 7.693 . . . . . . . . . . . 6508 1
503 . 1 1 51 51 ARG HA H 1 3.902 . . . . . . . . . . . 6508 1
504 . 1 1 51 51 ARG HB2 H 1 1.364 . . . . . . . . . . . 6508 1
505 . 1 1 51 51 ARG HB3 H 1 1.187 . . . . . . . . . . . 6508 1
506 . 1 1 51 51 ARG HG2 H 1 1.335 . . . . . . . . . . . 6508 1
507 . 1 1 51 51 ARG HG3 H 1 1.198 . . . . . . . . . . . 6508 1
508 . 1 1 51 51 ARG HD2 H 1 3.007 . . . . . . . . . . . 6508 1
509 . 1 1 51 51 ARG CA C 13 57.031 . . . . . . . . . . . 6508 1
510 . 1 1 51 51 ARG CB C 13 30.401 . . . . . . . . . . . 6508 1
511 . 1 1 51 51 ARG CG C 13 26.916 . . . . . . . . . . . 6508 1
512 . 1 1 51 51 ARG CD C 13 42.596 . . . . . . . . . . . 6508 1
513 . 1 1 51 51 ARG N N 15 125.321 . . . . . . . . . . . 6508 1
514 . 1 1 52 52 PHE H H 1 8.445 . . . . . . . . . . . 6508 1
515 . 1 1 52 52 PHE HA H 1 5.030 . . . . . . . . . . . 6508 1
516 . 1 1 52 52 PHE HB2 H 1 3.071 . . . . . . . . . . . 6508 1
517 . 1 1 52 52 PHE HB3 H 1 2.953 . . . . . . . . . . . 6508 1
518 . 1 1 52 52 PHE HD1 H 1 7.278 . . . . . . . . . . . 6508 1
519 . 1 1 52 52 PHE HE1 H 1 7.255 . . . . . . . . . . . 6508 1
520 . 1 1 52 52 PHE HZ H 1 7.327 . . . . . . . . . . . 6508 1
521 . 1 1 52 52 PHE CA C 13 54.294 . . . . . . . . . . . 6508 1
522 . 1 1 52 52 PHE CB C 13 38.499 . . . . . . . . . . . 6508 1
523 . 1 1 52 52 PHE CD1 C 13 132.262 . . . . . . . . . . . 6508 1
524 . 1 1 52 52 PHE CE1 C 13 131.640 . . . . . . . . . . . 6508 1
525 . 1 1 52 52 PHE CZ C 13 128.742 . . . . . . . . . . . 6508 1
526 . 1 1 52 52 PHE N N 15 116.829 . . . . . . . . . . . 6508 1
527 . 1 1 53 53 PRO HA H 1 4.092 . . . . . . . . . . . 6508 1
528 . 1 1 53 53 PRO HB2 H 1 2.249 . . . . . . . . . . . 6508 1
529 . 1 1 53 53 PRO HG2 H 1 2.222 . . . . . . . . . . . 6508 1
530 . 1 1 53 53 PRO HG3 H 1 1.926 . . . . . . . . . . . 6508 1
531 . 1 1 53 53 PRO HD2 H 1 3.665 . . . . . . . . . . . 6508 1
532 . 1 1 53 53 PRO HD3 H 1 3.397 . . . . . . . . . . . 6508 1
533 . 1 1 53 53 PRO CA C 13 63.005 . . . . . . . . . . . 6508 1
534 . 1 1 53 53 PRO CB C 13 32.392 . . . . . . . . . . . 6508 1
535 . 1 1 53 53 PRO CG C 13 27.663 . . . . . . . . . . . 6508 1
536 . 1 1 53 53 PRO CD C 13 50.311 . . . . . . . . . . . 6508 1
537 . 1 1 54 54 MET H H 1 8.313 . . . . . . . . . . . 6508 1
538 . 1 1 54 54 MET HA H 1 4.964 . . . . . . . . . . . 6508 1
539 . 1 1 54 54 MET HB2 H 1 2.019 . . . . . . . . . . . 6508 1
540 . 1 1 54 54 MET HB3 H 1 1.358 . . . . . . . . . . . 6508 1
541 . 1 1 54 54 MET HG2 H 1 2.740 . . . . . . . . . . . 6508 1
542 . 1 1 54 54 MET HG3 H 1 1.880 . . . . . . . . . . . 6508 1
543 . 1 1 54 54 MET HE1 H 1 1.983 . . . . . . . . . . . 6508 1
544 . 1 1 54 54 MET HE2 H 1 1.983 . . . . . . . . . . . 6508 1
545 . 1 1 54 54 MET HE3 H 1 1.983 . . . . . . . . . . . 6508 1
546 . 1 1 54 54 MET CA C 13 53.547 . . . . . . . . . . . 6508 1
547 . 1 1 54 54 MET CB C 13 31.147 . . . . . . . . . . . 6508 1
548 . 1 1 54 54 MET CG C 13 30.649 . . . . . . . . . . . 6508 1
549 . 1 1 54 54 MET CE C 13 14.027 . . . . . . . . . . . 6508 1
550 . 1 1 54 54 MET N N 15 118.836 . . . . . . . . . . . 6508 1
551 . 1 1 55 55 ASP H H 1 7.373 . . . . . . . . . . . 6508 1
552 . 1 1 55 55 ASP HA H 1 4.812 . . . . . . . . . . . 6508 1
553 . 1 1 55 55 ASP HB2 H 1 2.367 . . . . . . . . . . . 6508 1
554 . 1 1 55 55 ASP CA C 13 53.298 . . . . . . . . . . . 6508 1
555 . 1 1 55 55 ASP CB C 13 44.089 . . . . . . . . . . . 6508 1
556 . 1 1 55 55 ASP N N 15 118.836 . . . . . . . . . . . 6508 1
557 . 1 1 56 56 LEU H H 1 9.250 . . . . . . . . . . . 6508 1
558 . 1 1 56 56 LEU HA H 1 4.066 . . . . . . . . . . . 6508 1
559 . 1 1 56 56 LEU HB2 H 1 2.115 . . . . . . . . . . . 6508 1
560 . 1 1 56 56 LEU HB3 H 1 1.459 . . . . . . . . . . . 6508 1
561 . 1 1 56 56 LEU HG H 1 1.774 . . . . . . . . . . . 6508 1
562 . 1 1 56 56 LEU HD11 H 1 0.979 . . . . . . . . . . . 6508 1
563 . 1 1 56 56 LEU HD12 H 1 0.979 . . . . . . . . . . . 6508 1
564 . 1 1 56 56 LEU HD13 H 1 0.979 . . . . . . . . . . . 6508 1
565 . 1 1 56 56 LEU HD21 H 1 0.690 . . . . . . . . . . . 6508 1
566 . 1 1 56 56 LEU HD22 H 1 0.690 . . . . . . . . . . . 6508 1
567 . 1 1 56 56 LEU HD23 H 1 0.690 . . . . . . . . . . . 6508 1
568 . 1 1 56 56 LEU CA C 13 57.778 . . . . . . . . . . . 6508 1
569 . 1 1 56 56 LEU CB C 13 41.102 . . . . . . . . . . . 6508 1
570 . 1 1 56 56 LEU CG C 13 27.414 . . . . . . . . . . . 6508 1
571 . 1 1 56 56 LEU CD1 C 13 26.930 . . . . . . . . . . . 6508 1
572 . 1 1 56 56 LEU CD2 C 13 22.436 . . . . . . . . . . . 6508 1
573 . 1 1 56 56 LEU N N 15 116.366 . . . . . . . . . . . 6508 1
574 . 1 1 57 57 LYS H H 1 8.792 . . . . . . . . . . . 6508 1
575 . 1 1 57 57 LYS HA H 1 4.247 . . . . . . . . . . . 6508 1
576 . 1 1 57 57 LYS HB2 H 1 2.368 . . . . . . . . . . . 6508 1
577 . 1 1 57 57 LYS HB3 H 1 2.279 . . . . . . . . . . . 6508 1
578 . 1 1 57 57 LYS HG2 H 1 1.535 . . . . . . . . . . . 6508 1
579 . 1 1 57 57 LYS HG3 H 1 1.446 . . . . . . . . . . . 6508 1
580 . 1 1 57 57 LYS HD2 H 1 1.838 . . . . . . . . . . . 6508 1
581 . 1 1 57 57 LYS HD3 H 1 1.707 . . . . . . . . . . . 6508 1
582 . 1 1 57 57 LYS HE2 H 1 3.009 . . . . . . . . . . . 6508 1
583 . 1 1 57 57 LYS CA C 13 60.255 . . . . . . . . . . . 6508 1
584 . 1 1 57 57 LYS CB C 13 31.894 . . . . . . . . . . . 6508 1
585 . 1 1 57 57 LYS CG C 13 25.144 . . . . . . . . . . . 6508 1
586 . 1 1 57 57 LYS CD C 13 29.903 . . . . . . . . . . . 6508 1
587 . 1 1 57 57 LYS CE C 13 41.849 . . . . . . . . . . . 6508 1
588 . 1 1 57 57 LYS N N 15 128.254 . . . . . . . . . . . 6508 1
589 . 1 1 58 58 THR H H 1 9.394 . . . . . . . . . . . 6508 1
590 . 1 1 58 58 THR HA H 1 3.873 . . . . . . . . . . . 6508 1
591 . 1 1 58 58 THR HB H 1 4.108 . . . . . . . . . . . 6508 1
592 . 1 1 58 58 THR HG21 H 1 1.079 . . . . . . . . . . . 6508 1
593 . 1 1 58 58 THR HG22 H 1 1.079 . . . . . . . . . . . 6508 1
594 . 1 1 58 58 THR HG23 H 1 1.079 . . . . . . . . . . . 6508 1
595 . 1 1 58 58 THR CA C 13 66.738 . . . . . . . . . . . 6508 1
596 . 1 1 58 58 THR CB C 13 67.461 . . . . . . . . . . . 6508 1
597 . 1 1 58 58 THR CG2 C 13 21.937 . . . . . . . . . . . 6508 1
598 . 1 1 58 58 THR N N 15 122.233 . . . . . . . . . . . 6508 1
599 . 1 1 59 59 MET H H 1 7.899 . . . . . . . . . . . 6508 1
600 . 1 1 59 59 MET HA H 1 4.322 . . . . . . . . . . . 6508 1
601 . 1 1 59 59 MET HB2 H 1 2.158 . . . . . . . . . . . 6508 1
602 . 1 1 59 59 MET HB3 H 1 1.941 . . . . . . . . . . . 6508 1
603 . 1 1 59 59 MET HG2 H 1 2.641 . . . . . . . . . . . 6508 1
604 . 1 1 59 59 MET HG3 H 1 2.553 . . . . . . . . . . . 6508 1
605 . 1 1 59 59 MET HE1 H 1 1.296 . . . . . . . . . . . 6508 1
606 . 1 1 59 59 MET HE2 H 1 1.296 . . . . . . . . . . . 6508 1
607 . 1 1 59 59 MET HE3 H 1 1.296 . . . . . . . . . . . 6508 1
608 . 1 1 59 59 MET CA C 13 60.516 . . . . . . . . . . . 6508 1
609 . 1 1 59 59 MET CB C 13 33.138 . . . . . . . . . . . 6508 1
610 . 1 1 59 59 MET CG C 13 33.138 . . . . . . . . . . . 6508 1
611 . 1 1 59 59 MET CE C 13 16.214 . . . . . . . . . . . 6508 1
612 . 1 1 59 59 MET N N 15 117.756 . . . . . . . . . . . 6508 1
613 . 1 1 60 60 SER H H 1 7.987 . . . . . . . . . . . 6508 1
614 . 1 1 60 60 SER HA H 1 4.426 . . . . . . . . . . . 6508 1
615 . 1 1 60 60 SER HB2 H 1 4.229 . . . . . . . . . . . 6508 1
616 . 1 1 60 60 SER HB3 H 1 4.058 . . . . . . . . . . . 6508 1
617 . 1 1 60 60 SER CA C 13 62.615 . . . . . . . . . . . 6508 1
618 . 1 1 60 60 SER CB C 13 62.756 . . . . . . . . . . . 6508 1
619 . 1 1 60 60 SER N N 15 116.366 . . . . . . . . . . . 6508 1
620 . 1 1 61 61 GLU H H 1 8.161 . . . . . . . . . . . 6508 1
621 . 1 1 61 61 GLU HA H 1 4.086 . . . . . . . . . . . 6508 1
622 . 1 1 61 61 GLU HB2 H 1 2.245 . . . . . . . . . . . 6508 1
623 . 1 1 61 61 GLU HB3 H 1 2.097 . . . . . . . . . . . 6508 1
624 . 1 1 61 61 GLU HG2 H 1 2.392 . . . . . . . . . . . 6508 1
625 . 1 1 61 61 GLU HG3 H 1 2.256 . . . . . . . . . . . 6508 1
626 . 1 1 61 61 GLU CA C 13 59.321 . . . . . . . . . . . 6508 1
627 . 1 1 61 61 GLU CB C 13 28.906 . . . . . . . . . . . 6508 1
628 . 1 1 61 61 GLU CG C 13 36.111 . . . . . . . . . . . 6508 1
629 . 1 1 61 61 GLU N N 15 124.549 . . . . . . . . . . . 6508 1
630 . 1 1 62 62 ARG H H 1 8.381 . . . . . . . . . . . 6508 1
631 . 1 1 62 62 ARG HA H 1 3.890 . . . . . . . . . . . 6508 1
632 . 1 1 62 62 ARG HB2 H 1 2.065 . . . . . . . . . . . 6508 1
633 . 1 1 62 62 ARG HB3 H 1 1.108 . . . . . . . . . . . 6508 1
634 . 1 1 62 62 ARG HG2 H 1 1.732 . . . . . . . . . . . 6508 1
635 . 1 1 62 62 ARG HG3 H 1 0.903 . . . . . . . . . . . 6508 1
636 . 1 1 62 62 ARG HD2 H 1 2.602 . . . . . . . . . . . 6508 1
637 . 1 1 62 62 ARG HD3 H 1 2.069 . . . . . . . . . . . 6508 1
638 . 1 1 62 62 ARG CA C 13 60.267 . . . . . . . . . . . 6508 1
639 . 1 1 62 62 ARG CB C 13 30.401 . . . . . . . . . . . 6508 1
640 . 1 1 62 62 ARG CG C 13 29.155 . . . . . . . . . . . 6508 1
641 . 1 1 62 62 ARG CD C 13 43.840 . . . . . . . . . . . 6508 1
642 . 1 1 62 62 ARG N N 15 120.380 . . . . . . . . . . . 6508 1
643 . 1 1 63 63 LEU H H 1 8.885 . . . . . . . . . . . 6508 1
644 . 1 1 63 63 LEU HA H 1 4.706 . . . . . . . . . . . 6508 1
645 . 1 1 63 63 LEU HB2 H 1 2.331 . . . . . . . . . . . 6508 1
646 . 1 1 63 63 LEU HB3 H 1 1.960 . . . . . . . . . . . 6508 1
647 . 1 1 63 63 LEU HG H 1 1.841 . . . . . . . . . . . 6508 1
648 . 1 1 63 63 LEU HD11 H 1 0.919 . . . . . . . . . . . 6508 1
649 . 1 1 63 63 LEU HD12 H 1 0.919 . . . . . . . . . . . 6508 1
650 . 1 1 63 63 LEU HD13 H 1 0.919 . . . . . . . . . . . 6508 1
651 . 1 1 63 63 LEU HD21 H 1 1.077 . . . . . . . . . . . 6508 1
652 . 1 1 63 63 LEU HD22 H 1 1.077 . . . . . . . . . . . 6508 1
653 . 1 1 63 63 LEU HD23 H 1 1.077 . . . . . . . . . . . 6508 1
654 . 1 1 63 63 LEU CA C 13 58.276 . . . . . . . . . . . 6508 1
655 . 1 1 63 63 LEU CB C 13 42.098 . . . . . . . . . . . 6508 1
656 . 1 1 63 63 LEU CG C 13 27.165 . . . . . . . . . . . 6508 1
657 . 1 1 63 63 LEU CD1 C 13 26.916 . . . . . . . . . . . 6508 1
658 . 1 1 63 63 LEU CD2 C 13 25.423 . . . . . . . . . . . 6508 1
659 . 1 1 63 63 LEU N N 15 120.380 . . . . . . . . . . . 6508 1
660 . 1 1 64 64 LYS H H 1 7.975 . . . . . . . . . . . 6508 1
661 . 1 1 64 64 LYS HA H 1 4.376 . . . . . . . . . . . 6508 1
662 . 1 1 64 64 LYS HB2 H 1 2.067 . . . . . . . . . . . 6508 1
663 . 1 1 64 64 LYS HB3 H 1 2.079 . . . . . . . . . . . 6508 1
664 . 1 1 64 64 LYS HG2 H 1 1.630 . . . . . . . . . . . 6508 1
665 . 1 1 64 64 LYS HD2 H 1 1.793 . . . . . . . . . . . 6508 1
666 . 1 1 64 64 LYS HE2 H 1 3.026 . . . . . . . . . . . 6508 1
667 . 1 1 64 64 LYS HE3 H 1 3.025 . . . . . . . . . . . 6508 1
668 . 1 1 64 64 LYS CA C 13 59.271 . . . . . . . . . . . 6508 1
669 . 1 1 64 64 LYS CB C 13 32.143 . . . . . . . . . . . 6508 1
670 . 1 1 64 64 LYS CG C 13 24.925 . . . . . . . . . . . 6508 1
671 . 1 1 64 64 LYS CD C 13 29.405 . . . . . . . . . . . 6508 1
672 . 1 1 64 64 LYS CE C 13 42.098 . . . . . . . . . . . 6508 1
673 . 1 1 64 64 LYS N N 15 119.917 . . . . . . . . . . . 6508 1
674 . 1 1 65 65 ASN H H 1 7.960 . . . . . . . . . . . 6508 1
675 . 1 1 65 65 ASN HA H 1 4.807 . . . . . . . . . . . 6508 1
676 . 1 1 65 65 ASN HB2 H 1 3.037 . . . . . . . . . . . 6508 1
677 . 1 1 65 65 ASN HB3 H 1 2.794 . . . . . . . . . . . 6508 1
678 . 1 1 65 65 ASN HD21 H 1 7.605 . . . . . . . . . . . 6508 1
679 . 1 1 65 65 ASN HD22 H 1 6.973 . . . . . . . . . . . 6508 1
680 . 1 1 65 65 ASN CA C 13 53.298 . . . . . . . . . . . 6508 1
681 . 1 1 65 65 ASN CB C 13 38.160 . . . . . . . . . . . 6508 1
682 . 1 1 65 65 ASN N N 15 116.212 . . . . . . . . . . . 6508 1
683 . 1 1 65 65 ASN ND2 N 15 112.352 . . . . . . . . . . . 6508 1
684 . 1 1 66 66 ARG H H 1 8.184 . . . . . . . . . . . 6508 1
685 . 1 1 66 66 ARG HA H 1 4.429 . . . . . . . . . . . 6508 1
686 . 1 1 66 66 ARG HB2 H 1 2.114 . . . . . . . . . . . 6508 1
687 . 1 1 66 66 ARG HB3 H 1 2.036 . . . . . . . . . . . 6508 1
688 . 1 1 66 66 ARG HG2 H 1 1.588 . . . . . . . . . . . 6508 1
689 . 1 1 66 66 ARG HG3 H 1 1.542 . . . . . . . . . . . 6508 1
690 . 1 1 66 66 ARG HD2 H 1 3.110 . . . . . . . . . . . 6508 1
691 . 1 1 66 66 ARG HD3 H 1 3.067 . . . . . . . . . . . 6508 1
692 . 1 1 66 66 ARG CA C 13 56.533 . . . . . . . . . . . 6508 1
693 . 1 1 66 66 ARG CB C 13 25.422 . . . . . . . . . . . 6508 1
694 . 1 1 66 66 ARG CG C 13 27.662 . . . . . . . . . . . 6508 1
695 . 1 1 66 66 ARG CD C 13 42.596 . . . . . . . . . . . 6508 1
696 . 1 1 66 66 ARG N N 15 114.205 . . . . . . . . . . . 6508 1
697 . 1 1 67 67 TYR H H 1 8.225 . . . . . . . . . . . 6508 1
698 . 1 1 67 67 TYR HA H 1 4.086 . . . . . . . . . . . 6508 1
699 . 1 1 67 67 TYR HB2 H 1 2.975 . . . . . . . . . . . 6508 1
700 . 1 1 67 67 TYR HB3 H 1 2.093 . . . . . . . . . . . 6508 1
701 . 1 1 67 67 TYR HD1 H 1 6.320 . . . . . . . . . . . 6508 1
702 . 1 1 67 67 TYR HE1 H 1 6.737 . . . . . . . . . . . 6508 1
703 . 1 1 67 67 TYR CA C 13 60.018 . . . . . . . . . . . 6508 1
704 . 1 1 67 67 TYR CB C 13 40.605 . . . . . . . . . . . 6508 1
705 . 1 1 67 67 TYR CD1 C 13 133.297 . . . . . . . . . . . 6508 1
706 . 1 1 67 67 TYR CE1 C 13 117.561 . . . . . . . . . . . 6508 1
707 . 1 1 67 67 TYR N N 15 116.829 . . . . . . . . . . . 6508 1
708 . 1 1 68 68 TYR H H 1 8.011 . . . . . . . . . . . 6508 1
709 . 1 1 68 68 TYR HA H 1 4.562 . . . . . . . . . . . 6508 1
710 . 1 1 68 68 TYR HB2 H 1 3.104 . . . . . . . . . . . 6508 1
711 . 1 1 68 68 TYR HB3 H 1 2.918 . . . . . . . . . . . 6508 1
712 . 1 1 68 68 TYR HD1 H 1 7.189 . . . . . . . . . . . 6508 1
713 . 1 1 68 68 TYR HE1 H 1 7.331 . . . . . . . . . . . 6508 1
714 . 1 1 68 68 TYR CA C 13 57.778 . . . . . . . . . . . 6508 1
715 . 1 1 68 68 TYR CB C 13 36.077 . . . . . . . . . . . 6508 1
716 . 1 1 68 68 TYR CD1 C 13 131.847 . . . . . . . . . . . 6508 1
717 . 1 1 68 68 TYR CE1 C 13 119.010 . . . . . . . . . . . 6508 1
718 . 1 1 68 68 TYR N N 15 114.822 . . . . . . . . . . . 6508 1
719 . 1 1 69 69 VAL H H 1 7.689 . . . . . . . . . . . 6508 1
720 . 1 1 69 69 VAL HA H 1 4.110 . . . . . . . . . . . 6508 1
721 . 1 1 69 69 VAL HB H 1 2.337 . . . . . . . . . . . 6508 1
722 . 1 1 69 69 VAL HG11 H 1 0.977 . . . . . . . . . . . 6508 1
723 . 1 1 69 69 VAL HG12 H 1 0.977 . . . . . . . . . . . 6508 1
724 . 1 1 69 69 VAL HG13 H 1 0.977 . . . . . . . . . . . 6508 1
725 . 1 1 69 69 VAL HG21 H 1 0.848 . . . . . . . . . . . 6508 1
726 . 1 1 69 69 VAL HG22 H 1 0.848 . . . . . . . . . . . 6508 1
727 . 1 1 69 69 VAL HG23 H 1 0.848 . . . . . . . . . . . 6508 1
728 . 1 1 69 69 VAL CA C 13 62.009 . . . . . . . . . . . 6508 1
729 . 1 1 69 69 VAL CB C 13 31.411 . . . . . . . . . . . 6508 1
730 . 1 1 69 69 VAL CG1 C 13 21.441 . . . . . . . . . . . 6508 1
731 . 1 1 69 69 VAL CG2 C 13 18.703 . . . . . . . . . . . 6508 1
732 . 1 1 69 69 VAL N N 15 115.903 . . . . . . . . . . . 6508 1
733 . 1 1 70 70 SER H H 1 7.432 . . . . . . . . . . . 6508 1
734 . 1 1 70 70 SER HA H 1 4.802 . . . . . . . . . . . 6508 1
735 . 1 1 70 70 SER HB2 H 1 4.214 . . . . . . . . . . . 6508 1
736 . 1 1 70 70 SER HB3 H 1 3.753 . . . . . . . . . . . 6508 1
737 . 1 1 70 70 SER CA C 13 55.538 . . . . . . . . . . . 6508 1
738 . 1 1 70 70 SER CB C 13 66.240 . . . . . . . . . . . 6508 1
739 . 1 1 70 70 SER N N 15 111.426 . . . . . . . . . . . 6508 1
740 . 1 1 71 71 LYS HA H 1 4.514 . . . . . . . . . . . 6508 1
741 . 1 1 71 71 LYS CA C 13 55.787 . . . . . . . . . . . 6508 1
742 . 1 1 72 72 LYS H H 1 8.259 . . . . . . . . . . . 6508 1
743 . 1 1 72 72 LYS HA H 1 4.069 . . . . . . . . . . . 6508 1
744 . 1 1 72 72 LYS HB2 H 1 1.893 . . . . . . . . . . . 6508 1
745 . 1 1 72 72 LYS HB3 H 1 1.857 . . . . . . . . . . . 6508 1
746 . 1 1 72 72 LYS HG2 H 1 1.505 . . . . . . . . . . . 6508 1
747 . 1 1 72 72 LYS HD2 H 1 1.673 . . . . . . . . . . . 6508 1
748 . 1 1 72 72 LYS HE2 H 1 3.237 . . . . . . . . . . . 6508 1
749 . 1 1 72 72 LYS CA C 13 59.520 . . . . . . . . . . . 6508 1
750 . 1 1 72 72 LYS CB C 13 31.644 . . . . . . . . . . . 6508 1
751 . 1 1 72 72 LYS CG C 13 24.675 . . . . . . . . . . . 6508 1
752 . 1 1 72 72 LYS CD C 13 28.409 . . . . . . . . . . . 6508 1
753 . 1 1 72 72 LYS CE C 13 41.351 . . . . . . . . . . . 6508 1
754 . 1 1 72 72 LYS N N 15 120.226 . . . . . . . . . . . 6508 1
755 . 1 1 73 73 LEU H H 1 7.420 . . . . . . . . . . . 6508 1
756 . 1 1 73 73 LEU HA H 1 4.251 . . . . . . . . . . . 6508 1
757 . 1 1 73 73 LEU HB2 H 1 2.022 . . . . . . . . . . . 6508 1
758 . 1 1 73 73 LEU HB3 H 1 1.920 . . . . . . . . . . . 6508 1
759 . 1 1 73 73 LEU HG H 1 1.787 . . . . . . . . . . . 6508 1
760 . 1 1 73 73 LEU HD11 H 1 0.969 . . . . . . . . . . . 6508 1
761 . 1 1 73 73 LEU HD12 H 1 0.969 . . . . . . . . . . . 6508 1
762 . 1 1 73 73 LEU HD13 H 1 0.969 . . . . . . . . . . . 6508 1
763 . 1 1 73 73 LEU HD21 H 1 0.919 . . . . . . . . . . . 6508 1
764 . 1 1 73 73 LEU HD22 H 1 0.919 . . . . . . . . . . . 6508 1
765 . 1 1 73 73 LEU HD23 H 1 0.919 . . . . . . . . . . . 6508 1
766 . 1 1 73 73 LEU CA C 13 57.778 . . . . . . . . . . . 6508 1
767 . 1 1 73 73 LEU CB C 13 43.591 . . . . . . . . . . . 6508 1
768 . 1 1 73 73 LEU CG C 13 27.414 . . . . . . . . . . . 6508 1
769 . 1 1 73 73 LEU CD1 C 13 25.758 . . . . . . . . . . . 6508 1
770 . 1 1 73 73 LEU CD2 C 13 23.432 . . . . . . . . . . . 6508 1
771 . 1 1 73 73 LEU N N 15 118.836 . . . . . . . . . . . 6508 1
772 . 1 1 74 74 PHE H H 1 6.945 . . . . . . . . . . . 6508 1
773 . 1 1 74 74 PHE HA H 1 3.778 . . . . . . . . . . . 6508 1
774 . 1 1 74 74 PHE HB2 H 1 2.988 . . . . . . . . . . . 6508 1
775 . 1 1 74 74 PHE HB3 H 1 2.432 . . . . . . . . . . . 6508 1
776 . 1 1 74 74 PHE HD1 H 1 6.415 . . . . . . . . . . . 6508 1
777 . 1 1 74 74 PHE HE1 H 1 6.960 . . . . . . . . . . . 6508 1
778 . 1 1 74 74 PHE HZ H 1 7.060 . . . . . . . . . . . 6508 1
779 . 1 1 74 74 PHE CA C 13 60.765 . . . . . . . . . . . 6508 1
780 . 1 1 74 74 PHE CB C 13 39.609 . . . . . . . . . . . 6508 1
781 . 1 1 74 74 PHE CD1 C 13 132.262 . . . . . . . . . . . 6508 1
782 . 1 1 74 74 PHE CE1 C 13 130.191 . . . . . . . . . . . 6508 1
783 . 1 1 74 74 PHE N N 15 118.836 . . . . . . . . . . . 6508 1
784 . 1 1 75 75 MET H H 1 8.509 . . . . . . . . . . . 6508 1
785 . 1 1 75 75 MET HA H 1 3.945 . . . . . . . . . . . 6508 1
786 . 1 1 75 75 MET HB2 H 1 2.339 . . . . . . . . . . . 6508 1
787 . 1 1 75 75 MET HB3 H 1 2.229 . . . . . . . . . . . 6508 1
788 . 1 1 75 75 MET HG2 H 1 2.954 . . . . . . . . . . . 6508 1
789 . 1 1 75 75 MET HG3 H 1 2.631 . . . . . . . . . . . 6508 1
790 . 1 1 75 75 MET HE1 H 1 2.094 . . . . . . . . . . . 6508 1
791 . 1 1 75 75 MET HE2 H 1 2.094 . . . . . . . . . . . 6508 1
792 . 1 1 75 75 MET HE3 H 1 2.094 . . . . . . . . . . . 6508 1
793 . 1 1 75 75 MET CA C 13 59.022 . . . . . . . . . . . 6508 1
794 . 1 1 75 75 MET CB C 13 32.391 . . . . . . . . . . . 6508 1
795 . 1 1 75 75 MET CG C 13 32.292 . . . . . . . . . . . 6508 1
796 . 1 1 75 75 MET CE C 13 16.961 . . . . . . . . . . . 6508 1
797 . 1 1 75 75 MET N N 15 116.366 . . . . . . . . . . . 6508 1
798 . 1 1 76 76 ALA H H 1 8.016 . . . . . . . . . . . 6508 1
799 . 1 1 76 76 ALA HA H 1 4.102 . . . . . . . . . . . 6508 1
800 . 1 1 76 76 ALA HB1 H 1 1.520 . . . . . . . . . . . 6508 1
801 . 1 1 76 76 ALA HB2 H 1 1.520 . . . . . . . . . . . 6508 1
802 . 1 1 76 76 ALA HB3 H 1 1.520 . . . . . . . . . . . 6508 1
803 . 1 1 76 76 ALA CA C 13 55.040 . . . . . . . . . . . 6508 1
804 . 1 1 76 76 ALA CB C 13 18.204 . . . . . . . . . . . 6508 1
805 . 1 1 76 76 ALA N N 15 119.917 . . . . . . . . . . . 6508 1
806 . 1 1 77 77 ASP H H 1 7.385 . . . . . . . . . . . 6508 1
807 . 1 1 77 77 ASP HA H 1 4.371 . . . . . . . . . . . 6508 1
808 . 1 1 77 77 ASP HB2 H 1 2.742 . . . . . . . . . . . 6508 1
809 . 1 1 77 77 ASP CA C 13 57.529 . . . . . . . . . . . 6508 1
810 . 1 1 77 77 ASP CB C 13 38.614 . . . . . . . . . . . 6508 1
811 . 1 1 77 77 ASP N N 15 119.763 . . . . . . . . . . . 6508 1
812 . 1 1 78 78 LEU H H 1 7.408 . . . . . . . . . . . 6508 1
813 . 1 1 78 78 LEU HA H 1 3.413 . . . . . . . . . . . 6508 1
814 . 1 1 78 78 LEU HB2 H 1 0.758 . . . . . . . . . . . 6508 1
815 . 1 1 78 78 LEU HB3 H 1 0.468 . . . . . . . . . . . 6508 1
816 . 1 1 78 78 LEU HG H 1 0.700 . . . . . . . . . . . 6508 1
817 . 1 1 78 78 LEU HD11 H 1 0.103 . . . . . . . . . . . 6508 1
818 . 1 1 78 78 LEU HD12 H 1 0.103 . . . . . . . . . . . 6508 1
819 . 1 1 78 78 LEU HD13 H 1 0.103 . . . . . . . . . . . 6508 1
820 . 1 1 78 78 LEU HD21 H 1 0.213 . . . . . . . . . . . 6508 1
821 . 1 1 78 78 LEU HD22 H 1 0.213 . . . . . . . . . . . 6508 1
822 . 1 1 78 78 LEU HD23 H 1 0.213 . . . . . . . . . . . 6508 1
823 . 1 1 78 78 LEU CA C 13 57.778 . . . . . . . . . . . 6508 1
824 . 1 1 78 78 LEU CB C 13 40.107 . . . . . . . . . . . 6508 1
825 . 1 1 78 78 LEU CG C 13 27.663 . . . . . . . . . . . 6508 1
826 . 1 1 78 78 LEU CD1 C 13 25.921 . . . . . . . . . . . 6508 1
827 . 1 1 78 78 LEU CD2 C 13 24.177 . . . . . . . . . . . 6508 1
828 . 1 1 78 78 LEU N N 15 119.608 . . . . . . . . . . . 6508 1
829 . 1 1 79 79 GLN H H 1 8.085 . . . . . . . . . . . 6508 1
830 . 1 1 79 79 GLN HA H 1 3.826 . . . . . . . . . . . 6508 1
831 . 1 1 79 79 GLN HB2 H 1 2.201 . . . . . . . . . . . 6508 1
832 . 1 1 79 79 GLN HB3 H 1 2.083 . . . . . . . . . . . 6508 1
833 . 1 1 79 79 GLN HG2 H 1 2.450 . . . . . . . . . . . 6508 1
834 . 1 1 79 79 GLN HG3 H 1 2.461 . . . . . . . . . . . 6508 1
835 . 1 1 79 79 GLN HE21 H 1 7.301 . . . . . . . . . . . 6508 1
836 . 1 1 79 79 GLN HE22 H 1 7.195 . . . . . . . . . . . 6508 1
837 . 1 1 79 79 GLN CA C 13 59.022 . . . . . . . . . . . 6508 1
838 . 1 1 79 79 GLN CB C 13 28.907 . . . . . . . . . . . 6508 1
839 . 1 1 79 79 GLN CG C 13 35.331 . . . . . . . . . . . 6508 1
840 . 1 1 79 79 GLN CD C 13 180.113 . . . . . . . . . . . 6508 1
841 . 1 1 79 79 GLN N N 15 114.050 . . . . . . . . . . . 6508 1
842 . 1 1 79 79 GLN NE2 N 15 111.271 . . . . . . . . . . . 6508 1
843 . 1 1 80 80 ARG H H 1 7.387 . . . . . . . . . . . 6508 1
844 . 1 1 80 80 ARG HA H 1 4.085 . . . . . . . . . . . 6508 1
845 . 1 1 80 80 ARG HB2 H 1 2.004 . . . . . . . . . . . 6508 1
846 . 1 1 80 80 ARG HB3 H 1 1.920 . . . . . . . . . . . 6508 1
847 . 1 1 80 80 ARG HG2 H 1 1.754 . . . . . . . . . . . 6508 1
848 . 1 1 80 80 ARG HD2 H 1 3.392 . . . . . . . . . . . 6508 1
849 . 1 1 80 80 ARG HD3 H 1 3.323 . . . . . . . . . . . 6508 1
850 . 1 1 80 80 ARG CA C 13 58.276 . . . . . . . . . . . 6508 1
851 . 1 1 80 80 ARG CB C 13 29.653 . . . . . . . . . . . 6508 1
852 . 1 1 80 80 ARG CG C 13 26.916 . . . . . . . . . . . 6508 1
853 . 1 1 80 80 ARG CD C 13 43.094 . . . . . . . . . . . 6508 1
854 . 1 1 80 80 ARG N N 15 118.682 . . . . . . . . . . . 6508 1
855 . 1 1 81 81 VAL H H 1 6.970 . . . . . . . . . . . 6508 1
856 . 1 1 81 81 VAL HA H 1 3.118 . . . . . . . . . . . 6508 1
857 . 1 1 81 81 VAL HB H 1 1.488 . . . . . . . . . . . 6508 1
858 . 1 1 81 81 VAL HG11 H 1 0.504 . . . . . . . . . . . 6508 1
859 . 1 1 81 81 VAL HG12 H 1 0.504 . . . . . . . . . . . 6508 1
860 . 1 1 81 81 VAL HG13 H 1 0.504 . . . . . . . . . . . 6508 1
861 . 1 1 81 81 VAL HG21 H 1 0.154 . . . . . . . . . . . 6508 1
862 . 1 1 81 81 VAL HG22 H 1 0.154 . . . . . . . . . . . 6508 1
863 . 1 1 81 81 VAL HG23 H 1 0.154 . . . . . . . . . . . 6508 1
864 . 1 1 81 81 VAL CA C 13 66.493 . . . . . . . . . . . 6508 1
865 . 1 1 81 81 VAL CB C 13 30.649 . . . . . . . . . . . 6508 1
866 . 1 1 81 81 VAL CG1 C 13 22.187 . . . . . . . . . . . 6508 1
867 . 1 1 81 81 VAL CG2 C 13 21.720 . . . . . . . . . . . 6508 1
868 . 1 1 81 81 VAL N N 15 117.910 . . . . . . . . . . . 6508 1
869 . 1 1 82 82 PHE H H 1 6.381 . . . . . . . . . . . 6508 1
870 . 1 1 82 82 PHE HA H 1 4.180 . . . . . . . . . . . 6508 1
871 . 1 1 82 82 PHE HB2 H 1 3.140 . . . . . . . . . . . 6508 1
872 . 1 1 82 82 PHE HB3 H 1 2.999 . . . . . . . . . . . 6508 1
873 . 1 1 82 82 PHE HD1 H 1 6.700 . . . . . . . . . . . 6508 1
874 . 1 1 82 82 PHE HE1 H 1 6.522 . . . . . . . . . . . 6508 1
875 . 1 1 82 82 PHE HZ H 1 6.471 . . . . . . . . . . . 6508 1
876 . 1 1 82 82 PHE CA C 13 58.500 . . . . . . . . . . . 6508 1
877 . 1 1 82 82 PHE CB C 13 37.867 . . . . . . . . . . . 6508 1
878 . 1 1 82 82 PHE CD1 C 13 131.019 . . . . . . . . . . . 6508 1
879 . 1 1 82 82 PHE CE1 C 13 130.812 . . . . . . . . . . . 6508 1
880 . 1 1 82 82 PHE CZ C 13 128.121 . . . . . . . . . . . 6508 1
881 . 1 1 82 82 PHE N N 15 116.984 . . . . . . . . . . . 6508 1
882 . 1 1 83 83 THR H H 1 9.063 . . . . . . . . . . . 6508 1
883 . 1 1 83 83 THR HA H 1 3.877 . . . . . . . . . . . 6508 1
884 . 1 1 83 83 THR HB H 1 4.233 . . . . . . . . . . . 6508 1
885 . 1 1 83 83 THR HG21 H 1 1.327 . . . . . . . . . . . 6508 1
886 . 1 1 83 83 THR HG22 H 1 1.327 . . . . . . . . . . . 6508 1
887 . 1 1 83 83 THR HG23 H 1 1.327 . . . . . . . . . . . 6508 1
888 . 1 1 83 83 THR CA C 13 66.573 . . . . . . . . . . . 6508 1
889 . 1 1 83 83 THR CB C 13 68.231 . . . . . . . . . . . 6508 1
890 . 1 1 83 83 THR CG2 C 13 22.216 . . . . . . . . . . . 6508 1
891 . 1 1 83 83 THR N N 15 114.977 . . . . . . . . . . . 6508 1
892 . 1 1 84 84 ASN H H 1 8.889 . . . . . . . . . . . 6508 1
893 . 1 1 84 84 ASN HA H 1 4.329 . . . . . . . . . . . 6508 1
894 . 1 1 84 84 ASN HB2 H 1 3.055 . . . . . . . . . . . 6508 1
895 . 1 1 84 84 ASN HB3 H 1 2.624 . . . . . . . . . . . 6508 1
896 . 1 1 84 84 ASN CA C 13 55.289 . . . . . . . . . . . 6508 1
897 . 1 1 84 84 ASN CB C 13 37.618 . . . . . . . . . . . 6508 1
898 . 1 1 84 84 ASN N N 15 120.998 . . . . . . . . . . . 6508 1
899 . 1 1 85 85 CYS H H 1 6.926 . . . . . . . . . . . 6508 1
900 . 1 1 85 85 CYS HA H 1 4.548 . . . . . . . . . . . 6508 1
901 . 1 1 85 85 CYS HB2 H 1 3.398 . . . . . . . . . . . 6508 1
902 . 1 1 85 85 CYS HB3 H 1 3.083 . . . . . . . . . . . 6508 1
903 . 1 1 85 85 CYS CA C 13 61.746 . . . . . . . . . . . 6508 1
904 . 1 1 85 85 CYS CB C 13 26.666 . . . . . . . . . . . 6508 1
905 . 1 1 85 85 CYS N N 15 117.138 . . . . . . . . . . . 6508 1
906 . 1 1 86 86 LYS H H 1 7.730 . . . . . . . . . . . 6508 1
907 . 1 1 86 86 LYS HA H 1 4.245 . . . . . . . . . . . 6508 1
908 . 1 1 86 86 LYS HB2 H 1 1.780 . . . . . . . . . . . 6508 1
909 . 1 1 86 86 LYS HG2 H 1 1.306 . . . . . . . . . . . 6508 1
910 . 1 1 86 86 LYS HG3 H 1 0.094 . . . . . . . . . . . 6508 1
911 . 1 1 86 86 LYS HD2 H 1 1.366 . . . . . . . . . . . 6508 1
912 . 1 1 86 86 LYS HD3 H 1 1.310 . . . . . . . . . . . 6508 1
913 . 1 1 86 86 LYS HE2 H 1 2.519 . . . . . . . . . . . 6508 1
914 . 1 1 86 86 LYS HE3 H 1 2.466 . . . . . . . . . . . 6508 1
915 . 1 1 86 86 LYS CA C 13 58.499 . . . . . . . . . . . 6508 1
916 . 1 1 86 86 LYS CB C 13 32.446 . . . . . . . . . . . 6508 1
917 . 1 1 86 86 LYS CG C 13 25.422 . . . . . . . . . . . 6508 1
918 . 1 1 86 86 LYS CD C 13 29.654 . . . . . . . . . . . 6508 1
919 . 1 1 86 86 LYS CE C 13 41.103 . . . . . . . . . . . 6508 1
920 . 1 1 86 86 LYS N N 15 116.984 . . . . . . . . . . . 6508 1
921 . 1 1 87 87 GLU H H 1 7.986 . . . . . . . . . . . 6508 1
922 . 1 1 87 87 GLU HA H 1 4.286 . . . . . . . . . . . 6508 1
923 . 1 1 87 87 GLU HB2 H 1 2.183 . . . . . . . . . . . 6508 1
924 . 1 1 87 87 GLU HB3 H 1 2.002 . . . . . . . . . . . 6508 1
925 . 1 1 87 87 GLU HG2 H 1 2.414 . . . . . . . . . . . 6508 1
926 . 1 1 87 87 GLU HG3 H 1 2.201 . . . . . . . . . . . 6508 1
927 . 1 1 87 87 GLU CA C 13 57.951 . . . . . . . . . . . 6508 1
928 . 1 1 87 87 GLU CB C 13 30.151 . . . . . . . . . . . 6508 1
929 . 1 1 87 87 GLU CG C 13 36.390 . . . . . . . . . . . 6508 1
930 . 1 1 87 87 GLU N N 15 118.373 . . . . . . . . . . . 6508 1
931 . 1 1 88 88 TYR H H 1 7.932 . . . . . . . . . . . 6508 1
932 . 1 1 88 88 TYR HA H 1 4.315 . . . . . . . . . . . 6508 1
933 . 1 1 88 88 TYR HB2 H 1 2.933 . . . . . . . . . . . 6508 1
934 . 1 1 88 88 TYR HB3 H 1 2.887 . . . . . . . . . . . 6508 1
935 . 1 1 88 88 TYR HD1 H 1 7.069 . . . . . . . . . . . 6508 1
936 . 1 1 88 88 TYR HE1 H 1 6.844 . . . . . . . . . . . 6508 1
937 . 1 1 88 88 TYR CA C 13 61.262 . . . . . . . . . . . 6508 1
938 . 1 1 88 88 TYR CB C 13 40.854 . . . . . . . . . . . 6508 1
939 . 1 1 88 88 TYR CD1 C 13 133.297 . . . . . . . . . . . 6508 1
940 . 1 1 88 88 TYR CE1 C 13 118.182 . . . . . . . . . . . 6508 1
941 . 1 1 88 88 TYR N N 15 115.903 . . . . . . . . . . . 6508 1
942 . 1 1 89 89 ASN H H 1 8.083 . . . . . . . . . . . 6508 1
943 . 1 1 89 89 ASN HA H 1 5.047 . . . . . . . . . . . 6508 1
944 . 1 1 89 89 ASN HB2 H 1 3.207 . . . . . . . . . . . 6508 1
945 . 1 1 89 89 ASN HB3 H 1 2.974 . . . . . . . . . . . 6508 1
946 . 1 1 89 89 ASN HD21 H 1 8.355 . . . . . . . . . . . 6508 1
947 . 1 1 89 89 ASN HD22 H 1 7.791 . . . . . . . . . . . 6508 1
948 . 1 1 89 89 ASN CA C 13 51.817 . . . . . . . . . . . 6508 1
949 . 1 1 89 89 ASN CB C 13 40.605 . . . . . . . . . . . 6508 1
950 . 1 1 89 89 ASN N N 15 115.285 . . . . . . . . . . . 6508 1
951 . 1 1 89 89 ASN ND2 N 15 119.416 . . . . . . . . . . . 6508 1
952 . 1 1 90 90 PRO HA H 1 4.844 . . . . . . . . . . . 6508 1
953 . 1 1 90 90 PRO HB2 H 1 2.414 . . . . . . . . . . . 6508 1
954 . 1 1 90 90 PRO HB3 H 1 2.188 . . . . . . . . . . . 6508 1
955 . 1 1 90 90 PRO HD2 H 1 4.016 . . . . . . . . . . . 6508 1
956 . 1 1 90 90 PRO HD3 H 1 3.849 . . . . . . . . . . . 6508 1
957 . 1 1 90 90 PRO CA C 13 61.262 . . . . . . . . . . . 6508 1
958 . 1 1 90 90 PRO CB C 13 31.147 . . . . . . . . . . . 6508 1
959 . 1 1 90 90 PRO CD C 13 50.311 . . . . . . . . . . . 6508 1
960 . 1 1 91 91 PRO HA H 1 2.499 . . . . . . . . . . . 6508 1
961 . 1 1 91 91 PRO HB2 H 1 1.612 . . . . . . . . . . . 6508 1
962 . 1 1 91 91 PRO HG2 H 1 1.981 . . . . . . . . . . . 6508 1
963 . 1 1 91 91 PRO HG3 H 1 1.701 . . . . . . . . . . . 6508 1
964 . 1 1 91 91 PRO HD2 H 1 3.688 . . . . . . . . . . . 6508 1
965 . 1 1 91 91 PRO HD3 H 1 3.683 . . . . . . . . . . . 6508 1
966 . 1 1 91 91 PRO CA C 13 63.751 . . . . . . . . . . . 6508 1
967 . 1 1 91 91 PRO CB C 13 31.645 . . . . . . . . . . . 6508 1
968 . 1 1 91 91 PRO CG C 13 27.414 . . . . . . . . . . . 6508 1
969 . 1 1 91 91 PRO CD C 13 50.560 . . . . . . . . . . . 6508 1
970 . 1 1 92 92 GLU H H 1 8.341 . . . . . . . . . . . 6508 1
971 . 1 1 92 92 GLU HA H 1 4.201 . . . . . . . . . . . 6508 1
972 . 1 1 92 92 GLU HB2 H 1 2.120 . . . . . . . . . . . 6508 1
973 . 1 1 92 92 GLU HB3 H 1 1.976 . . . . . . . . . . . 6508 1
974 . 1 1 92 92 GLU HG2 H 1 2.381 . . . . . . . . . . . 6508 1
975 . 1 1 92 92 GLU HG3 H 1 2.234 . . . . . . . . . . . 6508 1
976 . 1 1 92 92 GLU CA C 13 56.992 . . . . . . . . . . . 6508 1
977 . 1 1 92 92 GLU CB C 13 28.409 . . . . . . . . . . . 6508 1
978 . 1 1 92 92 GLU CG C 13 37.120 . . . . . . . . . . . 6508 1
979 . 1 1 92 92 GLU N N 15 112.970 . . . . . . . . . . . 6508 1
980 . 1 1 93 93 SER H H 1 8.046 . . . . . . . . . . . 6508 1
981 . 1 1 93 93 SER HA H 1 4.411 . . . . . . . . . . . 6508 1
982 . 1 1 93 93 SER HB2 H 1 4.283 . . . . . . . . . . . 6508 1
983 . 1 1 93 93 SER HB3 H 1 4.206 . . . . . . . . . . . 6508 1
984 . 1 1 93 93 SER CA C 13 58.276 . . . . . . . . . . . 6508 1
985 . 1 1 93 93 SER CB C 13 66.240 . . . . . . . . . . . 6508 1
986 . 1 1 93 93 SER N N 15 115.496 . . . . . . . . . . . 6508 1
987 . 1 1 94 94 GLU H H 1 9.149 . . . . . . . . . . . 6508 1
988 . 1 1 94 94 GLU HA H 1 4.235 . . . . . . . . . . . 6508 1
989 . 1 1 94 94 GLU HB2 H 1 2.138 . . . . . . . . . . . 6508 1
990 . 1 1 94 94 GLU HB3 H 1 2.034 . . . . . . . . . . . 6508 1
991 . 1 1 94 94 GLU HG2 H 1 2.248 . . . . . . . . . . . 6508 1
992 . 1 1 94 94 GLU CA C 13 59.082 . . . . . . . . . . . 6508 1
993 . 1 1 94 94 GLU CB C 13 28.658 . . . . . . . . . . . 6508 1
994 . 1 1 94 94 GLU CG C 13 36.060 . . . . . . . . . . . 6508 1
995 . 1 1 94 94 GLU N N 15 123.005 . . . . . . . . . . . 6508 1
996 . 1 1 95 95 TYR H H 1 6.653 . . . . . . . . . . . 6508 1
997 . 1 1 95 95 TYR HA H 1 3.596 . . . . . . . . . . . 6508 1
998 . 1 1 95 95 TYR HB2 H 1 2.903 . . . . . . . . . . . 6508 1
999 . 1 1 95 95 TYR HB3 H 1 2.443 . . . . . . . . . . . 6508 1
1000 . 1 1 95 95 TYR HD1 H 1 6.519 . . . . . . . . . . . 6508 1
1001 . 1 1 95 95 TYR HD2 H 1 6.868 . . . . . . . . . . . 6508 1
1002 . 1 1 95 95 TYR HE1 H 1 6.595 . . . . . . . . . . . 6508 1
1003 . 1 1 95 95 TYR CA C 13 60.018 . . . . . . . . . . . 6508 1
1004 . 1 1 95 95 TYR CB C 13 38.863 . . . . . . . . . . . 6508 1
1005 . 1 1 95 95 TYR CD1 C 13 130.812 . . . . . . . . . . . 6508 1
1006 . 1 1 95 95 TYR CE1 C 13 118.389 . . . . . . . . . . . 6508 1
1007 . 1 1 95 95 TYR N N 15 113.896 . . . . . . . . . . . 6508 1
1008 . 1 1 96 96 TYR H H 1 7.336 . . . . . . . . . . . 6508 1
1009 . 1 1 96 96 TYR HA H 1 3.806 . . . . . . . . . . . 6508 1
1010 . 1 1 96 96 TYR HB2 H 1 3.414 . . . . . . . . . . . 6508 1
1011 . 1 1 96 96 TYR HB3 H 1 2.542 . . . . . . . . . . . 6508 1
1012 . 1 1 96 96 TYR HD1 H 1 7.097 . . . . . . . . . . . 6508 1
1013 . 1 1 96 96 TYR HE1 H 1 7.028 . . . . . . . . . . . 6508 1
1014 . 1 1 96 96 TYR CA C 13 61.597 . . . . . . . . . . . 6508 1
1015 . 1 1 96 96 TYR CB C 13 40.107 . . . . . . . . . . . 6508 1
1016 . 1 1 96 96 TYR CD1 C 13 134.953 . . . . . . . . . . . 6508 1
1017 . 1 1 96 96 TYR CE1 C 13 117.975 . . . . . . . . . . . 6508 1
1018 . 1 1 96 96 TYR N N 15 119.454 . . . . . . . . . . . 6508 1
1019 . 1 1 97 97 LYS H H 1 7.893 . . . . . . . . . . . 6508 1
1020 . 1 1 97 97 LYS HA H 1 4.205 . . . . . . . . . . . 6508 1
1021 . 1 1 97 97 LYS HB2 H 1 2.067 . . . . . . . . . . . 6508 1
1022 . 1 1 97 97 LYS HG2 H 1 1.831 . . . . . . . . . . . 6508 1
1023 . 1 1 97 97 LYS HG3 H 1 1.551 . . . . . . . . . . . 6508 1
1024 . 1 1 97 97 LYS HD2 H 1 1.771 . . . . . . . . . . . 6508 1
1025 . 1 1 97 97 LYS HE2 H 1 3.006 . . . . . . . . . . . 6508 1
1026 . 1 1 97 97 LYS CA C 13 60.516 . . . . . . . . . . . 6508 1
1027 . 1 1 97 97 LYS CB C 13 32.392 . . . . . . . . . . . 6508 1
1028 . 1 1 97 97 LYS CG C 13 25.672 . . . . . . . . . . . 6508 1
1029 . 1 1 97 97 LYS CD C 13 29.653 . . . . . . . . . . . 6508 1
1030 . 1 1 97 97 LYS CE C 13 41.866 . . . . . . . . . . . 6508 1
1031 . 1 1 97 97 LYS N N 15 117.756 . . . . . . . . . . . 6508 1
1032 . 1 1 98 98 CYS H H 1 8.452 . . . . . . . . . . . 6508 1
1033 . 1 1 98 98 CYS HA H 1 4.201 . . . . . . . . . . . 6508 1
1034 . 1 1 98 98 CYS HB2 H 1 3.425 . . . . . . . . . . . 6508 1
1035 . 1 1 98 98 CYS HB3 H 1 3.069 . . . . . . . . . . . 6508 1
1036 . 1 1 98 98 CYS CA C 13 64.996 . . . . . . . . . . . 6508 1
1037 . 1 1 98 98 CYS CB C 13 26.655 . . . . . . . . . . . 6508 1
1038 . 1 1 98 98 CYS N N 15 116.521 . . . . . . . . . . . 6508 1
1039 . 1 1 99 99 ALA H H 1 8.208 . . . . . . . . . . . 6508 1
1040 . 1 1 99 99 ALA HA H 1 3.931 . . . . . . . . . . . 6508 1
1041 . 1 1 99 99 ALA HB1 H 1 1.657 . . . . . . . . . . . 6508 1
1042 . 1 1 99 99 ALA HB2 H 1 1.657 . . . . . . . . . . . 6508 1
1043 . 1 1 99 99 ALA HB3 H 1 1.657 . . . . . . . . . . . 6508 1
1044 . 1 1 99 99 ALA CA C 13 55.289 . . . . . . . . . . . 6508 1
1045 . 1 1 99 99 ALA CB C 13 18.323 . . . . . . . . . . . 6508 1
1046 . 1 1 99 99 ALA N N 15 120.380 . . . . . . . . . . . 6508 1
1047 . 1 1 100 100 ASN H H 1 8.092 . . . . . . . . . . . 6508 1
1048 . 1 1 100 100 ASN HA H 1 4.375 . . . . . . . . . . . 6508 1
1049 . 1 1 100 100 ASN HB2 H 1 2.920 . . . . . . . . . . . 6508 1
1050 . 1 1 100 100 ASN HB3 H 1 2.894 . . . . . . . . . . . 6508 1
1051 . 1 1 100 100 ASN CA C 13 56.036 . . . . . . . . . . . 6508 1
1052 . 1 1 100 100 ASN CB C 13 38.863 . . . . . . . . . . . 6508 1
1053 . 1 1 100 100 ASN N N 15 115.440 . . . . . . . . . . . 6508 1
1054 . 1 1 101 101 ILE H H 1 7.936 . . . . . . . . . . . 6508 1
1055 . 1 1 101 101 ILE HA H 1 3.688 . . . . . . . . . . . 6508 1
1056 . 1 1 101 101 ILE HB H 1 1.939 . . . . . . . . . . . 6508 1
1057 . 1 1 101 101 ILE HG12 H 1 1.871 . . . . . . . . . . . 6508 1
1058 . 1 1 101 101 ILE HG13 H 1 1.213 . . . . . . . . . . . 6508 1
1059 . 1 1 101 101 ILE HG21 H 1 1.020 . . . . . . . . . . . 6508 1
1060 . 1 1 101 101 ILE HG22 H 1 1.020 . . . . . . . . . . . 6508 1
1061 . 1 1 101 101 ILE HG23 H 1 1.020 . . . . . . . . . . . 6508 1
1062 . 1 1 101 101 ILE HD11 H 1 0.981 . . . . . . . . . . . 6508 1
1063 . 1 1 101 101 ILE HD12 H 1 0.981 . . . . . . . . . . . 6508 1
1064 . 1 1 101 101 ILE HD13 H 1 0.981 . . . . . . . . . . . 6508 1
1065 . 1 1 101 101 ILE CA C 13 64.747 . . . . . . . . . . . 6508 1
1066 . 1 1 101 101 ILE CB C 13 38.862 . . . . . . . . . . . 6508 1
1067 . 1 1 101 101 ILE CG1 C 13 29.404 . . . . . . . . . . . 6508 1
1068 . 1 1 101 101 ILE CG2 C 13 17.706 . . . . . . . . . . . 6508 1
1069 . 1 1 101 101 ILE CD1 C 13 13.475 . . . . . . . . . . . 6508 1
1070 . 1 1 101 101 ILE N N 15 120.072 . . . . . . . . . . . 6508 1
1071 . 1 1 102 102 LEU H H 1 8.543 . . . . . . . . . . . 6508 1
1072 . 1 1 102 102 LEU HA H 1 3.722 . . . . . . . . . . . 6508 1
1073 . 1 1 102 102 LEU HB2 H 1 1.492 . . . . . . . . . . . 6508 1
1074 . 1 1 102 102 LEU HB3 H 1 1.289 . . . . . . . . . . . 6508 1
1075 . 1 1 102 102 LEU HG H 1 1.625 . . . . . . . . . . . 6508 1
1076 . 1 1 102 102 LEU HD11 H 1 0.788 . . . . . . . . . . . 6508 1
1077 . 1 1 102 102 LEU HD12 H 1 0.788 . . . . . . . . . . . 6508 1
1078 . 1 1 102 102 LEU HD13 H 1 0.788 . . . . . . . . . . . 6508 1
1079 . 1 1 102 102 LEU HD21 H 1 0.791 . . . . . . . . . . . 6508 1
1080 . 1 1 102 102 LEU HD22 H 1 0.791 . . . . . . . . . . . 6508 1
1081 . 1 1 102 102 LEU HD23 H 1 0.791 . . . . . . . . . . . 6508 1
1082 . 1 1 102 102 LEU CA C 13 56.534 . . . . . . . . . . . 6508 1
1083 . 1 1 102 102 LEU CB C 13 41.600 . . . . . . . . . . . 6508 1
1084 . 1 1 102 102 LEU CG C 13 26.666 . . . . . . . . . . . 6508 1
1085 . 1 1 102 102 LEU CD1 C 13 25.173 . . . . . . . . . . . 6508 1
1086 . 1 1 102 102 LEU CD2 C 13 24.188 . . . . . . . . . . . 6508 1
1087 . 1 1 102 102 LEU N N 15 122.542 . . . . . . . . . . . 6508 1
1088 . 1 1 103 103 GLU H H 1 8.092 . . . . . . . . . . . 6508 1
1089 . 1 1 103 103 GLU HA H 1 3.225 . . . . . . . . . . . 6508 1
1090 . 1 1 103 103 GLU HB2 H 1 1.775 . . . . . . . . . . . 6508 1
1091 . 1 1 103 103 GLU HB3 H 1 1.339 . . . . . . . . . . . 6508 1
1092 . 1 1 103 103 GLU HG2 H 1 2.040 . . . . . . . . . . . 6508 1
1093 . 1 1 103 103 GLU HG3 H 1 1.971 . . . . . . . . . . . 6508 1
1094 . 1 1 103 103 GLU CA C 13 59.520 . . . . . . . . . . . 6508 1
1095 . 1 1 103 103 GLU CB C 13 29.816 . . . . . . . . . . . 6508 1
1096 . 1 1 103 103 GLU CG C 13 37.120 . . . . . . . . . . . 6508 1
1097 . 1 1 103 103 GLU N N 15 120.844 . . . . . . . . . . . 6508 1
1098 . 1 1 104 104 LYS H H 1 7.195 . . . . . . . . . . . 6508 1
1099 . 1 1 104 104 LYS HA H 1 4.109 . . . . . . . . . . . 6508 1
1100 . 1 1 104 104 LYS HB2 H 1 1.981 . . . . . . . . . . . 6508 1
1101 . 1 1 104 104 LYS HG2 H 1 1.538 . . . . . . . . . . . 6508 1
1102 . 1 1 104 104 LYS HG3 H 1 1.439 . . . . . . . . . . . 6508 1
1103 . 1 1 104 104 LYS HD2 H 1 1.748 . . . . . . . . . . . 6508 1
1104 . 1 1 104 104 LYS HE2 H 1 3.011 . . . . . . . . . . . 6508 1
1105 . 1 1 104 104 LYS CA C 13 59.520 . . . . . . . . . . . 6508 1
1106 . 1 1 104 104 LYS CB C 13 32.143 . . . . . . . . . . . 6508 1
1107 . 1 1 104 104 LYS CG C 13 25.174 . . . . . . . . . . . 6508 1
1108 . 1 1 104 104 LYS CD C 13 29.053 . . . . . . . . . . . 6508 1
1109 . 1 1 104 104 LYS CE C 13 41.855 . . . . . . . . . . . 6508 1
1110 . 1 1 104 104 LYS N N 15 117.601 . . . . . . . . . . . 6508 1
1111 . 1 1 105 105 PHE H H 1 7.901 . . . . . . . . . . . 6508 1
1112 . 1 1 105 105 PHE HA H 1 4.354 . . . . . . . . . . . 6508 1
1113 . 1 1 105 105 PHE HB2 H 1 3.159 . . . . . . . . . . . 6508 1
1114 . 1 1 105 105 PHE HB3 H 1 3.104 . . . . . . . . . . . 6508 1
1115 . 1 1 105 105 PHE HD1 H 1 7.218 . . . . . . . . . . . 6508 1
1116 . 1 1 105 105 PHE HE1 H 1 7.345 . . . . . . . . . . . 6508 1
1117 . 1 1 105 105 PHE HZ H 1 7.473 . . . . . . . . . . . 6508 1
1118 . 1 1 105 105 PHE CA C 13 61.431 . . . . . . . . . . . 6508 1
1119 . 1 1 105 105 PHE CB C 13 39.112 . . . . . . . . . . . 6508 1
1120 . 1 1 105 105 PHE CD1 C 13 131.976 . . . . . . . . . . . 6508 1
1121 . 1 1 105 105 PHE N N 15 121.152 . . . . . . . . . . . 6508 1
1122 . 1 1 106 106 PHE H H 1 9.159 . . . . . . . . . . . 6508 1
1123 . 1 1 106 106 PHE HA H 1 4.006 . . . . . . . . . . . 6508 1
1124 . 1 1 106 106 PHE HB2 H 1 3.342 . . . . . . . . . . . 6508 1
1125 . 1 1 106 106 PHE HB3 H 1 3.140 . . . . . . . . . . . 6508 1
1126 . 1 1 106 106 PHE HD1 H 1 6.952 . . . . . . . . . . . 6508 1
1127 . 1 1 106 106 PHE HE1 H 1 7.066 . . . . . . . . . . . 6508 1
1128 . 1 1 106 106 PHE HZ H 1 7.331 . . . . . . . . . . . 6508 1
1129 . 1 1 106 106 PHE CA C 13 60.516 . . . . . . . . . . . 6508 1
1130 . 1 1 106 106 PHE CB C 13 38.614 . . . . . . . . . . . 6508 1
1131 . 1 1 106 106 PHE CD1 C 13 132.273 . . . . . . . . . . . 6508 1
1132 . 1 1 106 106 PHE CE1 C 13 131.138 . . . . . . . . . . . 6508 1
1133 . 1 1 106 106 PHE CZ C 13 131.433 . . . . . . . . . . . 6508 1
1134 . 1 1 106 106 PHE N N 15 120.680 . . . . . . . . . . . 6508 1
1135 . 1 1 107 107 PHE H H 1 8.386 . . . . . . . . . . . 6508 1
1136 . 1 1 107 107 PHE HA H 1 3.862 . . . . . . . . . . . 6508 1
1137 . 1 1 107 107 PHE HB2 H 1 3.090 . . . . . . . . . . . 6508 1
1138 . 1 1 107 107 PHE HD1 H 1 7.225 . . . . . . . . . . . 6508 1
1139 . 1 1 107 107 PHE HE1 H 1 7.370 . . . . . . . . . . . 6508 1
1140 . 1 1 107 107 PHE HZ H 1 7.473 . . . . . . . . . . . 6508 1
1141 . 1 1 107 107 PHE CA C 13 61.511 . . . . . . . . . . . 6508 1
1142 . 1 1 107 107 PHE CB C 13 37.867 . . . . . . . . . . . 6508 1
1143 . 1 1 107 107 PHE CD1 C 13 131.405 . . . . . . . . . . . 6508 1
1144 . 1 1 107 107 PHE CE1 C 13 131.226 . . . . . . . . . . . 6508 1
1145 . 1 1 107 107 PHE CZ C 13 130.191 . . . . . . . . . . . 6508 1
1146 . 1 1 107 107 PHE N N 15 118.064 . . . . . . . . . . . 6508 1
1147 . 1 1 108 108 SER H H 1 7.911 . . . . . . . . . . . 6508 1
1148 . 1 1 108 108 SER HA H 1 4.238 . . . . . . . . . . . 6508 1
1149 . 1 1 108 108 SER HB2 H 1 4.026 . . . . . . . . . . . 6508 1
1150 . 1 1 108 108 SER CA C 13 61.511 . . . . . . . . . . . 6508 1
1151 . 1 1 108 108 SER CB C 13 62.591 . . . . . . . . . . . 6508 1
1152 . 1 1 108 108 SER N N 15 114.822 . . . . . . . . . . . 6508 1
1153 . 1 1 109 109 LYS H H 1 7.999 . . . . . . . . . . . 6508 1
1154 . 1 1 109 109 LYS HA H 1 4.061 . . . . . . . . . . . 6508 1
1155 . 1 1 109 109 LYS HB2 H 1 1.768 . . . . . . . . . . . 6508 1
1156 . 1 1 109 109 LYS HB3 H 1 1.575 . . . . . . . . . . . 6508 1
1157 . 1 1 109 109 LYS HG2 H 1 0.842 . . . . . . . . . . . 6508 1
1158 . 1 1 109 109 LYS HD2 H 1 1.413 . . . . . . . . . . . 6508 1
1159 . 1 1 109 109 LYS HE2 H 1 2.615 . . . . . . . . . . . 6508 1
1160 . 1 1 109 109 LYS HE3 H 1 2.478 . . . . . . . . . . . 6508 1
1161 . 1 1 109 109 LYS CA C 13 56.783 . . . . . . . . . . . 6508 1
1162 . 1 1 109 109 LYS CB C 13 31.396 . . . . . . . . . . . 6508 1
1163 . 1 1 109 109 LYS CG C 13 23.020 . . . . . . . . . . . 6508 1
1164 . 1 1 109 109 LYS CD C 13 27.005 . . . . . . . . . . . 6508 1
1165 . 1 1 109 109 LYS CE C 13 42.098 . . . . . . . . . . . 6508 1
1166 . 1 1 109 109 LYS N N 15 120.998 . . . . . . . . . . . 6508 1
1167 . 1 1 110 110 ILE H H 1 8.109 . . . . . . . . . . . 6508 1
1168 . 1 1 110 110 ILE HA H 1 3.852 . . . . . . . . . . . 6508 1
1169 . 1 1 110 110 ILE HB H 1 1.782 . . . . . . . . . . . 6508 1
1170 . 1 1 110 110 ILE HG12 H 1 1.167 . . . . . . . . . . . 6508 1
1171 . 1 1 110 110 ILE HG13 H 1 1.088 . . . . . . . . . . . 6508 1
1172 . 1 1 110 110 ILE HG21 H 1 0.680 . . . . . . . . . . . 6508 1
1173 . 1 1 110 110 ILE HG22 H 1 0.680 . . . . . . . . . . . 6508 1
1174 . 1 1 110 110 ILE HG23 H 1 0.680 . . . . . . . . . . . 6508 1
1175 . 1 1 110 110 ILE HD11 H 1 0.548 . . . . . . . . . . . 6508 1
1176 . 1 1 110 110 ILE HD12 H 1 0.548 . . . . . . . . . . . 6508 1
1177 . 1 1 110 110 ILE HD13 H 1 0.548 . . . . . . . . . . . 6508 1
1178 . 1 1 110 110 ILE CA C 13 64.249 . . . . . . . . . . . 6508 1
1179 . 1 1 110 110 ILE CB C 13 37.120 . . . . . . . . . . . 6508 1
1180 . 1 1 110 110 ILE CG1 C 13 26.418 . . . . . . . . . . . 6508 1
1181 . 1 1 110 110 ILE CG2 C 13 18.703 . . . . . . . . . . . 6508 1
1182 . 1 1 110 110 ILE CD1 C 13 13.227 . . . . . . . . . . . 6508 1
1183 . 1 1 110 110 ILE N N 15 116.984 . . . . . . . . . . . 6508 1
1184 . 1 1 111 111 LYS H H 1 7.567 . . . . . . . . . . . 6508 1
1185 . 1 1 111 111 LYS HA H 1 4.067 . . . . . . . . . . . 6508 1
1186 . 1 1 111 111 LYS HB2 H 1 1.916 . . . . . . . . . . . 6508 1
1187 . 1 1 111 111 LYS HB3 H 1 1.794 . . . . . . . . . . . 6508 1
1188 . 1 1 111 111 LYS HG2 H 1 1.444 . . . . . . . . . . . 6508 1
1189 . 1 1 111 111 LYS HG3 H 1 1.343 . . . . . . . . . . . 6508 1
1190 . 1 1 111 111 LYS HD2 H 1 1.665 . . . . . . . . . . . 6508 1
1191 . 1 1 111 111 LYS HE2 H 1 2.948 . . . . . . . . . . . 6508 1
1192 . 1 1 111 111 LYS CA C 13 59.520 . . . . . . . . . . . 6508 1
1193 . 1 1 111 111 LYS CB C 13 32.640 . . . . . . . . . . . 6508 1
1194 . 1 1 111 111 LYS CG C 13 25.173 . . . . . . . . . . . 6508 1
1195 . 1 1 111 111 LYS CD C 13 29.409 . . . . . . . . . . . 6508 1
1196 . 1 1 111 111 LYS CE C 13 41.351 . . . . . . . . . . . 6508 1
1197 . 1 1 111 111 LYS N N 15 122.387 . . . . . . . . . . . 6508 1
1198 . 1 1 112 112 GLU H H 1 8.069 . . . . . . . . . . . 6508 1
1199 . 1 1 112 112 GLU HA H 1 4.011 . . . . . . . . . . . 6508 1
1200 . 1 1 112 112 GLU HB2 H 1 2.095 . . . . . . . . . . . 6508 1
1201 . 1 1 112 112 GLU HG2 H 1 2.405 . . . . . . . . . . . 6508 1
1202 . 1 1 112 112 GLU HG3 H 1 2.235 . . . . . . . . . . . 6508 1
1203 . 1 1 112 112 GLU CA C 13 58.525 . . . . . . . . . . . 6508 1
1204 . 1 1 112 112 GLU CB C 13 30.077 . . . . . . . . . . . 6508 1
1205 . 1 1 112 112 GLU CG C 13 35.876 . . . . . . . . . . . 6508 1
1206 . 1 1 112 112 GLU N N 15 121.152 . . . . . . . . . . . 6508 1
1207 . 1 1 113 113 ALA H H 1 7.620 . . . . . . . . . . . 6508 1
1208 . 1 1 113 113 ALA HA H 1 4.316 . . . . . . . . . . . 6508 1
1209 . 1 1 113 113 ALA HB1 H 1 1.396 . . . . . . . . . . . 6508 1
1210 . 1 1 113 113 ALA HB2 H 1 1.396 . . . . . . . . . . . 6508 1
1211 . 1 1 113 113 ALA HB3 H 1 1.396 . . . . . . . . . . . 6508 1
1212 . 1 1 113 113 ALA CA C 13 52.302 . . . . . . . . . . . 6508 1
1213 . 1 1 113 113 ALA CB C 13 19.449 . . . . . . . . . . . 6508 1
1214 . 1 1 113 113 ALA N N 15 117.910 . . . . . . . . . . . 6508 1
1215 . 1 1 114 114 GLY H H 1 7.761 . . . . . . . . . . . 6508 1
1216 . 1 1 114 114 GLY HA2 H 1 4.325 . . . . . . . . . . . 6508 1
1217 . 1 1 114 114 GLY HA3 H 1 4.094 . . . . . . . . . . . 6508 1
1218 . 1 1 114 114 GLY CA C 13 46.021 . . . . . . . . . . . 6508 1
1219 . 1 1 114 114 GLY N N 15 126.093 . . . . . . . . . . . 6508 1
1220 . 1 1 115 115 LEU H H 1 7.740 . . . . . . . . . . . 6508 1
1221 . 1 1 115 115 LEU HA H 1 4.234 . . . . . . . . . . . 6508 1
1222 . 1 1 115 115 LEU HB2 H 1 1.620 . . . . . . . . . . . 6508 1
1223 . 1 1 115 115 LEU HB3 H 1 1.607 . . . . . . . . . . . 6508 1
1224 . 1 1 115 115 LEU HG H 1 1.553 . . . . . . . . . . . 6508 1
1225 . 1 1 115 115 LEU HD11 H 1 0.741 . . . . . . . . . . . 6508 1
1226 . 1 1 115 115 LEU HD12 H 1 0.741 . . . . . . . . . . . 6508 1
1227 . 1 1 115 115 LEU HD13 H 1 0.741 . . . . . . . . . . . 6508 1
1228 . 1 1 115 115 LEU HD21 H 1 0.768 . . . . . . . . . . . 6508 1
1229 . 1 1 115 115 LEU HD22 H 1 0.768 . . . . . . . . . . . 6508 1
1230 . 1 1 115 115 LEU HD23 H 1 0.768 . . . . . . . . . . . 6508 1
1231 . 1 1 115 115 LEU CA C 13 55.538 . . . . . . . . . . . 6508 1
1232 . 1 1 115 115 LEU CB C 13 42.845 . . . . . . . . . . . 6508 1
1233 . 1 1 115 115 LEU CG C 13 27.077 . . . . . . . . . . . 6508 1
1234 . 1 1 115 115 LEU CD1 C 13 25.485 . . . . . . . . . . . 6508 1
1235 . 1 1 115 115 LEU CD2 C 13 23.302 . . . . . . . . . . . 6508 1
1236 . 1 1 115 115 LEU N N 15 117.910 . . . . . . . . . . . 6508 1
1237 . 1 1 116 116 ILE H H 1 7.483 . . . . . . . . . . . 6508 1
1238 . 1 1 116 116 ILE HA H 1 4.262 . . . . . . . . . . . 6508 1
1239 . 1 1 116 116 ILE HB H 1 1.841 . . . . . . . . . . . 6508 1
1240 . 1 1 116 116 ILE HG12 H 1 1.332 . . . . . . . . . . . 6508 1
1241 . 1 1 116 116 ILE HG13 H 1 0.959 . . . . . . . . . . . 6508 1
1242 . 1 1 116 116 ILE HG21 H 1 0.842 . . . . . . . . . . . 6508 1
1243 . 1 1 116 116 ILE HG22 H 1 0.842 . . . . . . . . . . . 6508 1
1244 . 1 1 116 116 ILE HG23 H 1 0.842 . . . . . . . . . . . 6508 1
1245 . 1 1 116 116 ILE HD11 H 1 0.811 . . . . . . . . . . . 6508 1
1246 . 1 1 116 116 ILE HD12 H 1 0.811 . . . . . . . . . . . 6508 1
1247 . 1 1 116 116 ILE HD13 H 1 0.811 . . . . . . . . . . . 6508 1
1248 . 1 1 116 116 ILE CA C 13 60.018 . . . . . . . . . . . 6508 1
1249 . 1 1 116 116 ILE CB C 13 39.609 . . . . . . . . . . . 6508 1
1250 . 1 1 116 116 ILE CG1 C 13 26.916 . . . . . . . . . . . 6508 1
1251 . 1 1 116 116 ILE CG2 C 13 17.707 . . . . . . . . . . . 6508 1
1252 . 1 1 116 116 ILE CD1 C 13 13.193 . . . . . . . . . . . 6508 1
1253 . 1 1 116 116 ILE N N 15 115.440 . . . . . . . . . . . 6508 1
1254 . 1 1 117 117 ASP H H 1 8.321 . . . . . . . . . . . 6508 1
1255 . 1 1 117 117 ASP HA H 1 4.588 . . . . . . . . . . . 6508 1
1256 . 1 1 117 117 ASP HB2 H 1 2.728 . . . . . . . . . . . 6508 1
1257 . 1 1 117 117 ASP HB3 H 1 2.571 . . . . . . . . . . . 6508 1
1258 . 1 1 117 117 ASP CA C 13 54.543 . . . . . . . . . . . 6508 1
1259 . 1 1 117 117 ASP CB C 13 41.387 . . . . . . . . . . . 6508 1
1260 . 1 1 117 117 ASP N N 15 123.623 . . . . . . . . . . . 6508 1
1261 . 1 1 118 118 LYS H H 1 7.765 . . . . . . . . . . . 6508 1
1262 . 1 1 118 118 LYS HA H 1 4.070 . . . . . . . . . . . 6508 1
1263 . 1 1 118 118 LYS HB2 H 1 1.813 . . . . . . . . . . . 6508 1
1264 . 1 1 118 118 LYS HB3 H 1 1.690 . . . . . . . . . . . 6508 1
1265 . 1 1 118 118 LYS HG2 H 1 1.410 . . . . . . . . . . . 6508 1
1266 . 1 1 118 118 LYS HD2 H 1 1.672 . . . . . . . . . . . 6508 1
1267 . 1 1 118 118 LYS HE2 H 1 2.997 . . . . . . . . . . . 6508 1
1268 . 1 1 118 118 LYS CA C 13 57.883 . . . . . . . . . . . 6508 1
1269 . 1 1 118 118 LYS CB C 13 33.670 . . . . . . . . . . . 6508 1
1270 . 1 1 118 118 LYS CG C 13 24.639 . . . . . . . . . . . 6508 1
1271 . 1 1 118 118 LYS CD C 13 29.653 . . . . . . . . . . . 6508 1
1272 . 1 1 118 118 LYS CE C 13 40.506 . . . . . . . . . . . 6508 1
1273 . 1 1 118 118 LYS N N 15 125.475 . . . . . . . . . . . 6508 1
stop_
save_
save_chemical_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2
_Assigned_chem_shift_list.Entry_ID 6508
_Assigned_chem_shift_list.ID 2
_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_ref_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_1 . 6508 2
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 . 3 3 1 1 NP1 HA1 H 1 3.123 . . . . . . . . . . . 6508 2
2 . 3 3 1 1 NP1 HA2 H 1 3.123 . . . . . . . . . . . 6508 2
3 . 3 3 1 1 NP1 HB1 H 1 2.083 . . . . . . . . . . . 6508 2
4 . 3 3 1 1 NP1 HB2 H 1 2.083 . . . . . . . . . . . 6508 2
5 . 3 3 1 1 NP1 HG1 H 1 3.577 . . . . . . . . . . . 6508 2
6 . 3 3 1 1 NP1 HG2 H 1 3.577 . . . . . . . . . . . 6508 2
7 . 3 3 1 1 NP1 HE1 H 1 6.988 . . . . . . . . . . . 6508 2
stop_
save_