data_15775
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15775
_Entry.Title
;
Backbone chemical shift assignment for the transmembrane and C-terminal domains of amyloid precursor protein (APP C99)
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2008-05-15
_Entry.Accession_date 2008-05-15
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.8.116
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Charles Sanders . R. . 15775
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 15775
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 284 15775
'15N chemical shifts' 99 15775
'1H chemical shifts' 99 15775
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
2 . . 2009-02-24 2008-05-15 update BMRB 'complete entry citation' 15775
1 . . 2008-08-19 2008-05-15 original author 'original release' 15775
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2LP1 'BMRB Entry Tracking System' 15775
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 15775
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 18702528
_Citation.Full_citation .
_Citation.Title 'Structural Studies of the Transmembrane C-Terminal Domain of the Amyloid Precursor Protein (APP): Does APP Function as a Cholesterol Sensor?'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev Biochemistry
_Citation.Journal_name_full .
_Citation.Journal_volume 47
_Citation.Journal_issue 36
_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 9428
_Citation.Page_last 9446
_Citation.Year 2008
_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 Andrew Beel . J. . 15775 1
2 Charles Mobley . K. . 15775 1
3 Hak Kim . J. . 15775 1
4 Fang Tian . . . 15775 1
5 Arina Hadziselimovic . . . 15775 1
6 Bing Jap . . . 15775 1
7 James Prestegard . H . 15775 1
8 Charles Sanders . R. . 15775 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 15775
_Assembly.ID 1
_Assembly.Name 'The transmembrane C-terminal domain of the Amyloid Precursor Protein'
_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 .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'APP C99' 1 $APP_C99 A . yes native no no . . . 15775 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_APP_C99
_Entity.Sf_category entity
_Entity.Sf_framecode APP_C99
_Entity.Entry_ID 15775
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name APP_C99
_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
;
MDAEFRHDSGYEVHHQKLVF
FAEDVGSNKGAIIGLMVGGV
VIATVIVITLVMLKKKQYTS
IHHGVVEVDAAVTPEERHLS
KMQQNGYENPTYKFFEQMQN
QGRILQISITLAAALEHHHH
HH
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details
;
Residues 101 to 122 represent a non-native tag; The N-terminal Met residues
corresponds to site 671 in the amyloid precursor protein (APP); Asn100
represents the C-terminal residues 770 of the full length APP
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 122
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment 'The transmembrane C-terminal domain of the human Amyloid Precursor Protein (APP residues 672-770)'
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-26
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2LP1 . "The Solution Nmr Structure Of The Transmembrane C-Terminal Domain Of The Amyloid Precursor Protein (C99)" . . . . . 100.00 122 100.00 100.00 4.83e-82 . . . . 15775 1
2 no DBJ BAA22264 . "amyloid precursor protein [Homo sapiens]" . . . . . 81.97 770 100.00 100.00 2.82e-59 . . . . 15775 1
3 no DBJ BAA84580 . "amyloid precursor protein [Sus scrofa]" . . . . . 81.97 770 100.00 100.00 8.93e-59 . . . . 15775 1
4 no DBJ BAC34997 . "unnamed protein product [Mus musculus]" . . . . . 81.97 218 97.00 98.00 1.21e-62 . . . . 15775 1
5 no DBJ BAC36369 . "unnamed protein product [Mus musculus]" . . . . . 81.97 384 97.00 98.00 6.10e-61 . . . . 15775 1
6 no DBJ BAE01907 . "unnamed protein product [Macaca fascicularis]" . . . . . 81.97 751 100.00 100.00 3.74e-59 . . . . 15775 1
7 no EMBL CAA30050 . "amyloid A4 protein [Homo sapiens]" . . . . . 81.97 751 100.00 100.00 3.74e-59 . . . . 15775 1
8 no EMBL CAA30488 . "unnamed protein product [Rattus rattus]" . . . . . 81.97 695 97.00 98.00 6.60e-59 . . . . 15775 1
9 no EMBL CAA31830 . "A4 amyloid protein precursor [Homo sapiens]" . . . . . 81.97 695 100.00 100.00 8.86e-62 . . . . 15775 1
10 no EMBL CAA66230 . "putative amyloid precursor protein [Cavia sp.]" . . . . . 81.97 695 100.00 100.00 8.86e-62 . . . . 15775 1
11 no EMBL CAA68374 . "unnamed protein product [Homo sapiens]" . . . . . 81.97 695 100.00 100.00 7.91e-62 . . . . 15775 1
12 no GB AAA35540 . "amyloid protein, partial [Homo sapiens]" . . . . . 79.51 97 98.97 98.97 6.60e-62 . . . . 15775 1
13 no GB AAA36829 . "amyloid b-protein precursor [Macaca fascicularis]" . . . . . 81.97 695 100.00 100.00 7.91e-62 . . . . 15775 1
14 no GB AAA37139 . "beta-amyloid protein [Mus musculus]" . . . . . 81.97 695 97.00 98.00 6.02e-59 . . . . 15775 1
15 no GB AAA51722 . "amyloid beta-protein precursor, partial [Homo sapiens]" . . . . . 81.97 412 100.00 100.00 5.78e-64 . . . . 15775 1
16 no GB AAA51726 . "beta-amyloid A4, partial [Homo sapiens]" . . . . . 81.97 264 100.00 100.00 8.23e-65 . . . . 15775 1
17 no PIR PQ0438 . "Alzheimer's disease amyloid A4 protein precursor - rabbit (fragment)" . . . . . 54.92 82 100.00 100.00 5.83e-38 . . . . 15775 1
18 no PRF 1303338A . "amyloid A4 protein precursor" . . . . . 81.97 695 100.00 100.00 7.91e-62 . . . . 15775 1
19 no PRF 1403400A . "amyloid protein A4" . . . . . 81.97 751 100.00 100.00 3.74e-59 . . . . 15775 1
20 no PRF 1507304A . "beta amyloid peptide precursor" . . . . . 81.97 412 100.00 100.00 5.54e-64 . . . . 15775 1
21 no PRF 1507304B . "beta amyloid peptide precursor" . . . . . 81.97 574 100.00 100.00 9.99e-63 . . . . 15775 1
22 no PRF 1507304C . "beta amyloid peptide precursor" . . . . . 81.97 165 100.00 100.00 1.70e-65 . . . . 15775 1
23 no REF NP_000475 . "amyloid beta A4 protein isoform a precursor [Homo sapiens]" . . . . . 81.97 770 100.00 100.00 2.82e-59 . . . . 15775 1
24 no REF NP_001006601 . "amyloid beta A4 protein isoform APP-770 precursor [Canis lupus familiaris]" . . . . . 81.97 770 100.00 100.00 4.68e-59 . . . . 15775 1
25 no REF NP_001013036 . "amyloid beta A4 protein precursor [Pan troglodytes]" . . . . . 81.97 770 100.00 100.00 3.17e-59 . . . . 15775 1
26 no REF NP_001070264 . "amyloid beta A4 protein precursor [Bos taurus]" . . . . . 81.97 695 100.00 100.00 8.24e-62 . . . . 15775 1
27 no REF NP_001127014 . "amyloid beta A4 protein precursor [Pongo abelii]" . . . . . 81.97 695 100.00 100.00 1.06e-61 . . . . 15775 1
28 no SP P05067 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; AltName: Full=APPI; Short=APP; AltName: Full=Alzheimer disease amylo" . . . . . 81.97 770 100.00 100.00 2.82e-59 . . . . 15775 1
29 no SP P08592 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 81.97 770 97.00 98.00 2.43e-56 . . . . 15775 1
30 no SP P12023 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 81.97 770 97.00 98.00 1.94e-56 . . . . 15775 1
31 no SP P53601 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 81.97 770 100.00 100.00 2.43e-59 . . . . 15775 1
32 no SP P79307 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 81.97 770 100.00 100.00 8.93e-59 . . . . 15775 1
33 no TPG DAA33655 . "TPA: amyloid beta A4 protein [Bos taurus]" . . . . . 81.97 695 100.00 100.00 8.24e-62 . . . . 15775 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
1 671 MET . 15775 1
2 672 ASP . 15775 1
3 673 ALA . 15775 1
4 674 GLU . 15775 1
5 675 PHE . 15775 1
6 676 ARG . 15775 1
7 677 HIS . 15775 1
8 678 ASP . 15775 1
9 679 SER . 15775 1
10 680 GLY . 15775 1
11 681 TYR . 15775 1
12 682 GLU . 15775 1
13 683 VAL . 15775 1
14 684 HIS . 15775 1
15 685 HIS . 15775 1
16 686 GLN . 15775 1
17 687 LYS . 15775 1
18 688 LEU . 15775 1
19 689 VAL . 15775 1
20 690 PHE . 15775 1
21 691 PHE . 15775 1
22 692 ALA . 15775 1
23 693 GLU . 15775 1
24 694 ASP . 15775 1
25 695 VAL . 15775 1
26 696 GLY . 15775 1
27 697 SER . 15775 1
28 698 ASN . 15775 1
29 699 LYS . 15775 1
30 700 GLY . 15775 1
31 701 ALA . 15775 1
32 702 ILE . 15775 1
33 703 ILE . 15775 1
34 704 GLY . 15775 1
35 705 LEU . 15775 1
36 706 MET . 15775 1
37 707 VAL . 15775 1
38 708 GLY . 15775 1
39 709 GLY . 15775 1
40 710 VAL . 15775 1
41 711 VAL . 15775 1
42 712 ILE . 15775 1
43 713 ALA . 15775 1
44 714 THR . 15775 1
45 715 VAL . 15775 1
46 716 ILE . 15775 1
47 717 VAL . 15775 1
48 718 ILE . 15775 1
49 719 THR . 15775 1
50 720 LEU . 15775 1
51 721 VAL . 15775 1
52 722 MET . 15775 1
53 723 LEU . 15775 1
54 724 LYS . 15775 1
55 725 LYS . 15775 1
56 726 LYS . 15775 1
57 727 GLN . 15775 1
58 728 TYR . 15775 1
59 729 THR . 15775 1
60 730 SER . 15775 1
61 731 ILE . 15775 1
62 732 HIS . 15775 1
63 733 HIS . 15775 1
64 734 GLY . 15775 1
65 735 VAL . 15775 1
66 736 VAL . 15775 1
67 737 GLU . 15775 1
68 738 VAL . 15775 1
69 739 ASP . 15775 1
70 740 ALA . 15775 1
71 741 ALA . 15775 1
72 742 VAL . 15775 1
73 743 THR . 15775 1
74 744 PRO . 15775 1
75 745 GLU . 15775 1
76 746 GLU . 15775 1
77 747 ARG . 15775 1
78 748 HIS . 15775 1
79 749 LEU . 15775 1
80 750 SER . 15775 1
81 751 LYS . 15775 1
82 752 MET . 15775 1
83 753 GLN . 15775 1
84 754 GLN . 15775 1
85 755 ASN . 15775 1
86 756 GLY . 15775 1
87 757 TYR . 15775 1
88 758 GLU . 15775 1
89 759 ASN . 15775 1
90 760 PRO . 15775 1
91 761 THR . 15775 1
92 762 TYR . 15775 1
93 763 LYS . 15775 1
94 764 PHE . 15775 1
95 765 PHE . 15775 1
96 766 GLU . 15775 1
97 767 GLN . 15775 1
98 768 MET . 15775 1
99 769 GLN . 15775 1
100 770 ASN . 15775 1
101 771 GLN . 15775 1
102 772 GLY . 15775 1
103 773 ARG . 15775 1
104 774 ILE . 15775 1
105 775 LEU . 15775 1
106 776 GLN . 15775 1
107 777 ILE . 15775 1
108 778 SER . 15775 1
109 779 ILE . 15775 1
110 780 THR . 15775 1
111 781 LEU . 15775 1
112 782 ALA . 15775 1
113 783 ALA . 15775 1
114 784 ALA . 15775 1
115 785 LEU . 15775 1
116 786 GLU . 15775 1
117 787 HIS . 15775 1
118 788 HIS . 15775 1
119 789 HIS . 15775 1
120 790 HIS . 15775 1
121 791 HIS . 15775 1
122 792 HIS . 15775 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
. MET 1 1 15775 1
. ASP 2 2 15775 1
. ALA 3 3 15775 1
. GLU 4 4 15775 1
. PHE 5 5 15775 1
. ARG 6 6 15775 1
. HIS 7 7 15775 1
. ASP 8 8 15775 1
. SER 9 9 15775 1
. GLY 10 10 15775 1
. TYR 11 11 15775 1
. GLU 12 12 15775 1
. VAL 13 13 15775 1
. HIS 14 14 15775 1
. HIS 15 15 15775 1
. GLN 16 16 15775 1
. LYS 17 17 15775 1
. LEU 18 18 15775 1
. VAL 19 19 15775 1
. PHE 20 20 15775 1
. PHE 21 21 15775 1
. ALA 22 22 15775 1
. GLU 23 23 15775 1
. ASP 24 24 15775 1
. VAL 25 25 15775 1
. GLY 26 26 15775 1
. SER 27 27 15775 1
. ASN 28 28 15775 1
. LYS 29 29 15775 1
. GLY 30 30 15775 1
. ALA 31 31 15775 1
. ILE 32 32 15775 1
. ILE 33 33 15775 1
. GLY 34 34 15775 1
. LEU 35 35 15775 1
. MET 36 36 15775 1
. VAL 37 37 15775 1
. GLY 38 38 15775 1
. GLY 39 39 15775 1
. VAL 40 40 15775 1
. VAL 41 41 15775 1
. ILE 42 42 15775 1
. ALA 43 43 15775 1
. THR 44 44 15775 1
. VAL 45 45 15775 1
. ILE 46 46 15775 1
. VAL 47 47 15775 1
. ILE 48 48 15775 1
. THR 49 49 15775 1
. LEU 50 50 15775 1
. VAL 51 51 15775 1
. MET 52 52 15775 1
. LEU 53 53 15775 1
. LYS 54 54 15775 1
. LYS 55 55 15775 1
. LYS 56 56 15775 1
. GLN 57 57 15775 1
. TYR 58 58 15775 1
. THR 59 59 15775 1
. SER 60 60 15775 1
. ILE 61 61 15775 1
. HIS 62 62 15775 1
. HIS 63 63 15775 1
. GLY 64 64 15775 1
. VAL 65 65 15775 1
. VAL 66 66 15775 1
. GLU 67 67 15775 1
. VAL 68 68 15775 1
. ASP 69 69 15775 1
. ALA 70 70 15775 1
. ALA 71 71 15775 1
. VAL 72 72 15775 1
. THR 73 73 15775 1
. PRO 74 74 15775 1
. GLU 75 75 15775 1
. GLU 76 76 15775 1
. ARG 77 77 15775 1
. HIS 78 78 15775 1
. LEU 79 79 15775 1
. SER 80 80 15775 1
. LYS 81 81 15775 1
. MET 82 82 15775 1
. GLN 83 83 15775 1
. GLN 84 84 15775 1
. ASN 85 85 15775 1
. GLY 86 86 15775 1
. TYR 87 87 15775 1
. GLU 88 88 15775 1
. ASN 89 89 15775 1
. PRO 90 90 15775 1
. THR 91 91 15775 1
. TYR 92 92 15775 1
. LYS 93 93 15775 1
. PHE 94 94 15775 1
. PHE 95 95 15775 1
. GLU 96 96 15775 1
. GLN 97 97 15775 1
. MET 98 98 15775 1
. GLN 99 99 15775 1
. ASN 100 100 15775 1
. GLN 101 101 15775 1
. GLY 102 102 15775 1
. ARG 103 103 15775 1
. ILE 104 104 15775 1
. LEU 105 105 15775 1
. GLN 106 106 15775 1
. ILE 107 107 15775 1
. SER 108 108 15775 1
. ILE 109 109 15775 1
. THR 110 110 15775 1
. LEU 111 111 15775 1
. ALA 112 112 15775 1
. ALA 113 113 15775 1
. ALA 114 114 15775 1
. LEU 115 115 15775 1
. GLU 116 116 15775 1
. HIS 117 117 15775 1
. HIS 118 118 15775 1
. HIS 119 119 15775 1
. HIS 120 120 15775 1
. HIS 121 121 15775 1
. HIS 122 122 15775 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 15775
_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 $APP_C99 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15775 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 15775
_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 $APP_C99 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-21a . . . . . . 15775 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 15775
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '13C, 15N, 2H(70%) in 9% LMPG micelle solution, 250 mM imidazole-acetate, 1 mM EDTA, pH 6.5'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'APP C99' '[U-100% 13C; U-100% 15N; 80% 2H]' . . 1 $APP_C99 . . 2.5 . . mM . . . . 15775 1
2 'LMPG micelle' . . . . . . . 9 . . % . . . . 15775 1
3 imidazole-acetate . . . . . . . 250 . . mM . . . . 15775 1
4 EDTA . . . . . . . 1 . . mM . . . . 15775 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 15775
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0 . M 15775 1
pH 6.5 . pH 15775 1
pressure 1 . atm 15775 1
temperature 318 . K 15775 1
stop_
save_
############################
# Computer software used #
############################
save_Felix
_Software.Sf_category software
_Software.Sf_framecode Felix
_Software.Entry_ID 15775
_Software.ID 1
_Software.Name FELIX
_Software.Version 2000
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Accelrys Software Inc.' . . 15775 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 15775 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 15775
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 900
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 15775
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Varian INOVA . 900 . . . 15775 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 15775
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15775 1
2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15775 1
3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15775 1
4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15775 1
5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15775 1
6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15775 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 15775
_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 0.00 . indirect 0.251449530 . . . . . . . . . 15775 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15775 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15775 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_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15775
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_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 '2D 1H-15N HSQC' . . . 15775 1
2 '3D HNCO' . . . 15775 1
3 '3D HNCA' . . . 15775 1
4 '3D HN(CO)CA' . . . 15775 1
5 '3D HNCACB' . . . 15775 1
6 '3D HN(COCA)CB' . . . 15775 1
stop_
loop_
_Systematic_chem_shift_offset.Type
_Systematic_chem_shift_offset.Atom_type
_Systematic_chem_shift_offset.Atom_isotope_number
_Systematic_chem_shift_offset.Val
_Systematic_chem_shift_offset.Val_err
_Systematic_chem_shift_offset.Entry_ID
_Systematic_chem_shift_offset.Assigned_chem_shift_list_ID
'2H isotope effect' . . . . 15775 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $Felix . . 15775 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 3 3 ALA H H 1 8.1390 0.03 . 1 . . . . 673 ALA HN . 15775 1
2 . 1 1 3 3 ALA C C 13 177.382 0.2 . 1 . . . . 673 ALA C . 15775 1
3 . 1 1 3 3 ALA CA C 13 52.236 0.25 . 1 . . . . 673 ALA CA . 15775 1
4 . 1 1 3 3 ALA CB C 13 18.716 0.35 . 1 . . . . 673 ALA CB . 15775 1
5 . 1 1 3 3 ALA N N 15 124.570 0.1 . 1 . . . . 673 ALA N . 15775 1
6 . 1 1 4 4 GLU H H 1 8.0860 0.03 . 1 . . . . 674 GLU HN . 15775 1
7 . 1 1 4 4 GLU C C 13 176.123 0.2 . 1 . . . . 674 GLU C . 15775 1
8 . 1 1 4 4 GLU CA C 13 56.182 0.25 . 1 . . . . 674 GLU CA . 15775 1
9 . 1 1 4 4 GLU CB C 13 29.365 0.35 . 1 . . . . 674 GLU CB . 15775 1
10 . 1 1 4 4 GLU N N 15 119.561 0.1 . 1 . . . . 674 GLU N . 15775 1
11 . 1 1 5 5 PHE H H 1 7.8710 0.03 . 1 . . . . 675 PHE HN . 15775 1
12 . 1 1 5 5 PHE C C 13 175.422 0.2 . 1 . . . . 675 PHE C . 15775 1
13 . 1 1 5 5 PHE CA C 13 57.203 0.25 . 1 . . . . 675 PHE CA . 15775 1
14 . 1 1 5 5 PHE CB C 13 38.784 0.35 . 1 . . . . 675 PHE CB . 15775 1
15 . 1 1 5 5 PHE N N 15 120.624 0.1 . 1 . . . . 675 PHE N . 15775 1
16 . 1 1 6 6 ARG H H 1 7.8410 0.03 . 1 . . . . 676 ARG HN . 15775 1
17 . 1 1 6 6 ARG CA C 13 55.516 0.25 . 1 . . . . 676 ARG CA . 15775 1
18 . 1 1 6 6 ARG CB C 13 29.689 0.35 . 1 . . . . 676 ARG CB . 15775 1
19 . 1 1 6 6 ARG N N 15 122.130 0.1 . 1 . . . . 676 ARG N . 15775 1
20 . 1 1 7 7 HIS C C 13 174.292 0.2 . 1 . . . . 677 HIS C . 15775 1
21 . 1 1 8 8 ASP H H 1 8.1770 0.03 . 1 . . . . 678 ASP HN . 15775 1
22 . 1 1 8 8 ASP C C 13 176.159 0.2 . 1 . . . . 678 ASP C . 15775 1
23 . 1 1 8 8 ASP CA C 13 53.923 0.25 . 1 . . . . 678 ASP CA . 15775 1
24 . 1 1 8 8 ASP CB C 13 40.749 0.35 . 1 . . . . 678 ASP CB . 15775 1
25 . 1 1 8 8 ASP N N 15 121.723 0.1 . 1 . . . . 678 ASP N . 15775 1
26 . 1 1 9 9 SER H H 1 8.1190 0.03 . 1 . . . . 679 SER HN . 15775 1
27 . 1 1 9 9 SER C C 13 175.022 0.2 . 1 . . . . 679 SER C . 15775 1
28 . 1 1 9 9 SER CA C 13 58.428 0.25 . 1 . . . . 679 SER CA . 15775 1
29 . 1 1 9 9 SER CB C 13 63.586 0.35 . 1 . . . . 679 SER CB . 15775 1
30 . 1 1 9 9 SER N N 15 116.437 0.1 . 1 . . . . 679 SER N . 15775 1
31 . 1 1 10 10 GLY H H 1 8.2540 0.03 . 1 . . . . 680 GLY HN . 15775 1
32 . 1 1 10 10 GLY C C 13 174.008 0.2 . 1 . . . . 680 GLY C . 15775 1
33 . 1 1 10 10 GLY CA C 13 45.099 0.25 . 1 . . . . 680 GLY CA . 15775 1
34 . 1 1 10 10 GLY N N 15 110.751 0.1 . 1 . . . . 680 GLY N . 15775 1
35 . 1 1 11 11 TYR H H 1 7.7850 0.03 . 1 . . . . 681 TYR HN . 15775 1
36 . 1 1 11 11 TYR C C 13 175.648 0.2 . 1 . . . . 681 TYR C . 15775 1
37 . 1 1 11 11 TYR CA C 13 57.983 0.25 . 1 . . . . 681 TYR CA . 15775 1
38 . 1 1 11 11 TYR CB C 13 38.307 0.35 . 1 . . . . 681 TYR CB . 15775 1
39 . 1 1 11 11 TYR N N 15 120.438 0.1 . 1 . . . . 681 TYR N . 15775 1
40 . 1 1 12 12 GLU H H 1 8.0790 0.03 . 1 . . . . 682 GLU HN . 15775 1
41 . 1 1 12 12 GLU CA C 13 56.172 0.25 . 1 . . . . 682 GLU CA . 15775 1
42 . 1 1 12 12 GLU CB C 13 29.586 0.35 . 1 . . . . 682 GLU CB . 15775 1
43 . 1 1 12 12 GLU N N 15 122.316 0.1 . 1 . . . . 682 GLU N . 15775 1
44 . 1 1 17 17 LYS C C 13 177.202 0.2 . 1 . . . . 687 LYS C . 15775 1
45 . 1 1 18 18 LEU H H 1 7.9300 0.03 . 1 . . . . 688 LEU HN . 15775 1
46 . 1 1 18 18 LEU C C 13 177.245 0.2 . 1 . . . . 688 LEU C . 15775 1
47 . 1 1 18 18 LEU CA C 13 56.078 0.25 . 1 . . . . 688 LEU CA . 15775 1
48 . 1 1 18 18 LEU CB C 13 40.851 0.35 . 1 . . . . 688 LEU CB . 15775 1
49 . 1 1 18 18 LEU N N 15 120.996 0.1 . 1 . . . . 688 LEU N . 15775 1
50 . 1 1 19 19 VAL H H 1 7.5580 0.03 . 1 . . . . 689 VAL HN . 15775 1
51 . 1 1 19 19 VAL C C 13 176.362 0.2 . 1 . . . . 689 VAL C . 15775 1
52 . 1 1 19 19 VAL CA C 13 63.671 0.25 . 1 . . . . 689 VAL CA . 15775 1
53 . 1 1 19 19 VAL CB C 13 31.490 0.35 . 1 . . . . 689 VAL CB . 15775 1
54 . 1 1 19 19 VAL N N 15 118.167 0.1 . 1 . . . . 689 VAL N . 15775 1
55 . 1 1 20 20 PHE H H 1 7.6370 0.03 . 1 . . . . 690 PHE HN . 15775 1
56 . 1 1 20 20 PHE C C 13 176.353 0.2 . 1 . . . . 690 PHE C . 15775 1
57 . 1 1 20 20 PHE CA C 13 58.499 0.25 . 1 . . . . 690 PHE CA . 15775 1
58 . 1 1 20 20 PHE CB C 13 38.456 0.35 . 1 . . . . 690 PHE CB . 15775 1
59 . 1 1 20 20 PHE N N 15 120.127 0.1 . 1 . . . . 690 PHE N . 15775 1
60 . 1 1 21 21 PHE H H 1 7.6430 0.03 . 1 . . . . 691 PHE HN . 15775 1
61 . 1 1 21 21 PHE C C 13 175.948 0.2 . 1 . . . . 691 PHE C . 15775 1
62 . 1 1 21 21 PHE CA C 13 58.522 0.25 . 1 . . . . 691 PHE CA . 15775 1
63 . 1 1 21 21 PHE CB C 13 38.771 0.35 . 1 . . . . 691 PHE CB . 15775 1
64 . 1 1 21 21 PHE N N 15 118.695 0.1 . 1 . . . . 691 PHE N . 15775 1
65 . 1 1 22 22 ALA H H 1 7.9350 0.03 . 1 . . . . 692 ALA HN . 15775 1
66 . 1 1 22 22 ALA C C 13 178.283 0.2 . 1 . . . . 692 ALA C . 15775 1
67 . 1 1 22 22 ALA CA C 13 53.446 0.25 . 1 . . . . 692 ALA CA . 15775 1
68 . 1 1 22 22 ALA CB C 13 18.266 0.35 . 1 . . . . 692 ALA CB . 15775 1
69 . 1 1 22 22 ALA N N 15 122.085 0.1 . 1 . . . . 692 ALA N . 15775 1
70 . 1 1 23 23 GLU H H 1 8.0080 0.03 . 1 . . . . 693 GLU HN . 15775 1
71 . 1 1 23 23 GLU C C 13 177.164 0.2 . 1 . . . . 693 GLU C . 15775 1
72 . 1 1 23 23 GLU CA C 13 57.306 0.25 . 1 . . . . 693 GLU CA . 15775 1
73 . 1 1 23 23 GLU CB C 13 28.857 0.35 . 1 . . . . 693 GLU CB . 15775 1
74 . 1 1 23 23 GLU N N 15 117.139 0.1 . 1 . . . . 693 GLU N . 15775 1
75 . 1 1 24 24 ASP H H 1 7.9310 0.03 . 1 . . . . 694 ASP HN . 15775 1
76 . 1 1 24 24 ASP C C 13 177.172 0.2 . 1 . . . . 694 ASP C . 15775 1
77 . 1 1 24 24 ASP CA C 13 54.776 0.25 . 1 . . . . 694 ASP CA . 15775 1
78 . 1 1 24 24 ASP CB C 13 40.097 0.35 . 1 . . . . 694 ASP CB . 15775 1
79 . 1 1 24 24 ASP N N 15 119.273 0.1 . 1 . . . . 694 ASP N . 15775 1
80 . 1 1 25 25 VAL H H 1 7.7330 0.03 . 1 . . . . 695 VAL HN . 15775 1
81 . 1 1 25 25 VAL C C 13 176.702 0.2 . 1 . . . . 695 VAL C . 15775 1
82 . 1 1 25 25 VAL CA C 13 63.577 0.25 . 1 . . . . 695 VAL CA . 15775 1
83 . 1 1 25 25 VAL CB C 13 31.320 0.35 . 1 . . . . 695 VAL CB . 15775 1
84 . 1 1 25 25 VAL N N 15 118.731 0.1 . 1 . . . . 695 VAL N . 15775 1
85 . 1 1 26 26 GLY H H 1 7.9820 0.03 . 1 . . . . 696 GLY HN . 15775 1
86 . 1 1 26 26 GLY C C 13 174.241 0.2 . 1 . . . . 696 GLY C . 15775 1
87 . 1 1 26 26 GLY CA C 13 45.767 0.25 . 1 . . . . 696 GLY CA . 15775 1
88 . 1 1 26 26 GLY N N 15 107.608 0.1 . 1 . . . . 696 GLY N . 15775 1
89 . 1 1 27 27 SER H H 1 7.6770 0.03 . 1 . . . . 697 SER HN . 15775 1
90 . 1 1 27 27 SER C C 13 174.356 0.2 . 1 . . . . 697 SER C . 15775 1
91 . 1 1 27 27 SER CA C 13 58.419 0.25 . 1 . . . . 697 SER CA . 15775 1
92 . 1 1 27 27 SER CB C 13 63.632 0.35 . 1 . . . . 697 SER CB . 15775 1
93 . 1 1 27 27 SER N N 15 114.367 0.1 . 1 . . . . 697 SER N . 15775 1
94 . 1 1 28 28 ASN H H 1 7.9610 0.03 . 1 . . . . 698 ASN HN . 15775 1
95 . 1 1 28 28 ASN C C 13 175.238 0.2 . 1 . . . . 698 ASN C . 15775 1
96 . 1 1 28 28 ASN CA C 13 52.987 0.25 . 1 . . . . 698 ASN CA . 15775 1
97 . 1 1 28 28 ASN CB C 13 38.663 0.35 . 1 . . . . 698 ASN CB . 15775 1
98 . 1 1 28 28 ASN N N 15 120.938 0.1 . 1 . . . . 698 ASN N . 15775 1
99 . 1 1 29 29 LYS H H 1 8.2820 0.03 . 1 . . . . 699 LYS HN . 15775 1
100 . 1 1 29 29 LYS C C 13 177.714 0.2 . 1 . . . . 699 LYS C . 15775 1
101 . 1 1 29 29 LYS CA C 13 58.796 0.25 . 1 . . . . 699 LYS CA . 15775 1
102 . 1 1 29 29 LYS CB C 13 31.653 0.35 . 1 . . . . 699 LYS CB . 15775 1
103 . 1 1 29 29 LYS N N 15 122.281 0.1 . 1 . . . . 699 LYS N . 15775 1
104 . 1 1 30 30 GLY H H 1 8.3400 0.03 . 1 . . . . 700 GLY HN . 15775 1
105 . 1 1 30 30 GLY C C 13 175.126 0.2 . 1 . . . . 700 GLY C . 15775 1
106 . 1 1 30 30 GLY CA C 13 46.888 0.25 . 1 . . . . 700 GLY CA . 15775 1
107 . 1 1 30 30 GLY N N 15 106.683 0.1 . 1 . . . . 700 GLY N . 15775 1
108 . 1 1 31 31 ALA H H 1 7.7150 0.03 . 1 . . . . 701 ALA HN . 15775 1
109 . 1 1 31 31 ALA C C 13 178.774 0.2 . 1 . . . . 701 ALA C . 15775 1
110 . 1 1 31 31 ALA CA C 13 54.484 0.25 . 1 . . . . 701 ALA CA . 15775 1
111 . 1 1 31 31 ALA CB C 13 17.796 0.35 . 1 . . . . 701 ALA CB . 15775 1
112 . 1 1 31 31 ALA N N 15 122.746 0.1 . 1 . . . . 701 ALA N . 15775 1
113 . 1 1 32 32 ILE H H 1 7.5580 0.03 . 1 . . . . 702 ILE HN . 15775 1
114 . 1 1 32 32 ILE C C 13 177.636 0.2 . 1 . . . . 702 ILE C . 15775 1
115 . 1 1 32 32 ILE CA C 13 64.103 0.25 . 1 . . . . 702 ILE CA . 15775 1
116 . 1 1 32 32 ILE CB C 13 36.339 0.35 . 1 . . . . 702 ILE CB . 15775 1
117 . 1 1 32 32 ILE N N 15 116.514 0.1 . 1 . . . . 702 ILE N . 15775 1
118 . 1 1 33 33 ILE H H 1 7.9310 0.03 . 1 . . . . 703 ILE HN . 15775 1
119 . 1 1 33 33 ILE C C 13 178.022 0.2 . 1 . . . . 703 ILE C . 15775 1
120 . 1 1 33 33 ILE CA C 13 64.701 0.25 . 1 . . . . 703 ILE CA . 15775 1
121 . 1 1 33 33 ILE CB C 13 36.017 0.35 . 1 . . . . 703 ILE CB . 15775 1
122 . 1 1 33 33 ILE N N 15 119.558 0.1 . 1 . . . . 703 ILE N . 15775 1
123 . 1 1 34 34 GLY H H 1 8.2230 0.03 . 1 . . . . 704 GLY HN . 15775 1
124 . 1 1 34 34 GLY C C 13 174.760 0.2 . 1 . . . . 704 GLY C . 15775 1
125 . 1 1 34 34 GLY CA C 13 47.536 0.25 . 1 . . . . 704 GLY CA . 15775 1
126 . 1 1 34 34 GLY N N 15 106.684 0.1 . 1 . . . . 704 GLY N . 15775 1
127 . 1 1 35 35 LEU H H 1 8.0730 0.03 . 1 . . . . 705 LEU HN . 15775 1
128 . 1 1 35 35 LEU C C 13 178.392 0.2 . 1 . . . . 705 LEU C . 15775 1
129 . 1 1 35 35 LEU CA C 13 57.766 0.25 . 1 . . . . 705 LEU CA . 15775 1
130 . 1 1 35 35 LEU CB C 13 41.192 0.35 . 1 . . . . 705 LEU CB . 15775 1
131 . 1 1 35 35 LEU N N 15 121.037 0.1 . 1 . . . . 705 LEU N . 15775 1
132 . 1 1 36 36 MET H H 1 7.9890 0.03 . 1 . . . . 706 MET HN . 15775 1
133 . 1 1 36 36 MET C C 13 177.705 0.2 . 1 . . . . 706 MET C . 15775 1
134 . 1 1 36 36 MET CA C 13 59.157 0.25 . 1 . . . . 706 MET CA . 15775 1
135 . 1 1 36 36 MET N N 15 117.646 0.1 . 1 . . . . 706 MET N . 15775 1
136 . 1 1 37 37 VAL H H 1 8.3980 0.03 . 1 . . . . 707 VAL HN . 15775 1
137 . 1 1 37 37 VAL C C 13 177.980 0.2 . 1 . . . . 707 VAL C . 15775 1
138 . 1 1 37 37 VAL CA C 13 66.437 0.25 . 1 . . . . 707 VAL CA . 15775 1
139 . 1 1 37 37 VAL CB C 13 30.250 0.35 . 1 . . . . 707 VAL CB . 15775 1
140 . 1 1 37 37 VAL N N 15 117.993 0.1 . 1 . . . . 707 VAL N . 15775 1
141 . 1 1 38 38 GLY H H 1 8.5230 0.03 . 1 . . . . 708 GLY HN . 15775 1
142 . 1 1 38 38 GLY C C 13 174.916 0.2 . 1 . . . . 708 GLY C . 15775 1
143 . 1 1 38 38 GLY CA C 13 47.173 0.25 . 1 . . . . 708 GLY CA . 15775 1
144 . 1 1 38 38 GLY N N 15 106.333 0.1 . 1 . . . . 708 GLY N . 15775 1
145 . 1 1 39 39 GLY H H 1 8.5300 0.03 . 1 . . . . 709 GLY HN . 15775 1
146 . 1 1 39 39 GLY C C 13 174.357 0.2 . 1 . . . . 709 GLY C . 15775 1
147 . 1 1 39 39 GLY CA C 13 47.079 0.25 . 1 . . . . 709 GLY CA . 15775 1
148 . 1 1 39 39 GLY N N 15 108.592 0.1 . 1 . . . . 709 GLY N . 15775 1
149 . 1 1 40 40 VAL H H 1 7.9950 0.03 . 1 . . . . 710 VAL HN . 15775 1
150 . 1 1 40 40 VAL C C 13 178.940 0.2 . 1 . . . . 710 VAL C . 15775 1
151 . 1 1 40 40 VAL CA C 13 66.398 0.25 . 1 . . . . 710 VAL CA . 15775 1
152 . 1 1 40 40 VAL CB C 13 30.644 0.35 . 1 . . . . 710 VAL CB . 15775 1
153 . 1 1 40 40 VAL N N 15 121.037 0.1 . 1 . . . . 710 VAL N . 15775 1
154 . 1 1 41 41 VAL H H 1 8.2810 0.03 . 1 . . . . 711 VAL HN . 15775 1
155 . 1 1 41 41 VAL C C 13 177.241 0.2 . 1 . . . . 711 VAL C . 15775 1
156 . 1 1 41 41 VAL CA C 13 67.233 0.25 . 1 . . . . 711 VAL CA . 15775 1
157 . 1 1 41 41 VAL CB C 13 30.324 0.35 . 1 . . . . 711 VAL CB . 15775 1
158 . 1 1 41 41 VAL N N 15 122.600 0.1 . 1 . . . . 711 VAL N . 15775 1
159 . 1 1 42 42 ILE H H 1 8.2410 0.03 . 1 . . . . 712 ILE HN . 15775 1
160 . 1 1 42 42 ILE C C 13 177.379 0.2 . 1 . . . . 712 ILE C . 15775 1
161 . 1 1 42 42 ILE CA C 13 64.714 0.25 . 1 . . . . 712 ILE CA . 15775 1
162 . 1 1 42 42 ILE CB C 13 36.412 0.35 . 1 . . . . 712 ILE CB . 15775 1
163 . 1 1 42 42 ILE N N 15 118.880 0.1 . 1 . . . . 712 ILE N . 15775 1
164 . 1 1 43 43 ALA H H 1 8.3520 0.03 . 1 . . . . 713 ALA HN . 15775 1
165 . 1 1 43 43 ALA C C 13 178.593 0.2 . 1 . . . . 713 ALA C . 15775 1
166 . 1 1 43 43 ALA CA C 13 55.322 0.25 . 1 . . . . 713 ALA CA . 15775 1
167 . 1 1 43 43 ALA CB C 13 17.400 0.35 . 1 . . . . 713 ALA CB . 15775 1
168 . 1 1 43 43 ALA N N 15 120.783 0.1 . 1 . . . . 713 ALA N . 15775 1
169 . 1 1 44 44 THR H H 1 7.9470 0.03 . 1 . . . . 714 THR HN . 15775 1
170 . 1 1 44 44 THR C C 13 176.180 0.2 . 1 . . . . 714 THR C . 15775 1
171 . 1 1 44 44 THR CA C 13 67.701 0.25 . 1 . . . . 714 THR CA . 15775 1
172 . 1 1 44 44 THR CB C 13 67.059 0.35 . 1 . . . . 714 THR CB . 15775 1
173 . 1 1 44 44 THR N N 15 114.276 0.1 . 1 . . . . 714 THR N . 15775 1
174 . 1 1 45 45 VAL H H 1 8.0270 0.03 . 1 . . . . 715 VAL HN . 15775 1
175 . 1 1 45 45 VAL C C 13 178.973 0.2 . 1 . . . . 715 VAL C . 15775 1
176 . 1 1 45 45 VAL CA C 13 66.576 0.25 . 1 . . . . 715 VAL CA . 15775 1
177 . 1 1 45 45 VAL N N 15 120.472 0.1 . 1 . . . . 715 VAL N . 15775 1
178 . 1 1 46 46 ILE H H 1 8.2290 0.03 . 1 . . . . 716 ILE HN . 15775 1
179 . 1 1 46 46 ILE C C 13 176.997 0.2 . 1 . . . . 716 ILE C . 15775 1
180 . 1 1 46 46 ILE CA C 13 65.733 0.25 . 1 . . . . 716 ILE CA . 15775 1
181 . 1 1 46 46 ILE CB C 13 36.018 0.35 . 1 . . . . 716 ILE CB . 15775 1
182 . 1 1 46 46 ILE N N 15 122.186 0.1 . 1 . . . . 716 ILE N . 15775 1
183 . 1 1 47 47 VAL H H 1 8.2460 0.03 . 1 . . . . 717 VAL HN . 15775 1
184 . 1 1 47 47 VAL C C 13 177.610 0.2 . 1 . . . . 717 VAL C . 15775 1
185 . 1 1 47 47 VAL CA C 13 67.400 0.25 . 1 . . . . 717 VAL CA . 15775 1
186 . 1 1 47 47 VAL CB C 13 29.976 0.35 . 1 . . . . 717 VAL CB . 15775 1
187 . 1 1 47 47 VAL N N 15 119.307 0.1 . 1 . . . . 717 VAL N . 15775 1
188 . 1 1 48 48 ILE H H 1 8.3850 0.03 . 1 . . . . 718 ILE HN . 15775 1
189 . 1 1 48 48 ILE C C 13 177.606 0.2 . 1 . . . . 718 ILE C . 15775 1
190 . 1 1 48 48 ILE CA C 13 65.183 0.25 . 1 . . . . 718 ILE CA . 15775 1
191 . 1 1 48 48 ILE CB C 13 36.830 0.35 . 1 . . . . 718 ILE CB . 15775 1
192 . 1 1 48 48 ILE N N 15 117.969 0.1 . 1 . . . . 718 ILE N . 15775 1
193 . 1 1 49 49 THR H H 1 7.9870 0.03 . 1 . . . . 719 THR HN . 15775 1
194 . 1 1 49 49 THR C C 13 176.204 0.2 . 1 . . . . 719 THR C . 15775 1
195 . 1 1 49 49 THR CA C 13 67.766 0.25 . 1 . . . . 719 THR CA . 15775 1
196 . 1 1 49 49 THR CB C 13 67.521 0.35 . 1 . . . . 719 THR CB . 15775 1
197 . 1 1 49 49 THR N N 15 117.096 0.1 . 1 . . . . 719 THR N . 15775 1
198 . 1 1 50 50 LEU H H 1 8.1770 0.03 . 1 . . . . 720 LEU HN . 15775 1
199 . 1 1 50 50 LEU C C 13 179.266 0.2 . 1 . . . . 720 LEU C . 15775 1
200 . 1 1 50 50 LEU CA C 13 58.141 0.25 . 1 . . . . 720 LEU CA . 15775 1
201 . 1 1 50 50 LEU CB C 13 40.969 0.35 . 1 . . . . 720 LEU CB . 15775 1
202 . 1 1 50 50 LEU N N 15 120.849 0.1 . 1 . . . . 720 LEU N . 15775 1
203 . 1 1 51 51 VAL H H 1 8.2490 0.03 . 1 . . . . 721 VAL HN . 15775 1
204 . 1 1 51 51 VAL C C 13 178.380 0.2 . 1 . . . . 721 VAL C . 15775 1
205 . 1 1 51 51 VAL CA C 13 66.392 0.25 . 1 . . . . 721 VAL CA . 15775 1
206 . 1 1 51 51 VAL CB C 13 30.257 0.35 . 1 . . . . 721 VAL CB . 15775 1
207 . 1 1 51 51 VAL N N 15 118.776 0.1 . 1 . . . . 721 VAL N . 15775 1
208 . 1 1 52 52 MET H H 1 8.2830 0.03 . 1 . . . . 722 MET HN . 15775 1
209 . 1 1 52 52 MET C C 13 179.116 0.2 . 1 . . . . 722 MET C . 15775 1
210 . 1 1 52 52 MET CA C 13 57.953 0.25 . 1 . . . . 722 MET CA . 15775 1
211 . 1 1 52 52 MET CB C 13 30.943 0.35 . 1 . . . . 722 MET CB . 15775 1
212 . 1 1 52 52 MET N N 15 118.434 0.1 . 1 . . . . 722 MET N . 15775 1
213 . 1 1 53 53 LEU H H 1 8.3900 0.03 . 1 . . . . 723 LEU HN . 15775 1
214 . 1 1 53 53 LEU CA C 13 57.298 0.25 . 1 . . . . 723 LEU CA . 15775 1
215 . 1 1 53 53 LEU CB C 13 40.851 0.35 . 1 . . . . 723 LEU CB . 15775 1
216 . 1 1 53 53 LEU N N 15 119.703 0.1 . 1 . . . . 723 LEU N . 15775 1
217 . 1 1 57 57 GLN C C 13 176.684 0.2 . 1 . . . . 727 GLN C . 15775 1
218 . 1 1 58 58 TYR H H 1 7.9000 0.03 . 1 . . . . 728 TYR HN . 15775 1
219 . 1 1 58 58 TYR C C 13 176.574 0.2 . 1 . . . . 728 TYR C . 15775 1
220 . 1 1 58 58 TYR CA C 13 58.706 0.25 . 1 . . . . 728 TYR CA . 15775 1
221 . 1 1 58 58 TYR CB C 13 38.077 0.35 . 1 . . . . 728 TYR CB . 15775 1
222 . 1 1 58 58 TYR N N 15 119.448 0.1 . 1 . . . . 728 TYR N . 15775 1
223 . 1 1 59 59 THR H H 1 7.7870 0.03 . 1 . . . . 729 THR HN . 15775 1
224 . 1 1 59 59 THR C C 13 174.857 0.2 . 1 . . . . 729 THR C . 15775 1
225 . 1 1 59 59 THR CA C 13 62.448 0.25 . 1 . . . . 729 THR CA . 15775 1
226 . 1 1 59 59 THR CB C 13 68.672 0.35 . 1 . . . . 729 THR CB . 15775 1
227 . 1 1 59 59 THR N N 15 113.376 0.1 . 1 . . . . 729 THR N . 15775 1
228 . 1 1 60 60 SER H H 1 7.8250 0.03 . 1 . . . . 730 SER HN . 15775 1
229 . 1 1 60 60 SER C C 13 174.736 0.2 . 1 . . . . 730 SER C . 15775 1
230 . 1 1 60 60 SER CA C 13 58.609 0.25 . 1 . . . . 730 SER CA . 15775 1
231 . 1 1 60 60 SER CB C 13 63.422 0.35 . 1 . . . . 730 SER CB . 15775 1
232 . 1 1 60 60 SER N N 15 117.210 0.1 . 1 . . . . 730 SER N . 15775 1
233 . 1 1 61 61 ILE H H 1 7.6300 0.03 . 1 . . . . 731 ILE HN . 15775 1
234 . 1 1 61 61 ILE C C 13 175.977 0.2 . 1 . . . . 731 ILE C . 15775 1
235 . 1 1 61 61 ILE CA C 13 61.217 0.25 . 1 . . . . 731 ILE CA . 15775 1
236 . 1 1 61 61 ILE CB C 13 37.778 0.35 . 1 . . . . 731 ILE CB . 15775 1
237 . 1 1 61 61 ILE N N 15 120.779 0.1 . 1 . . . . 731 ILE N . 15775 1
238 . 1 1 62 62 HIS H H 1 8.0340 0.03 . 1 . . . . 732 HIS HN . 15775 1
239 . 1 1 62 62 HIS CA C 13 55.052 0.25 . 1 . . . . 732 HIS CA . 15775 1
240 . 1 1 62 62 HIS CB C 13 28.706 0.35 . 1 . . . . 732 HIS CB . 15775 1
241 . 1 1 62 62 HIS N N 15 120.779 0.1 . 1 . . . . 732 HIS N . 15775 1
242 . 1 1 63 63 HIS C C 13 174.825 0.2 . 1 . . . . 733 HIS C . 15775 1
243 . 1 1 64 64 GLY H H 1 8.2160 0.03 . 1 . . . . 734 GLY HN . 15775 1
244 . 1 1 64 64 GLY C C 13 173.774 0.2 . 1 . . . . 734 GLY C . 15775 1
245 . 1 1 64 64 GLY CA C 13 44.944 0.25 . 1 . . . . 734 GLY CA . 15775 1
246 . 1 1 64 64 GLY N N 15 110.214 0.1 . 1 . . . . 734 GLY N . 15775 1
247 . 1 1 65 65 VAL H H 1 7.8260 0.03 . 1 . . . . 735 VAL HN . 15775 1
248 . 1 1 65 65 VAL C C 13 176.042 0.2 . 1 . . . . 735 VAL C . 15775 1
249 . 1 1 65 65 VAL CA C 13 61.984 0.25 . 1 . . . . 735 VAL CA . 15775 1
250 . 1 1 65 65 VAL CB C 13 32.021 0.35 . 1 . . . . 735 VAL CB . 15775 1
251 . 1 1 65 65 VAL N N 15 119.845 0.1 . 1 . . . . 735 VAL N . 15775 1
252 . 1 1 66 66 VAL H H 1 7.9040 0.03 . 1 . . . . 736 VAL HN . 15775 1
253 . 1 1 66 66 VAL C C 13 175.857 0.2 . 1 . . . . 736 VAL C . 15775 1
254 . 1 1 66 66 VAL CA C 13 61.709 0.25 . 1 . . . . 736 VAL CA . 15775 1
255 . 1 1 66 66 VAL CB C 13 32.025 0.35 . 1 . . . . 736 VAL CB . 15775 1
256 . 1 1 66 66 VAL N N 15 123.429 0.1 . 1 . . . . 736 VAL N . 15775 1
257 . 1 1 67 67 GLU H H 1 8.1900 0.03 . 1 . . . . 737 GLU HN . 15775 1
258 . 1 1 67 67 GLU C C 13 176.272 0.2 . 1 . . . . 737 GLU C . 15775 1
259 . 1 1 67 67 GLU CA C 13 55.883 0.25 . 1 . . . . 737 GLU CA . 15775 1
260 . 1 1 67 67 GLU CB C 13 29.560 0.35 . 1 . . . . 737 GLU CB . 15775 1
261 . 1 1 67 67 GLU N N 15 125.095 0.1 . 1 . . . . 737 GLU N . 15775 1
262 . 1 1 68 68 VAL H H 1 7.9090 0.03 . 1 . . . . 738 VAL HN . 15775 1
263 . 1 1 68 68 VAL C C 13 175.782 0.2 . 1 . . . . 738 VAL C . 15775 1
264 . 1 1 68 68 VAL CA C 13 61.889 0.25 . 1 . . . . 738 VAL CA . 15775 1
265 . 1 1 68 68 VAL CB C 13 32.061 0.35 . 1 . . . . 738 VAL CB . 15775 1
266 . 1 1 68 68 VAL N N 15 121.095 0.1 . 1 . . . . 738 VAL N . 15775 1
267 . 1 1 69 69 ASP H H 1 8.1250 0.03 . 1 . . . . 739 ASP HN . 15775 1
268 . 1 1 69 69 ASP C C 13 175.878 0.2 . 1 . . . . 739 ASP C . 15775 1
269 . 1 1 69 69 ASP CA C 13 53.929 0.25 . 1 . . . . 739 ASP CA . 15775 1
270 . 1 1 69 69 ASP CB C 13 40.531 0.35 . 1 . . . . 739 ASP CB . 15775 1
271 . 1 1 69 69 ASP N N 15 123.432 0.1 . 1 . . . . 739 ASP N . 15775 1
272 . 1 1 70 70 ALA H H 1 7.8720 0.03 . 1 . . . . 740 ALA HN . 15775 1
273 . 1 1 70 70 ALA C C 13 177.255 0.2 . 1 . . . . 740 ALA C . 15775 1
274 . 1 1 70 70 ALA CA C 13 52.144 0.25 . 1 . . . . 740 ALA CA . 15775 1
275 . 1 1 70 70 ALA CB C 13 18.706 0.35 . 1 . . . . 740 ALA CB . 15775 1
276 . 1 1 70 70 ALA N N 15 124.522 0.1 . 1 . . . . 740 ALA N . 15775 1
277 . 1 1 71 71 ALA H H 1 7.9820 0.03 . 1 . . . . 741 ALA HN . 15775 1
278 . 1 1 71 71 ALA C C 13 177.622 0.2 . 1 . . . . 741 ALA C . 15775 1
279 . 1 1 71 71 ALA CA C 13 51.969 0.25 . 1 . . . . 741 ALA CA . 15775 1
280 . 1 1 71 71 ALA CB C 13 18.596 0.35 . 1 . . . . 741 ALA CB . 15775 1
281 . 1 1 71 71 ALA N N 15 123.219 0.1 . 1 . . . . 741 ALA N . 15775 1
282 . 1 1 72 72 VAL H H 1 7.6630 0.03 . 1 . . . . 742 VAL HN . 15775 1
283 . 1 1 72 72 VAL C C 13 176.111 0.2 . 1 . . . . 742 VAL C . 15775 1
284 . 1 1 72 72 VAL CA C 13 61.513 0.25 . 1 . . . . 742 VAL CA . 15775 1
285 . 1 1 72 72 VAL CB C 13 32.070 0.35 . 1 . . . . 742 VAL CB . 15775 1
286 . 1 1 72 72 VAL N N 15 118.516 0.1 . 1 . . . . 742 VAL N . 15775 1
287 . 1 1 73 73 THR H H 1 7.9500 0.03 . 1 . . . . 743 THR HN . 15775 1
288 . 1 1 73 73 THR CA C 13 59.360 0.25 . 1 . . . . 743 THR CA . 15775 1
289 . 1 1 73 73 THR CB C 13 68.971 0.35 . 1 . . . . 743 THR CB . 15775 1
290 . 1 1 73 73 THR N N 15 119.110 0.1 . 1 . . . . 743 THR N . 15775 1
291 . 1 1 77 77 ARG C C 13 176.040 0.2 . 1 . . . . 747 ARG C . 15775 1
292 . 1 1 78 78 HIS H H 1 7.9630 0.03 . 1 . . . . 748 HIS HN . 15775 1
293 . 1 1 78 78 HIS C C 13 174.974 0.2 . 1 . . . . 748 HIS C . 15775 1
294 . 1 1 78 78 HIS CA C 13 55.525 0.25 . 1 . . . . 748 HIS CA . 15775 1
295 . 1 1 78 78 HIS CB C 13 28.526 0.35 . 1 . . . . 748 HIS CB . 15775 1
296 . 1 1 78 78 HIS N N 15 120.780 0.1 . 1 . . . . 748 HIS N . 15775 1
297 . 1 1 79 79 LEU H H 1 8.0220 0.03 . 1 . . . . 749 LEU HN . 15775 1
298 . 1 1 79 79 LEU C C 13 177.546 0.2 . 1 . . . . 749 LEU C . 15775 1
299 . 1 1 79 79 LEU CA C 13 55.319 0.25 . 1 . . . . 749 LEU CA . 15775 1
300 . 1 1 79 79 LEU CB C 13 41.364 0.35 . 1 . . . . 749 LEU CB . 15775 1
301 . 1 1 79 79 LEU N N 15 122.657 0.1 . 1 . . . . 749 LEU N . 15775 1
302 . 1 1 80 80 SER H H 1 8.0330 0.03 . 1 . . . . 750 SER HN . 15775 1
303 . 1 1 80 80 SER CA C 13 58.422 0.25 . 1 . . . . 750 SER CA . 15775 1
304 . 1 1 80 80 SER CB C 13 63.528 0.35 . 1 . . . . 750 SER CB . 15775 1
305 . 1 1 80 80 SER N N 15 116.236 0.1 . 1 . . . . 750 SER N . 15775 1
306 . 1 1 82 82 MET C C 13 176.449 0.2 . 1 . . . . 752 MET C . 15775 1
307 . 1 1 83 83 GLN H H 1 7.9430 0.03 . 1 . . . . 753 GLN HN . 15775 1
308 . 1 1 83 83 GLN C C 13 176.144 0.2 . 1 . . . . 753 GLN C . 15775 1
309 . 1 1 83 83 GLN CA C 13 55.785 0.25 . 1 . . . . 753 GLN CA . 15775 1
310 . 1 1 83 83 GLN CB C 13 28.676 0.35 . 1 . . . . 753 GLN CB . 15775 1
311 . 1 1 83 83 GLN N N 15 120.327 0.1 . 1 . . . . 753 GLN N . 15775 1
312 . 1 1 84 84 GLN H H 1 8.0730 0.03 . 1 . . . . 754 GLN HN . 15775 1
313 . 1 1 84 84 GLN C C 13 175.820 0.2 . 1 . . . . 754 GLN C . 15775 1
314 . 1 1 84 84 GLN CA C 13 55.796 0.25 . 1 . . . . 754 GLN CA . 15775 1
315 . 1 1 84 84 GLN CB C 13 28.820 0.35 . 1 . . . . 754 GLN CB . 15775 1
316 . 1 1 84 84 GLN N N 15 120.923 0.1 . 1 . . . . 754 GLN N . 15775 1
317 . 1 1 85 85 ASN H H 1 8.1790 0.03 . 1 . . . . 755 ASN HN . 15775 1
318 . 1 1 85 85 ASN C C 13 175.586 0.2 . 1 . . . . 755 ASN C . 15775 1
319 . 1 1 85 85 ASN CA C 13 53.156 0.25 . 1 . . . . 755 ASN CA . 15775 1
320 . 1 1 85 85 ASN CB C 13 38.618 0.35 . 1 . . . . 755 ASN CB . 15775 1
321 . 1 1 85 85 ASN N N 15 119.262 0.1 . 1 . . . . 755 ASN N . 15775 1
322 . 1 1 86 86 GLY H H 1 8.0910 0.03 . 1 . . . . 756 GLY HN . 15775 1
323 . 1 1 86 86 GLY C C 13 173.807 0.2 . 1 . . . . 756 GLY C . 15775 1
324 . 1 1 86 86 GLY CA C 13 45.125 0.25 . 1 . . . . 756 GLY CA . 15775 1
325 . 1 1 86 86 GLY N N 15 109.349 0.1 . 1 . . . . 756 GLY N . 15775 1
326 . 1 1 87 87 TYR H H 1 7.7220 0.03 . 1 . . . . 757 TYR HN . 15775 1
327 . 1 1 87 87 TYR C C 13 175.547 0.2 . 1 . . . . 757 TYR C . 15775 1
328 . 1 1 87 87 TYR CA C 13 57.489 0.25 . 1 . . . . 757 TYR CA . 15775 1
329 . 1 1 87 87 TYR CB C 13 38.092 0.35 . 1 . . . . 757 TYR CB . 15775 1
330 . 1 1 87 87 TYR N N 15 119.779 0.1 . 1 . . . . 757 TYR N . 15775 1
331 . 1 1 88 88 GLU H H 1 7.9940 0.03 . 1 . . . . 758 GLU HN . 15775 1
332 . 1 1 88 88 GLU C C 13 175.386 0.2 . 1 . . . . 758 GLU C . 15775 1
333 . 1 1 88 88 GLU CA C 13 55.703 0.25 . 1 . . . . 758 GLU CA . 15775 1
334 . 1 1 88 88 GLU CB C 13 29.633 0.35 . 1 . . . . 758 GLU CB . 15775 1
335 . 1 1 88 88 GLU N N 15 122.269 0.1 . 1 . . . . 758 GLU N . 15775 1
336 . 1 1 89 89 ASN H H 1 8.1060 0.03 . 1 . . . . 759 ASN HN . 15775 1
337 . 1 1 89 89 ASN CA C 13 51.473 0.25 . 1 . . . . 759 ASN CA . 15775 1
338 . 1 1 89 89 ASN CB C 13 38.548 0.35 . 1 . . . . 759 ASN CB . 15775 1
339 . 1 1 89 89 ASN N N 15 120.981 0.1 . 1 . . . . 759 ASN N . 15775 1
340 . 1 1 90 90 PRO C C 13 177.776 0.2 . 1 . . . . 760 PRO C . 15775 1
341 . 1 1 91 91 THR H H 1 7.9310 0.03 . 1 . . . . 761 THR HN . 15775 1
342 . 1 1 91 91 THR C C 13 175.532 0.2 . 1 . . . . 761 THR C . 15775 1
343 . 1 1 91 91 THR CA C 13 64.711 0.25 . 1 . . . . 761 THR CA . 15775 1
344 . 1 1 91 91 THR CB C 13 68.176 0.35 . 1 . . . . 761 THR CB . 15775 1
345 . 1 1 91 91 THR N N 15 113.996 0.1 . 1 . . . . 761 THR N . 15775 1
346 . 1 1 92 92 TYR H H 1 7.6430 0.03 . 1 . . . . 762 TYR HN . 15775 1
347 . 1 1 92 92 TYR C C 13 177.468 0.2 . 1 . . . . 762 TYR C . 15775 1
348 . 1 1 92 92 TYR CA C 13 59.647 0.25 . 1 . . . . 762 TYR CA . 15775 1
349 . 1 1 92 92 TYR CB C 13 37.363 0.35 . 1 . . . . 762 TYR CB . 15775 1
350 . 1 1 92 92 TYR N N 15 121.312 0.1 . 1 . . . . 762 TYR N . 15775 1
351 . 1 1 93 93 LYS H H 1 7.8850 0.03 . 1 . . . . 763 LYS HN . 15775 1
352 . 1 1 93 93 LYS C C 13 178.366 0.2 . 1 . . . . 763 LYS C . 15775 1
353 . 1 1 93 93 LYS CA C 13 57.969 0.25 . 1 . . . . 763 LYS CA . 15775 1
354 . 1 1 93 93 LYS CB C 13 31.201 0.35 . 1 . . . . 763 LYS CB . 15775 1
355 . 1 1 93 93 LYS N N 15 120.060 0.1 . 1 . . . . 763 LYS N . 15775 1
356 . 1 1 94 94 PHE H H 1 7.7800 0.03 . 1 . . . . 764 PHE HN . 15775 1
357 . 1 1 94 94 PHE C C 13 177.096 0.2 . 1 . . . . 764 PHE C . 15775 1
358 . 1 1 94 94 PHE CA C 13 60.386 0.25 . 1 . . . . 764 PHE CA . 15775 1
359 . 1 1 94 94 PHE CB C 13 38.541 0.35 . 1 . . . . 764 PHE CB . 15775 1
360 . 1 1 94 94 PHE N N 15 119.591 0.1 . 1 . . . . 764 PHE N . 15775 1
361 . 1 1 95 95 PHE H H 1 7.6900 0.03 . 1 . . . . 765 PHE HN . 15775 1
362 . 1 1 95 95 PHE C C 13 178.522 0.2 . 1 . . . . 765 PHE C . 15775 1
363 . 1 1 95 95 PHE CA C 13 60.390 0.25 . 1 . . . . 765 PHE CA . 15775 1
364 . 1 1 95 95 PHE CB C 13 37.951 0.35 . 1 . . . . 765 PHE CB . 15775 1
365 . 1 1 95 95 PHE N N 15 117.769 0.1 . 1 . . . . 765 PHE N . 15775 1
366 . 1 1 96 96 GLU H H 1 8.0410 0.03 . 1 . . . . 766 GLU HN . 15775 1
367 . 1 1 96 96 GLU C C 13 178.554 0.2 . 1 . . . . 766 GLU C . 15775 1
368 . 1 1 96 96 GLU CA C 13 58.604 0.25 . 1 . . . . 766 GLU CA . 15775 1
369 . 1 1 96 96 GLU CB C 13 28.789 0.35 . 1 . . . . 766 GLU CB . 15775 1
370 . 1 1 96 96 GLU N N 15 119.586 0.1 . 1 . . . . 766 GLU N . 15775 1
371 . 1 1 97 97 GLN H H 1 7.7220 0.03 . 1 . . . . 767 GLN HN . 15775 1
372 . 1 1 97 97 GLN C C 13 177.965 0.2 . 1 . . . . 767 GLN C . 15775 1
373 . 1 1 97 97 GLN CA C 13 57.203 0.25 . 1 . . . . 767 GLN CA . 15775 1
374 . 1 1 97 97 GLN CB C 13 27.744 0.35 . 1 . . . . 767 GLN CB . 15775 1
375 . 1 1 97 97 GLN N N 15 117.532 0.1 . 1 . . . . 767 GLN N . 15775 1
376 . 1 1 98 98 MET H H 1 7.6290 0.03 . 1 . . . . 768 MET HN . 15775 1
377 . 1 1 98 98 MET C C 13 177.208 0.2 . 1 . . . . 768 MET C . 15775 1
378 . 1 1 98 98 MET CA C 13 56.641 0.25 . 1 . . . . 768 MET CA . 15775 1
379 . 1 1 98 98 MET CB C 13 32.015 0.35 . 1 . . . . 768 MET CB . 15775 1
380 . 1 1 98 98 MET N N 15 118.321 0.1 . 1 . . . . 768 MET N . 15775 1
381 . 1 1 99 99 GLN H H 1 7.7010 0.03 . 1 . . . . 769 GLN HN . 15775 1
382 . 1 1 99 99 GLN C C 13 176.728 0.2 . 1 . . . . 769 GLN C . 15775 1
383 . 1 1 99 99 GLN CA C 13 57.110 0.25 . 1 . . . . 769 GLN CA . 15775 1
384 . 1 1 99 99 GLN CB C 13 28.248 0.35 . 1 . . . . 769 GLN CB . 15775 1
385 . 1 1 99 99 GLN N N 15 117.753 0.1 . 1 . . . . 769 GLN N . 15775 1
386 . 1 1 100 100 ASN H H 1 7.8190 0.03 . 1 . . . . 770 ASN HN . 15775 1
387 . 1 1 100 100 ASN C C 13 175.919 0.2 . 1 . . . . 770 ASN C . 15775 1
388 . 1 1 100 100 ASN CA C 13 53.649 0.25 . 1 . . . . 770 ASN CA . 15775 1
389 . 1 1 100 100 ASN CB C 13 38.319 0.35 . 1 . . . . 770 ASN CB . 15775 1
390 . 1 1 100 100 ASN N N 15 117.421 0.1 . 1 . . . . 770 ASN N . 15775 1
391 . 1 1 101 101 GLN H H 1 7.9430 0.03 . 1 . . . . 771 GLN HN . 15775 1
392 . 1 1 101 101 GLN C C 13 176.856 0.2 . 1 . . . . 771 GLN C . 15775 1
393 . 1 1 101 101 GLN CA C 13 56.066 0.25 . 1 . . . . 771 GLN CA . 15775 1
394 . 1 1 101 101 GLN CB C 13 27.909 0.35 . 1 . . . . 771 GLN CB . 15775 1
395 . 1 1 101 101 GLN N N 15 119.530 0.1 . 1 . . . . 771 GLN N . 15775 1
396 . 1 1 102 102 GLY H H 1 8.1370 0.03 . 1 . . . . 772 GLY HN . 15775 1
397 . 1 1 102 102 GLY C C 13 175.600 0.2 . 1 . . . . 772 GLY C . 15775 1
398 . 1 1 102 102 GLY CA C 13 46.416 0.25 . 1 . . . . 772 GLY CA . 15775 1
399 . 1 1 102 102 GLY N N 15 108.546 0.1 . 1 . . . . 772 GLY N . 15775 1
400 . 1 1 103 103 ARG H H 1 8.0150 0.03 . 1 . . . . 773 ARG HN . 15775 1
401 . 1 1 103 103 ARG C C 13 178.012 0.2 . 1 . . . . 773 ARG C . 15775 1
402 . 1 1 103 103 ARG CA C 13 57.683 0.25 . 1 . . . . 773 ARG CA . 15775 1
403 . 1 1 103 103 ARG CB C 13 29.278 0.35 . 1 . . . . 773 ARG CB . 15775 1
404 . 1 1 103 103 ARG N N 15 120.694 0.1 . 1 . . . . 773 ARG N . 15775 1
405 . 1 1 104 104 ILE H H 1 7.7670 0.03 . 1 . . . . 774 ILE HN . 15775 1
406 . 1 1 104 104 ILE C C 13 178.196 0.2 . 1 . . . . 774 ILE C . 15775 1
407 . 1 1 104 104 ILE CA C 13 63.577 0.25 . 1 . . . . 774 ILE CA . 15775 1
408 . 1 1 104 104 ILE CB C 13 36.283 0.35 . 1 . . . . 774 ILE CB . 15775 1
409 . 1 1 104 104 ILE N N 15 118.416 0.1 . 1 . . . . 774 ILE N . 15775 1
410 . 1 1 105 105 LEU H H 1 7.8650 0.03 . 1 . . . . 775 LEU HN . 15775 1
411 . 1 1 105 105 LEU C C 13 178.342 0.2 . 1 . . . . 775 LEU C . 15775 1
412 . 1 1 105 105 LEU CA C 13 57.485 0.25 . 1 . . . . 775 LEU CA . 15775 1
413 . 1 1 105 105 LEU CB C 13 40.275 0.35 . 1 . . . . 775 LEU CB . 15775 1
414 . 1 1 105 105 LEU N N 15 122.271 0.1 . 1 . . . . 775 LEU N . 15775 1
415 . 1 1 106 106 GLN H H 1 7.7930 0.03 . 1 . . . . 776 GLN HN . 15775 1
416 . 1 1 106 106 GLN C C 13 179.174 0.2 . 1 . . . . 776 GLN C . 15775 1
417 . 1 1 106 106 GLN CA C 13 58.594 0.25 . 1 . . . . 776 GLN CA . 15775 1
418 . 1 1 106 106 GLN CB C 13 27.656 0.35 . 1 . . . . 776 GLN CB . 15775 1
419 . 1 1 106 106 GLN N N 15 118.066 0.1 . 1 . . . . 776 GLN N . 15775 1
420 . 1 1 107 107 ILE H H 1 8.1050 0.03 . 1 . . . . 777 ILE HN . 15775 1
421 . 1 1 107 107 ILE C C 13 177.468 0.2 . 1 . . . . 777 ILE C . 15775 1
422 . 1 1 107 107 ILE CA C 13 64.613 0.25 . 1 . . . . 777 ILE CA . 15775 1
423 . 1 1 107 107 ILE CB C 13 37.334 0.35 . 1 . . . . 777 ILE CB . 15775 1
424 . 1 1 107 107 ILE N N 15 120.284 0.1 . 1 . . . . 777 ILE N . 15775 1
425 . 1 1 108 108 SER H H 1 7.9870 0.03 . 1 . . . . 778 SER HN . 15775 1
426 . 1 1 108 108 SER C C 13 175.673 0.2 . 1 . . . . 778 SER C . 15775 1
427 . 1 1 108 108 SER CA C 13 62.827 0.25 . 1 . . . . 778 SER CA . 15775 1
428 . 1 1 108 108 SER N N 15 117.096 0.1 . 1 . . . . 778 SER N . 15775 1
429 . 1 1 109 109 ILE H H 1 7.9290 0.03 . 1 . . . . 779 ILE HN . 15775 1
430 . 1 1 109 109 ILE C C 13 178.253 0.2 . 1 . . . . 779 ILE C . 15775 1
431 . 1 1 109 109 ILE CA C 13 64.322 0.25 . 1 . . . . 779 ILE CA . 15775 1
432 . 1 1 109 109 ILE CB C 13 36.742 0.35 . 1 . . . . 779 ILE CB . 15775 1
433 . 1 1 109 109 ILE N N 15 121.832 0.1 . 1 . . . . 779 ILE N . 15775 1
434 . 1 1 110 110 THR H H 1 7.7150 0.03 . 1 . . . . 780 THR HN . 15775 1
435 . 1 1 110 110 THR C C 13 176.834 0.2 . 1 . . . . 780 THR C . 15775 1
436 . 1 1 110 110 THR CA C 13 66.285 0.25 . 1 . . . . 780 THR CA . 15775 1
437 . 1 1 110 110 THR CB C 13 68.076 0.35 . 1 . . . . 780 THR CB . 15775 1
438 . 1 1 110 110 THR N N 15 118.250 0.1 . 1 . . . . 780 THR N . 15775 1
439 . 1 1 111 111 LEU H H 1 8.2100 0.03 . 1 . . . . 781 LEU HN . 15775 1
440 . 1 1 111 111 LEU C C 13 178.164 0.2 . 1 . . . . 781 LEU C . 15775 1
441 . 1 1 111 111 LEU CA C 13 57.573 0.25 . 1 . . . . 781 LEU CA . 15775 1
442 . 1 1 111 111 LEU CB C 13 40.786 0.35 . 1 . . . . 781 LEU CB . 15775 1
443 . 1 1 111 111 LEU N N 15 122.404 0.1 . 1 . . . . 781 LEU N . 15775 1
444 . 1 1 112 112 ALA H H 1 8.1190 0.03 . 1 . . . . 782 ALA HN . 15775 1
445 . 1 1 112 112 ALA C C 13 179.617 0.2 . 1 . . . . 782 ALA C . 15775 1
446 . 1 1 112 112 ALA CA C 13 55.042 0.25 . 1 . . . . 782 ALA CA . 15775 1
447 . 1 1 112 112 ALA CB C 13 17.536 0.35 . 1 . . . . 782 ALA CB . 15775 1
448 . 1 1 112 112 ALA N N 15 120.878 0.1 . 1 . . . . 782 ALA N . 15775 1
449 . 1 1 113 113 ALA H H 1 7.9490 0.03 . 1 . . . . 783 ALA HN . 15775 1
450 . 1 1 113 113 ALA C C 13 180.058 0.2 . 1 . . . . 783 ALA C . 15775 1
451 . 1 1 113 113 ALA CA C 13 54.203 0.25 . 1 . . . . 783 ALA CA . 15775 1
452 . 1 1 113 113 ALA CB C 13 17.168 0.35 . 1 . . . . 783 ALA CB . 15775 1
453 . 1 1 113 113 ALA N N 15 119.564 0.1 . 1 . . . . 783 ALA N . 15775 1
454 . 1 1 114 114 ALA H H 1 7.7860 0.03 . 1 . . . . 784 ALA HN . 15775 1
455 . 1 1 114 114 ALA C C 13 180.166 0.2 . 1 . . . . 784 ALA C . 15775 1
456 . 1 1 114 114 ALA CA C 13 54.781 0.25 . 1 . . . . 784 ALA CA . 15775 1
457 . 1 1 114 114 ALA CB C 13 17.536 0.35 . 1 . . . . 784 ALA CB . 15775 1
458 . 1 1 114 114 ALA N N 15 121.226 0.1 . 1 . . . . 784 ALA N . 15775 1
459 . 1 1 115 115 LEU H H 1 7.9170 0.03 . 1 . . . . 785 LEU HN . 15775 1
460 . 1 1 115 115 LEU C C 13 178.768 0.2 . 1 . . . . 785 LEU C . 15775 1
461 . 1 1 115 115 LEU CA C 13 57.018 0.25 . 1 . . . . 785 LEU CA . 15775 1
462 . 1 1 115 115 LEU CB C 13 40.585 0.35 . 1 . . . . 785 LEU CB . 15775 1
463 . 1 1 115 115 LEU N N 15 118.399 0.1 . 1 . . . . 785 LEU N . 15775 1
464 . 1 1 116 116 GLU H H 1 7.8850 0.03 . 1 . . . . 786 GLU HN . 15775 1
465 . 1 1 116 116 GLU C C 13 177.959 0.2 . 1 . . . . 786 GLU C . 15775 1
466 . 1 1 116 116 GLU CA C 13 58.058 0.25 . 1 . . . . 786 GLU CA . 15775 1
467 . 1 1 116 116 GLU CB C 13 28.294 0.35 . 1 . . . . 786 GLU CB . 15775 1
468 . 1 1 116 116 GLU N N 15 119.043 0.1 . 1 . . . . 786 GLU N . 15775 1
469 . 1 1 117 117 HIS H H 1 7.9620 0.03 . 1 . . . . 787 HIS HN . 15775 1
470 . 1 1 117 117 HIS C C 13 175.625 0.2 . 1 . . . . 787 HIS C . 15775 1
471 . 1 1 117 117 HIS CA C 13 56.453 0.25 . 1 . . . . 787 HIS CA . 15775 1
472 . 1 1 117 117 HIS CB C 13 27.957 0.35 . 1 . . . . 787 HIS CB . 15775 1
473 . 1 1 117 117 HIS N N 15 116.253 0.1 . 1 . . . . 787 HIS N . 15775 1
474 . 1 1 118 118 HIS H H 1 7.8900 0.03 . 1 . . . . 788 HIS HN . 15775 1
475 . 1 1 118 118 HIS C C 13 176.170 0.2 . 1 . . . . 788 HIS C . 15775 1
476 . 1 1 118 118 HIS CA C 13 56.457 0.25 . 1 . . . . 788 HIS CA . 15775 1
477 . 1 1 118 118 HIS CB C 13 28.619 0.35 . 1 . . . . 788 HIS CB . 15775 1
478 . 1 1 118 118 HIS N N 15 117.326 0.1 . 1 . . . . 788 HIS N . 15775 1
479 . 1 1 119 119 HIS H H 1 8.1060 0.03 . 1 . . . . 789 HIS HN . 15775 1
480 . 1 1 119 119 HIS CA C 13 57.109 0.25 . 1 . . . . 789 HIS CA . 15775 1
481 . 1 1 119 119 HIS CB C 13 31.667 0.35 . 1 . . . . 789 HIS CB . 15775 1
482 . 1 1 119 119 HIS N N 15 120.928 0.1 . 1 . . . . 789 HIS N . 15775 1
stop_
save_