data_6081
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 6081
_Entry.Title
;
1H, 13C and 15N chemical shift assignment of fly troponin C
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2004-01-20
_Entry.Accession_date 2004-01-20
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 2.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 'Gian Felice' 'De Nicola' . . . 6081
2 Rolf Biekofsky . . . 6081
3 Bogos Agianian . . . 6081
4 Belinda Bullard . . . 6081
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 6081
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 903 6081
'13C chemical shifts' 590 6081
'15N chemical shifts' 171 6081
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2004-06-28 . update BMRB 'citation updated' 6081
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 6081
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 15213469
_Citation.Full_citation .
_Citation.Title
;
Letter to the Editor: 1H, 15N and 13C Resonances of Holo Isoform 4 of Lethocerus
Indicus Troponin C
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Biomol. NMR'
_Citation.Journal_name_full .
_Citation.Journal_volume 29
_Citation.Journal_issue 3
_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 461
_Citation.Page_last 462
_Citation.Year 2004
_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 'Gian Felice' 'De Nicola' . . . 6081 1
2 Rolf Biekofsky . . . 6081 1
3 Geoff Kelly . . . 6081 1
4 Bogos Agianian . . . 6081 1
5 Feng Qiu . . . 6081 1
6 Belinda Bullard . . . 6081 1
7 Annalisa Pastore . . . 6081 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'Trononin C' 6081 1
muscle 6081 1
EF-hands 6081 1
calcium 6081 1
Lethocerus 6081 1
stop_
save_
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 6081
_Citation.ID 2
_Citation.Class 'reference citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 12558500
_Citation.Full_citation
;
Qiu F, Lakey A, Agianian B, Hutchings A, Butcher GW, Labeit S, Leonard K,
Bullard B.
Troponin C in different insect muscle types: identification of two isoforms in
Lethocerus, Drosophila and Anopheles that are specific to asynchronous flight
muscle in the adult insect.
Biochem J. 2003 May 1; 371(Pt 3): 811-21.
;
_Citation.Title 'Troponin C in different insect muscle types: identification of two isoforms in Lethocerus, Drosophila and Anopheles that are specific to asynchronous flight muscle in the adult insect.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Biochem. J.'
_Citation.Journal_name_full 'The Biochemical journal'
_Citation.Journal_volume 371
_Citation.Journal_issue 'Pt 3'
_Citation.Journal_ASTM .
_Citation.Journal_ISSN 0264-6021
_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 811
_Citation.Page_last 821
_Citation.Year 2003
_Citation.Details
;
The indirect flight muscles (IFMs) of Lethocerus (giant water bug) and
Drosophila (fruitfly) are asynchronous: oscillatory contractions are produced
by periodic stretches in the presence of a Ca(2+) concentration that does not
fully activate the muscle. The troponin complex on thin filaments regulates
contraction in striated muscle. The complex in IFM has subunits that are
specific to this muscle type, and stretch activation may act through troponin.
Lethocerus and Drosophila have an unusual isoform of the Ca(2+)-binding subunit
of troponin, troponin C (TnC), with a single Ca(2+)-binding site near the
C-terminus (domain IV); this isoform is only in IFMs, together with a minor
isoform with an additional Ca(2+)-binding site in the N-terminal region (domain
II). Lethocerus has another TnC isoform in leg muscle which also has two
Ca(2+)-binding sites. Ca(2+) binds more strongly to domain IV than to domain II
in two-site isoforms. There are four isoforms in Drosophila and Anopheles
(malarial mosquito), three of which are also in adult Lethocerus. A larval
isoform has not been identified in Lethocerus. Different TnC isoforms are
expressed in the embryonic, larval, pupal and adult stages of Drosophila; the
expression of the two IFM isoforms is increased in the pupal stage.
Immunoelectron microscopy shows the distribution of the major IFM isoform with
one Ca(2+)-binding site is uniform along Lethocerus thin filaments. We suggest
that initial activation of IFM is by Ca(2+) binding to troponin with the
two-site TnC, and full activation is through the action of stretch on the
complex with the one-site isoform.
;
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 Feng Qiu F. . . 6081 2
2 Anne Lakey A. . . 6081 2
3 Bogos Agianian B. . . 6081 2
4 Amanda Hutchings A. . . 6081 2
5 'Geoffrey W' Butcher G. W. . 6081 2
6 Siegfried Labeit S. . . 6081 2
7 Kevin Leonard K. . . 6081 2
8 Belinda Bullard B. . . 6081 2
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_TnC
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_TnC
_Assembly.Entry_ID 6081
_Assembly.ID 1
_Assembly.Name 'troponin C'
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'not present'
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Assembly_type.Type
_Assembly_type.Entry_ID
_Assembly_type.Assembly_ID
monomer 6081 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 'TnC monomer' 1 $TnC_monomer . . . native . . . . . 6081 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
'troponin C' system 6081 1
TnC abbreviation 6081 1
stop_
loop_
_Assembly_bio_function.Biological_function
_Assembly_bio_function.Entry_ID
_Assembly_bio_function.Assembly_ID
'muscle contraction' 6081 1
'calcium binding' 6081 1
'asynchronous oscillatory contraction of fly wings' 6081 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_TnC_monomer
_Entity.Sf_category entity
_Entity.Sf_framecode TnC_monomer
_Entity.Entry_ID 6081
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'Troponin C'
_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
;
GAMGDVSKLSSNQVKLLETA
FRDFETPEGSGRVSTDQIGI
ILEVLGIQQTKSTIRQLIDE
FDPFGNGDIDFDSFKIIGAR
FLGEEVNPEQMQQELREAFR
LYDKEGNGYISTDVMREILA
ELDETLSSEDLDAMIDEIDA
DGSGTVDFEEFMGVMTGGDE
;
_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 160
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 17577.22
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details
;
This is the theoretical mass of the sequence without the two additional
residues (GA) added N-terminally for purification purposes.
;
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-01-28
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2JNF . "Solution Structure Of Fly Troponin C, Isoform F1" . . . . . 98.75 158 100.00 100.00 2.51e-105 . . . . 6081 1
2 no EMBL CAD55595 . "troponin C [Lethocerus indicus]" . . . . . 98.75 158 100.00 100.00 2.51e-105 . . . . 6081 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'Troponin C' common 6081 1
TnC abbreviation 6081 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 -2 GLY . 6081 1
2 -1 ALA . 6081 1
3 1 MET . 6081 1
4 2 GLY . 6081 1
5 3 ASP . 6081 1
6 4 VAL . 6081 1
7 5 SER . 6081 1
8 6 LYS . 6081 1
9 7 LEU . 6081 1
10 8 SER . 6081 1
11 9 SER . 6081 1
12 10 ASN . 6081 1
13 11 GLN . 6081 1
14 12 VAL . 6081 1
15 13 LYS . 6081 1
16 14 LEU . 6081 1
17 15 LEU . 6081 1
18 16 GLU . 6081 1
19 17 THR . 6081 1
20 18 ALA . 6081 1
21 19 PHE . 6081 1
22 20 ARG . 6081 1
23 21 ASP . 6081 1
24 22 PHE . 6081 1
25 23 GLU . 6081 1
26 24 THR . 6081 1
27 25 PRO . 6081 1
28 26 GLU . 6081 1
29 27 GLY . 6081 1
30 28 SER . 6081 1
31 29 GLY . 6081 1
32 30 ARG . 6081 1
33 31 VAL . 6081 1
34 32 SER . 6081 1
35 33 THR . 6081 1
36 34 ASP . 6081 1
37 35 GLN . 6081 1
38 36 ILE . 6081 1
39 37 GLY . 6081 1
40 38 ILE . 6081 1
41 39 ILE . 6081 1
42 40 LEU . 6081 1
43 41 GLU . 6081 1
44 42 VAL . 6081 1
45 43 LEU . 6081 1
46 44 GLY . 6081 1
47 45 ILE . 6081 1
48 46 GLN . 6081 1
49 47 GLN . 6081 1
50 48 THR . 6081 1
51 49 LYS . 6081 1
52 50 SER . 6081 1
53 51 THR . 6081 1
54 52 ILE . 6081 1
55 53 ARG . 6081 1
56 54 GLN . 6081 1
57 55 LEU . 6081 1
58 56 ILE . 6081 1
59 57 ASP . 6081 1
60 58 GLU . 6081 1
61 59 PHE . 6081 1
62 60 ASP . 6081 1
63 61 PRO . 6081 1
64 62 PHE . 6081 1
65 63 GLY . 6081 1
66 64 ASN . 6081 1
67 65 GLY . 6081 1
68 66 ASP . 6081 1
69 67 ILE . 6081 1
70 68 ASP . 6081 1
71 69 PHE . 6081 1
72 70 ASP . 6081 1
73 71 SER . 6081 1
74 72 PHE . 6081 1
75 73 LYS . 6081 1
76 74 ILE . 6081 1
77 75 ILE . 6081 1
78 76 GLY . 6081 1
79 77 ALA . 6081 1
80 78 ARG . 6081 1
81 79 PHE . 6081 1
82 80 LEU . 6081 1
83 81 GLY . 6081 1
84 82 GLU . 6081 1
85 83 GLU . 6081 1
86 84 VAL . 6081 1
87 85 ASN . 6081 1
88 86 PRO . 6081 1
89 87 GLU . 6081 1
90 88 GLN . 6081 1
91 89 MET . 6081 1
92 90 GLN . 6081 1
93 91 GLN . 6081 1
94 92 GLU . 6081 1
95 93 LEU . 6081 1
96 94 ARG . 6081 1
97 95 GLU . 6081 1
98 96 ALA . 6081 1
99 97 PHE . 6081 1
100 98 ARG . 6081 1
101 99 LEU . 6081 1
102 100 TYR . 6081 1
103 101 ASP . 6081 1
104 102 LYS . 6081 1
105 103 GLU . 6081 1
106 104 GLY . 6081 1
107 105 ASN . 6081 1
108 106 GLY . 6081 1
109 107 TYR . 6081 1
110 108 ILE . 6081 1
111 109 SER . 6081 1
112 110 THR . 6081 1
113 111 ASP . 6081 1
114 112 VAL . 6081 1
115 113 MET . 6081 1
116 114 ARG . 6081 1
117 115 GLU . 6081 1
118 116 ILE . 6081 1
119 117 LEU . 6081 1
120 118 ALA . 6081 1
121 119 GLU . 6081 1
122 120 LEU . 6081 1
123 121 ASP . 6081 1
124 122 GLU . 6081 1
125 123 THR . 6081 1
126 124 LEU . 6081 1
127 125 SER . 6081 1
128 126 SER . 6081 1
129 127 GLU . 6081 1
130 128 ASP . 6081 1
131 129 LEU . 6081 1
132 130 ASP . 6081 1
133 131 ALA . 6081 1
134 132 MET . 6081 1
135 133 ILE . 6081 1
136 134 ASP . 6081 1
137 135 GLU . 6081 1
138 136 ILE . 6081 1
139 137 ASP . 6081 1
140 138 ALA . 6081 1
141 139 ASP . 6081 1
142 140 GLY . 6081 1
143 141 SER . 6081 1
144 142 GLY . 6081 1
145 143 THR . 6081 1
146 144 VAL . 6081 1
147 145 ASP . 6081 1
148 146 PHE . 6081 1
149 147 GLU . 6081 1
150 148 GLU . 6081 1
151 149 PHE . 6081 1
152 150 MET . 6081 1
153 151 GLY . 6081 1
154 152 VAL . 6081 1
155 153 MET . 6081 1
156 154 THR . 6081 1
157 155 GLY . 6081 1
158 156 GLY . 6081 1
159 157 ASP . 6081 1
160 158 GLU . 6081 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 6081 1
. ALA 2 2 6081 1
. MET 3 3 6081 1
. GLY 4 4 6081 1
. ASP 5 5 6081 1
. VAL 6 6 6081 1
. SER 7 7 6081 1
. LYS 8 8 6081 1
. LEU 9 9 6081 1
. SER 10 10 6081 1
. SER 11 11 6081 1
. ASN 12 12 6081 1
. GLN 13 13 6081 1
. VAL 14 14 6081 1
. LYS 15 15 6081 1
. LEU 16 16 6081 1
. LEU 17 17 6081 1
. GLU 18 18 6081 1
. THR 19 19 6081 1
. ALA 20 20 6081 1
. PHE 21 21 6081 1
. ARG 22 22 6081 1
. ASP 23 23 6081 1
. PHE 24 24 6081 1
. GLU 25 25 6081 1
. THR 26 26 6081 1
. PRO 27 27 6081 1
. GLU 28 28 6081 1
. GLY 29 29 6081 1
. SER 30 30 6081 1
. GLY 31 31 6081 1
. ARG 32 32 6081 1
. VAL 33 33 6081 1
. SER 34 34 6081 1
. THR 35 35 6081 1
. ASP 36 36 6081 1
. GLN 37 37 6081 1
. ILE 38 38 6081 1
. GLY 39 39 6081 1
. ILE 40 40 6081 1
. ILE 41 41 6081 1
. LEU 42 42 6081 1
. GLU 43 43 6081 1
. VAL 44 44 6081 1
. LEU 45 45 6081 1
. GLY 46 46 6081 1
. ILE 47 47 6081 1
. GLN 48 48 6081 1
. GLN 49 49 6081 1
. THR 50 50 6081 1
. LYS 51 51 6081 1
. SER 52 52 6081 1
. THR 53 53 6081 1
. ILE 54 54 6081 1
. ARG 55 55 6081 1
. GLN 56 56 6081 1
. LEU 57 57 6081 1
. ILE 58 58 6081 1
. ASP 59 59 6081 1
. GLU 60 60 6081 1
. PHE 61 61 6081 1
. ASP 62 62 6081 1
. PRO 63 63 6081 1
. PHE 64 64 6081 1
. GLY 65 65 6081 1
. ASN 66 66 6081 1
. GLY 67 67 6081 1
. ASP 68 68 6081 1
. ILE 69 69 6081 1
. ASP 70 70 6081 1
. PHE 71 71 6081 1
. ASP 72 72 6081 1
. SER 73 73 6081 1
. PHE 74 74 6081 1
. LYS 75 75 6081 1
. ILE 76 76 6081 1
. ILE 77 77 6081 1
. GLY 78 78 6081 1
. ALA 79 79 6081 1
. ARG 80 80 6081 1
. PHE 81 81 6081 1
. LEU 82 82 6081 1
. GLY 83 83 6081 1
. GLU 84 84 6081 1
. GLU 85 85 6081 1
. VAL 86 86 6081 1
. ASN 87 87 6081 1
. PRO 88 88 6081 1
. GLU 89 89 6081 1
. GLN 90 90 6081 1
. MET 91 91 6081 1
. GLN 92 92 6081 1
. GLN 93 93 6081 1
. GLU 94 94 6081 1
. LEU 95 95 6081 1
. ARG 96 96 6081 1
. GLU 97 97 6081 1
. ALA 98 98 6081 1
. PHE 99 99 6081 1
. ARG 100 100 6081 1
. LEU 101 101 6081 1
. TYR 102 102 6081 1
. ASP 103 103 6081 1
. LYS 104 104 6081 1
. GLU 105 105 6081 1
. GLY 106 106 6081 1
. ASN 107 107 6081 1
. GLY 108 108 6081 1
. TYR 109 109 6081 1
. ILE 110 110 6081 1
. SER 111 111 6081 1
. THR 112 112 6081 1
. ASP 113 113 6081 1
. VAL 114 114 6081 1
. MET 115 115 6081 1
. ARG 116 116 6081 1
. GLU 117 117 6081 1
. ILE 118 118 6081 1
. LEU 119 119 6081 1
. ALA 120 120 6081 1
. GLU 121 121 6081 1
. LEU 122 122 6081 1
. ASP 123 123 6081 1
. GLU 124 124 6081 1
. THR 125 125 6081 1
. LEU 126 126 6081 1
. SER 127 127 6081 1
. SER 128 128 6081 1
. GLU 129 129 6081 1
. ASP 130 130 6081 1
. LEU 131 131 6081 1
. ASP 132 132 6081 1
. ALA 133 133 6081 1
. MET 134 134 6081 1
. ILE 135 135 6081 1
. ASP 136 136 6081 1
. GLU 137 137 6081 1
. ILE 138 138 6081 1
. ASP 139 139 6081 1
. ALA 140 140 6081 1
. ASP 141 141 6081 1
. GLY 142 142 6081 1
. SER 143 143 6081 1
. GLY 144 144 6081 1
. THR 145 145 6081 1
. VAL 146 146 6081 1
. ASP 147 147 6081 1
. PHE 148 148 6081 1
. GLU 149 149 6081 1
. GLU 150 150 6081 1
. PHE 151 151 6081 1
. MET 152 152 6081 1
. GLY 153 153 6081 1
. VAL 154 154 6081 1
. MET 155 155 6081 1
. THR 156 156 6081 1
. GLY 157 157 6081 1
. GLY 158 158 6081 1
. ASP 159 159 6081 1
. GLU 160 160 6081 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 6081
_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 $TnC_monomer . 212017 . . 'Lethocerus indicus' 'Lethocerus indicus' . . Eukaryota Metazoa Lethocerus indicus . . . . . . . . . . . . . . . . . . . . . 6081 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 6081
_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 $TnC_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . pet24d(M11) . . . . . .
;
pet24d(M11) vector containing an N-terminal hexahistidine tag followed by a TEV
protease cleavage site.
; . . 6081 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 6081
_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 'Troponin C' [U-15N] . . 1 $TnC_monomer . . 0.9 . . mM . . . . 6081 1
2 KCl . . . . . . . 100 . . mM . . . . 6081 1
3 CaCl(2) . . . . . . . 9 . . mM . . . . 6081 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 6081
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'Troponin C' '[U-13C; U-15N]' . . 1 $TnC_monomer . . 0.97 . . mM . . . . 6081 2
2 KCl . . . . . . . 100 . . mM . . . . 6081 2
3 CaCl(2) . . . . . . . 9 . . mM . . . . 6081 2
stop_
save_
#######################
# Sample conditions #
#######################
save_experimental_conditions
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode experimental_conditions
_Sample_condition_list.Entry_ID 6081
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 6.8 0.02 n/a 6081 1
temperature 298 1 K 6081 1
'ionic strength' 0.125 0.02 M 6081 1
pressure 997 10 mbar 6081 1
stop_
save_
############################
# Computer software used #
############################
save_XEASY
_Software.Sf_category software
_Software.Sf_framecode XEASY
_Software.Entry_ID 6081
_Software.ID 1
_Software.Name XEASY
_Software.Version .
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'peak assignments' 6081 1
stop_
save_
save_NMR_PIPE
_Software.Sf_category software
_Software.Sf_framecode NMR_PIPE
_Software.Entry_ID 6081
_Software.ID 2
_Software.Name 'NMR PIPE'
_Software.Version .
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'spectra processing' 6081 2
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 6081
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_2
_NMR_spectrometer.Entry_ID 6081
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_NMR_spectrometer_3
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_3
_NMR_spectrometer.Entry_ID 6081
_NMR_spectrometer.ID 3
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model UNITY
_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 6081
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 NMR_spectrometer_1 Varian INOVA . 600 . . . 6081 1
2 NMR_spectrometer_2 Varian INOVA . 500 . . . 6081 1
3 NMR_spectrometer_3 Varian UNITY . 600 . . . 6081 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 6081
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1
2 '15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1
3 '15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1
4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1
5 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1
6 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1
7 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1
8 CCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1
9 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1
10 HCCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1
11 13C-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 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 6081
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name '15N HSQC'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_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 6081
_NMR_spec_expt.ID 2
_NMR_spec_expt.Name '15N NOESY-HSQC'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
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 6081
_NMR_spec_expt.ID 3
_NMR_spec_expt.Name '15N TOCSY-HSQC'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_4
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4
_NMR_spec_expt.Entry_ID 6081
_NMR_spec_expt.ID 4
_NMR_spec_expt.Name HNCO
_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_5
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5
_NMR_spec_expt.Entry_ID 6081
_NMR_spec_expt.ID 5
_NMR_spec_expt.Name HNCA
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_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_6
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6
_NMR_spec_expt.Entry_ID 6081
_NMR_spec_expt.ID 6
_NMR_spec_expt.Name CBCANH
_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_7
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7
_NMR_spec_expt.Entry_ID 6081
_NMR_spec_expt.ID 7
_NMR_spec_expt.Name CBCACONH
_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_8
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8
_NMR_spec_expt.Entry_ID 6081
_NMR_spec_expt.ID 8
_NMR_spec_expt.Name CCONH
_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_9
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9
_NMR_spec_expt.Entry_ID 6081
_NMR_spec_expt.ID 9
_NMR_spec_expt.Name HCCH-TOCSY
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_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_10
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10
_NMR_spec_expt.Entry_ID 6081
_NMR_spec_expt.ID 10
_NMR_spec_expt.Name HCCONH
_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_11
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11
_NMR_spec_expt.Entry_ID 6081
_NMR_spec_expt.ID 11
_NMR_spec_expt.Name 13C-HSQC
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference
_Chem_shift_reference.Entry_ID 6081
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6081 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6081 1
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6081 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_SHIFT_SET_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode SHIFT_SET_1
_Assigned_chem_shift_list.Entry_ID 6081
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $experimental_conditions
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details
;
Some unassigned signals were observed that may correspond to some degradation
species.
;
_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 . 6081 1
. . 2 $sample_2 . 6081 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 MET N N 15 118.986 0.000 . 1 . . . . . . . . 6081 1
2 . 1 1 3 3 MET H H 1 8.605 0.000 . 1 . . . . . . . . 6081 1
3 . 1 1 3 3 MET CA C 13 55.958 0.000 . 1 . . . . . . . . 6081 1
4 . 1 1 3 3 MET HA H 1 4.399 0.015 . 1 . . . . . . . . 6081 1
5 . 1 1 3 3 MET CB C 13 32.243 0.000 . 1 . . . . . . . . 6081 1
6 . 1 1 3 3 MET HB2 H 1 2.101 0.021 . 1 . . . . . . . . 6081 1
7 . 1 1 3 3 MET HG2 H 1 2.577 0.000 . 1 . . . . . . . . 6081 1
8 . 1 1 3 3 MET C C 13 176.837 0.000 . 1 . . . . . . . . 6081 1
9 . 1 1 4 4 GLY N N 15 108.732 0.000 . 1 . . . . . . . . 6081 1
10 . 1 1 4 4 GLY H H 1 8.168 0.000 . 1 . . . . . . . . 6081 1
11 . 1 1 4 4 GLY CA C 13 45.695 0.000 . 1 . . . . . . . . 6081 1
12 . 1 1 4 4 GLY HA2 H 1 3.973 0.002 . 1 . . . . . . . . 6081 1
13 . 1 1 4 4 GLY HA3 H 1 3.673 0.001 . 1 . . . . . . . . 6081 1
14 . 1 1 4 4 GLY C C 13 173.181 0.000 . 1 . . . . . . . . 6081 1
15 . 1 1 5 5 ASP N N 15 120.542 0.000 . 1 . . . . . . . . 6081 1
16 . 1 1 5 5 ASP H H 1 7.907 0.000 . 1 . . . . . . . . 6081 1
17 . 1 1 5 5 ASP CA C 13 53.642 0.000 . 1 . . . . . . . . 6081 1
18 . 1 1 5 5 ASP HA H 1 4.667 0.004 . 1 . . . . . . . . 6081 1
19 . 1 1 5 5 ASP CB C 13 41.844 0.000 . 1 . . . . . . . . 6081 1
20 . 1 1 5 5 ASP HB2 H 1 2.725 0.000 . 1 . . . . . . . . 6081 1
21 . 1 1 5 5 ASP HB3 H 1 2.586 0.001 . 1 . . . . . . . . 6081 1
22 . 1 1 5 5 ASP C C 13 176.944 0.000 . 1 . . . . . . . . 6081 1
23 . 1 1 6 6 VAL N N 15 122.019 0.000 . 1 . . . . . . . . 6081 1
24 . 1 1 6 6 VAL H H 1 8.418 0.000 . 1 . . . . . . . . 6081 1
25 . 1 1 6 6 VAL CA C 13 63.726 0.000 . 1 . . . . . . . . 6081 1
26 . 1 1 6 6 VAL HA H 1 3.788 0.002 . 1 . . . . . . . . 6081 1
27 . 1 1 6 6 VAL CB C 13 32.172 0.000 . 1 . . . . . . . . 6081 1
28 . 1 1 6 6 VAL HB H 1 2.069 0.003 . 1 . . . . . . . . 6081 1
29 . 1 1 6 6 VAL CG1 C 13 21.313 0.000 . 1 . . . . . . . . 6081 1
30 . 1 1 6 6 VAL CG2 C 13 21.313 0.000 . 1 . . . . . . . . 6081 1
31 . 1 1 6 6 VAL HG21 H 1 0.891 0.004 . 1 . . . . . . . . 6081 1
32 . 1 1 6 6 VAL HG22 H 1 0.891 0.004 . 1 . . . . . . . . 6081 1
33 . 1 1 6 6 VAL HG23 H 1 0.891 0.004 . 1 . . . . . . . . 6081 1
34 . 1 1 6 6 VAL C C 13 177.051 0.000 . 1 . . . . . . . . 6081 1
35 . 1 1 7 7 SER N N 15 117.802 0.000 . 1 . . . . . . . . 6081 1
36 . 1 1 7 7 SER H H 1 8.429 0.000 . 1 . . . . . . . . 6081 1
37 . 1 1 7 7 SER CA C 13 60.340 0.000 . 1 . . . . . . . . 6081 1
38 . 1 1 7 7 SER HA H 1 4.287 0.002 . 1 . . . . . . . . 6081 1
39 . 1 1 7 7 SER CB C 13 63.558 0.000 . 1 . . . . . . . . 6081 1
40 . 1 1 7 7 SER HB2 H 1 3.901 0.000 . 1 . . . . . . . . 6081 1
41 . 1 1 7 7 SER C C 13 174.804 0.000 . 1 . . . . . . . . 6081 1
42 . 1 1 8 8 LYS N N 15 120.501 0.000 . 1 . . . . . . . . 6081 1
43 . 1 1 8 8 LYS H H 1 7.782 0.000 . 1 . . . . . . . . 6081 1
44 . 1 1 8 8 LYS CA C 13 55.863 0.000 . 1 . . . . . . . . 6081 1
45 . 1 1 8 8 LYS HA H 1 4.326 0.006 . 1 . . . . . . . . 6081 1
46 . 1 1 8 8 LYS CB C 13 32.384 0.000 . 1 . . . . . . . . 6081 1
47 . 1 1 8 8 LYS HB2 H 1 1.988 0.005 . 1 . . . . . . . . 6081 1
48 . 1 1 8 8 LYS HB3 H 1 1.807 0.003 . 1 . . . . . . . . 6081 1
49 . 1 1 8 8 LYS CG C 13 21.311 0.000 . 1 . . . . . . . . 6081 1
50 . 1 1 8 8 LYS HG2 H 1 1.371 0.008 . 1 . . . . . . . . 6081 1
51 . 1 1 8 8 LYS CD C 13 29.763 0.000 . 1 . . . . . . . . 6081 1
52 . 1 1 8 8 LYS HD2 H 1 1.658 0.007 . 1 . . . . . . . . 6081 1
53 . 1 1 8 8 LYS HE2 H 1 2.950 0.000 . 1 . . . . . . . . 6081 1
54 . 1 1 8 8 LYS C C 13 176.906 0.000 . 1 . . . . . . . . 6081 1
55 . 1 1 9 9 LEU N N 15 120.079 0.000 . 1 . . . . . . . . 6081 1
56 . 1 1 9 9 LEU H H 1 7.295 0.000 . 1 . . . . . . . . 6081 1
57 . 1 1 9 9 LEU CA C 13 54.632 0.000 . 1 . . . . . . . . 6081 1
58 . 1 1 9 9 LEU HA H 1 4.475 0.007 . 1 . . . . . . . . 6081 1
59 . 1 1 9 9 LEU CB C 13 43.609 0.000 . 1 . . . . . . . . 6081 1
60 . 1 1 9 9 LEU HB2 H 1 1.741 0.011 . 1 . . . . . . . . 6081 1
61 . 1 1 9 9 LEU HB3 H 1 1.377 0.013 . 1 . . . . . . . . 6081 1
62 . 1 1 9 9 LEU CG C 13 26.800 0.000 . 1 . . . . . . . . 6081 1
63 . 1 1 9 9 LEU HG H 1 1.786 0.020 . 1 . . . . . . . . 6081 1
64 . 1 1 9 9 LEU HD11 H 1 0.784 0.009 . 1 . . . . . . . . 6081 1
65 . 1 1 9 9 LEU HD12 H 1 0.784 0.009 . 1 . . . . . . . . 6081 1
66 . 1 1 9 9 LEU HD13 H 1 0.784 0.009 . 1 . . . . . . . . 6081 1
67 . 1 1 9 9 LEU HD21 H 1 0.686 0.002 . 1 . . . . . . . . 6081 1
68 . 1 1 9 9 LEU HD22 H 1 0.686 0.002 . 1 . . . . . . . . 6081 1
69 . 1 1 9 9 LEU HD23 H 1 0.686 0.002 . 1 . . . . . . . . 6081 1
70 . 1 1 9 9 LEU C C 13 177.550 0.000 . 1 . . . . . . . . 6081 1
71 . 1 1 10 10 SER N N 15 120.678 0.000 . 1 . . . . . . . . 6081 1
72 . 1 1 10 10 SER H H 1 9.228 0.000 . 1 . . . . . . . . 6081 1
73 . 1 1 10 10 SER CA C 13 56.876 0.000 . 1 . . . . . . . . 6081 1
74 . 1 1 10 10 SER HA H 1 4.600 0.000 . 1 . . . . . . . . 6081 1
75 . 1 1 10 10 SER CB C 13 65.635 0.000 . 1 . . . . . . . . 6081 1
76 . 1 1 10 10 SER HB2 H 1 4.460 0.000 . 1 . . . . . . . . 6081 1
77 . 1 1 10 10 SER C C 13 175.352 0.000 . 1 . . . . . . . . 6081 1
78 . 1 1 11 11 SER N N 15 116.966 0.000 . 1 . . . . . . . . 6081 1
79 . 1 1 11 11 SER H H 1 9.145 0.000 . 1 . . . . . . . . 6081 1
80 . 1 1 11 11 SER HA H 1 4.150 0.000 . 1 . . . . . . . . 6081 1
81 . 1 1 11 11 SER HB2 H 1 3.960 0.000 . 1 . . . . . . . . 6081 1
82 . 1 1 12 12 ASN CA C 13 56.310 0.000 . 1 . . . . . . . . 6081 1
83 . 1 1 12 12 ASN CB C 13 38.590 0.000 . 1 . . . . . . . . 6081 1
84 . 1 1 12 12 ASN ND2 N 15 114.042 0.002 . 1 . . . . . . . . 6081 1
85 . 1 1 12 12 ASN HD21 H 1 7.965 0.000 . 1 . . . . . . . . 6081 1
86 . 1 1 12 12 ASN HD22 H 1 7.015 0.000 . 1 . . . . . . . . 6081 1
87 . 1 1 12 12 ASN C C 13 177.997 0.000 . 1 . . . . . . . . 6081 1
88 . 1 1 13 13 GLN N N 15 120.702 0.000 . 1 . . . . . . . . 6081 1
89 . 1 1 13 13 GLN H H 1 7.990 0.000 . 1 . . . . . . . . 6081 1
90 . 1 1 13 13 GLN CA C 13 59.490 0.000 . 1 . . . . . . . . 6081 1
91 . 1 1 13 13 GLN HA H 1 4.155 0.006 . 1 . . . . . . . . 6081 1
92 . 1 1 13 13 GLN CB C 13 29.441 0.000 . 1 . . . . . . . . 6081 1
93 . 1 1 13 13 GLN HB2 H 1 2.217 0.060 . 1 . . . . . . . . 6081 1
94 . 1 1 13 13 GLN CG C 13 36.097 0.000 . 1 . . . . . . . . 6081 1
95 . 1 1 13 13 GLN HG2 H 1 2.507 0.005 . 1 . . . . . . . . 6081 1
96 . 1 1 13 13 GLN C C 13 178.228 0.000 . 1 . . . . . . . . 6081 1
97 . 1 1 14 14 VAL N N 15 119.358 0.000 . 1 . . . . . . . . 6081 1
98 . 1 1 14 14 VAL H H 1 8.442 0.000 . 1 . . . . . . . . 6081 1
99 . 1 1 14 14 VAL CA C 13 68.489 0.000 . 1 . . . . . . . . 6081 1
100 . 1 1 14 14 VAL HA H 1 3.543 0.005 . 1 . . . . . . . . 6081 1
101 . 1 1 14 14 VAL CB C 13 31.456 0.000 . 1 . . . . . . . . 6081 1
102 . 1 1 14 14 VAL HB H 1 2.183 0.007 . 1 . . . . . . . . 6081 1
103 . 1 1 14 14 VAL HG11 H 1 1.057 0.003 . 1 . . . . . . . . 6081 1
104 . 1 1 14 14 VAL HG12 H 1 1.057 0.003 . 1 . . . . . . . . 6081 1
105 . 1 1 14 14 VAL HG13 H 1 1.057 0.003 . 1 . . . . . . . . 6081 1
106 . 1 1 14 14 VAL HG21 H 1 1.032 0.003 . 1 . . . . . . . . 6081 1
107 . 1 1 14 14 VAL HG22 H 1 1.032 0.003 . 1 . . . . . . . . 6081 1
108 . 1 1 14 14 VAL HG23 H 1 1.032 0.003 . 1 . . . . . . . . 6081 1
109 . 1 1 14 14 VAL CG1 C 13 21.848 0.000 . 1 . . . . . . . . 6081 1
110 . 1 1 14 14 VAL CG2 C 13 24.065 0.000 . 1 . . . . . . . . 6081 1
111 . 1 1 14 14 VAL C C 13 177.702 0.000 . 1 . . . . . . . . 6081 1
112 . 1 1 15 15 LYS N N 15 119.372 0.000 . 1 . . . . . . . . 6081 1
113 . 1 1 15 15 LYS H H 1 7.781 0.000 . 1 . . . . . . . . 6081 1
114 . 1 1 15 15 LYS CA C 13 59.369 0.000 . 1 . . . . . . . . 6081 1
115 . 1 1 15 15 LYS HA H 1 4.242 0.007 . 1 . . . . . . . . 6081 1
116 . 1 1 15 15 LYS CB C 13 31.664 0.000 . 1 . . . . . . . . 6081 1
117 . 1 1 15 15 LYS HB2 H 1 1.986 0.005 . 1 . . . . . . . . 6081 1
118 . 1 1 15 15 LYS CG C 13 24.612 0.000 . 1 . . . . . . . . 6081 1
119 . 1 1 15 15 LYS HG2 H 1 1.509 0.005 . 1 . . . . . . . . 6081 1
120 . 1 1 15 15 LYS CD C 13 28.987 0.000 . 1 . . . . . . . . 6081 1
121 . 1 1 15 15 LYS HD2 H 1 1.728 0.004 . 1 . . . . . . . . 6081 1
122 . 1 1 15 15 LYS HE2 H 1 3.014 0.030 . 1 . . . . . . . . 6081 1
123 . 1 1 15 15 LYS C C 13 179.566 0.000 . 1 . . . . . . . . 6081 1
124 . 1 1 16 16 LEU N N 15 122.469 0.000 . 1 . . . . . . . . 6081 1
125 . 1 1 16 16 LEU H H 1 7.992 0.000 . 1 . . . . . . . . 6081 1
126 . 1 1 16 16 LEU CA C 13 58.665 0.000 . 1 . . . . . . . . 6081 1
127 . 1 1 16 16 LEU CB C 13 41.947 0.000 . 1 . . . . . . . . 6081 1
128 . 1 1 16 16 LEU C C 13 176.700 0.000 . 1 . . . . . . . . 6081 1
129 . 1 1 17 17 LEU N N 15 118.910 0.000 . 1 . . . . . . . . 6081 1
130 . 1 1 17 17 LEU H H 1 8.182 0.000 . 1 . . . . . . . . 6081 1
131 . 1 1 17 17 LEU CA C 13 58.625 0.055 . 1 . . . . . . . . 6081 1
132 . 1 1 17 17 LEU HA H 1 4.270 0.010 . 1 . . . . . . . . 6081 1
133 . 1 1 17 17 LEU CB C 13 41.849 0.097 . 1 . . . . . . . . 6081 1
134 . 1 1 17 17 LEU HB2 H 1 2.368 0.005 . 1 . . . . . . . . 6081 1
135 . 1 1 17 17 LEU HB3 H 1 1.599 0.002 . 1 . . . . . . . . 6081 1
136 . 1 1 17 17 LEU HG H 1 2.069 0.007 . 1 . . . . . . . . 6081 1
137 . 1 1 17 17 LEU HD11 H 1 0.756 0.003 . 1 . . . . . . . . 6081 1
138 . 1 1 17 17 LEU HD12 H 1 0.756 0.003 . 1 . . . . . . . . 6081 1
139 . 1 1 17 17 LEU HD13 H 1 0.756 0.003 . 1 . . . . . . . . 6081 1
140 . 1 1 17 17 LEU HD21 H 1 0.730 0.003 . 1 . . . . . . . . 6081 1
141 . 1 1 17 17 LEU HD22 H 1 0.730 0.003 . 1 . . . . . . . . 6081 1
142 . 1 1 17 17 LEU HD23 H 1 0.730 0.003 . 1 . . . . . . . . 6081 1
143 . 1 1 17 17 LEU CD1 C 13 27.894 0.000 . 1 . . . . . . . . 6081 1
144 . 1 1 17 17 LEU C C 13 178.728 0.000 . 1 . . . . . . . . 6081 1
145 . 1 1 18 18 GLU N N 15 119.928 0.000 . 1 . . . . . . . . 6081 1
146 . 1 1 18 18 GLU H H 1 9.091 0.000 . 1 . . . . . . . . 6081 1
147 . 1 1 18 18 GLU CA C 13 60.144 0.000 . 1 . . . . . . . . 6081 1
148 . 1 1 18 18 GLU HA H 1 3.743 0.007 . 1 . . . . . . . . 6081 1
149 . 1 1 18 18 GLU CB C 13 30.055 0.000 . 1 . . . . . . . . 6081 1
150 . 1 1 18 18 GLU HB2 H 1 2.047 0.008 . 1 . . . . . . . . 6081 1
151 . 1 1 18 18 GLU CG C 13 36.644 0.000 . 1 . . . . . . . . 6081 1
152 . 1 1 18 18 GLU HG2 H 1 2.345 0.004 . 1 . . . . . . . . 6081 1
153 . 1 1 18 18 GLU C C 13 178.710 0.000 . 1 . . . . . . . . 6081 1
154 . 1 1 19 19 THR N N 15 115.092 0.000 . 1 . . . . . . . . 6081 1
155 . 1 1 19 19 THR H H 1 8.380 0.000 . 1 . . . . . . . . 6081 1
156 . 1 1 19 19 THR CA C 13 66.726 0.000 . 1 . . . . . . . . 6081 1
157 . 1 1 19 19 THR HA H 1 4.333 0.027 . 1 . . . . . . . . 6081 1
158 . 1 1 19 19 THR CB C 13 69.377 0.000 . 1 . . . . . . . . 6081 1
159 . 1 1 19 19 THR HB H 1 3.844 0.003 . 1 . . . . . . . . 6081 1
160 . 1 1 19 19 THR HG21 H 1 1.317 0.016 . 1 . . . . . . . . 6081 1
161 . 1 1 19 19 THR HG22 H 1 1.317 0.016 . 1 . . . . . . . . 6081 1
162 . 1 1 19 19 THR HG23 H 1 1.317 0.016 . 1 . . . . . . . . 6081 1
163 . 1 1 19 19 THR CG2 C 13 21.581 0.000 . 1 . . . . . . . . 6081 1
164 . 1 1 19 19 THR C C 13 177.047 0.000 . 1 . . . . . . . . 6081 1
165 . 1 1 20 20 ALA N N 15 122.215 0.000 . 1 . . . . . . . . 6081 1
166 . 1 1 20 20 ALA H H 1 7.737 0.000 . 1 . . . . . . . . 6081 1
167 . 1 1 20 20 ALA CA C 13 55.074 0.000 . 1 . . . . . . . . 6081 1
168 . 1 1 20 20 ALA HA H 1 4.392 0.006 . 1 . . . . . . . . 6081 1
169 . 1 1 20 20 ALA HB1 H 1 1.598 0.004 . 1 . . . . . . . . 6081 1
170 . 1 1 20 20 ALA HB2 H 1 1.598 0.004 . 1 . . . . . . . . 6081 1
171 . 1 1 20 20 ALA HB3 H 1 1.598 0.004 . 1 . . . . . . . . 6081 1
172 . 1 1 20 20 ALA CB C 13 18.580 0.000 . 1 . . . . . . . . 6081 1
173 . 1 1 20 20 ALA C C 13 178.478 0.000 . 1 . . . . . . . . 6081 1
174 . 1 1 21 21 PHE N N 15 116.831 0.000 . 1 . . . . . . . . 6081 1
175 . 1 1 21 21 PHE H H 1 8.413 0.000 . 1 . . . . . . . . 6081 1
176 . 1 1 21 21 PHE CA C 13 62.305 0.000 . 1 . . . . . . . . 6081 1
177 . 1 1 21 21 PHE HA H 1 3.547 0.003 . 1 . . . . . . . . 6081 1
178 . 1 1 21 21 PHE CB C 13 40.432 0.000 . 1 . . . . . . . . 6081 1
179 . 1 1 21 21 PHE HB2 H 1 3.035 0.015 . 1 . . . . . . . . 6081 1
180 . 1 1 21 21 PHE CD1 C 13 132.075 0.000 . 1 . . . . . . . . 6081 1
181 . 1 1 21 21 PHE CE1 C 13 131.292 0.000 . 1 . . . . . . . . 6081 1
182 . 1 1 21 21 PHE CZ C 13 129.727 0.000 . 1 . . . . . . . . 6081 1
183 . 1 1 21 21 PHE HZ H 1 7.276 0.007 . 1 . . . . . . . . 6081 1
184 . 1 1 21 21 PHE HD1 H 1 6.488 0.002 . 1 . . . . . . . . 6081 1
185 . 1 1 21 21 PHE HE1 H 1 6.886 0.003 . 1 . . . . . . . . 6081 1
186 . 1 1 21 21 PHE C C 13 177.533 0.000 . 1 . . . . . . . . 6081 1
187 . 1 1 22 22 ARG N N 15 115.475 0.000 . 1 . . . . . . . . 6081 1
188 . 1 1 22 22 ARG H H 1 8.206 0.000 . 1 . . . . . . . . 6081 1
189 . 1 1 22 22 ARG CA C 13 58.871 0.000 . 1 . . . . . . . . 6081 1
190 . 1 1 22 22 ARG HA H 1 4.072 0.063 . 1 . . . . . . . . 6081 1
191 . 1 1 22 22 ARG CB C 13 29.560 0.000 . 1 . . . . . . . . 6081 1
192 . 1 1 22 22 ARG HB2 H 1 2.000 0.002 . 1 . . . . . . . . 6081 1
193 . 1 1 22 22 ARG CG C 13 27.838 0.000 . 1 . . . . . . . . 6081 1
194 . 1 1 22 22 ARG HG2 H 1 1.755 0.000 . 1 . . . . . . . . 6081 1
195 . 1 1 22 22 ARG CD C 13 43.453 0.000 . 1 . . . . . . . . 6081 1
196 . 1 1 22 22 ARG HD2 H 1 3.212 0.000 . 1 . . . . . . . . 6081 1
197 . 1 1 22 22 ARG NE N 15 125.022 0.000 . 1 . . . . . . . . 6081 1
198 . 1 1 22 22 ARG HE H 1 7.300 0.000 . 1 . . . . . . . . 6081 1
199 . 1 1 22 22 ARG C C 13 178.835 0.000 . 1 . . . . . . . . 6081 1
200 . 1 1 23 23 ASP N N 15 117.879 0.000 . 1 . . . . . . . . 6081 1
201 . 1 1 23 23 ASP H H 1 7.594 0.000 . 1 . . . . . . . . 6081 1
202 . 1 1 23 23 ASP CA C 13 56.400 0.000 . 1 . . . . . . . . 6081 1
203 . 1 1 23 23 ASP HA H 1 4.423 0.008 . 1 . . . . . . . . 6081 1
204 . 1 1 23 23 ASP CB C 13 40.644 0.000 . 1 . . . . . . . . 6081 1
205 . 1 1 23 23 ASP HB2 H 1 2.854 0.012 . 1 . . . . . . . . 6081 1
206 . 1 1 23 23 ASP HB3 H 1 2.323 0.010 . 1 . . . . . . . . 6081 1
207 . 1 1 23 23 ASP C C 13 177.128 0.000 . 1 . . . . . . . . 6081 1
208 . 1 1 24 24 PHE N N 15 116.541 0.000 . 1 . . . . . . . . 6081 1
209 . 1 1 24 24 PHE H H 1 7.539 0.000 . 1 . . . . . . . . 6081 1
210 . 1 1 24 24 PHE CA C 13 58.326 0.000 . 1 . . . . . . . . 6081 1
211 . 1 1 24 24 PHE HA H 1 4.383 0.035 . 1 . . . . . . . . 6081 1
212 . 1 1 24 24 PHE CB C 13 40.856 0.000 . 1 . . . . . . . . 6081 1
213 . 1 1 24 24 PHE HB2 H 1 3.083 0.010 . 1 . . . . . . . . 6081 1
214 . 1 1 24 24 PHE HB3 H 1 2.407 0.009 . 1 . . . . . . . . 6081 1
215 . 1 1 24 24 PHE CD1 C 13 132.597 0.000 . 1 . . . . . . . . 6081 1
216 . 1 1 24 24 PHE CE1 C 13 131.292 0.000 . 1 . . . . . . . . 6081 1
217 . 1 1 24 24 PHE CZ C 13 129.466 0.000 . 1 . . . . . . . . 6081 1
218 . 1 1 24 24 PHE HZ H 1 7.170 0.002 . 1 . . . . . . . . 6081 1
219 . 1 1 24 24 PHE HD1 H 1 7.503 0.003 . 1 . . . . . . . . 6081 1
220 . 1 1 24 24 PHE HE1 H 1 7.316 0.004 . 1 . . . . . . . . 6081 1
221 . 1 1 24 24 PHE C C 13 175.050 0.000 . 1 . . . . . . . . 6081 1
222 . 1 1 25 25 GLU N N 15 125.335 0.000 . 1 . . . . . . . . 6081 1
223 . 1 1 25 25 GLU H H 1 7.286 0.000 . 1 . . . . . . . . 6081 1
224 . 1 1 25 25 GLU CA C 13 57.474 0.000 . 1 . . . . . . . . 6081 1
225 . 1 1 25 25 GLU HA H 1 4.014 0.013 . 1 . . . . . . . . 6081 1
226 . 1 1 25 25 GLU CB C 13 30.549 0.000 . 1 . . . . . . . . 6081 1
227 . 1 1 25 25 GLU HB2 H 1 1.914 0.012 . 1 . . . . . . . . 6081 1
228 . 1 1 25 25 GLU HB3 H 1 2.011 0.006 . 1 . . . . . . . . 6081 1
229 . 1 1 25 25 GLU CG C 13 36.542 0.000 . 1 . . . . . . . . 6081 1
230 . 1 1 25 25 GLU HG2 H 1 2.279 0.008 . 1 . . . . . . . . 6081 1
231 . 1 1 25 25 GLU C C 13 176.281 0.000 . 1 . . . . . . . . 6081 1
232 . 1 1 26 26 THR N N 15 118.703 0.000 . 1 . . . . . . . . 6081 1
233 . 1 1 26 26 THR H H 1 8.267 0.000 . 1 . . . . . . . . 6081 1
234 . 1 1 26 26 THR CA C 13 58.802 0.000 . 1 . . . . . . . . 6081 1
235 . 1 1 26 26 THR HA H 1 4.526 0.003 . 1 . . . . . . . . 6081 1
236 . 1 1 26 26 THR CB C 13 72.412 0.000 . 1 . . . . . . . . 6081 1
237 . 1 1 26 26 THR HB H 1 4.029 0.002 . 1 . . . . . . . . 6081 1
238 . 1 1 26 26 THR HG21 H 1 1.195 0.000 . 1 . . . . . . . . 6081 1
239 . 1 1 26 26 THR HG22 H 1 1.195 0.000 . 1 . . . . . . . . 6081 1
240 . 1 1 26 26 THR HG23 H 1 1.195 0.000 . 1 . . . . . . . . 6081 1
241 . 1 1 27 27 PRO CA C 13 63.695 0.000 . 1 . . . . . . . . 6081 1
242 . 1 1 27 27 PRO HA H 1 4.914 0.002 . 1 . . . . . . . . 6081 1
243 . 1 1 27 27 PRO CB C 13 34.791 0.000 . 1 . . . . . . . . 6081 1
244 . 1 1 27 27 PRO HB2 H 1 2.525 0.005 . 1 . . . . . . . . 6081 1
245 . 1 1 27 27 PRO HB3 H 1 2.118 0.006 . 1 . . . . . . . . 6081 1
246 . 1 1 27 27 PRO HG2 H 1 1.977 0.001 . 1 . . . . . . . . 6081 1
247 . 1 1 27 27 PRO HG3 H 1 1.811 0.000 . 1 . . . . . . . . 6081 1
248 . 1 1 27 27 PRO HD2 H 1 3.507 0.001 . 1 . . . . . . . . 6081 1
249 . 1 1 27 27 PRO HD3 H 1 3.573 0.003 . 1 . . . . . . . . 6081 1
250 . 1 1 27 27 PRO C C 13 176.570 0.000 . 1 . . . . . . . . 6081 1
251 . 1 1 28 28 GLU N N 15 122.249 0.000 . 1 . . . . . . . . 6081 1
252 . 1 1 28 28 GLU H H 1 8.913 0.000 . 1 . . . . . . . . 6081 1
253 . 1 1 28 28 GLU CA C 13 58.905 0.000 . 1 . . . . . . . . 6081 1
254 . 1 1 28 28 GLU HA H 1 3.978 0.038 . 1 . . . . . . . . 6081 1
255 . 1 1 28 28 GLU CB C 13 29.491 0.000 . 1 . . . . . . . . 6081 1
256 . 1 1 28 28 GLU HB2 H 1 2.115 0.043 . 1 . . . . . . . . 6081 1
257 . 1 1 28 28 GLU HB3 H 1 2.297 0.012 . 1 . . . . . . . . 6081 1
258 . 1 1 28 28 GLU CG C 13 36.542 0.000 . 1 . . . . . . . . 6081 1
259 . 1 1 28 28 GLU HG2 H 1 2.413 0.014 . 1 . . . . . . . . 6081 1
260 . 1 1 28 28 GLU C C 13 177.889 0.000 . 1 . . . . . . . . 6081 1
261 . 1 1 29 29 GLY N N 15 113.826 0.000 . 1 . . . . . . . . 6081 1
262 . 1 1 29 29 GLY H H 1 8.606 0.000 . 1 . . . . . . . . 6081 1
263 . 1 1 29 29 GLY CA C 13 45.916 0.000 . 1 . . . . . . . . 6081 1
264 . 1 1 29 29 GLY HA2 H 1 4.170 0.000 . 1 . . . . . . . . 6081 1
265 . 1 1 29 29 GLY HA3 H 1 3.877 0.001 . 1 . . . . . . . . 6081 1
266 . 1 1 29 29 GLY C C 13 175.375 0.000 . 1 . . . . . . . . 6081 1
267 . 1 1 30 30 SER N N 15 114.920 0.000 . 1 . . . . . . . . 6081 1
268 . 1 1 30 30 SER H H 1 7.945 0.000 . 1 . . . . . . . . 6081 1
269 . 1 1 30 30 SER CA C 13 59.903 0.000 . 1 . . . . . . . . 6081 1
270 . 1 1 30 30 SER HA H 1 4.152 0.002 . 1 . . . . . . . . 6081 1
271 . 1 1 30 30 SER CB C 13 65.141 0.000 . 1 . . . . . . . . 6081 1
272 . 1 1 30 30 SER HB2 H 1 3.974 0.020 . 1 . . . . . . . . 6081 1
273 . 1 1 30 30 SER HB3 H 1 3.797 0.007 . 1 . . . . . . . . 6081 1
274 . 1 1 30 30 SER C C 13 176.480 0.000 . 1 . . . . . . . . 6081 1
275 . 1 1 31 31 GLY N N 15 113.212 0.000 . 1 . . . . . . . . 6081 1
276 . 1 1 31 31 GLY H H 1 9.636 0.000 . 1 . . . . . . . . 6081 1
277 . 1 1 31 31 GLY CA C 13 46.314 0.000 . 1 . . . . . . . . 6081 1
278 . 1 1 31 31 GLY HA2 H 1 4.270 0.000 . 1 . . . . . . . . 6081 1
279 . 1 1 31 31 GLY HA3 H 1 3.933 0.000 . 1 . . . . . . . . 6081 1
280 . 1 1 31 31 GLY C C 13 173.912 0.000 . 1 . . . . . . . . 6081 1
281 . 1 1 32 32 ARG N N 15 118.539 0.000 . 1 . . . . . . . . 6081 1
282 . 1 1 32 32 ARG H H 1 8.104 0.000 . 1 . . . . . . . . 6081 1
283 . 1 1 32 32 ARG CA C 13 54.296 0.000 . 1 . . . . . . . . 6081 1
284 . 1 1 32 32 ARG HA H 1 5.446 0.005 . 1 . . . . . . . . 6081 1
285 . 1 1 32 32 ARG CB C 13 33.796 0.000 . 1 . . . . . . . . 6081 1
286 . 1 1 32 32 ARG HB2 H 1 1.652 0.008 . 1 . . . . . . . . 6081 1
287 . 1 1 32 32 ARG HB3 H 1 1.785 0.012 . 1 . . . . . . . . 6081 1
288 . 1 1 32 32 ARG CG C 13 27.002 0.000 . 1 . . . . . . . . 6081 1
289 . 1 1 32 32 ARG HG2 H 1 1.637 0.013 . 1 . . . . . . . . 6081 1
290 . 1 1 32 32 ARG HG3 H 1 1.476 0.006 . 1 . . . . . . . . 6081 1
291 . 1 1 32 32 ARG CD C 13 42.796 0.000 . 1 . . . . . . . . 6081 1
292 . 1 1 32 32 ARG HD2 H 1 3.130 0.001 . 1 . . . . . . . . 6081 1
293 . 1 1 32 32 ARG HD3 H 1 3.167 0.005 . 1 . . . . . . . . 6081 1
294 . 1 1 32 32 ARG NE N 15 125.218 0.000 . 1 . . . . . . . . 6081 1
295 . 1 1 32 32 ARG HE H 1 7.384 0.000 . 1 . . . . . . . . 6081 1
296 . 1 1 32 32 ARG C C 13 174.108 0.000 . 1 . . . . . . . . 6081 1
297 . 1 1 33 33 VAL N N 15 114.759 0.000 . 1 . . . . . . . . 6081 1
298 . 1 1 33 33 VAL H H 1 8.306 0.000 . 1 . . . . . . . . 6081 1
299 . 1 1 33 33 VAL CA C 13 59.284 0.000 . 1 . . . . . . . . 6081 1
300 . 1 1 33 33 VAL HA H 1 4.343 0.003 . 1 . . . . . . . . 6081 1
301 . 1 1 33 33 VAL CB C 13 35.138 0.000 . 1 . . . . . . . . 6081 1
302 . 1 1 33 33 VAL HB H 1 1.508 0.003 . 1 . . . . . . . . 6081 1
303 . 1 1 33 33 VAL HG11 H 1 0.123 0.003 . 1 . . . . . . . . 6081 1
304 . 1 1 33 33 VAL HG12 H 1 0.123 0.003 . 1 . . . . . . . . 6081 1
305 . 1 1 33 33 VAL HG13 H 1 0.123 0.003 . 1 . . . . . . . . 6081 1
306 . 1 1 33 33 VAL HG21 H 1 0.115 0.003 . 1 . . . . . . . . 6081 1
307 . 1 1 33 33 VAL HG22 H 1 0.115 0.003 . 1 . . . . . . . . 6081 1
308 . 1 1 33 33 VAL HG23 H 1 0.115 0.003 . 1 . . . . . . . . 6081 1
309 . 1 1 33 33 VAL CG1 C 13 20.512 0.000 . 1 . . . . . . . . 6081 1
310 . 1 1 33 33 VAL CG2 C 13 20.227 0.000 . 1 . . . . . . . . 6081 1
311 . 1 1 33 33 VAL C C 13 174.893 0.000 . 1 . . . . . . . . 6081 1
312 . 1 1 34 34 SER N N 15 118.115 0.000 . 1 . . . . . . . . 6081 1
313 . 1 1 34 34 SER H H 1 8.810 0.000 . 1 . . . . . . . . 6081 1
314 . 1 1 34 34 SER CA C 13 57.736 0.000 . 1 . . . . . . . . 6081 1
315 . 1 1 34 34 SER HA H 1 4.888 0.008 . 1 . . . . . . . . 6081 1
316 . 1 1 34 34 SER CB C 13 64.576 0.000 . 1 . . . . . . . . 6081 1
317 . 1 1 34 34 SER HB2 H 1 4.076 0.005 . 1 . . . . . . . . 6081 1
318 . 1 1 34 34 SER HB3 H 1 3.881 0.009 . 1 . . . . . . . . 6081 1
319 . 1 1 34 34 SER C C 13 177.978 0.000 . 1 . . . . . . . . 6081 1
320 . 1 1 35 35 THR N N 15 117.953 0.000 . 1 . . . . . . . . 6081 1
321 . 1 1 35 35 THR H H 1 8.555 0.000 . 1 . . . . . . . . 6081 1
322 . 1 1 35 35 THR CA C 13 65.455 0.000 . 1 . . . . . . . . 6081 1
323 . 1 1 35 35 THR HA H 1 3.803 0.000 . 1 . . . . . . . . 6081 1
324 . 1 1 35 35 THR CB C 13 67.459 0.000 . 1 . . . . . . . . 6081 1
325 . 1 1 35 35 THR HB H 1 4.330 0.009 . 1 . . . . . . . . 6081 1
326 . 1 1 35 35 THR HG21 H 1 1.224 0.003 . 1 . . . . . . . . 6081 1
327 . 1 1 35 35 THR HG22 H 1 1.224 0.003 . 1 . . . . . . . . 6081 1
328 . 1 1 35 35 THR HG23 H 1 1.224 0.003 . 1 . . . . . . . . 6081 1
329 . 1 1 35 35 THR CG2 C 13 24.065 0.000 . 1 . . . . . . . . 6081 1
330 . 1 1 35 35 THR C C 13 177.782 0.000 . 1 . . . . . . . . 6081 1
331 . 1 1 36 36 ASP N N 15 119.400 0.000 . 1 . . . . . . . . 6081 1
332 . 1 1 36 36 ASP H H 1 8.185 0.000 . 1 . . . . . . . . 6081 1
333 . 1 1 36 36 ASP CA C 13 55.893 0.000 . 1 . . . . . . . . 6081 1
334 . 1 1 36 36 ASP HA H 1 4.490 0.005 . 1 . . . . . . . . 6081 1
335 . 1 1 36 36 ASP CB C 13 40.220 0.000 . 1 . . . . . . . . 6081 1
336 . 1 1 36 36 ASP HB2 H 1 2.749 0.003 . 1 . . . . . . . . 6081 1
337 . 1 1 36 36 ASP C C 13 177.301 0.000 . 1 . . . . . . . . 6081 1
338 . 1 1 37 37 GLN N N 15 115.611 0.000 . 1 . . . . . . . . 6081 1
339 . 1 1 37 37 GLN H H 1 7.742 0.000 . 1 . . . . . . . . 6081 1
340 . 1 1 37 37 GLN CA C 13 55.232 0.000 . 1 . . . . . . . . 6081 1
341 . 1 1 37 37 GLN HA H 1 4.551 0.005 . 1 . . . . . . . . 6081 1
342 . 1 1 37 37 GLN CB C 13 29.702 0.000 . 1 . . . . . . . . 6081 1
343 . 1 1 37 37 GLN HB2 H 1 1.928 0.012 . 1 . . . . . . . . 6081 1
344 . 1 1 37 37 GLN CG C 13 34.404 0.000 . 1 . . . . . . . . 6081 1
345 . 1 1 37 37 GLN HG2 H 1 2.308 0.003 . 1 . . . . . . . . 6081 1
346 . 1 1 37 37 GLN HG3 H 1 2.452 0.002 . 1 . . . . . . . . 6081 1
347 . 1 1 37 37 GLN NE2 N 15 111.499 0.004 . 1 . . . . . . . . 6081 1
348 . 1 1 37 37 GLN HE21 H 1 7.340 0.000 . 1 . . . . . . . . 6081 1
349 . 1 1 37 37 GLN HE22 H 1 6.775 0.000 . 1 . . . . . . . . 6081 1
350 . 1 1 37 37 GLN C C 13 176.258 0.000 . 1 . . . . . . . . 6081 1
351 . 1 1 38 38 ILE N N 15 118.834 0.000 . 1 . . . . . . . . 6081 1
352 . 1 1 38 38 ILE H H 1 7.212 0.000 . 1 . . . . . . . . 6081 1
353 . 1 1 38 38 ILE CA C 13 65.526 0.000 . 1 . . . . . . . . 6081 1
354 . 1 1 38 38 ILE HA H 1 3.470 0.004 . 1 . . . . . . . . 6081 1
355 . 1 1 38 38 ILE CB C 13 37.820 0.000 . 1 . . . . . . . . 6081 1
356 . 1 1 38 38 ILE HB H 1 1.825 0.009 . 1 . . . . . . . . 6081 1
357 . 1 1 38 38 ILE HG21 H 1 0.889 0.009 . 1 . . . . . . . . 6081 1
358 . 1 1 38 38 ILE HG22 H 1 0.889 0.009 . 1 . . . . . . . . 6081 1
359 . 1 1 38 38 ILE HG23 H 1 0.889 0.009 . 1 . . . . . . . . 6081 1
360 . 1 1 38 38 ILE CG2 C 13 17.503 0.000 . 1 . . . . . . . . 6081 1
361 . 1 1 38 38 ILE CG1 C 13 28.987 0.000 . 1 . . . . . . . . 6081 1
362 . 1 1 38 38 ILE HG12 H 1 1.719 0.006 . 1 . . . . . . . . 6081 1
363 . 1 1 38 38 ILE HG13 H 1 1.089 0.008 . 1 . . . . . . . . 6081 1
364 . 1 1 38 38 ILE HD11 H 1 0.873 0.006 . 1 . . . . . . . . 6081 1
365 . 1 1 38 38 ILE HD12 H 1 0.873 0.006 . 1 . . . . . . . . 6081 1
366 . 1 1 38 38 ILE HD13 H 1 0.873 0.006 . 1 . . . . . . . . 6081 1
367 . 1 1 38 38 ILE CD1 C 13 13.128 0.000 . 1 . . . . . . . . 6081 1
368 . 1 1 38 38 ILE C C 13 176.463 0.000 . 1 . . . . . . . . 6081 1
369 . 1 1 39 39 GLY N N 15 105.570 0.000 . 1 . . . . . . . . 6081 1
370 . 1 1 39 39 GLY H H 1 8.738 0.000 . 1 . . . . . . . . 6081 1
371 . 1 1 39 39 GLY CA C 13 47.369 0.000 . 1 . . . . . . . . 6081 1
372 . 1 1 39 39 GLY HA2 H 1 3.870 0.000 . 1 . . . . . . . . 6081 1
373 . 1 1 39 39 GLY HA3 H 1 3.690 0.000 . 1 . . . . . . . . 6081 1
374 . 1 1 39 39 GLY C C 13 176.229 0.000 . 1 . . . . . . . . 6081 1
375 . 1 1 40 40 ILE N N 15 122.100 0.000 . 1 . . . . . . . . 6081 1
376 . 1 1 40 40 ILE H H 1 7.293 0.000 . 1 . . . . . . . . 6081 1
377 . 1 1 40 40 ILE CA C 13 63.568 0.000 . 1 . . . . . . . . 6081 1
378 . 1 1 40 40 ILE HA H 1 3.878 0.005 . 1 . . . . . . . . 6081 1
379 . 1 1 40 40 ILE CB C 13 37.820 0.000 . 1 . . . . . . . . 6081 1
380 . 1 1 40 40 ILE HB H 1 1.822 0.005 . 1 . . . . . . . . 6081 1
381 . 1 1 40 40 ILE HG21 H 1 0.937 0.005 . 1 . . . . . . . . 6081 1
382 . 1 1 40 40 ILE HG22 H 1 0.937 0.005 . 1 . . . . . . . . 6081 1
383 . 1 1 40 40 ILE HG23 H 1 0.937 0.005 . 1 . . . . . . . . 6081 1
384 . 1 1 40 40 ILE CG2 C 13 18.050 0.000 . 1 . . . . . . . . 6081 1
385 . 1 1 40 40 ILE CG1 C 13 28.987 0.000 . 1 . . . . . . . . 6081 1
386 . 1 1 40 40 ILE HG12 H 1 1.258 0.004 . 1 . . . . . . . . 6081 1
387 . 1 1 40 40 ILE HG13 H 1 1.574 0.003 . 1 . . . . . . . . 6081 1
388 . 1 1 40 40 ILE HD11 H 1 0.945 0.007 . 1 . . . . . . . . 6081 1
389 . 1 1 40 40 ILE HD12 H 1 0.945 0.007 . 1 . . . . . . . . 6081 1
390 . 1 1 40 40 ILE HD13 H 1 0.945 0.007 . 1 . . . . . . . . 6081 1
391 . 1 1 40 40 ILE CD1 C 13 13.128 0.000 . 1 . . . . . . . . 6081 1
392 . 1 1 40 40 ILE C C 13 177.711 0.000 . 1 . . . . . . . . 6081 1
393 . 1 1 41 41 ILE N N 15 121.109 0.000 . 1 . . . . . . . . 6081 1
394 . 1 1 41 41 ILE H H 1 7.706 0.000 . 1 . . . . . . . . 6081 1
395 . 1 1 41 41 ILE CA C 13 65.558 0.000 . 1 . . . . . . . . 6081 1
396 . 1 1 41 41 ILE HA H 1 3.163 0.003 . 1 . . . . . . . . 6081 1
397 . 1 1 41 41 ILE CB C 13 37.538 0.000 . 1 . . . . . . . . 6081 1
398 . 1 1 41 41 ILE HB H 1 1.397 0.003 . 1 . . . . . . . . 6081 1
399 . 1 1 41 41 ILE HG21 H 1 0.688 0.003 . 1 . . . . . . . . 6081 1
400 . 1 1 41 41 ILE HG22 H 1 0.688 0.003 . 1 . . . . . . . . 6081 1
401 . 1 1 41 41 ILE HG23 H 1 0.688 0.003 . 1 . . . . . . . . 6081 1
402 . 1 1 41 41 ILE CG2 C 13 18.596 0.000 . 1 . . . . . . . . 6081 1
403 . 1 1 41 41 ILE CG1 C 13 27.347 0.000 . 1 . . . . . . . . 6081 1
404 . 1 1 41 41 ILE HG12 H 1 -0.401 0.009 . 1 . . . . . . . . 6081 1
405 . 1 1 41 41 ILE HG13 H 1 1.028 0.003 . 1 . . . . . . . . 6081 1
406 . 1 1 41 41 ILE HD11 H 1 0.180 0.002 . 1 . . . . . . . . 6081 1
407 . 1 1 41 41 ILE HD12 H 1 0.180 0.002 . 1 . . . . . . . . 6081 1
408 . 1 1 41 41 ILE HD13 H 1 0.180 0.002 . 1 . . . . . . . . 6081 1
409 . 1 1 41 41 ILE CD1 C 13 14.768 0.000 . 1 . . . . . . . . 6081 1
410 . 1 1 41 41 ILE C C 13 177.978 0.000 . 1 . . . . . . . . 6081 1
411 . 1 1 42 42 LEU N N 15 117.028 0.000 . 1 . . . . . . . . 6081 1
412 . 1 1 42 42 LEU H H 1 7.956 0.000 . 1 . . . . . . . . 6081 1
413 . 1 1 42 42 LEU CA C 13 58.355 0.000 . 1 . . . . . . . . 6081 1
414 . 1 1 42 42 LEU HA H 1 3.880 0.011 . 1 . . . . . . . . 6081 1
415 . 1 1 42 42 LEU CB C 13 39.514 0.000 . 1 . . . . . . . . 6081 1
416 . 1 1 42 42 LEU HB2 H 1 1.795 0.007 . 1 . . . . . . . . 6081 1
417 . 1 1 42 42 LEU HB3 H 1 1.457 0.004 . 1 . . . . . . . . 6081 1
418 . 1 1 42 42 LEU HG H 1 1.975 0.002 . 1 . . . . . . . . 6081 1
419 . 1 1 42 42 LEU HD11 H 1 0.659 0.006 . 1 . . . . . . . . 6081 1
420 . 1 1 42 42 LEU HD12 H 1 0.659 0.006 . 1 . . . . . . . . 6081 1
421 . 1 1 42 42 LEU HD13 H 1 0.659 0.006 . 1 . . . . . . . . 6081 1
422 . 1 1 42 42 LEU HD21 H 1 0.552 0.003 . 1 . . . . . . . . 6081 1
423 . 1 1 42 42 LEU HD22 H 1 0.552 0.003 . 1 . . . . . . . . 6081 1
424 . 1 1 42 42 LEU HD23 H 1 0.552 0.003 . 1 . . . . . . . . 6081 1
425 . 1 1 42 42 LEU CD1 C 13 21.848 0.000 . 1 . . . . . . . . 6081 1
426 . 1 1 42 42 LEU CD2 C 13 25.321 0.000 . 1 . . . . . . . . 6081 1
427 . 1 1 42 42 LEU C C 13 178.977 0.000 . 1 . . . . . . . . 6081 1
428 . 1 1 43 43 GLU N N 15 118.807 0.000 . 1 . . . . . . . . 6081 1
429 . 1 1 43 43 GLU H H 1 7.667 0.000 . 1 . . . . . . . . 6081 1
430 . 1 1 43 43 GLU CA C 13 60.340 0.000 . 1 . . . . . . . . 6081 1
431 . 1 1 43 43 GLU HA H 1 3.927 0.002 . 1 . . . . . . . . 6081 1
432 . 1 1 43 43 GLU CB C 13 29.066 0.000 . 1 . . . . . . . . 6081 1
433 . 1 1 43 43 GLU HB2 H 1 2.213 0.003 . 1 . . . . . . . . 6081 1
434 . 1 1 43 43 GLU HG2 H 1 2.429 0.000 . 1 . . . . . . . . 6081 1
435 . 1 1 43 43 GLU C C 13 181.171 0.000 . 1 . . . . . . . . 6081 1
436 . 1 1 44 44 VAL N N 15 123.357 0.000 . 1 . . . . . . . . 6081 1
437 . 1 1 44 44 VAL H H 1 8.394 0.000 . 1 . . . . . . . . 6081 1
438 . 1 1 44 44 VAL CA C 13 66.569 0.000 . 1 . . . . . . . . 6081 1
439 . 1 1 44 44 VAL HA H 1 3.845 0.003 . 1 . . . . . . . . 6081 1
440 . 1 1 44 44 VAL CB C 13 31.114 0.000 . 1 . . . . . . . . 6081 1
441 . 1 1 44 44 VAL HB H 1 2.506 0.005 . 1 . . . . . . . . 6081 1
442 . 1 1 44 44 VAL HG11 H 1 1.137 0.004 . 1 . . . . . . . . 6081 1
443 . 1 1 44 44 VAL HG12 H 1 1.137 0.004 . 1 . . . . . . . . 6081 1
444 . 1 1 44 44 VAL HG13 H 1 1.137 0.004 . 1 . . . . . . . . 6081 1
445 . 1 1 44 44 VAL HG21 H 1 1.285 0.003 . 1 . . . . . . . . 6081 1
446 . 1 1 44 44 VAL HG22 H 1 1.285 0.003 . 1 . . . . . . . . 6081 1
447 . 1 1 44 44 VAL HG23 H 1 1.285 0.003 . 1 . . . . . . . . 6081 1
448 . 1 1 44 44 VAL CG1 C 13 21.046 0.000 . 1 . . . . . . . . 6081 1
449 . 1 1 44 44 VAL CG2 C 13 23.183 0.000 . 1 . . . . . . . . 6081 1
450 . 1 1 44 44 VAL C C 13 178.498 0.000 . 1 . . . . . . . . 6081 1
451 . 1 1 45 45 LEU N N 15 118.643 0.000 . 1 . . . . . . . . 6081 1
452 . 1 1 45 45 LEU H H 1 7.599 0.000 . 1 . . . . . . . . 6081 1
453 . 1 1 45 45 LEU CA C 13 55.200 0.000 . 1 . . . . . . . . 6081 1
454 . 1 1 45 45 LEU HA H 1 4.295 0.007 . 1 . . . . . . . . 6081 1
455 . 1 1 45 45 LEU CB C 13 43.754 0.000 . 1 . . . . . . . . 6081 1
456 . 1 1 45 45 LEU HB2 H 1 1.972 0.004 . 1 . . . . . . . . 6081 1
457 . 1 1 45 45 LEU HB3 H 1 1.638 0.004 . 1 . . . . . . . . 6081 1
458 . 1 1 45 45 LEU HD11 H 1 0.952 0.000 . 1 . . . . . . . . 6081 1
459 . 1 1 45 45 LEU HD12 H 1 0.952 0.000 . 1 . . . . . . . . 6081 1
460 . 1 1 45 45 LEU HD13 H 1 0.952 0.000 . 1 . . . . . . . . 6081 1
461 . 1 1 45 45 LEU HD21 H 1 0.878 0.000 . 1 . . . . . . . . 6081 1
462 . 1 1 45 45 LEU HD22 H 1 0.878 0.000 . 1 . . . . . . . . 6081 1
463 . 1 1 45 45 LEU HD23 H 1 0.878 0.000 . 1 . . . . . . . . 6081 1
464 . 1 1 45 45 LEU C C 13 176.391 0.000 . 1 . . . . . . . . 6081 1
465 . 1 1 46 46 GLY N N 15 107.593 0.000 . 1 . . . . . . . . 6081 1
466 . 1 1 46 46 GLY H H 1 7.954 0.000 . 1 . . . . . . . . 6081 1
467 . 1 1 46 46 GLY CA C 13 45.901 0.000 . 1 . . . . . . . . 6081 1
468 . 1 1 46 46 GLY HA2 H 1 4.200 0.000 . 1 . . . . . . . . 6081 1
469 . 1 1 46 46 GLY HA3 H 1 3.900 0.000 . 1 . . . . . . . . 6081 1
470 . 1 1 46 46 GLY C C 13 174.872 0.000 . 1 . . . . . . . . 6081 1
471 . 1 1 47 47 ILE N N 15 117.183 0.000 . 1 . . . . . . . . 6081 1
472 . 1 1 47 47 ILE H H 1 8.074 0.000 . 1 . . . . . . . . 6081 1
473 . 1 1 47 47 ILE CA C 13 59.146 0.000 . 1 . . . . . . . . 6081 1
474 . 1 1 47 47 ILE HA H 1 4.486 0.004 . 1 . . . . . . . . 6081 1
475 . 1 1 47 47 ILE CB C 13 37.679 0.000 . 1 . . . . . . . . 6081 1
476 . 1 1 47 47 ILE HB H 1 1.814 0.011 . 1 . . . . . . . . 6081 1
477 . 1 1 47 47 ILE HG21 H 1 0.755 0.006 . 1 . . . . . . . . 6081 1
478 . 1 1 47 47 ILE HG22 H 1 0.755 0.006 . 1 . . . . . . . . 6081 1
479 . 1 1 47 47 ILE HG23 H 1 0.755 0.006 . 1 . . . . . . . . 6081 1
480 . 1 1 47 47 ILE CG2 C 13 18.596 0.000 . 1 . . . . . . . . 6081 1
481 . 1 1 47 47 ILE CG1 C 13 26.253 0.000 . 1 . . . . . . . . 6081 1
482 . 1 1 47 47 ILE HG12 H 1 1.558 0.006 . 1 . . . . . . . . 6081 1
483 . 1 1 47 47 ILE HG13 H 1 0.881 0.013 . 1 . . . . . . . . 6081 1
484 . 1 1 47 47 ILE HD11 H 1 0.803 0.003 . 1 . . . . . . . . 6081 1
485 . 1 1 47 47 ILE HD12 H 1 0.803 0.003 . 1 . . . . . . . . 6081 1
486 . 1 1 47 47 ILE HD13 H 1 0.803 0.003 . 1 . . . . . . . . 6081 1
487 . 1 1 47 47 ILE CD1 C 13 14.221 0.000 . 1 . . . . . . . . 6081 1
488 . 1 1 47 47 ILE C C 13 174.251 0.000 . 1 . . . . . . . . 6081 1
489 . 1 1 48 48 GLN N N 15 121.339 0.000 . 1 . . . . . . . . 6081 1
490 . 1 1 48 48 GLN H H 1 8.031 0.000 . 1 . . . . . . . . 6081 1
491 . 1 1 48 48 GLN CA C 13 56.256 0.000 . 1 . . . . . . . . 6081 1
492 . 1 1 48 48 GLN HA H 1 3.984 0.003 . 1 . . . . . . . . 6081 1
493 . 1 1 48 48 GLN CB C 13 28.996 0.000 . 1 . . . . . . . . 6081 1
494 . 1 1 48 48 GLN HB2 H 1 1.889 0.000 . 1 . . . . . . . . 6081 1
495 . 1 1 48 48 GLN HB3 H 1 2.230 0.000 . 1 . . . . . . . . 6081 1
496 . 1 1 48 48 GLN NE2 N 15 116.064 0.000 . 1 . . . . . . . . 6081 1
497 . 1 1 48 48 GLN HE21 H 1 6.351 0.000 . 1 . . . . . . . . 6081 1
498 . 1 1 48 48 GLN HE22 H 1 6.565 0.000 . 1 . . . . . . . . 6081 1
499 . 1 1 48 48 GLN C C 13 175.241 0.000 . 1 . . . . . . . . 6081 1
500 . 1 1 49 49 GLN N N 15 120.862 0.000 . 1 . . . . . . . . 6081 1
501 . 1 1 49 49 GLN H H 1 8.329 0.000 . 1 . . . . . . . . 6081 1
502 . 1 1 49 49 GLN CA C 13 52.074 0.000 . 1 . . . . . . . . 6081 1
503 . 1 1 49 49 GLN CB C 13 32.031 0.000 . 1 . . . . . . . . 6081 1
504 . 1 1 49 49 GLN C C 13 175.214 0.000 . 1 . . . . . . . . 6081 1
505 . 1 1 50 50 THR N N 15 110.778 0.000 . 1 . . . . . . . . 6081 1
506 . 1 1 50 50 THR H H 1 8.654 0.000 . 1 . . . . . . . . 6081 1
507 . 1 1 50 50 THR CA C 13 60.979 0.000 . 1 . . . . . . . . 6081 1
508 . 1 1 50 50 THR HA H 1 4.288 0.003 . 1 . . . . . . . . 6081 1
509 . 1 1 50 50 THR CB C 13 71.353 0.000 . 1 . . . . . . . . 6081 1
510 . 1 1 50 50 THR HB H 1 4.732 0.000 . 1 . . . . . . . . 6081 1
511 . 1 1 50 50 THR HG21 H 1 1.304 0.019 . 1 . . . . . . . . 6081 1
512 . 1 1 50 50 THR HG22 H 1 1.304 0.019 . 1 . . . . . . . . 6081 1
513 . 1 1 50 50 THR HG23 H 1 1.304 0.019 . 1 . . . . . . . . 6081 1
514 . 1 1 50 50 THR C C 13 175.339 0.000 . 1 . . . . . . . . 6081 1
515 . 1 1 51 51 LYS N N 15 120.163 0.000 . 1 . . . . . . . . 6081 1
516 . 1 1 51 51 LYS H H 1 8.794 0.000 . 1 . . . . . . . . 6081 1
517 . 1 1 51 51 LYS CA C 13 60.041 0.000 . 1 . . . . . . . . 6081 1
518 . 1 1 51 51 LYS HA H 1 3.946 0.001 . 1 . . . . . . . . 6081 1
519 . 1 1 51 51 LYS CB C 13 31.961 0.000 . 1 . . . . . . . . 6081 1
520 . 1 1 51 51 LYS HB2 H 1 1.897 0.002 . 1 . . . . . . . . 6081 1
521 . 1 1 51 51 LYS HG2 H 1 1.500 0.006 . 1 . . . . . . . . 6081 1
522 . 1 1 51 51 LYS HD2 H 1 1.637 0.002 . 1 . . . . . . . . 6081 1
523 . 1 1 51 51 LYS C C 13 179.614 0.000 . 1 . . . . . . . . 6081 1
524 . 1 1 52 52 SER N N 15 113.762 0.000 . 1 . . . . . . . . 6081 1
525 . 1 1 52 52 SER H H 1 8.335 0.000 . 1 . . . . . . . . 6081 1
526 . 1 1 52 52 SER CA C 13 61.254 0.000 . 1 . . . . . . . . 6081 1
527 . 1 1 52 52 SER HA H 1 4.218 0.002 . 1 . . . . . . . . 6081 1
528 . 1 1 52 52 SER CB C 13 62.444 0.000 . 1 . . . . . . . . 6081 1
529 . 1 1 52 52 SER HB2 H 1 3.871 0.000 . 1 . . . . . . . . 6081 1
530 . 1 1 52 52 SER HB3 H 1 3.926 0.000 . 1 . . . . . . . . 6081 1
531 . 1 1 52 52 SER C C 13 175.854 0.000 . 1 . . . . . . . . 6081 1
532 . 1 1 53 53 THR N N 15 122.427 0.000 . 1 . . . . . . . . 6081 1
533 . 1 1 53 53 THR H H 1 7.740 0.000 . 1 . . . . . . . . 6081 1
534 . 1 1 53 53 THR CA C 13 66.474 0.000 . 1 . . . . . . . . 6081 1
535 . 1 1 53 53 THR HA H 1 4.021 0.003 . 1 . . . . . . . . 6081 1
536 . 1 1 53 53 THR CB C 13 68.459 0.000 . 1 . . . . . . . . 6081 1
537 . 1 1 53 53 THR HB H 1 4.340 0.010 . 1 . . . . . . . . 6081 1
538 . 1 1 53 53 THR HG21 H 1 1.245 0.006 . 1 . . . . . . . . 6081 1
539 . 1 1 53 53 THR HG22 H 1 1.245 0.006 . 1 . . . . . . . . 6081 1
540 . 1 1 53 53 THR HG23 H 1 1.245 0.006 . 1 . . . . . . . . 6081 1
541 . 1 1 53 53 THR CG2 C 13 21.313 0.000 . 1 . . . . . . . . 6081 1
542 . 1 1 53 53 THR C C 13 176.302 0.000 . 1 . . . . . . . . 6081 1
543 . 1 1 54 54 ILE N N 15 121.558 0.000 . 1 . . . . . . . . 6081 1
544 . 1 1 54 54 ILE H H 1 8.259 0.000 . 1 . . . . . . . . 6081 1
545 . 1 1 54 54 ILE CA C 13 65.141 0.000 . 1 . . . . . . . . 6081 1
546 . 1 1 54 54 ILE HA H 1 3.529 0.003 . 1 . . . . . . . . 6081 1
547 . 1 1 54 54 ILE CB C 13 36.549 0.000 . 1 . . . . . . . . 6081 1
548 . 1 1 54 54 ILE HB H 1 1.977 0.003 . 1 . . . . . . . . 6081 1
549 . 1 1 54 54 ILE HG21 H 1 0.921 0.003 . 1 . . . . . . . . 6081 1
550 . 1 1 54 54 ILE HG22 H 1 0.921 0.003 . 1 . . . . . . . . 6081 1
551 . 1 1 54 54 ILE HG23 H 1 0.921 0.003 . 1 . . . . . . . . 6081 1
552 . 1 1 54 54 ILE CG2 C 13 17.870 0.000 . 1 . . . . . . . . 6081 1
553 . 1 1 54 54 ILE CG1 C 13 28.987 0.000 . 1 . . . . . . . . 6081 1
554 . 1 1 54 54 ILE HG12 H 1 1.474 0.002 . 1 . . . . . . . . 6081 1
555 . 1 1 54 54 ILE HG13 H 1 1.068 0.006 . 1 . . . . . . . . 6081 1
556 . 1 1 54 54 ILE HD11 H 1 0.706 0.001 . 1 . . . . . . . . 6081 1
557 . 1 1 54 54 ILE HD12 H 1 0.706 0.001 . 1 . . . . . . . . 6081 1
558 . 1 1 54 54 ILE HD13 H 1 0.706 0.001 . 1 . . . . . . . . 6081 1
559 . 1 1 54 54 ILE CD1 C 13 12.581 0.000 . 1 . . . . . . . . 6081 1
560 . 1 1 54 54 ILE C C 13 177.265 0.000 . 1 . . . . . . . . 6081 1
561 . 1 1 55 55 ARG N N 15 118.881 0.000 . 1 . . . . . . . . 6081 1
562 . 1 1 55 55 ARG H H 1 8.066 0.000 . 1 . . . . . . . . 6081 1
563 . 1 1 55 55 ARG CA C 13 59.450 0.000 . 1 . . . . . . . . 6081 1
564 . 1 1 55 55 ARG CB C 13 29.649 0.000 . 1 . . . . . . . . 6081 1
565 . 1 1 55 55 ARG CG C 13 27.510 0.000 . 1 . . . . . . . . 6081 1
566 . 1 1 55 55 ARG CD C 13 43.363 0.000 . 1 . . . . . . . . 6081 1
567 . 1 1 55 55 ARG NE N 15 124.193 0.000 . 1 . . . . . . . . 6081 1
568 . 1 1 55 55 ARG HE H 1 7.383 0.000 . 1 . . . . . . . . 6081 1
569 . 1 1 55 55 ARG C C 13 178.531 0.000 . 1 . . . . . . . . 6081 1
570 . 1 1 56 56 GLN N N 15 117.794 0.000 . 1 . . . . . . . . 6081 1
571 . 1 1 56 56 GLN H H 1 7.614 0.000 . 1 . . . . . . . . 6081 1
572 . 1 1 56 56 GLN CA C 13 59.179 0.000 . 1 . . . . . . . . 6081 1
573 . 1 1 56 56 GLN HA H 1 4.174 0.004 . 1 . . . . . . . . 6081 1
574 . 1 1 56 56 GLN CB C 13 28.260 0.000 . 1 . . . . . . . . 6081 1
575 . 1 1 56 56 GLN HB2 H 1 2.166 0.003 . 1 . . . . . . . . 6081 1
576 . 1 1 56 56 GLN HB3 H 1 2.317 0.050 . 1 . . . . . . . . 6081 1
577 . 1 1 56 56 GLN CG C 13 34.404 0.000 . 1 . . . . . . . . 6081 1
578 . 1 1 56 56 GLN HG2 H 1 2.461 0.007 . 1 . . . . . . . . 6081 1
579 . 1 1 56 56 GLN HG3 H 1 2.609 0.003 . 1 . . . . . . . . 6081 1
580 . 1 1 56 56 GLN NE2 N 15 112.492 0.000 . 1 . . . . . . . . 6081 1
581 . 1 1 56 56 GLN HE21 H 1 6.965 0.000 . 1 . . . . . . . . 6081 1
582 . 1 1 56 56 GLN HE22 H 1 7.568 0.000 . 1 . . . . . . . . 6081 1
583 . 1 1 56 56 GLN C C 13 179.456 0.000 . 1 . . . . . . . . 6081 1
584 . 1 1 57 57 LEU N N 15 121.028 0.000 . 1 . . . . . . . . 6081 1
585 . 1 1 57 57 LEU H H 1 8.319 0.000 . 1 . . . . . . . . 6081 1
586 . 1 1 57 57 LEU CA C 13 58.276 0.000 . 1 . . . . . . . . 6081 1
587 . 1 1 57 57 LEU HA H 1 4.407 0.019 . 1 . . . . . . . . 6081 1
588 . 1 1 57 57 LEU CB C 13 42.781 0.000 . 1 . . . . . . . . 6081 1
589 . 1 1 57 57 LEU HB2 H 1 2.405 0.005 . 1 . . . . . . . . 6081 1
590 . 1 1 57 57 LEU HB3 H 1 1.443 0.003 . 1 . . . . . . . . 6081 1
591 . 1 1 57 57 LEU CG C 13 26.250 0.000 . 1 . . . . . . . . 6081 1
592 . 1 1 57 57 LEU HG H 1 2.250 0.001 . 1 . . . . . . . . 6081 1
593 . 1 1 57 57 LEU HD11 H 1 1.116 0.003 . 1 . . . . . . . . 6081 1
594 . 1 1 57 57 LEU HD12 H 1 1.116 0.003 . 1 . . . . . . . . 6081 1
595 . 1 1 57 57 LEU HD13 H 1 1.116 0.003 . 1 . . . . . . . . 6081 1
596 . 1 1 57 57 LEU HD21 H 1 0.905 0.001 . 1 . . . . . . . . 6081 1
597 . 1 1 57 57 LEU HD22 H 1 0.905 0.001 . 1 . . . . . . . . 6081 1
598 . 1 1 57 57 LEU HD23 H 1 0.905 0.001 . 1 . . . . . . . . 6081 1
599 . 1 1 57 57 LEU CD1 C 13 23.518 0.000 . 1 . . . . . . . . 6081 1
600 . 1 1 57 57 LEU C C 13 179.161 0.000 . 1 . . . . . . . . 6081 1
601 . 1 1 58 58 ILE N N 15 121.229 0.000 . 1 . . . . . . . . 6081 1
602 . 1 1 58 58 ILE H H 1 8.406 0.000 . 1 . . . . . . . . 6081 1
603 . 1 1 58 58 ILE CA C 13 66.695 0.000 . 1 . . . . . . . . 6081 1
604 . 1 1 58 58 ILE HA H 1 3.468 0.006 . 1 . . . . . . . . 6081 1
605 . 1 1 58 58 ILE CB C 13 37.608 0.000 . 1 . . . . . . . . 6081 1
606 . 1 1 58 58 ILE HB H 1 1.974 0.009 . 1 . . . . . . . . 6081 1
607 . 1 1 58 58 ILE HG21 H 1 1.047 0.000 . 1 . . . . . . . . 6081 1
608 . 1 1 58 58 ILE HG22 H 1 1.047 0.000 . 1 . . . . . . . . 6081 1
609 . 1 1 58 58 ILE HG23 H 1 1.047 0.000 . 1 . . . . . . . . 6081 1
610 . 1 1 58 58 ILE CG2 C 13 18.050 0.000 . 1 . . . . . . . . 6081 1
611 . 1 1 58 58 ILE HD11 H 1 0.878 0.003 . 1 . . . . . . . . 6081 1
612 . 1 1 58 58 ILE HD12 H 1 0.878 0.003 . 1 . . . . . . . . 6081 1
613 . 1 1 58 58 ILE HD13 H 1 0.878 0.003 . 1 . . . . . . . . 6081 1
614 . 1 1 58 58 ILE CD1 C 13 14.221 0.000 . 1 . . . . . . . . 6081 1
615 . 1 1 58 58 ILE C C 13 177.426 0.000 . 1 . . . . . . . . 6081 1
616 . 1 1 59 59 ASP N N 15 118.524 0.000 . 1 . . . . . . . . 6081 1
617 . 1 1 59 59 ASP H H 1 7.866 0.000 . 1 . . . . . . . . 6081 1
618 . 1 1 59 59 ASP CA C 13 57.289 0.000 . 1 . . . . . . . . 6081 1
619 . 1 1 59 59 ASP HA H 1 4.216 0.004 . 1 . . . . . . . . 6081 1
620 . 1 1 59 59 ASP CB C 13 40.291 0.000 . 1 . . . . . . . . 6081 1
621 . 1 1 59 59 ASP HB2 H 1 2.712 0.003 . 1 . . . . . . . . 6081 1
622 . 1 1 59 59 ASP HB3 H 1 2.619 0.005 . 1 . . . . . . . . 6081 1
623 . 1 1 59 59 ASP C C 13 177.479 0.000 . 1 . . . . . . . . 6081 1
624 . 1 1 60 60 GLU N N 15 118.291 0.000 . 1 . . . . . . . . 6081 1
625 . 1 1 60 60 GLU H H 1 7.751 0.000 . 1 . . . . . . . . 6081 1
626 . 1 1 60 60 GLU CA C 13 58.630 0.000 . 1 . . . . . . . . 6081 1
627 . 1 1 60 60 GLU HA H 1 3.799 0.008 . 1 . . . . . . . . 6081 1
628 . 1 1 60 60 GLU CB C 13 29.843 0.000 . 1 . . . . . . . . 6081 1
629 . 1 1 60 60 GLU HB2 H 1 1.877 0.010 . 1 . . . . . . . . 6081 1
630 . 1 1 60 60 GLU CG C 13 34.456 0.000 . 1 . . . . . . . . 6081 1
631 . 1 1 60 60 GLU HG2 H 1 0.700 0.006 . 1 . . . . . . . . 6081 1
632 . 1 1 60 60 GLU HG3 H 1 1.808 0.003 . 1 . . . . . . . . 6081 1
633 . 1 1 60 60 GLU C C 13 178.157 0.000 . 1 . . . . . . . . 6081 1
634 . 1 1 61 61 PHE N N 15 113.504 0.000 . 1 . . . . . . . . 6081 1
635 . 1 1 61 61 PHE H H 1 8.408 0.000 . 1 . . . . . . . . 6081 1
636 . 1 1 61 61 PHE CA C 13 60.284 0.000 . 1 . . . . . . . . 6081 1
637 . 1 1 61 61 PHE HA H 1 4.549 0.005 . 1 . . . . . . . . 6081 1
638 . 1 1 61 61 PHE CB C 13 39.726 0.000 . 1 . . . . . . . . 6081 1
639 . 1 1 61 61 PHE HB2 H 1 3.300 0.006 . 1 . . . . . . . . 6081 1
640 . 1 1 61 61 PHE HB3 H 1 2.741 0.004 . 1 . . . . . . . . 6081 1
641 . 1 1 61 61 PHE CE1 C 13 129.727 0.000 . 1 . . . . . . . . 6081 1
642 . 1 1 61 61 PHE CZ C 13 131.292 0.000 . 1 . . . . . . . . 6081 1
643 . 1 1 61 61 PHE HZ H 1 7.586 0.001 . 1 . . . . . . . . 6081 1
644 . 1 1 61 61 PHE HD1 H 1 7.217 0.002 . 1 . . . . . . . . 6081 1
645 . 1 1 61 61 PHE HE1 H 1 7.051 0.003 . 1 . . . . . . . . 6081 1
646 . 1 1 61 61 PHE C C 13 175.214 0.000 . 1 . . . . . . . . 6081 1
647 . 1 1 62 62 ASP N N 15 120.630 0.000 . 1 . . . . . . . . 6081 1
648 . 1 1 62 62 ASP H H 1 8.743 0.000 . 1 . . . . . . . . 6081 1
649 . 1 1 62 62 ASP CA C 13 52.642 0.000 . 1 . . . . . . . . 6081 1
650 . 1 1 62 62 ASP HA H 1 5.417 0.004 . 1 . . . . . . . . 6081 1
651 . 1 1 62 62 ASP CB C 13 41.068 0.000 . 1 . . . . . . . . 6081 1
652 . 1 1 62 62 ASP HB2 H 1 3.042 0.002 . 1 . . . . . . . . 6081 1
653 . 1 1 62 62 ASP HB3 H 1 2.321 0.007 . 1 . . . . . . . . 6081 1
654 . 1 1 63 63 PRO CA C 13 65.085 0.000 . 1 . . . . . . . . 6081 1
655 . 1 1 63 63 PRO HA H 1 4.333 0.000 . 1 . . . . . . . . 6081 1
656 . 1 1 63 63 PRO CB C 13 31.456 0.000 . 1 . . . . . . . . 6081 1
657 . 1 1 63 63 PRO C C 13 178.371 0.000 . 1 . . . . . . . . 6081 1
658 . 1 1 64 64 PHE N N 15 116.373 0.000 . 1 . . . . . . . . 6081 1
659 . 1 1 64 64 PHE H H 1 8.815 0.000 . 1 . . . . . . . . 6081 1
660 . 1 1 64 64 PHE CA C 13 56.876 0.000 . 1 . . . . . . . . 6081 1
661 . 1 1 64 64 PHE HA H 1 4.667 0.140 . 1 . . . . . . . . 6081 1
662 . 1 1 64 64 PHE CB C 13 37.891 0.000 . 1 . . . . . . . . 6081 1
663 . 1 1 64 64 PHE HB2 H 1 3.449 0.003 . 1 . . . . . . . . 6081 1
664 . 1 1 64 64 PHE HB3 H 1 3.015 0.003 . 1 . . . . . . . . 6081 1
665 . 1 1 64 64 PHE CD1 C 13 131.814 0.000 . 1 . . . . . . . . 6081 1
666 . 1 1 64 64 PHE CE1 C 13 131.814 0.000 . 1 . . . . . . . . 6081 1
667 . 1 1 64 64 PHE HD1 H 1 7.325 0.000 . 1 . . . . . . . . 6081 1
668 . 1 1 64 64 PHE HE1 H 1 7.406 0.000 . 1 . . . . . . . . 6081 1
669 . 1 1 64 64 PHE C C 13 175.161 0.000 . 1 . . . . . . . . 6081 1
670 . 1 1 65 65 GLY N N 15 110.190 0.000 . 1 . . . . . . . . 6081 1
671 . 1 1 65 65 GLY H H 1 7.858 0.000 . 1 . . . . . . . . 6081 1
672 . 1 1 65 65 GLY CA C 13 47.801 0.000 . 1 . . . . . . . . 6081 1
673 . 1 1 65 65 GLY HA2 H 1 4.010 0.000 . 1 . . . . . . . . 6081 1
674 . 1 1 65 65 GLY C C 13 176.463 0.000 . 1 . . . . . . . . 6081 1
675 . 1 1 66 66 ASN N N 15 122.324 0.000 . 1 . . . . . . . . 6081 1
676 . 1 1 66 66 ASN H H 1 10.371 0.000 . 1 . . . . . . . . 6081 1
677 . 1 1 66 66 ASN CA C 13 55.603 0.000 . 1 . . . . . . . . 6081 1
678 . 1 1 66 66 ASN HA H 1 4.582 0.002 . 1 . . . . . . . . 6081 1
679 . 1 1 66 66 ASN CB C 13 39.373 0.000 . 1 . . . . . . . . 6081 1
680 . 1 1 66 66 ASN HB2 H 1 3.009 0.015 . 1 . . . . . . . . 6081 1
681 . 1 1 66 66 ASN ND2 N 15 114.243 0.000 . 1 . . . . . . . . 6081 1
682 . 1 1 66 66 ASN HD21 H 1 7.004 0.000 . 1 . . . . . . . . 6081 1
683 . 1 1 66 66 ASN HD22 H 1 7.934 0.000 . 1 . . . . . . . . 6081 1
684 . 1 1 66 66 ASN C C 13 178.014 0.000 . 1 . . . . . . . . 6081 1
685 . 1 1 67 67 GLY N N 15 109.545 0.000 . 1 . . . . . . . . 6081 1
686 . 1 1 67 67 GLY H H 1 10.897 0.000 . 1 . . . . . . . . 6081 1
687 . 1 1 67 67 GLY CA C 13 45.351 0.000 . 1 . . . . . . . . 6081 1
688 . 1 1 67 67 GLY HA2 H 1 4.340 0.000 . 1 . . . . . . . . 6081 1
689 . 1 1 67 67 GLY HA3 H 1 3.760 0.000 . 1 . . . . . . . . 6081 1
690 . 1 1 67 67 GLY C C 13 174.077 0.000 . 1 . . . . . . . . 6081 1
691 . 1 1 68 68 ASP N N 15 118.759 0.000 . 1 . . . . . . . . 6081 1
692 . 1 1 68 68 ASP H H 1 7.593 0.000 . 1 . . . . . . . . 6081 1
693 . 1 1 68 68 ASP CA C 13 52.737 0.000 . 1 . . . . . . . . 6081 1
694 . 1 1 68 68 ASP HA H 1 5.407 0.007 . 1 . . . . . . . . 6081 1
695 . 1 1 68 68 ASP CB C 13 44.739 0.000 . 1 . . . . . . . . 6081 1
696 . 1 1 68 68 ASP HB2 H 1 2.590 0.005 . 1 . . . . . . . . 6081 1
697 . 1 1 68 68 ASP HB3 H 1 2.754 0.010 . 1 . . . . . . . . 6081 1
698 . 1 1 68 68 ASP C C 13 173.894 0.000 . 1 . . . . . . . . 6081 1
699 . 1 1 69 69 ILE N N 15 111.640 0.000 . 1 . . . . . . . . 6081 1
700 . 1 1 69 69 ILE H H 1 8.752 0.000 . 1 . . . . . . . . 6081 1
701 . 1 1 69 69 ILE CA C 13 59.842 0.000 . 1 . . . . . . . . 6081 1
702 . 1 1 69 69 ILE HA H 1 4.903 0.002 . 1 . . . . . . . . 6081 1
703 . 1 1 69 69 ILE CB C 13 42.691 0.000 . 1 . . . . . . . . 6081 1
704 . 1 1 69 69 ILE HB H 1 1.996 0.006 . 1 . . . . . . . . 6081 1
705 . 1 1 69 69 ILE HG21 H 1 0.991 0.012 . 1 . . . . . . . . 6081 1
706 . 1 1 69 69 ILE HG22 H 1 0.991 0.012 . 1 . . . . . . . . 6081 1
707 . 1 1 69 69 ILE HG23 H 1 0.991 0.012 . 1 . . . . . . . . 6081 1
708 . 1 1 69 69 ILE CG2 C 13 17.503 0.000 . 1 . . . . . . . . 6081 1
709 . 1 1 69 69 ILE CG1 C 13 26.253 0.000 . 1 . . . . . . . . 6081 1
710 . 1 1 69 69 ILE HG12 H 1 1.075 0.008 . 1 . . . . . . . . 6081 1
711 . 1 1 69 69 ILE HG13 H 1 1.654 0.003 . 1 . . . . . . . . 6081 1
712 . 1 1 69 69 ILE HD11 H 1 0.782 0.002 . 1 . . . . . . . . 6081 1
713 . 1 1 69 69 ILE HD12 H 1 0.782 0.002 . 1 . . . . . . . . 6081 1
714 . 1 1 69 69 ILE HD13 H 1 0.782 0.002 . 1 . . . . . . . . 6081 1
715 . 1 1 69 69 ILE CD1 C 13 14.220 0.000 . 1 . . . . . . . . 6081 1
716 . 1 1 69 69 ILE C C 13 174.144 0.000 . 1 . . . . . . . . 6081 1
717 . 1 1 70 70 ASP N N 15 120.415 0.000 . 1 . . . . . . . . 6081 1
718 . 1 1 70 70 ASP H H 1 8.256 0.000 . 1 . . . . . . . . 6081 1
719 . 1 1 70 70 ASP CA C 13 51.956 0.000 . 1 . . . . . . . . 6081 1
720 . 1 1 70 70 ASP HA H 1 5.598 0.005 . 1 . . . . . . . . 6081 1
721 . 1 1 70 70 ASP CB C 13 42.691 0.000 . 1 . . . . . . . . 6081 1
722 . 1 1 70 70 ASP HB2 H 1 3.427 0.005 . 1 . . . . . . . . 6081 1
723 . 1 1 70 70 ASP HB3 H 1 2.813 0.009 . 1 . . . . . . . . 6081 1
724 . 1 1 70 70 ASP C C 13 176.452 0.000 . 1 . . . . . . . . 6081 1
725 . 1 1 71 71 PHE N N 15 119.398 0.000 . 1 . . . . . . . . 6081 1
726 . 1 1 71 71 PHE H H 1 8.499 0.000 . 1 . . . . . . . . 6081 1
727 . 1 1 71 71 PHE CA C 13 60.537 0.000 . 1 . . . . . . . . 6081 1
728 . 1 1 71 71 PHE HA H 1 3.565 0.005 . 1 . . . . . . . . 6081 1
729 . 1 1 71 71 PHE CB C 13 38.456 0.000 . 1 . . . . . . . . 6081 1
730 . 1 1 71 71 PHE HB2 H 1 2.672 0.002 . 1 . . . . . . . . 6081 1
731 . 1 1 71 71 PHE HB3 H 1 2.380 0.006 . 1 . . . . . . . . 6081 1
732 . 1 1 71 71 PHE CD1 C 13 132.075 0.000 . 1 . . . . . . . . 6081 1
733 . 1 1 71 71 PHE CE1 C 13 130.770 0.000 . 1 . . . . . . . . 6081 1
734 . 1 1 71 71 PHE HD1 H 1 6.526 0.001 . 1 . . . . . . . . 6081 1
735 . 1 1 71 71 PHE HE1 H 1 7.105 0.001 . 1 . . . . . . . . 6081 1
736 . 1 1 71 71 PHE C C 13 176.464 0.000 . 1 . . . . . . . . 6081 1
737 . 1 1 72 72 ASP N N 15 118.984 0.000 . 1 . . . . . . . . 6081 1
738 . 1 1 72 72 ASP H H 1 8.136 0.000 . 1 . . . . . . . . 6081 1
739 . 1 1 72 72 ASP CA C 13 58.345 0.000 . 1 . . . . . . . . 6081 1
740 . 1 1 72 72 ASP HA H 1 4.044 0.006 . 1 . . . . . . . . 6081 1
741 . 1 1 72 72 ASP CB C 13 40.210 0.000 . 1 . . . . . . . . 6081 1
742 . 1 1 72 72 ASP HB2 H 1 2.616 0.005 . 1 . . . . . . . . 6081 1
743 . 1 1 72 72 ASP HB3 H 1 2.727 0.006 . 1 . . . . . . . . 6081 1
744 . 1 1 72 72 ASP C C 13 179.637 0.000 . 1 . . . . . . . . 6081 1
745 . 1 1 73 73 SER N N 15 116.112 0.000 . 1 . . . . . . . . 6081 1
746 . 1 1 73 73 SER H H 1 8.188 0.000 . 1 . . . . . . . . 6081 1
747 . 1 1 73 73 SER CA C 13 62.243 0.000 . 1 . . . . . . . . 6081 1
748 . 1 1 73 73 SER HA H 1 4.083 0.003 . 1 . . . . . . . . 6081 1
749 . 1 1 73 73 SER HB2 H 1 3.520 0.000 . 1 . . . . . . . . 6081 1
750 . 1 1 73 73 SER C C 13 174.768 0.000 . 1 . . . . . . . . 6081 1
751 . 1 1 74 74 PHE N N 15 122.519 0.000 . 1 . . . . . . . . 6081 1
752 . 1 1 74 74 PHE H H 1 8.144 0.000 . 1 . . . . . . . . 6081 1
753 . 1 1 74 74 PHE CA C 13 61.623 0.000 . 1 . . . . . . . . 6081 1
754 . 1 1 74 74 PHE HA H 1 3.780 0.003 . 1 . . . . . . . . 6081 1
755 . 1 1 74 74 PHE CB C 13 39.797 0.000 . 1 . . . . . . . . 6081 1
756 . 1 1 74 74 PHE HB2 H 1 2.899 0.003 . 1 . . . . . . . . 6081 1
757 . 1 1 74 74 PHE HB3 H 1 3.072 0.007 . 1 . . . . . . . . 6081 1
758 . 1 1 74 74 PHE CE1 C 13 128.422 0.000 . 1 . . . . . . . . 6081 1
759 . 1 1 74 74 PHE HZ H 1 7.222 0.000 . 1 . . . . . . . . 6081 1
760 . 1 1 74 74 PHE HD1 H 1 6.526 0.000 . 1 . . . . . . . . 6081 1
761 . 1 1 74 74 PHE HE1 H 1 7.111 0.003 . 1 . . . . . . . . 6081 1
762 . 1 1 74 74 PHE C C 13 176.288 0.000 . 1 . . . . . . . . 6081 1
763 . 1 1 75 75 LYS N N 15 117.726 0.000 . 1 . . . . . . . . 6081 1
764 . 1 1 75 75 LYS H H 1 8.262 0.000 . 1 . . . . . . . . 6081 1
765 . 1 1 75 75 LYS CA C 13 60.419 0.000 . 1 . . . . . . . . 6081 1
766 . 1 1 75 75 LYS HA H 1 3.364 0.001 . 1 . . . . . . . . 6081 1
767 . 1 1 75 75 LYS CB C 13 31.961 0.000 . 1 . . . . . . . . 6081 1
768 . 1 1 75 75 LYS HB2 H 1 1.469 0.010 . 1 . . . . . . . . 6081 1
769 . 1 1 75 75 LYS HB3 H 1 1.347 0.007 . 1 . . . . . . . . 6081 1
770 . 1 1 75 75 LYS HG2 H 1 0.826 0.001 . 1 . . . . . . . . 6081 1
771 . 1 1 75 75 LYS HG3 H 1 0.773 0.003 . 1 . . . . . . . . 6081 1
772 . 1 1 75 75 LYS C C 13 177.691 0.000 . 1 . . . . . . . . 6081 1
773 . 1 1 76 76 ILE N N 15 119.088 0.000 . 1 . . . . . . . . 6081 1
774 . 1 1 76 76 ILE H H 1 6.856 0.000 . 1 . . . . . . . . 6081 1
775 . 1 1 76 76 ILE CA C 13 65.463 0.000 . 1 . . . . . . . . 6081 1
776 . 1 1 76 76 ILE HA H 1 3.331 0.009 . 1 . . . . . . . . 6081 1
777 . 1 1 76 76 ILE CB C 13 37.326 0.000 . 1 . . . . . . . . 6081 1
778 . 1 1 76 76 ILE HB H 1 1.941 0.002 . 1 . . . . . . . . 6081 1
779 . 1 1 76 76 ILE HG21 H 1 0.974 0.000 . 1 . . . . . . . . 6081 1
780 . 1 1 76 76 ILE HG22 H 1 0.974 0.000 . 1 . . . . . . . . 6081 1
781 . 1 1 76 76 ILE HG23 H 1 0.974 0.000 . 1 . . . . . . . . 6081 1
782 . 1 1 76 76 ILE CG2 C 13 18.296 0.019 . 1 . . . . . . . . 6081 1
783 . 1 1 76 76 ILE HD11 H 1 0.979 0.001 . 1 . . . . . . . . 6081 1
784 . 1 1 76 76 ILE HD12 H 1 0.979 0.001 . 1 . . . . . . . . 6081 1
785 . 1 1 76 76 ILE HD13 H 1 0.979 0.001 . 1 . . . . . . . . 6081 1
786 . 1 1 76 76 ILE CD1 C 13 13.674 0.000 . 1 . . . . . . . . 6081 1
787 . 1 1 76 76 ILE C C 13 178.189 0.000 . 1 . . . . . . . . 6081 1
788 . 1 1 77 77 ILE N N 15 119.656 0.000 . 1 . . . . . . . . 6081 1
789 . 1 1 77 77 ILE H H 1 7.196 0.000 . 1 . . . . . . . . 6081 1
790 . 1 1 77 77 ILE CA C 13 66.316 0.000 . 1 . . . . . . . . 6081 1
791 . 1 1 77 77 ILE HA H 1 3.011 0.005 . 1 . . . . . . . . 6081 1
792 . 1 1 77 77 ILE CB C 13 37.538 0.000 . 1 . . . . . . . . 6081 1
793 . 1 1 77 77 ILE HB H 1 1.554 0.006 . 1 . . . . . . . . 6081 1
794 . 1 1 77 77 ILE HG21 H 1 0.725 0.003 . 1 . . . . . . . . 6081 1
795 . 1 1 77 77 ILE HG22 H 1 0.725 0.003 . 1 . . . . . . . . 6081 1
796 . 1 1 77 77 ILE HG23 H 1 0.725 0.003 . 1 . . . . . . . . 6081 1
797 . 1 1 77 77 ILE CG2 C 13 17.503 0.000 . 1 . . . . . . . . 6081 1
798 . 1 1 77 77 ILE CG1 C 13 28.987 0.000 . 1 . . . . . . . . 6081 1
799 . 1 1 77 77 ILE HG12 H 1 0.455 0.010 . 1 . . . . . . . . 6081 1
800 . 1 1 77 77 ILE HG13 H 1 1.005 0.006 . 1 . . . . . . . . 6081 1
801 . 1 1 77 77 ILE HD11 H 1 0.411 0.014 . 1 . . . . . . . . 6081 1
802 . 1 1 77 77 ILE HD12 H 1 0.411 0.014 . 1 . . . . . . . . 6081 1
803 . 1 1 77 77 ILE HD13 H 1 0.411 0.014 . 1 . . . . . . . . 6081 1
804 . 1 1 77 77 ILE CD1 C 13 13.128 0.000 . 1 . . . . . . . . 6081 1
805 . 1 1 77 77 ILE C C 13 177.657 0.000 . 1 . . . . . . . . 6081 1
806 . 1 1 78 78 GLY N N 15 103.881 0.000 . 1 . . . . . . . . 6081 1
807 . 1 1 78 78 GLY H H 1 8.479 0.000 . 1 . . . . . . . . 6081 1
808 . 1 1 78 78 GLY CA C 13 47.274 0.000 . 1 . . . . . . . . 6081 1
809 . 1 1 78 78 GLY HA2 H 1 3.310 0.000 . 1 . . . . . . . . 6081 1
810 . 1 1 78 78 GLY HA3 H 1 3.240 0.000 . 1 . . . . . . . . 6081 1
811 . 1 1 78 78 GLY C C 13 174.661 0.000 . 1 . . . . . . . . 6081 1
812 . 1 1 79 79 ALA N N 15 121.701 0.000 . 1 . . . . . . . . 6081 1
813 . 1 1 79 79 ALA H H 1 8.250 0.000 . 1 . . . . . . . . 6081 1
814 . 1 1 79 79 ALA CA C 13 54.571 0.000 . 1 . . . . . . . . 6081 1
815 . 1 1 79 79 ALA HA H 1 3.907 0.005 . 1 . . . . . . . . 6081 1
816 . 1 1 79 79 ALA HB1 H 1 1.256 0.004 . 1 . . . . . . . . 6081 1
817 . 1 1 79 79 ALA HB2 H 1 1.256 0.004 . 1 . . . . . . . . 6081 1
818 . 1 1 79 79 ALA HB3 H 1 1.256 0.004 . 1 . . . . . . . . 6081 1
819 . 1 1 79 79 ALA CB C 13 18.116 0.000 . 1 . . . . . . . . 6081 1
820 . 1 1 79 79 ALA C C 13 178.852 0.000 . 1 . . . . . . . . 6081 1
821 . 1 1 80 80 ARG N N 15 116.825 0.000 . 1 . . . . . . . . 6081 1
822 . 1 1 80 80 ARG H H 1 7.558 0.000 . 1 . . . . . . . . 6081 1
823 . 1 1 80 80 ARG CA C 13 58.970 0.000 . 1 . . . . . . . . 6081 1
824 . 1 1 80 80 ARG HA H 1 3.744 0.003 . 1 . . . . . . . . 6081 1
825 . 1 1 80 80 ARG CB C 13 29.702 0.000 . 1 . . . . . . . . 6081 1
826 . 1 1 80 80 ARG HB2 H 1 1.081 0.005 . 1 . . . . . . . . 6081 1
827 . 1 1 80 80 ARG HB3 H 1 1.460 0.004 . 1 . . . . . . . . 6081 1
828 . 1 1 80 80 ARG CG C 13 26.441 0.000 . 1 . . . . . . . . 6081 1
829 . 1 1 80 80 ARG HG2 H 1 0.980 0.009 . 1 . . . . . . . . 6081 1
830 . 1 1 80 80 ARG HG3 H 1 1.541 0.005 . 1 . . . . . . . . 6081 1
831 . 1 1 80 80 ARG CD C 13 43.847 0.000 . 1 . . . . . . . . 6081 1
832 . 1 1 80 80 ARG HD2 H 1 2.513 0.003 . 1 . . . . . . . . 6081 1
833 . 1 1 80 80 ARG HD3 H 1 2.988 0.003 . 1 . . . . . . . . 6081 1
834 . 1 1 80 80 ARG NE N 15 122.968 0.000 . 1 . . . . . . . . 6081 1
835 . 1 1 80 80 ARG HE H 1 6.863 0.000 . 1 . . . . . . . . 6081 1
836 . 1 1 80 80 ARG C C 13 177.555 0.000 . 1 . . . . . . . . 6081 1
837 . 1 1 81 81 PHE N N 15 113.314 0.000 . 1 . . . . . . . . 6081 1
838 . 1 1 81 81 PHE H H 1 7.003 0.000 . 1 . . . . . . . . 6081 1
839 . 1 1 81 81 PHE CA C 13 58.434 0.000 . 1 . . . . . . . . 6081 1
840 . 1 1 81 81 PHE HA H 1 4.874 0.003 . 1 . . . . . . . . 6081 1
841 . 1 1 81 81 PHE CB C 13 42.480 0.000 . 1 . . . . . . . . 6081 1
842 . 1 1 81 81 PHE HB2 H 1 3.338 0.006 . 1 . . . . . . . . 6081 1
843 . 1 1 81 81 PHE HB3 H 1 2.533 0.008 . 1 . . . . . . . . 6081 1
844 . 1 1 81 81 PHE CD1 C 13 132.075 0.000 . 1 . . . . . . . . 6081 1
845 . 1 1 81 81 PHE CE1 C 13 130.509 0.000 . 1 . . . . . . . . 6081 1
846 . 1 1 81 81 PHE HD1 H 1 7.227 0.001 . 1 . . . . . . . . 6081 1
847 . 1 1 81 81 PHE HE1 H 1 7.156 0.007 . 1 . . . . . . . . 6081 1
848 . 1 1 81 81 PHE C C 13 176.480 0.000 . 1 . . . . . . . . 6081 1
849 . 1 1 82 82 LEU N N 15 120.572 0.000 . 1 . . . . . . . . 6081 1
850 . 1 1 82 82 LEU H H 1 8.396 0.000 . 1 . . . . . . . . 6081 1
851 . 1 1 82 82 LEU CA C 13 56.211 0.000 . 1 . . . . . . . . 6081 1
852 . 1 1 82 82 LEU HA H 1 4.299 0.003 . 1 . . . . . . . . 6081 1
853 . 1 1 82 82 LEU CB C 13 42.691 0.000 . 1 . . . . . . . . 6081 1
854 . 1 1 82 82 LEU HB2 H 1 1.638 0.012 . 1 . . . . . . . . 6081 1
855 . 1 1 82 82 LEU HG H 1 1.496 0.004 . 1 . . . . . . . . 6081 1
856 . 1 1 82 82 LEU HD11 H 1 0.764 0.005 . 1 . . . . . . . . 6081 1
857 . 1 1 82 82 LEU HD12 H 1 0.764 0.005 . 1 . . . . . . . . 6081 1
858 . 1 1 82 82 LEU HD13 H 1 0.764 0.005 . 1 . . . . . . . . 6081 1
859 . 1 1 82 82 LEU HD21 H 1 0.941 0.005 . 1 . . . . . . . . 6081 1
860 . 1 1 82 82 LEU HD22 H 1 0.941 0.005 . 1 . . . . . . . . 6081 1
861 . 1 1 82 82 LEU HD23 H 1 0.941 0.005 . 1 . . . . . . . . 6081 1
862 . 1 1 82 82 LEU CD1 C 13 25.159 0.000 . 1 . . . . . . . . 6081 1
863 . 1 1 82 82 LEU C C 13 177.640 0.000 . 1 . . . . . . . . 6081 1
864 . 1 1 83 83 GLY N N 15 108.039 0.000 . 1 . . . . . . . . 6081 1
865 . 1 1 83 83 GLY H H 1 8.193 0.000 . 1 . . . . . . . . 6081 1
866 . 1 1 83 83 GLY CA C 13 44.904 0.000 . 1 . . . . . . . . 6081 1
867 . 1 1 83 83 GLY HA2 H 1 4.050 0.000 . 1 . . . . . . . . 6081 1
868 . 1 1 83 83 GLY HA3 H 1 3.800 0.000 . 1 . . . . . . . . 6081 1
869 . 1 1 83 83 GLY C C 13 173.576 0.000 . 1 . . . . . . . . 6081 1
870 . 1 1 84 84 GLU N N 15 120.240 0.000 . 1 . . . . . . . . 6081 1
871 . 1 1 84 84 GLU H H 1 8.193 0.000 . 1 . . . . . . . . 6081 1
872 . 1 1 84 84 GLU CA C 13 56.153 0.000 . 1 . . . . . . . . 6081 1
873 . 1 1 84 84 GLU HA H 1 4.381 0.000 . 1 . . . . . . . . 6081 1
874 . 1 1 84 84 GLU CB C 13 30.549 0.000 . 1 . . . . . . . . 6081 1
875 . 1 1 84 84 GLU HB2 H 1 1.971 0.000 . 1 . . . . . . . . 6081 1
876 . 1 1 84 84 GLU CG C 13 36.375 0.000 . 1 . . . . . . . . 6081 1
877 . 1 1 84 84 GLU HG2 H 1 2.311 0.000 . 1 . . . . . . . . 6081 1
878 . 1 1 84 84 GLU C C 13 176.744 0.000 . 1 . . . . . . . . 6081 1
879 . 1 1 85 85 GLU N N 15 124.103 0.000 . 1 . . . . . . . . 6081 1
880 . 1 1 85 85 GLU H H 1 8.750 0.000 . 1 . . . . . . . . 6081 1
881 . 1 1 85 85 GLU CA C 13 56.369 0.000 . 1 . . . . . . . . 6081 1
882 . 1 1 85 85 GLU HA H 1 4.374 0.000 . 1 . . . . . . . . 6081 1
883 . 1 1 85 85 GLU CB C 13 30.549 0.000 . 1 . . . . . . . . 6081 1
884 . 1 1 85 85 GLU HB2 H 1 1.981 0.000 . 1 . . . . . . . . 6081 1
885 . 1 1 85 85 GLU CG C 13 36.591 0.000 . 1 . . . . . . . . 6081 1
886 . 1 1 85 85 GLU HG2 H 1 2.300 0.000 . 1 . . . . . . . . 6081 1
887 . 1 1 85 85 GLU C C 13 176.195 0.000 . 1 . . . . . . . . 6081 1
888 . 1 1 86 86 VAL N N 15 122.885 0.000 . 1 . . . . . . . . 6081 1
889 . 1 1 86 86 VAL H H 1 8.311 0.000 . 1 . . . . . . . . 6081 1
890 . 1 1 86 86 VAL CA C 13 62.116 0.000 . 1 . . . . . . . . 6081 1
891 . 1 1 86 86 VAL HA H 1 4.128 0.004 . 1 . . . . . . . . 6081 1
892 . 1 1 86 86 VAL CB C 13 32.949 0.000 . 1 . . . . . . . . 6081 1
893 . 1 1 86 86 VAL HB H 1 2.049 0.006 . 1 . . . . . . . . 6081 1
894 . 1 1 86 86 VAL HG11 H 1 0.943 0.011 . 1 . . . . . . . . 6081 1
895 . 1 1 86 86 VAL HG12 H 1 0.943 0.011 . 1 . . . . . . . . 6081 1
896 . 1 1 86 86 VAL HG13 H 1 0.943 0.011 . 1 . . . . . . . . 6081 1
897 . 1 1 86 86 VAL HG21 H 1 0.915 0.008 . 1 . . . . . . . . 6081 1
898 . 1 1 86 86 VAL HG22 H 1 0.915 0.008 . 1 . . . . . . . . 6081 1
899 . 1 1 86 86 VAL HG23 H 1 0.915 0.008 . 1 . . . . . . . . 6081 1
900 . 1 1 86 86 VAL CG1 C 13 21.046 0.000 . 1 . . . . . . . . 6081 1
901 . 1 1 86 86 VAL CG2 C 13 20.779 0.000 . 1 . . . . . . . . 6081 1
902 . 1 1 86 86 VAL C C 13 175.464 0.000 . 1 . . . . . . . . 6081 1
903 . 1 1 87 87 ASN N N 15 124.719 0.000 . 1 . . . . . . . . 6081 1
904 . 1 1 87 87 ASN H H 1 8.693 0.000 . 1 . . . . . . . . 6081 1
905 . 1 1 87 87 ASN CA C 13 51.190 0.000 . 1 . . . . . . . . 6081 1
906 . 1 1 87 87 ASN HA H 1 5.052 0.001 . 1 . . . . . . . . 6081 1
907 . 1 1 87 87 ASN CB C 13 38.809 0.000 . 1 . . . . . . . . 6081 1
908 . 1 1 87 87 ASN HB2 H 1 2.967 0.004 . 1 . . . . . . . . 6081 1
909 . 1 1 87 87 ASN HB3 H 1 2.873 0.004 . 1 . . . . . . . . 6081 1
910 . 1 1 87 87 ASN ND2 N 15 113.240 0.000 . 1 . . . . . . . . 6081 1
911 . 1 1 87 87 ASN HD21 H 1 7.738 0.000 . 1 . . . . . . . . 6081 1
912 . 1 1 87 87 ASN HD22 H 1 7.085 0.000 . 1 . . . . . . . . 6081 1
913 . 1 1 88 88 PRO CA C 13 65.015 0.000 . 1 . . . . . . . . 6081 1
914 . 1 1 88 88 PRO HA H 1 4.390 0.007 . 1 . . . . . . . . 6081 1
915 . 1 1 88 88 PRO CB C 13 32.012 0.000 . 1 . . . . . . . . 6081 1
916 . 1 1 88 88 PRO HB2 H 1 2.401 0.002 . 1 . . . . . . . . 6081 1
917 . 1 1 88 88 PRO HB3 H 1 2.034 0.008 . 1 . . . . . . . . 6081 1
918 . 1 1 88 88 PRO HD2 H 1 3.891 0.005 . 1 . . . . . . . . 6081 1
919 . 1 1 88 88 PRO HD3 H 1 3.939 0.002 . 1 . . . . . . . . 6081 1
920 . 1 1 88 88 PRO C C 13 178.139 0.000 . 1 . . . . . . . . 6081 1
921 . 1 1 89 89 GLU N N 15 118.863 0.000 . 1 . . . . . . . . 6081 1
922 . 1 1 89 89 GLU H H 1 8.347 0.000 . 1 . . . . . . . . 6081 1
923 . 1 1 89 89 GLU CA C 13 58.831 0.000 . 1 . . . . . . . . 6081 1
924 . 1 1 89 89 GLU HA H 1 4.193 0.006 . 1 . . . . . . . . 6081 1
925 . 1 1 89 89 GLU CB C 13 29.281 0.000 . 1 . . . . . . . . 6081 1
926 . 1 1 89 89 GLU HB2 H 1 2.085 0.011 . 1 . . . . . . . . 6081 1
927 . 1 1 89 89 GLU CG C 13 36.644 0.000 . 1 . . . . . . . . 6081 1
928 . 1 1 89 89 GLU HG2 H 1 2.332 0.006 . 1 . . . . . . . . 6081 1
929 . 1 1 89 89 GLU C C 13 178.264 0.000 . 1 . . . . . . . . 6081 1
930 . 1 1 90 90 GLN N N 15 120.861 0.000 . 1 . . . . . . . . 6081 1
931 . 1 1 90 90 GLN H H 1 7.991 0.000 . 1 . . . . . . . . 6081 1
932 . 1 1 90 90 GLN CA C 13 58.484 0.000 . 1 . . . . . . . . 6081 1
933 . 1 1 90 90 GLN CB C 13 28.538 0.000 . 1 . . . . . . . . 6081 1
934 . 1 1 90 90 GLN NE2 N 15 112.415 0.000 . 1 . . . . . . . . 6081 1
935 . 1 1 90 90 GLN HE21 H 1 6.850 0.000 . 1 . . . . . . . . 6081 1
936 . 1 1 90 90 GLN HE22 H 1 7.705 0.000 . 1 . . . . . . . . 6081 1
937 . 1 1 90 90 GLN C C 13 176.450 0.000 . 1 . . . . . . . . 6081 1
938 . 1 1 91 91 MET N N 15 119.697 0.000 . 1 . . . . . . . . 6081 1
939 . 1 1 91 91 MET H H 1 8.526 0.000 . 1 . . . . . . . . 6081 1
940 . 1 1 91 91 MET CA C 13 58.280 0.000 . 1 . . . . . . . . 6081 1
941 . 1 1 91 91 MET CB C 13 32.359 0.000 . 1 . . . . . . . . 6081 1
942 . 1 1 91 91 MET C C 13 178.032 0.000 . 1 . . . . . . . . 6081 1
943 . 1 1 92 92 GLN N N 15 118.309 0.000 . 1 . . . . . . . . 6081 1
944 . 1 1 92 92 GLN H H 1 8.218 0.000 . 1 . . . . . . . . 6081 1
945 . 1 1 92 92 GLN CA C 13 59.043 0.000 . 1 . . . . . . . . 6081 1
946 . 1 1 92 92 GLN HA H 1 4.127 0.000 . 1 . . . . . . . . 6081 1
947 . 1 1 92 92 GLN CB C 13 28.260 0.000 . 1 . . . . . . . . 6081 1
948 . 1 1 92 92 GLN HB2 H 1 2.251 0.002 . 1 . . . . . . . . 6081 1
949 . 1 1 92 92 GLN CG C 13 34.456 0.000 . 1 . . . . . . . . 6081 1
950 . 1 1 92 92 GLN HG2 H 1 2.615 0.003 . 1 . . . . . . . . 6081 1
951 . 1 1 92 92 GLN HG3 H 1 2.476 0.001 . 1 . . . . . . . . 6081 1
952 . 1 1 92 92 GLN NE2 N 15 111.790 0.004 . 1 . . . . . . . . 6081 1
953 . 1 1 92 92 GLN HE21 H 1 6.853 0.000 . 1 . . . . . . . . 6081 1
954 . 1 1 92 92 GLN HE22 H 1 7.289 0.000 . 1 . . . . . . . . 6081 1
955 . 1 1 92 92 GLN C C 13 177.747 0.000 . 1 . . . . . . . . 6081 1
956 . 1 1 93 93 GLN N N 15 119.541 0.000 . 1 . . . . . . . . 6081 1
957 . 1 1 93 93 GLN H H 1 8.067 0.000 . 1 . . . . . . . . 6081 1
958 . 1 1 93 93 GLN CA C 13 59.613 0.000 . 1 . . . . . . . . 6081 1
959 . 1 1 93 93 GLN HA H 1 4.044 0.022 . 1 . . . . . . . . 6081 1
960 . 1 1 93 93 GLN CB C 13 28.051 0.000 . 1 . . . . . . . . 6081 1
961 . 1 1 93 93 GLN HB2 H 1 2.246 0.009 . 1 . . . . . . . . 6081 1
962 . 1 1 93 93 GLN HG2 H 1 2.479 0.002 . 1 . . . . . . . . 6081 1
963 . 1 1 93 93 GLN NE2 N 15 112.070 0.000 . 1 . . . . . . . . 6081 1
964 . 1 1 93 93 GLN HE21 H 1 6.815 0.000 . 1 . . . . . . . . 6081 1
965 . 1 1 93 93 GLN HE22 H 1 7.657 0.000 . 1 . . . . . . . . 6081 1
966 . 1 1 93 93 GLN C C 13 176.534 0.000 . 1 . . . . . . . . 6081 1
967 . 1 1 94 94 GLU N N 15 120.074 0.000 . 1 . . . . . . . . 6081 1
968 . 1 1 94 94 GLU H H 1 8.432 0.000 . 1 . . . . . . . . 6081 1
969 . 1 1 94 94 GLU CA C 13 59.463 0.000 . 1 . . . . . . . . 6081 1
970 . 1 1 94 94 GLU HA H 1 4.105 0.008 . 1 . . . . . . . . 6081 1
971 . 1 1 94 94 GLU CB C 13 29.232 0.000 . 1 . . . . . . . . 6081 1
972 . 1 1 94 94 GLU HB2 H 1 2.184 0.002 . 1 . . . . . . . . 6081 1
973 . 1 1 94 94 GLU HG2 H 1 2.477 0.003 . 1 . . . . . . . . 6081 1
974 . 1 1 94 94 GLU C C 13 179.367 0.000 . 1 . . . . . . . . 6081 1
975 . 1 1 95 95 LEU N N 15 121.492 0.000 . 1 . . . . . . . . 6081 1
976 . 1 1 95 95 LEU H H 1 8.317 0.000 . 1 . . . . . . . . 6081 1
977 . 1 1 95 95 LEU CA C 13 58.345 0.000 . 1 . . . . . . . . 6081 1
978 . 1 1 95 95 LEU HA H 1 4.483 0.004 . 1 . . . . . . . . 6081 1
979 . 1 1 95 95 LEU CB C 13 41.878 0.000 . 1 . . . . . . . . 6081 1
980 . 1 1 95 95 LEU HB2 H 1 1.750 0.013 . 1 . . . . . . . . 6081 1
981 . 1 1 95 95 LEU HB3 H 1 2.210 0.004 . 1 . . . . . . . . 6081 1
982 . 1 1 95 95 LEU CG C 13 26.940 0.000 . 1 . . . . . . . . 6081 1
983 . 1 1 95 95 LEU HG H 1 1.991 0.006 . 1 . . . . . . . . 6081 1
984 . 1 1 95 95 LEU HD11 H 1 0.932 0.006 . 1 . . . . . . . . 6081 1
985 . 1 1 95 95 LEU HD12 H 1 0.932 0.006 . 1 . . . . . . . . 6081 1
986 . 1 1 95 95 LEU HD13 H 1 0.932 0.006 . 1 . . . . . . . . 6081 1
987 . 1 1 95 95 LEU HD21 H 1 0.883 0.000 . 1 . . . . . . . . 6081 1
988 . 1 1 95 95 LEU HD22 H 1 0.883 0.000 . 1 . . . . . . . . 6081 1
989 . 1 1 95 95 LEU HD23 H 1 0.883 0.000 . 1 . . . . . . . . 6081 1
990 . 1 1 95 95 LEU CD1 C 13 23.518 0.000 . 1 . . . . . . . . 6081 1
991 . 1 1 95 95 LEU C C 13 179.209 0.000 . 1 . . . . . . . . 6081 1
992 . 1 1 96 96 ARG N N 15 120.837 0.000 . 1 . . . . . . . . 6081 1
993 . 1 1 96 96 ARG H H 1 8.476 0.000 . 1 . . . . . . . . 6081 1
994 . 1 1 96 96 ARG CA C 13 59.842 0.000 . 1 . . . . . . . . 6081 1
995 . 1 1 96 96 ARG HA H 1 4.026 0.006 . 1 . . . . . . . . 6081 1
996 . 1 1 96 96 ARG CB C 13 29.442 0.000 . 1 . . . . . . . . 6081 1
997 . 1 1 96 96 ARG HB2 H 1 1.912 0.002 . 1 . . . . . . . . 6081 1
998 . 1 1 96 96 ARG CG C 13 27.894 0.000 . 1 . . . . . . . . 6081 1
999 . 1 1 96 96 ARG HG2 H 1 1.341 0.003 . 1 . . . . . . . . 6081 1
1000 . 1 1 96 96 ARG HG3 H 1 1.550 0.005 . 1 . . . . . . . . 6081 1
1001 . 1 1 96 96 ARG CD C 13 43.207 0.000 . 1 . . . . . . . . 6081 1
1002 . 1 1 96 96 ARG HD2 H 1 2.854 0.003 . 1 . . . . . . . . 6081 1
1003 . 1 1 96 96 ARG HD3 H 1 2.927 0.006 . 1 . . . . . . . . 6081 1
1004 . 1 1 96 96 ARG NE N 15 124.236 0.000 . 1 . . . . . . . . 6081 1
1005 . 1 1 96 96 ARG HE H 1 7.040 0.000 . 1 . . . . . . . . 6081 1
1006 . 1 1 96 96 ARG C C 13 179.191 0.000 . 1 . . . . . . . . 6081 1
1007 . 1 1 97 97 GLU N N 15 119.205 0.000 . 1 . . . . . . . . 6081 1
1008 . 1 1 97 97 GLU H H 1 8.004 0.000 . 1 . . . . . . . . 6081 1
1009 . 1 1 97 97 GLU CA C 13 59.146 0.000 . 1 . . . . . . . . 6081 1
1010 . 1 1 97 97 GLU HA H 1 4.115 0.005 . 1 . . . . . . . . 6081 1
1011 . 1 1 97 97 GLU CB C 13 28.941 0.000 . 1 . . . . . . . . 6081 1
1012 . 1 1 97 97 GLU HB2 H 1 2.138 0.007 . 1 . . . . . . . . 6081 1
1013 . 1 1 97 97 GLU CG C 13 36.097 0.000 . 1 . . . . . . . . 6081 1
1014 . 1 1 97 97 GLU HG2 H 1 2.345 0.005 . 1 . . . . . . . . 6081 1
1015 . 1 1 97 97 GLU C C 13 178.750 0.000 . 1 . . . . . . . . 6081 1
1016 . 1 1 98 98 ALA N N 15 122.304 0.000 . 1 . . . . . . . . 6081 1
1017 . 1 1 98 98 ALA H H 1 7.995 0.000 . 1 . . . . . . . . 6081 1
1018 . 1 1 98 98 ALA CA C 13 54.984 0.000 . 1 . . . . . . . . 6081 1
1019 . 1 1 98 98 ALA HA H 1 4.127 0.004 . 1 . . . . . . . . 6081 1
1020 . 1 1 98 98 ALA HB1 H 1 1.782 0.002 . 1 . . . . . . . . 6081 1
1021 . 1 1 98 98 ALA HB2 H 1 1.782 0.002 . 1 . . . . . . . . 6081 1
1022 . 1 1 98 98 ALA HB3 H 1 1.782 0.002 . 1 . . . . . . . . 6081 1
1023 . 1 1 98 98 ALA CB C 13 17.919 0.000 . 1 . . . . . . . . 6081 1
1024 . 1 1 98 98 ALA C C 13 175.464 0.000 . 1 . . . . . . . . 6081 1
1025 . 1 1 99 99 PHE N N 15 117.693 0.000 . 1 . . . . . . . . 6081 1
1026 . 1 1 99 99 PHE H H 1 8.466 0.000 . 1 . . . . . . . . 6081 1
1027 . 1 1 99 99 PHE CA C 13 61.959 0.000 . 1 . . . . . . . . 6081 1
1028 . 1 1 99 99 PHE HA H 1 3.661 0.006 . 1 . . . . . . . . 6081 1
1029 . 1 1 99 99 PHE CB C 13 39.915 0.000 . 1 . . . . . . . . 6081 1
1030 . 1 1 99 99 PHE HB2 H 1 3.004 0.008 . 1 . . . . . . . . 6081 1
1031 . 1 1 99 99 PHE HB3 H 1 3.117 0.000 . 1 . . . . . . . . 6081 1
1032 . 1 1 99 99 PHE CD1 C 13 131.814 0.000 . 1 . . . . . . . . 6081 1
1033 . 1 1 99 99 PHE CE1 C 13 130.770 0.000 . 1 . . . . . . . . 6081 1
1034 . 1 1 99 99 PHE CZ C 13 128.944 0.000 . 1 . . . . . . . . 6081 1
1035 . 1 1 99 99 PHE HZ H 1 7.211 0.006 . 1 . . . . . . . . 6081 1
1036 . 1 1 99 99 PHE HD1 H 1 6.347 0.001 . 1 . . . . . . . . 6081 1
1037 . 1 1 99 99 PHE HE1 H 1 6.959 0.001 . 1 . . . . . . . . 6081 1
1038 . 1 1 99 99 PHE C C 13 177.015 0.000 . 1 . . . . . . . . 6081 1
1039 . 1 1 100 100 ARG N N 15 116.151 0.000 . 1 . . . . . . . . 6081 1
1040 . 1 1 100 100 ARG H H 1 7.831 0.000 . 1 . . . . . . . . 6081 1
1041 . 1 1 100 100 ARG CA C 13 58.548 0.000 . 1 . . . . . . . . 6081 1
1042 . 1 1 100 100 ARG HA H 1 3.881 0.017 . 1 . . . . . . . . 6081 1
1043 . 1 1 100 100 ARG CB C 13 29.984 0.000 . 1 . . . . . . . . 6081 1
1044 . 1 1 100 100 ARG HB2 H 1 1.905 0.003 . 1 . . . . . . . . 6081 1
1045 . 1 1 100 100 ARG CG C 13 27.838 0.000 . 1 . . . . . . . . 6081 1
1046 . 1 1 100 100 ARG HG2 H 1 1.745 0.117 . 1 . . . . . . . . 6081 1
1047 . 1 1 100 100 ARG CD C 13 43.453 0.000 . 1 . . . . . . . . 6081 1
1048 . 1 1 100 100 ARG HD2 H 1 2.996 0.029 . 1 . . . . . . . . 6081 1
1049 . 1 1 100 100 ARG NE N 15 124.805 0.000 . 1 . . . . . . . . 6081 1
1050 . 1 1 100 100 ARG HE H 1 7.280 0.000 . 1 . . . . . . . . 6081 1
1051 . 1 1 100 100 ARG C C 13 177.996 0.000 . 1 . . . . . . . . 6081 1
1052 . 1 1 101 101 LEU N N 15 118.193 0.000 . 1 . . . . . . . . 6081 1
1053 . 1 1 101 101 LEU H H 1 7.378 0.000 . 1 . . . . . . . . 6081 1
1054 . 1 1 101 101 LEU CA C 13 57.000 0.000 . 1 . . . . . . . . 6081 1
1055 . 1 1 101 101 LEU HA H 1 3.901 0.004 . 1 . . . . . . . . 6081 1
1056 . 1 1 101 101 LEU CB C 13 41.138 0.000 . 1 . . . . . . . . 6081 1
1057 . 1 1 101 101 LEU HB2 H 1 1.272 0.003 . 1 . . . . . . . . 6081 1
1058 . 1 1 101 101 LEU HB3 H 1 1.551 0.038 . 1 . . . . . . . . 6081 1
1059 . 1 1 101 101 LEU HG H 1 1.537 0.008 . 1 . . . . . . . . 6081 1
1060 . 1 1 101 101 LEU HD11 H 1 0.805 0.005 . 1 . . . . . . . . 6081 1
1061 . 1 1 101 101 LEU HD12 H 1 0.805 0.005 . 1 . . . . . . . . 6081 1
1062 . 1 1 101 101 LEU HD13 H 1 0.805 0.005 . 1 . . . . . . . . 6081 1
1063 . 1 1 101 101 LEU HD21 H 1 0.710 0.005 . 1 . . . . . . . . 6081 1
1064 . 1 1 101 101 LEU HD22 H 1 0.710 0.005 . 1 . . . . . . . . 6081 1
1065 . 1 1 101 101 LEU HD23 H 1 0.710 0.005 . 1 . . . . . . . . 6081 1
1066 . 1 1 101 101 LEU CD1 C 13 24.786 0.000 . 1 . . . . . . . . 6081 1
1067 . 1 1 101 101 LEU CD2 C 13 23.451 0.000 . 1 . . . . . . . . 6081 1
1068 . 1 1 101 101 LEU C C 13 178.940 0.000 . 1 . . . . . . . . 6081 1
1069 . 1 1 102 102 TYR N N 15 116.256 0.000 . 1 . . . . . . . . 6081 1
1070 . 1 1 102 102 TYR H H 1 7.313 0.000 . 1 . . . . . . . . 6081 1
1071 . 1 1 102 102 TYR CA C 13 59.242 0.000 . 1 . . . . . . . . 6081 1
1072 . 1 1 102 102 TYR HA H 1 4.417 0.004 . 1 . . . . . . . . 6081 1
1073 . 1 1 102 102 TYR CB C 13 39.020 0.000 . 1 . . . . . . . . 6081 1
1074 . 1 1 102 102 TYR HB2 H 1 2.470 0.011 . 1 . . . . . . . . 6081 1
1075 . 1 1 102 102 TYR HB3 H 1 2.965 0.013 . 1 . . . . . . . . 6081 1
1076 . 1 1 102 102 TYR CD1 C 13 133.380 0.000 . 1 . . . . . . . . 6081 1
1077 . 1 1 102 102 TYR CE1 C 13 118.247 0.000 . 1 . . . . . . . . 6081 1
1078 . 1 1 102 102 TYR HE1 H 1 6.809 0.001 . 1 . . . . . . . . 6081 1
1079 . 1 1 102 102 TYR HD1 H 1 7.037 0.000 . 1 . . . . . . . . 6081 1
1080 . 1 1 102 102 TYR C C 13 176.748 0.000 . 1 . . . . . . . . 6081 1
1081 . 1 1 103 103 ASP N N 15 121.620 0.000 . 1 . . . . . . . . 6081 1
1082 . 1 1 103 103 ASP H H 1 7.866 0.000 . 1 . . . . . . . . 6081 1
1083 . 1 1 103 103 ASP CA C 13 51.922 0.000 . 1 . . . . . . . . 6081 1
1084 . 1 1 103 103 ASP HA H 1 4.703 0.013 . 1 . . . . . . . . 6081 1
1085 . 1 1 103 103 ASP CB C 13 38.809 0.000 . 1 . . . . . . . . 6081 1
1086 . 1 1 103 103 ASP HB2 H 1 1.614 0.002 . 1 . . . . . . . . 6081 1
1087 . 1 1 103 103 ASP HB3 H 1 2.381 0.005 . 1 . . . . . . . . 6081 1
1088 . 1 1 103 103 ASP C C 13 176.623 0.000 . 1 . . . . . . . . 6081 1
1089 . 1 1 104 104 LYS N N 15 122.680 0.000 . 1 . . . . . . . . 6081 1
1090 . 1 1 104 104 LYS H H 1 7.615 0.000 . 1 . . . . . . . . 6081 1
1091 . 1 1 104 104 LYS CA C 13 59.069 0.000 . 1 . . . . . . . . 6081 1
1092 . 1 1 104 104 LYS HA H 1 3.987 0.005 . 1 . . . . . . . . 6081 1
1093 . 1 1 104 104 LYS CB C 13 32.567 0.000 . 1 . . . . . . . . 6081 1
1094 . 1 1 104 104 LYS HB2 H 1 1.821 0.013 . 1 . . . . . . . . 6081 1
1095 . 1 1 104 104 LYS CG C 13 25.159 0.000 . 1 . . . . . . . . 6081 1
1096 . 1 1 104 104 LYS HG2 H 1 1.467 0.004 . 1 . . . . . . . . 6081 1
1097 . 1 1 104 104 LYS CD C 13 29.534 0.000 . 1 . . . . . . . . 6081 1
1098 . 1 1 104 104 LYS HD2 H 1 1.733 0.009 . 1 . . . . . . . . 6081 1
1099 . 1 1 104 104 LYS HE2 H 1 3.048 0.011 . 1 . . . . . . . . 6081 1
1100 . 1 1 104 104 LYS C C 13 178.806 0.000 . 1 . . . . . . . . 6081 1
1101 . 1 1 105 105 GLU N N 15 115.981 0.000 . 1 . . . . . . . . 6081 1
1102 . 1 1 105 105 GLU H H 1 8.635 0.000 . 1 . . . . . . . . 6081 1
1103 . 1 1 105 105 GLU CA C 13 56.811 0.000 . 1 . . . . . . . . 6081 1
1104 . 1 1 105 105 GLU HA H 1 4.185 0.002 . 1 . . . . . . . . 6081 1
1105 . 1 1 105 105 GLU CB C 13 29.419 0.000 . 1 . . . . . . . . 6081 1
1106 . 1 1 105 105 GLU HB2 H 1 1.899 0.012 . 1 . . . . . . . . 6081 1
1107 . 1 1 105 105 GLU HB3 H 1 2.061 0.011 . 1 . . . . . . . . 6081 1
1108 . 1 1 105 105 GLU CG C 13 37.191 0.000 . 1 . . . . . . . . 6081 1
1109 . 1 1 105 105 GLU HG2 H 1 2.319 0.009 . 1 . . . . . . . . 6081 1
1110 . 1 1 105 105 GLU C C 13 176.980 0.000 . 1 . . . . . . . . 6081 1
1111 . 1 1 106 106 GLY N N 15 109.560 0.000 . 1 . . . . . . . . 6081 1
1112 . 1 1 106 106 GLY H H 1 7.658 0.000 . 1 . . . . . . . . 6081 1
1113 . 1 1 106 106 GLY CA C 13 47.022 0.000 . 1 . . . . . . . . 6081 1
1114 . 1 1 106 106 GLY HA2 H 1 3.830 0.000 . 1 . . . . . . . . 6081 1
1115 . 1 1 106 106 GLY HA3 H 1 3.630 0.000 . 1 . . . . . . . . 6081 1
1116 . 1 1 106 106 GLY C C 13 176.159 0.000 . 1 . . . . . . . . 6081 1
1117 . 1 1 107 107 ASN N N 15 120.859 0.000 . 1 . . . . . . . . 6081 1
1118 . 1 1 107 107 ASN H H 1 9.831 0.000 . 1 . . . . . . . . 6081 1
1119 . 1 1 107 107 ASN CA C 13 54.571 0.000 . 1 . . . . . . . . 6081 1
1120 . 1 1 107 107 ASN HA H 1 4.487 0.005 . 1 . . . . . . . . 6081 1
1121 . 1 1 107 107 ASN CB C 13 38.950 0.000 . 1 . . . . . . . . 6081 1
1122 . 1 1 107 107 ASN HB2 H 1 2.071 0.009 . 1 . . . . . . . . 6081 1
1123 . 1 1 107 107 ASN HB3 H 1 2.171 0.003 . 1 . . . . . . . . 6081 1
1124 . 1 1 107 107 ASN ND2 N 15 114.486 0.001 . 1 . . . . . . . . 6081 1
1125 . 1 1 107 107 ASN HD21 H 1 7.607 0.000 . 1 . . . . . . . . 6081 1
1126 . 1 1 107 107 ASN HD22 H 1 6.998 0.000 . 1 . . . . . . . . 6081 1
1127 . 1 1 107 107 ASN C C 13 176.641 0.000 . 1 . . . . . . . . 6081 1
1128 . 1 1 108 108 GLY N N 15 111.402 0.000 . 1 . . . . . . . . 6081 1
1129 . 1 1 108 108 GLY H H 1 10.862 0.000 . 1 . . . . . . . . 6081 1
1130 . 1 1 108 108 GLY CA C 13 45.110 0.000 . 1 . . . . . . . . 6081 1
1131 . 1 1 108 108 GLY HA2 H 1 4.320 0.000 . 1 . . . . . . . . 6081 1
1132 . 1 1 108 108 GLY HA3 H 1 3.630 0.000 . 1 . . . . . . . . 6081 1
1133 . 1 1 108 108 GLY C C 13 173.281 0.000 . 1 . . . . . . . . 6081 1
1134 . 1 1 109 109 TYR N N 15 114.231 0.000 . 1 . . . . . . . . 6081 1
1135 . 1 1 109 109 TYR H H 1 7.089 0.000 . 1 . . . . . . . . 6081 1
1136 . 1 1 109 109 TYR CA C 13 55.990 0.000 . 1 . . . . . . . . 6081 1
1137 . 1 1 109 109 TYR HA H 1 5.414 0.003 . 1 . . . . . . . . 6081 1
1138 . 1 1 109 109 TYR CB C 13 39.938 0.000 . 1 . . . . . . . . 6081 1
1139 . 1 1 109 109 TYR HB2 H 1 2.712 0.013 . 1 . . . . . . . . 6081 1
1140 . 1 1 109 109 TYR HB3 H 1 3.089 0.004 . 1 . . . . . . . . 6081 1
1141 . 1 1 109 109 TYR CD1 C 13 133.640 0.000 . 1 . . . . . . . . 6081 1
1142 . 1 1 109 109 TYR CE1 C 13 118.247 0.000 . 1 . . . . . . . . 6081 1
1143 . 1 1 109 109 TYR HE1 H 1 6.781 0.001 . 1 . . . . . . . . 6081 1
1144 . 1 1 109 109 TYR HD1 H 1 6.676 0.001 . 1 . . . . . . . . 6081 1
1145 . 1 1 109 109 TYR C C 13 172.949 0.000 . 1 . . . . . . . . 6081 1
1146 . 1 1 110 110 ILE N N 15 112.723 0.000 . 1 . . . . . . . . 6081 1
1147 . 1 1 110 110 ILE H H 1 8.990 0.000 . 1 . . . . . . . . 6081 1
1148 . 1 1 110 110 ILE CA C 13 59.043 0.000 . 1 . . . . . . . . 6081 1
1149 . 1 1 110 110 ILE HA H 1 4.802 0.017 . 1 . . . . . . . . 6081 1
1150 . 1 1 110 110 ILE CB C 13 41.703 0.000 . 1 . . . . . . . . 6081 1
1151 . 1 1 110 110 ILE HB H 1 1.828 0.004 . 1 . . . . . . . . 6081 1
1152 . 1 1 110 110 ILE HG21 H 1 0.472 0.004 . 1 . . . . . . . . 6081 1
1153 . 1 1 110 110 ILE HG22 H 1 0.472 0.004 . 1 . . . . . . . . 6081 1
1154 . 1 1 110 110 ILE HG23 H 1 0.472 0.004 . 1 . . . . . . . . 6081 1
1155 . 1 1 110 110 ILE CG2 C 13 17.503 0.000 . 1 . . . . . . . . 6081 1
1156 . 1 1 110 110 ILE CG1 C 13 25.706 0.000 . 1 . . . . . . . . 6081 1
1157 . 1 1 110 110 ILE HG12 H 1 1.103 0.007 . 1 . . . . . . . . 6081 1
1158 . 1 1 110 110 ILE HG13 H 1 1.404 0.007 . 1 . . . . . . . . 6081 1
1159 . 1 1 110 110 ILE HD11 H 1 0.646 0.004 . 1 . . . . . . . . 6081 1
1160 . 1 1 110 110 ILE HD12 H 1 0.646 0.004 . 1 . . . . . . . . 6081 1
1161 . 1 1 110 110 ILE HD13 H 1 0.646 0.004 . 1 . . . . . . . . 6081 1
1162 . 1 1 110 110 ILE CD1 C 13 13.674 0.000 . 1 . . . . . . . . 6081 1
1163 . 1 1 110 110 ILE C C 13 175.731 0.000 . 1 . . . . . . . . 6081 1
1164 . 1 1 111 111 SER N N 15 119.736 0.000 . 1 . . . . . . . . 6081 1
1165 . 1 1 111 111 SER H H 1 9.012 0.000 . 1 . . . . . . . . 6081 1
1166 . 1 1 111 111 SER CA C 13 57.942 0.000 . 1 . . . . . . . . 6081 1
1167 . 1 1 111 111 SER HA H 1 4.713 0.011 . 1 . . . . . . . . 6081 1
1168 . 1 1 111 111 SER CB C 13 64.294 0.000 . 1 . . . . . . . . 6081 1
1169 . 1 1 111 111 SER HB2 H 1 4.167 0.004 . 1 . . . . . . . . 6081 1
1170 . 1 1 111 111 SER HB3 H 1 4.574 0.003 . 1 . . . . . . . . 6081 1
1171 . 1 1 111 111 SER C C 13 176.017 0.000 . 1 . . . . . . . . 6081 1
1172 . 1 1 112 112 THR N N 15 111.996 0.000 . 1 . . . . . . . . 6081 1
1173 . 1 1 112 112 THR H H 1 8.345 0.000 . 1 . . . . . . . . 6081 1
1174 . 1 1 112 112 THR CA C 13 65.621 0.000 . 1 . . . . . . . . 6081 1
1175 . 1 1 112 112 THR HA H 1 4.331 0.000 . 1 . . . . . . . . 6081 1
1176 . 1 1 112 112 THR CB C 13 67.471 0.000 . 1 . . . . . . . . 6081 1
1177 . 1 1 112 112 THR HB H 1 3.818 0.005 . 1 . . . . . . . . 6081 1
1178 . 1 1 112 112 THR HG21 H 1 1.033 0.000 . 1 . . . . . . . . 6081 1
1179 . 1 1 112 112 THR HG22 H 1 1.033 0.000 . 1 . . . . . . . . 6081 1
1180 . 1 1 112 112 THR HG23 H 1 1.033 0.000 . 1 . . . . . . . . 6081 1
1181 . 1 1 112 112 THR C C 13 177.051 0.000 . 1 . . . . . . . . 6081 1
1182 . 1 1 113 113 ASP N N 15 120.961 0.000 . 1 . . . . . . . . 6081 1
1183 . 1 1 113 113 ASP H H 1 8.131 0.000 . 1 . . . . . . . . 6081 1
1184 . 1 1 113 113 ASP CA C 13 57.736 0.000 . 1 . . . . . . . . 6081 1
1185 . 1 1 113 113 ASP HA H 1 4.391 0.002 . 1 . . . . . . . . 6081 1
1186 . 1 1 113 113 ASP CB C 13 40.220 0.000 . 1 . . . . . . . . 6081 1
1187 . 1 1 113 113 ASP HB2 H 1 2.637 0.023 . 1 . . . . . . . . 6081 1
1188 . 1 1 113 113 ASP HB3 H 1 2.747 0.007 . 1 . . . . . . . . 6081 1
1189 . 1 1 113 113 ASP C C 13 178.778 0.000 . 1 . . . . . . . . 6081 1
1190 . 1 1 114 114 VAL N N 15 122.384 0.000 . 1 . . . . . . . . 6081 1
1191 . 1 1 114 114 VAL H H 1 7.607 0.000 . 1 . . . . . . . . 6081 1
1192 . 1 1 114 114 VAL CA C 13 66.302 0.000 . 1 . . . . . . . . 6081 1
1193 . 1 1 114 114 VAL HA H 1 3.785 0.002 . 1 . . . . . . . . 6081 1
1194 . 1 1 114 114 VAL CB C 13 31.325 0.000 . 1 . . . . . . . . 6081 1
1195 . 1 1 114 114 VAL HB H 1 2.125 0.006 . 1 . . . . . . . . 6081 1
1196 . 1 1 114 114 VAL HG11 H 1 1.110 0.001 . 1 . . . . . . . . 6081 1
1197 . 1 1 114 114 VAL HG12 H 1 1.110 0.001 . 1 . . . . . . . . 6081 1
1198 . 1 1 114 114 VAL HG13 H 1 1.110 0.001 . 1 . . . . . . . . 6081 1
1199 . 1 1 114 114 VAL HG21 H 1 0.889 0.002 . 1 . . . . . . . . 6081 1
1200 . 1 1 114 114 VAL HG22 H 1 0.889 0.002 . 1 . . . . . . . . 6081 1
1201 . 1 1 114 114 VAL HG23 H 1 0.889 0.002 . 1 . . . . . . . . 6081 1
1202 . 1 1 114 114 VAL CG1 C 13 23.451 0.000 . 1 . . . . . . . . 6081 1
1203 . 1 1 114 114 VAL CG2 C 13 21.848 0.000 . 1 . . . . . . . . 6081 1
1204 . 1 1 114 114 VAL C C 13 178.085 0.000 . 1 . . . . . . . . 6081 1
1205 . 1 1 115 115 MET N N 15 119.216 0.000 . 1 . . . . . . . . 6081 1
1206 . 1 1 115 115 MET H H 1 7.793 0.000 . 1 . . . . . . . . 6081 1
1207 . 1 1 115 115 MET CA C 13 56.905 0.000 . 1 . . . . . . . . 6081 1
1208 . 1 1 115 115 MET HA H 1 4.353 0.005 . 1 . . . . . . . . 6081 1
1209 . 1 1 115 115 MET CB C 13 33.796 0.000 . 1 . . . . . . . . 6081 1
1210 . 1 1 115 115 MET HB2 H 1 1.738 0.006 . 1 . . . . . . . . 6081 1
1211 . 1 1 115 115 MET HB3 H 1 2.378 0.004 . 1 . . . . . . . . 6081 1
1212 . 1 1 115 115 MET CG C 13 32.269 0.000 . 1 . . . . . . . . 6081 1
1213 . 1 1 115 115 MET HG2 H 1 2.780 0.003 . 1 . . . . . . . . 6081 1
1214 . 1 1 115 115 MET HG3 H 1 2.333 0.006 . 1 . . . . . . . . 6081 1
1215 . 1 1 115 115 MET C C 13 177.408 0.000 . 1 . . . . . . . . 6081 1
1216 . 1 1 116 116 ARG N N 15 118.397 0.000 . 1 . . . . . . . . 6081 1
1217 . 1 1 116 116 ARG H H 1 8.366 0.000 . 1 . . . . . . . . 6081 1
1218 . 1 1 116 116 ARG CA C 13 60.626 0.000 . 1 . . . . . . . . 6081 1
1219 . 1 1 116 116 ARG HA H 1 3.754 0.004 . 1 . . . . . . . . 6081 1
1220 . 1 1 116 116 ARG CB C 13 30.690 0.000 . 1 . . . . . . . . 6081 1
1221 . 1 1 116 116 ARG HB2 H 1 1.995 0.003 . 1 . . . . . . . . 6081 1
1222 . 1 1 116 116 ARG CG C 13 29.510 0.000 . 1 . . . . . . . . 6081 1
1223 . 1 1 116 116 ARG HG2 H 1 1.743 0.011 . 1 . . . . . . . . 6081 1
1224 . 1 1 116 116 ARG HG3 H 1 1.546 0.002 . 1 . . . . . . . . 6081 1
1225 . 1 1 116 116 ARG CD C 13 43.407 0.000 . 1 . . . . . . . . 6081 1
1226 . 1 1 116 116 ARG HD2 H 1 3.243 0.005 . 1 . . . . . . . . 6081 1
1227 . 1 1 116 116 ARG NE N 15 124.202 0.000 . 1 . . . . . . . . 6081 1
1228 . 1 1 116 116 ARG HE H 1 7.441 0.000 . 1 . . . . . . . . 6081 1
1229 . 1 1 116 116 ARG C C 13 177.496 0.000 . 1 . . . . . . . . 6081 1
1230 . 1 1 117 117 GLU N N 15 118.156 0.000 . 1 . . . . . . . . 6081 1
1231 . 1 1 117 117 GLU H H 1 7.305 0.000 . 1 . . . . . . . . 6081 1
1232 . 1 1 117 117 GLU CA C 13 59.274 0.000 . 1 . . . . . . . . 6081 1
1233 . 1 1 117 117 GLU CB C 13 29.207 0.000 . 1 . . . . . . . . 6081 1
1234 . 1 1 117 117 GLU HB2 H 1 2.249 0.019 . 1 . . . . . . . . 6081 1
1235 . 1 1 117 117 GLU HG2 H 1 2.529 0.019 . 1 . . . . . . . . 6081 1
1236 . 1 1 117 117 GLU C C 13 179.441 0.000 . 1 . . . . . . . . 6081 1
1237 . 1 1 118 118 ILE N N 15 120.983 0.000 . 1 . . . . . . . . 6081 1
1238 . 1 1 118 118 ILE H H 1 7.944 0.000 . 1 . . . . . . . . 6081 1
1239 . 1 1 118 118 ILE CA C 13 65.706 0.000 . 1 . . . . . . . . 6081 1
1240 . 1 1 118 118 ILE HA H 1 3.627 0.016 . 1 . . . . . . . . 6081 1
1241 . 1 1 118 118 ILE CB C 13 38.597 0.000 . 1 . . . . . . . . 6081 1
1242 . 1 1 118 118 ILE HB H 1 1.969 0.005 . 1 . . . . . . . . 6081 1
1243 . 1 1 118 118 ILE HG21 H 1 0.779 0.005 . 1 . . . . . . . . 6081 1
1244 . 1 1 118 118 ILE HG22 H 1 0.779 0.005 . 1 . . . . . . . . 6081 1
1245 . 1 1 118 118 ILE HG23 H 1 0.779 0.005 . 1 . . . . . . . . 6081 1
1246 . 1 1 118 118 ILE CG2 C 13 16.409 0.000 . 1 . . . . . . . . 6081 1
1247 . 1 1 118 118 ILE CG1 C 13 28.987 0.000 . 1 . . . . . . . . 6081 1
1248 . 1 1 118 118 ILE HG12 H 1 0.613 0.008 . 1 . . . . . . . . 6081 1
1249 . 1 1 118 118 ILE HG13 H 1 1.578 0.009 . 1 . . . . . . . . 6081 1
1250 . 1 1 118 118 ILE HD11 H 1 0.245 0.002 . 1 . . . . . . . . 6081 1
1251 . 1 1 118 118 ILE HD12 H 1 0.245 0.002 . 1 . . . . . . . . 6081 1
1252 . 1 1 118 118 ILE HD13 H 1 0.245 0.002 . 1 . . . . . . . . 6081 1
1253 . 1 1 118 118 ILE CD1 C 13 14.221 0.000 . 1 . . . . . . . . 6081 1
1254 . 1 1 118 118 ILE C C 13 178.959 0.000 . 1 . . . . . . . . 6081 1
1255 . 1 1 119 119 LEU N N 15 118.377 0.000 . 1 . . . . . . . . 6081 1
1256 . 1 1 119 119 LEU H H 1 8.057 0.000 . 1 . . . . . . . . 6081 1
1257 . 1 1 119 119 LEU CA C 13 57.770 0.000 . 1 . . . . . . . . 6081 1
1258 . 1 1 119 119 LEU HA H 1 3.892 0.004 . 1 . . . . . . . . 6081 1
1259 . 1 1 119 119 LEU CB C 13 41.985 0.000 . 1 . . . . . . . . 6081 1
1260 . 1 1 119 119 LEU HB2 H 1 1.898 0.002 . 1 . . . . . . . . 6081 1
1261 . 1 1 119 119 LEU HB3 H 1 1.233 0.007 . 1 . . . . . . . . 6081 1
1262 . 1 1 119 119 LEU HD11 H 1 0.837 0.019 . 1 . . . . . . . . 6081 1
1263 . 1 1 119 119 LEU HD12 H 1 0.837 0.019 . 1 . . . . . . . . 6081 1
1264 . 1 1 119 119 LEU HD13 H 1 0.837 0.019 . 1 . . . . . . . . 6081 1
1265 . 1 1 119 119 LEU HD21 H 1 0.769 0.004 . 1 . . . . . . . . 6081 1
1266 . 1 1 119 119 LEU HD22 H 1 0.769 0.004 . 1 . . . . . . . . 6081 1
1267 . 1 1 119 119 LEU HD23 H 1 0.769 0.004 . 1 . . . . . . . . 6081 1
1268 . 1 1 119 119 LEU C C 13 178.656 0.000 . 1 . . . . . . . . 6081 1
1269 . 1 1 120 120 ALA N N 15 119.969 0.000 . 1 . . . . . . . . 6081 1
1270 . 1 1 120 120 ALA H H 1 8.067 0.000 . 1 . . . . . . . . 6081 1
1271 . 1 1 120 120 ALA CA C 13 54.020 0.000 . 1 . . . . . . . . 6081 1
1272 . 1 1 120 120 ALA HA H 1 4.139 0.002 . 1 . . . . . . . . 6081 1
1273 . 1 1 120 120 ALA HB1 H 1 1.458 0.000 . 1 . . . . . . . . 6081 1
1274 . 1 1 120 120 ALA HB2 H 1 1.458 0.000 . 1 . . . . . . . . 6081 1
1275 . 1 1 120 120 ALA HB3 H 1 1.458 0.000 . 1 . . . . . . . . 6081 1
1276 . 1 1 120 120 ALA CB C 13 18.605 0.000 . 1 . . . . . . . . 6081 1
1277 . 1 1 120 120 ALA C C 13 179.387 0.000 . 1 . . . . . . . . 6081 1
1278 . 1 1 121 121 GLU N N 15 116.044 0.000 . 1 . . . . . . . . 6081 1
1279 . 1 1 121 121 GLU H H 1 7.543 0.000 . 1 . . . . . . . . 6081 1
1280 . 1 1 121 121 GLU CA C 13 57.979 0.000 . 1 . . . . . . . . 6081 1
1281 . 1 1 121 121 GLU HA H 1 4.083 0.019 . 1 . . . . . . . . 6081 1
1282 . 1 1 121 121 GLU CB C 13 29.419 0.000 . 1 . . . . . . . . 6081 1
1283 . 1 1 121 121 GLU C C 13 178.763 0.000 . 1 . . . . . . . . 6081 1
1284 . 1 1 122 122 LEU N N 15 119.492 0.000 . 1 . . . . . . . . 6081 1
1285 . 1 1 122 122 LEU H H 1 7.612 0.000 . 1 . . . . . . . . 6081 1
1286 . 1 1 122 122 LEU CA C 13 56.779 0.000 . 1 . . . . . . . . 6081 1
1287 . 1 1 122 122 LEU HA H 1 4.166 0.005 . 1 . . . . . . . . 6081 1
1288 . 1 1 122 122 LEU CB C 13 42.621 0.000 . 1 . . . . . . . . 6081 1
1289 . 1 1 122 122 LEU HB2 H 1 1.868 0.004 . 1 . . . . . . . . 6081 1
1290 . 1 1 122 122 LEU CG C 13 25.681 0.000 . 1 . . . . . . . . 6081 1
1291 . 1 1 122 122 LEU HG H 1 1.505 0.008 . 1 . . . . . . . . 6081 1
1292 . 1 1 122 122 LEU HD11 H 1 0.874 0.006 . 1 . . . . . . . . 6081 1
1293 . 1 1 122 122 LEU HD12 H 1 0.874 0.006 . 1 . . . . . . . . 6081 1
1294 . 1 1 122 122 LEU HD13 H 1 0.874 0.006 . 1 . . . . . . . . 6081 1
1295 . 1 1 122 122 LEU HD21 H 1 0.828 0.008 . 1 . . . . . . . . 6081 1
1296 . 1 1 122 122 LEU HD22 H 1 0.828 0.008 . 1 . . . . . . . . 6081 1
1297 . 1 1 122 122 LEU HD23 H 1 0.828 0.008 . 1 . . . . . . . . 6081 1
1298 . 1 1 122 122 LEU CD1 C 13 23.518 0.000 . 1 . . . . . . . . 6081 1
1299 . 1 1 122 122 LEU C C 13 177.999 0.000 . 1 . . . . . . . . 6081 1
1300 . 1 1 123 123 ASP N N 15 117.379 0.000 . 1 . . . . . . . . 6081 1
1301 . 1 1 123 123 ASP H H 1 7.718 0.000 . 1 . . . . . . . . 6081 1
1302 . 1 1 123 123 ASP CA C 13 53.527 0.000 . 1 . . . . . . . . 6081 1
1303 . 1 1 123 123 ASP HA H 1 4.688 0.015 . 1 . . . . . . . . 6081 1
1304 . 1 1 123 123 ASP CB C 13 40.644 0.000 . 1 . . . . . . . . 6081 1
1305 . 1 1 123 123 ASP HB2 H 1 2.897 0.014 . 1 . . . . . . . . 6081 1
1306 . 1 1 123 123 ASP HB3 H 1 2.406 0.004 . 1 . . . . . . . . 6081 1
1307 . 1 1 123 123 ASP C C 13 175.286 0.000 . 1 . . . . . . . . 6081 1
1308 . 1 1 124 124 GLU N N 15 124.374 0.000 . 1 . . . . . . . . 6081 1
1309 . 1 1 124 124 GLU H H 1 8.903 0.000 . 1 . . . . . . . . 6081 1
1310 . 1 1 124 124 GLU CA C 13 57.700 0.000 . 1 . . . . . . . . 6081 1
1311 . 1 1 124 124 GLU HA H 1 4.490 0.003 . 1 . . . . . . . . 6081 1
1312 . 1 1 124 124 GLU CB C 13 29.207 0.000 . 1 . . . . . . . . 6081 1
1313 . 1 1 124 124 GLU HB2 H 1 2.156 0.007 . 1 . . . . . . . . 6081 1
1314 . 1 1 124 124 GLU CG C 13 36.097 0.000 . 1 . . . . . . . . 6081 1
1315 . 1 1 124 124 GLU HG2 H 1 2.428 0.005 . 1 . . . . . . . . 6081 1
1316 . 1 1 124 124 GLU C C 13 177.023 0.000 . 1 . . . . . . . . 6081 1
1317 . 1 1 125 125 THR N N 15 110.980 0.000 . 1 . . . . . . . . 6081 1
1318 . 1 1 125 125 THR H H 1 8.588 0.000 . 1 . . . . . . . . 6081 1
1319 . 1 1 125 125 THR CA C 13 62.526 0.000 . 1 . . . . . . . . 6081 1
1320 . 1 1 125 125 THR HA H 1 4.418 0.010 . 1 . . . . . . . . 6081 1
1321 . 1 1 125 125 THR CB C 13 69.588 0.000 . 1 . . . . . . . . 6081 1
1322 . 1 1 125 125 THR HB H 1 4.333 0.018 . 1 . . . . . . . . 6081 1
1323 . 1 1 125 125 THR HG21 H 1 1.249 0.019 . 1 . . . . . . . . 6081 1
1324 . 1 1 125 125 THR HG22 H 1 1.249 0.019 . 1 . . . . . . . . 6081 1
1325 . 1 1 125 125 THR HG23 H 1 1.249 0.019 . 1 . . . . . . . . 6081 1
1326 . 1 1 125 125 THR C C 13 175.610 0.000 . 1 . . . . . . . . 6081 1
1327 . 1 1 126 126 LEU N N 15 122.376 0.000 . 1 . . . . . . . . 6081 1
1328 . 1 1 126 126 LEU H H 1 6.961 0.000 . 1 . . . . . . . . 6081 1
1329 . 1 1 126 126 LEU CA C 13 55.106 0.000 . 1 . . . . . . . . 6081 1
1330 . 1 1 126 126 LEU HA H 1 4.457 0.002 . 1 . . . . . . . . 6081 1
1331 . 1 1 126 126 LEU CB C 13 42.550 0.000 . 1 . . . . . . . . 6081 1
1332 . 1 1 126 126 LEU HB2 H 1 1.312 0.003 . 1 . . . . . . . . 6081 1
1333 . 1 1 126 126 LEU HB3 H 1 1.843 0.007 . 1 . . . . . . . . 6081 1
1334 . 1 1 126 126 LEU CG C 13 27.347 0.000 . 1 . . . . . . . . 6081 1
1335 . 1 1 126 126 LEU HG H 1 1.659 0.007 . 1 . . . . . . . . 6081 1
1336 . 1 1 126 126 LEU HD11 H 1 0.807 0.006 . 1 . . . . . . . . 6081 1
1337 . 1 1 126 126 LEU HD12 H 1 0.807 0.006 . 1 . . . . . . . . 6081 1
1338 . 1 1 126 126 LEU HD13 H 1 0.807 0.006 . 1 . . . . . . . . 6081 1
1339 . 1 1 126 126 LEU HD21 H 1 0.939 0.002 . 1 . . . . . . . . 6081 1
1340 . 1 1 126 126 LEU HD22 H 1 0.939 0.002 . 1 . . . . . . . . 6081 1
1341 . 1 1 126 126 LEU HD23 H 1 0.939 0.002 . 1 . . . . . . . . 6081 1
1342 . 1 1 126 126 LEU CD1 C 13 22.972 0.000 . 1 . . . . . . . . 6081 1
1343 . 1 1 126 126 LEU C C 13 177.390 0.000 . 1 . . . . . . . . 6081 1
1344 . 1 1 127 127 SER N N 15 121.620 0.000 . 1 . . . . . . . . 6081 1
1345 . 1 1 127 127 SER H H 1 9.483 0.000 . 1 . . . . . . . . 6081 1
1346 . 1 1 127 127 SER CA C 13 56.704 0.000 . 1 . . . . . . . . 6081 1
1347 . 1 1 127 127 SER HA H 1 4.600 0.003 . 1 . . . . . . . . 6081 1
1348 . 1 1 127 127 SER CB C 13 66.059 0.000 . 1 . . . . . . . . 6081 1
1349 . 1 1 127 127 SER HB2 H 1 4.410 0.004 . 1 . . . . . . . . 6081 1
1350 . 1 1 127 127 SER C C 13 174.840 0.000 . 1 . . . . . . . . 6081 1
1351 . 1 1 128 128 SER N N 15 115.826 0.000 . 1 . . . . . . . . 6081 1
1352 . 1 1 128 128 SER H H 1 8.959 0.000 . 1 . . . . . . . . 6081 1
1353 . 1 1 128 128 SER CA C 13 62.242 0.000 . 1 . . . . . . . . 6081 1
1354 . 1 1 128 128 SER HA H 1 4.071 0.019 . 1 . . . . . . . . 6081 1
1355 . 1 1 128 128 SER CB C 13 61.329 0.000 . 1 . . . . . . . . 6081 1
1356 . 1 1 128 128 SER C C 13 178.477 0.000 . 1 . . . . . . . . 6081 1
1357 . 1 1 129 129 GLU N N 15 119.675 0.000 . 1 . . . . . . . . 6081 1
1358 . 1 1 129 129 GLU H H 1 8.413 0.000 . 1 . . . . . . . . 6081 1
1359 . 1 1 129 129 GLU CA C 13 59.748 0.000 . 1 . . . . . . . . 6081 1
1360 . 1 1 129 129 GLU HA H 1 4.127 0.001 . 1 . . . . . . . . 6081 1
1361 . 1 1 129 129 GLU CB C 13 28.954 0.000 . 1 . . . . . . . . 6081 1
1362 . 1 1 129 129 GLU HB2 H 1 1.992 0.005 . 1 . . . . . . . . 6081 1
1363 . 1 1 129 129 GLU CG C 13 37.738 0.000 . 1 . . . . . . . . 6081 1
1364 . 1 1 129 129 GLU HG2 H 1 2.386 0.015 . 1 . . . . . . . . 6081 1
1365 . 1 1 129 129 GLU C C 13 179.721 0.000 . 1 . . . . . . . . 6081 1
1366 . 1 1 130 130 ASP N N 15 122.469 0.000 . 1 . . . . . . . . 6081 1
1367 . 1 1 130 130 ASP H H 1 7.950 0.000 . 1 . . . . . . . . 6081 1
1368 . 1 1 130 130 ASP CA C 13 57.185 0.000 . 1 . . . . . . . . 6081 1
1369 . 1 1 130 130 ASP HA H 1 4.397 0.003 . 1 . . . . . . . . 6081 1
1370 . 1 1 130 130 ASP CB C 13 41.183 0.000 . 1 . . . . . . . . 6081 1
1371 . 1 1 130 130 ASP HB2 H 1 3.019 0.002 . 1 . . . . . . . . 6081 1
1372 . 1 1 130 130 ASP C C 13 180.252 0.000 . 1 . . . . . . . . 6081 1
1373 . 1 1 131 131 LEU N N 15 121.055 0.000 . 1 . . . . . . . . 6081 1
1374 . 1 1 131 131 LEU H H 1 8.372 0.000 . 1 . . . . . . . . 6081 1
1375 . 1 1 131 131 LEU CA C 13 58.206 0.000 . 1 . . . . . . . . 6081 1
1376 . 1 1 131 131 LEU HA H 1 3.959 0.008 . 1 . . . . . . . . 6081 1
1377 . 1 1 131 131 LEU CB C 13 41.873 0.000 . 1 . . . . . . . . 6081 1
1378 . 1 1 131 131 LEU HB2 H 1 1.234 0.003 . 1 . . . . . . . . 6081 1
1379 . 1 1 131 131 LEU HB3 H 1 2.104 0.004 . 1 . . . . . . . . 6081 1
1380 . 1 1 131 131 LEU CG C 13 25.803 0.000 . 1 . . . . . . . . 6081 1
1381 . 1 1 131 131 LEU HG H 1 1.672 0.002 . 1 . . . . . . . . 6081 1
1382 . 1 1 131 131 LEU HD11 H 1 0.903 0.006 . 1 . . . . . . . . 6081 1
1383 . 1 1 131 131 LEU HD12 H 1 0.903 0.006 . 1 . . . . . . . . 6081 1
1384 . 1 1 131 131 LEU HD13 H 1 0.903 0.006 . 1 . . . . . . . . 6081 1
1385 . 1 1 131 131 LEU HD21 H 1 0.855 0.006 . 1 . . . . . . . . 6081 1
1386 . 1 1 131 131 LEU HD22 H 1 0.855 0.006 . 1 . . . . . . . . 6081 1
1387 . 1 1 131 131 LEU HD23 H 1 0.855 0.006 . 1 . . . . . . . . 6081 1
1388 . 1 1 131 131 LEU C C 13 178.496 0.000 . 1 . . . . . . . . 6081 1
1389 . 1 1 132 132 ASP N N 15 119.183 0.000 . 1 . . . . . . . . 6081 1
1390 . 1 1 132 132 ASP H H 1 8.224 0.000 . 1 . . . . . . . . 6081 1
1391 . 1 1 132 132 ASP CA C 13 57.980 0.000 . 1 . . . . . . . . 6081 1
1392 . 1 1 132 132 ASP HA H 1 4.195 0.006 . 1 . . . . . . . . 6081 1
1393 . 1 1 132 132 ASP CB C 13 40.271 0.000 . 1 . . . . . . . . 6081 1
1394 . 1 1 132 132 ASP HB2 H 1 2.716 0.005 . 1 . . . . . . . . 6081 1
1395 . 1 1 132 132 ASP HB3 H 1 2.853 0.004 . 1 . . . . . . . . 6081 1
1396 . 1 1 132 132 ASP C C 13 178.852 0.000 . 1 . . . . . . . . 6081 1
1397 . 1 1 133 133 ALA N N 15 121.619 0.000 . 1 . . . . . . . . 6081 1
1398 . 1 1 133 133 ALA H H 1 7.589 0.000 . 1 . . . . . . . . 6081 1
1399 . 1 1 133 133 ALA CA C 13 54.853 0.000 . 1 . . . . . . . . 6081 1
1400 . 1 1 133 133 ALA HA H 1 4.204 0.005 . 1 . . . . . . . . 6081 1
1401 . 1 1 133 133 ALA HB1 H 1 1.539 0.003 . 1 . . . . . . . . 6081 1
1402 . 1 1 133 133 ALA HB2 H 1 1.539 0.003 . 1 . . . . . . . . 6081 1
1403 . 1 1 133 133 ALA HB3 H 1 1.539 0.003 . 1 . . . . . . . . 6081 1
1404 . 1 1 133 133 ALA CB C 13 18.053 0.000 . 1 . . . . . . . . 6081 1
1405 . 1 1 133 133 ALA C C 13 180.707 0.000 . 1 . . . . . . . . 6081 1
1406 . 1 1 134 134 MET N N 15 118.689 0.000 . 1 . . . . . . . . 6081 1
1407 . 1 1 134 134 MET H H 1 8.190 0.000 . 1 . . . . . . . . 6081 1
1408 . 1 1 134 134 MET CA C 13 59.179 0.000 . 1 . . . . . . . . 6081 1
1409 . 1 1 134 134 MET HA H 1 4.153 0.004 . 1 . . . . . . . . 6081 1
1410 . 1 1 134 134 MET CB C 13 33.161 0.000 . 1 . . . . . . . . 6081 1
1411 . 1 1 134 134 MET HB2 H 1 2.028 0.013 . 1 . . . . . . . . 6081 1
1412 . 1 1 134 134 MET HB3 H 1 2.162 0.004 . 1 . . . . . . . . 6081 1
1413 . 1 1 134 134 MET CG C 13 32.816 0.000 . 1 . . . . . . . . 6081 1
1414 . 1 1 134 134 MET HG2 H 1 2.488 0.006 . 1 . . . . . . . . 6081 1
1415 . 1 1 134 134 MET HG3 H 1 2.826 0.003 . 1 . . . . . . . . 6081 1
1416 . 1 1 134 134 MET C C 13 178.870 0.000 . 1 . . . . . . . . 6081 1
1417 . 1 1 135 135 ILE N N 15 119.462 0.000 . 1 . . . . . . . . 6081 1
1418 . 1 1 135 135 ILE H H 1 8.446 0.000 . 1 . . . . . . . . 6081 1
1419 . 1 1 135 135 ILE CA C 13 62.621 0.000 . 1 . . . . . . . . 6081 1
1420 . 1 1 135 135 ILE HA H 1 3.653 0.006 . 1 . . . . . . . . 6081 1
1421 . 1 1 135 135 ILE CB C 13 34.996 0.000 . 1 . . . . . . . . 6081 1
1422 . 1 1 135 135 ILE HB H 1 2.238 0.017 . 1 . . . . . . . . 6081 1
1423 . 1 1 135 135 ILE HG21 H 1 0.913 0.001 . 1 . . . . . . . . 6081 1
1424 . 1 1 135 135 ILE HG22 H 1 0.913 0.001 . 1 . . . . . . . . 6081 1
1425 . 1 1 135 135 ILE HG23 H 1 0.913 0.001 . 1 . . . . . . . . 6081 1
1426 . 1 1 135 135 ILE CG2 C 13 18.050 0.000 . 1 . . . . . . . . 6081 1
1427 . 1 1 135 135 ILE CG1 C 13 27.894 0.000 . 1 . . . . . . . . 6081 1
1428 . 1 1 135 135 ILE HG12 H 1 1.414 0.007 . 1 . . . . . . . . 6081 1
1429 . 1 1 135 135 ILE HG13 H 1 1.723 0.008 . 1 . . . . . . . . 6081 1
1430 . 1 1 135 135 ILE HD11 H 1 0.647 0.001 . 1 . . . . . . . . 6081 1
1431 . 1 1 135 135 ILE HD12 H 1 0.647 0.001 . 1 . . . . . . . . 6081 1
1432 . 1 1 135 135 ILE HD13 H 1 0.647 0.001 . 1 . . . . . . . . 6081 1
1433 . 1 1 135 135 ILE CD1 C 13 9.846 0.000 . 1 . . . . . . . . 6081 1
1434 . 1 1 135 135 ILE C C 13 176.891 0.000 . 1 . . . . . . . . 6081 1
1435 . 1 1 136 136 ASP N N 15 118.221 0.000 . 1 . . . . . . . . 6081 1
1436 . 1 1 136 136 ASP H H 1 7.468 0.000 . 1 . . . . . . . . 6081 1
1437 . 1 1 136 136 ASP CA C 13 57.000 0.000 . 1 . . . . . . . . 6081 1
1438 . 1 1 136 136 ASP HA H 1 4.392 0.000 . 1 . . . . . . . . 6081 1
1439 . 1 1 136 136 ASP CB C 13 40.785 0.000 . 1 . . . . . . . . 6081 1
1440 . 1 1 136 136 ASP HB2 H 1 2.720 0.003 . 1 . . . . . . . . 6081 1
1441 . 1 1 136 136 ASP C C 13 177.746 0.000 . 1 . . . . . . . . 6081 1
1442 . 1 1 137 137 GLU N N 15 116.653 0.000 . 1 . . . . . . . . 6081 1
1443 . 1 1 137 137 GLU H H 1 7.273 0.000 . 1 . . . . . . . . 6081 1
1444 . 1 1 137 137 GLU CA C 13 58.169 0.000 . 1 . . . . . . . . 6081 1
1445 . 1 1 137 137 GLU HA H 1 4.023 0.012 . 1 . . . . . . . . 6081 1
1446 . 1 1 137 137 GLU CB C 13 30.055 0.000 . 1 . . . . . . . . 6081 1
1447 . 1 1 137 137 GLU HB2 H 1 2.125 0.001 . 1 . . . . . . . . 6081 1
1448 . 1 1 137 137 GLU CG C 13 35.550 0.000 . 1 . . . . . . . . 6081 1
1449 . 1 1 137 137 GLU HG2 H 1 2.356 0.000 . 1 . . . . . . . . 6081 1
1450 . 1 1 137 137 GLU C C 13 178.264 0.000 . 1 . . . . . . . . 6081 1
1451 . 1 1 138 138 ILE N N 15 119.368 0.000 . 1 . . . . . . . . 6081 1
1452 . 1 1 138 138 ILE H H 1 8.318 0.000 . 1 . . . . . . . . 6081 1
1453 . 1 1 138 138 ILE CA C 13 64.135 0.000 . 1 . . . . . . . . 6081 1
1454 . 1 1 138 138 ILE HA H 1 3.732 0.007 . 1 . . . . . . . . 6081 1
1455 . 1 1 138 138 ILE CB C 13 39.797 0.000 . 1 . . . . . . . . 6081 1
1456 . 1 1 138 138 ILE HB H 1 1.679 0.008 . 1 . . . . . . . . 6081 1
1457 . 1 1 138 138 ILE HG21 H 1 0.878 0.028 . 1 . . . . . . . . 6081 1
1458 . 1 1 138 138 ILE HG22 H 1 0.878 0.028 . 1 . . . . . . . . 6081 1
1459 . 1 1 138 138 ILE HG23 H 1 0.878 0.028 . 1 . . . . . . . . 6081 1
1460 . 1 1 138 138 ILE CG2 C 13 18.596 0.000 . 1 . . . . . . . . 6081 1
1461 . 1 1 138 138 ILE CG1 C 13 28.987 0.000 . 1 . . . . . . . . 6081 1
1462 . 1 1 138 138 ILE HG12 H 1 0.951 0.002 . 1 . . . . . . . . 6081 1
1463 . 1 1 138 138 ILE HG13 H 1 1.921 0.006 . 1 . . . . . . . . 6081 1
1464 . 1 1 138 138 ILE HD11 H 1 0.813 0.002 . 1 . . . . . . . . 6081 1
1465 . 1 1 138 138 ILE HD12 H 1 0.813 0.002 . 1 . . . . . . . . 6081 1
1466 . 1 1 138 138 ILE HD13 H 1 0.813 0.002 . 1 . . . . . . . . 6081 1
1467 . 1 1 138 138 ILE CD1 C 13 16.409 0.000 . 1 . . . . . . . . 6081 1
1468 . 1 1 138 138 ILE C C 13 178.157 0.000 . 1 . . . . . . . . 6081 1
1469 . 1 1 139 139 ASP N N 15 117.534 0.000 . 1 . . . . . . . . 6081 1
1470 . 1 1 139 139 ASP H H 1 8.304 0.000 . 1 . . . . . . . . 6081 1
1471 . 1 1 139 139 ASP CA C 13 52.094 0.000 . 1 . . . . . . . . 6081 1
1472 . 1 1 139 139 ASP HA H 1 4.887 0.002 . 1 . . . . . . . . 6081 1
1473 . 1 1 139 139 ASP CB C 13 38.314 0.000 . 1 . . . . . . . . 6081 1
1474 . 1 1 139 139 ASP HB2 H 1 1.983 0.000 . 1 . . . . . . . . 6081 1
1475 . 1 1 139 139 ASP HB3 H 1 2.924 0.000 . 1 . . . . . . . . 6081 1
1476 . 1 1 139 139 ASP C C 13 177.568 0.000 . 1 . . . . . . . . 6081 1
1477 . 1 1 140 140 ALA N N 15 128.579 0.000 . 1 . . . . . . . . 6081 1
1478 . 1 1 140 140 ALA H H 1 8.026 0.000 . 1 . . . . . . . . 6081 1
1479 . 1 1 140 140 ALA CA C 13 54.743 0.000 . 1 . . . . . . . . 6081 1
1480 . 1 1 140 140 ALA HA H 1 4.118 0.003 . 1 . . . . . . . . 6081 1
1481 . 1 1 140 140 ALA HB1 H 1 1.562 0.005 . 1 . . . . . . . . 6081 1
1482 . 1 1 140 140 ALA HB2 H 1 1.562 0.005 . 1 . . . . . . . . 6081 1
1483 . 1 1 140 140 ALA HB3 H 1 1.562 0.005 . 1 . . . . . . . . 6081 1
1484 . 1 1 140 140 ALA CB C 13 19.183 0.000 . 1 . . . . . . . . 6081 1
1485 . 1 1 140 140 ALA C C 13 178.479 0.000 . 1 . . . . . . . . 6081 1
1486 . 1 1 141 141 ASP N N 15 113.167 0.000 . 1 . . . . . . . . 6081 1
1487 . 1 1 141 141 ASP H H 1 7.974 0.000 . 1 . . . . . . . . 6081 1
1488 . 1 1 141 141 ASP CA C 13 51.991 0.000 . 1 . . . . . . . . 6081 1
1489 . 1 1 141 141 ASP HA H 1 4.683 0.004 . 1 . . . . . . . . 6081 1
1490 . 1 1 141 141 ASP CB C 13 39.726 0.000 . 1 . . . . . . . . 6081 1
1491 . 1 1 141 141 ASP HB2 H 1 2.734 0.010 . 1 . . . . . . . . 6081 1
1492 . 1 1 141 141 ASP HB3 H 1 3.086 0.009 . 1 . . . . . . . . 6081 1
1493 . 1 1 141 141 ASP C C 13 177.604 0.000 . 1 . . . . . . . . 6081 1
1494 . 1 1 142 142 GLY N N 15 109.687 0.000 . 1 . . . . . . . . 6081 1
1495 . 1 1 142 142 GLY H H 1 8.014 0.000 . 1 . . . . . . . . 6081 1
1496 . 1 1 142 142 GLY CA C 13 47.105 0.000 . 1 . . . . . . . . 6081 1
1497 . 1 1 142 142 GLY HA2 H 1 3.830 0.000 . 1 . . . . . . . . 6081 1
1498 . 1 1 142 142 GLY C C 13 175.339 0.000 . 1 . . . . . . . . 6081 1
1499 . 1 1 143 143 SER N N 15 115.671 0.000 . 1 . . . . . . . . 6081 1
1500 . 1 1 143 143 SER H H 1 8.406 0.000 . 1 . . . . . . . . 6081 1
1501 . 1 1 143 143 SER CA C 13 60.032 0.000 . 1 . . . . . . . . 6081 1
1502 . 1 1 143 143 SER HA H 1 4.152 0.007 . 1 . . . . . . . . 6081 1
1503 . 1 1 143 143 SER CB C 13 64.929 0.000 . 1 . . . . . . . . 6081 1
1504 . 1 1 143 143 SER HB2 H 1 3.843 0.005 . 1 . . . . . . . . 6081 1
1505 . 1 1 143 143 SER C C 13 176.231 0.000 . 1 . . . . . . . . 6081 1
1506 . 1 1 144 144 GLY N N 15 116.726 0.000 . 1 . . . . . . . . 6081 1
1507 . 1 1 144 144 GLY H H 1 10.853 0.000 . 1 . . . . . . . . 6081 1
1508 . 1 1 144 144 GLY CA C 13 45.695 0.000 . 1 . . . . . . . . 6081 1
1509 . 1 1 144 144 GLY HA2 H 1 4.140 0.000 . 1 . . . . . . . . 6081 1
1510 . 1 1 144 144 GLY HA3 H 1 3.520 0.000 . 1 . . . . . . . . 6081 1
1511 . 1 1 144 144 GLY C C 13 173.003 0.000 . 1 . . . . . . . . 6081 1
1512 . 1 1 145 145 THR N N 15 108.638 0.000 . 1 . . . . . . . . 6081 1
1513 . 1 1 145 145 THR H H 1 7.698 0.000 . 1 . . . . . . . . 6081 1
1514 . 1 1 145 145 THR CA C 13 58.484 0.000 . 1 . . . . . . . . 6081 1
1515 . 1 1 145 145 THR HA H 1 4.651 0.001 . 1 . . . . . . . . 6081 1
1516 . 1 1 145 145 THR CB C 13 73.259 0.000 . 1 . . . . . . . . 6081 1
1517 . 1 1 145 145 THR HB H 1 3.780 0.004 . 1 . . . . . . . . 6081 1
1518 . 1 1 145 145 THR HG21 H 1 0.673 0.005 . 1 . . . . . . . . 6081 1
1519 . 1 1 145 145 THR HG22 H 1 0.673 0.005 . 1 . . . . . . . . 6081 1
1520 . 1 1 145 145 THR HG23 H 1 0.673 0.005 . 1 . . . . . . . . 6081 1
1521 . 1 1 145 145 THR C C 13 172.325 0.000 . 1 . . . . . . . . 6081 1
1522 . 1 1 146 146 VAL N N 15 128.758 0.000 . 1 . . . . . . . . 6081 1
1523 . 1 1 146 146 VAL H H 1 9.889 0.000 . 1 . . . . . . . . 6081 1
1524 . 1 1 146 146 VAL CA C 13 61.382 0.000 . 1 . . . . . . . . 6081 1
1525 . 1 1 146 146 VAL HA H 1 5.119 0.004 . 1 . . . . . . . . 6081 1
1526 . 1 1 146 146 VAL CB C 13 32.384 0.000 . 1 . . . . . . . . 6081 1
1527 . 1 1 146 146 VAL HB H 1 2.181 0.004 . 1 . . . . . . . . 6081 1
1528 . 1 1 146 146 VAL HG11 H 1 1.262 0.005 . 1 . . . . . . . . 6081 1
1529 . 1 1 146 146 VAL HG12 H 1 1.262 0.005 . 1 . . . . . . . . 6081 1
1530 . 1 1 146 146 VAL HG13 H 1 1.262 0.005 . 1 . . . . . . . . 6081 1
1531 . 1 1 146 146 VAL HG21 H 1 0.706 0.003 . 1 . . . . . . . . 6081 1
1532 . 1 1 146 146 VAL HG22 H 1 0.706 0.003 . 1 . . . . . . . . 6081 1
1533 . 1 1 146 146 VAL HG23 H 1 0.706 0.003 . 1 . . . . . . . . 6081 1
1534 . 1 1 146 146 VAL CG1 C 13 21.313 0.000 . 1 . . . . . . . . 6081 1
1535 . 1 1 146 146 VAL CG2 C 13 21.313 0.000 . 1 . . . . . . . . 6081 1
1536 . 1 1 146 146 VAL C C 13 175.036 0.000 . 1 . . . . . . . . 6081 1
1537 . 1 1 147 147 ASP N N 15 127.663 0.000 . 1 . . . . . . . . 6081 1
1538 . 1 1 147 147 ASP H H 1 8.832 0.000 . 1 . . . . . . . . 6081 1
1539 . 1 1 147 147 ASP CA C 13 52.748 0.000 . 1 . . . . . . . . 6081 1
1540 . 1 1 147 147 ASP HA H 1 5.289 0.005 . 1 . . . . . . . . 6081 1
1541 . 1 1 147 147 ASP CB C 13 41.844 0.000 . 1 . . . . . . . . 6081 1
1542 . 1 1 147 147 ASP HB2 H 1 3.352 0.006 . 1 . . . . . . . . 6081 1
1543 . 1 1 147 147 ASP HB3 H 1 2.765 0.014 . 1 . . . . . . . . 6081 1
1544 . 1 1 147 147 ASP C C 13 179.173 0.000 . 1 . . . . . . . . 6081 1
1545 . 1 1 148 148 PHE N N 15 117.584 0.000 . 1 . . . . . . . . 6081 1
1546 . 1 1 148 148 PHE H H 1 8.481 0.000 . 1 . . . . . . . . 6081 1
1547 . 1 1 148 148 PHE CA C 13 62.378 0.000 . 1 . . . . . . . . 6081 1
1548 . 1 1 148 148 PHE HA H 1 3.295 0.002 . 1 . . . . . . . . 6081 1
1549 . 1 1 148 148 PHE CB C 13 39.358 0.000 . 1 . . . . . . . . 6081 1
1550 . 1 1 148 148 PHE HB2 H 1 2.658 0.004 . 1 . . . . . . . . 6081 1
1551 . 1 1 148 148 PHE HB3 H 1 2.495 0.000 . 1 . . . . . . . . 6081 1
1552 . 1 1 148 148 PHE CD1 C 13 131.553 0.000 . 1 . . . . . . . . 6081 1
1553 . 1 1 148 148 PHE CE1 C 13 130.770 0.000 . 1 . . . . . . . . 6081 1
1554 . 1 1 148 148 PHE CZ C 13 129.727 0.000 . 1 . . . . . . . . 6081 1
1555 . 1 1 148 148 PHE HZ H 1 7.252 0.003 . 1 . . . . . . . . 6081 1
1556 . 1 1 148 148 PHE HD1 H 1 6.583 0.001 . 1 . . . . . . . . 6081 1
1557 . 1 1 148 148 PHE HE1 H 1 7.178 0.001 . 1 . . . . . . . . 6081 1
1558 . 1 1 148 148 PHE C C 13 179.815 0.000 . 1 . . . . . . . . 6081 1
1559 . 1 1 149 149 GLU N N 15 118.768 0.000 . 1 . . . . . . . . 6081 1
1560 . 1 1 149 149 GLU H H 1 8.143 0.000 . 1 . . . . . . . . 6081 1
1561 . 1 1 149 149 GLU CA C 13 60.640 0.000 . 1 . . . . . . . . 6081 1
1562 . 1 1 149 149 GLU HA H 1 3.704 0.001 . 1 . . . . . . . . 6081 1
1563 . 1 1 149 149 GLU CB C 13 28.931 0.000 . 1 . . . . . . . . 6081 1
1564 . 1 1 149 149 GLU HB2 H 1 2.170 0.003 . 1 . . . . . . . . 6081 1
1565 . 1 1 149 149 GLU HB3 H 1 2.039 0.004 . 1 . . . . . . . . 6081 1
1566 . 1 1 149 149 GLU CG C 13 37.738 0.000 . 1 . . . . . . . . 6081 1
1567 . 1 1 149 149 GLU HG2 H 1 2.316 0.008 . 1 . . . . . . . . 6081 1
1568 . 1 1 149 149 GLU C C 13 180.600 0.000 . 1 . . . . . . . . 6081 1
1569 . 1 1 150 150 GLU N N 15 122.672 0.000 . 1 . . . . . . . . 6081 1
1570 . 1 1 150 150 GLU H H 1 8.727 0.000 . 1 . . . . . . . . 6081 1
1571 . 1 1 150 150 GLU CA C 13 59.018 0.092 . 1 . . . . . . . . 6081 1
1572 . 1 1 150 150 GLU HA H 1 4.021 0.009 . 1 . . . . . . . . 6081 1
1573 . 1 1 150 150 GLU CB C 13 29.638 0.289 . 1 . . . . . . . . 6081 1
1574 . 1 1 150 150 GLU HB2 H 1 2.113 0.007 . 1 . . . . . . . . 6081 1
1575 . 1 1 150 150 GLU HB3 H 1 2.465 0.005 . 1 . . . . . . . . 6081 1
1576 . 1 1 150 150 GLU CG C 13 37.191 0.000 . 1 . . . . . . . . 6081 1
1577 . 1 1 150 150 GLU HG2 H 1 2.972 0.012 . 1 . . . . . . . . 6081 1
1578 . 1 1 150 150 GLU C C 13 179.405 0.000 . 1 . . . . . . . . 6081 1
1579 . 1 1 151 151 PHE N N 15 121.211 0.000 . 1 . . . . . . . . 6081 1
1580 . 1 1 151 151 PHE H H 1 8.622 0.000 . 1 . . . . . . . . 6081 1
1581 . 1 1 151 151 PHE CA C 13 61.169 0.000 . 1 . . . . . . . . 6081 1
1582 . 1 1 151 151 PHE HA H 1 3.936 0.001 . 1 . . . . . . . . 6081 1
1583 . 1 1 151 151 PHE CB C 13 40.220 0.000 . 1 . . . . . . . . 6081 1
1584 . 1 1 151 151 PHE HB2 H 1 3.079 0.002 . 1 . . . . . . . . 6081 1
1585 . 1 1 151 151 PHE CD1 C 13 131.292 0.000 . 1 . . . . . . . . 6081 1
1586 . 1 1 151 151 PHE CE1 C 13 131.031 0.000 . 1 . . . . . . . . 6081 1
1587 . 1 1 151 151 PHE HD1 H 1 6.988 0.002 . 1 . . . . . . . . 6081 1
1588 . 1 1 151 151 PHE HE1 H 1 7.295 0.003 . 1 . . . . . . . . 6081 1
1589 . 1 1 151 151 PHE C C 13 176.659 0.000 . 1 . . . . . . . . 6081 1
1590 . 1 1 152 152 MET N N 15 118.505 0.000 . 1 . . . . . . . . 6081 1
1591 . 1 1 152 152 MET H H 1 8.786 0.000 . 1 . . . . . . . . 6081 1
1592 . 1 1 152 152 MET CA C 13 58.011 0.000 . 1 . . . . . . . . 6081 1
1593 . 1 1 152 152 MET HA H 1 3.757 0.004 . 1 . . . . . . . . 6081 1
1594 . 1 1 152 152 MET CB C 13 31.396 0.000 . 1 . . . . . . . . 6081 1
1595 . 1 1 152 152 MET HB2 H 1 1.896 0.003 . 1 . . . . . . . . 6081 1
1596 . 1 1 152 152 MET HG2 H 1 3.028 0.002 . 1 . . . . . . . . 6081 1
1597 . 1 1 152 152 MET C C 13 178.906 0.000 . 1 . . . . . . . . 6081 1
1598 . 1 1 153 153 GLY N N 15 106.185 0.000 . 1 . . . . . . . . 6081 1
1599 . 1 1 153 153 GLY H H 1 7.805 0.000 . 1 . . . . . . . . 6081 1
1600 . 1 1 153 153 GLY CA C 13 46.958 0.000 . 1 . . . . . . . . 6081 1
1601 . 1 1 153 153 GLY HA2 H 1 3.910 0.000 . 1 . . . . . . . . 6081 1
1602 . 1 1 153 153 GLY HA3 H 1 3.700 0.000 . 1 . . . . . . . . 6081 1
1603 . 1 1 153 153 GLY C C 13 175.256 0.000 . 1 . . . . . . . . 6081 1
1604 . 1 1 154 154 VAL N N 15 117.634 0.000 . 1 . . . . . . . . 6081 1
1605 . 1 1 154 154 VAL H H 1 7.101 0.000 . 1 . . . . . . . . 6081 1
1606 . 1 1 154 154 VAL CA C 13 63.095 0.000 . 1 . . . . . . . . 6081 1
1607 . 1 1 154 154 VAL HA H 1 4.155 0.004 . 1 . . . . . . . . 6081 1
1608 . 1 1 154 154 VAL CB C 13 32.243 0.000 . 1 . . . . . . . . 6081 1
1609 . 1 1 154 154 VAL HB H 1 1.991 0.004 . 1 . . . . . . . . 6081 1
1610 . 1 1 154 154 VAL HG11 H 1 0.874 0.005 . 1 . . . . . . . . 6081 1
1611 . 1 1 154 154 VAL HG12 H 1 0.874 0.005 . 1 . . . . . . . . 6081 1
1612 . 1 1 154 154 VAL HG13 H 1 0.874 0.005 . 1 . . . . . . . . 6081 1
1613 . 1 1 154 154 VAL HG21 H 1 0.954 0.008 . 1 . . . . . . . . 6081 1
1614 . 1 1 154 154 VAL HG22 H 1 0.954 0.008 . 1 . . . . . . . . 6081 1
1615 . 1 1 154 154 VAL HG23 H 1 0.954 0.008 . 1 . . . . . . . . 6081 1
1616 . 1 1 154 154 VAL CG1 C 13 20.245 0.000 . 1 . . . . . . . . 6081 1
1617 . 1 1 154 154 VAL CG2 C 13 22.916 0.000 . 1 . . . . . . . . 6081 1
1618 . 1 1 154 154 VAL C C 13 177.113 0.000 . 1 . . . . . . . . 6081 1
1619 . 1 1 155 155 MET N N 15 118.445 0.000 . 1 . . . . . . . . 6081 1
1620 . 1 1 155 155 MET H H 1 7.590 0.000 . 1 . . . . . . . . 6081 1
1621 . 1 1 155 155 MET CA C 13 55.510 0.000 . 1 . . . . . . . . 6081 1
1622 . 1 1 155 155 MET HA H 1 4.382 0.003 . 1 . . . . . . . . 6081 1
1623 . 1 1 155 155 MET CB C 13 31.608 0.000 . 1 . . . . . . . . 6081 1
1624 . 1 1 155 155 MET HB2 H 1 1.879 0.003 . 1 . . . . . . . . 6081 1
1625 . 1 1 155 155 MET HB3 H 1 1.506 0.012 . 1 . . . . . . . . 6081 1
1626 . 1 1 155 155 MET C C 13 177.461 0.000 . 1 . . . . . . . . 6081 1
1627 . 1 1 156 156 THR N N 15 109.640 0.000 . 1 . . . . . . . . 6081 1
1628 . 1 1 156 156 THR H H 1 7.677 0.000 . 1 . . . . . . . . 6081 1
1629 . 1 1 156 156 THR CA C 13 61.926 0.000 . 1 . . . . . . . . 6081 1
1630 . 1 1 156 156 THR HA H 1 4.431 0.000 . 1 . . . . . . . . 6081 1
1631 . 1 1 156 156 THR CB C 13 70.506 0.000 . 1 . . . . . . . . 6081 1
1632 . 1 1 156 156 THR HB H 1 4.331 0.000 . 1 . . . . . . . . 6081 1
1633 . 1 1 156 156 THR HG21 H 1 1.181 0.000 . 1 . . . . . . . . 6081 1
1634 . 1 1 156 156 THR HG22 H 1 1.181 0.000 . 1 . . . . . . . . 6081 1
1635 . 1 1 156 156 THR HG23 H 1 1.181 0.000 . 1 . . . . . . . . 6081 1
1636 . 1 1 156 156 THR CG2 C 13 21.633 0.000 . 1 . . . . . . . . 6081 1
1637 . 1 1 156 156 THR C C 13 177.033 0.000 . 1 . . . . . . . . 6081 1
1638 . 1 1 157 157 GLY N N 15 110.593 0.000 . 1 . . . . . . . . 6081 1
1639 . 1 1 157 157 GLY H H 1 7.859 0.000 . 1 . . . . . . . . 6081 1
1640 . 1 1 157 157 GLY CA C 13 45.764 0.000 . 1 . . . . . . . . 6081 1
1641 . 1 1 157 157 GLY HA2 H 1 4.010 0.000 . 1 . . . . . . . . 6081 1
1642 . 1 1 157 157 GLY C C 13 174.679 0.000 . 1 . . . . . . . . 6081 1
1643 . 1 1 158 158 GLY N N 15 109.076 0.000 . 1 . . . . . . . . 6081 1
1644 . 1 1 158 158 GLY H H 1 8.296 0.000 . 1 . . . . . . . . 6081 1
1645 . 1 1 158 158 GLY CA C 13 45.835 0.000 . 1 . . . . . . . . 6081 1
1646 . 1 1 158 158 GLY HA2 H 1 4.050 0.000 . 1 . . . . . . . . 6081 1
1647 . 1 1 158 158 GLY HA3 H 1 3.930 0.000 . 1 . . . . . . . . 6081 1
1648 . 1 1 158 158 GLY C C 13 173.915 0.000 . 1 . . . . . . . . 6081 1
1649 . 1 1 159 159 ASP N N 15 120.823 0.000 . 1 . . . . . . . . 6081 1
1650 . 1 1 159 159 ASP H H 1 8.318 0.000 . 1 . . . . . . . . 6081 1
1651 . 1 1 159 159 ASP CA C 13 54.316 0.000 . 1 . . . . . . . . 6081 1
1652 . 1 1 159 159 ASP HA H 1 4.670 0.006 . 1 . . . . . . . . 6081 1
1653 . 1 1 159 159 ASP CB C 13 41.209 0.000 . 1 . . . . . . . . 6081 1
1654 . 1 1 159 159 ASP HB2 H 1 2.715 0.002 . 1 . . . . . . . . 6081 1
1655 . 1 1 159 159 ASP HB3 H 1 2.586 0.005 . 1 . . . . . . . . 6081 1
1656 . 1 1 159 159 ASP C C 13 175.410 0.000 . 1 . . . . . . . . 6081 1
1657 . 1 1 160 160 GLU N N 15 125.780 0.000 . 1 . . . . . . . . 6081 1
1658 . 1 1 160 160 GLU H H 1 7.966 0.000 . 1 . . . . . . . . 6081 1
1659 . 1 1 160 160 GLU CA C 13 58.195 0.000 . 1 . . . . . . . . 6081 1
1660 . 1 1 160 160 GLU HA H 1 4.117 0.002 . 1 . . . . . . . . 6081 1
1661 . 1 1 160 160 GLU CB C 13 30.619 0.000 . 1 . . . . . . . . 6081 1
1662 . 1 1 160 160 GLU HB2 H 1 2.039 0.002 . 1 . . . . . . . . 6081 1
1663 . 1 1 160 160 GLU HB3 H 1 1.898 0.005 . 1 . . . . . . . . 6081 1
1664 . 1 1 160 160 GLU HG2 H 1 2.213 0.003 . 1 . . . . . . . . 6081 1
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