data_7414
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 7414
_Entry.Title
;
Evidence of reciprocical reorientation of the catalytic and hemopexin-like domains of full-length MMP-12
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2007-12-03
_Entry.Accession_date 2007-12-03
_Entry.Last_release_date 2008-06-27
_Entry.Original_release_date 2008-06-27
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.8.100
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details
;
In this entry are deposited :
_ Assignment of FL_MMP12.
_ Assignment of hemopexin-like domain.
_ RDCs obtained on FL_MMP12.
_ R1, R2 and NOE data for catalytic, hemopexin-like domain and full-length protein.
;
_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 Ivano Bertini I. . . 7414
2 Vito Calderone V. . . 7414
3 Marco Fragai M. . . 7414
4 Rahul Jaiswal R. . . 7414
5 Claudio Luchinat C. . . 7414
6 Maxime Melikian M. . . 7414
7 Efstratios Mylonas . . . 7414
8 Dmitri Svergun . I. . 7414
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 SPINE2 'Centro di Risonanze Magnetiche Nucleare' . 7414
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'b-sheet hydrophobic core' . 7414
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 7414
heteronucl_NOEs 1 7414
heteronucl_T1_relaxation 1 7414
heteronucl_T2_relaxation 1 7414
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 760 7414
'15N chemical shifts' 200 7414
'1H chemical shifts' 1213 7414
'heteronuclear NOE values' 125 7414
'T1 relaxation values' 160 7414
'T2 relaxation values' 152 7414
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 . . 2008-06-27 2007-12-03 original author . 7414
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2JXY 'BMRB Entry Tracking System' 7414
stop_
save_
###############
# Citations #
###############
save_citations
_Citation.Sf_category citations
_Citation.Sf_framecode citations
_Citation.Entry_ID 7414
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 18465858
_Citation.Full_citation .
_Citation.Title 'Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Am. Chem. Soc.'
_Citation.Journal_name_full .
_Citation.Journal_volume 130
_Citation.Journal_issue 21
_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 7011
_Citation.Page_last 7021
_Citation.Year 2008
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 I. Bertini I. . . 7414 1
2 V. Calderone V. . . 7414 1
3 M. Fragai M. . . 7414 1
4 R. Jaiswal R. . . 7414 1
5 C. Luchinat C. . . 7414 1
6 M. Melikian M. . . 7414 1
7 E. Mylonas E. . . 7414 1
8 D. Svergun D. I. . 7414 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
assignment 7414 1
'matrix metalloproteinase' 7414 1
mobility 7414 1
NMR 7414 1
RDC 7414 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 7414
_Assembly.ID 1
_Assembly.Name MMP12_HUMAN
_Assembly.BMRB_code .
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number 3.4.24.65
_Assembly.Details 'Active MMP-12 protein composed by a catalytic and a hemopexin-like domain connected by a linker peptide.'
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'Hemopexin-like Domain' 1 $HPX_DOMAIN A . no native yes no . Unknown . 7414 1
2 'Cadmium ion' 2 $CD B . no native no no . 'Inhibitor ion' 'Increases stability by preventing autocleavage of linker peptide' 7414 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_HPX_DOMAIN
_Entity.Sf_category entity
_Entity.Sf_framecode HPX_DOMAIN
_Entity.Entry_ID 7414
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name HPX_DOMAIN
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MEPALCDPNLSFDAVTTVGN
KIFFFKDRFFWLKVSERPKT
SVNLISSLWPTLPSGIEAAY
EIEARNQVFLFKDDKYWLIS
NLRPEPNYPKSIHSFGFPNF
VKKIDAAVFNPRFYRTYFFV
DNQYWRYDERRQMMDPGYPK
LITKNFQGIGPKIDAVFYSK
NKYYYFFQGSNQFEYDFLLQ
RITKTLKSNSWFGC
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq
;
277 MET
470 CYS
;
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 194
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all disulfide bound'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment 'Hemopexin-like domain'
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-01-28
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no BMRB 15578 . FL_MMP12 . . . . . 99.48 366 100.00 100.00 2.10e-137 . . . . 7414 1
2 no PDB 2JXY . "Solution Structure Of The Hemopexin-Like Domain Of Mmp12" . . . . . 100.00 194 100.00 100.00 2.67e-139 . . . . 7414 1
3 no PDB 3BA0 . "Crystal Structure Of Full-Length Human Mmp-12" . . . . . 99.48 365 100.00 100.00 2.97e-137 . . . . 7414 1
4 no DBJ BAG36675 . "unnamed protein product [Homo sapiens]" . . . . . 99.48 470 100.00 100.00 5.63e-137 . . . . 7414 1
5 no DBJ BAJ20684 . "matrix metallopeptidase 12 [synthetic construct]" . . . . . 99.48 470 100.00 100.00 5.63e-137 . . . . 7414 1
6 no GB AAA58658 . "metalloproteinase [Homo sapiens]" . . . . . 99.48 470 100.00 100.00 4.68e-137 . . . . 7414 1
7 no GB AAB36943 . "metalloelastase, partial [Homo sapiens]" . . . . . 98.97 240 100.00 100.00 5.68e-137 . . . . 7414 1
8 no GB AAI12302 . "Matrix metalloproteinase 12, preproprotein [Homo sapiens]" . . . . . 99.48 470 100.00 100.00 5.63e-137 . . . . 7414 1
9 no GB AAI43774 . "Matrix metallopeptidase 12 (macrophage elastase) [Homo sapiens]" . . . . . 99.48 470 99.48 100.00 2.94e-136 . . . . 7414 1
10 no GB AAW29944 . "matrix metalloproteinase 12 (macrophage elastase) [Homo sapiens]" . . . . . 99.48 470 100.00 100.00 5.63e-137 . . . . 7414 1
11 no REF NP_002417 . "macrophage metalloelastase preproprotein [Homo sapiens]" . . . . . 99.48 470 100.00 100.00 5.63e-137 . . . . 7414 1
12 no REF XP_003828422 . "PREDICTED: macrophage metalloelastase [Pan paniscus]" . . . . . 99.48 470 98.96 98.96 1.16e-135 . . . . 7414 1
13 no REF XP_004052087 . "PREDICTED: macrophage metalloelastase [Gorilla gorilla gorilla]" . . . . . 99.48 470 99.48 100.00 1.58e-136 . . . . 7414 1
14 no REF XP_508724 . "PREDICTED: macrophage metalloelastase [Pan troglodytes]" . . . . . 99.48 470 98.96 98.96 1.16e-135 . . . . 7414 1
15 no SP P39900 . "RecName: Full=Macrophage metalloelastase; Short=MME; AltName: Full=Macrophage elastase; Short=ME; Short=hME; AltName: Full=Matr" . . . . . 99.48 470 100.00 100.00 5.63e-137 . . . . 7414 1
stop_
loop_
_Entity_biological_function.Biological_function
_Entity_biological_function.Entry_ID
_Entity_biological_function.Entity_ID
unknown 7414 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 . MET . 7414 1
2 . GLU . 7414 1
3 . PRO . 7414 1
4 . ALA . 7414 1
5 . LEU . 7414 1
6 . CYS . 7414 1
7 . ASP . 7414 1
8 . PRO . 7414 1
9 . ASN . 7414 1
10 . LEU . 7414 1
11 . SER . 7414 1
12 . PHE . 7414 1
13 . ASP . 7414 1
14 . ALA . 7414 1
15 . VAL . 7414 1
16 . THR . 7414 1
17 . THR . 7414 1
18 . VAL . 7414 1
19 . GLY . 7414 1
20 . ASN . 7414 1
21 . LYS . 7414 1
22 . ILE . 7414 1
23 . PHE . 7414 1
24 . PHE . 7414 1
25 . PHE . 7414 1
26 . LYS . 7414 1
27 . ASP . 7414 1
28 . ARG . 7414 1
29 . PHE . 7414 1
30 . PHE . 7414 1
31 . TRP . 7414 1
32 . LEU . 7414 1
33 . LYS . 7414 1
34 . VAL . 7414 1
35 . SER . 7414 1
36 . GLU . 7414 1
37 . ARG . 7414 1
38 . PRO . 7414 1
39 . LYS . 7414 1
40 . THR . 7414 1
41 . SER . 7414 1
42 . VAL . 7414 1
43 . ASN . 7414 1
44 . LEU . 7414 1
45 . ILE . 7414 1
46 . SER . 7414 1
47 . SER . 7414 1
48 . LEU . 7414 1
49 . TRP . 7414 1
50 . PRO . 7414 1
51 . THR . 7414 1
52 . LEU . 7414 1
53 . PRO . 7414 1
54 . SER . 7414 1
55 . GLY . 7414 1
56 . ILE . 7414 1
57 . GLU . 7414 1
58 . ALA . 7414 1
59 . ALA . 7414 1
60 . TYR . 7414 1
61 . GLU . 7414 1
62 . ILE . 7414 1
63 . GLU . 7414 1
64 . ALA . 7414 1
65 . ARG . 7414 1
66 . ASN . 7414 1
67 . GLN . 7414 1
68 . VAL . 7414 1
69 . PHE . 7414 1
70 . LEU . 7414 1
71 . PHE . 7414 1
72 . LYS . 7414 1
73 . ASP . 7414 1
74 . ASP . 7414 1
75 . LYS . 7414 1
76 . TYR . 7414 1
77 . TRP . 7414 1
78 . LEU . 7414 1
79 . ILE . 7414 1
80 . SER . 7414 1
81 . ASN . 7414 1
82 . LEU . 7414 1
83 . ARG . 7414 1
84 . PRO . 7414 1
85 . GLU . 7414 1
86 . PRO . 7414 1
87 . ASN . 7414 1
88 . TYR . 7414 1
89 . PRO . 7414 1
90 . LYS . 7414 1
91 . SER . 7414 1
92 . ILE . 7414 1
93 . HIS . 7414 1
94 . SER . 7414 1
95 . PHE . 7414 1
96 . GLY . 7414 1
97 . PHE . 7414 1
98 . PRO . 7414 1
99 . ASN . 7414 1
100 . PHE . 7414 1
101 . VAL . 7414 1
102 . LYS . 7414 1
103 . LYS . 7414 1
104 . ILE . 7414 1
105 . ASP . 7414 1
106 . ALA . 7414 1
107 . ALA . 7414 1
108 . VAL . 7414 1
109 . PHE . 7414 1
110 . ASN . 7414 1
111 . PRO . 7414 1
112 . ARG . 7414 1
113 . PHE . 7414 1
114 . TYR . 7414 1
115 . ARG . 7414 1
116 . THR . 7414 1
117 . TYR . 7414 1
118 . PHE . 7414 1
119 . PHE . 7414 1
120 . VAL . 7414 1
121 . ASP . 7414 1
122 . ASN . 7414 1
123 . GLN . 7414 1
124 . TYR . 7414 1
125 . TRP . 7414 1
126 . ARG . 7414 1
127 . TYR . 7414 1
128 . ASP . 7414 1
129 . GLU . 7414 1
130 . ARG . 7414 1
131 . ARG . 7414 1
132 . GLN . 7414 1
133 . MET . 7414 1
134 . MET . 7414 1
135 . ASP . 7414 1
136 . PRO . 7414 1
137 . GLY . 7414 1
138 . TYR . 7414 1
139 . PRO . 7414 1
140 . LYS . 7414 1
141 . LEU . 7414 1
142 . ILE . 7414 1
143 . THR . 7414 1
144 . LYS . 7414 1
145 . ASN . 7414 1
146 . PHE . 7414 1
147 . GLN . 7414 1
148 . GLY . 7414 1
149 . ILE . 7414 1
150 . GLY . 7414 1
151 . PRO . 7414 1
152 . LYS . 7414 1
153 . ILE . 7414 1
154 . ASP . 7414 1
155 . ALA . 7414 1
156 . VAL . 7414 1
157 . PHE . 7414 1
158 . TYR . 7414 1
159 . SER . 7414 1
160 . LYS . 7414 1
161 . ASN . 7414 1
162 . LYS . 7414 1
163 . TYR . 7414 1
164 . TYR . 7414 1
165 . TYR . 7414 1
166 . PHE . 7414 1
167 . PHE . 7414 1
168 . GLN . 7414 1
169 . GLY . 7414 1
170 . SER . 7414 1
171 . ASN . 7414 1
172 . GLN . 7414 1
173 . PHE . 7414 1
174 . GLU . 7414 1
175 . TYR . 7414 1
176 . ASP . 7414 1
177 . PHE . 7414 1
178 . LEU . 7414 1
179 . LEU . 7414 1
180 . GLN . 7414 1
181 . ARG . 7414 1
182 . ILE . 7414 1
183 . THR . 7414 1
184 . LYS . 7414 1
185 . THR . 7414 1
186 . LEU . 7414 1
187 . LYS . 7414 1
188 . SER . 7414 1
189 . ASN . 7414 1
190 . SER . 7414 1
191 . TRP . 7414 1
192 . PHE . 7414 1
193 . GLY . 7414 1
194 . CYS . 7414 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 7414 1
. GLU 2 2 7414 1
. PRO 3 3 7414 1
. ALA 4 4 7414 1
. LEU 5 5 7414 1
. CYS 6 6 7414 1
. ASP 7 7 7414 1
. PRO 8 8 7414 1
. ASN 9 9 7414 1
. LEU 10 10 7414 1
. SER 11 11 7414 1
. PHE 12 12 7414 1
. ASP 13 13 7414 1
. ALA 14 14 7414 1
. VAL 15 15 7414 1
. THR 16 16 7414 1
. THR 17 17 7414 1
. VAL 18 18 7414 1
. GLY 19 19 7414 1
. ASN 20 20 7414 1
. LYS 21 21 7414 1
. ILE 22 22 7414 1
. PHE 23 23 7414 1
. PHE 24 24 7414 1
. PHE 25 25 7414 1
. LYS 26 26 7414 1
. ASP 27 27 7414 1
. ARG 28 28 7414 1
. PHE 29 29 7414 1
. PHE 30 30 7414 1
. TRP 31 31 7414 1
. LEU 32 32 7414 1
. LYS 33 33 7414 1
. VAL 34 34 7414 1
. SER 35 35 7414 1
. GLU 36 36 7414 1
. ARG 37 37 7414 1
. PRO 38 38 7414 1
. LYS 39 39 7414 1
. THR 40 40 7414 1
. SER 41 41 7414 1
. VAL 42 42 7414 1
. ASN 43 43 7414 1
. LEU 44 44 7414 1
. ILE 45 45 7414 1
. SER 46 46 7414 1
. SER 47 47 7414 1
. LEU 48 48 7414 1
. TRP 49 49 7414 1
. PRO 50 50 7414 1
. THR 51 51 7414 1
. LEU 52 52 7414 1
. PRO 53 53 7414 1
. SER 54 54 7414 1
. GLY 55 55 7414 1
. ILE 56 56 7414 1
. GLU 57 57 7414 1
. ALA 58 58 7414 1
. ALA 59 59 7414 1
. TYR 60 60 7414 1
. GLU 61 61 7414 1
. ILE 62 62 7414 1
. GLU 63 63 7414 1
. ALA 64 64 7414 1
. ARG 65 65 7414 1
. ASN 66 66 7414 1
. GLN 67 67 7414 1
. VAL 68 68 7414 1
. PHE 69 69 7414 1
. LEU 70 70 7414 1
. PHE 71 71 7414 1
. LYS 72 72 7414 1
. ASP 73 73 7414 1
. ASP 74 74 7414 1
. LYS 75 75 7414 1
. TYR 76 76 7414 1
. TRP 77 77 7414 1
. LEU 78 78 7414 1
. ILE 79 79 7414 1
. SER 80 80 7414 1
. ASN 81 81 7414 1
. LEU 82 82 7414 1
. ARG 83 83 7414 1
. PRO 84 84 7414 1
. GLU 85 85 7414 1
. PRO 86 86 7414 1
. ASN 87 87 7414 1
. TYR 88 88 7414 1
. PRO 89 89 7414 1
. LYS 90 90 7414 1
. SER 91 91 7414 1
. ILE 92 92 7414 1
. HIS 93 93 7414 1
. SER 94 94 7414 1
. PHE 95 95 7414 1
. GLY 96 96 7414 1
. PHE 97 97 7414 1
. PRO 98 98 7414 1
. ASN 99 99 7414 1
. PHE 100 100 7414 1
. VAL 101 101 7414 1
. LYS 102 102 7414 1
. LYS 103 103 7414 1
. ILE 104 104 7414 1
. ASP 105 105 7414 1
. ALA 106 106 7414 1
. ALA 107 107 7414 1
. VAL 108 108 7414 1
. PHE 109 109 7414 1
. ASN 110 110 7414 1
. PRO 111 111 7414 1
. ARG 112 112 7414 1
. PHE 113 113 7414 1
. TYR 114 114 7414 1
. ARG 115 115 7414 1
. THR 116 116 7414 1
. TYR 117 117 7414 1
. PHE 118 118 7414 1
. PHE 119 119 7414 1
. VAL 120 120 7414 1
. ASP 121 121 7414 1
. ASN 122 122 7414 1
. GLN 123 123 7414 1
. TYR 124 124 7414 1
. TRP 125 125 7414 1
. ARG 126 126 7414 1
. TYR 127 127 7414 1
. ASP 128 128 7414 1
. GLU 129 129 7414 1
. ARG 130 130 7414 1
. ARG 131 131 7414 1
. GLN 132 132 7414 1
. MET 133 133 7414 1
. MET 134 134 7414 1
. ASP 135 135 7414 1
. PRO 136 136 7414 1
. GLY 137 137 7414 1
. TYR 138 138 7414 1
. PRO 139 139 7414 1
. LYS 140 140 7414 1
. LEU 141 141 7414 1
. ILE 142 142 7414 1
. THR 143 143 7414 1
. LYS 144 144 7414 1
. ASN 145 145 7414 1
. PHE 146 146 7414 1
. GLN 147 147 7414 1
. GLY 148 148 7414 1
. ILE 149 149 7414 1
. GLY 150 150 7414 1
. PRO 151 151 7414 1
. LYS 152 152 7414 1
. ILE 153 153 7414 1
. ASP 154 154 7414 1
. ALA 155 155 7414 1
. VAL 156 156 7414 1
. PHE 157 157 7414 1
. TYR 158 158 7414 1
. SER 159 159 7414 1
. LYS 160 160 7414 1
. ASN 161 161 7414 1
. LYS 162 162 7414 1
. TYR 163 163 7414 1
. TYR 164 164 7414 1
. TYR 165 165 7414 1
. PHE 166 166 7414 1
. PHE 167 167 7414 1
. GLN 168 168 7414 1
. GLY 169 169 7414 1
. SER 170 170 7414 1
. ASN 171 171 7414 1
. GLN 172 172 7414 1
. PHE 173 173 7414 1
. GLU 174 174 7414 1
. TYR 175 175 7414 1
. ASP 176 176 7414 1
. PHE 177 177 7414 1
. LEU 178 178 7414 1
. LEU 179 179 7414 1
. GLN 180 180 7414 1
. ARG 181 181 7414 1
. ILE 182 182 7414 1
. THR 183 183 7414 1
. LYS 184 184 7414 1
. THR 185 185 7414 1
. LEU 186 186 7414 1
. LYS 187 187 7414 1
. SER 188 188 7414 1
. ASN 189 189 7414 1
. SER 190 190 7414 1
. TRP 191 191 7414 1
. PHE 192 192 7414 1
. GLY 193 193 7414 1
. CYS 194 194 7414 1
stop_
save_
save_CD
_Entity.Sf_category entity
_Entity.Sf_framecode CD
_Entity.Entry_ID 7414
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name CD
_Entity.Type non-polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type .
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code .
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer .
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID CD
_Entity.Nonpolymer_comp_label $chem_comp_CD
_Entity.Number_of_monomers .
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state .
_Entity.Src_method .
_Entity.Parent_entity_ID 2
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . CD . 7414 2
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 7414
_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 $HPX_DOMAIN . 9606 organism . 'Homo Sapiens' Human . . Eukaryota Metazoa Homo Sapiens . . . . . . . . . . . . . . . . . . . . . 7414 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 7414
_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 $HPX_DOMAIN . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET21a . . . . . . 7414 1
stop_
save_
#################################
# Polymer residues and ligands #
#################################
save_chem_comp_CD
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_CD
_Chem_comp.Entry_ID 7414
_Chem_comp.ID CD
_Chem_comp.Provenance .
_Chem_comp.Name 'CADMIUM ION'
_Chem_comp.Type non-polymer
_Chem_comp.BMRB_code .
_Chem_comp.PDB_code CD
_Chem_comp.Ambiguous_flag .
_Chem_comp.Initial_date .
_Chem_comp.Modified_date .
_Chem_comp.Release_status .
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code .
_Chem_comp.Number_atoms_all .
_Chem_comp.Number_atoms_nh .
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code .
_Chem_comp.Mon_nstd_flag .
_Chem_comp.Mon_nstd_class .
_Chem_comp.Mon_nstd_details .
_Chem_comp.Mon_nstd_parent .
_Chem_comp.Mon_nstd_parent_comp_ID .
_Chem_comp.Std_deriv_one_letter_code .
_Chem_comp.Std_deriv_three_letter_code .
_Chem_comp.Std_deriv_BMRB_code .
_Chem_comp.Std_deriv_PDB_code .
_Chem_comp.Std_deriv_chem_comp_name .
_Chem_comp.Synonyms .
_Chem_comp.Formal_charge 2
_Chem_comp.Paramagnetic .
_Chem_comp.Aromatic no
_Chem_comp.Formula Cd
_Chem_comp.Formula_weight 112.411
_Chem_comp.Formula_mono_iso_wt_nat .
_Chem_comp.Formula_mono_iso_wt_13C .
_Chem_comp.Formula_mono_iso_wt_15N .
_Chem_comp.Formula_mono_iso_wt_13C_15N .
_Chem_comp.Image_file_name .
_Chem_comp.Image_file_format .
_Chem_comp.Topo_file_name .
_Chem_comp.Topo_file_format .
_Chem_comp.Struct_file_name .
_Chem_comp.Struct_file_format .
_Chem_comp.Stereochem_param_file_name .
_Chem_comp.Stereochem_param_file_format .
_Chem_comp.Model_details .
_Chem_comp.Model_erf .
_Chem_comp.Model_source .
_Chem_comp.Model_coordinates_details .
_Chem_comp.Model_coordinates_missing_flag .
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag .
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site .
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Mon Aug 20 19:34:58 2007
;
_Chem_comp.DB_query_date .
_Chem_comp.DB_last_query_revised_last_date .
loop_
_Chem_comp_descriptor.Descriptor
_Chem_comp_descriptor.Type
_Chem_comp_descriptor.Program
_Chem_comp_descriptor.Program_version
_Chem_comp_descriptor.Entry_ID
_Chem_comp_descriptor.Comp_ID
[Cd++] SMILES_CANONICAL CACTVS 2.87 7414 CD
[Cd+2] SMILES OpenEye/OEToolkits 1.4.2 7414 CD
[Cd+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 7414 CD
InChI=1/Cd/q+2 INCHI InChi 1 7414 CD
stop_
loop_
_Chem_comp_identifier.Identifier
_Chem_comp_identifier.Type
_Chem_comp_identifier.Program
_Chem_comp_identifier.Program_version
_Chem_comp_identifier.Entry_ID
_Chem_comp_identifier.Comp_ID
'cadmium(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 7414 CD
stop_
loop_
_Chem_comp_atom.Atom_ID
_Chem_comp_atom.BMRB_code
_Chem_comp_atom.PDB_atom_ID
_Chem_comp_atom.Alt_atom_ID
_Chem_comp_atom.Auth_atom_ID
_Chem_comp_atom.Type_symbol
_Chem_comp_atom.Isotope_number
_Chem_comp_atom.Chirality
_Chem_comp_atom.Stereo_config
_Chem_comp_atom.Charge
_Chem_comp_atom.Partial_charge
_Chem_comp_atom.Oxidation_number
_Chem_comp_atom.Unpaired_electron_number
_Chem_comp_atom.Align
_Chem_comp_atom.Aromatic_flag
_Chem_comp_atom.Leaving_atom_flag
_Chem_comp_atom.Substruct_code
_Chem_comp_atom.Ionizable
_Chem_comp_atom.Drawing_2D_coord_x
_Chem_comp_atom.Drawing_2D_coord_y
_Chem_comp_atom.Model_Cartn_x
_Chem_comp_atom.Model_Cartn_x_esd
_Chem_comp_atom.Model_Cartn_y
_Chem_comp_atom.Model_Cartn_y_esd
_Chem_comp_atom.Model_Cartn_z
_Chem_comp_atom.Model_Cartn_z_esd
_Chem_comp_atom.Model_Cartn_x_ideal
_Chem_comp_atom.Model_Cartn_y_ideal
_Chem_comp_atom.Model_Cartn_z_ideal
_Chem_comp_atom.PDBX_ordinal
_Chem_comp_atom.Details
_Chem_comp_atom.Entry_ID
_Chem_comp_atom.Comp_ID
CD . CD . . CD . N . 2 . . . . . . . . . . . . . . . . . . . . . 7414 CD
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 7414
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details 'pH 6.5, no buffer'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'Full_Length Protein' '[U-13C; U-15N]' . . 1 $HPX_DOMAIN . . . . . mM . . . . 7414 1
2 NaCl . . . . . . . 300 . . mM . . . . 7414 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 7414
_Sample_condition_list.ID 1
_Sample_condition_list.Details '300 mM of NaCl'
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 300 . mM 7414 1
pH 7.2 . pH 7414 1
pressure 1 . ATM 7414 1
temperature 298 . K 7414 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 7414
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details 'TCI probe'
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AVANCE
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 900
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 7414
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DRX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_spectrometer_3
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_3
_NMR_spectrometer.Entry_ID 7414
_NMR_spectrometer.ID 3
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 700
save_
save_500
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode 500
_NMR_spectrometer_list.Entry_ID 7414
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker AVANCE . 900 'TCI probe' . . 7414 1
2 spectrometer_2 Bruker DRX . 500 . . . 7414 1
3 spectrometer_3 Bruker Avance . 700 . . . 7414 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 7414
_Experiment_list.ID 1
_Experiment_list.Details 'Acquired and processed using topspin software.'
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7414 1
2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7414 1
3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7414 1
4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7414 1
5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7414 1
6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7414 1
7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7414 1
8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7414 1
9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 7414 1
10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7414 1
11 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7414 1
12 '2D 1H-15N HSQC T1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 7414 1
13 '2D 1H-15N HSQC T2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 7414 1
14 '2D 1H-15N HSQC NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 7414 1
15 '2D 1H-15N HSQC T1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 7414 1
16 '2D 1H-15N HSQC T2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 7414 1
17 '2D 1H-15N HSQC NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 7414 1
18 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7414 1
19 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7414 1
20 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7414 1
21 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 7414 1
22 '2D 1H-15N HSQC T1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 7414 1
23 '2D 1H-15N HSQC T2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 7414 1
24 '2D 1H-15N HSQC NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 7414 1
25 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7414 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 7414
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 7414 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 7414 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 7414 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_Assignment_HPX
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Assignment_HPX
_Assigned_chem_shift_list.Entry_ID 7414
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.3
_Assigned_chem_shift_list.Chem_shift_15N_err 0.3
_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 'Assignment of hemopexin-like domain of MMP12_HUMAN.'
_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 3D_15N-separated_NOESY . . . 7414 1
2 3D_13C-separated_NOESY . . . 7414 1
3 '2D 1H-15N HSQC' . . . 7414 1
4 '3D HNCO' . . . 7414 1
5 '3D HNCA' . . . 7414 1
6 '3D HN(CO)CA' . . . 7414 1
7 '3D CBCA(CO)NH' . . . 7414 1
8 '3D HNCACB' . . . 7414 1
9 '3D HCCH-TOCSY' . . . 7414 1
10 '3D HBHA(CO)NH' . . . 7414 1
11 '3D HNHA' . . . 7414 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 PRO HA H 1 4.146 0.020 . 1 . . . . 279 PRO HA . 7414 1
2 . 1 1 3 3 PRO HB2 H 1 2.010 0.020 . 2 . . . . 279 PRO HB2 . 7414 1
3 . 1 1 3 3 PRO HB3 H 1 1.646 0.020 . 2 . . . . 279 PRO HB3 . 7414 1
4 . 1 1 3 3 PRO HD2 H 1 3.244 0.020 . 2 . . . . 279 PRO HD2 . 7414 1
5 . 1 1 3 3 PRO HD3 H 1 2.960 0.020 . 2 . . . . 279 PRO HD3 . 7414 1
6 . 1 1 3 3 PRO HG2 H 1 1.921 0.020 . 2 . . . . 279 PRO HG2 . 7414 1
7 . 1 1 3 3 PRO HG3 H 1 1.501 0.020 . 2 . . . . 279 PRO HG3 . 7414 1
8 . 1 1 3 3 PRO C C 13 173.001 0.3 . 1 . . . . 279 PRO C . 7414 1
9 . 1 1 3 3 PRO CA C 13 59.806 0.3 . 1 . . . . 279 PRO CA . 7414 1
10 . 1 1 3 3 PRO CB C 13 28.706 0.3 . 1 . . . . 279 PRO CB . 7414 1
11 . 1 1 3 3 PRO CD C 13 46.954 0.3 . 1 . . . . 279 PRO CD . 7414 1
12 . 1 1 3 3 PRO CG C 13 23.746 0.3 . 1 . . . . 279 PRO CG . 7414 1
13 . 1 1 4 4 ALA H H 1 8.310 0.020 . 1 . . . . 280 ALA H . 7414 1
14 . 1 1 4 4 ALA HA H 1 4.180 0.020 . 1 . . . . 280 ALA HA . 7414 1
15 . 1 1 4 4 ALA HB1 H 1 1.208 0.020 . 1 . . . . 280 ALA HB . 7414 1
16 . 1 1 4 4 ALA HB2 H 1 1.208 0.020 . 1 . . . . 280 ALA HB . 7414 1
17 . 1 1 4 4 ALA HB3 H 1 1.208 0.020 . 1 . . . . 280 ALA HB . 7414 1
18 . 1 1 4 4 ALA C C 13 174.888 0.3 . 1 . . . . 280 ALA C . 7414 1
19 . 1 1 4 4 ALA CA C 13 48.865 0.3 . 1 . . . . 280 ALA CA . 7414 1
20 . 1 1 4 4 ALA CB C 13 15.786 0.3 . 1 . . . . 280 ALA CB . 7414 1
21 . 1 1 4 4 ALA N N 15 124.315 0.3 . 1 . . . . 280 ALA N . 7414 1
22 . 1 1 5 5 LEU H H 1 7.746 0.020 . 1 . . . . 281 LEU H . 7414 1
23 . 1 1 5 5 LEU HA H 1 3.748 0.020 . 1 . . . . 281 LEU HA . 7414 1
24 . 1 1 5 5 LEU HB2 H 1 1.285 0.020 . 1 . . . . 281 LEU HB2 . 7414 1
25 . 1 1 5 5 LEU HD11 H 1 0.272 0.020 . 1 . . . . 281 LEU HD1 . 7414 1
26 . 1 1 5 5 LEU HD12 H 1 0.272 0.020 . 1 . . . . 281 LEU HD1 . 7414 1
27 . 1 1 5 5 LEU HD13 H 1 0.272 0.020 . 1 . . . . 281 LEU HD1 . 7414 1
28 . 1 1 5 5 LEU HD21 H 1 0.217 0.020 . 1 . . . . 281 LEU HD2 . 7414 1
29 . 1 1 5 5 LEU HD22 H 1 0.217 0.020 . 1 . . . . 281 LEU HD2 . 7414 1
30 . 1 1 5 5 LEU HD23 H 1 0.217 0.020 . 1 . . . . 281 LEU HD2 . 7414 1
31 . 1 1 5 5 LEU HG H 1 1.263 0.020 . 1 . . . . 281 LEU HG . 7414 1
32 . 1 1 5 5 LEU C C 13 173.419 0.3 . 1 . . . . 281 LEU C . 7414 1
33 . 1 1 5 5 LEU CA C 13 54.118 0.3 . 1 . . . . 281 LEU CA . 7414 1
34 . 1 1 5 5 LEU CB C 13 39.403 0.3 . 1 . . . . 281 LEU CB . 7414 1
35 . 1 1 5 5 LEU CD1 C 13 21.307 0.3 . 1 . . . . 281 LEU CD1 . 7414 1
36 . 1 1 5 5 LEU CD2 C 13 20.498 0.3 . 1 . . . . 281 LEU CD2 . 7414 1
37 . 1 1 5 5 LEU CG C 13 23.099 0.3 . 1 . . . . 281 LEU CG . 7414 1
38 . 1 1 5 5 LEU N N 15 121.625 0.3 . 1 . . . . 281 LEU N . 7414 1
39 . 1 1 6 6 CYS H H 1 7.665 0.020 . 1 . . . . 282 CYS H . 7414 1
40 . 1 1 6 6 CYS HA H 1 5.060 0.020 . 1 . . . . 282 CYS HA . 7414 1
41 . 1 1 6 6 CYS HB2 H 1 3.189 0.020 . 2 . . . . 282 CYS HB2 . 7414 1
42 . 1 1 6 6 CYS HB3 H 1 2.472 0.020 . 2 . . . . 282 CYS HB3 . 7414 1
43 . 1 1 6 6 CYS C C 13 173.139 0.3 . 1 . . . . 282 CYS C . 7414 1
44 . 1 1 6 6 CYS CA C 13 48.859 0.3 . 1 . . . . 282 CYS CA . 7414 1
45 . 1 1 6 6 CYS CB C 13 33.843 0.3 . 1 . . . . 282 CYS CB . 7414 1
46 . 1 1 6 6 CYS N N 15 109.208 0.3 . 1 . . . . 282 CYS N . 7414 1
47 . 1 1 7 7 ASP H H 1 7.247 0.020 . 1 . . . . 283 ASP H . 7414 1
48 . 1 1 7 7 ASP HA H 1 4.510 0.020 . 1 . . . . 283 ASP HA . 7414 1
49 . 1 1 7 7 ASP HB2 H 1 2.584 0.020 . 2 . . . . 283 ASP HB2 . 7414 1
50 . 1 1 7 7 ASP HB3 H 1 2.639 0.020 . 2 . . . . 283 ASP HB3 . 7414 1
51 . 1 1 7 7 ASP CA C 13 49.079 0.3 . 1 . . . . 283 ASP CA . 7414 1
52 . 1 1 7 7 ASP CB C 13 39.059 0.3 . 1 . . . . 283 ASP CB . 7414 1
53 . 1 1 7 7 ASP N N 15 123.572 0.3 . 1 . . . . 283 ASP N . 7414 1
54 . 1 1 8 8 PRO HA H 1 4.202 0.020 . 1 . . . . 284 PRO HA . 7414 1
55 . 1 1 8 8 PRO HB2 H 1 1.813 0.020 . 2 . . . . 284 PRO HB2 . 7414 1
56 . 1 1 8 8 PRO HB3 H 1 2.146 0.020 . 2 . . . . 284 PRO HB3 . 7414 1
57 . 1 1 8 8 PRO HD2 H 1 3.719 0.020 . 1 . . . . 284 PRO HD2 . 7414 1
58 . 1 1 8 8 PRO HG2 H 1 1.927 0.020 . 2 . . . . 284 PRO HG2 . 7414 1
59 . 1 1 8 8 PRO HG3 H 1 1.778 0.020 . 2 . . . . 284 PRO HG3 . 7414 1
60 . 1 1 8 8 PRO C C 13 174.187 0.3 . 1 . . . . 284 PRO C . 7414 1
61 . 1 1 8 8 PRO CA C 13 61.063 0.3 . 1 . . . . 284 PRO CA . 7414 1
62 . 1 1 8 8 PRO CB C 13 28.854 0.3 . 1 . . . . 284 PRO CB . 7414 1
63 . 1 1 8 8 PRO CD C 13 47.771 0.3 . 1 . . . . 284 PRO CD . 7414 1
64 . 1 1 8 8 PRO CG C 13 23.654 0.3 . 1 . . . . 284 PRO CG . 7414 1
65 . 1 1 9 9 ASN H H 1 8.595 0.020 . 1 . . . . 285 ASN H . 7414 1
66 . 1 1 9 9 ASN HA H 1 4.764 0.020 . 1 . . . . 285 ASN HA . 7414 1
67 . 1 1 9 9 ASN HB2 H 1 2.803 0.020 . 2 . . . . 285 ASN HB2 . 7414 1
68 . 1 1 9 9 ASN HB3 H 1 2.471 0.020 . 2 . . . . 285 ASN HB3 . 7414 1
69 . 1 1 9 9 ASN HD21 H 1 6.776 0.020 . 1 . . . . 285 ASN HD21 . 7414 1
70 . 1 1 9 9 ASN HD22 H 1 6.322 0.020 . 1 . . . . 285 ASN HD22 . 7414 1
71 . 1 1 9 9 ASN C C 13 171.976 0.3 . 1 . . . . 285 ASN C . 7414 1
72 . 1 1 9 9 ASN CA C 13 49.131 0.3 . 1 . . . . 285 ASN CA . 7414 1
73 . 1 1 9 9 ASN CB C 13 35.885 0.3 . 1 . . . . 285 ASN CB . 7414 1
74 . 1 1 9 9 ASN N N 15 115.976 0.3 . 1 . . . . 285 ASN N . 7414 1
75 . 1 1 9 9 ASN ND2 N 15 108.582 0.3 . 1 . . . . 285 ASN ND2 . 7414 1
76 . 1 1 10 10 LEU H H 1 6.982 0.020 . 1 . . . . 286 LEU H . 7414 1
77 . 1 1 10 10 LEU HA H 1 3.739 0.020 . 1 . . . . 286 LEU HA . 7414 1
78 . 1 1 10 10 LEU HB2 H 1 1.318 0.020 . 2 . . . . 286 LEU HB2 . 7414 1
79 . 1 1 10 10 LEU HB3 H 1 1.099 0.020 . 2 . . . . 286 LEU HB3 . 7414 1
80 . 1 1 10 10 LEU HD11 H 1 0.598 0.020 . 1 . . . . 286 LEU HD1 . 7414 1
81 . 1 1 10 10 LEU HD12 H 1 0.598 0.020 . 1 . . . . 286 LEU HD1 . 7414 1
82 . 1 1 10 10 LEU HD13 H 1 0.598 0.020 . 1 . . . . 286 LEU HD1 . 7414 1
83 . 1 1 10 10 LEU HD21 H 1 0.598 0.020 . 1 . . . . 286 LEU HD2 . 7414 1
84 . 1 1 10 10 LEU HD22 H 1 0.598 0.020 . 1 . . . . 286 LEU HD2 . 7414 1
85 . 1 1 10 10 LEU HD23 H 1 0.598 0.020 . 1 . . . . 286 LEU HD2 . 7414 1
86 . 1 1 10 10 LEU HG H 1 0.707 0.020 . 1 . . . . 286 LEU HG . 7414 1
87 . 1 1 10 10 LEU C C 13 171.447 0.3 . 1 . . . . 286 LEU C . 7414 1
88 . 1 1 10 10 LEU CA C 13 53.494 0.3 . 1 . . . . 286 LEU CA . 7414 1
89 . 1 1 10 10 LEU CB C 13 39.492 0.3 . 1 . . . . 286 LEU CB . 7414 1
90 . 1 1 10 10 LEU CD1 C 13 20.391 0.3 . 1 . . . . 286 LEU CD1 . 7414 1
91 . 1 1 10 10 LEU CD2 C 13 20.391 0.3 . 1 . . . . 286 LEU CD2 . 7414 1
92 . 1 1 10 10 LEU CG C 13 23.071 0.3 . 1 . . . . 286 LEU CG . 7414 1
93 . 1 1 10 10 LEU N N 15 122.669 0.3 . 1 . . . . 286 LEU N . 7414 1
94 . 1 1 11 11 SER H H 1 7.295 0.020 . 1 . . . . 287 SER H . 7414 1
95 . 1 1 11 11 SER HA H 1 4.178 0.020 . 1 . . . . 287 SER HA . 7414 1
96 . 1 1 11 11 SER HB2 H 1 3.741 0.020 . 2 . . . . 287 SER HB2 . 7414 1
97 . 1 1 11 11 SER HB3 H 1 3.351 0.020 . 2 . . . . 287 SER HB3 . 7414 1
98 . 1 1 11 11 SER C C 13 169.634 0.3 . 1 . . . . 287 SER C . 7414 1
99 . 1 1 11 11 SER CA C 13 52.550 0.3 . 1 . . . . 287 SER CA . 7414 1
100 . 1 1 11 11 SER CB C 13 62.893 0.3 . 1 . . . . 287 SER CB . 7414 1
101 . 1 1 11 11 SER N N 15 117.794 0.3 . 1 . . . . 287 SER N . 7414 1
102 . 1 1 12 12 PHE H H 1 9.291 0.020 . 1 . . . . 288 PHE H . 7414 1
103 . 1 1 12 12 PHE HA H 1 4.954 0.020 . 1 . . . . 288 PHE HA . 7414 1
104 . 1 1 12 12 PHE HB2 H 1 3.344 0.020 . 2 . . . . 288 PHE HB2 . 7414 1
105 . 1 1 12 12 PHE HB3 H 1 2.039 0.020 . 2 . . . . 288 PHE HB3 . 7414 1
106 . 1 1 12 12 PHE HD1 H 1 6.765 0.020 . 1 . . . . 288 PHE HD1 . 7414 1
107 . 1 1 12 12 PHE HE1 H 1 6.775 0.020 . 1 . . . . 288 PHE HE1 . 7414 1
108 . 1 1 12 12 PHE C C 13 173.495 0.3 . 1 . . . . 288 PHE C . 7414 1
109 . 1 1 12 12 PHE CA C 13 54.406 0.3 . 1 . . . . 288 PHE CA . 7414 1
110 . 1 1 12 12 PHE CB C 13 39.447 0.3 . 1 . . . . 288 PHE CB . 7414 1
111 . 1 1 12 12 PHE N N 15 117.051 0.3 . 1 . . . . 288 PHE N . 7414 1
112 . 1 1 13 13 ASP H H 1 9.243 0.020 . 1 . . . . 289 ASP H . 7414 1
113 . 1 1 13 13 ASP HA H 1 4.952 0.020 . 1 . . . . 289 ASP HA . 7414 1
114 . 1 1 13 13 ASP HB2 H 1 3.894 0.020 . 2 . . . . 289 ASP HB2 . 7414 1
115 . 1 1 13 13 ASP HB3 H 1 2.544 0.020 . 2 . . . . 289 ASP HB3 . 7414 1
116 . 1 1 13 13 ASP C C 13 173.416 0.3 . 1 . . . . 289 ASP C . 7414 1
117 . 1 1 13 13 ASP CA C 13 52.829 0.3 . 1 . . . . 289 ASP CA . 7414 1
118 . 1 1 13 13 ASP CB C 13 39.090 0.3 . 1 . . . . 289 ASP CB . 7414 1
119 . 1 1 13 13 ASP N N 15 121.591 0.3 . 1 . . . . 289 ASP N . 7414 1
120 . 1 1 14 14 ALA H H 1 7.788 0.020 . 1 . . . . 290 ALA H . 7414 1
121 . 1 1 14 14 ALA HA H 1 5.007 0.020 . 1 . . . . 290 ALA HA . 7414 1
122 . 1 1 14 14 ALA HB1 H 1 1.180 0.020 . 1 . . . . 290 ALA HB . 7414 1
123 . 1 1 14 14 ALA HB2 H 1 1.180 0.020 . 1 . . . . 290 ALA HB . 7414 1
124 . 1 1 14 14 ALA HB3 H 1 1.180 0.020 . 1 . . . . 290 ALA HB . 7414 1
125 . 1 1 14 14 ALA C C 13 172.622 0.3 . 1 . . . . 290 ALA C . 7414 1
126 . 1 1 14 14 ALA CA C 13 49.403 0.3 . 1 . . . . 290 ALA CA . 7414 1
127 . 1 1 14 14 ALA CB C 13 18.401 0.3 . 1 . . . . 290 ALA CB . 7414 1
128 . 1 1 14 14 ALA N N 15 118.214 0.3 . 1 . . . . 290 ALA N . 7414 1
129 . 1 1 15 15 VAL H H 1 8.671 0.020 . 1 . . . . 291 VAL H . 7414 1
130 . 1 1 15 15 VAL HA H 1 4.842 0.020 . 1 . . . . 291 VAL HA . 7414 1
131 . 1 1 15 15 VAL HB H 1 1.373 0.020 . 1 . . . . 291 VAL HB . 7414 1
132 . 1 1 15 15 VAL HG11 H 1 -0.332 0.020 . 1 . . . . 291 VAL HG1 . 7414 1
133 . 1 1 15 15 VAL HG12 H 1 -0.332 0.020 . 1 . . . . 291 VAL HG1 . 7414 1
134 . 1 1 15 15 VAL HG13 H 1 -0.332 0.020 . 1 . . . . 291 VAL HG1 . 7414 1
135 . 1 1 15 15 VAL HG21 H 1 -0.031 0.020 . 1 . . . . 291 VAL HG2 . 7414 1
136 . 1 1 15 15 VAL HG22 H 1 -0.031 0.020 . 1 . . . . 291 VAL HG2 . 7414 1
137 . 1 1 15 15 VAL HG23 H 1 -0.031 0.020 . 1 . . . . 291 VAL HG2 . 7414 1
138 . 1 1 15 15 VAL C C 13 171.555 0.3 . 1 . . . . 291 VAL C . 7414 1
139 . 1 1 15 15 VAL CA C 13 58.214 0.3 . 1 . . . . 291 VAL CA . 7414 1
140 . 1 1 15 15 VAL CB C 13 34.096 0.3 . 1 . . . . 291 VAL CB . 7414 1
141 . 1 1 15 15 VAL CG1 C 13 19.395 0.3 . 1 . . . . 291 VAL CG1 . 7414 1
142 . 1 1 15 15 VAL CG2 C 13 19.395 0.3 . 1 . . . . 291 VAL CG2 . 7414 1
143 . 1 1 15 15 VAL N N 15 121.182 0.3 . 1 . . . . 291 VAL N . 7414 1
144 . 1 1 16 16 THR H H 1 8.562 0.020 . 1 . . . . 292 THR H . 7414 1
145 . 1 1 16 16 THR HA H 1 4.819 0.020 . 1 . . . . 292 THR HA . 7414 1
146 . 1 1 16 16 THR HB H 1 4.009 0.020 . 1 . . . . 292 THR HB . 7414 1
147 . 1 1 16 16 THR HG21 H 1 0.823 0.020 . 1 . . . . 292 THR HG2 . 7414 1
148 . 1 1 16 16 THR HG22 H 1 0.823 0.020 . 1 . . . . 292 THR HG2 . 7414 1
149 . 1 1 16 16 THR HG23 H 1 0.823 0.020 . 1 . . . . 292 THR HG2 . 7414 1
150 . 1 1 16 16 THR C C 13 169.997 0.3 . 1 . . . . 292 THR C . 7414 1
151 . 1 1 16 16 THR CA C 13 58.295 0.3 . 1 . . . . 292 THR CA . 7414 1
152 . 1 1 16 16 THR CB C 13 66.372 0.3 . 1 . . . . 292 THR CB . 7414 1
153 . 1 1 16 16 THR CG2 C 13 18.096 0.3 . 1 . . . . 292 THR CG2 . 7414 1
154 . 1 1 16 16 THR N N 15 115.697 0.3 . 1 . . . . 292 THR N . 7414 1
155 . 1 1 17 17 THR H H 1 6.621 0.020 . 1 . . . . 293 THR H . 7414 1
156 . 1 1 17 17 THR HA H 1 4.838 0.020 . 1 . . . . 293 THR HA . 7414 1
157 . 1 1 17 17 THR HB H 1 4.289 0.020 . 1 . . . . 293 THR HB . 7414 1
158 . 1 1 17 17 THR HG21 H 1 1.260 0.020 . 1 . . . . 293 THR HG2 . 7414 1
159 . 1 1 17 17 THR HG22 H 1 1.260 0.020 . 1 . . . . 293 THR HG2 . 7414 1
160 . 1 1 17 17 THR HG23 H 1 1.260 0.020 . 1 . . . . 293 THR HG2 . 7414 1
161 . 1 1 17 17 THR C C 13 172.740 0.3 . 1 . . . . 293 THR C . 7414 1
162 . 1 1 17 17 THR CA C 13 58.569 0.3 . 1 . . . . 293 THR CA . 7414 1
163 . 1 1 17 17 THR CB C 13 66.517 0.3 . 1 . . . . 293 THR CB . 7414 1
164 . 1 1 17 17 THR CG2 C 13 20.323 0.3 . 1 . . . . 293 THR CG2 . 7414 1
165 . 1 1 17 17 THR N N 15 116.013 0.3 . 1 . . . . 293 THR N . 7414 1
166 . 1 1 18 18 VAL H H 1 8.415 0.020 . 1 . . . . 294 VAL H . 7414 1
167 . 1 1 18 18 VAL HA H 1 4.071 0.020 . 1 . . . . 294 VAL HA . 7414 1
168 . 1 1 18 18 VAL HB H 1 1.699 0.020 . 1 . . . . 294 VAL HB . 7414 1
169 . 1 1 18 18 VAL HG11 H 1 0.273 0.020 . 1 . . . . 294 VAL HG1 . 7414 1
170 . 1 1 18 18 VAL HG12 H 1 0.273 0.020 . 1 . . . . 294 VAL HG1 . 7414 1
171 . 1 1 18 18 VAL HG13 H 1 0.273 0.020 . 1 . . . . 294 VAL HG1 . 7414 1
172 . 1 1 18 18 VAL HG21 H 1 0.548 0.020 . 1 . . . . 294 VAL HG2 . 7414 1
173 . 1 1 18 18 VAL HG22 H 1 0.548 0.020 . 1 . . . . 294 VAL HG2 . 7414 1
174 . 1 1 18 18 VAL HG23 H 1 0.548 0.020 . 1 . . . . 294 VAL HG2 . 7414 1
175 . 1 1 18 18 VAL C C 13 175.141 0.3 . 1 . . . . 294 VAL C . 7414 1
176 . 1 1 18 18 VAL CA C 13 58.548 0.3 . 1 . . . . 294 VAL CA . 7414 1
177 . 1 1 18 18 VAL CB C 13 30.182 0.3 . 1 . . . . 294 VAL CB . 7414 1
178 . 1 1 18 18 VAL CG1 C 13 19.364 0.3 . 1 . . . . 294 VAL CG1 . 7414 1
179 . 1 1 18 18 VAL CG2 C 13 17.579 0.3 . 1 . . . . 294 VAL CG2 . 7414 1
180 . 1 1 18 18 VAL N N 15 122.851 0.3 . 1 . . . . 294 VAL N . 7414 1
181 . 1 1 19 19 GLY H H 1 10.028 0.020 . 1 . . . . 295 GLY H . 7414 1
182 . 1 1 19 19 GLY HA2 H 1 3.829 0.020 . 1 . . . . 295 GLY HA2 . 7414 1
183 . 1 1 19 19 GLY C C 13 172.995 0.3 . 1 . . . . 295 GLY C . 7414 1
184 . 1 1 19 19 GLY CA C 13 44.522 0.3 . 1 . . . . 295 GLY CA . 7414 1
185 . 1 1 19 19 GLY N N 15 120.262 0.3 . 1 . . . . 295 GLY N . 7414 1
186 . 1 1 20 20 ASN H H 1 8.744 0.020 . 1 . . . . 296 ASN H . 7414 1
187 . 1 1 20 20 ASN HA H 1 4.674 0.020 . 1 . . . . 296 ASN HA . 7414 1
188 . 1 1 20 20 ASN HB2 H 1 3.092 0.020 . 2 . . . . 296 ASN HB2 . 7414 1
189 . 1 1 20 20 ASN HB3 H 1 2.778 0.020 . 2 . . . . 296 ASN HB3 . 7414 1
190 . 1 1 20 20 ASN HD21 H 1 7.658 0.020 . 1 . . . . 296 ASN HD21 . 7414 1
191 . 1 1 20 20 ASN HD22 H 1 6.907 0.020 . 1 . . . . 296 ASN HD22 . 7414 1
192 . 1 1 20 20 ASN C C 13 171.419 0.3 . 1 . . . . 296 ASN C . 7414 1
193 . 1 1 20 20 ASN CA C 13 50.668 0.3 . 1 . . . . 296 ASN CA . 7414 1
194 . 1 1 20 20 ASN CB C 13 34.474 0.3 . 1 . . . . 296 ASN CB . 7414 1
195 . 1 1 20 20 ASN N N 15 126.570 0.3 . 1 . . . . 296 ASN N . 7414 1
196 . 1 1 20 20 ASN ND2 N 15 112.073 0.3 . 1 . . . . 296 ASN ND2 . 7414 1
197 . 1 1 21 21 LYS H H 1 7.936 0.020 . 1 . . . . 297 LYS H . 7414 1
198 . 1 1 21 21 LYS HA H 1 4.948 0.020 . 1 . . . . 297 LYS HA . 7414 1
199 . 1 1 21 21 LYS HB2 H 1 1.918 0.020 . 2 . . . . 297 LYS HB2 . 7414 1
200 . 1 1 21 21 LYS HB3 H 1 1.649 0.020 . 2 . . . . 297 LYS HB3 . 7414 1
201 . 1 1 21 21 LYS HD2 H 1 1.318 0.020 . 1 . . . . 297 LYS HD2 . 7414 1
202 . 1 1 21 21 LYS HE2 H 1 2.802 0.020 . 1 . . . . 297 LYS HE2 . 7414 1
203 . 1 1 21 21 LYS HG2 H 1 1.593 0.020 . 1 . . . . 297 LYS HG2 . 7414 1
204 . 1 1 21 21 LYS C C 13 173.480 0.3 . 1 . . . . 297 LYS C . 7414 1
205 . 1 1 21 21 LYS CA C 13 51.759 0.3 . 1 . . . . 297 LYS CA . 7414 1
206 . 1 1 21 21 LYS CB C 13 32.397 0.3 . 1 . . . . 297 LYS CB . 7414 1
207 . 1 1 21 21 LYS CD C 13 21.557 0.3 . 1 . . . . 297 LYS CD . 7414 1
208 . 1 1 21 21 LYS CE C 13 39.121 0.3 . 1 . . . . 297 LYS CE . 7414 1
209 . 1 1 21 21 LYS CG C 13 25.609 0.3 . 1 . . . . 297 LYS CG . 7414 1
210 . 1 1 21 21 LYS N N 15 119.830 0.3 . 1 . . . . 297 LYS N . 7414 1
211 . 1 1 22 22 ILE H H 1 8.905 0.020 . 1 . . . . 298 ILE H . 7414 1
212 . 1 1 22 22 ILE HA H 1 3.959 0.020 . 1 . . . . 298 ILE HA . 7414 1
213 . 1 1 22 22 ILE HB H 1 1.124 0.020 . 1 . . . . 298 ILE HB . 7414 1
214 . 1 1 22 22 ILE HD11 H 1 -0.111 0.020 . 1 . . . . 298 ILE HD1 . 7414 1
215 . 1 1 22 22 ILE HD12 H 1 -0.111 0.020 . 1 . . . . 298 ILE HD1 . 7414 1
216 . 1 1 22 22 ILE HD13 H 1 -0.111 0.020 . 1 . . . . 298 ILE HD1 . 7414 1
217 . 1 1 22 22 ILE HG12 H 1 1.098 0.020 . 2 . . . . 298 ILE HG12 . 7414 1
218 . 1 1 22 22 ILE HG13 H 1 0.054 0.020 . 2 . . . . 298 ILE HG13 . 7414 1
219 . 1 1 22 22 ILE HG21 H 1 -0.939 0.020 . 1 . . . . 298 ILE HG2 . 7414 1
220 . 1 1 22 22 ILE HG22 H 1 -0.939 0.020 . 1 . . . . 298 ILE HG2 . 7414 1
221 . 1 1 22 22 ILE HG23 H 1 -0.939 0.020 . 1 . . . . 298 ILE HG2 . 7414 1
222 . 1 1 22 22 ILE C C 13 170.741 0.3 . 1 . . . . 298 ILE C . 7414 1
223 . 1 1 22 22 ILE CA C 13 59.371 0.3 . 1 . . . . 298 ILE CA . 7414 1
224 . 1 1 22 22 ILE CB C 13 36.616 0.3 . 1 . . . . 298 ILE CB . 7414 1
225 . 1 1 22 22 ILE CD1 C 13 10.061 0.3 . 1 . . . . 298 ILE CD1 . 7414 1
226 . 1 1 22 22 ILE CG1 C 13 23.074 0.3 . 1 . . . . 298 ILE CG1 . 7414 1
227 . 1 1 22 22 ILE CG2 C 13 15.182 0.3 . 1 . . . . 298 ILE CG2 . 7414 1
228 . 1 1 22 22 ILE N N 15 120.522 0.3 . 1 . . . . 298 ILE N . 7414 1
229 . 1 1 23 23 PHE H H 1 8.633 0.020 . 1 . . . . 299 PHE H . 7414 1
230 . 1 1 23 23 PHE HA H 1 4.997 0.020 . 1 . . . . 299 PHE HA . 7414 1
231 . 1 1 23 23 PHE HB2 H 1 2.701 0.020 . 1 . . . . 299 PHE HB2 . 7414 1
232 . 1 1 23 23 PHE HE1 H 1 6.380 0.020 . 1 . . . . 299 PHE HE1 . 7414 1
233 . 1 1 23 23 PHE C C 13 170.867 0.3 . 1 . . . . 299 PHE C . 7414 1
234 . 1 1 23 23 PHE CA C 13 53.034 0.3 . 1 . . . . 299 PHE CA . 7414 1
235 . 1 1 23 23 PHE CB C 13 38.092 0.3 . 1 . . . . 299 PHE CB . 7414 1
236 . 1 1 23 23 PHE N N 15 126.020 0.3 . 1 . . . . 299 PHE N . 7414 1
237 . 1 1 24 24 PHE H H 1 9.023 0.020 . 1 . . . . 300 PHE H . 7414 1
238 . 1 1 24 24 PHE HA H 1 4.515 0.020 . 1 . . . . 300 PHE HA . 7414 1
239 . 1 1 24 24 PHE HB2 H 1 3.070 0.020 . 2 . . . . 300 PHE HB2 . 7414 1
240 . 1 1 24 24 PHE HB3 H 1 1.953 0.020 . 2 . . . . 300 PHE HB3 . 7414 1
241 . 1 1 24 24 PHE HD1 H 1 6.046 0.020 . 1 . . . . 300 PHE HD1 . 7414 1
242 . 1 1 24 24 PHE C C 13 172.575 0.3 . 1 . . . . 300 PHE C . 7414 1
243 . 1 1 24 24 PHE CA C 13 52.149 0.3 . 1 . . . . 300 PHE CA . 7414 1
244 . 1 1 24 24 PHE CB C 13 37.326 0.3 . 1 . . . . 300 PHE CB . 7414 1
245 . 1 1 24 24 PHE N N 15 120.435 0.3 . 1 . . . . 300 PHE N . 7414 1
246 . 1 1 25 25 PHE H H 1 9.152 0.020 . 1 . . . . 301 PHE H . 7414 1
247 . 1 1 25 25 PHE HA H 1 5.306 0.020 . 1 . . . . 301 PHE HA . 7414 1
248 . 1 1 25 25 PHE HB2 H 1 3.884 0.020 . 2 . . . . 301 PHE HB2 . 7414 1
249 . 1 1 25 25 PHE HB3 H 1 2.956 0.020 . 2 . . . . 301 PHE HB3 . 7414 1
250 . 1 1 25 25 PHE HD1 H 1 7.101 0.020 . 1 . . . . 301 PHE HD1 . 7414 1
251 . 1 1 25 25 PHE HE1 H 1 6.822 0.020 . 1 . . . . 301 PHE HE1 . 7414 1
252 . 1 1 25 25 PHE C C 13 173.668 0.3 . 1 . . . . 301 PHE C . 7414 1
253 . 1 1 25 25 PHE CA C 13 55.788 0.3 . 1 . . . . 301 PHE CA . 7414 1
254 . 1 1 25 25 PHE CB C 13 37.068 0.3 . 1 . . . . 301 PHE CB . 7414 1
255 . 1 1 25 25 PHE N N 15 120.630 0.3 . 1 . . . . 301 PHE N . 7414 1
256 . 1 1 26 26 LYS H H 1 9.307 0.020 . 1 . . . . 302 LYS H . 7414 1
257 . 1 1 26 26 LYS HA H 1 4.505 0.020 . 1 . . . . 302 LYS HA . 7414 1
258 . 1 1 26 26 LYS HB2 H 1 2.204 0.020 . 2 . . . . 302 LYS HB2 . 7414 1
259 . 1 1 26 26 LYS HB3 H 1 2.180 0.020 . 2 . . . . 302 LYS HB3 . 7414 1
260 . 1 1 26 26 LYS HD2 H 1 1.871 0.020 . 2 . . . . 302 LYS HD2 . 7414 1
261 . 1 1 26 26 LYS HD3 H 1 1.643 0.020 . 2 . . . . 302 LYS HD3 . 7414 1
262 . 1 1 26 26 LYS HE2 H 1 2.969 0.020 . 1 . . . . 302 LYS HE2 . 7414 1
263 . 1 1 26 26 LYS HG2 H 1 1.428 0.020 . 2 . . . . 302 LYS HG2 . 7414 1
264 . 1 1 26 26 LYS HG3 H 1 1.208 0.020 . 2 . . . . 302 LYS HG3 . 7414 1
265 . 1 1 26 26 LYS C C 13 171.346 0.3 . 1 . . . . 302 LYS C . 7414 1
266 . 1 1 26 26 LYS CA C 13 54.001 0.3 . 1 . . . . 302 LYS CA . 7414 1
267 . 1 1 26 26 LYS CB C 13 32.930 0.3 . 1 . . . . 302 LYS CB . 7414 1
268 . 1 1 26 26 LYS CD C 13 25.462 0.3 . 1 . . . . 302 LYS CD . 7414 1
269 . 1 1 26 26 LYS CE C 13 39.448 0.3 . 1 . . . . 302 LYS CE . 7414 1
270 . 1 1 26 26 LYS CG C 13 22.028 0.3 . 1 . . . . 302 LYS CG . 7414 1
271 . 1 1 26 26 LYS N N 15 123.641 0.3 . 1 . . . . 302 LYS N . 7414 1
272 . 1 1 27 27 ASP H H 1 10.100 0.020 . 1 . . . . 303 ASP H . 7414 1
273 . 1 1 27 27 ASP HA H 1 4.178 0.020 . 1 . . . . 303 ASP HA . 7414 1
274 . 1 1 27 27 ASP HB2 H 1 3.135 0.020 . 2 . . . . 303 ASP HB2 . 7414 1
275 . 1 1 27 27 ASP HB3 H 1 2.958 0.020 . 2 . . . . 303 ASP HB3 . 7414 1
276 . 1 1 27 27 ASP C C 13 173.939 0.3 . 1 . . . . 303 ASP C . 7414 1
277 . 1 1 27 27 ASP CA C 13 53.742 0.3 . 1 . . . . 303 ASP CA . 7414 1
278 . 1 1 27 27 ASP CB C 13 37.161 0.3 . 1 . . . . 303 ASP CB . 7414 1
279 . 1 1 27 27 ASP N N 15 129.433 0.3 . 1 . . . . 303 ASP N . 7414 1
280 . 1 1 28 28 ARG H H 1 7.768 0.020 . 1 . . . . 304 ARG H . 7414 1
281 . 1 1 28 28 ARG HA H 1 4.402 0.020 . 1 . . . . 304 ARG HA . 7414 1
282 . 1 1 28 28 ARG HB2 H 1 1.265 0.020 . 2 . . . . 304 ARG HB2 . 7414 1
283 . 1 1 28 28 ARG HB3 H 1 1.539 0.020 . 2 . . . . 304 ARG HB3 . 7414 1
284 . 1 1 28 28 ARG HD2 H 1 2.939 0.020 . 2 . . . . 304 ARG HD2 . 7414 1
285 . 1 1 28 28 ARG HD3 H 1 2.913 0.020 . 2 . . . . 304 ARG HD3 . 7414 1
286 . 1 1 28 28 ARG HG2 H 1 0.935 0.020 . 2 . . . . 304 ARG HG2 . 7414 1
287 . 1 1 28 28 ARG HG3 H 1 0.923 0.020 . 2 . . . . 304 ARG HG3 . 7414 1
288 . 1 1 28 28 ARG C C 13 172.434 0.3 . 1 . . . . 304 ARG C . 7414 1
289 . 1 1 28 28 ARG CA C 13 53.570 0.3 . 1 . . . . 304 ARG CA . 7414 1
290 . 1 1 28 28 ARG CB C 13 27.510 0.3 . 1 . . . . 304 ARG CB . 7414 1
291 . 1 1 28 28 ARG CD C 13 40.376 0.3 . 1 . . . . 304 ARG CD . 7414 1
292 . 1 1 28 28 ARG CG C 13 23.028 0.3 . 1 . . . . 304 ARG CG . 7414 1
293 . 1 1 28 28 ARG N N 15 121.508 0.3 . 1 . . . . 304 ARG N . 7414 1
294 . 1 1 29 29 PHE H H 1 8.810 0.020 . 1 . . . . 305 PHE H . 7414 1
295 . 1 1 29 29 PHE HA H 1 5.291 0.020 . 1 . . . . 305 PHE HA . 7414 1
296 . 1 1 29 29 PHE HB2 H 1 2.806 0.020 . 2 . . . . 305 PHE HB2 . 7414 1
297 . 1 1 29 29 PHE HB3 H 1 2.418 0.020 . 2 . . . . 305 PHE HB3 . 7414 1
298 . 1 1 29 29 PHE HD1 H 1 6.934 0.020 . 1 . . . . 305 PHE HD1 . 7414 1
299 . 1 1 29 29 PHE HE1 H 1 7.201 0.020 . 1 . . . . 305 PHE HE1 . 7414 1
300 . 1 1 29 29 PHE C C 13 172.036 0.3 . 1 . . . . 305 PHE C . 7414 1
301 . 1 1 29 29 PHE CA C 13 54.650 0.3 . 1 . . . . 305 PHE CA . 7414 1
302 . 1 1 29 29 PHE CB C 13 39.901 0.3 . 1 . . . . 305 PHE CB . 7414 1
303 . 1 1 29 29 PHE N N 15 121.764 0.3 . 1 . . . . 305 PHE N . 7414 1
304 . 1 1 30 30 PHE H H 1 8.872 0.020 . 1 . . . . 306 PHE H . 7414 1
305 . 1 1 30 30 PHE HA H 1 5.800 0.020 . 1 . . . . 306 PHE HA . 7414 1
306 . 1 1 30 30 PHE HB2 H 1 2.584 0.020 . 2 . . . . 306 PHE HB2 . 7414 1
307 . 1 1 30 30 PHE HB3 H 1 2.254 0.020 . 2 . . . . 306 PHE HB3 . 7414 1
308 . 1 1 30 30 PHE HD1 H 1 6.490 0.020 . 1 . . . . 306 PHE HD1 . 7414 1
309 . 1 1 30 30 PHE HE1 H 1 6.661 0.020 . 1 . . . . 306 PHE HE1 . 7414 1
310 . 1 1 30 30 PHE C C 13 170.798 0.3 . 1 . . . . 306 PHE C . 7414 1
311 . 1 1 30 30 PHE CA C 13 53.159 0.3 . 1 . . . . 306 PHE CA . 7414 1
312 . 1 1 30 30 PHE CB C 13 39.129 0.3 . 1 . . . . 306 PHE CB . 7414 1
313 . 1 1 30 30 PHE N N 15 112.676 0.3 . 1 . . . . 306 PHE N . 7414 1
314 . 1 1 31 31 TRP H H 1 9.771 0.020 . 1 . . . . 307 TRP H . 7414 1
315 . 1 1 31 31 TRP HA H 1 5.116 0.020 . 1 . . . . 307 TRP HA . 7414 1
316 . 1 1 31 31 TRP HB2 H 1 2.320 0.020 . 2 . . . . 307 TRP HB2 . 7414 1
317 . 1 1 31 31 TRP HB3 H 1 2.975 0.020 . 2 . . . . 307 TRP HB3 . 7414 1
318 . 1 1 31 31 TRP HD1 H 1 7.538 0.020 . 1 . . . . 307 TRP HD1 . 7414 1
319 . 1 1 31 31 TRP HE1 H 1 9.853 0.020 . 1 . . . . 307 TRP HE1 . 7414 1
320 . 1 1 31 31 TRP HE3 H 1 6.820 0.020 . 1 . . . . 307 TRP HE3 . 7414 1
321 . 1 1 31 31 TRP C C 13 172.432 0.3 . 1 . . . . 307 TRP C . 7414 1
322 . 1 1 31 31 TRP CA C 13 53.780 0.3 . 1 . . . . 307 TRP CA . 7414 1
323 . 1 1 31 31 TRP CB C 13 28.701 0.3 . 1 . . . . 307 TRP CB . 7414 1
324 . 1 1 31 31 TRP N N 15 124.645 0.3 . 1 . . . . 307 TRP N . 7414 1
325 . 1 1 31 31 TRP NE1 N 15 128.112 0.3 . 1 . . . . 307 TRP NE1 . 7414 1
326 . 1 1 32 32 LEU H H 1 8.625 0.020 . 1 . . . . 308 LEU H . 7414 1
327 . 1 1 32 32 LEU HA H 1 5.020 0.020 . 1 . . . . 308 LEU HA . 7414 1
328 . 1 1 32 32 LEU HB2 H 1 1.553 0.020 . 2 . . . . 308 LEU HB2 . 7414 1
329 . 1 1 32 32 LEU HB3 H 1 0.762 0.020 . 2 . . . . 308 LEU HB3 . 7414 1
330 . 1 1 32 32 LEU HD11 H 1 0.439 0.020 . 1 . . . . 308 LEU HD1 . 7414 1
331 . 1 1 32 32 LEU HD12 H 1 0.439 0.020 . 1 . . . . 308 LEU HD1 . 7414 1
332 . 1 1 32 32 LEU HD13 H 1 0.439 0.020 . 1 . . . . 308 LEU HD1 . 7414 1
333 . 1 1 32 32 LEU HD21 H 1 -0.003 0.020 . 1 . . . . 308 LEU HD2 . 7414 1
334 . 1 1 32 32 LEU HD22 H 1 -0.003 0.020 . 1 . . . . 308 LEU HD2 . 7414 1
335 . 1 1 32 32 LEU HD23 H 1 -0.003 0.020 . 1 . . . . 308 LEU HD2 . 7414 1
336 . 1 1 32 32 LEU HG H 1 0.933 0.020 . 1 . . . . 308 LEU HG . 7414 1
337 . 1 1 32 32 LEU C C 13 172.241 0.3 . 1 . . . . 308 LEU C . 7414 1
338 . 1 1 32 32 LEU CA C 13 50.244 0.3 . 1 . . . . 308 LEU CA . 7414 1
339 . 1 1 32 32 LEU CB C 13 42.249 0.3 . 1 . . . . 308 LEU CB . 7414 1
340 . 1 1 32 32 LEU CD1 C 13 21.984 0.3 . 1 . . . . 308 LEU CD1 . 7414 1
341 . 1 1 32 32 LEU CD2 C 13 20.582 0.3 . 1 . . . . 308 LEU CD2 . 7414 1
342 . 1 1 32 32 LEU CG C 13 24.035 0.3 . 1 . . . . 308 LEU CG . 7414 1
343 . 1 1 32 32 LEU N N 15 124.067 0.3 . 1 . . . . 308 LEU N . 7414 1
344 . 1 1 33 33 LYS H H 1 9.016 0.020 . 1 . . . . 309 LYS H . 7414 1
345 . 1 1 33 33 LYS HA H 1 4.897 0.020 . 1 . . . . 309 LYS HA . 7414 1
346 . 1 1 33 33 LYS HB2 H 1 1.673 0.020 . 2 . . . . 309 LYS HB2 . 7414 1
347 . 1 1 33 33 LYS HB3 H 1 1.932 0.020 . 2 . . . . 309 LYS HB3 . 7414 1
348 . 1 1 33 33 LYS HD2 H 1 1.875 0.020 . 2 . . . . 309 LYS HD2 . 7414 1
349 . 1 1 33 33 LYS HD3 H 1 1.540 0.020 . 2 . . . . 309 LYS HD3 . 7414 1
350 . 1 1 33 33 LYS HE2 H 1 3.186 0.020 . 1 . . . . 309 LYS HE2 . 7414 1
351 . 1 1 33 33 LYS HG2 H 1 1.485 0.020 . 2 . . . . 309 LYS HG2 . 7414 1
352 . 1 1 33 33 LYS HG3 H 1 1.374 0.020 . 2 . . . . 309 LYS HG3 . 7414 1
353 . 1 1 33 33 LYS C C 13 172.162 0.3 . 1 . . . . 309 LYS C . 7414 1
354 . 1 1 33 33 LYS CA C 13 50.942 0.3 . 1 . . . . 309 LYS CA . 7414 1
355 . 1 1 33 33 LYS CB C 13 32.307 0.3 . 1 . . . . 309 LYS CB . 7414 1
356 . 1 1 33 33 LYS CD C 13 25.552 0.3 . 1 . . . . 309 LYS CD . 7414 1
357 . 1 1 33 33 LYS CE C 13 39.436 0.3 . 1 . . . . 309 LYS CE . 7414 1
358 . 1 1 33 33 LYS CG C 13 21.681 0.3 . 1 . . . . 309 LYS CG . 7414 1
359 . 1 1 33 33 LYS N N 15 129.020 0.3 . 1 . . . . 309 LYS N . 7414 1
360 . 1 1 34 34 VAL H H 1 9.122 0.020 . 1 . . . . 310 VAL H . 7414 1
361 . 1 1 34 34 VAL HA H 1 4.289 0.020 . 1 . . . . 310 VAL HA . 7414 1
362 . 1 1 34 34 VAL HB H 1 1.978 0.020 . 1 . . . . 310 VAL HB . 7414 1
363 . 1 1 34 34 VAL HG11 H 1 0.824 0.020 . 1 . . . . 310 VAL HG1 . 7414 1
364 . 1 1 34 34 VAL HG12 H 1 0.824 0.020 . 1 . . . . 310 VAL HG1 . 7414 1
365 . 1 1 34 34 VAL HG13 H 1 0.824 0.020 . 1 . . . . 310 VAL HG1 . 7414 1
366 . 1 1 34 34 VAL HG21 H 1 0.768 0.020 . 1 . . . . 310 VAL HG2 . 7414 1
367 . 1 1 34 34 VAL HG22 H 1 0.768 0.020 . 1 . . . . 310 VAL HG2 . 7414 1
368 . 1 1 34 34 VAL HG23 H 1 0.768 0.020 . 1 . . . . 310 VAL HG2 . 7414 1
369 . 1 1 34 34 VAL C C 13 173.474 0.3 . 1 . . . . 310 VAL C . 7414 1
370 . 1 1 34 34 VAL CA C 13 58.475 0.3 . 1 . . . . 310 VAL CA . 7414 1
371 . 1 1 34 34 VAL CB C 13 29.843 0.3 . 1 . . . . 310 VAL CB . 7414 1
372 . 1 1 34 34 VAL CG1 C 13 17.804 0.3 . 1 . . . . 310 VAL CG1 . 7414 1
373 . 1 1 34 34 VAL CG2 C 13 17.804 0.3 . 1 . . . . 310 VAL CG2 . 7414 1
374 . 1 1 34 34 VAL N N 15 125.983 0.3 . 1 . . . . 310 VAL N . 7414 1
375 . 1 1 35 35 SER H H 1 8.586 0.020 . 1 . . . . 311 SER H . 7414 1
376 . 1 1 35 35 SER HA H 1 4.073 0.020 . 1 . . . . 311 SER HA . 7414 1
377 . 1 1 35 35 SER HB2 H 1 3.851 0.020 . 2 . . . . 311 SER HB2 . 7414 1
378 . 1 1 35 35 SER HB3 H 1 3.834 0.020 . 2 . . . . 311 SER HB3 . 7414 1
379 . 1 1 35 35 SER C C 13 172.478 0.3 . 1 . . . . 311 SER C . 7414 1
380 . 1 1 35 35 SER CA C 13 58.043 0.3 . 1 . . . . 311 SER CA . 7414 1
381 . 1 1 35 35 SER CB C 13 60.148 0.3 . 1 . . . . 311 SER CB . 7414 1
382 . 1 1 35 35 SER N N 15 121.508 0.3 . 1 . . . . 311 SER N . 7414 1
383 . 1 1 36 36 GLU H H 1 8.694 0.020 . 1 . . . . 312 GLU H . 7414 1
384 . 1 1 36 36 GLU HA H 1 4.022 0.020 . 1 . . . . 312 GLU HA . 7414 1
385 . 1 1 36 36 GLU HB2 H 1 2.143 0.020 . 2 . . . . 312 GLU HB2 . 7414 1
386 . 1 1 36 36 GLU HB3 H 1 2.038 0.020 . 2 . . . . 312 GLU HB3 . 7414 1
387 . 1 1 36 36 GLU HG2 H 1 2.202 0.020 . 1 . . . . 312 GLU HG2 . 7414 1
388 . 1 1 36 36 GLU C C 13 173.067 0.3 . 1 . . . . 312 GLU C . 7414 1
389 . 1 1 36 36 GLU CA C 13 54.799 0.3 . 1 . . . . 312 GLU CA . 7414 1
390 . 1 1 36 36 GLU CB C 13 25.185 0.3 . 1 . . . . 312 GLU CB . 7414 1
391 . 1 1 36 36 GLU CG C 13 33.389 0.3 . 1 . . . . 312 GLU CG . 7414 1
392 . 1 1 36 36 GLU N N 15 116.968 0.3 . 1 . . . . 312 GLU N . 7414 1
393 . 1 1 37 37 ARG H H 1 7.725 0.020 . 1 . . . . 313 ARG H . 7414 1
394 . 1 1 37 37 ARG HA H 1 4.784 0.020 . 1 . . . . 313 ARG HA . 7414 1
395 . 1 1 37 37 ARG HB2 H 1 1.925 0.020 . 2 . . . . 313 ARG HB2 . 7414 1
396 . 1 1 37 37 ARG HB3 H 1 1.700 0.020 . 2 . . . . 313 ARG HB3 . 7414 1
397 . 1 1 37 37 ARG HD2 H 1 3.134 0.020 . 2 . . . . 313 ARG HD2 . 7414 1
398 . 1 1 37 37 ARG HD3 H 1 3.079 0.020 . 2 . . . . 313 ARG HD3 . 7414 1
399 . 1 1 37 37 ARG HG2 H 1 1.538 0.020 . 1 . . . . 313 ARG HG2 . 7414 1
400 . 1 1 37 37 ARG CA C 13 50.050 0.3 . 1 . . . . 313 ARG CA . 7414 1
401 . 1 1 37 37 ARG CB C 13 27.933 0.3 . 1 . . . . 313 ARG CB . 7414 1
402 . 1 1 37 37 ARG CD C 13 40.120 0.3 . 1 . . . . 313 ARG CD . 7414 1
403 . 1 1 37 37 ARG CG C 13 23.385 0.3 . 1 . . . . 313 ARG CG . 7414 1
404 . 1 1 37 37 ARG N N 15 119.375 0.3 . 1 . . . . 313 ARG N . 7414 1
405 . 1 1 38 38 PRO HA H 1 4.337 0.020 . 1 . . . . 314 PRO HA . 7414 1
406 . 1 1 38 38 PRO HB2 H 1 2.134 0.020 . 2 . . . . 314 PRO HB2 . 7414 1
407 . 1 1 38 38 PRO HB3 H 1 1.915 0.020 . 2 . . . . 314 PRO HB3 . 7414 1
408 . 1 1 38 38 PRO HD2 H 1 3.739 0.020 . 2 . . . . 314 PRO HD2 . 7414 1
409 . 1 1 38 38 PRO HD3 H 1 3.648 0.020 . 2 . . . . 314 PRO HD3 . 7414 1
410 . 1 1 38 38 PRO HG2 H 1 1.900 0.020 . 2 . . . . 314 PRO HG2 . 7414 1
411 . 1 1 38 38 PRO HG3 H 1 1.776 0.020 . 2 . . . . 314 PRO HG3 . 7414 1
412 . 1 1 38 38 PRO C C 13 174.400 0.3 . 1 . . . . 314 PRO C . 7414 1
413 . 1 1 38 38 PRO CA C 13 61.073 0.3 . 1 . . . . 314 PRO CA . 7414 1
414 . 1 1 38 38 PRO CB C 13 28.772 0.3 . 1 . . . . 314 PRO CB . 7414 1
415 . 1 1 38 38 PRO CD C 13 47.592 0.3 . 1 . . . . 314 PRO CD . 7414 1
416 . 1 1 38 38 PRO CG C 13 23.740 0.3 . 1 . . . . 314 PRO CG . 7414 1
417 . 1 1 39 39 LYS H H 1 7.631 0.020 . 1 . . . . 315 LYS H . 7414 1
418 . 1 1 39 39 LYS HA H 1 4.333 0.020 . 1 . . . . 315 LYS HA . 7414 1
419 . 1 1 39 39 LYS HB2 H 1 1.648 0.020 . 1 . . . . 315 LYS HB2 . 7414 1
420 . 1 1 39 39 LYS HD2 H 1 1.536 0.020 . 1 . . . . 315 LYS HD2 . 7414 1
421 . 1 1 39 39 LYS HE2 H 1 2.803 0.020 . 1 . . . . 315 LYS HE2 . 7414 1
422 . 1 1 39 39 LYS HG2 H 1 1.263 0.020 . 2 . . . . 315 LYS HG2 . 7414 1
423 . 1 1 39 39 LYS HG3 H 1 1.206 0.020 . 2 . . . . 315 LYS HG3 . 7414 1
424 . 1 1 39 39 LYS C C 13 173.720 0.3 . 1 . . . . 315 LYS C . 7414 1
425 . 1 1 39 39 LYS CA C 13 53.524 0.3 . 1 . . . . 315 LYS CA . 7414 1
426 . 1 1 39 39 LYS CB C 13 30.317 0.3 . 1 . . . . 315 LYS CB . 7414 1
427 . 1 1 39 39 LYS CD C 13 25.745 0.3 . 1 . . . . 315 LYS CD . 7414 1
428 . 1 1 39 39 LYS CE C 13 38.926 0.3 . 1 . . . . 315 LYS CE . 7414 1
429 . 1 1 39 39 LYS CG C 13 21.682 0.3 . 1 . . . . 315 LYS CG . 7414 1
430 . 1 1 39 39 LYS N N 15 118.707 0.3 . 1 . . . . 315 LYS N . 7414 1
431 . 1 1 40 40 THR H H 1 8.397 0.020 . 1 . . . . 316 THR H . 7414 1
432 . 1 1 40 40 THR HA H 1 4.636 0.020 . 1 . . . . 316 THR HA . 7414 1
433 . 1 1 40 40 THR HB H 1 3.629 0.020 . 1 . . . . 316 THR HB . 7414 1
434 . 1 1 40 40 THR HG21 H 1 0.657 0.020 . 1 . . . . 316 THR HG2 . 7414 1
435 . 1 1 40 40 THR HG22 H 1 0.657 0.020 . 1 . . . . 316 THR HG2 . 7414 1
436 . 1 1 40 40 THR HG23 H 1 0.657 0.020 . 1 . . . . 316 THR HG2 . 7414 1
437 . 1 1 40 40 THR C C 13 171.934 0.3 . 1 . . . . 316 THR C . 7414 1
438 . 1 1 40 40 THR CA C 13 59.730 0.3 . 1 . . . . 316 THR CA . 7414 1
439 . 1 1 40 40 THR CB C 13 67.204 0.3 . 1 . . . . 316 THR CB . 7414 1
440 . 1 1 40 40 THR CG2 C 13 18.300 0.3 . 1 . . . . 316 THR CG2 . 7414 1
441 . 1 1 40 40 THR N N 15 123.318 0.3 . 1 . . . . 316 THR N . 7414 1
442 . 1 1 41 41 SER H H 1 8.138 0.020 . 1 . . . . 317 SER H . 7414 1
443 . 1 1 41 41 SER HA H 1 4.593 0.020 . 1 . . . . 317 SER HA . 7414 1
444 . 1 1 41 41 SER HB2 H 1 3.646 0.020 . 2 . . . . 317 SER HB2 . 7414 1
445 . 1 1 41 41 SER HB3 H 1 3.609 0.020 . 2 . . . . 317 SER HB3 . 7414 1
446 . 1 1 41 41 SER C C 13 169.433 0.3 . 1 . . . . 317 SER C . 7414 1
447 . 1 1 41 41 SER CA C 13 53.076 0.3 . 1 . . . . 317 SER CA . 7414 1
448 . 1 1 41 41 SER CB C 13 62.451 0.3 . 1 . . . . 317 SER CB . 7414 1
449 . 1 1 41 41 SER N N 15 119.444 0.3 . 1 . . . . 317 SER N . 7414 1
450 . 1 1 42 42 VAL H H 1 8.211 0.020 . 1 . . . . 318 VAL H . 7414 1
451 . 1 1 42 42 VAL HA H 1 4.125 0.020 . 1 . . . . 318 VAL HA . 7414 1
452 . 1 1 42 42 VAL HB H 1 1.260 0.020 . 1 . . . . 318 VAL HB . 7414 1
453 . 1 1 42 42 VAL HG11 H 1 0.108 0.020 . 1 . . . . 318 VAL HG1 . 7414 1
454 . 1 1 42 42 VAL HG12 H 1 0.108 0.020 . 1 . . . . 318 VAL HG1 . 7414 1
455 . 1 1 42 42 VAL HG13 H 1 0.108 0.020 . 1 . . . . 318 VAL HG1 . 7414 1
456 . 1 1 42 42 VAL HG21 H 1 -0.278 0.020 . 1 . . . . 318 VAL HG2 . 7414 1
457 . 1 1 42 42 VAL HG22 H 1 -0.278 0.020 . 1 . . . . 318 VAL HG2 . 7414 1
458 . 1 1 42 42 VAL HG23 H 1 -0.278 0.020 . 1 . . . . 318 VAL HG2 . 7414 1
459 . 1 1 42 42 VAL C C 13 171.529 0.3 . 1 . . . . 318 VAL C . 7414 1
460 . 1 1 42 42 VAL CA C 13 57.479 0.3 . 1 . . . . 318 VAL CA . 7414 1
461 . 1 1 42 42 VAL CB C 13 30.030 0.3 . 1 . . . . 318 VAL CB . 7414 1
462 . 1 1 42 42 VAL CG1 C 13 17.188 0.3 . 1 . . . . 318 VAL CG1 . 7414 1
463 . 1 1 42 42 VAL CG2 C 13 15.954 0.3 . 1 . . . . 318 VAL CG2 . 7414 1
464 . 1 1 42 42 VAL N N 15 122.646 0.3 . 1 . . . . 318 VAL N . 7414 1
465 . 1 1 43 43 ASN H H 1 8.042 0.020 . 1 . . . . 319 ASN H . 7414 1
466 . 1 1 43 43 ASN HA H 1 4.620 0.020 . 1 . . . . 319 ASN HA . 7414 1
467 . 1 1 43 43 ASN HB2 H 1 1.703 0.020 . 2 . . . . 319 ASN HB2 . 7414 1
468 . 1 1 43 43 ASN HB3 H 1 0.881 0.020 . 2 . . . . 319 ASN HB3 . 7414 1
469 . 1 1 43 43 ASN HD21 H 1 5.895 0.020 . 1 . . . . 319 ASN HD21 . 7414 1
470 . 1 1 43 43 ASN HD22 H 1 6.698 0.020 . 1 . . . . 319 ASN HD22 . 7414 1
471 . 1 1 43 43 ASN C C 13 170.597 0.3 . 1 . . . . 319 ASN C . 7414 1
472 . 1 1 43 43 ASN CA C 13 48.199 0.3 . 1 . . . . 319 ASN CA . 7414 1
473 . 1 1 43 43 ASN CB C 13 40.265 0.3 . 1 . . . . 319 ASN CB . 7414 1
474 . 1 1 43 43 ASN N N 15 123.820 0.3 . 1 . . . . 319 ASN N . 7414 1
475 . 1 1 43 43 ASN ND2 N 15 113.985 0.3 . 1 . . . . 319 ASN ND2 . 7414 1
476 . 1 1 44 44 LEU H H 1 8.792 0.020 . 1 . . . . 320 LEU H . 7414 1
477 . 1 1 44 44 LEU HA H 1 4.404 0.020 . 1 . . . . 320 LEU HA . 7414 1
478 . 1 1 44 44 LEU HB2 H 1 1.453 0.020 . 1 . . . . 320 LEU HB2 . 7414 1
479 . 1 1 44 44 LEU HD11 H 1 0.383 0.020 . 1 . . . . 320 LEU HD1 . 7414 1
480 . 1 1 44 44 LEU HD12 H 1 0.383 0.020 . 1 . . . . 320 LEU HD1 . 7414 1
481 . 1 1 44 44 LEU HD13 H 1 0.383 0.020 . 1 . . . . 320 LEU HD1 . 7414 1
482 . 1 1 44 44 LEU HD21 H 1 0.657 0.020 . 1 . . . . 320 LEU HD2 . 7414 1
483 . 1 1 44 44 LEU HD22 H 1 0.657 0.020 . 1 . . . . 320 LEU HD2 . 7414 1
484 . 1 1 44 44 LEU HD23 H 1 0.657 0.020 . 1 . . . . 320 LEU HD2 . 7414 1
485 . 1 1 44 44 LEU HG H 1 1.484 0.020 . 1 . . . . 320 LEU HG . 7414 1
486 . 1 1 44 44 LEU C C 13 176.942 0.3 . 1 . . . . 320 LEU C . 7414 1
487 . 1 1 44 44 LEU CA C 13 51.360 0.3 . 1 . . . . 320 LEU CA . 7414 1
488 . 1 1 44 44 LEU CB C 13 38.801 0.3 . 1 . . . . 320 LEU CB . 7414 1
489 . 1 1 44 44 LEU CD1 C 13 22.092 0.3 . 1 . . . . 320 LEU CD1 . 7414 1
490 . 1 1 44 44 LEU CD2 C 13 20.593 0.3 . 1 . . . . 320 LEU CD2 . 7414 1
491 . 1 1 44 44 LEU CG C 13 23.681 0.3 . 1 . . . . 320 LEU CG . 7414 1
492 . 1 1 44 44 LEU N N 15 120.770 0.3 . 1 . . . . 320 LEU N . 7414 1
493 . 1 1 45 45 ILE H H 1 9.007 0.020 . 1 . . . . 321 ILE H . 7414 1
494 . 1 1 45 45 ILE HA H 1 3.710 0.020 . 1 . . . . 321 ILE HA . 7414 1
495 . 1 1 45 45 ILE HB H 1 1.645 0.020 . 1 . . . . 321 ILE HB . 7414 1
496 . 1 1 45 45 ILE HD11 H 1 1.156 0.020 . 1 . . . . 321 ILE HD1 . 7414 1
497 . 1 1 45 45 ILE HD12 H 1 1.156 0.020 . 1 . . . . 321 ILE HD1 . 7414 1
498 . 1 1 45 45 ILE HD13 H 1 1.156 0.020 . 1 . . . . 321 ILE HD1 . 7414 1
499 . 1 1 45 45 ILE HG12 H 1 1.702 0.020 . 2 . . . . 321 ILE HG12 . 7414 1
500 . 1 1 45 45 ILE HG13 H 1 1.100 0.020 . 2 . . . . 321 ILE HG13 . 7414 1
501 . 1 1 45 45 ILE HG21 H 1 0.945 0.020 . 1 . . . . 321 ILE HG2 . 7414 1
502 . 1 1 45 45 ILE HG22 H 1 0.945 0.020 . 1 . . . . 321 ILE HG2 . 7414 1
503 . 1 1 45 45 ILE HG23 H 1 0.945 0.020 . 1 . . . . 321 ILE HG2 . 7414 1
504 . 1 1 45 45 ILE C C 13 175.132 0.3 . 1 . . . . 321 ILE C . 7414 1
505 . 1 1 45 45 ILE CA C 13 63.780 0.3 . 1 . . . . 321 ILE CA . 7414 1
506 . 1 1 45 45 ILE CB C 13 35.838 0.3 . 1 . . . . 321 ILE CB . 7414 1
507 . 1 1 45 45 ILE CD1 C 13 11.455 0.3 . 1 . . . . 321 ILE CD1 . 7414 1
508 . 1 1 45 45 ILE CG1 C 13 28.128 0.3 . 1 . . . . 321 ILE CG1 . 7414 1
509 . 1 1 45 45 ILE CG2 C 13 13.971 0.3 . 1 . . . . 321 ILE CG2 . 7414 1
510 . 1 1 45 45 ILE N N 15 127.995 0.3 . 1 . . . . 321 ILE N . 7414 1
511 . 1 1 46 46 SER H H 1 8.625 0.020 . 1 . . . . 322 SER H . 7414 1
512 . 1 1 46 46 SER HA H 1 3.741 0.020 . 1 . . . . 322 SER HA . 7414 1
513 . 1 1 46 46 SER HB2 H 1 3.797 0.020 . 1 . . . . 322 SER HB2 . 7414 1
514 . 1 1 46 46 SER C C 13 171.999 0.3 . 1 . . . . 322 SER C . 7414 1
515 . 1 1 46 46 SER CA C 13 57.027 0.3 . 1 . . . . 322 SER CA . 7414 1
516 . 1 1 46 46 SER CB C 13 59.745 0.3 . 1 . . . . 322 SER CB . 7414 1
517 . 1 1 46 46 SER N N 15 112.593 0.3 . 1 . . . . 322 SER N . 7414 1
518 . 1 1 47 47 SER H H 1 7.487 0.020 . 1 . . . . 323 SER H . 7414 1
519 . 1 1 47 47 SER HA H 1 4.092 0.020 . 1 . . . . 323 SER HA . 7414 1
520 . 1 1 47 47 SER HB2 H 1 4.062 0.020 . 2 . . . . 323 SER HB2 . 7414 1
521 . 1 1 47 47 SER HB3 H 1 3.829 0.020 . 2 . . . . 323 SER HB3 . 7414 1
522 . 1 1 47 47 SER C C 13 171.045 0.3 . 1 . . . . 323 SER C . 7414 1
523 . 1 1 47 47 SER CA C 13 57.530 0.3 . 1 . . . . 323 SER CA . 7414 1
524 . 1 1 47 47 SER CB C 13 60.086 0.3 . 1 . . . . 323 SER CB . 7414 1
525 . 1 1 47 47 SER N N 15 116.803 0.3 . 1 . . . . 323 SER N . 7414 1
526 . 1 1 48 48 LEU H H 1 6.986 0.020 . 1 . . . . 324 LEU H . 7414 1
527 . 1 1 48 48 LEU HA H 1 4.205 0.020 . 1 . . . . 324 LEU HA . 7414 1
528 . 1 1 48 48 LEU HB2 H 1 0.711 0.020 . 2 . . . . 324 LEU HB2 . 7414 1
529 . 1 1 48 48 LEU HB3 H 1 0.493 0.020 . 2 . . . . 324 LEU HB3 . 7414 1
530 . 1 1 48 48 LEU HD11 H 1 -0.327 0.020 . 1 . . . . 324 LEU HD1 . 7414 1
531 . 1 1 48 48 LEU HD12 H 1 -0.327 0.020 . 1 . . . . 324 LEU HD1 . 7414 1
532 . 1 1 48 48 LEU HD13 H 1 -0.327 0.020 . 1 . . . . 324 LEU HD1 . 7414 1
533 . 1 1 48 48 LEU HD21 H 1 0.292 0.020 . 1 . . . . 324 LEU HD2 . 7414 1
534 . 1 1 48 48 LEU HD22 H 1 0.292 0.020 . 1 . . . . 324 LEU HD2 . 7414 1
535 . 1 1 48 48 LEU HD23 H 1 0.292 0.020 . 1 . . . . 324 LEU HD2 . 7414 1
536 . 1 1 48 48 LEU HG H 1 -0.113 0.020 . 1 . . . . 324 LEU HG . 7414 1
537 . 1 1 48 48 LEU C C 13 173.329 0.3 . 1 . . . . 324 LEU C . 7414 1
538 . 1 1 48 48 LEU CA C 13 52.668 0.3 . 1 . . . . 324 LEU CA . 7414 1
539 . 1 1 48 48 LEU CB C 13 40.743 0.3 . 1 . . . . 324 LEU CB . 7414 1
540 . 1 1 48 48 LEU CD1 C 13 21.236 0.3 . 1 . . . . 324 LEU CD1 . 7414 1
541 . 1 1 48 48 LEU CD2 C 13 19.987 0.3 . 1 . . . . 324 LEU CD2 . 7414 1
542 . 1 1 48 48 LEU CG C 13 22.681 0.3 . 1 . . . . 324 LEU CG . 7414 1
543 . 1 1 48 48 LEU N N 15 122.829 0.3 . 1 . . . . 324 LEU N . 7414 1
544 . 1 1 49 49 TRP H H 1 7.905 0.020 . 1 . . . . 325 TRP H . 7414 1
545 . 1 1 49 49 TRP HA H 1 5.280 0.020 . 1 . . . . 325 TRP HA . 7414 1
546 . 1 1 49 49 TRP HB2 H 1 2.911 0.020 . 2 . . . . 325 TRP HB2 . 7414 1
547 . 1 1 49 49 TRP HB3 H 1 2.694 0.020 . 2 . . . . 325 TRP HB3 . 7414 1
548 . 1 1 49 49 TRP HE1 H 1 9.398 0.020 . 1 . . . . 325 TRP HE1 . 7414 1
549 . 1 1 49 49 TRP CA C 13 50.322 0.3 . 1 . . . . 325 TRP CA . 7414 1
550 . 1 1 49 49 TRP CB C 13 25.932 0.3 . 1 . . . . 325 TRP CB . 7414 1
551 . 1 1 49 49 TRP N N 15 116.968 0.3 . 1 . . . . 325 TRP N . 7414 1
552 . 1 1 49 49 TRP NE1 N 15 126.211 0.3 . 1 . . . . 325 TRP NE1 . 7414 1
553 . 1 1 50 50 PRO HA H 1 4.267 0.020 . 1 . . . . 326 PRO HA . 7414 1
554 . 1 1 50 50 PRO HB2 H 1 2.378 0.020 . 2 . . . . 326 PRO HB2 . 7414 1
555 . 1 1 50 50 PRO HB3 H 1 1.885 0.020 . 2 . . . . 326 PRO HB3 . 7414 1
556 . 1 1 50 50 PRO HD2 H 1 3.243 0.020 . 1 . . . . 326 PRO HD2 . 7414 1
557 . 1 1 50 50 PRO HG2 H 1 1.965 0.020 . 2 . . . . 326 PRO HG2 . 7414 1
558 . 1 1 50 50 PRO HG3 H 1 1.871 0.020 . 2 . . . . 326 PRO HG3 . 7414 1
559 . 1 1 50 50 PRO C C 13 175.170 0.3 . 1 . . . . 326 PRO C . 7414 1
560 . 1 1 50 50 PRO CA C 13 61.695 0.3 . 1 . . . . 326 PRO CA . 7414 1
561 . 1 1 50 50 PRO CB C 13 29.068 0.3 . 1 . . . . 326 PRO CB . 7414 1
562 . 1 1 50 50 PRO CD C 13 47.567 0.3 . 1 . . . . 326 PRO CD . 7414 1
563 . 1 1 50 50 PRO CG C 13 23.735 0.3 . 1 . . . . 326 PRO CG . 7414 1
564 . 1 1 51 51 THR H H 1 8.358 0.020 . 1 . . . . 327 THR H . 7414 1
565 . 1 1 51 51 THR HA H 1 4.254 0.020 . 1 . . . . 327 THR HA . 7414 1
566 . 1 1 51 51 THR HB H 1 4.406 0.020 . 1 . . . . 327 THR HB . 7414 1
567 . 1 1 51 51 THR HG21 H 1 1.097 0.020 . 1 . . . . 327 THR HG2 . 7414 1
568 . 1 1 51 51 THR HG22 H 1 1.097 0.020 . 1 . . . . 327 THR HG2 . 7414 1
569 . 1 1 51 51 THR HG23 H 1 1.097 0.020 . 1 . . . . 327 THR HG2 . 7414 1
570 . 1 1 51 51 THR C C 13 171.867 0.3 . 1 . . . . 327 THR C . 7414 1
571 . 1 1 51 51 THR CA C 13 58.671 0.3 . 1 . . . . 327 THR CA . 7414 1
572 . 1 1 51 51 THR CB C 13 65.743 0.3 . 1 . . . . 327 THR CB . 7414 1
573 . 1 1 51 51 THR CG2 C 13 18.234 0.3 . 1 . . . . 327 THR CG2 . 7414 1
574 . 1 1 51 51 THR N N 15 107.723 0.3 . 1 . . . . 327 THR N . 7414 1
575 . 1 1 52 52 LEU H H 1 7.185 0.020 . 1 . . . . 328 LEU H . 7414 1
576 . 1 1 52 52 LEU HA H 1 3.738 0.020 . 1 . . . . 328 LEU HA . 7414 1
577 . 1 1 52 52 LEU HB2 H 1 1.371 0.020 . 2 . . . . 328 LEU HB2 . 7414 1
578 . 1 1 52 52 LEU HB3 H 1 0.886 0.020 . 2 . . . . 328 LEU HB3 . 7414 1
579 . 1 1 52 52 LEU HD11 H 1 -0.112 0.020 . 1 . . . . 328 LEU HD1 . 7414 1
580 . 1 1 52 52 LEU HD12 H 1 -0.112 0.020 . 1 . . . . 328 LEU HD1 . 7414 1
581 . 1 1 52 52 LEU HD13 H 1 -0.112 0.020 . 1 . . . . 328 LEU HD1 . 7414 1
582 . 1 1 52 52 LEU HD21 H 1 -0.332 0.020 . 1 . . . . 328 LEU HD2 . 7414 1
583 . 1 1 52 52 LEU HD22 H 1 -0.332 0.020 . 1 . . . . 328 LEU HD2 . 7414 1
584 . 1 1 52 52 LEU HD23 H 1 -0.332 0.020 . 1 . . . . 328 LEU HD2 . 7414 1
585 . 1 1 52 52 LEU HG H 1 0.497 0.020 . 1 . . . . 328 LEU HG . 7414 1
586 . 1 1 52 52 LEU CA C 13 49.547 0.3 . 1 . . . . 328 LEU CA . 7414 1
587 . 1 1 52 52 LEU CB C 13 36.947 0.3 . 1 . . . . 328 LEU CB . 7414 1
588 . 1 1 52 52 LEU CD1 C 13 21.423 0.3 . 1 . . . . 328 LEU CD1 . 7414 1
589 . 1 1 52 52 LEU CD2 C 13 19.771 0.3 . 1 . . . . 328 LEU CD2 . 7414 1
590 . 1 1 52 52 LEU CG C 13 25.206 0.3 . 1 . . . . 328 LEU CG . 7414 1
591 . 1 1 52 52 LEU N N 15 125.801 0.3 . 1 . . . . 328 LEU N . 7414 1
592 . 1 1 53 53 PRO HA H 1 4.345 0.020 . 1 . . . . 329 PRO HA . 7414 1
593 . 1 1 53 53 PRO HB2 H 1 1.953 0.020 . 2 . . . . 329 PRO HB2 . 7414 1
594 . 1 1 53 53 PRO HB3 H 1 1.824 0.020 . 2 . . . . 329 PRO HB3 . 7414 1
595 . 1 1 53 53 PRO HD2 H 1 2.657 0.020 . 2 . . . . 329 PRO HD2 . 7414 1
596 . 1 1 53 53 PRO HD3 H 1 2.075 0.020 . 2 . . . . 329 PRO HD3 . 7414 1
597 . 1 1 53 53 PRO HG2 H 1 1.593 0.020 . 2 . . . . 329 PRO HG2 . 7414 1
598 . 1 1 53 53 PRO HG3 H 1 1.209 0.020 . 2 . . . . 329 PRO HG3 . 7414 1
599 . 1 1 53 53 PRO C C 13 171.395 0.3 . 1 . . . . 329 PRO C . 7414 1
600 . 1 1 53 53 PRO CA C 13 59.157 0.3 . 1 . . . . 329 PRO CA . 7414 1
601 . 1 1 53 53 PRO CB C 13 28.600 0.3 . 1 . . . . 329 PRO CB . 7414 1
602 . 1 1 53 53 PRO CD C 13 46.228 0.3 . 1 . . . . 329 PRO CD . 7414 1
603 . 1 1 53 53 PRO CG C 13 23.257 0.3 . 1 . . . . 329 PRO CG . 7414 1
604 . 1 1 54 54 SER H H 1 7.363 0.020 . 1 . . . . 330 SER H . 7414 1
605 . 1 1 54 54 SER HA H 1 4.289 0.020 . 1 . . . . 330 SER HA . 7414 1
606 . 1 1 54 54 SER HB2 H 1 3.629 0.020 . 2 . . . . 330 SER HB2 . 7414 1
607 . 1 1 54 54 SER HB3 H 1 3.583 0.020 . 2 . . . . 330 SER HB3 . 7414 1
608 . 1 1 54 54 SER C C 13 171.885 0.3 . 1 . . . . 330 SER C . 7414 1
609 . 1 1 54 54 SER CA C 13 54.093 0.3 . 1 . . . . 330 SER CA . 7414 1
610 . 1 1 54 54 SER CB C 13 61.222 0.3 . 1 . . . . 330 SER CB . 7414 1
611 . 1 1 54 54 SER N N 15 107.805 0.3 . 1 . . . . 330 SER N . 7414 1
612 . 1 1 55 55 GLY H H 1 7.657 0.020 . 1 . . . . 331 GLY H . 7414 1
613 . 1 1 55 55 GLY HA2 H 1 3.904 0.020 . 2 . . . . 331 GLY HA2 . 7414 1
614 . 1 1 55 55 GLY HA3 H 1 3.588 0.020 . 2 . . . . 331 GLY HA3 . 7414 1
615 . 1 1 55 55 GLY C C 13 172.331 0.3 . 1 . . . . 331 GLY C . 7414 1
616 . 1 1 55 55 GLY CA C 13 44.807 0.3 . 1 . . . . 331 GLY CA . 7414 1
617 . 1 1 55 55 GLY N N 15 109.331 0.3 . 1 . . . . 331 GLY N . 7414 1
618 . 1 1 56 56 ILE H H 1 8.125 0.020 . 1 . . . . 332 ILE H . 7414 1
619 . 1 1 56 56 ILE HA H 1 3.520 0.020 . 1 . . . . 332 ILE HA . 7414 1
620 . 1 1 56 56 ILE HB H 1 1.348 0.020 . 1 . . . . 332 ILE HB . 7414 1
621 . 1 1 56 56 ILE HD11 H 1 0.108 0.020 . 1 . . . . 332 ILE HD1 . 7414 1
622 . 1 1 56 56 ILE HD12 H 1 0.108 0.020 . 1 . . . . 332 ILE HD1 . 7414 1
623 . 1 1 56 56 ILE HD13 H 1 0.108 0.020 . 1 . . . . 332 ILE HD1 . 7414 1
624 . 1 1 56 56 ILE HG12 H 1 0.988 0.020 . 2 . . . . 332 ILE HG12 . 7414 1
625 . 1 1 56 56 ILE HG13 H 1 0.823 0.020 . 2 . . . . 332 ILE HG13 . 7414 1
626 . 1 1 56 56 ILE HG21 H 1 0.381 0.020 . 1 . . . . 332 ILE HG2 . 7414 1
627 . 1 1 56 56 ILE HG22 H 1 0.381 0.020 . 1 . . . . 332 ILE HG2 . 7414 1
628 . 1 1 56 56 ILE HG23 H 1 0.381 0.020 . 1 . . . . 332 ILE HG2 . 7414 1
629 . 1 1 56 56 ILE C C 13 172.132 0.3 . 1 . . . . 332 ILE C . 7414 1
630 . 1 1 56 56 ILE CA C 13 57.276 0.3 . 1 . . . . 332 ILE CA . 7414 1
631 . 1 1 56 56 ILE CB C 13 34.189 0.3 . 1 . . . . 332 ILE CB . 7414 1
632 . 1 1 56 56 ILE CD1 C 13 7.222 0.3 . 1 . . . . 332 ILE CD1 . 7414 1
633 . 1 1 56 56 ILE CG1 C 13 23.698 0.3 . 1 . . . . 332 ILE CG1 . 7414 1
634 . 1 1 56 56 ILE CG2 C 13 14.923 0.3 . 1 . . . . 332 ILE CG2 . 7414 1
635 . 1 1 56 56 ILE N N 15 122.086 0.3 . 1 . . . . 332 ILE N . 7414 1
636 . 1 1 57 57 GLU H H 1 8.511 0.020 . 1 . . . . 333 GLU H . 7414 1
637 . 1 1 57 57 GLU HA H 1 4.267 0.020 . 1 . . . . 333 GLU HA . 7414 1
638 . 1 1 57 57 GLU HB2 H 1 1.916 0.020 . 2 . . . . 333 GLU HB2 . 7414 1
639 . 1 1 57 57 GLU HB3 H 1 2.528 0.020 . 2 . . . . 333 GLU HB3 . 7414 1
640 . 1 1 57 57 GLU HG2 H 1 2.694 0.020 . 2 . . . . 333 GLU HG2 . 7414 1
641 . 1 1 57 57 GLU HG3 H 1 2.313 0.020 . 2 . . . . 333 GLU HG3 . 7414 1
642 . 1 1 57 57 GLU C C 13 173.732 0.3 . 1 . . . . 333 GLU C . 7414 1
643 . 1 1 57 57 GLU CA C 13 54.579 0.3 . 1 . . . . 333 GLU CA . 7414 1
644 . 1 1 57 57 GLU CB C 13 29.072 0.3 . 1 . . . . 333 GLU CB . 7414 1
645 . 1 1 57 57 GLU CG C 13 35.193 0.3 . 1 . . . . 333 GLU CG . 7414 1
646 . 1 1 57 57 GLU N N 15 123.125 0.3 . 1 . . . . 333 GLU N . 7414 1
647 . 1 1 58 58 ALA H H 1 7.638 0.020 . 1 . . . . 334 ALA H . 7414 1
648 . 1 1 58 58 ALA HA H 1 5.116 0.020 . 1 . . . . 334 ALA HA . 7414 1
649 . 1 1 58 58 ALA HB1 H 1 0.989 0.020 . 1 . . . . 334 ALA HB . 7414 1
650 . 1 1 58 58 ALA HB2 H 1 0.989 0.020 . 1 . . . . 334 ALA HB . 7414 1
651 . 1 1 58 58 ALA HB3 H 1 0.989 0.020 . 1 . . . . 334 ALA HB . 7414 1
652 . 1 1 58 58 ALA C C 13 172.800 0.3 . 1 . . . . 334 ALA C . 7414 1
653 . 1 1 58 58 ALA CA C 13 48.726 0.3 . 1 . . . . 334 ALA CA . 7414 1
654 . 1 1 58 58 ALA CB C 13 18.627 0.3 . 1 . . . . 334 ALA CB . 7414 1
655 . 1 1 58 58 ALA N N 15 117.133 0.3 . 1 . . . . 334 ALA N . 7414 1
656 . 1 1 59 59 ALA H H 1 8.816 0.020 . 1 . . . . 335 ALA H . 7414 1
657 . 1 1 59 59 ALA HA H 1 5.852 0.020 . 1 . . . . 335 ALA HA . 7414 1
658 . 1 1 59 59 ALA HB1 H 1 1.045 0.020 . 1 . . . . 335 ALA HB . 7414 1
659 . 1 1 59 59 ALA HB2 H 1 1.045 0.020 . 1 . . . . 335 ALA HB . 7414 1
660 . 1 1 59 59 ALA HB3 H 1 1.045 0.020 . 1 . . . . 335 ALA HB . 7414 1
661 . 1 1 59 59 ALA C C 13 171.611 0.3 . 1 . . . . 335 ALA C . 7414 1
662 . 1 1 59 59 ALA CA C 13 48.537 0.3 . 1 . . . . 335 ALA CA . 7414 1
663 . 1 1 59 59 ALA CB C 13 20.162 0.3 . 1 . . . . 335 ALA CB . 7414 1
664 . 1 1 59 59 ALA N N 15 123.708 0.3 . 1 . . . . 335 ALA N . 7414 1
665 . 1 1 60 60 TYR H H 1 9.291 0.020 . 1 . . . . 336 TYR H . 7414 1
666 . 1 1 60 60 TYR HA H 1 5.224 0.020 . 1 . . . . 336 TYR HA . 7414 1
667 . 1 1 60 60 TYR HB2 H 1 3.531 0.020 . 2 . . . . 336 TYR HB2 . 7414 1
668 . 1 1 60 60 TYR HB3 H 1 2.533 0.020 . 2 . . . . 336 TYR HB3 . 7414 1
669 . 1 1 60 60 TYR HD1 H 1 6.766 0.020 . 1 . . . . 336 TYR HD1 . 7414 1
670 . 1 1 60 60 TYR HE1 H 1 6.877 0.020 . 1 . . . . 336 TYR HE1 . 7414 1
671 . 1 1 60 60 TYR C C 13 168.463 0.3 . 1 . . . . 336 TYR C . 7414 1
672 . 1 1 60 60 TYR CA C 13 53.697 0.3 . 1 . . . . 336 TYR CA . 7414 1
673 . 1 1 60 60 TYR CB C 13 36.679 0.3 . 1 . . . . 336 TYR CB . 7414 1
674 . 1 1 60 60 TYR N N 15 119.362 0.3 . 1 . . . . 336 TYR N . 7414 1
675 . 1 1 61 61 GLU H H 1 9.041 0.020 . 1 . . . . 337 GLU H . 7414 1
676 . 1 1 61 61 GLU HA H 1 5.389 0.020 . 1 . . . . 337 GLU HA . 7414 1
677 . 1 1 61 61 GLU HB2 H 1 2.147 0.020 . 1 . . . . 337 GLU HB2 . 7414 1
678 . 1 1 61 61 GLU HG2 H 1 2.208 0.020 . 1 . . . . 337 GLU HG2 . 7414 1
679 . 1 1 61 61 GLU C C 13 171.934 0.3 . 1 . . . . 337 GLU C . 7414 1
680 . 1 1 61 61 GLU CA C 13 50.570 0.3 . 1 . . . . 337 GLU CA . 7414 1
681 . 1 1 61 61 GLU CB C 13 29.685 0.3 . 1 . . . . 337 GLU CB . 7414 1
682 . 1 1 61 61 GLU CG C 13 31.890 0.3 . 1 . . . . 337 GLU CG . 7414 1
683 . 1 1 61 61 GLU N N 15 118.434 0.3 . 1 . . . . 337 GLU N . 7414 1
684 . 1 1 62 62 ILE H H 1 7.885 0.020 . 1 . . . . 338 ILE H . 7414 1
685 . 1 1 62 62 ILE HA H 1 3.794 0.020 . 1 . . . . 338 ILE HA . 7414 1
686 . 1 1 62 62 ILE HB H 1 1.535 0.020 . 1 . . . . 338 ILE HB . 7414 1
687 . 1 1 62 62 ILE HD11 H 1 0.437 0.020 . 1 . . . . 338 ILE HD1 . 7414 1
688 . 1 1 62 62 ILE HD12 H 1 0.437 0.020 . 1 . . . . 338 ILE HD1 . 7414 1
689 . 1 1 62 62 ILE HD13 H 1 0.437 0.020 . 1 . . . . 338 ILE HD1 . 7414 1
690 . 1 1 62 62 ILE HG12 H 1 -0.627 0.020 . 1 . . . . 338 ILE HG12 . 7414 1
691 . 1 1 62 62 ILE HG21 H 1 0.273 0.020 . 1 . . . . 338 ILE HG2 . 7414 1
692 . 1 1 62 62 ILE HG22 H 1 0.273 0.020 . 1 . . . . 338 ILE HG2 . 7414 1
693 . 1 1 62 62 ILE HG23 H 1 0.273 0.020 . 1 . . . . 338 ILE HG2 . 7414 1
694 . 1 1 62 62 ILE C C 13 174.602 0.3 . 1 . . . . 338 ILE C . 7414 1
695 . 1 1 62 62 ILE CA C 13 58.272 0.3 . 1 . . . . 338 ILE CA . 7414 1
696 . 1 1 62 62 ILE CB C 13 35.548 0.3 . 1 . . . . 338 ILE CB . 7414 1
697 . 1 1 62 62 ILE CD1 C 13 9.913 0.3 . 1 . . . . 338 ILE CD1 . 7414 1
698 . 1 1 62 62 ILE CG1 C 13 22.344 0.3 . 1 . . . . 338 ILE CG1 . 7414 1
699 . 1 1 62 62 ILE CG2 C 13 13.426 0.3 . 1 . . . . 338 ILE CG2 . 7414 1
700 . 1 1 62 62 ILE N N 15 118.091 0.3 . 1 . . . . 338 ILE N . 7414 1
701 . 1 1 63 63 GLU H H 1 9.366 0.020 . 1 . . . . 339 GLU H . 7414 1
702 . 1 1 63 63 GLU HA H 1 4.125 0.020 . 1 . . . . 339 GLU HA . 7414 1
703 . 1 1 63 63 GLU HB2 H 1 2.087 0.020 . 2 . . . . 339 GLU HB2 . 7414 1
704 . 1 1 63 63 GLU HB3 H 1 2.034 0.020 . 2 . . . . 339 GLU HB3 . 7414 1
705 . 1 1 63 63 GLU HG2 H 1 2.365 0.020 . 2 . . . . 339 GLU HG2 . 7414 1
706 . 1 1 63 63 GLU HG3 H 1 2.160 0.020 . 2 . . . . 339 GLU HG3 . 7414 1
707 . 1 1 63 63 GLU C C 13 177.935 0.3 . 1 . . . . 339 GLU C . 7414 1
708 . 1 1 63 63 GLU CA C 13 57.202 0.3 . 1 . . . . 339 GLU CA . 7414 1
709 . 1 1 63 63 GLU CB C 13 25.620 0.3 . 1 . . . . 339 GLU CB . 7414 1
710 . 1 1 63 63 GLU CG C 13 32.808 0.3 . 1 . . . . 339 GLU CG . 7414 1
711 . 1 1 63 63 GLU N N 15 132.330 0.3 . 1 . . . . 339 GLU N . 7414 1
712 . 1 1 64 64 ALA H H 1 8.783 0.020 . 1 . . . . 340 ALA H . 7414 1
713 . 1 1 64 64 ALA HA H 1 4.070 0.020 . 1 . . . . 340 ALA HA . 7414 1
714 . 1 1 64 64 ALA HB1 H 1 1.422 0.020 . 1 . . . . 340 ALA HB . 7414 1
715 . 1 1 64 64 ALA HB2 H 1 1.422 0.020 . 1 . . . . 340 ALA HB . 7414 1
716 . 1 1 64 64 ALA HB3 H 1 1.422 0.020 . 1 . . . . 340 ALA HB . 7414 1
717 . 1 1 64 64 ALA C C 13 175.743 0.3 . 1 . . . . 340 ALA C . 7414 1
718 . 1 1 64 64 ALA CA C 13 51.234 0.3 . 1 . . . . 340 ALA CA . 7414 1
719 . 1 1 64 64 ALA CB C 13 15.689 0.3 . 1 . . . . 340 ALA CB . 7414 1
720 . 1 1 64 64 ALA N N 15 119.775 0.3 . 1 . . . . 340 ALA N . 7414 1
721 . 1 1 65 65 ARG H H 1 7.055 0.020 . 1 . . . . 341 ARG H . 7414 1
722 . 1 1 65 65 ARG HA H 1 4.399 0.020 . 1 . . . . 341 ARG HA . 7414 1
723 . 1 1 65 65 ARG HB2 H 1 1.923 0.020 . 2 . . . . 341 ARG HB2 . 7414 1
724 . 1 1 65 65 ARG HB3 H 1 1.182 0.020 . 2 . . . . 341 ARG HB3 . 7414 1
725 . 1 1 65 65 ARG HD2 H 1 2.955 0.020 . 1 . . . . 341 ARG HD2 . 7414 1
726 . 1 1 65 65 ARG HG2 H 1 1.433 0.020 . 2 . . . . 341 ARG HG2 . 7414 1
727 . 1 1 65 65 ARG HG3 H 1 1.374 0.020 . 2 . . . . 341 ARG HG3 . 7414 1
728 . 1 1 65 65 ARG C C 13 172.301 0.3 . 1 . . . . 341 ARG C . 7414 1
729 . 1 1 65 65 ARG CA C 13 51.552 0.3 . 1 . . . . 341 ARG CA . 7414 1
730 . 1 1 65 65 ARG CB C 13 27.913 0.3 . 1 . . . . 341 ARG CB . 7414 1
731 . 1 1 65 65 ARG CD C 13 40.373 0.3 . 1 . . . . 341 ARG CD . 7414 1
732 . 1 1 65 65 ARG CG C 13 24.585 0.3 . 1 . . . . 341 ARG CG . 7414 1
733 . 1 1 65 65 ARG N N 15 112.345 0.3 . 1 . . . . 341 ARG N . 7414 1
734 . 1 1 66 66 ASN H H 1 8.279 0.020 . 1 . . . . 342 ASN H . 7414 1
735 . 1 1 66 66 ASN HA H 1 4.275 0.020 . 1 . . . . 342 ASN HA . 7414 1
736 . 1 1 66 66 ASN HB2 H 1 2.968 0.020 . 2 . . . . 342 ASN HB2 . 7414 1
737 . 1 1 66 66 ASN HB3 H 1 2.696 0.020 . 2 . . . . 342 ASN HB3 . 7414 1
738 . 1 1 66 66 ASN HD21 H 1 7.484 0.020 . 1 . . . . 342 ASN HD21 . 7414 1
739 . 1 1 66 66 ASN HD22 H 1 6.705 0.020 . 1 . . . . 342 ASN HD22 . 7414 1
740 . 1 1 66 66 ASN C C 13 171.334 0.3 . 1 . . . . 342 ASN C . 7414 1
741 . 1 1 66 66 ASN CA C 13 50.914 0.3 . 1 . . . . 342 ASN CA . 7414 1
742 . 1 1 66 66 ASN CB C 13 34.153 0.3 . 1 . . . . 342 ASN CB . 7414 1
743 . 1 1 66 66 ASN N N 15 118.198 0.3 . 1 . . . . 342 ASN N . 7414 1
744 . 1 1 66 66 ASN ND2 N 15 112.066 0.3 . 1 . . . . 342 ASN ND2 . 7414 1
745 . 1 1 67 67 GLN H H 1 7.084 0.020 . 1 . . . . 343 GLN H . 7414 1
746 . 1 1 67 67 GLN HA H 1 4.867 0.020 . 1 . . . . 343 GLN HA . 7414 1
747 . 1 1 67 67 GLN HB2 H 1 1.653 0.020 . 2 . . . . 343 GLN HB2 . 7414 1
748 . 1 1 67 67 GLN HB3 H 1 1.596 0.020 . 2 . . . . 343 GLN HB3 . 7414 1
749 . 1 1 67 67 GLN HE21 H 1 7.200 0.020 . 1 . . . . 343 GLN HE21 . 7414 1
750 . 1 1 67 67 GLN HE22 H 1 6.382 0.020 . 1 . . . . 343 GLN HE22 . 7414 1
751 . 1 1 67 67 GLN HG2 H 1 2.916 0.020 . 1 . . . . 343 GLN HG2 . 7414 1
752 . 1 1 67 67 GLN C C 13 173.136 0.3 . 1 . . . . 343 GLN C . 7414 1
753 . 1 1 67 67 GLN CA C 13 51.279 0.3 . 1 . . . . 343 GLN CA . 7414 1
754 . 1 1 67 67 GLN CB C 13 29.302 0.3 . 1 . . . . 343 GLN CB . 7414 1
755 . 1 1 67 67 GLN CG C 13 38.907 0.3 . 1 . . . . 343 GLN CG . 7414 1
756 . 1 1 67 67 GLN N N 15 114.052 0.3 . 1 . . . . 343 GLN N . 7414 1
757 . 1 1 67 67 GLN NE2 N 15 107.222 0.3 . 1 . . . . 343 GLN NE2 . 7414 1
758 . 1 1 68 68 VAL H H 1 8.497 0.020 . 1 . . . . 344 VAL H . 7414 1
759 . 1 1 68 68 VAL HA H 1 4.338 0.020 . 1 . . . . 344 VAL HA . 7414 1
760 . 1 1 68 68 VAL HB H 1 1.305 0.020 . 1 . . . . 344 VAL HB . 7414 1
761 . 1 1 68 68 VAL HG11 H 1 0.682 0.020 . 1 . . . . 344 VAL HG1 . 7414 1
762 . 1 1 68 68 VAL HG12 H 1 0.682 0.020 . 1 . . . . 344 VAL HG1 . 7414 1
763 . 1 1 68 68 VAL HG13 H 1 0.682 0.020 . 1 . . . . 344 VAL HG1 . 7414 1
764 . 1 1 68 68 VAL HG21 H 1 0.434 0.020 . 1 . . . . 344 VAL HG2 . 7414 1
765 . 1 1 68 68 VAL HG22 H 1 0.434 0.020 . 1 . . . . 344 VAL HG2 . 7414 1
766 . 1 1 68 68 VAL HG23 H 1 0.434 0.020 . 1 . . . . 344 VAL HG2 . 7414 1
767 . 1 1 68 68 VAL C C 13 169.067 0.3 . 1 . . . . 344 VAL C . 7414 1
768 . 1 1 68 68 VAL CA C 13 58.056 0.3 . 1 . . . . 344 VAL CA . 7414 1
769 . 1 1 68 68 VAL CB C 13 32.520 0.3 . 1 . . . . 344 VAL CB . 7414 1
770 . 1 1 68 68 VAL CG1 C 13 20.615 0.3 . 1 . . . . 344 VAL CG1 . 7414 1
771 . 1 1 68 68 VAL CG2 C 13 17.802 0.3 . 1 . . . . 344 VAL CG2 . 7414 1
772 . 1 1 68 68 VAL N N 15 122.975 0.3 . 1 . . . . 344 VAL N . 7414 1
773 . 1 1 69 69 PHE H H 1 9.113 0.020 . 1 . . . . 345 PHE H . 7414 1
774 . 1 1 69 69 PHE HA H 1 4.951 0.020 . 1 . . . . 345 PHE HA . 7414 1
775 . 1 1 69 69 PHE HB2 H 1 2.247 0.020 . 2 . . . . 345 PHE HB2 . 7414 1
776 . 1 1 69 69 PHE HB3 H 1 2.199 0.020 . 2 . . . . 345 PHE HB3 . 7414 1
777 . 1 1 69 69 PHE HD1 H 1 6.326 0.020 . 1 . . . . 345 PHE HD1 . 7414 1
778 . 1 1 69 69 PHE C C 13 171.866 0.3 . 1 . . . . 345 PHE C . 7414 1
779 . 1 1 69 69 PHE CA C 13 52.954 0.3 . 1 . . . . 345 PHE CA . 7414 1
780 . 1 1 69 69 PHE CB C 13 39.400 0.3 . 1 . . . . 345 PHE CB . 7414 1
781 . 1 1 69 69 PHE N N 15 125.553 0.3 . 1 . . . . 345 PHE N . 7414 1
782 . 1 1 70 70 LEU H H 1 8.147 0.020 . 1 . . . . 346 LEU H . 7414 1
783 . 1 1 70 70 LEU HA H 1 5.057 0.020 . 1 . . . . 346 LEU HA . 7414 1
784 . 1 1 70 70 LEU HB2 H 1 1.319 0.020 . 2 . . . . 346 LEU HB2 . 7414 1
785 . 1 1 70 70 LEU HB3 H 1 1.098 0.020 . 2 . . . . 346 LEU HB3 . 7414 1
786 . 1 1 70 70 LEU HD11 H 1 0.295 0.020 . 1 . . . . 346 LEU HD1 . 7414 1
787 . 1 1 70 70 LEU HD12 H 1 0.295 0.020 . 1 . . . . 346 LEU HD1 . 7414 1
788 . 1 1 70 70 LEU HD13 H 1 0.295 0.020 . 1 . . . . 346 LEU HD1 . 7414 1
789 . 1 1 70 70 LEU HG H 1 -0.115 0.020 . 1 . . . . 346 LEU HG . 7414 1
790 . 1 1 70 70 LEU C C 13 172.892 0.3 . 1 . . . . 346 LEU C . 7414 1
791 . 1 1 70 70 LEU CA C 13 49.993 0.3 . 1 . . . . 346 LEU CA . 7414 1
792 . 1 1 70 70 LEU CB C 13 41.250 0.3 . 1 . . . . 346 LEU CB . 7414 1
793 . 1 1 70 70 LEU CD1 C 13 20.673 0.3 . 1 . . . . 346 LEU CD1 . 7414 1
794 . 1 1 70 70 LEU CD2 C 13 20.673 0.3 . 1 . . . . 346 LEU CD2 . 7414 1
795 . 1 1 70 70 LEU CG C 13 23.061 0.3 . 1 . . . . 346 LEU CG . 7414 1
796 . 1 1 70 70 LEU N N 15 119.330 0.3 . 1 . . . . 346 LEU N . 7414 1
797 . 1 1 71 71 PHE H H 1 8.237 0.020 . 1 . . . . 347 PHE H . 7414 1
798 . 1 1 71 71 PHE HA H 1 5.147 0.020 . 1 . . . . 347 PHE HA . 7414 1
799 . 1 1 71 71 PHE HB2 H 1 2.749 0.020 . 1 . . . . 347 PHE HB2 . 7414 1
800 . 1 1 71 71 PHE HD2 H 1 6.986 0.020 . 1 . . . . 347 PHE HD2 . 7414 1
801 . 1 1 71 71 PHE C C 13 172.398 0.3 . 1 . . . . 347 PHE C . 7414 1
802 . 1 1 71 71 PHE CA C 13 54.852 0.3 . 1 . . . . 347 PHE CA . 7414 1
803 . 1 1 71 71 PHE CB C 13 39.183 0.3 . 1 . . . . 347 PHE CB . 7414 1
804 . 1 1 71 71 PHE N N 15 119.845 0.3 . 1 . . . . 347 PHE N . 7414 1
805 . 1 1 72 72 LYS H H 1 8.883 0.020 . 1 . . . . 348 LYS H . 7414 1
806 . 1 1 72 72 LYS HA H 1 4.395 0.020 . 1 . . . . 348 LYS HA . 7414 1
807 . 1 1 72 72 LYS HB2 H 1 1.768 0.020 . 1 . . . . 348 LYS HB2 . 7414 1
808 . 1 1 72 72 LYS HD2 H 1 1.442 0.020 . 1 . . . . 348 LYS HD2 . 7414 1
809 . 1 1 72 72 LYS HE2 H 1 3.409 0.020 . 1 . . . . 348 LYS HE2 . 7414 1
810 . 1 1 72 72 LYS HG2 H 1 1.432 0.020 . 1 . . . . 348 LYS HG2 . 7414 1
811 . 1 1 72 72 LYS C C 13 173.145 0.3 . 1 . . . . 348 LYS C . 7414 1
812 . 1 1 72 72 LYS CA C 13 55.131 0.3 . 1 . . . . 348 LYS CA . 7414 1
813 . 1 1 72 72 LYS CB C 13 32.752 0.3 . 1 . . . . 348 LYS CB . 7414 1
814 . 1 1 72 72 LYS CD C 13 26.755 0.3 . 1 . . . . 348 LYS CD . 7414 1
815 . 1 1 72 72 LYS CE C 13 39.024 0.3 . 1 . . . . 348 LYS CE . 7414 1
816 . 1 1 72 72 LYS CG C 13 21.986 0.3 . 1 . . . . 348 LYS CG . 7414 1
817 . 1 1 72 72 LYS N N 15 120.226 0.3 . 1 . . . . 348 LYS N . 7414 1
818 . 1 1 73 73 ASP H H 1 10.171 0.020 . 1 . . . . 349 ASP H . 7414 1
819 . 1 1 73 73 ASP HA H 1 4.289 0.020 . 1 . . . . 349 ASP HA . 7414 1
820 . 1 1 73 73 ASP HB2 H 1 3.023 0.020 . 2 . . . . 349 ASP HB2 . 7414 1
821 . 1 1 73 73 ASP HB3 H 1 2.917 0.020 . 2 . . . . 349 ASP HB3 . 7414 1
822 . 1 1 73 73 ASP C C 13 171.365 0.3 . 1 . . . . 349 ASP C . 7414 1
823 . 1 1 73 73 ASP CA C 13 53.562 0.3 . 1 . . . . 349 ASP CA . 7414 1
824 . 1 1 73 73 ASP CB C 13 36.693 0.3 . 1 . . . . 349 ASP CB . 7414 1
825 . 1 1 73 73 ASP N N 15 129.292 0.3 . 1 . . . . 349 ASP N . 7414 1
826 . 1 1 74 74 ASP H H 1 8.381 0.020 . 1 . . . . 350 ASP H . 7414 1
827 . 1 1 74 74 ASP HA H 1 4.306 0.020 . 1 . . . . 350 ASP HA . 7414 1
828 . 1 1 74 74 ASP HB2 H 1 2.908 0.020 . 2 . . . . 350 ASP HB2 . 7414 1
829 . 1 1 74 74 ASP HB3 H 1 2.474 0.020 . 2 . . . . 350 ASP HB3 . 7414 1
830 . 1 1 74 74 ASP C C 13 173.264 0.3 . 1 . . . . 350 ASP C . 7414 1
831 . 1 1 74 74 ASP CA C 13 49.807 0.3 . 1 . . . . 350 ASP CA . 7414 1
832 . 1 1 74 74 ASP CB C 13 35.100 0.3 . 1 . . . . 350 ASP CB . 7414 1
833 . 1 1 74 74 ASP N N 15 118.818 0.3 . 1 . . . . 350 ASP N . 7414 1
834 . 1 1 75 75 LYS H H 1 8.166 0.020 . 1 . . . . 351 LYS H . 7414 1
835 . 1 1 75 75 LYS HA H 1 5.114 0.020 . 1 . . . . 351 LYS HA . 7414 1
836 . 1 1 75 75 LYS HB2 H 1 1.759 0.020 . 2 . . . . 351 LYS HB2 . 7414 1
837 . 1 1 75 75 LYS HB3 H 1 0.915 0.020 . 2 . . . . 351 LYS HB3 . 7414 1
838 . 1 1 75 75 LYS HD2 H 1 1.181 0.020 . 1 . . . . 351 LYS HD2 . 7414 1
839 . 1 1 75 75 LYS HE2 H 1 2.803 0.020 . 1 . . . . 351 LYS HE2 . 7414 1
840 . 1 1 75 75 LYS HG2 H 1 1.212 0.020 . 2 . . . . 351 LYS HG2 . 7414 1
841 . 1 1 75 75 LYS HG3 H 1 1.151 0.020 . 2 . . . . 351 LYS HG3 . 7414 1
842 . 1 1 75 75 LYS C C 13 171.002 0.3 . 1 . . . . 351 LYS C . 7414 1
843 . 1 1 75 75 LYS CA C 13 51.156 0.3 . 1 . . . . 351 LYS CA . 7414 1
844 . 1 1 75 75 LYS CB C 13 33.652 0.3 . 1 . . . . 351 LYS CB . 7414 1
845 . 1 1 75 75 LYS CD C 13 25.303 0.3 . 1 . . . . 351 LYS CD . 7414 1
846 . 1 1 75 75 LYS CE C 13 39.317 0.3 . 1 . . . . 351 LYS CE . 7414 1
847 . 1 1 75 75 LYS CG C 13 21.229 0.3 . 1 . . . . 351 LYS CG . 7414 1
848 . 1 1 75 75 LYS N N 15 122.499 0.3 . 1 . . . . 351 LYS N . 7414 1
849 . 1 1 76 76 TYR H H 1 8.392 0.020 . 1 . . . . 352 TYR H . 7414 1
850 . 1 1 76 76 TYR HA H 1 5.392 0.020 . 1 . . . . 352 TYR HA . 7414 1
851 . 1 1 76 76 TYR HB2 H 1 2.142 0.020 . 2 . . . . 352 TYR HB2 . 7414 1
852 . 1 1 76 76 TYR HB3 H 1 1.704 0.020 . 2 . . . . 352 TYR HB3 . 7414 1
853 . 1 1 76 76 TYR HD1 H 1 6.545 0.020 . 3 . . . . 352 TYR HD1 . 7414 1
854 . 1 1 76 76 TYR HD2 H 1 6.494 0.020 . 3 . . . . 352 TYR HD2 . 7414 1
855 . 1 1 76 76 TYR HE1 H 1 6.821 0.020 . 3 . . . . 352 TYR HE1 . 7414 1
856 . 1 1 76 76 TYR HE2 H 1 6.324 0.020 . 3 . . . . 352 TYR HE2 . 7414 1
857 . 1 1 76 76 TYR C C 13 169.532 0.3 . 1 . . . . 352 TYR C . 7414 1
858 . 1 1 76 76 TYR CA C 13 52.446 0.3 . 1 . . . . 352 TYR CA . 7414 1
859 . 1 1 76 76 TYR CB C 13 39.050 0.3 . 1 . . . . 352 TYR CB . 7414 1
860 . 1 1 76 76 TYR N N 15 114.079 0.3 . 1 . . . . 352 TYR N . 7414 1
861 . 1 1 77 77 TRP H H 1 9.165 0.020 . 1 . . . . 353 TRP H . 7414 1
862 . 1 1 77 77 TRP HA H 1 3.904 0.020 . 1 . . . . 353 TRP HA . 7414 1
863 . 1 1 77 77 TRP HB2 H 1 2.420 0.020 . 1 . . . . 353 TRP HB2 . 7414 1
864 . 1 1 77 77 TRP HE1 H 1 10.047 0.020 . 1 . . . . 353 TRP HE1 . 7414 1
865 . 1 1 77 77 TRP CA C 13 55.618 0.3 . 1 . . . . 353 TRP CA . 7414 1
866 . 1 1 77 77 TRP CB C 13 30.971 0.3 . 1 . . . . 353 TRP CB . 7414 1
867 . 1 1 77 77 TRP N N 15 120.069 0.3 . 1 . . . . 353 TRP N . 7414 1
868 . 1 1 77 77 TRP NE1 N 15 127.891 0.3 . 1 . . . . 353 TRP NE1 . 7414 1
869 . 1 1 78 78 LEU H H 1 8.410 0.020 . 1 . . . . 354 LEU H . 7414 1
870 . 1 1 78 78 LEU HA H 1 4.067 0.020 . 1 . . . . 354 LEU HA . 7414 1
871 . 1 1 78 78 LEU HB2 H 1 0.276 0.020 . 2 . . . . 354 LEU HB2 . 7414 1
872 . 1 1 78 78 LEU HB3 H 1 -0.001 0.020 . 2 . . . . 354 LEU HB3 . 7414 1
873 . 1 1 78 78 LEU HD11 H 1 0.463 0.020 . 1 . . . . 354 LEU HD1 . 7414 1
874 . 1 1 78 78 LEU HD12 H 1 0.463 0.020 . 1 . . . . 354 LEU HD1 . 7414 1
875 . 1 1 78 78 LEU HD13 H 1 0.463 0.020 . 1 . . . . 354 LEU HD1 . 7414 1
876 . 1 1 78 78 LEU HD21 H 1 -0.211 0.020 . 1 . . . . 354 LEU HD2 . 7414 1
877 . 1 1 78 78 LEU HD22 H 1 -0.211 0.020 . 1 . . . . 354 LEU HD2 . 7414 1
878 . 1 1 78 78 LEU HD23 H 1 -0.211 0.020 . 1 . . . . 354 LEU HD2 . 7414 1
879 . 1 1 78 78 LEU HG H 1 0.543 0.020 . 1 . . . . 354 LEU HG . 7414 1
880 . 1 1 78 78 LEU C C 13 170.903 0.3 . 1 . . . . 354 LEU C . 7414 1
881 . 1 1 78 78 LEU CA C 13 49.726 0.3 . 1 . . . . 354 LEU CA . 7414 1
882 . 1 1 78 78 LEU CB C 13 40.111 0.3 . 1 . . . . 354 LEU CB . 7414 1
883 . 1 1 78 78 LEU CD1 C 13 22.360 0.3 . 1 . . . . 354 LEU CD1 . 7414 1
884 . 1 1 78 78 LEU CD2 C 13 18.830 0.3 . 1 . . . . 354 LEU CD2 . 7414 1
885 . 1 1 78 78 LEU CG C 13 23.772 0.3 . 1 . . . . 354 LEU CG . 7414 1
886 . 1 1 78 78 LEU N N 15 125.359 0.3 . 1 . . . . 354 LEU N . 7414 1
887 . 1 1 79 79 ILE H H 1 8.947 0.020 . 1 . . . . 355 ILE H . 7414 1
888 . 1 1 79 79 ILE HA H 1 3.847 0.020 . 1 . . . . 355 ILE HA . 7414 1
889 . 1 1 79 79 ILE HB H 1 1.322 0.020 . 1 . . . . 355 ILE HB . 7414 1
890 . 1 1 79 79 ILE HD11 H 1 -0.662 0.020 . 1 . . . . 355 ILE HD1 . 7414 1
891 . 1 1 79 79 ILE HD12 H 1 -0.662 0.020 . 1 . . . . 355 ILE HD1 . 7414 1
892 . 1 1 79 79 ILE HD13 H 1 -0.662 0.020 . 1 . . . . 355 ILE HD1 . 7414 1
893 . 1 1 79 79 ILE HG12 H 1 0.162 0.020 . 1 . . . . 355 ILE HG12 . 7414 1
894 . 1 1 79 79 ILE HG21 H 1 0.110 0.020 . 1 . . . . 355 ILE HG2 . 7414 1
895 . 1 1 79 79 ILE HG22 H 1 0.110 0.020 . 1 . . . . 355 ILE HG2 . 7414 1
896 . 1 1 79 79 ILE HG23 H 1 0.110 0.020 . 1 . . . . 355 ILE HG2 . 7414 1
897 . 1 1 79 79 ILE C C 13 172.135 0.3 . 1 . . . . 355 ILE C . 7414 1
898 . 1 1 79 79 ILE CA C 13 55.490 0.3 . 1 . . . . 355 ILE CA . 7414 1
899 . 1 1 79 79 ILE CB C 13 34.465 0.3 . 1 . . . . 355 ILE CB . 7414 1
900 . 1 1 79 79 ILE CD1 C 13 7.188 0.3 . 1 . . . . 355 ILE CD1 . 7414 1
901 . 1 1 79 79 ILE CG1 C 13 23.373 0.3 . 1 . . . . 355 ILE CG1 . 7414 1
902 . 1 1 79 79 ILE CG2 C 13 13.766 0.3 . 1 . . . . 355 ILE CG2 . 7414 1
903 . 1 1 79 79 ILE N N 15 129.196 0.3 . 1 . . . . 355 ILE N . 7414 1
904 . 1 1 80 80 SER H H 1 8.348 0.020 . 1 . . . . 356 SER H . 7414 1
905 . 1 1 80 80 SER HA H 1 5.115 0.020 . 1 . . . . 356 SER HA . 7414 1
906 . 1 1 80 80 SER HB2 H 1 3.628 0.020 . 2 . . . . 356 SER HB2 . 7414 1
907 . 1 1 80 80 SER HB3 H 1 3.449 0.020 . 2 . . . . 356 SER HB3 . 7414 1
908 . 1 1 80 80 SER C C 13 172.667 0.3 . 1 . . . . 356 SER C . 7414 1
909 . 1 1 80 80 SER CA C 13 52.801 0.3 . 1 . . . . 356 SER CA . 7414 1
910 . 1 1 80 80 SER CB C 13 60.937 0.3 . 1 . . . . 356 SER CB . 7414 1
911 . 1 1 80 80 SER N N 15 122.389 0.3 . 1 . . . . 356 SER N . 7414 1
912 . 1 1 81 81 ASN H H 1 8.965 0.020 . 1 . . . . 357 ASN H . 7414 1
913 . 1 1 81 81 ASN HA H 1 4.166 0.020 . 1 . . . . 357 ASN HA . 7414 1
914 . 1 1 81 81 ASN HB2 H 1 2.969 0.020 . 2 . . . . 357 ASN HB2 . 7414 1
915 . 1 1 81 81 ASN HB3 H 1 2.547 0.020 . 2 . . . . 357 ASN HB3 . 7414 1
916 . 1 1 81 81 ASN HD21 H 1 7.508 0.020 . 1 . . . . 357 ASN HD21 . 7414 1
917 . 1 1 81 81 ASN HD22 H 1 6.771 0.020 . 1 . . . . 357 ASN HD22 . 7414 1
918 . 1 1 81 81 ASN C C 13 171.665 0.3 . 1 . . . . 357 ASN C . 7414 1
919 . 1 1 81 81 ASN CA C 13 52.050 0.3 . 1 . . . . 357 ASN CA . 7414 1
920 . 1 1 81 81 ASN CB C 13 34.474 0.3 . 1 . . . . 357 ASN CB . 7414 1
921 . 1 1 81 81 ASN N N 15 127.130 0.3 . 1 . . . . 357 ASN N . 7414 1
922 . 1 1 81 81 ASN ND2 N 15 113.217 0.3 . 1 . . . . 357 ASN ND2 . 7414 1
923 . 1 1 82 82 LEU H H 1 9.227 0.020 . 1 . . . . 358 LEU H . 7414 1
924 . 1 1 82 82 LEU HA H 1 3.444 0.020 . 1 . . . . 358 LEU HA . 7414 1
925 . 1 1 82 82 LEU HB2 H 1 1.981 0.020 . 2 . . . . 358 LEU HB2 . 7414 1
926 . 1 1 82 82 LEU HB3 H 1 1.758 0.020 . 2 . . . . 358 LEU HB3 . 7414 1
927 . 1 1 82 82 LEU HD11 H 1 0.786 0.020 . 1 . . . . 358 LEU HD1 . 7414 1
928 . 1 1 82 82 LEU HD12 H 1 0.786 0.020 . 1 . . . . 358 LEU HD1 . 7414 1
929 . 1 1 82 82 LEU HD13 H 1 0.786 0.020 . 1 . . . . 358 LEU HD1 . 7414 1
930 . 1 1 82 82 LEU HD21 H 1 0.740 0.020 . 1 . . . . 358 LEU HD2 . 7414 1
931 . 1 1 82 82 LEU HD22 H 1 0.740 0.020 . 1 . . . . 358 LEU HD2 . 7414 1
932 . 1 1 82 82 LEU HD23 H 1 0.740 0.020 . 1 . . . . 358 LEU HD2 . 7414 1
933 . 1 1 82 82 LEU HG H 1 1.534 0.020 . 1 . . . . 358 LEU HG . 7414 1
934 . 1 1 82 82 LEU C C 13 173.534 0.3 . 1 . . . . 358 LEU C . 7414 1
935 . 1 1 82 82 LEU CA C 13 54.134 0.3 . 1 . . . . 358 LEU CA . 7414 1
936 . 1 1 82 82 LEU CB C 13 37.124 0.3 . 1 . . . . 358 LEU CB . 7414 1
937 . 1 1 82 82 LEU CD1 C 13 21.574 0.3 . 1 . . . . 358 LEU CD1 . 7414 1
938 . 1 1 82 82 LEU CD2 C 13 19.917 0.3 . 1 . . . . 358 LEU CD2 . 7414 1
939 . 1 1 82 82 LEU CG C 13 24.645 0.3 . 1 . . . . 358 LEU CG . 7414 1
940 . 1 1 82 82 LEU N N 15 108.385 0.3 . 1 . . . . 358 LEU N . 7414 1
941 . 1 1 83 83 ARG H H 1 7.946 0.020 . 1 . . . . 359 ARG H . 7414 1
942 . 1 1 83 83 ARG HA H 1 5.061 0.020 . 1 . . . . 359 ARG HA . 7414 1
943 . 1 1 83 83 ARG HB2 H 1 1.802 0.020 . 2 . . . . 359 ARG HB2 . 7414 1
944 . 1 1 83 83 ARG HB3 H 1 1.702 0.020 . 2 . . . . 359 ARG HB3 . 7414 1
945 . 1 1 83 83 ARG HD2 H 1 1.654 0.020 . 2 . . . . 359 ARG HD2 . 7414 1
946 . 1 1 83 83 ARG HD3 H 1 1.544 0.020 . 2 . . . . 359 ARG HD3 . 7414 1
947 . 1 1 83 83 ARG HG2 H 1 3.187 0.020 . 2 . . . . 359 ARG HG2 . 7414 1
948 . 1 1 83 83 ARG HG3 H 1 3.133 0.020 . 2 . . . . 359 ARG HG3 . 7414 1
949 . 1 1 83 83 ARG CA C 13 49.784 0.3 . 1 . . . . 359 ARG CA . 7414 1
950 . 1 1 83 83 ARG CB C 13 28.505 0.3 . 1 . . . . 359 ARG CB . 7414 1
951 . 1 1 83 83 ARG CD C 13 23.472 0.3 . 1 . . . . 359 ARG CD . 7414 1
952 . 1 1 83 83 ARG CG C 13 40.334 0.3 . 1 . . . . 359 ARG CG . 7414 1
953 . 1 1 83 83 ARG N N 15 123.572 0.3 . 1 . . . . 359 ARG N . 7414 1
954 . 1 1 84 84 PRO HA H 1 4.190 0.020 . 1 . . . . 360 PRO HA . 7414 1
955 . 1 1 84 84 PRO HB2 H 1 1.814 0.020 . 2 . . . . 360 PRO HB2 . 7414 1
956 . 1 1 84 84 PRO HB3 H 1 1.699 0.020 . 2 . . . . 360 PRO HB3 . 7414 1
957 . 1 1 84 84 PRO HD2 H 1 3.799 0.020 . 2 . . . . 360 PRO HD2 . 7414 1
958 . 1 1 84 84 PRO HD3 H 1 3.685 0.020 . 2 . . . . 360 PRO HD3 . 7414 1
959 . 1 1 84 84 PRO HG2 H 1 2.060 0.020 . 2 . . . . 360 PRO HG2 . 7414 1
960 . 1 1 84 84 PRO HG3 H 1 1.267 0.020 . 2 . . . . 360 PRO HG3 . 7414 1
961 . 1 1 84 84 PRO C C 13 174.000 0.3 . 1 . . . . 360 PRO C . 7414 1
962 . 1 1 84 84 PRO CA C 13 60.132 0.3 . 1 . . . . 360 PRO CA . 7414 1
963 . 1 1 84 84 PRO CB C 13 28.148 0.3 . 1 . . . . 360 PRO CB . 7414 1
964 . 1 1 84 84 PRO CD C 13 48.229 0.3 . 1 . . . . 360 PRO CD . 7414 1
965 . 1 1 84 84 PRO CG C 13 24.342 0.3 . 1 . . . . 360 PRO CG . 7414 1
966 . 1 1 85 85 GLU H H 1 8.015 0.020 . 1 . . . . 361 GLU H . 7414 1
967 . 1 1 85 85 GLU HA H 1 4.509 0.020 . 1 . . . . 361 GLU HA . 7414 1
968 . 1 1 85 85 GLU HB2 H 1 2.087 0.020 . 2 . . . . 361 GLU HB2 . 7414 1
969 . 1 1 85 85 GLU HB3 H 1 1.593 0.020 . 2 . . . . 361 GLU HB3 . 7414 1
970 . 1 1 85 85 GLU HG2 H 1 2.045 0.020 . 2 . . . . 361 GLU HG2 . 7414 1
971 . 1 1 85 85 GLU HG3 H 1 1.923 0.020 . 2 . . . . 361 GLU HG3 . 7414 1
972 . 1 1 85 85 GLU CA C 13 51.720 0.3 . 1 . . . . 361 GLU CA . 7414 1
973 . 1 1 85 85 GLU CB C 13 26.772 0.3 . 1 . . . . 361 GLU CB . 7414 1
974 . 1 1 85 85 GLU CG C 13 33.044 0.3 . 1 . . . . 361 GLU CG . 7414 1
975 . 1 1 85 85 GLU N N 15 126.544 0.3 . 1 . . . . 361 GLU N . 7414 1
976 . 1 1 86 86 PRO HA H 1 4.452 0.020 . 1 . . . . 362 PRO HA . 7414 1
977 . 1 1 86 86 PRO HB2 H 1 2.214 0.020 . 2 . . . . 362 PRO HB2 . 7414 1
978 . 1 1 86 86 PRO HB3 H 1 1.796 0.020 . 2 . . . . 362 PRO HB3 . 7414 1
979 . 1 1 86 86 PRO HD2 H 1 3.072 0.020 . 2 . . . . 362 PRO HD2 . 7414 1
980 . 1 1 86 86 PRO HD3 H 1 2.816 0.020 . 2 . . . . 362 PRO HD3 . 7414 1
981 . 1 1 86 86 PRO HG2 H 1 1.945 0.020 . 2 . . . . 362 PRO HG2 . 7414 1
982 . 1 1 86 86 PRO HG3 H 1 1.495 0.020 . 2 . . . . 362 PRO HG3 . 7414 1
983 . 1 1 86 86 PRO C C 13 173.998 0.3 . 1 . . . . 362 PRO C . 7414 1
984 . 1 1 86 86 PRO CA C 13 59.776 0.3 . 1 . . . . 362 PRO CA . 7414 1
985 . 1 1 86 86 PRO CB C 13 28.763 0.3 . 1 . . . . 362 PRO CB . 7414 1
986 . 1 1 86 86 PRO CD C 13 46.951 0.3 . 1 . . . . 362 PRO CD . 7414 1
987 . 1 1 86 86 PRO CG C 13 23.980 0.3 . 1 . . . . 362 PRO CG . 7414 1
988 . 1 1 87 87 ASN H H 1 8.769 0.020 . 1 . . . . 363 ASN H . 7414 1
989 . 1 1 87 87 ASN HA H 1 4.117 0.020 . 1 . . . . 363 ASN HA . 7414 1
990 . 1 1 87 87 ASN HB2 H 1 2.749 0.020 . 2 . . . . 363 ASN HB2 . 7414 1
991 . 1 1 87 87 ASN HB3 H 1 2.584 0.020 . 2 . . . . 363 ASN HB3 . 7414 1
992 . 1 1 87 87 ASN HD21 H 1 7.309 0.020 . 1 . . . . 363 ASN HD21 . 7414 1
993 . 1 1 87 87 ASN HD22 H 1 6.823 0.020 . 1 . . . . 363 ASN HD22 . 7414 1
994 . 1 1 87 87 ASN C C 13 169.869 0.3 . 1 . . . . 363 ASN C . 7414 1
995 . 1 1 87 87 ASN CA C 13 51.359 0.3 . 1 . . . . 363 ASN CA . 7414 1
996 . 1 1 87 87 ASN CB C 13 33.230 0.3 . 1 . . . . 363 ASN CB . 7414 1
997 . 1 1 87 87 ASN N N 15 112.428 0.3 . 1 . . . . 363 ASN N . 7414 1
998 . 1 1 87 87 ASN ND2 N 15 113.438 0.3 . 1 . . . . 363 ASN ND2 . 7414 1
999 . 1 1 88 88 TYR H H 1 7.192 0.020 . 1 . . . . 364 TYR H . 7414 1
1000 . 1 1 88 88 TYR HA H 1 3.643 0.020 . 1 . . . . 364 TYR HA . 7414 1
1001 . 1 1 88 88 TYR HB2 H 1 2.694 0.020 . 2 . . . . 364 TYR HB2 . 7414 1
1002 . 1 1 88 88 TYR HB3 H 1 2.473 0.020 . 2 . . . . 364 TYR HB3 . 7414 1
1003 . 1 1 88 88 TYR HD1 H 1 6.821 0.020 . 1 . . . . 364 TYR HD1 . 7414 1
1004 . 1 1 88 88 TYR HE1 H 1 6.379 0.020 . 1 . . . . 364 TYR HE1 . 7414 1
1005 . 1 1 88 88 TYR CA C 13 53.930 0.3 . 1 . . . . 364 TYR CA . 7414 1
1006 . 1 1 88 88 TYR CB C 13 35.542 0.3 . 1 . . . . 364 TYR CB . 7414 1
1007 . 1 1 88 88 TYR N N 15 116.143 0.3 . 1 . . . . 364 TYR N . 7414 1
1008 . 1 1 89 89 PRO HA H 1 4.014 0.020 . 1 . . . . 365 PRO HA . 7414 1
1009 . 1 1 89 89 PRO HB2 H 1 0.895 0.020 . 2 . . . . 365 PRO HB2 . 7414 1
1010 . 1 1 89 89 PRO HB3 H 1 -0.298 0.020 . 2 . . . . 365 PRO HB3 . 7414 1
1011 . 1 1 89 89 PRO HD2 H 1 3.404 0.020 . 2 . . . . 365 PRO HD2 . 7414 1
1012 . 1 1 89 89 PRO HD3 H 1 3.216 0.020 . 2 . . . . 365 PRO HD3 . 7414 1
1013 . 1 1 89 89 PRO HG2 H 1 1.240 0.020 . 1 . . . . 365 PRO HG2 . 7414 1
1014 . 1 1 89 89 PRO C C 13 173.000 0.3 . 1 . . . . 365 PRO C . 7414 1
1015 . 1 1 89 89 PRO CA C 13 57.947 0.3 . 1 . . . . 365 PRO CA . 7414 1
1016 . 1 1 89 89 PRO CB C 13 31.898 0.3 . 1 . . . . 365 PRO CB . 7414 1
1017 . 1 1 89 89 PRO CD C 13 47.904 0.3 . 1 . . . . 365 PRO CD . 7414 1
1018 . 1 1 89 89 PRO CG C 13 20.185 0.3 . 1 . . . . 365 PRO CG . 7414 1
1019 . 1 1 90 90 LYS H H 1 7.716 0.020 . 1 . . . . 366 LYS H . 7414 1
1020 . 1 1 90 90 LYS HA H 1 4.205 0.020 . 1 . . . . 366 LYS HA . 7414 1
1021 . 1 1 90 90 LYS HB2 H 1 1.450 0.020 . 2 . . . . 366 LYS HB2 . 7414 1
1022 . 1 1 90 90 LYS HB3 H 1 0.671 0.020 . 2 . . . . 366 LYS HB3 . 7414 1
1023 . 1 1 90 90 LYS HD2 H 1 1.264 0.020 . 2 . . . . 366 LYS HD2 . 7414 1
1024 . 1 1 90 90 LYS HD3 H 1 1.177 0.020 . 2 . . . . 366 LYS HD3 . 7414 1
1025 . 1 1 90 90 LYS HE2 H 1 2.692 0.020 . 1 . . . . 366 LYS HE2 . 7414 1
1026 . 1 1 90 90 LYS HG2 H 1 1.195 0.020 . 1 . . . . 366 LYS HG2 . 7414 1
1027 . 1 1 90 90 LYS C C 13 171.631 0.3 . 1 . . . . 366 LYS C . 7414 1
1028 . 1 1 90 90 LYS CA C 13 51.344 0.3 . 1 . . . . 366 LYS CA . 7414 1
1029 . 1 1 90 90 LYS CB C 13 33.361 0.3 . 1 . . . . 366 LYS CB . 7414 1
1030 . 1 1 90 90 LYS CD C 13 25.412 0.3 . 1 . . . . 366 LYS CD . 7414 1
1031 . 1 1 90 90 LYS CE C 13 39.321 0.3 . 1 . . . . 366 LYS CE . 7414 1
1032 . 1 1 90 90 LYS CG C 13 21.266 0.3 . 1 . . . . 366 LYS CG . 7414 1
1033 . 1 1 90 90 LYS N N 15 119.106 0.3 . 1 . . . . 366 LYS N . 7414 1
1034 . 1 1 91 91 SER H H 1 8.200 0.020 . 1 . . . . 367 SER H . 7414 1
1035 . 1 1 91 91 SER HA H 1 4.785 0.020 . 1 . . . . 367 SER HA . 7414 1
1036 . 1 1 91 91 SER HB2 H 1 3.960 0.020 . 2 . . . . 367 SER HB2 . 7414 1
1037 . 1 1 91 91 SER HB3 H 1 3.685 0.020 . 2 . . . . 367 SER HB3 . 7414 1
1038 . 1 1 91 91 SER C C 13 176.535 0.3 . 1 . . . . 367 SER C . 7414 1
1039 . 1 1 91 91 SER CA C 13 54.507 0.3 . 1 . . . . 367 SER CA . 7414 1
1040 . 1 1 91 91 SER CB C 13 60.816 0.3 . 1 . . . . 367 SER CB . 7414 1
1041 . 1 1 91 91 SER N N 15 111.685 0.3 . 1 . . . . 367 SER N . 7414 1
1042 . 1 1 92 92 ILE H H 1 8.573 0.020 . 1 . . . . 368 ILE H . 7414 1
1043 . 1 1 92 92 ILE HA H 1 4.178 0.020 . 1 . . . . 368 ILE HA . 7414 1
1044 . 1 1 92 92 ILE HB H 1 1.599 0.020 . 1 . . . . 368 ILE HB . 7414 1
1045 . 1 1 92 92 ILE HD11 H 1 -0.057 0.020 . 1 . . . . 368 ILE HD1 . 7414 1
1046 . 1 1 92 92 ILE HD12 H 1 -0.057 0.020 . 1 . . . . 368 ILE HD1 . 7414 1
1047 . 1 1 92 92 ILE HD13 H 1 -0.057 0.020 . 1 . . . . 368 ILE HD1 . 7414 1
1048 . 1 1 92 92 ILE HG12 H 1 0.659 0.020 . 2 . . . . 368 ILE HG12 . 7414 1
1049 . 1 1 92 92 ILE HG13 H 1 0.218 0.020 . 2 . . . . 368 ILE HG13 . 7414 1
1050 . 1 1 92 92 ILE HG21 H 1 0.878 0.020 . 1 . . . . 368 ILE HG2 . 7414 1
1051 . 1 1 92 92 ILE HG22 H 1 0.878 0.020 . 1 . . . . 368 ILE HG2 . 7414 1
1052 . 1 1 92 92 ILE HG23 H 1 0.878 0.020 . 1 . . . . 368 ILE HG2 . 7414 1
1053 . 1 1 92 92 ILE C C 13 174.389 0.3 . 1 . . . . 368 ILE C . 7414 1
1054 . 1 1 92 92 ILE CA C 13 62.015 0.3 . 1 . . . . 368 ILE CA . 7414 1
1055 . 1 1 92 92 ILE CB C 13 34.479 0.3 . 1 . . . . 368 ILE CB . 7414 1
1056 . 1 1 92 92 ILE CD1 C 13 9.697 0.3 . 1 . . . . 368 ILE CD1 . 7414 1
1057 . 1 1 92 92 ILE CG1 C 13 20.547 0.3 . 1 . . . . 368 ILE CG1 . 7414 1
1058 . 1 1 92 92 ILE CG2 C 13 14.763 0.3 . 1 . . . . 368 ILE CG2 . 7414 1
1059 . 1 1 92 92 ILE N N 15 121.296 0.3 . 1 . . . . 368 ILE N . 7414 1
1060 . 1 1 93 93 HIS H H 1 8.306 0.020 . 1 . . . . 369 HIS H . 7414 1
1061 . 1 1 93 93 HIS HA H 1 4.070 0.020 . 1 . . . . 369 HIS HA . 7414 1
1062 . 1 1 93 93 HIS HB2 H 1 3.244 0.020 . 2 . . . . 369 HIS HB2 . 7414 1
1063 . 1 1 93 93 HIS HB3 H 1 2.893 0.020 . 2 . . . . 369 HIS HB3 . 7414 1
1064 . 1 1 93 93 HIS HD2 H 1 10.348 0.020 . 1 . . . . 369 HIS HD2 . 7414 1
1065 . 1 1 93 93 HIS C C 13 174.732 0.3 . 1 . . . . 369 HIS C . 7414 1
1066 . 1 1 93 93 HIS CA C 13 58.100 0.3 . 1 . . . . 369 HIS CA . 7414 1
1067 . 1 1 93 93 HIS CB C 13 25.465 0.3 . 1 . . . . 369 HIS CB . 7414 1
1068 . 1 1 93 93 HIS N N 15 120.846 0.3 . 1 . . . . 369 HIS N . 7414 1
1069 . 1 1 94 94 SER H H 1 7.960 0.020 . 1 . . . . 370 SER H . 7414 1
1070 . 1 1 94 94 SER HA H 1 4.069 0.020 . 1 . . . . 370 SER HA . 7414 1
1071 . 1 1 94 94 SER HB2 H 1 3.794 0.020 . 2 . . . . 370 SER HB2 . 7414 1
1072 . 1 1 94 94 SER HB3 H 1 3.728 0.020 . 2 . . . . 370 SER HB3 . 7414 1
1073 . 1 1 94 94 SER C C 13 172.938 0.3 . 1 . . . . 370 SER C . 7414 1
1074 . 1 1 94 94 SER CA C 13 58.288 0.3 . 1 . . . . 370 SER CA . 7414 1
1075 . 1 1 94 94 SER CB C 13 59.996 0.3 . 1 . . . . 370 SER CB . 7414 1
1076 . 1 1 94 94 SER N N 15 118.041 0.3 . 1 . . . . 370 SER N . 7414 1
1077 . 1 1 95 95 PHE H H 1 7.506 0.020 . 1 . . . . 371 PHE H . 7414 1
1078 . 1 1 95 95 PHE HA H 1 3.704 0.020 . 1 . . . . 371 PHE HA . 7414 1
1079 . 1 1 95 95 PHE HB2 H 1 2.196 0.020 . 2 . . . . 371 PHE HB2 . 7414 1
1080 . 1 1 95 95 PHE HB3 H 1 1.813 0.020 . 2 . . . . 371 PHE HB3 . 7414 1
1081 . 1 1 95 95 PHE C C 13 172.601 0.3 . 1 . . . . 371 PHE C . 7414 1
1082 . 1 1 95 95 PHE CA C 13 57.503 0.3 . 1 . . . . 371 PHE CA . 7414 1
1083 . 1 1 95 95 PHE CB C 13 36.283 0.3 . 1 . . . . 371 PHE CB . 7414 1
1084 . 1 1 95 95 PHE N N 15 117.617 0.3 . 1 . . . . 371 PHE N . 7414 1
1085 . 1 1 96 96 GLY H H 1 7.493 0.020 . 1 . . . . 372 GLY H . 7414 1
1086 . 1 1 96 96 GLY HA2 H 1 4.123 0.020 . 2 . . . . 372 GLY HA2 . 7414 1
1087 . 1 1 96 96 GLY HA3 H 1 3.516 0.020 . 2 . . . . 372 GLY HA3 . 7414 1
1088 . 1 1 96 96 GLY C C 13 172.274 0.3 . 1 . . . . 372 GLY C . 7414 1
1089 . 1 1 96 96 GLY CA C 13 40.984 0.3 . 1 . . . . 372 GLY CA . 7414 1
1090 . 1 1 96 96 GLY N N 15 100.068 0.3 . 1 . . . . 372 GLY N . 7414 1
1091 . 1 1 97 97 PHE H H 1 5.875 0.020 . 1 . . . . 373 PHE H . 7414 1
1092 . 1 1 97 97 PHE HA H 1 3.760 0.020 . 1 . . . . 373 PHE HA . 7414 1
1093 . 1 1 97 97 PHE HB2 H 1 2.251 0.020 . 2 . . . . 373 PHE HB2 . 7414 1
1094 . 1 1 97 97 PHE HB3 H 1 1.761 0.020 . 2 . . . . 373 PHE HB3 . 7414 1
1095 . 1 1 97 97 PHE HD2 H 1 5.730 0.020 . 1 . . . . 373 PHE HD2 . 7414 1
1096 . 1 1 97 97 PHE CA C 13 53.834 0.3 . 1 . . . . 373 PHE CA . 7414 1
1097 . 1 1 97 97 PHE CB C 13 35.547 0.3 . 1 . . . . 373 PHE CB . 7414 1
1098 . 1 1 97 97 PHE N N 15 115.400 0.3 . 1 . . . . 373 PHE N . 7414 1
1099 . 1 1 98 98 PRO HA H 1 4.399 0.020 . 1 . . . . 374 PRO HA . 7414 1
1100 . 1 1 98 98 PRO HB2 H 1 2.276 0.020 . 2 . . . . 374 PRO HB2 . 7414 1
1101 . 1 1 98 98 PRO HB3 H 1 1.247 0.020 . 2 . . . . 374 PRO HB3 . 7414 1
1102 . 1 1 98 98 PRO HD2 H 1 3.726 0.020 . 2 . . . . 374 PRO HD2 . 7414 1
1103 . 1 1 98 98 PRO HD3 H 1 2.992 0.020 . 2 . . . . 374 PRO HD3 . 7414 1
1104 . 1 1 98 98 PRO HG2 H 1 1.980 0.020 . 2 . . . . 374 PRO HG2 . 7414 1
1105 . 1 1 98 98 PRO HG3 H 1 1.452 0.020 . 2 . . . . 374 PRO HG3 . 7414 1
1106 . 1 1 98 98 PRO CA C 13 58.908 0.3 . 1 . . . . 374 PRO CA . 7414 1
1107 . 1 1 98 98 PRO CB C 13 29.421 0.3 . 1 . . . . 374 PRO CB . 7414 1
1108 . 1 1 98 98 PRO CD C 13 46.783 0.3 . 1 . . . . 374 PRO CD . 7414 1
1109 . 1 1 98 98 PRO CG C 13 24.711 0.3 . 1 . . . . 374 PRO CG . 7414 1
1110 . 1 1 99 99 ASN H H 1 7.183 0.020 . 1 . . . . 375 ASN H . 7414 1
1111 . 1 1 99 99 ASN HA H 1 3.686 0.020 . 1 . . . . 375 ASN HA . 7414 1
1112 . 1 1 99 99 ASN HB2 H 1 2.581 0.020 . 2 . . . . 375 ASN HB2 . 7414 1
1113 . 1 1 99 99 ASN HB3 H 1 2.568 0.020 . 2 . . . . 375 ASN HB3 . 7414 1
1114 . 1 1 99 99 ASN HD21 H 1 7.424 0.020 . 1 . . . . 375 ASN HD21 . 7414 1
1115 . 1 1 99 99 ASN HD22 H 1 6.763 0.020 . 1 . . . . 375 ASN HD22 . 7414 1
1116 . 1 1 99 99 ASN C C 13 172.530 0.3 . 1 . . . . 375 ASN C . 7414 1
1117 . 1 1 99 99 ASN CA C 13 52.561 0.3 . 1 . . . . 375 ASN CA . 7414 1
1118 . 1 1 99 99 ASN CB C 13 34.660 0.3 . 1 . . . . 375 ASN CB . 7414 1
1119 . 1 1 99 99 ASN N N 15 115.965 0.3 . 1 . . . . 375 ASN N . 7414 1
1120 . 1 1 99 99 ASN ND2 N 15 111.943 0.3 . 1 . . . . 375 ASN ND2 . 7414 1
1121 . 1 1 100 100 PHE H H 1 6.822 0.020 . 1 . . . . 376 PHE H . 7414 1
1122 . 1 1 100 100 PHE HA H 1 4.455 0.020 . 1 . . . . 376 PHE HA . 7414 1
1123 . 1 1 100 100 PHE HB2 H 1 3.403 0.020 . 2 . . . . 376 PHE HB2 . 7414 1
1124 . 1 1 100 100 PHE HB3 H 1 2.859 0.020 . 2 . . . . 376 PHE HB3 . 7414 1
1125 . 1 1 100 100 PHE C C 13 172.935 0.3 . 1 . . . . 376 PHE C . 7414 1
1126 . 1 1 100 100 PHE CA C 13 54.146 0.3 . 1 . . . . 376 PHE CA . 7414 1
1127 . 1 1 100 100 PHE CB C 13 34.231 0.3 . 1 . . . . 376 PHE CB . 7414 1
1128 . 1 1 100 100 PHE N N 15 111.355 0.3 . 1 . . . . 376 PHE N . 7414 1
1129 . 1 1 101 101 VAL H H 1 7.187 0.020 . 1 . . . . 377 VAL H . 7414 1
1130 . 1 1 101 101 VAL HA H 1 3.578 0.020 . 1 . . . . 377 VAL HA . 7414 1
1131 . 1 1 101 101 VAL HB H 1 1.484 0.020 . 1 . . . . 377 VAL HB . 7414 1
1132 . 1 1 101 101 VAL HG11 H 1 -0.170 0.020 . 1 . . . . 377 VAL HG1 . 7414 1
1133 . 1 1 101 101 VAL HG12 H 1 -0.170 0.020 . 1 . . . . 377 VAL HG1 . 7414 1
1134 . 1 1 101 101 VAL HG13 H 1 -0.170 0.020 . 1 . . . . 377 VAL HG1 . 7414 1
1135 . 1 1 101 101 VAL HG21 H 1 0.107 0.020 . 1 . . . . 377 VAL HG2 . 7414 1
1136 . 1 1 101 101 VAL HG22 H 1 0.107 0.020 . 1 . . . . 377 VAL HG2 . 7414 1
1137 . 1 1 101 101 VAL HG23 H 1 0.107 0.020 . 1 . . . . 377 VAL HG2 . 7414 1
1138 . 1 1 101 101 VAL C C 13 171.935 0.3 . 1 . . . . 377 VAL C . 7414 1
1139 . 1 1 101 101 VAL CA C 13 60.772 0.3 . 1 . . . . 377 VAL CA . 7414 1
1140 . 1 1 101 101 VAL CB C 13 27.940 0.3 . 1 . . . . 377 VAL CB . 7414 1
1141 . 1 1 101 101 VAL CG1 C 13 17.686 0.3 . 1 . . . . 377 VAL CG1 . 7414 1
1142 . 1 1 101 101 VAL CG2 C 13 19.485 0.3 . 1 . . . . 377 VAL CG2 . 7414 1
1143 . 1 1 101 101 VAL N N 15 124.857 0.3 . 1 . . . . 377 VAL N . 7414 1
1144 . 1 1 102 102 LYS H H 1 8.452 0.020 . 1 . . . . 378 LYS H . 7414 1
1145 . 1 1 102 102 LYS HA H 1 4.278 0.020 . 1 . . . . 378 LYS HA . 7414 1
1146 . 1 1 102 102 LYS HB2 H 1 1.869 0.020 . 2 . . . . 378 LYS HB2 . 7414 1
1147 . 1 1 102 102 LYS HB3 H 1 1.538 0.020 . 2 . . . . 378 LYS HB3 . 7414 1
1148 . 1 1 102 102 LYS HD2 H 1 1.593 0.020 . 1 . . . . 378 LYS HD2 . 7414 1
1149 . 1 1 102 102 LYS HE2 H 1 2.912 0.020 . 1 . . . . 378 LYS HE2 . 7414 1
1150 . 1 1 102 102 LYS HG2 H 1 1.336 0.020 . 1 . . . . 378 LYS HG2 . 7414 1
1151 . 1 1 102 102 LYS C C 13 171.666 0.3 . 1 . . . . 378 LYS C . 7414 1
1152 . 1 1 102 102 LYS CA C 13 51.623 0.3 . 1 . . . . 378 LYS CA . 7414 1
1153 . 1 1 102 102 LYS CB C 13 30.482 0.3 . 1 . . . . 378 LYS CB . 7414 1
1154 . 1 1 102 102 LYS CD C 13 25.282 0.3 . 1 . . . . 378 LYS CD . 7414 1
1155 . 1 1 102 102 LYS CE C 13 39.082 0.3 . 1 . . . . 378 LYS CE . 7414 1
1156 . 1 1 102 102 LYS CG C 13 20.935 0.3 . 1 . . . . 378 LYS CG . 7414 1
1157 . 1 1 102 102 LYS N N 15 125.400 0.3 . 1 . . . . 378 LYS N . 7414 1
1158 . 1 1 103 103 LYS H H 1 7.164 0.020 . 1 . . . . 379 LYS H . 7414 1
1159 . 1 1 103 103 LYS HA H 1 4.405 0.020 . 1 . . . . 379 LYS HA . 7414 1
1160 . 1 1 103 103 LYS HB2 H 1 1.891 0.020 . 2 . . . . 379 LYS HB2 . 7414 1
1161 . 1 1 103 103 LYS HB3 H 1 1.851 0.020 . 2 . . . . 379 LYS HB3 . 7414 1
1162 . 1 1 103 103 LYS HD2 H 1 1.564 0.020 . 1 . . . . 379 LYS HD2 . 7414 1
1163 . 1 1 103 103 LYS HE2 H 1 2.889 0.020 . 1 . . . . 379 LYS HE2 . 7414 1
1164 . 1 1 103 103 LYS HG2 H 1 1.153 0.020 . 2 . . . . 379 LYS HG2 . 7414 1
1165 . 1 1 103 103 LYS HG3 H 1 1.046 0.020 . 2 . . . . 379 LYS HG3 . 7414 1
1166 . 1 1 103 103 LYS C C 13 170.078 0.3 . 1 . . . . 379 LYS C . 7414 1
1167 . 1 1 103 103 LYS CA C 13 51.664 0.3 . 1 . . . . 379 LYS CA . 7414 1
1168 . 1 1 103 103 LYS CB C 13 30.462 0.3 . 1 . . . . 379 LYS CB . 7414 1
1169 . 1 1 103 103 LYS CD C 13 26.237 0.3 . 1 . . . . 379 LYS CD . 7414 1
1170 . 1 1 103 103 LYS CE C 13 39.099 0.3 . 1 . . . . 379 LYS CE . 7414 1
1171 . 1 1 103 103 LYS CG C 13 19.700 0.3 . 1 . . . . 379 LYS CG . 7414 1
1172 . 1 1 103 103 LYS N N 15 114.409 0.3 . 1 . . . . 379 LYS N . 7414 1
1173 . 1 1 104 104 ILE H H 1 9.791 0.020 . 1 . . . . 380 ILE H . 7414 1
1174 . 1 1 104 104 ILE HA H 1 3.905 0.020 . 1 . . . . 380 ILE HA . 7414 1
1175 . 1 1 104 104 ILE HB H 1 1.374 0.020 . 1 . . . . 380 ILE HB . 7414 1
1176 . 1 1 104 104 ILE HD11 H 1 -0.785 0.020 . 1 . . . . 380 ILE HD1 . 7414 1
1177 . 1 1 104 104 ILE HD12 H 1 -0.785 0.020 . 1 . . . . 380 ILE HD1 . 7414 1
1178 . 1 1 104 104 ILE HD13 H 1 -0.785 0.020 . 1 . . . . 380 ILE HD1 . 7414 1
1179 . 1 1 104 104 ILE HG12 H 1 0.659 0.020 . 1 . . . . 380 ILE HG12 . 7414 1
1180 . 1 1 104 104 ILE HG21 H 1 0.206 0.020 . 1 . . . . 380 ILE HG2 . 7414 1
1181 . 1 1 104 104 ILE HG22 H 1 0.206 0.020 . 1 . . . . 380 ILE HG2 . 7414 1
1182 . 1 1 104 104 ILE HG23 H 1 0.206 0.020 . 1 . . . . 380 ILE HG2 . 7414 1
1183 . 1 1 104 104 ILE C C 13 172.065 0.3 . 1 . . . . 380 ILE C . 7414 1
1184 . 1 1 104 104 ILE CA C 13 55.349 0.3 . 1 . . . . 380 ILE CA . 7414 1
1185 . 1 1 104 104 ILE CB C 13 34.563 0.3 . 1 . . . . 380 ILE CB . 7414 1
1186 . 1 1 104 104 ILE CD1 C 13 7.290 0.3 . 1 . . . . 380 ILE CD1 . 7414 1
1187 . 1 1 104 104 ILE CG1 C 13 23.433 0.3 . 1 . . . . 380 ILE CG1 . 7414 1
1188 . 1 1 104 104 ILE CG2 C 13 14.898 0.3 . 1 . . . . 380 ILE CG2 . 7414 1
1189 . 1 1 104 104 ILE N N 15 120.698 0.3 . 1 . . . . 380 ILE N . 7414 1
1190 . 1 1 105 105 ASP H H 1 8.430 0.020 . 1 . . . . 381 ASP H . 7414 1
1191 . 1 1 105 105 ASP HA H 1 4.896 0.020 . 1 . . . . 381 ASP HA . 7414 1
1192 . 1 1 105 105 ASP HB2 H 1 3.306 0.020 . 2 . . . . 381 ASP HB2 . 7414 1
1193 . 1 1 105 105 ASP HB3 H 1 2.774 0.020 . 2 . . . . 381 ASP HB3 . 7414 1
1194 . 1 1 105 105 ASP C C 13 173.069 0.3 . 1 . . . . 381 ASP C . 7414 1
1195 . 1 1 105 105 ASP CA C 13 52.846 0.3 . 1 . . . . 381 ASP CA . 7414 1
1196 . 1 1 105 105 ASP CB C 13 38.375 0.3 . 1 . . . . 381 ASP CB . 7414 1
1197 . 1 1 105 105 ASP N N 15 121.435 0.3 . 1 . . . . 381 ASP N . 7414 1
1198 . 1 1 106 106 ALA H H 1 7.912 0.020 . 1 . . . . 382 ALA H . 7414 1
1199 . 1 1 106 106 ALA HA H 1 5.335 0.020 . 1 . . . . 382 ALA HA . 7414 1
1200 . 1 1 106 106 ALA HB1 H 1 1.328 0.020 . 1 . . . . 382 ALA HB . 7414 1
1201 . 1 1 106 106 ALA HB2 H 1 1.328 0.020 . 1 . . . . 382 ALA HB . 7414 1
1202 . 1 1 106 106 ALA HB3 H 1 1.328 0.020 . 1 . . . . 382 ALA HB . 7414 1
1203 . 1 1 106 106 ALA C C 13 172.093 0.3 . 1 . . . . 382 ALA C . 7414 1
1204 . 1 1 106 106 ALA CA C 13 49.046 0.3 . 1 . . . . 382 ALA CA . 7414 1
1205 . 1 1 106 106 ALA CB C 13 18.860 0.3 . 1 . . . . 382 ALA CB . 7414 1
1206 . 1 1 106 106 ALA N N 15 118.289 0.3 . 1 . . . . 382 ALA N . 7414 1
1207 . 1 1 107 107 ALA H H 1 8.893 0.020 . 1 . . . . 383 ALA H . 7414 1
1208 . 1 1 107 107 ALA HA H 1 5.502 0.020 . 1 . . . . 383 ALA HA . 7414 1
1209 . 1 1 107 107 ALA HB1 H 1 0.823 0.020 . 1 . . . . 383 ALA HB . 7414 1
1210 . 1 1 107 107 ALA HB2 H 1 0.823 0.020 . 1 . . . . 383 ALA HB . 7414 1
1211 . 1 1 107 107 ALA HB3 H 1 0.823 0.020 . 1 . . . . 383 ALA HB . 7414 1
1212 . 1 1 107 107 ALA C C 13 171.104 0.3 . 1 . . . . 383 ALA C . 7414 1
1213 . 1 1 107 107 ALA CA C 13 48.248 0.3 . 1 . . . . 383 ALA CA . 7414 1
1214 . 1 1 107 107 ALA CB C 13 20.523 0.3 . 1 . . . . 383 ALA CB . 7414 1
1215 . 1 1 107 107 ALA N N 15 124.233 0.3 . 1 . . . . 383 ALA N . 7414 1
1216 . 1 1 108 108 VAL H H 1 8.022 0.020 . 1 . . . . 384 VAL H . 7414 1
1217 . 1 1 108 108 VAL HA H 1 4.517 0.020 . 1 . . . . 384 VAL HA . 7414 1
1218 . 1 1 108 108 VAL HB H 1 2.252 0.020 . 1 . . . . 384 VAL HB . 7414 1
1219 . 1 1 108 108 VAL HG11 H 1 1.044 0.020 . 1 . . . . 384 VAL HG1 . 7414 1
1220 . 1 1 108 108 VAL HG12 H 1 1.044 0.020 . 1 . . . . 384 VAL HG1 . 7414 1
1221 . 1 1 108 108 VAL HG13 H 1 1.044 0.020 . 1 . . . . 384 VAL HG1 . 7414 1
1222 . 1 1 108 108 VAL HG21 H 1 0.354 0.020 . 1 . . . . 384 VAL HG2 . 7414 1
1223 . 1 1 108 108 VAL HG22 H 1 0.354 0.020 . 1 . . . . 384 VAL HG2 . 7414 1
1224 . 1 1 108 108 VAL HG23 H 1 0.354 0.020 . 1 . . . . 384 VAL HG2 . 7414 1
1225 . 1 1 108 108 VAL C C 13 167.729 0.3 . 1 . . . . 384 VAL C . 7414 1
1226 . 1 1 108 108 VAL CA C 13 58.048 0.3 . 1 . . . . 384 VAL CA . 7414 1
1227 . 1 1 108 108 VAL CB C 13 30.458 0.3 . 1 . . . . 384 VAL CB . 7414 1
1228 . 1 1 108 108 VAL CG1 C 13 20.277 0.3 . 1 . . . . 384 VAL CG1 . 7414 1
1229 . 1 1 108 108 VAL CG2 C 13 14.819 0.3 . 1 . . . . 384 VAL CG2 . 7414 1
1230 . 1 1 108 108 VAL N N 15 113.088 0.3 . 1 . . . . 384 VAL N . 7414 1
1231 . 1 1 109 109 PHE H H 1 9.035 0.020 . 1 . . . . 385 PHE H . 7414 1
1232 . 1 1 109 109 PHE HA H 1 5.061 0.020 . 1 . . . . 385 PHE HA . 7414 1
1233 . 1 1 109 109 PHE HB2 H 1 3.353 0.020 . 1 . . . . 385 PHE HB2 . 7414 1
1234 . 1 1 109 109 PHE HE1 H 1 7.534 0.020 . 1 . . . . 385 PHE HE1 . 7414 1
1235 . 1 1 109 109 PHE C C 13 171.368 0.3 . 1 . . . . 385 PHE C . 7414 1
1236 . 1 1 109 109 PHE CA C 13 52.820 0.3 . 1 . . . . 385 PHE CA . 7414 1
1237 . 1 1 109 109 PHE CB C 13 37.233 0.3 . 1 . . . . 385 PHE CB . 7414 1
1238 . 1 1 109 109 PHE N N 15 129.580 0.3 . 1 . . . . 385 PHE N . 7414 1
1239 . 1 1 110 110 ASN H H 1 8.756 0.020 . 1 . . . . 386 ASN H . 7414 1
1240 . 1 1 110 110 ASN HA H 1 4.400 0.020 . 1 . . . . 386 ASN HA . 7414 1
1241 . 1 1 110 110 ASN HB2 H 1 2.804 0.020 . 2 . . . . 386 ASN HB2 . 7414 1
1242 . 1 1 110 110 ASN HB3 H 1 2.363 0.020 . 2 . . . . 386 ASN HB3 . 7414 1
1243 . 1 1 110 110 ASN CA C 13 45.177 0.3 . 1 . . . . 386 ASN CA . 7414 1
1244 . 1 1 110 110 ASN CB C 13 36.606 0.3 . 1 . . . . 386 ASN CB . 7414 1
1245 . 1 1 110 110 ASN N N 15 126.284 0.3 . 1 . . . . 386 ASN N . 7414 1
1246 . 1 1 111 111 PRO HA H 1 3.587 0.020 . 1 . . . . 387 PRO HA . 7414 1
1247 . 1 1 111 111 PRO HB2 H 1 1.923 0.020 . 2 . . . . 387 PRO HB2 . 7414 1
1248 . 1 1 111 111 PRO HB3 H 1 2.277 0.020 . 2 . . . . 387 PRO HB3 . 7414 1
1249 . 1 1 111 111 PRO HD2 H 1 3.079 0.020 . 2 . . . . 387 PRO HD2 . 7414 1
1250 . 1 1 111 111 PRO HD3 H 1 2.308 0.020 . 2 . . . . 387 PRO HD3 . 7414 1
1251 . 1 1 111 111 PRO HG2 H 1 1.897 0.020 . 2 . . . . 387 PRO HG2 . 7414 1
1252 . 1 1 111 111 PRO HG3 H 1 1.758 0.020 . 2 . . . . 387 PRO HG3 . 7414 1
1253 . 1 1 111 111 PRO C C 13 174.531 0.3 . 1 . . . . 387 PRO C . 7414 1
1254 . 1 1 111 111 PRO CA C 13 60.578 0.3 . 1 . . . . 387 PRO CA . 7414 1
1255 . 1 1 111 111 PRO CB C 13 29.050 0.3 . 1 . . . . 387 PRO CB . 7414 1
1256 . 1 1 111 111 PRO CD C 13 47.582 0.3 . 1 . . . . 387 PRO CD . 7414 1
1257 . 1 1 111 111 PRO CG C 13 23.562 0.3 . 1 . . . . 387 PRO CG . 7414 1
1258 . 1 1 112 112 ARG H H 1 7.581 0.020 . 1 . . . . 388 ARG H . 7414 1
1259 . 1 1 112 112 ARG HA H 1 3.925 0.020 . 1 . . . . 388 ARG HA . 7414 1
1260 . 1 1 112 112 ARG HB2 H 1 1.428 0.020 . 2 . . . . 388 ARG HB2 . 7414 1
1261 . 1 1 112 112 ARG HB3 H 1 1.317 0.020 . 2 . . . . 388 ARG HB3 . 7414 1
1262 . 1 1 112 112 ARG HD2 H 1 3.135 0.020 . 2 . . . . 388 ARG HD2 . 7414 1
1263 . 1 1 112 112 ARG HD3 H 1 2.968 0.020 . 2 . . . . 388 ARG HD3 . 7414 1
1264 . 1 1 112 112 ARG HG2 H 1 1.262 0.020 . 1 . . . . 388 ARG HG2 . 7414 1
1265 . 1 1 112 112 ARG C C 13 174.944 0.3 . 1 . . . . 388 ARG C . 7414 1
1266 . 1 1 112 112 ARG CA C 13 55.045 0.3 . 1 . . . . 388 ARG CA . 7414 1
1267 . 1 1 112 112 ARG CB C 13 25.826 0.3 . 1 . . . . 388 ARG CB . 7414 1
1268 . 1 1 112 112 ARG CD C 13 40.303 0.3 . 1 . . . . 388 ARG CD . 7414 1
1269 . 1 1 112 112 ARG CG C 13 23.706 0.3 . 1 . . . . 388 ARG CG . 7414 1
1270 . 1 1 112 112 ARG N N 15 117.668 0.3 . 1 . . . . 388 ARG N . 7414 1
1271 . 1 1 113 113 PHE H H 1 6.668 0.020 . 1 . . . . 389 PHE H . 7414 1
1272 . 1 1 113 113 PHE HA H 1 4.839 0.020 . 1 . . . . 389 PHE HA . 7414 1
1273 . 1 1 113 113 PHE HB2 H 1 3.334 0.020 . 2 . . . . 389 PHE HB2 . 7414 1
1274 . 1 1 113 113 PHE HB3 H 1 2.270 0.020 . 2 . . . . 389 PHE HB3 . 7414 1
1275 . 1 1 113 113 PHE C C 13 172.203 0.3 . 1 . . . . 389 PHE C . 7414 1
1276 . 1 1 113 113 PHE CA C 13 51.465 0.3 . 1 . . . . 389 PHE CA . 7414 1
1277 . 1 1 113 113 PHE CB C 13 36.583 0.3 . 1 . . . . 389 PHE CB . 7414 1
1278 . 1 1 113 113 PHE N N 15 113.789 0.3 . 1 . . . . 389 PHE N . 7414 1
1279 . 1 1 114 114 TYR H H 1 8.335 0.020 . 1 . . . . 390 TYR H . 7414 1
1280 . 1 1 114 114 TYR HA H 1 3.632 0.020 . 1 . . . . 390 TYR HA . 7414 1
1281 . 1 1 114 114 TYR HB2 H 1 3.682 0.020 . 2 . . . . 390 TYR HB2 . 7414 1
1282 . 1 1 114 114 TYR HB3 H 1 2.746 0.020 . 2 . . . . 390 TYR HB3 . 7414 1
1283 . 1 1 114 114 TYR HD1 H 1 7.151 0.020 . 1 . . . . 390 TYR HD1 . 7414 1
1284 . 1 1 114 114 TYR HE1 H 1 6.985 0.020 . 1 . . . . 390 TYR HE1 . 7414 1
1285 . 1 1 114 114 TYR C C 13 171.964 0.3 . 1 . . . . 390 TYR C . 7414 1
1286 . 1 1 114 114 TYR CA C 13 57.191 0.3 . 1 . . . . 390 TYR CA . 7414 1
1287 . 1 1 114 114 TYR CB C 13 34.042 0.3 . 1 . . . . 390 TYR CB . 7414 1
1288 . 1 1 114 114 TYR N N 15 123.732 0.3 . 1 . . . . 390 TYR N . 7414 1
1289 . 1 1 115 115 ARG H H 1 6.700 0.020 . 1 . . . . 391 ARG H . 7414 1
1290 . 1 1 115 115 ARG HA H 1 5.170 0.020 . 1 . . . . 391 ARG HA . 7414 1
1291 . 1 1 115 115 ARG HB2 H 1 1.263 0.020 . 2 . . . . 391 ARG HB2 . 7414 1
1292 . 1 1 115 115 ARG HB3 H 1 1.096 0.020 . 2 . . . . 391 ARG HB3 . 7414 1
1293 . 1 1 115 115 ARG HD2 H 1 3.105 0.020 . 2 . . . . 391 ARG HD2 . 7414 1
1294 . 1 1 115 115 ARG HD3 H 1 2.618 0.020 . 2 . . . . 391 ARG HD3 . 7414 1
1295 . 1 1 115 115 ARG HG2 H 1 1.077 0.020 . 1 . . . . 391 ARG HG2 . 7414 1
1296 . 1 1 115 115 ARG C C 13 170.734 0.3 . 1 . . . . 391 ARG C . 7414 1
1297 . 1 1 115 115 ARG CA C 13 49.671 0.3 . 1 . . . . 391 ARG CA . 7414 1
1298 . 1 1 115 115 ARG CB C 13 32.433 0.3 . 1 . . . . 391 ARG CB . 7414 1
1299 . 1 1 115 115 ARG CD C 13 40.261 0.3 . 1 . . . . 391 ARG CD . 7414 1
1300 . 1 1 115 115 ARG CG C 13 23.988 0.3 . 1 . . . . 391 ARG CG . 7414 1
1301 . 1 1 115 115 ARG N N 15 113.668 0.3 . 1 . . . . 391 ARG N . 7414 1
1302 . 1 1 116 116 THR H H 1 9.078 0.020 . 1 . . . . 392 THR H . 7414 1
1303 . 1 1 116 116 THR HA H 1 4.675 0.020 . 1 . . . . 392 THR HA . 7414 1
1304 . 1 1 116 116 THR HB H 1 3.190 0.020 . 1 . . . . 392 THR HB . 7414 1
1305 . 1 1 116 116 THR HG21 H 1 -1.211 0.020 . 1 . . . . 392 THR HG2 . 7414 1
1306 . 1 1 116 116 THR HG22 H 1 -1.211 0.020 . 1 . . . . 392 THR HG2 . 7414 1
1307 . 1 1 116 116 THR HG23 H 1 -1.211 0.020 . 1 . . . . 392 THR HG2 . 7414 1
1308 . 1 1 116 116 THR C C 13 169.879 0.3 . 1 . . . . 392 THR C . 7414 1
1309 . 1 1 116 116 THR CA C 13 57.906 0.3 . 1 . . . . 392 THR CA . 7414 1
1310 . 1 1 116 116 THR CB C 13 65.689 0.3 . 1 . . . . 392 THR CB . 7414 1
1311 . 1 1 116 116 THR CG2 C 13 18.087 0.3 . 1 . . . . 392 THR CG2 . 7414 1
1312 . 1 1 116 116 THR N N 15 121.756 0.3 . 1 . . . . 392 THR N . 7414 1
1313 . 1 1 117 117 TYR H H 1 8.838 0.020 . 1 . . . . 393 TYR H . 7414 1
1314 . 1 1 117 117 TYR HA H 1 4.564 0.020 . 1 . . . . 393 TYR HA . 7414 1
1315 . 1 1 117 117 TYR HB2 H 1 2.529 0.020 . 2 . . . . 393 TYR HB2 . 7414 1
1316 . 1 1 117 117 TYR HB3 H 1 1.980 0.020 . 2 . . . . 393 TYR HB3 . 7414 1
1317 . 1 1 117 117 TYR HD1 H 1 6.382 0.020 . 3 . . . . 393 TYR HD1 . 7414 1
1318 . 1 1 117 117 TYR HD2 H 1 6.927 0.020 . 3 . . . . 393 TYR HD2 . 7414 1
1319 . 1 1 117 117 TYR HE1 H 1 6.401 0.020 . 1 . . . . 393 TYR HE1 . 7414 1
1320 . 1 1 117 117 TYR C C 13 170.602 0.3 . 1 . . . . 393 TYR C . 7414 1
1321 . 1 1 117 117 TYR CA C 13 53.407 0.3 . 1 . . . . 393 TYR CA . 7414 1
1322 . 1 1 117 117 TYR CB C 13 36.885 0.3 . 1 . . . . 393 TYR CB . 7414 1
1323 . 1 1 117 117 TYR N N 15 125.966 0.3 . 1 . . . . 393 TYR N . 7414 1
1324 . 1 1 118 118 PHE H H 1 8.390 0.020 . 1 . . . . 394 PHE H . 7414 1
1325 . 1 1 118 118 PHE HA H 1 4.861 0.020 . 1 . . . . 394 PHE HA . 7414 1
1326 . 1 1 118 118 PHE HB2 H 1 2.583 0.020 . 1 . . . . 394 PHE HB2 . 7414 1
1327 . 1 1 118 118 PHE HD1 H 1 6.713 0.020 . 1 . . . . 394 PHE HD1 . 7414 1
1328 . 1 1 118 118 PHE C C 13 171.743 0.3 . 1 . . . . 394 PHE C . 7414 1
1329 . 1 1 118 118 PHE CA C 13 53.124 0.3 . 1 . . . . 394 PHE CA . 7414 1
1330 . 1 1 118 118 PHE CB C 13 40.043 0.3 . 1 . . . . 394 PHE CB . 7414 1
1331 . 1 1 118 118 PHE N N 15 119.052 0.3 . 1 . . . . 394 PHE N . 7414 1
1332 . 1 1 119 119 PHE H H 1 8.914 0.020 . 1 . . . . 395 PHE H . 7414 1
1333 . 1 1 119 119 PHE HA H 1 4.999 0.020 . 1 . . . . 395 PHE HA . 7414 1
1334 . 1 1 119 119 PHE HB2 H 1 3.138 0.020 . 2 . . . . 395 PHE HB2 . 7414 1
1335 . 1 1 119 119 PHE HB3 H 1 2.805 0.020 . 2 . . . . 395 PHE HB3 . 7414 1
1336 . 1 1 119 119 PHE HD1 H 1 6.876 0.020 . 1 . . . . 395 PHE HD1 . 7414 1
1337 . 1 1 119 119 PHE HE1 H 1 6.326 0.020 . 1 . . . . 395 PHE HE1 . 7414 1
1338 . 1 1 119 119 PHE C C 13 172.137 0.3 . 1 . . . . 395 PHE C . 7414 1
1339 . 1 1 119 119 PHE CA C 13 54.939 0.3 . 1 . . . . 395 PHE CA . 7414 1
1340 . 1 1 119 119 PHE CB C 13 36.488 0.3 . 1 . . . . 395 PHE CB . 7414 1
1341 . 1 1 119 119 PHE N N 15 122.638 0.3 . 1 . . . . 395 PHE N . 7414 1
1342 . 1 1 120 120 VAL H H 1 9.567 0.020 . 1 . . . . 396 VAL H . 7414 1
1343 . 1 1 120 120 VAL HA H 1 4.068 0.020 . 1 . . . . 396 VAL HA . 7414 1
1344 . 1 1 120 120 VAL HB H 1 2.418 0.020 . 1 . . . . 396 VAL HB . 7414 1
1345 . 1 1 120 120 VAL HG11 H 1 0.713 0.020 . 1 . . . . 396 VAL HG1 . 7414 1
1346 . 1 1 120 120 VAL HG12 H 1 0.713 0.020 . 1 . . . . 396 VAL HG1 . 7414 1
1347 . 1 1 120 120 VAL HG13 H 1 0.713 0.020 . 1 . . . . 396 VAL HG1 . 7414 1
1348 . 1 1 120 120 VAL HG21 H 1 1.006 0.020 . 1 . . . . 396 VAL HG2 . 7414 1
1349 . 1 1 120 120 VAL HG22 H 1 1.006 0.020 . 1 . . . . 396 VAL HG2 . 7414 1
1350 . 1 1 120 120 VAL HG23 H 1 1.006 0.020 . 1 . . . . 396 VAL HG2 . 7414 1
1351 . 1 1 120 120 VAL C C 13 172.470 0.3 . 1 . . . . 396 VAL C . 7414 1
1352 . 1 1 120 120 VAL CA C 13 59.359 0.3 . 1 . . . . 396 VAL CA . 7414 1
1353 . 1 1 120 120 VAL CB C 13 32.253 0.3 . 1 . . . . 396 VAL CB . 7414 1
1354 . 1 1 120 120 VAL CG1 C 13 17.124 0.3 . 1 . . . . 396 VAL CG1 . 7414 1
1355 . 1 1 120 120 VAL CG2 C 13 18.115 0.3 . 1 . . . . 396 VAL CG2 . 7414 1
1356 . 1 1 120 120 VAL N N 15 124.542 0.3 . 1 . . . . 396 VAL N . 7414 1
1357 . 1 1 121 121 ASP H H 1 9.544 0.020 . 1 . . . . 397 ASP H . 7414 1
1358 . 1 1 121 121 ASP HA H 1 4.124 0.020 . 1 . . . . 397 ASP HA . 7414 1
1359 . 1 1 121 121 ASP HB2 H 1 2.970 0.020 . 1 . . . . 397 ASP HB2 . 7414 1
1360 . 1 1 121 121 ASP C C 13 171.030 0.3 . 1 . . . . 397 ASP C . 7414 1
1361 . 1 1 121 121 ASP CA C 13 53.879 0.3 . 1 . . . . 397 ASP CA . 7414 1
1362 . 1 1 121 121 ASP CB C 13 36.429 0.3 . 1 . . . . 397 ASP CB . 7414 1
1363 . 1 1 121 121 ASP N N 15 131.332 0.3 . 1 . . . . 397 ASP N . 7414 1
1364 . 1 1 122 122 ASN H H 1 8.200 0.020 . 1 . . . . 398 ASN H . 7414 1
1365 . 1 1 122 122 ASN HA H 1 5.452 0.020 . 1 . . . . 398 ASN HA . 7414 1
1366 . 1 1 122 122 ASN HB2 H 1 3.111 0.020 . 2 . . . . 398 ASN HB2 . 7414 1
1367 . 1 1 122 122 ASN HB3 H 1 2.791 0.020 . 2 . . . . 398 ASN HB3 . 7414 1
1368 . 1 1 122 122 ASN HD21 H 1 7.377 0.020 . 1 . . . . 398 ASN HD21 . 7414 1
1369 . 1 1 122 122 ASN HD22 H 1 6.883 0.020 . 1 . . . . 398 ASN HD22 . 7414 1
1370 . 1 1 122 122 ASN C C 13 173.535 0.3 . 1 . . . . 398 ASN C . 7414 1
1371 . 1 1 122 122 ASN CA C 13 50.240 0.3 . 1 . . . . 398 ASN CA . 7414 1
1372 . 1 1 122 122 ASN CB C 13 35.199 0.3 . 1 . . . . 398 ASN CB . 7414 1
1373 . 1 1 122 122 ASN N N 15 117.629 0.3 . 1 . . . . 398 ASN N . 7414 1
1374 . 1 1 122 122 ASN ND2 N 15 110.471 0.3 . 1 . . . . 398 ASN ND2 . 7414 1
1375 . 1 1 123 123 GLN H H 1 8.646 0.020 . 1 . . . . 399 GLN H . 7414 1
1376 . 1 1 123 123 GLN HA H 1 5.555 0.020 . 1 . . . . 399 GLN HA . 7414 1
1377 . 1 1 123 123 GLN HB2 H 1 1.979 0.020 . 2 . . . . 399 GLN HB2 . 7414 1
1378 . 1 1 123 123 GLN HB3 H 1 1.893 0.020 . 2 . . . . 399 GLN HB3 . 7414 1
1379 . 1 1 123 123 GLN HE21 H 1 7.612 0.020 . 1 . . . . 399 GLN HE21 . 7414 1
1380 . 1 1 123 123 GLN HE22 H 1 6.692 0.020 . 1 . . . . 399 GLN HE22 . 7414 1
1381 . 1 1 123 123 GLN HG2 H 1 2.969 0.020 . 1 . . . . 399 GLN HG2 . 7414 1
1382 . 1 1 123 123 GLN C C 13 170.561 0.3 . 1 . . . . 399 GLN C . 7414 1
1383 . 1 1 123 123 GLN CA C 13 51.763 0.3 . 1 . . . . 399 GLN CA . 7414 1
1384 . 1 1 123 123 GLN CB C 13 32.028 0.3 . 1 . . . . 399 GLN CB . 7414 1
1385 . 1 1 123 123 GLN CG C 13 38.805 0.3 . 1 . . . . 399 GLN CG . 7414 1
1386 . 1 1 123 123 GLN N N 15 121.071 0.3 . 1 . . . . 399 GLN N . 7414 1
1387 . 1 1 123 123 GLN NE2 N 15 109.764 0.3 . 1 . . . . 399 GLN NE2 . 7414 1
1388 . 1 1 124 124 TYR H H 1 8.968 0.020 . 1 . . . . 400 TYR H . 7414 1
1389 . 1 1 124 124 TYR HA H 1 5.882 0.020 . 1 . . . . 400 TYR HA . 7414 1
1390 . 1 1 124 124 TYR HB2 H 1 2.694 0.020 . 2 . . . . 400 TYR HB2 . 7414 1
1391 . 1 1 124 124 TYR HB3 H 1 2.140 0.020 . 2 . . . . 400 TYR HB3 . 7414 1
1392 . 1 1 124 124 TYR HD1 H 1 6.763 0.020 . 1 . . . . 400 TYR HD1 . 7414 1
1393 . 1 1 124 124 TYR HE1 H 1 6.709 0.020 . 1 . . . . 400 TYR HE1 . 7414 1
1394 . 1 1 124 124 TYR C C 13 169.469 0.3 . 1 . . . . 400 TYR C . 7414 1
1395 . 1 1 124 124 TYR CA C 13 53.327 0.3 . 1 . . . . 400 TYR CA . 7414 1
1396 . 1 1 124 124 TYR CB C 13 39.187 0.3 . 1 . . . . 400 TYR CB . 7414 1
1397 . 1 1 124 124 TYR N N 15 114.079 0.3 . 1 . . . . 400 TYR N . 7414 1
1398 . 1 1 125 125 TRP H H 1 9.284 0.020 . 1 . . . . 401 TRP H . 7414 1
1399 . 1 1 125 125 TRP HA H 1 4.234 0.020 . 1 . . . . 401 TRP HA . 7414 1
1400 . 1 1 125 125 TRP HB2 H 1 3.574 0.020 . 2 . . . . 401 TRP HB2 . 7414 1
1401 . 1 1 125 125 TRP HB3 H 1 2.858 0.020 . 2 . . . . 401 TRP HB3 . 7414 1
1402 . 1 1 125 125 TRP HE1 H 1 10.336 0.020 . 1 . . . . 401 TRP HE1 . 7414 1
1403 . 1 1 125 125 TRP CA C 13 55.263 0.3 . 1 . . . . 401 TRP CA . 7414 1
1404 . 1 1 125 125 TRP CB C 13 32.084 0.3 . 1 . . . . 401 TRP CB . 7414 1
1405 . 1 1 125 125 TRP N N 15 121.370 0.3 . 1 . . . . 401 TRP N . 7414 1
1406 . 1 1 125 125 TRP NE1 N 15 128.078 0.3 . 1 . . . . 401 TRP NE1 . 7414 1
1407 . 1 1 126 126 ARG H H 1 7.891 0.020 . 1 . . . . 402 ARG H . 7414 1
1408 . 1 1 126 126 ARG HA H 1 4.581 0.020 . 1 . . . . 402 ARG HA . 7414 1
1409 . 1 1 126 126 ARG HB2 H 1 0.945 0.020 . 1 . . . . 402 ARG HB2 . 7414 1
1410 . 1 1 126 126 ARG HD2 H 1 2.758 0.020 . 1 . . . . 402 ARG HD2 . 7414 1
1411 . 1 1 126 126 ARG HG2 H 1 1.236 0.020 . 1 . . . . 402 ARG HG2 . 7414 1
1412 . 1 1 126 126 ARG C C 13 168.745 0.3 . 1 . . . . 402 ARG C . 7414 1
1413 . 1 1 126 126 ARG CA C 13 51.042 0.3 . 1 . . . . 402 ARG CA . 7414 1
1414 . 1 1 126 126 ARG CB C 13 31.828 0.3 . 1 . . . . 402 ARG CB . 7414 1
1415 . 1 1 126 126 ARG CD C 13 38.783 0.3 . 1 . . . . 402 ARG CD . 7414 1
1416 . 1 1 126 126 ARG CG C 13 20.117 0.3 . 1 . . . . 402 ARG CG . 7414 1
1417 . 1 1 126 126 ARG N N 15 121.426 0.3 . 1 . . . . 402 ARG N . 7414 1
1418 . 1 1 127 127 TYR H H 1 9.538 0.020 . 1 . . . . 403 TYR H . 7414 1
1419 . 1 1 127 127 TYR HA H 1 4.454 0.020 . 1 . . . . 403 TYR HA . 7414 1
1420 . 1 1 127 127 TYR HB2 H 1 2.695 0.020 . 1 . . . . 403 TYR HB2 . 7414 1
1421 . 1 1 127 127 TYR C C 13 171.133 0.3 . 1 . . . . 403 TYR C . 7414 1
1422 . 1 1 127 127 TYR CA C 13 54.842 0.3 . 1 . . . . 403 TYR CA . 7414 1
1423 . 1 1 127 127 TYR CB C 13 40.128 0.3 . 1 . . . . 403 TYR CB . 7414 1
1424 . 1 1 127 127 TYR N N 15 129.386 0.3 . 1 . . . . 403 TYR N . 7414 1
1425 . 1 1 128 128 ASP H H 1 8.186 0.020 . 1 . . . . 404 ASP H . 7414 1
1426 . 1 1 128 128 ASP HA H 1 4.430 0.020 . 1 . . . . 404 ASP HA . 7414 1
1427 . 1 1 128 128 ASP HB2 H 1 2.914 0.020 . 2 . . . . 404 ASP HB2 . 7414 1
1428 . 1 1 128 128 ASP HB3 H 1 2.586 0.020 . 2 . . . . 404 ASP HB3 . 7414 1
1429 . 1 1 128 128 ASP C C 13 173.865 0.3 . 1 . . . . 404 ASP C . 7414 1
1430 . 1 1 128 128 ASP CA C 13 50.239 0.3 . 1 . . . . 404 ASP CA . 7414 1
1431 . 1 1 128 128 ASP CB C 13 37.374 0.3 . 1 . . . . 404 ASP CB . 7414 1
1432 . 1 1 128 128 ASP N N 15 127.039 0.3 . 1 . . . . 404 ASP N . 7414 1
1433 . 1 1 129 129 GLU H H 1 7.384 0.020 . 1 . . . . 405 GLU H . 7414 1
1434 . 1 1 129 129 GLU HA H 1 4.235 0.020 . 1 . . . . 405 GLU HA . 7414 1
1435 . 1 1 129 129 GLU HB2 H 1 2.250 0.020 . 1 . . . . 405 GLU HB2 . 7414 1
1436 . 1 1 129 129 GLU HG2 H 1 2.389 0.020 . 1 . . . . 405 GLU HG2 . 7414 1
1437 . 1 1 129 129 GLU C C 13 176.201 0.3 . 1 . . . . 405 GLU C . 7414 1
1438 . 1 1 129 129 GLU CA C 13 54.683 0.3 . 1 . . . . 405 GLU CA . 7414 1
1439 . 1 1 129 129 GLU CB C 13 26.494 0.3 . 1 . . . . 405 GLU CB . 7414 1
1440 . 1 1 129 129 GLU CG C 13 30.647 0.3 . 1 . . . . 405 GLU CG . 7414 1
1441 . 1 1 129 129 GLU N N 15 123.481 0.3 . 1 . . . . 405 GLU N . 7414 1
1442 . 1 1 130 130 ARG H H 1 8.858 0.020 . 1 . . . . 406 ARG H . 7414 1
1443 . 1 1 130 130 ARG HA H 1 4.180 0.020 . 1 . . . . 406 ARG HA . 7414 1
1444 . 1 1 130 130 ARG HB2 H 1 1.869 0.020 . 2 . . . . 406 ARG HB2 . 7414 1
1445 . 1 1 130 130 ARG HB3 H 1 1.756 0.020 . 2 . . . . 406 ARG HB3 . 7414 1
1446 . 1 1 130 130 ARG HD2 H 1 2.915 0.020 . 2 . . . . 406 ARG HD2 . 7414 1
1447 . 1 1 130 130 ARG HD3 H 1 2.802 0.020 . 2 . . . . 406 ARG HD3 . 7414 1
1448 . 1 1 130 130 ARG HG2 H 1 1.554 0.020 . 2 . . . . 406 ARG HG2 . 7414 1
1449 . 1 1 130 130 ARG HG3 H 1 1.319 0.020 . 2 . . . . 406 ARG HG3 . 7414 1
1450 . 1 1 130 130 ARG C C 13 175.337 0.3 . 1 . . . . 406 ARG C . 7414 1
1451 . 1 1 130 130 ARG CA C 13 55.932 0.3 . 1 . . . . 406 ARG CA . 7414 1
1452 . 1 1 130 130 ARG CB C 13 26.494 0.3 . 1 . . . . 406 ARG CB . 7414 1
1453 . 1 1 130 130 ARG CD C 13 40.050 0.3 . 1 . . . . 406 ARG CD . 7414 1
1454 . 1 1 130 130 ARG CG C 13 24.683 0.3 . 1 . . . . 406 ARG CG . 7414 1
1455 . 1 1 130 130 ARG N N 15 119.527 0.3 . 1 . . . . 406 ARG N . 7414 1
1456 . 1 1 131 131 ARG H H 1 7.311 0.020 . 1 . . . . 407 ARG H . 7414 1
1457 . 1 1 131 131 ARG HA H 1 4.014 0.020 . 1 . . . . 407 ARG HA . 7414 1
1458 . 1 1 131 131 ARG HB2 H 1 1.703 0.020 . 2 . . . . 407 ARG HB2 . 7414 1
1459 . 1 1 131 131 ARG HB3 H 1 1.152 0.020 . 2 . . . . 407 ARG HB3 . 7414 1
1460 . 1 1 131 131 ARG HD2 H 1 3.048 0.020 . 1 . . . . 407 ARG HD2 . 7414 1
1461 . 1 1 131 131 ARG HG2 H 1 1.535 0.020 . 2 . . . . 407 ARG HG2 . 7414 1
1462 . 1 1 131 131 ARG HG3 H 1 1.375 0.020 . 2 . . . . 407 ARG HG3 . 7414 1
1463 . 1 1 131 131 ARG C C 13 172.536 0.3 . 1 . . . . 407 ARG C . 7414 1
1464 . 1 1 131 131 ARG CA C 13 53.082 0.3 . 1 . . . . 407 ARG CA . 7414 1
1465 . 1 1 131 131 ARG CB C 13 28.002 0.3 . 1 . . . . 407 ARG CB . 7414 1
1466 . 1 1 131 131 ARG CD C 13 40.077 0.3 . 1 . . . . 407 ARG CD . 7414 1
1467 . 1 1 131 131 ARG CG C 13 24.635 0.3 . 1 . . . . 407 ARG CG . 7414 1
1468 . 1 1 131 131 ARG N N 15 116.427 0.3 . 1 . . . . 407 ARG N . 7414 1
1469 . 1 1 132 132 GLN H H 1 7.812 0.020 . 1 . . . . 408 GLN H . 7414 1
1470 . 1 1 132 132 GLN HA H 1 3.388 0.020 . 1 . . . . 408 GLN HA . 7414 1
1471 . 1 1 132 132 GLN HB2 H 1 2.141 0.020 . 2 . . . . 408 GLN HB2 . 7414 1
1472 . 1 1 132 132 GLN HB3 H 1 1.922 0.020 . 2 . . . . 408 GLN HB3 . 7414 1
1473 . 1 1 132 132 GLN HE21 H 1 7.788 0.020 . 1 . . . . 408 GLN HE21 . 7414 1
1474 . 1 1 132 132 GLN HE22 H 1 6.730 0.020 . 1 . . . . 408 GLN HE22 . 7414 1
1475 . 1 1 132 132 GLN HG2 H 1 2.089 0.020 . 1 . . . . 408 GLN HG2 . 7414 1
1476 . 1 1 132 132 GLN C C 13 171.234 0.3 . 1 . . . . 408 GLN C . 7414 1
1477 . 1 1 132 132 GLN CA C 13 53.760 0.3 . 1 . . . . 408 GLN CA . 7414 1
1478 . 1 1 132 132 GLN CB C 13 22.307 0.3 . 1 . . . . 408 GLN CB . 7414 1
1479 . 1 1 132 132 GLN CG C 13 31.337 0.3 . 1 . . . . 408 GLN CG . 7414 1
1480 . 1 1 132 132 GLN N N 15 115.450 0.3 . 1 . . . . 408 GLN N . 7414 1
1481 . 1 1 132 132 GLN NE2 N 15 113.605 0.3 . 1 . . . . 408 GLN NE2 . 7414 1
1482 . 1 1 133 133 MET H H 1 6.761 0.020 . 1 . . . . 409 MET H . 7414 1
1483 . 1 1 133 133 MET HA H 1 4.509 0.020 . 1 . . . . 409 MET HA . 7414 1
1484 . 1 1 133 133 MET HB2 H 1 1.860 0.020 . 2 . . . . 409 MET HB2 . 7414 1
1485 . 1 1 133 133 MET HB3 H 1 1.593 0.020 . 2 . . . . 409 MET HB3 . 7414 1
1486 . 1 1 133 133 MET HG2 H 1 2.201 0.020 . 1 . . . . 409 MET HG2 . 7414 1
1487 . 1 1 133 133 MET C C 13 171.546 0.3 . 1 . . . . 409 MET C . 7414 1
1488 . 1 1 133 133 MET CA C 13 51.054 0.3 . 1 . . . . 409 MET CA . 7414 1
1489 . 1 1 133 133 MET CB C 13 33.787 0.3 . 1 . . . . 409 MET CB . 7414 1
1490 . 1 1 133 133 MET CG C 13 27.446 0.3 . 1 . . . . 409 MET CG . 7414 1
1491 . 1 1 133 133 MET N N 15 113.536 0.3 . 1 . . . . 409 MET N . 7414 1
1492 . 1 1 134 134 MET H H 1 8.879 0.020 . 1 . . . . 410 MET H . 7414 1
1493 . 1 1 134 134 MET HA H 1 4.562 0.020 . 1 . . . . 410 MET HA . 7414 1
1494 . 1 1 134 134 MET HB2 H 1 2.089 0.020 . 2 . . . . 410 MET HB2 . 7414 1
1495 . 1 1 134 134 MET HB3 H 1 2.034 0.020 . 2 . . . . 410 MET HB3 . 7414 1
1496 . 1 1 134 134 MET HG2 H 1 1.651 0.020 . 1 . . . . 410 MET HG2 . 7414 1
1497 . 1 1 134 134 MET C C 13 174.400 0.3 . 1 . . . . 410 MET C . 7414 1
1498 . 1 1 134 134 MET CA C 13 52.316 0.3 . 1 . . . . 410 MET CA . 7414 1
1499 . 1 1 134 134 MET CB C 13 29.010 0.3 . 1 . . . . 410 MET CB . 7414 1
1500 . 1 1 134 134 MET CG C 13 23.732 0.3 . 1 . . . . 410 MET CG . 7414 1
1501 . 1 1 134 134 MET N N 15 122.251 0.3 . 1 . . . . 410 MET N . 7414 1
1502 . 1 1 135 135 ASP H H 1 8.509 0.020 . 1 . . . . 411 ASP H . 7414 1
1503 . 1 1 135 135 ASP HA H 1 4.842 0.020 . 1 . . . . 411 ASP HA . 7414 1
1504 . 1 1 135 135 ASP HB2 H 1 2.750 0.020 . 2 . . . . 411 ASP HB2 . 7414 1
1505 . 1 1 135 135 ASP HB3 H 1 2.481 0.020 . 2 . . . . 411 ASP HB3 . 7414 1
1506 . 1 1 135 135 ASP CA C 13 50.687 0.3 . 1 . . . . 411 ASP CA . 7414 1
1507 . 1 1 135 135 ASP CB C 13 37.169 0.3 . 1 . . . . 411 ASP CB . 7414 1
1508 . 1 1 135 135 ASP N N 15 125.884 0.3 . 1 . . . . 411 ASP N . 7414 1
1509 . 1 1 136 136 PRO HA H 1 4.521 0.020 . 1 . . . . 412 PRO HA . 7414 1
1510 . 1 1 136 136 PRO HB2 H 1 1.818 0.020 . 2 . . . . 412 PRO HB2 . 7414 1
1511 . 1 1 136 136 PRO HB3 H 1 2.213 0.020 . 2 . . . . 412 PRO HB3 . 7414 1
1512 . 1 1 136 136 PRO HD2 H 1 3.629 0.020 . 1 . . . . 412 PRO HD2 . 7414 1
1513 . 1 1 136 136 PRO HG2 H 1 1.926 0.020 . 2 . . . . 412 PRO HG2 . 7414 1
1514 . 1 1 136 136 PRO HG3 H 1 1.541 0.020 . 2 . . . . 412 PRO HG3 . 7414 1
1515 . 1 1 136 136 PRO C C 13 174.906 0.3 . 1 . . . . 412 PRO C . 7414 1
1516 . 1 1 136 136 PRO CA C 13 59.820 0.3 . 1 . . . . 412 PRO CA . 7414 1
1517 . 1 1 136 136 PRO CB C 13 29.100 0.3 . 1 . . . . 412 PRO CB . 7414 1
1518 . 1 1 136 136 PRO CD C 13 47.400 0.3 . 1 . . . . 412 PRO CD . 7414 1
1519 . 1 1 136 136 PRO CG C 13 23.691 0.3 . 1 . . . . 412 PRO CG . 7414 1
1520 . 1 1 137 137 GLY H H 1 8.550 0.020 . 1 . . . . 413 GLY H . 7414 1
1521 . 1 1 137 137 GLY HA2 H 1 3.704 0.020 . 2 . . . . 413 GLY HA2 . 7414 1
1522 . 1 1 137 137 GLY HA3 H 1 3.407 0.020 . 2 . . . . 413 GLY HA3 . 7414 1
1523 . 1 1 137 137 GLY C C 13 170.199 0.3 . 1 . . . . 413 GLY C . 7414 1
1524 . 1 1 137 137 GLY CA C 13 42.299 0.3 . 1 . . . . 413 GLY CA . 7414 1
1525 . 1 1 137 137 GLY N N 15 107.392 0.3 . 1 . . . . 413 GLY N . 7414 1
1526 . 1 1 138 138 TYR H H 1 7.658 0.020 . 1 . . . . 414 TYR H . 7414 1
1527 . 1 1 138 138 TYR HA H 1 3.740 0.020 . 1 . . . . 414 TYR HA . 7414 1
1528 . 1 1 138 138 TYR HB2 H 1 1.812 0.020 . 2 . . . . 414 TYR HB2 . 7414 1
1529 . 1 1 138 138 TYR HB3 H 1 2.252 0.020 . 2 . . . . 414 TYR HB3 . 7414 1
1530 . 1 1 138 138 TYR HD1 H 1 7.262 0.020 . 3 . . . . 414 TYR HD1 . 7414 1
1531 . 1 1 138 138 TYR HD2 H 1 7.153 0.020 . 3 . . . . 414 TYR HD2 . 7414 1
1532 . 1 1 138 138 TYR HE1 H 1 6.877 0.020 . 3 . . . . 414 TYR HE1 . 7414 1
1533 . 1 1 138 138 TYR HE2 H 1 6.822 0.020 . 3 . . . . 414 TYR HE2 . 7414 1
1534 . 1 1 138 138 TYR CA C 13 53.841 0.3 . 1 . . . . 414 TYR CA . 7414 1
1535 . 1 1 138 138 TYR CB C 13 35.642 0.3 . 1 . . . . 414 TYR CB . 7414 1
1536 . 1 1 138 138 TYR N N 15 117.876 0.3 . 1 . . . . 414 TYR N . 7414 1
1537 . 1 1 139 139 PRO HA H 1 3.947 0.020 . 1 . . . . 415 PRO HA . 7414 1
1538 . 1 1 139 139 PRO HB2 H 1 1.015 0.020 . 2 . . . . 415 PRO HB2 . 7414 1
1539 . 1 1 139 139 PRO HB3 H 1 -0.466 0.020 . 2 . . . . 415 PRO HB3 . 7414 1
1540 . 1 1 139 139 PRO HD2 H 1 3.134 0.020 . 1 . . . . 415 PRO HD2 . 7414 1
1541 . 1 1 139 139 PRO HG2 H 1 1.454 0.020 . 2 . . . . 415 PRO HG2 . 7414 1
1542 . 1 1 139 139 PRO HG3 H 1 1.344 0.020 . 2 . . . . 415 PRO HG3 . 7414 1
1543 . 1 1 139 139 PRO C C 13 172.835 0.3 . 1 . . . . 415 PRO C . 7414 1
1544 . 1 1 139 139 PRO CA C 13 57.929 0.3 . 1 . . . . 415 PRO CA . 7414 1
1545 . 1 1 139 139 PRO CB C 13 31.578 0.3 . 1 . . . . 415 PRO CB . 7414 1
1546 . 1 1 139 139 PRO CD C 13 47.893 0.3 . 1 . . . . 415 PRO CD . 7414 1
1547 . 1 1 139 139 PRO CG C 13 21.229 0.3 . 1 . . . . 415 PRO CG . 7414 1
1548 . 1 1 140 140 LYS H H 1 7.631 0.020 . 1 . . . . 416 LYS H . 7414 1
1549 . 1 1 140 140 LYS HA H 1 4.397 0.020 . 1 . . . . 416 LYS HA . 7414 1
1550 . 1 1 140 140 LYS HB2 H 1 1.540 0.020 . 2 . . . . 416 LYS HB2 . 7414 1
1551 . 1 1 140 140 LYS HB3 H 1 0.800 0.020 . 2 . . . . 416 LYS HB3 . 7414 1
1552 . 1 1 140 140 LYS HD2 H 1 1.033 0.020 . 1 . . . . 416 LYS HD2 . 7414 1
1553 . 1 1 140 140 LYS HE2 H 1 2.364 0.020 . 2 . . . . 416 LYS HE2 . 7414 1
1554 . 1 1 140 140 LYS HE3 H 1 1.704 0.020 . 2 . . . . 416 LYS HE3 . 7414 1
1555 . 1 1 140 140 LYS HG2 H 1 0.943 0.020 . 1 . . . . 416 LYS HG2 . 7414 1
1556 . 1 1 140 140 LYS C C 13 172.400 0.3 . 1 . . . . 416 LYS C . 7414 1
1557 . 1 1 140 140 LYS CA C 13 51.542 0.3 . 1 . . . . 416 LYS CA . 7414 1
1558 . 1 1 140 140 LYS CB C 13 34.389 0.3 . 1 . . . . 416 LYS CB . 7414 1
1559 . 1 1 140 140 LYS CD C 13 25.639 0.3 . 1 . . . . 416 LYS CD . 7414 1
1560 . 1 1 140 140 LYS CE C 13 38.796 0.3 . 1 . . . . 416 LYS CE . 7414 1
1561 . 1 1 140 140 LYS CG C 13 22.477 0.3 . 1 . . . . 416 LYS CG . 7414 1
1562 . 1 1 140 140 LYS N N 15 117.595 0.3 . 1 . . . . 416 LYS N . 7414 1
1563 . 1 1 141 141 LEU H H 1 8.541 0.020 . 1 . . . . 417 LEU H . 7414 1
1564 . 1 1 141 141 LEU HA H 1 4.782 0.020 . 1 . . . . 417 LEU HA . 7414 1
1565 . 1 1 141 141 LEU HB2 H 1 1.642 0.020 . 2 . . . . 417 LEU HB2 . 7414 1
1566 . 1 1 141 141 LEU HB3 H 1 1.553 0.020 . 2 . . . . 417 LEU HB3 . 7414 1
1567 . 1 1 141 141 LEU HD11 H 1 1.703 0.020 . 1 . . . . 417 LEU HD1 . 7414 1
1568 . 1 1 141 141 LEU HD12 H 1 1.703 0.020 . 1 . . . . 417 LEU HD1 . 7414 1
1569 . 1 1 141 141 LEU HD13 H 1 1.703 0.020 . 1 . . . . 417 LEU HD1 . 7414 1
1570 . 1 1 141 141 LEU HD21 H 1 0.819 0.020 . 1 . . . . 417 LEU HD2 . 7414 1
1571 . 1 1 141 141 LEU HD22 H 1 0.819 0.020 . 1 . . . . 417 LEU HD2 . 7414 1
1572 . 1 1 141 141 LEU HD23 H 1 0.819 0.020 . 1 . . . . 417 LEU HD2 . 7414 1
1573 . 1 1 141 141 LEU HG H 1 1.714 0.020 . 1 . . . . 417 LEU HG . 7414 1
1574 . 1 1 141 141 LEU C C 13 177.079 0.3 . 1 . . . . 417 LEU C . 7414 1
1575 . 1 1 141 141 LEU CA C 13 51.993 0.3 . 1 . . . . 417 LEU CA . 7414 1
1576 . 1 1 141 141 LEU CB C 13 39.315 0.3 . 1 . . . . 417 LEU CB . 7414 1
1577 . 1 1 141 141 LEU CD1 C 13 22.032 0.3 . 1 . . . . 417 LEU CD1 . 7414 1
1578 . 1 1 141 141 LEU CD2 C 13 20.245 0.3 . 1 . . . . 417 LEU CD2 . 7414 1
1579 . 1 1 141 141 LEU CG C 13 23.820 0.3 . 1 . . . . 417 LEU CG . 7414 1
1580 . 1 1 141 141 LEU N N 15 119.163 0.3 . 1 . . . . 417 LEU N . 7414 1
1581 . 1 1 142 142 ILE H H 1 8.677 0.020 . 1 . . . . 418 ILE H . 7414 1
1582 . 1 1 142 142 ILE HA H 1 3.765 0.020 . 1 . . . . 418 ILE HA . 7414 1
1583 . 1 1 142 142 ILE HB H 1 1.869 0.020 . 1 . . . . 418 ILE HB . 7414 1
1584 . 1 1 142 142 ILE HD11 H 1 1.275 0.020 . 1 . . . . 418 ILE HD1 . 7414 1
1585 . 1 1 142 142 ILE HD12 H 1 1.275 0.020 . 1 . . . . 418 ILE HD1 . 7414 1
1586 . 1 1 142 142 ILE HD13 H 1 1.275 0.020 . 1 . . . . 418 ILE HD1 . 7414 1
1587 . 1 1 142 142 ILE HG12 H 1 0.940 0.020 . 1 . . . . 418 ILE HG12 . 7414 1
1588 . 1 1 142 142 ILE HG21 H 1 1.252 0.020 . 1 . . . . 418 ILE HG2 . 7414 1
1589 . 1 1 142 142 ILE HG22 H 1 1.252 0.020 . 1 . . . . 418 ILE HG2 . 7414 1
1590 . 1 1 142 142 ILE HG23 H 1 1.252 0.020 . 1 . . . . 418 ILE HG2 . 7414 1
1591 . 1 1 142 142 ILE C C 13 175.959 0.3 . 1 . . . . 418 ILE C . 7414 1
1592 . 1 1 142 142 ILE CA C 13 64.214 0.3 . 1 . . . . 418 ILE CA . 7414 1
1593 . 1 1 142 142 ILE CB C 13 36.270 0.3 . 1 . . . . 418 ILE CB . 7414 1
1594 . 1 1 142 142 ILE CD1 C 13 12.451 0.3 . 1 . . . . 418 ILE CD1 . 7414 1
1595 . 1 1 142 142 ILE CG1 C 13 27.495 0.3 . 1 . . . . 418 ILE CG1 . 7414 1
1596 . 1 1 142 142 ILE CG2 C 13 13.380 0.3 . 1 . . . . 418 ILE CG2 . 7414 1
1597 . 1 1 142 142 ILE N N 15 126.257 0.3 . 1 . . . . 418 ILE N . 7414 1
1598 . 1 1 143 143 THR H H 1 9.119 0.020 . 1 . . . . 419 THR H . 7414 1
1599 . 1 1 143 143 THR HA H 1 4.135 0.020 . 1 . . . . 419 THR HA . 7414 1
1600 . 1 1 143 143 THR HB H 1 4.125 0.020 . 1 . . . . 419 THR HB . 7414 1
1601 . 1 1 143 143 THR HG21 H 1 1.308 0.020 . 1 . . . . 419 THR HG2 . 7414 1
1602 . 1 1 143 143 THR HG22 H 1 1.308 0.020 . 1 . . . . 419 THR HG2 . 7414 1
1603 . 1 1 143 143 THR HG23 H 1 1.308 0.020 . 1 . . . . 419 THR HG2 . 7414 1
1604 . 1 1 143 143 THR C C 13 173.742 0.3 . 1 . . . . 419 THR C . 7414 1
1605 . 1 1 143 143 THR CA C 13 61.411 0.3 . 1 . . . . 419 THR CA . 7414 1
1606 . 1 1 143 143 THR CB C 13 65.649 0.3 . 1 . . . . 419 THR CB . 7414 1
1607 . 1 1 143 143 THR CG2 C 13 17.254 0.3 . 1 . . . . 419 THR CG2 . 7414 1
1608 . 1 1 143 143 THR N N 15 109.043 0.3 . 1 . . . . 419 THR N . 7414 1
1609 . 1 1 144 144 LYS H H 1 6.356 0.020 . 1 . . . . 420 LYS H . 7414 1
1610 . 1 1 144 144 LYS HA H 1 4.181 0.020 . 1 . . . . 420 LYS HA . 7414 1
1611 . 1 1 144 144 LYS HB2 H 1 1.657 0.020 . 1 . . . . 420 LYS HB2 . 7414 1
1612 . 1 1 144 144 LYS HD2 H 1 1.596 0.020 . 1 . . . . 420 LYS HD2 . 7414 1
1613 . 1 1 144 144 LYS HE2 H 1 2.859 0.020 . 1 . . . . 420 LYS HE2 . 7414 1
1614 . 1 1 144 144 LYS HG2 H 1 1.431 0.020 . 2 . . . . 420 LYS HG2 . 7414 1
1615 . 1 1 144 144 LYS HG3 H 1 1.319 0.020 . 2 . . . . 420 LYS HG3 . 7414 1
1616 . 1 1 144 144 LYS C C 13 173.401 0.3 . 1 . . . . 420 LYS C . 7414 1
1617 . 1 1 144 144 LYS CA C 13 53.182 0.3 . 1 . . . . 420 LYS CA . 7414 1
1618 . 1 1 144 144 LYS CB C 13 30.091 0.3 . 1 . . . . 420 LYS CB . 7414 1
1619 . 1 1 144 144 LYS CD C 13 25.492 0.3 . 1 . . . . 420 LYS CD . 7414 1
1620 . 1 1 144 144 LYS CE C 13 38.878 0.3 . 1 . . . . 420 LYS CE . 7414 1
1621 . 1 1 144 144 LYS CG C 13 21.668 0.3 . 1 . . . . 420 LYS CG . 7414 1
1622 . 1 1 144 144 LYS N N 15 115.478 0.3 . 1 . . . . 420 LYS N . 7414 1
1623 . 1 1 145 145 ASN H H 1 7.311 0.020 . 1 . . . . 421 ASN H . 7414 1
1624 . 1 1 145 145 ASN HA H 1 4.580 0.020 . 1 . . . . 421 ASN HA . 7414 1
1625 . 1 1 145 145 ASN HB2 H 1 2.444 0.020 . 2 . . . . 421 ASN HB2 . 7414 1
1626 . 1 1 145 145 ASN HB3 H 1 2.259 0.020 . 2 . . . . 421 ASN HB3 . 7414 1
1627 . 1 1 145 145 ASN C C 13 170.363 0.3 . 1 . . . . 421 ASN C . 7414 1
1628 . 1 1 145 145 ASN CA C 13 51.715 0.3 . 1 . . . . 421 ASN CA . 7414 1
1629 . 1 1 145 145 ASN CB C 13 40.881 0.3 . 1 . . . . 421 ASN CB . 7414 1
1630 . 1 1 145 145 ASN N N 15 116.053 0.3 . 1 . . . . 421 ASN N . 7414 1
1631 . 1 1 146 146 PHE H H 1 8.228 0.020 . 1 . . . . 422 PHE H . 7414 1
1632 . 1 1 146 146 PHE HA H 1 4.400 0.020 . 1 . . . . 422 PHE HA . 7414 1
1633 . 1 1 146 146 PHE HB2 H 1 2.302 0.020 . 1 . . . . 422 PHE HB2 . 7414 1
1634 . 1 1 146 146 PHE HD1 H 1 6.554 0.020 . 1 . . . . 422 PHE HD1 . 7414 1
1635 . 1 1 146 146 PHE C C 13 170.774 0.3 . 1 . . . . 422 PHE C . 7414 1
1636 . 1 1 146 146 PHE CA C 13 52.842 0.3 . 1 . . . . 422 PHE CA . 7414 1
1637 . 1 1 146 146 PHE CB C 13 34.720 0.3 . 1 . . . . 422 PHE CB . 7414 1
1638 . 1 1 146 146 PHE N N 15 121.426 0.3 . 1 . . . . 422 PHE N . 7414 1
1639 . 1 1 147 147 GLN H H 1 7.939 0.020 . 1 . . . . 423 GLN H . 7414 1
1640 . 1 1 147 147 GLN HA H 1 3.849 0.020 . 1 . . . . 423 GLN HA . 7414 1
1641 . 1 1 147 147 GLN HB2 H 1 2.033 0.020 . 1 . . . . 423 GLN HB2 . 7414 1
1642 . 1 1 147 147 GLN HG2 H 1 2.309 0.020 . 2 . . . . 423 GLN HG2 . 7414 1
1643 . 1 1 147 147 GLN HG3 H 1 2.207 0.020 . 2 . . . . 423 GLN HG3 . 7414 1
1644 . 1 1 147 147 GLN C C 13 174.269 0.3 . 1 . . . . 423 GLN C . 7414 1
1645 . 1 1 147 147 GLN CA C 13 55.275 0.3 . 1 . . . . 423 GLN CA . 7414 1
1646 . 1 1 147 147 GLN CB C 13 25.048 0.3 . 1 . . . . 423 GLN CB . 7414 1
1647 . 1 1 147 147 GLN CG C 13 30.613 0.3 . 1 . . . . 423 GLN CG . 7414 1
1648 . 1 1 147 147 GLN N N 15 120.931 0.3 . 1 . . . . 423 GLN N . 7414 1
1649 . 1 1 148 148 GLY H H 1 8.762 0.020 . 1 . . . . 424 GLY H . 7414 1
1650 . 1 1 148 148 GLY HA2 H 1 3.963 0.020 . 2 . . . . 424 GLY HA2 . 7414 1
1651 . 1 1 148 148 GLY HA3 H 1 3.354 0.020 . 2 . . . . 424 GLY HA3 . 7414 1
1652 . 1 1 148 148 GLY C C 13 170.466 0.3 . 1 . . . . 424 GLY C . 7414 1
1653 . 1 1 148 148 GLY CA C 13 41.893 0.3 . 1 . . . . 424 GLY CA . 7414 1
1654 . 1 1 148 148 GLY N N 15 113.996 0.3 . 1 . . . . 424 GLY N . 7414 1
1655 . 1 1 149 149 ILE H H 1 7.617 0.020 . 1 . . . . 425 ILE H . 7414 1
1656 . 1 1 149 149 ILE HA H 1 3.629 0.020 . 1 . . . . 425 ILE HA . 7414 1
1657 . 1 1 149 149 ILE HB H 1 1.305 0.020 . 1 . . . . 425 ILE HB . 7414 1
1658 . 1 1 149 149 ILE HD11 H 1 -0.112 0.020 . 1 . . . . 425 ILE HD1 . 7414 1
1659 . 1 1 149 149 ILE HD12 H 1 -0.112 0.020 . 1 . . . . 425 ILE HD1 . 7414 1
1660 . 1 1 149 149 ILE HD13 H 1 -0.112 0.020 . 1 . . . . 425 ILE HD1 . 7414 1
1661 . 1 1 149 149 ILE HG12 H 1 0.658 0.020 . 2 . . . . 425 ILE HG12 . 7414 1
1662 . 1 1 149 149 ILE HG13 H 1 -0.215 0.020 . 2 . . . . 425 ILE HG13 . 7414 1
1663 . 1 1 149 149 ILE HG21 H 1 -0.780 0.020 . 1 . . . . 425 ILE HG2 . 7414 1
1664 . 1 1 149 149 ILE HG22 H 1 -0.780 0.020 . 1 . . . . 425 ILE HG2 . 7414 1
1665 . 1 1 149 149 ILE HG23 H 1 -0.780 0.020 . 1 . . . . 425 ILE HG2 . 7414 1
1666 . 1 1 149 149 ILE C C 13 172.472 0.3 . 1 . . . . 425 ILE C . 7414 1
1667 . 1 1 149 149 ILE CA C 13 53.438 0.3 . 1 . . . . 425 ILE CA . 7414 1
1668 . 1 1 149 149 ILE CB C 13 32.277 0.3 . 1 . . . . 425 ILE CB . 7414 1
1669 . 1 1 149 149 ILE CD1 C 13 5.951 0.3 . 1 . . . . 425 ILE CD1 . 7414 1
1670 . 1 1 149 149 ILE CG1 C 13 22.371 0.3 . 1 . . . . 425 ILE CG1 . 7414 1
1671 . 1 1 149 149 ILE CG2 C 13 12.559 0.3 . 1 . . . . 425 ILE CG2 . 7414 1
1672 . 1 1 149 149 ILE N N 15 122.994 0.3 . 1 . . . . 425 ILE N . 7414 1
1673 . 1 1 150 150 GLY H H 1 8.810 0.020 . 1 . . . . 426 GLY H . 7414 1
1674 . 1 1 150 150 GLY HA2 H 1 3.843 0.020 . 2 . . . . 426 GLY HA2 . 7414 1
1675 . 1 1 150 150 GLY HA3 H 1 2.914 0.020 . 2 . . . . 426 GLY HA3 . 7414 1
1676 . 1 1 150 150 GLY CA C 13 39.790 0.3 . 1 . . . . 426 GLY CA . 7414 1
1677 . 1 1 150 150 GLY N N 15 110.942 0.3 . 1 . . . . 426 GLY N . 7414 1
1678 . 1 1 151 151 PRO HA H 1 4.106 0.020 . 1 . . . . 427 PRO HA . 7414 1
1679 . 1 1 151 151 PRO HB2 H 1 2.248 0.020 . 2 . . . . 427 PRO HB2 . 7414 1
1680 . 1 1 151 151 PRO HB3 H 1 2.141 0.020 . 2 . . . . 427 PRO HB3 . 7414 1
1681 . 1 1 151 151 PRO HD2 H 1 3.476 0.020 . 2 . . . . 427 PRO HD2 . 7414 1
1682 . 1 1 151 151 PRO HD3 H 1 3.338 0.020 . 2 . . . . 427 PRO HD3 . 7414 1
1683 . 1 1 151 151 PRO HG2 H 1 1.859 0.020 . 2 . . . . 427 PRO HG2 . 7414 1
1684 . 1 1 151 151 PRO HG3 H 1 1.683 0.020 . 2 . . . . 427 PRO HG3 . 7414 1
1685 . 1 1 151 151 PRO C C 13 170.204 0.3 . 1 . . . . 427 PRO C . 7414 1
1686 . 1 1 151 151 PRO CA C 13 61.665 0.3 . 1 . . . . 427 PRO CA . 7414 1
1687 . 1 1 151 151 PRO CB C 13 31.552 0.3 . 1 . . . . 427 PRO CB . 7414 1
1688 . 1 1 151 151 PRO CD C 13 47.301 0.3 . 1 . . . . 427 PRO CD . 7414 1
1689 . 1 1 151 151 PRO CG C 13 21.314 0.3 . 1 . . . . 427 PRO CG . 7414 1
1690 . 1 1 152 152 LYS H H 1 7.473 0.020 . 1 . . . . 428 LYS H . 7414 1
1691 . 1 1 152 152 LYS HA H 1 4.675 0.020 . 1 . . . . 428 LYS HA . 7414 1
1692 . 1 1 152 152 LYS HB2 H 1 1.739 0.020 . 2 . . . . 428 LYS HB2 . 7414 1
1693 . 1 1 152 152 LYS HB3 H 1 1.538 0.020 . 2 . . . . 428 LYS HB3 . 7414 1
1694 . 1 1 152 152 LYS HD2 H 1 1.709 0.020 . 1 . . . . 428 LYS HD2 . 7414 1
1695 . 1 1 152 152 LYS HE2 H 1 2.898 0.020 . 1 . . . . 428 LYS HE2 . 7414 1
1696 . 1 1 152 152 LYS HG2 H 1 1.267 0.020 . 1 . . . . 428 LYS HG2 . 7414 1
1697 . 1 1 152 152 LYS C C 13 172.936 0.3 . 1 . . . . 428 LYS C . 7414 1
1698 . 1 1 152 152 LYS CA C 13 51.588 0.3 . 1 . . . . 428 LYS CA . 7414 1
1699 . 1 1 152 152 LYS CB C 13 31.355 0.3 . 1 . . . . 428 LYS CB . 7414 1
1700 . 1 1 152 152 LYS CD C 13 25.530 0.3 . 1 . . . . 428 LYS CD . 7414 1
1701 . 1 1 152 152 LYS CE C 13 39.274 0.3 . 1 . . . . 428 LYS CE . 7414 1
1702 . 1 1 152 152 LYS CG C 13 21.619 0.3 . 1 . . . . 428 LYS CG . 7414 1
1703 . 1 1 152 152 LYS N N 15 118.124 0.3 . 1 . . . . 428 LYS N . 7414 1
1704 . 1 1 153 153 ILE H H 1 10.175 0.020 . 1 . . . . 429 ILE H . 7414 1
1705 . 1 1 153 153 ILE HA H 1 4.250 0.020 . 1 . . . . 429 ILE HA . 7414 1
1706 . 1 1 153 153 ILE HB H 1 1.726 0.020 . 1 . . . . 429 ILE HB . 7414 1
1707 . 1 1 153 153 ILE HD11 H 1 -0.094 0.020 . 1 . . . . 429 ILE HD1 . 7414 1
1708 . 1 1 153 153 ILE HD12 H 1 -0.094 0.020 . 1 . . . . 429 ILE HD1 . 7414 1
1709 . 1 1 153 153 ILE HD13 H 1 -0.094 0.020 . 1 . . . . 429 ILE HD1 . 7414 1
1710 . 1 1 153 153 ILE HG12 H 1 1.043 0.020 . 2 . . . . 429 ILE HG12 . 7414 1
1711 . 1 1 153 153 ILE HG13 H 1 0.712 0.020 . 2 . . . . 429 ILE HG13 . 7414 1
1712 . 1 1 153 153 ILE HG21 H 1 0.548 0.020 . 1 . . . . 429 ILE HG2 . 7414 1
1713 . 1 1 153 153 ILE HG22 H 1 0.548 0.020 . 1 . . . . 429 ILE HG2 . 7414 1
1714 . 1 1 153 153 ILE HG23 H 1 0.548 0.020 . 1 . . . . 429 ILE HG2 . 7414 1
1715 . 1 1 153 153 ILE C C 13 172.733 0.3 . 1 . . . . 429 ILE C . 7414 1
1716 . 1 1 153 153 ILE CA C 13 56.608 0.3 . 1 . . . . 429 ILE CA . 7414 1
1717 . 1 1 153 153 ILE CB C 13 36.529 0.3 . 1 . . . . 429 ILE CB . 7414 1
1718 . 1 1 153 153 ILE CD1 C 13 9.519 0.3 . 1 . . . . 429 ILE CD1 . 7414 1
1719 . 1 1 153 153 ILE CG1 C 13 23.312 0.3 . 1 . . . . 429 ILE CG1 . 7414 1
1720 . 1 1 153 153 ILE CG2 C 13 15.557 0.3 . 1 . . . . 429 ILE CG2 . 7414 1
1721 . 1 1 153 153 ILE N N 15 127.039 0.3 . 1 . . . . 429 ILE N . 7414 1
1722 . 1 1 154 154 ASP H H 1 8.796 0.020 . 1 . . . . 430 ASP H . 7414 1
1723 . 1 1 154 154 ASP HA H 1 5.281 0.020 . 1 . . . . 430 ASP HA . 7414 1
1724 . 1 1 154 154 ASP HB2 H 1 3.329 0.020 . 2 . . . . 430 ASP HB2 . 7414 1
1725 . 1 1 154 154 ASP HB3 H 1 2.794 0.020 . 2 . . . . 430 ASP HB3 . 7414 1
1726 . 1 1 154 154 ASP C C 13 173.698 0.3 . 1 . . . . 430 ASP C . 7414 1
1727 . 1 1 154 154 ASP CA C 13 52.456 0.3 . 1 . . . . 430 ASP CA . 7414 1
1728 . 1 1 154 154 ASP CB C 13 38.193 0.3 . 1 . . . . 430 ASP CB . 7414 1
1729 . 1 1 154 154 ASP N N 15 122.955 0.3 . 1 . . . . 430 ASP N . 7414 1
1730 . 1 1 155 155 ALA H H 1 7.860 0.020 . 1 . . . . 431 ALA H . 7414 1
1731 . 1 1 155 155 ALA HA H 1 5.737 0.020 . 1 . . . . 431 ALA HA . 7414 1
1732 . 1 1 155 155 ALA HB1 H 1 1.373 0.020 . 1 . . . . 431 ALA HB . 7414 1
1733 . 1 1 155 155 ALA HB2 H 1 1.373 0.020 . 1 . . . . 431 ALA HB . 7414 1
1734 . 1 1 155 155 ALA HB3 H 1 1.373 0.020 . 1 . . . . 431 ALA HB . 7414 1
1735 . 1 1 155 155 ALA C C 13 172.004 0.3 . 1 . . . . 431 ALA C . 7414 1
1736 . 1 1 155 155 ALA CA C 13 48.369 0.3 . 1 . . . . 431 ALA CA . 7414 1
1737 . 1 1 155 155 ALA CB C 13 19.810 0.3 . 1 . . . . 431 ALA CB . 7414 1
1738 . 1 1 155 155 ALA N N 15 119.355 0.3 . 1 . . . . 431 ALA N . 7414 1
1739 . 1 1 156 156 VAL H H 1 8.523 0.020 . 1 . . . . 432 VAL H . 7414 1
1740 . 1 1 156 156 VAL HA H 1 5.883 0.020 . 1 . . . . 432 VAL HA . 7414 1
1741 . 1 1 156 156 VAL HB H 1 1.870 0.020 . 1 . . . . 432 VAL HB . 7414 1
1742 . 1 1 156 156 VAL HG11 H 1 -0.331 0.020 . 1 . . . . 432 VAL HG1 . 7414 1
1743 . 1 1 156 156 VAL HG12 H 1 -0.331 0.020 . 1 . . . . 432 VAL HG1 . 7414 1
1744 . 1 1 156 156 VAL HG13 H 1 -0.331 0.020 . 1 . . . . 432 VAL HG1 . 7414 1
1745 . 1 1 156 156 VAL HG21 H 1 0.438 0.020 . 1 . . . . 432 VAL HG2 . 7414 1
1746 . 1 1 156 156 VAL HG22 H 1 0.438 0.020 . 1 . . . . 432 VAL HG2 . 7414 1
1747 . 1 1 156 156 VAL HG23 H 1 0.438 0.020 . 1 . . . . 432 VAL HG2 . 7414 1
1748 . 1 1 156 156 VAL C C 13 168.804 0.3 . 1 . . . . 432 VAL C . 7414 1
1749 . 1 1 156 156 VAL CA C 13 56.579 0.3 . 1 . . . . 432 VAL CA . 7414 1
1750 . 1 1 156 156 VAL CB C 13 29.217 0.3 . 1 . . . . 432 VAL CB . 7414 1
1751 . 1 1 156 156 VAL CG1 C 13 17.595 0.3 . 1 . . . . 432 VAL CG1 . 7414 1
1752 . 1 1 156 156 VAL CG2 C 13 14.956 0.3 . 1 . . . . 432 VAL CG2 . 7414 1
1753 . 1 1 156 156 VAL N N 15 119.036 0.3 . 1 . . . . 432 VAL N . 7414 1
1754 . 1 1 157 157 PHE H H 1 7.953 0.020 . 1 . . . . 433 PHE H . 7414 1
1755 . 1 1 157 157 PHE HA H 1 5.226 0.020 . 1 . . . . 433 PHE HA . 7414 1
1756 . 1 1 157 157 PHE HB2 H 1 3.469 0.020 . 2 . . . . 433 PHE HB2 . 7414 1
1757 . 1 1 157 157 PHE HB3 H 1 2.910 0.020 . 2 . . . . 433 PHE HB3 . 7414 1
1758 . 1 1 157 157 PHE HD1 H 1 7.044 0.020 . 1 . . . . 433 PHE HD1 . 7414 1
1759 . 1 1 157 157 PHE HE1 H 1 6.702 0.020 . 1 . . . . 433 PHE HE1 . 7414 1
1760 . 1 1 157 157 PHE C C 13 167.997 0.3 . 1 . . . . 433 PHE C . 7414 1
1761 . 1 1 157 157 PHE CA C 13 53.360 0.3 . 1 . . . . 433 PHE CA . 7414 1
1762 . 1 1 157 157 PHE CB C 13 38.444 0.3 . 1 . . . . 433 PHE CB . 7414 1
1763 . 1 1 157 157 PHE N N 15 119.376 0.3 . 1 . . . . 433 PHE N . 7414 1
1764 . 1 1 158 158 TYR H H 1 9.435 0.020 . 1 . . . . 434 TYR H . 7414 1
1765 . 1 1 158 158 TYR HA H 1 5.172 0.020 . 1 . . . . 434 TYR HA . 7414 1
1766 . 1 1 158 158 TYR HB2 H 1 3.301 0.020 . 2 . . . . 434 TYR HB2 . 7414 1
1767 . 1 1 158 158 TYR HB3 H 1 3.079 0.020 . 2 . . . . 434 TYR HB3 . 7414 1
1768 . 1 1 158 158 TYR C C 13 171.937 0.3 . 1 . . . . 434 TYR C . 7414 1
1769 . 1 1 158 158 TYR CA C 13 53.081 0.3 . 1 . . . . 434 TYR CA . 7414 1
1770 . 1 1 158 158 TYR CB C 13 39.126 0.3 . 1 . . . . 434 TYR CB . 7414 1
1771 . 1 1 158 158 TYR N N 15 124.645 0.3 . 1 . . . . 434 TYR N . 7414 1
1772 . 1 1 159 159 SER H H 1 8.531 0.020 . 1 . . . . 435 SER H . 7414 1
1773 . 1 1 159 159 SER HA H 1 4.400 0.020 . 1 . . . . 435 SER HA . 7414 1
1774 . 1 1 159 159 SER HB2 H 1 3.955 0.020 . 2 . . . . 435 SER HB2 . 7414 1
1775 . 1 1 159 159 SER HB3 H 1 3.630 0.020 . 2 . . . . 435 SER HB3 . 7414 1
1776 . 1 1 159 159 SER C C 13 170.578 0.3 . 1 . . . . 435 SER C . 7414 1
1777 . 1 1 159 159 SER CA C 13 54.760 0.3 . 1 . . . . 435 SER CA . 7414 1
1778 . 1 1 159 159 SER CB C 13 62.911 0.3 . 1 . . . . 435 SER CB . 7414 1
1779 . 1 1 159 159 SER N N 15 118.779 0.3 . 1 . . . . 435 SER N . 7414 1
1780 . 1 1 160 160 LYS H H 1 8.618 0.020 . 1 . . . . 436 LYS H . 7414 1
1781 . 1 1 160 160 LYS HA H 1 3.850 0.020 . 1 . . . . 436 LYS HA . 7414 1
1782 . 1 1 160 160 LYS HB2 H 1 1.981 0.020 . 2 . . . . 436 LYS HB2 . 7414 1
1783 . 1 1 160 160 LYS HB3 H 1 2.034 0.020 . 2 . . . . 436 LYS HB3 . 7414 1
1784 . 1 1 160 160 LYS HD2 H 1 2.089 0.020 . 1 . . . . 436 LYS HD2 . 7414 1
1785 . 1 1 160 160 LYS HE2 H 1 2.977 0.020 . 1 . . . . 436 LYS HE2 . 7414 1
1786 . 1 1 160 160 LYS HG2 H 1 1.648 0.020 . 2 . . . . 436 LYS HG2 . 7414 1
1787 . 1 1 160 160 LYS HG3 H 1 1.486 0.020 . 2 . . . . 436 LYS HG3 . 7414 1
1788 . 1 1 160 160 LYS C C 13 173.353 0.3 . 1 . . . . 436 LYS C . 7414 1
1789 . 1 1 160 160 LYS CA C 13 54.661 0.3 . 1 . . . . 436 LYS CA . 7414 1
1790 . 1 1 160 160 LYS CB C 13 27.207 0.3 . 1 . . . . 436 LYS CB . 7414 1
1791 . 1 1 160 160 LYS CD C 13 24.712 0.3 . 1 . . . . 436 LYS CD . 7414 1
1792 . 1 1 160 160 LYS CE C 13 39.290 0.3 . 1 . . . . 436 LYS CE . 7414 1
1793 . 1 1 160 160 LYS CG C 13 22.301 0.3 . 1 . . . . 436 LYS CG . 7414 1
1794 . 1 1 160 160 LYS N N 15 119.610 0.3 . 1 . . . . 436 LYS N . 7414 1
1795 . 1 1 161 161 ASN H H 1 7.981 0.020 . 1 . . . . 437 ASN H . 7414 1
1796 . 1 1 161 161 ASN HA H 1 4.510 0.020 . 1 . . . . 437 ASN HA . 7414 1
1797 . 1 1 161 161 ASN HB2 H 1 2.859 0.020 . 1 . . . . 437 ASN HB2 . 7414 1
1798 . 1 1 161 161 ASN HD21 H 1 7.554 0.020 . 1 . . . . 437 ASN HD21 . 7414 1
1799 . 1 1 161 161 ASN HD22 H 1 7.008 0.020 . 1 . . . . 437 ASN HD22 . 7414 1
1800 . 1 1 161 161 ASN C C 13 172.599 0.3 . 1 . . . . 437 ASN C . 7414 1
1801 . 1 1 161 161 ASN CA C 13 52.860 0.3 . 1 . . . . 437 ASN CA . 7414 1
1802 . 1 1 161 161 ASN CB C 13 35.254 0.3 . 1 . . . . 437 ASN CB . 7414 1
1803 . 1 1 161 161 ASN N N 15 111.685 0.3 . 1 . . . . 437 ASN N . 7414 1
1804 . 1 1 161 161 ASN ND2 N 15 113.695 0.3 . 1 . . . . 437 ASN ND2 . 7414 1
1805 . 1 1 162 162 LYS H H 1 7.562 0.020 . 1 . . . . 438 LYS H . 7414 1
1806 . 1 1 162 162 LYS HA H 1 3.629 0.020 . 1 . . . . 438 LYS HA . 7414 1
1807 . 1 1 162 162 LYS HB2 H 1 0.767 0.020 . 2 . . . . 438 LYS HB2 . 7414 1
1808 . 1 1 162 162 LYS HB3 H 1 0.934 0.020 . 2 . . . . 438 LYS HB3 . 7414 1
1809 . 1 1 162 162 LYS HD2 H 1 1.223 0.020 . 2 . . . . 438 LYS HD2 . 7414 1
1810 . 1 1 162 162 LYS HD3 H 1 1.165 0.020 . 2 . . . . 438 LYS HD3 . 7414 1
1811 . 1 1 162 162 LYS HE2 H 1 2.586 0.020 . 1 . . . . 438 LYS HE2 . 7414 1
1812 . 1 1 162 162 LYS HG2 H 1 0.163 0.020 . 2 . . . . 438 LYS HG2 . 7414 1
1813 . 1 1 162 162 LYS HG3 H 1 0.437 0.020 . 2 . . . . 438 LYS HG3 . 7414 1
1814 . 1 1 162 162 LYS C C 13 169.736 0.3 . 1 . . . . 438 LYS C . 7414 1
1815 . 1 1 162 162 LYS CA C 13 54.000 0.3 . 1 . . . . 438 LYS CA . 7414 1
1816 . 1 1 162 162 LYS CB C 13 31.228 0.3 . 1 . . . . 438 LYS CB . 7414 1
1817 . 1 1 162 162 LYS CD C 13 26.319 0.3 . 1 . . . . 438 LYS CD . 7414 1
1818 . 1 1 162 162 LYS CE C 13 38.811 0.3 . 1 . . . . 438 LYS CE . 7414 1
1819 . 1 1 162 162 LYS CG C 13 20.116 0.3 . 1 . . . . 438 LYS CG . 7414 1
1820 . 1 1 162 162 LYS N N 15 115.235 0.3 . 1 . . . . 438 LYS N . 7414 1
1821 . 1 1 163 163 TYR H H 1 7.267 0.020 . 1 . . . . 439 TYR H . 7414 1
1822 . 1 1 163 163 TYR HA H 1 5.499 0.020 . 1 . . . . 439 TYR HA . 7414 1
1823 . 1 1 163 163 TYR HB2 H 1 2.420 0.020 . 2 . . . . 439 TYR HB2 . 7414 1
1824 . 1 1 163 163 TYR HB3 H 1 2.145 0.020 . 2 . . . . 439 TYR HB3 . 7414 1
1825 . 1 1 163 163 TYR HD1 H 1 6.646 0.020 . 1 . . . . 439 TYR HD1 . 7414 1
1826 . 1 1 163 163 TYR HE1 H 1 6.493 0.020 . 1 . . . . 439 TYR HE1 . 7414 1
1827 . 1 1 163 163 TYR C C 13 174.000 0.3 . 1 . . . . 439 TYR C . 7414 1
1828 . 1 1 163 163 TYR CA C 13 52.761 0.3 . 1 . . . . 439 TYR CA . 7414 1
1829 . 1 1 163 163 TYR CB C 13 39.274 0.3 . 1 . . . . 439 TYR CB . 7414 1
1830 . 1 1 163 163 TYR N N 15 114.409 0.3 . 1 . . . . 439 TYR N . 7414 1
1831 . 1 1 164 164 TYR H H 1 9.099 0.020 . 1 . . . . 440 TYR H . 7414 1
1832 . 1 1 164 164 TYR HA H 1 5.558 0.020 . 1 . . . . 440 TYR HA . 7414 1
1833 . 1 1 164 164 TYR HB2 H 1 2.537 0.020 . 2 . . . . 440 TYR HB2 . 7414 1
1834 . 1 1 164 164 TYR HB3 H 1 2.144 0.020 . 2 . . . . 440 TYR HB3 . 7414 1
1835 . 1 1 164 164 TYR HD1 H 1 6.601 0.020 . 1 . . . . 440 TYR HD1 . 7414 1
1836 . 1 1 164 164 TYR HE1 H 1 6.492 0.020 . 1 . . . . 440 TYR HE1 . 7414 1
1837 . 1 1 164 164 TYR C C 13 172.065 0.3 . 1 . . . . 440 TYR C . 7414 1
1838 . 1 1 164 164 TYR CA C 13 50.940 0.3 . 1 . . . . 440 TYR CA . 7414 1
1839 . 1 1 164 164 TYR CB C 13 38.168 0.3 . 1 . . . . 440 TYR CB . 7414 1
1840 . 1 1 164 164 TYR N N 15 116.225 0.3 . 1 . . . . 440 TYR N . 7414 1
1841 . 1 1 165 165 TYR H H 1 8.454 0.020 . 1 . . . . 441 TYR H . 7414 1
1842 . 1 1 165 165 TYR HA H 1 4.801 0.020 . 1 . . . . 441 TYR HA . 7414 1
1843 . 1 1 165 165 TYR HB2 H 1 2.765 0.020 . 1 . . . . 441 TYR HB2 . 7414 1
1844 . 1 1 165 165 TYR HD1 H 1 7.093 0.020 . 1 . . . . 441 TYR HD1 . 7414 1
1845 . 1 1 165 165 TYR HE1 H 1 5.776 0.020 . 1 . . . . 441 TYR HE1 . 7414 1
1846 . 1 1 165 165 TYR C C 13 172.197 0.3 . 1 . . . . 441 TYR C . 7414 1
1847 . 1 1 165 165 TYR CA C 13 54.804 0.3 . 1 . . . . 441 TYR CA . 7414 1
1848 . 1 1 165 165 TYR CB C 13 35.403 0.3 . 1 . . . . 441 TYR CB . 7414 1
1849 . 1 1 165 165 TYR N N 15 120.765 0.3 . 1 . . . . 441 TYR N . 7414 1
1850 . 1 1 166 166 PHE H H 1 8.728 0.020 . 1 . . . . 442 PHE H . 7414 1
1851 . 1 1 166 166 PHE HA H 1 4.763 0.020 . 1 . . . . 442 PHE HA . 7414 1
1852 . 1 1 166 166 PHE HB2 H 1 2.821 0.020 . 2 . . . . 442 PHE HB2 . 7414 1
1853 . 1 1 166 166 PHE HB3 H 1 2.761 0.020 . 2 . . . . 442 PHE HB3 . 7414 1
1854 . 1 1 166 166 PHE HD1 H 1 6.717 0.020 . 1 . . . . 442 PHE HD1 . 7414 1
1855 . 1 1 166 166 PHE HE1 H 1 6.487 0.020 . 3 . . . . 442 PHE HE1 . 7414 1
1856 . 1 1 166 166 PHE HE2 H 1 6.377 0.020 . 3 . . . . 442 PHE HE2 . 7414 1
1857 . 1 1 166 166 PHE C C 13 172.864 0.3 . 1 . . . . 442 PHE C . 7414 1
1858 . 1 1 166 166 PHE CA C 13 54.396 0.3 . 1 . . . . 442 PHE CA . 7414 1
1859 . 1 1 166 166 PHE CB C 13 40.021 0.3 . 1 . . . . 442 PHE CB . 7414 1
1860 . 1 1 166 166 PHE N N 15 119.585 0.3 . 1 . . . . 442 PHE N . 7414 1
1861 . 1 1 167 167 PHE H H 1 9.200 0.020 . 1 . . . . 443 PHE H . 7414 1
1862 . 1 1 167 167 PHE HA H 1 4.950 0.020 . 1 . . . . 443 PHE HA . 7414 1
1863 . 1 1 167 167 PHE HB2 H 1 3.797 0.020 . 2 . . . . 443 PHE HB2 . 7414 1
1864 . 1 1 167 167 PHE HB3 H 1 2.970 0.020 . 2 . . . . 443 PHE HB3 . 7414 1
1865 . 1 1 167 167 PHE HD1 H 1 7.315 0.020 . 1 . . . . 443 PHE HD1 . 7414 1
1866 . 1 1 167 167 PHE HE1 H 1 5.886 0.020 . 1 . . . . 443 PHE HE1 . 7414 1
1867 . 1 1 167 167 PHE C C 13 172.894 0.3 . 1 . . . . 443 PHE C . 7414 1
1868 . 1 1 167 167 PHE CA C 13 54.846 0.3 . 1 . . . . 443 PHE CA . 7414 1
1869 . 1 1 167 167 PHE CB C 13 37.036 0.3 . 1 . . . . 443 PHE CB . 7414 1
1870 . 1 1 167 167 PHE N N 15 119.919 0.3 . 1 . . . . 443 PHE N . 7414 1
1871 . 1 1 168 168 GLN H H 1 9.192 0.020 . 1 . . . . 444 GLN H . 7414 1
1872 . 1 1 168 168 GLN HA H 1 4.675 0.020 . 1 . . . . 444 GLN HA . 7414 1
1873 . 1 1 168 168 GLN HB2 H 1 2.089 0.020 . 1 . . . . 444 GLN HB2 . 7414 1
1874 . 1 1 168 168 GLN HE21 H 1 7.108 0.020 . 1 . . . . 444 GLN HE21 . 7414 1
1875 . 1 1 168 168 GLN HE22 H 1 6.877 0.020 . 1 . . . . 444 GLN HE22 . 7414 1
1876 . 1 1 168 168 GLN HG2 H 1 2.686 0.020 . 1 . . . . 444 GLN HG2 . 7414 1
1877 . 1 1 168 168 GLN C C 13 172.286 0.3 . 1 . . . . 444 GLN C . 7414 1
1878 . 1 1 168 168 GLN CA C 13 51.770 0.3 . 1 . . . . 444 GLN CA . 7414 1
1879 . 1 1 168 168 GLN CB C 13 27.371 0.3 . 1 . . . . 444 GLN CB . 7414 1
1880 . 1 1 168 168 GLN CG C 13 31.759 0.3 . 1 . . . . 444 GLN CG . 7414 1
1881 . 1 1 168 168 GLN N N 15 124.167 0.3 . 1 . . . . 444 GLN N . 7414 1
1882 . 1 1 168 168 GLN NE2 N 15 107.250 0.3 . 1 . . . . 444 GLN NE2 . 7414 1
1883 . 1 1 169 169 GLY H H 1 9.345 0.020 . 1 . . . . 445 GLY H . 7414 1
1884 . 1 1 169 169 GLY HA2 H 1 4.070 0.020 . 2 . . . . 445 GLY HA2 . 7414 1
1885 . 1 1 169 169 GLY HA3 H 1 3.629 0.020 . 2 . . . . 445 GLY HA3 . 7414 1
1886 . 1 1 169 169 GLY C C 13 172.068 0.3 . 1 . . . . 445 GLY C . 7414 1
1887 . 1 1 169 169 GLY CA C 13 43.624 0.3 . 1 . . . . 445 GLY CA . 7414 1
1888 . 1 1 169 169 GLY N N 15 117.959 0.3 . 1 . . . . 445 GLY N . 7414 1
1889 . 1 1 170 170 SER H H 1 8.785 0.020 . 1 . . . . 446 SER H . 7414 1
1890 . 1 1 170 170 SER HA H 1 4.632 0.020 . 1 . . . . 446 SER HA . 7414 1
1891 . 1 1 170 170 SER HB2 H 1 4.233 0.020 . 2 . . . . 446 SER HB2 . 7414 1
1892 . 1 1 170 170 SER HB3 H 1 3.464 0.020 . 2 . . . . 446 SER HB3 . 7414 1
1893 . 1 1 170 170 SER C C 13 171.600 0.3 . 1 . . . . 446 SER C . 7414 1
1894 . 1 1 170 170 SER CA C 13 55.276 0.3 . 1 . . . . 446 SER CA . 7414 1
1895 . 1 1 170 170 SER CB C 13 60.517 0.3 . 1 . . . . 446 SER CB . 7414 1
1896 . 1 1 170 170 SER N N 15 121.092 0.3 . 1 . . . . 446 SER N . 7414 1
1897 . 1 1 171 171 ASN H H 1 8.042 0.020 . 1 . . . . 447 ASN H . 7414 1
1898 . 1 1 171 171 ASN HA H 1 4.840 0.020 . 1 . . . . 447 ASN HA . 7414 1
1899 . 1 1 171 171 ASN HB2 H 1 2.812 0.020 . 2 . . . . 447 ASN HB2 . 7414 1
1900 . 1 1 171 171 ASN HB3 H 1 2.034 0.020 . 2 . . . . 447 ASN HB3 . 7414 1
1901 . 1 1 171 171 ASN HD21 H 1 7.727 0.020 . 1 . . . . 447 ASN HD21 . 7414 1
1902 . 1 1 171 171 ASN HD22 H 1 6.975 0.020 . 1 . . . . 447 ASN HD22 . 7414 1
1903 . 1 1 171 171 ASN C C 13 168.601 0.3 . 1 . . . . 447 ASN C . 7414 1
1904 . 1 1 171 171 ASN CA C 13 49.702 0.3 . 1 . . . . 447 ASN CA . 7414 1
1905 . 1 1 171 171 ASN CB C 13 38.337 0.3 . 1 . . . . 447 ASN CB . 7414 1
1906 . 1 1 171 171 ASN N N 15 120.848 0.3 . 1 . . . . 447 ASN N . 7414 1
1907 . 1 1 171 171 ASN ND2 N 15 114.751 0.3 . 1 . . . . 447 ASN ND2 . 7414 1
1908 . 1 1 172 172 GLN H H 1 7.970 0.020 . 1 . . . . 448 GLN H . 7414 1
1909 . 1 1 172 172 GLN HA H 1 4.960 0.020 . 1 . . . . 448 GLN HA . 7414 1
1910 . 1 1 172 172 GLN HB2 H 1 1.043 0.020 . 1 . . . . 448 GLN HB2 . 7414 1
1911 . 1 1 172 172 GLN HG2 H 1 1.375 0.020 . 2 . . . . 448 GLN HG2 . 7414 1
1912 . 1 1 172 172 GLN HG3 H 1 0.823 0.020 . 2 . . . . 448 GLN HG3 . 7414 1
1913 . 1 1 172 172 GLN C C 13 169.733 0.3 . 1 . . . . 448 GLN C . 7414 1
1914 . 1 1 172 172 GLN CA C 13 48.905 0.3 . 1 . . . . 448 GLN CA . 7414 1
1915 . 1 1 172 172 GLN CB C 13 28.443 0.3 . 1 . . . . 448 GLN CB . 7414 1
1916 . 1 1 172 172 GLN CG C 13 30.602 0.3 . 1 . . . . 448 GLN CG . 7414 1
1917 . 1 1 172 172 GLN N N 15 121.404 0.3 . 1 . . . . 448 GLN N . 7414 1
1918 . 1 1 173 173 PHE H H 1 9.243 0.020 . 1 . . . . 449 PHE H . 7414 1
1919 . 1 1 173 173 PHE HA H 1 5.115 0.020 . 1 . . . . 449 PHE HA . 7414 1
1920 . 1 1 173 173 PHE HB2 H 1 2.586 0.020 . 1 . . . . 449 PHE HB2 . 7414 1
1921 . 1 1 173 173 PHE HD1 H 1 7.010 0.020 . 3 . . . . 449 PHE HD1 . 7414 1
1922 . 1 1 173 173 PHE HD2 H 1 6.987 0.020 . 3 . . . . 449 PHE HD2 . 7414 1
1923 . 1 1 173 173 PHE HE1 H 1 7.042 0.020 . 1 . . . . 449 PHE HE1 . 7414 1
1924 . 1 1 173 173 PHE C C 13 171.917 0.3 . 1 . . . . 449 PHE C . 7414 1
1925 . 1 1 173 173 PHE CA C 13 52.755 0.3 . 1 . . . . 449 PHE CA . 7414 1
1926 . 1 1 173 173 PHE CB C 13 38.850 0.3 . 1 . . . . 449 PHE CB . 7414 1
1927 . 1 1 173 173 PHE N N 15 124.893 0.3 . 1 . . . . 449 PHE N . 7414 1
1928 . 1 1 174 174 GLU H H 1 8.708 0.020 . 1 . . . . 450 GLU H . 7414 1
1929 . 1 1 174 174 GLU HA H 1 3.964 0.020 . 1 . . . . 450 GLU HA . 7414 1
1930 . 1 1 174 174 GLU HB2 H 1 2.037 0.020 . 2 . . . . 450 GLU HB2 . 7414 1
1931 . 1 1 174 174 GLU HB3 H 1 1.361 0.020 . 2 . . . . 450 GLU HB3 . 7414 1
1932 . 1 1 174 174 GLU HG2 H 1 1.426 0.020 . 2 . . . . 450 GLU HG2 . 7414 1
1933 . 1 1 174 174 GLU HG3 H 1 0.753 0.020 . 2 . . . . 450 GLU HG3 . 7414 1
1934 . 1 1 174 174 GLU C C 13 170.858 0.3 . 1 . . . . 450 GLU C . 7414 1
1935 . 1 1 174 174 GLU CA C 13 52.777 0.3 . 1 . . . . 450 GLU CA . 7414 1
1936 . 1 1 174 174 GLU CB C 13 29.640 0.3 . 1 . . . . 450 GLU CB . 7414 1
1937 . 1 1 174 174 GLU CG C 13 34.403 0.3 . 1 . . . . 450 GLU CG . 7414 1
1938 . 1 1 174 174 GLU N N 15 125.966 0.3 . 1 . . . . 450 GLU N . 7414 1
1939 . 1 1 175 175 TYR H H 1 9.579 0.020 . 1 . . . . 451 TYR H . 7414 1
1940 . 1 1 175 175 TYR HA H 1 4.952 0.020 . 1 . . . . 451 TYR HA . 7414 1
1941 . 1 1 175 175 TYR HB2 H 1 3.522 0.020 . 2 . . . . 451 TYR HB2 . 7414 1
1942 . 1 1 175 175 TYR HB3 H 1 2.562 0.020 . 2 . . . . 451 TYR HB3 . 7414 1
1943 . 1 1 175 175 TYR HE1 H 1 6.980 0.020 . 1 . . . . 451 TYR HE1 . 7414 1
1944 . 1 1 175 175 TYR C C 13 171.018 0.3 . 1 . . . . 451 TYR C . 7414 1
1945 . 1 1 175 175 TYR CA C 13 54.202 0.3 . 1 . . . . 451 TYR CA . 7414 1
1946 . 1 1 175 175 TYR CB C 13 39.599 0.3 . 1 . . . . 451 TYR CB . 7414 1
1947 . 1 1 175 175 TYR N N 15 130.589 0.3 . 1 . . . . 451 TYR N . 7414 1
1948 . 1 1 176 176 ASP H H 1 8.166 0.020 . 1 . . . . 452 ASP H . 7414 1
1949 . 1 1 176 176 ASP HA H 1 4.726 0.020 . 1 . . . . 452 ASP HA . 7414 1
1950 . 1 1 176 176 ASP HB2 H 1 2.585 0.020 . 2 . . . . 452 ASP HB2 . 7414 1
1951 . 1 1 176 176 ASP HB3 H 1 2.410 0.020 . 2 . . . . 452 ASP HB3 . 7414 1
1952 . 1 1 176 176 ASP C C 13 170.863 0.3 . 1 . . . . 452 ASP C . 7414 1
1953 . 1 1 176 176 ASP CA C 13 49.638 0.3 . 1 . . . . 452 ASP CA . 7414 1
1954 . 1 1 176 176 ASP CB C 13 39.474 0.3 . 1 . . . . 452 ASP CB . 7414 1
1955 . 1 1 176 176 ASP N N 15 128.773 0.3 . 1 . . . . 452 ASP N . 7414 1
1956 . 1 1 177 177 PHE H H 1 7.504 0.020 . 1 . . . . 453 PHE H . 7414 1
1957 . 1 1 177 177 PHE HA H 1 4.513 0.020 . 1 . . . . 453 PHE HA . 7414 1
1958 . 1 1 177 177 PHE HB2 H 1 3.579 0.020 . 2 . . . . 453 PHE HB2 . 7414 1
1959 . 1 1 177 177 PHE HB3 H 1 2.428 0.020 . 2 . . . . 453 PHE HB3 . 7414 1
1960 . 1 1 177 177 PHE HD1 H 1 6.491 0.020 . 1 . . . . 453 PHE HD1 . 7414 1
1961 . 1 1 177 177 PHE HE1 H 1 6.601 0.020 . 1 . . . . 453 PHE HE1 . 7414 1
1962 . 1 1 177 177 PHE C C 13 173.069 0.3 . 1 . . . . 453 PHE C . 7414 1
1963 . 1 1 177 177 PHE CA C 13 55.104 0.3 . 1 . . . . 453 PHE CA . 7414 1
1964 . 1 1 177 177 PHE CB C 13 34.964 0.3 . 1 . . . . 453 PHE CB . 7414 1
1965 . 1 1 177 177 PHE N N 15 122.185 0.3 . 1 . . . . 453 PHE N . 7414 1
1966 . 1 1 178 178 LEU H H 1 8.413 0.020 . 1 . . . . 454 LEU H . 7414 1
1967 . 1 1 178 178 LEU HA H 1 4.345 0.020 . 1 . . . . 454 LEU HA . 7414 1
1968 . 1 1 178 178 LEU HB2 H 1 1.750 0.020 . 2 . . . . 454 LEU HB2 . 7414 1
1969 . 1 1 178 178 LEU HB3 H 1 1.263 0.020 . 2 . . . . 454 LEU HB3 . 7414 1
1970 . 1 1 178 178 LEU HD11 H 1 0.712 0.020 . 1 . . . . 454 LEU HD1 . 7414 1
1971 . 1 1 178 178 LEU HD12 H 1 0.712 0.020 . 1 . . . . 454 LEU HD1 . 7414 1
1972 . 1 1 178 178 LEU HD13 H 1 0.712 0.020 . 1 . . . . 454 LEU HD1 . 7414 1
1973 . 1 1 178 178 LEU HD21 H 1 0.823 0.020 . 1 . . . . 454 LEU HD2 . 7414 1
1974 . 1 1 178 178 LEU HD22 H 1 0.823 0.020 . 1 . . . . 454 LEU HD2 . 7414 1
1975 . 1 1 178 178 LEU HD23 H 1 0.823 0.020 . 1 . . . . 454 LEU HD2 . 7414 1
1976 . 1 1 178 178 LEU HG H 1 1.212 0.020 . 1 . . . . 454 LEU HG . 7414 1
1977 . 1 1 178 178 LEU C C 13 176.469 0.3 . 1 . . . . 454 LEU C . 7414 1
1978 . 1 1 178 178 LEU CA C 13 53.788 0.3 . 1 . . . . 454 LEU CA . 7414 1
1979 . 1 1 178 178 LEU CB C 13 37.604 0.3 . 1 . . . . 454 LEU CB . 7414 1
1980 . 1 1 178 178 LEU CD1 C 13 21.912 0.3 . 1 . . . . 454 LEU CD1 . 7414 1
1981 . 1 1 178 178 LEU CD2 C 13 19.519 0.3 . 1 . . . . 454 LEU CD2 . 7414 1
1982 . 1 1 178 178 LEU CG C 13 23.258 0.3 . 1 . . . . 454 LEU CG . 7414 1
1983 . 1 1 178 178 LEU N N 15 125.289 0.3 . 1 . . . . 454 LEU N . 7414 1
1984 . 1 1 179 179 LEU H H 1 8.200 0.020 . 1 . . . . 455 LEU H . 7414 1
1985 . 1 1 179 179 LEU HA H 1 3.905 0.020 . 1 . . . . 455 LEU HA . 7414 1
1986 . 1 1 179 179 LEU HB2 H 1 1.104 0.020 . 1 . . . . 455 LEU HB2 . 7414 1
1987 . 1 1 179 179 LEU HD11 H 1 0.605 0.020 . 1 . . . . 455 LEU HD1 . 7414 1
1988 . 1 1 179 179 LEU HD12 H 1 0.605 0.020 . 1 . . . . 455 LEU HD1 . 7414 1
1989 . 1 1 179 179 LEU HD13 H 1 0.605 0.020 . 1 . . . . 455 LEU HD1 . 7414 1
1990 . 1 1 179 179 LEU HD21 H 1 0.568 0.020 . 1 . . . . 455 LEU HD2 . 7414 1
1991 . 1 1 179 179 LEU HD22 H 1 0.568 0.020 . 1 . . . . 455 LEU HD2 . 7414 1
1992 . 1 1 179 179 LEU HD23 H 1 0.568 0.020 . 1 . . . . 455 LEU HD2 . 7414 1
1993 . 1 1 179 179 LEU HG H 1 1.428 0.020 . 1 . . . . 455 LEU HG . 7414 1
1994 . 1 1 179 179 LEU C C 13 174.459 0.3 . 1 . . . . 455 LEU C . 7414 1
1995 . 1 1 179 179 LEU CA C 13 52.045 0.3 . 1 . . . . 455 LEU CA . 7414 1
1996 . 1 1 179 179 LEU CB C 13 39.393 0.3 . 1 . . . . 455 LEU CB . 7414 1
1997 . 1 1 179 179 LEU CD1 C 13 21.764 0.3 . 1 . . . . 455 LEU CD1 . 7414 1
1998 . 1 1 179 179 LEU CD2 C 13 18.839 0.3 . 1 . . . . 455 LEU CD2 . 7414 1
1999 . 1 1 179 179 LEU CG C 13 23.064 0.3 . 1 . . . . 455 LEU CG . 7414 1
2000 . 1 1 179 179 LEU N N 15 120.063 0.3 . 1 . . . . 455 LEU N . 7414 1
2001 . 1 1 180 180 GLN H H 1 8.022 0.020 . 1 . . . . 456 GLN H . 7414 1
2002 . 1 1 180 180 GLN HA H 1 3.457 0.020 . 1 . . . . 456 GLN HA . 7414 1
2003 . 1 1 180 180 GLN HB2 H 1 2.250 0.020 . 2 . . . . 456 GLN HB2 . 7414 1
2004 . 1 1 180 180 GLN HB3 H 1 1.971 0.020 . 2 . . . . 456 GLN HB3 . 7414 1
2005 . 1 1 180 180 GLN HE21 H 1 7.529 0.020 . 1 . . . . 456 GLN HE21 . 7414 1
2006 . 1 1 180 180 GLN HE22 H 1 6.774 0.020 . 1 . . . . 456 GLN HE22 . 7414 1
2007 . 1 1 180 180 GLN HG2 H 1 2.061 0.020 . 1 . . . . 456 GLN HG2 . 7414 1
2008 . 1 1 180 180 GLN C C 13 175.599 0.3 . 1 . . . . 456 GLN C . 7414 1
2009 . 1 1 180 180 GLN CA C 13 53.647 0.3 . 1 . . . . 456 GLN CA . 7414 1
2010 . 1 1 180 180 GLN CB C 13 22.336 0.3 . 1 . . . . 456 GLN CB . 7414 1
2011 . 1 1 180 180 GLN CG C 13 30.908 0.3 . 1 . . . . 456 GLN CG . 7414 1
2012 . 1 1 180 180 GLN N N 15 114.161 0.3 . 1 . . . . 456 GLN N . 7414 1
2013 . 1 1 180 180 GLN NE2 N 15 112.457 0.3 . 1 . . . . 456 GLN NE2 . 7414 1
2014 . 1 1 181 181 ARG H H 1 6.795 0.020 . 1 . . . . 457 ARG H . 7414 1
2015 . 1 1 181 181 ARG HA H 1 4.523 0.020 . 1 . . . . 457 ARG HA . 7414 1
2016 . 1 1 181 181 ARG HB2 H 1 1.590 0.020 . 2 . . . . 457 ARG HB2 . 7414 1
2017 . 1 1 181 181 ARG HB3 H 1 1.386 0.020 . 2 . . . . 457 ARG HB3 . 7414 1
2018 . 1 1 181 181 ARG HD2 H 1 2.969 0.020 . 2 . . . . 457 ARG HD2 . 7414 1
2019 . 1 1 181 181 ARG HD3 H 1 2.915 0.020 . 2 . . . . 457 ARG HD3 . 7414 1
2020 . 1 1 181 181 ARG HG2 H 1 1.150 0.020 . 1 . . . . 457 ARG HG2 . 7414 1
2021 . 1 1 181 181 ARG C C 13 171.368 0.3 . 1 . . . . 457 ARG C . 7414 1
2022 . 1 1 181 181 ARG CA C 13 51.189 0.3 . 1 . . . . 457 ARG CA . 7414 1
2023 . 1 1 181 181 ARG CB C 13 30.821 0.3 . 1 . . . . 457 ARG CB . 7414 1
2024 . 1 1 181 181 ARG CD C 13 40.411 0.3 . 1 . . . . 457 ARG CD . 7414 1
2025 . 1 1 181 181 ARG CG C 13 22.530 0.3 . 1 . . . . 457 ARG CG . 7414 1
2026 . 1 1 181 181 ARG N N 15 112.895 0.3 . 1 . . . . 457 ARG N . 7414 1
2027 . 1 1 182 182 ILE H H 1 8.735 0.020 . 1 . . . . 458 ILE H . 7414 1
2028 . 1 1 182 182 ILE HA H 1 4.577 0.020 . 1 . . . . 458 ILE HA . 7414 1
2029 . 1 1 182 182 ILE HB H 1 1.602 0.020 . 1 . . . . 458 ILE HB . 7414 1
2030 . 1 1 182 182 ILE HD11 H 1 0.488 0.020 . 1 . . . . 458 ILE HD1 . 7414 1
2031 . 1 1 182 182 ILE HD12 H 1 0.488 0.020 . 1 . . . . 458 ILE HD1 . 7414 1
2032 . 1 1 182 182 ILE HD13 H 1 0.488 0.020 . 1 . . . . 458 ILE HD1 . 7414 1
2033 . 1 1 182 182 ILE HG12 H 1 0.770 0.020 . 2 . . . . 458 ILE HG12 . 7414 1
2034 . 1 1 182 182 ILE HG13 H 1 2.029 0.020 . 2 . . . . 458 ILE HG13 . 7414 1
2035 . 1 1 182 182 ILE HG21 H 1 0.934 0.020 . 1 . . . . 458 ILE HG2 . 7414 1
2036 . 1 1 182 182 ILE HG22 H 1 0.934 0.020 . 1 . . . . 458 ILE HG2 . 7414 1
2037 . 1 1 182 182 ILE HG23 H 1 0.934 0.020 . 1 . . . . 458 ILE HG2 . 7414 1
2038 . 1 1 182 182 ILE C C 13 174.826 0.3 . 1 . . . . 458 ILE C . 7414 1
2039 . 1 1 182 182 ILE CA C 13 58.964 0.3 . 1 . . . . 458 ILE CA . 7414 1
2040 . 1 1 182 182 ILE CB C 13 36.225 0.3 . 1 . . . . 458 ILE CB . 7414 1
2041 . 1 1 182 182 ILE CD1 C 13 11.262 0.3 . 1 . . . . 458 ILE CD1 . 7414 1
2042 . 1 1 182 182 ILE CG1 C 13 26.837 0.3 . 1 . . . . 458 ILE CG1 . 7414 1
2043 . 1 1 182 182 ILE CG2 C 13 14.312 0.3 . 1 . . . . 458 ILE CG2 . 7414 1
2044 . 1 1 182 182 ILE N N 15 122.334 0.3 . 1 . . . . 458 ILE N . 7414 1
2045 . 1 1 183 183 THR H H 1 9.296 0.020 . 1 . . . . 459 THR H . 7414 1
2046 . 1 1 183 183 THR HA H 1 4.234 0.020 . 1 . . . . 459 THR HA . 7414 1
2047 . 1 1 183 183 THR HB H 1 4.181 0.020 . 1 . . . . 459 THR HB . 7414 1
2048 . 1 1 183 183 THR HG21 H 1 1.097 0.020 . 1 . . . . 459 THR HG2 . 7414 1
2049 . 1 1 183 183 THR HG22 H 1 1.097 0.020 . 1 . . . . 459 THR HG2 . 7414 1
2050 . 1 1 183 183 THR HG23 H 1 1.097 0.020 . 1 . . . . 459 THR HG2 . 7414 1
2051 . 1 1 183 183 THR C C 13 173.473 0.3 . 1 . . . . 459 THR C . 7414 1
2052 . 1 1 183 183 THR CA C 13 59.379 0.3 . 1 . . . . 459 THR CA . 7414 1
2053 . 1 1 183 183 THR CB C 13 65.042 0.3 . 1 . . . . 459 THR CB . 7414 1
2054 . 1 1 183 183 THR CG2 C 13 21.109 0.3 . 1 . . . . 459 THR CG2 . 7414 1
2055 . 1 1 183 183 THR N N 15 120.632 0.3 . 1 . . . . 459 THR N . 7414 1
2056 . 1 1 184 184 LYS H H 1 7.562 0.020 . 1 . . . . 460 LYS H . 7414 1
2057 . 1 1 184 184 LYS HA H 1 4.396 0.020 . 1 . . . . 460 LYS HA . 7414 1
2058 . 1 1 184 184 LYS HB2 H 1 1.587 0.020 . 2 . . . . 460 LYS HB2 . 7414 1
2059 . 1 1 184 184 LYS HB3 H 1 1.482 0.020 . 2 . . . . 460 LYS HB3 . 7414 1
2060 . 1 1 184 184 LYS HD2 H 1 1.432 0.020 . 2 . . . . 460 LYS HD2 . 7414 1
2061 . 1 1 184 184 LYS HD3 H 1 1.383 0.020 . 2 . . . . 460 LYS HD3 . 7414 1
2062 . 1 1 184 184 LYS HE2 H 1 2.785 0.020 . 1 . . . . 460 LYS HE2 . 7414 1
2063 . 1 1 184 184 LYS HG2 H 1 1.231 0.020 . 1 . . . . 460 LYS HG2 . 7414 1
2064 . 1 1 184 184 LYS C C 13 171.320 0.3 . 1 . . . . 460 LYS C . 7414 1
2065 . 1 1 184 184 LYS CA C 13 54.114 0.3 . 1 . . . . 460 LYS CA . 7414 1
2066 . 1 1 184 184 LYS CB C 13 33.956 0.3 . 1 . . . . 460 LYS CB . 7414 1
2067 . 1 1 184 184 LYS CD C 13 26.034 0.3 . 1 . . . . 460 LYS CD . 7414 1
2068 . 1 1 184 184 LYS CE C 13 38.590 0.3 . 1 . . . . 460 LYS CE . 7414 1
2069 . 1 1 184 184 LYS CG C 13 21.960 0.3 . 1 . . . . 460 LYS CG . 7414 1
2070 . 1 1 184 184 LYS N N 15 121.591 0.3 . 1 . . . . 460 LYS N . 7414 1
2071 . 1 1 185 185 THR H H 1 8.330 0.020 . 1 . . . . 461 THR H . 7414 1
2072 . 1 1 185 185 THR HA H 1 4.667 0.020 . 1 . . . . 461 THR HA . 7414 1
2073 . 1 1 185 185 THR HB H 1 3.959 0.020 . 1 . . . . 461 THR HB . 7414 1
2074 . 1 1 185 185 THR HG21 H 1 1.043 0.020 . 1 . . . . 461 THR HG2 . 7414 1
2075 . 1 1 185 185 THR HG22 H 1 1.043 0.020 . 1 . . . . 461 THR HG2 . 7414 1
2076 . 1 1 185 185 THR HG23 H 1 1.043 0.020 . 1 . . . . 461 THR HG2 . 7414 1
2077 . 1 1 185 185 THR C C 13 170.402 0.3 . 1 . . . . 461 THR C . 7414 1
2078 . 1 1 185 185 THR CA C 13 59.197 0.3 . 1 . . . . 461 THR CA . 7414 1
2079 . 1 1 185 185 THR CB C 13 66.506 0.3 . 1 . . . . 461 THR CB . 7414 1
2080 . 1 1 185 185 THR CG2 C 13 17.954 0.3 . 1 . . . . 461 THR CG2 . 7414 1
2081 . 1 1 185 185 THR N N 15 118.784 0.3 . 1 . . . . 461 THR N . 7414 1
2082 . 1 1 186 186 LEU H H 1 9.009 0.020 . 1 . . . . 462 LEU H . 7414 1
2083 . 1 1 186 186 LEU HA H 1 4.622 0.020 . 1 . . . . 462 LEU HA . 7414 1
2084 . 1 1 186 186 LEU HB2 H 1 1.538 0.020 . 2 . . . . 462 LEU HB2 . 7414 1
2085 . 1 1 186 186 LEU HB3 H 1 1.167 0.020 . 2 . . . . 462 LEU HB3 . 7414 1
2086 . 1 1 186 186 LEU HD11 H 1 0.440 0.020 . 1 . . . . 462 LEU HD1 . 7414 1
2087 . 1 1 186 186 LEU HD12 H 1 0.440 0.020 . 1 . . . . 462 LEU HD1 . 7414 1
2088 . 1 1 186 186 LEU HD13 H 1 0.440 0.020 . 1 . . . . 462 LEU HD1 . 7414 1
2089 . 1 1 186 186 LEU HD21 H 1 0.554 0.020 . 1 . . . . 462 LEU HD2 . 7414 1
2090 . 1 1 186 186 LEU HD22 H 1 0.554 0.020 . 1 . . . . 462 LEU HD2 . 7414 1
2091 . 1 1 186 186 LEU HD23 H 1 0.554 0.020 . 1 . . . . 462 LEU HD2 . 7414 1
2092 . 1 1 186 186 LEU HG H 1 1.097 0.020 . 1 . . . . 462 LEU HG . 7414 1
2093 . 1 1 186 186 LEU C C 13 173.829 0.3 . 1 . . . . 462 LEU C . 7414 1
2094 . 1 1 186 186 LEU CA C 13 50.333 0.3 . 1 . . . . 462 LEU CA . 7414 1
2095 . 1 1 186 186 LEU CB C 13 43.378 0.3 . 1 . . . . 462 LEU CB . 7414 1
2096 . 1 1 186 186 LEU CD1 C 13 22.409 0.3 . 1 . . . . 462 LEU CD1 . 7414 1
2097 . 1 1 186 186 LEU CD2 C 13 20.564 0.3 . 1 . . . . 462 LEU CD2 . 7414 1
2098 . 1 1 186 186 LEU CG C 13 23.881 0.3 . 1 . . . . 462 LEU CG . 7414 1
2099 . 1 1 186 186 LEU N N 15 127.287 0.3 . 1 . . . . 462 LEU N . 7414 1
2100 . 1 1 187 187 LYS H H 1 8.255 0.020 . 1 . . . . 463 LYS H . 7414 1
2101 . 1 1 187 187 LYS HA H 1 4.950 0.020 . 1 . . . . 463 LYS HA . 7414 1
2102 . 1 1 187 187 LYS HB2 H 1 1.868 0.020 . 2 . . . . 463 LYS HB2 . 7414 1
2103 . 1 1 187 187 LYS HB3 H 1 1.594 0.020 . 2 . . . . 463 LYS HB3 . 7414 1
2104 . 1 1 187 187 LYS HD2 H 1 1.649 0.020 . 1 . . . . 463 LYS HD2 . 7414 1
2105 . 1 1 187 187 LYS HE2 H 1 2.750 0.020 . 1 . . . . 463 LYS HE2 . 7414 1
2106 . 1 1 187 187 LYS HG2 H 1 1.433 0.020 . 1 . . . . 463 LYS HG2 . 7414 1
2107 . 1 1 187 187 LYS C C 13 177.864 0.3 . 1 . . . . 463 LYS C . 7414 1
2108 . 1 1 187 187 LYS CA C 13 51.442 0.3 . 1 . . . . 463 LYS CA . 7414 1
2109 . 1 1 187 187 LYS CB C 13 29.177 0.3 . 1 . . . . 463 LYS CB . 7414 1
2110 . 1 1 187 187 LYS CD C 13 24.391 0.3 . 1 . . . . 463 LYS CD . 7414 1
2111 . 1 1 187 187 LYS CE C 13 38.810 0.3 . 1 . . . . 463 LYS CE . 7414 1
2112 . 1 1 187 187 LYS CG C 13 21.221 0.3 . 1 . . . . 463 LYS CG . 7414 1
2113 . 1 1 187 187 LYS N N 15 119.692 0.3 . 1 . . . . 463 LYS N . 7414 1
2114 . 1 1 188 188 SER H H 1 8.479 0.020 . 1 . . . . 464 SER H . 7414 1
2115 . 1 1 188 188 SER HA H 1 4.177 0.020 . 1 . . . . 464 SER HA . 7414 1
2116 . 1 1 188 188 SER HB2 H 1 4.179 0.020 . 2 . . . . 464 SER HB2 . 7414 1
2117 . 1 1 188 188 SER HB3 H 1 3.930 0.020 . 2 . . . . 464 SER HB3 . 7414 1
2118 . 1 1 188 188 SER C C 13 170.554 0.3 . 1 . . . . 464 SER C . 7414 1
2119 . 1 1 188 188 SER CA C 13 58.246 0.3 . 1 . . . . 464 SER CA . 7414 1
2120 . 1 1 188 188 SER CB C 13 58.952 0.3 . 1 . . . . 464 SER CB . 7414 1
2121 . 1 1 188 188 SER N N 15 118.763 0.3 . 1 . . . . 464 SER N . 7414 1
2122 . 1 1 189 189 ASN H H 1 7.020 0.020 . 1 . . . . 465 ASN H . 7414 1
2123 . 1 1 189 189 ASN HA H 1 4.088 0.020 . 1 . . . . 465 ASN HA . 7414 1
2124 . 1 1 189 189 ASN HB2 H 1 3.547 0.020 . 2 . . . . 465 ASN HB2 . 7414 1
2125 . 1 1 189 189 ASN HB3 H 1 2.442 0.020 . 2 . . . . 465 ASN HB3 . 7414 1
2126 . 1 1 189 189 ASN HD21 H 1 7.822 0.020 . 1 . . . . 465 ASN HD21 . 7414 1
2127 . 1 1 189 189 ASN HD22 H 1 6.908 0.020 . 1 . . . . 465 ASN HD22 . 7414 1
2128 . 1 1 189 189 ASN C C 13 175.531 0.3 . 1 . . . . 465 ASN C . 7414 1
2129 . 1 1 189 189 ASN CA C 13 48.964 0.3 . 1 . . . . 465 ASN CA . 7414 1
2130 . 1 1 189 189 ASN CB C 13 35.621 0.3 . 1 . . . . 465 ASN CB . 7414 1
2131 . 1 1 189 189 ASN N N 15 114.347 0.3 . 1 . . . . 465 ASN N . 7414 1
2132 . 1 1 189 189 ASN ND2 N 15 115.071 0.3 . 1 . . . . 465 ASN ND2 . 7414 1
2133 . 1 1 190 190 SER H H 1 7.213 0.020 . 1 . . . . 466 SER H . 7414 1
2134 . 1 1 190 190 SER HA H 1 4.678 0.020 . 1 . . . . 466 SER HA . 7414 1
2135 . 1 1 190 190 SER HB2 H 1 3.704 0.020 . 2 . . . . 466 SER HB2 . 7414 1
2136 . 1 1 190 190 SER HB3 H 1 3.454 0.020 . 2 . . . . 466 SER HB3 . 7414 1
2137 . 1 1 190 190 SER C C 13 174.126 0.3 . 1 . . . . 466 SER C . 7414 1
2138 . 1 1 190 190 SER CA C 13 59.747 0.3 . 1 . . . . 466 SER CA . 7414 1
2139 . 1 1 190 190 SER CB C 13 59.026 0.3 . 1 . . . . 466 SER CB . 7414 1
2140 . 1 1 190 190 SER N N 15 114.409 0.3 . 1 . . . . 466 SER N . 7414 1
2141 . 1 1 191 191 TRP H H 1 7.488 0.020 . 1 . . . . 467 TRP H . 7414 1
2142 . 1 1 191 191 TRP HA H 1 4.066 0.020 . 1 . . . . 467 TRP HA . 7414 1
2143 . 1 1 191 191 TRP HB2 H 1 3.024 0.020 . 2 . . . . 467 TRP HB2 . 7414 1
2144 . 1 1 191 191 TRP HB3 H 1 2.309 0.020 . 2 . . . . 467 TRP HB3 . 7414 1
2145 . 1 1 191 191 TRP HE1 H 1 9.732 0.020 . 1 . . . . 467 TRP HE1 . 7414 1
2146 . 1 1 191 191 TRP C C 13 173.540 0.3 . 1 . . . . 467 TRP C . 7414 1
2147 . 1 1 191 191 TRP CA C 13 55.102 0.3 . 1 . . . . 467 TRP CA . 7414 1
2148 . 1 1 191 191 TRP CB C 13 24.665 0.3 . 1 . . . . 467 TRP CB . 7414 1
2149 . 1 1 191 191 TRP N N 15 122.011 0.3 . 1 . . . . 467 TRP N . 7414 1
2150 . 1 1 191 191 TRP NE1 N 15 127.696 0.3 . 1 . . . . 467 TRP NE1 . 7414 1
2151 . 1 1 192 192 PHE H H 1 7.137 0.020 . 1 . . . . 468 PHE H . 7414 1
2152 . 1 1 192 192 PHE HA H 1 4.786 0.020 . 1 . . . . 468 PHE HA . 7414 1
2153 . 1 1 192 192 PHE HB2 H 1 3.244 0.020 . 2 . . . . 468 PHE HB2 . 7414 1
2154 . 1 1 192 192 PHE HB3 H 1 2.979 0.020 . 2 . . . . 468 PHE HB3 . 7414 1
2155 . 1 1 192 192 PHE HD1 H 1 6.326 0.020 . 1 . . . . 468 PHE HD1 . 7414 1
2156 . 1 1 192 192 PHE HE1 H 1 6.162 0.020 . 1 . . . . 468 PHE HE1 . 7414 1
2157 . 1 1 192 192 PHE C C 13 173.880 0.3 . 1 . . . . 468 PHE C . 7414 1
2158 . 1 1 192 192 PHE CA C 13 51.049 0.3 . 1 . . . . 468 PHE CA . 7414 1
2159 . 1 1 192 192 PHE CB C 13 34.582 0.3 . 1 . . . . 468 PHE CB . 7414 1
2160 . 1 1 192 192 PHE N N 15 116.308 0.3 . 1 . . . . 468 PHE N . 7414 1
2161 . 1 1 193 193 GLY H H 1 7.768 0.020 . 1 . . . . 469 GLY H . 7414 1
2162 . 1 1 193 193 GLY HA2 H 1 3.928 0.020 . 2 . . . . 469 GLY HA2 . 7414 1
2163 . 1 1 193 193 GLY HA3 H 1 3.634 0.020 . 2 . . . . 469 GLY HA3 . 7414 1
2164 . 1 1 193 193 GLY C C 13 171.172 0.3 . 1 . . . . 469 GLY C . 7414 1
2165 . 1 1 193 193 GLY CA C 13 42.958 0.3 . 1 . . . . 469 GLY CA . 7414 1
2166 . 1 1 193 193 GLY N N 15 108.053 0.3 . 1 . . . . 469 GLY N . 7414 1
2167 . 1 1 194 194 CYS H H 1 6.938 0.020 . 1 . . . . 470 CYS H . 7414 1
2168 . 1 1 194 194 CYS HA H 1 4.182 0.020 . 1 . . . . 470 CYS HA . 7414 1
2169 . 1 1 194 194 CYS HB2 H 1 2.860 0.020 . 2 . . . . 470 CYS HB2 . 7414 1
2170 . 1 1 194 194 CYS HB3 H 1 2.203 0.020 . 2 . . . . 470 CYS HB3 . 7414 1
2171 . 1 1 194 194 CYS CA C 13 52.821 0.3 . 1 . . . . 470 CYS CA . 7414 1
2172 . 1 1 194 194 CYS CB C 13 36.781 0.3 . 1 . . . . 470 CYS CB . 7414 1
2173 . 1 1 194 194 CYS N N 15 123.077 0.3 . 1 . . . . 470 CYS N . 7414 1
stop_
save_
##############################
# Heteronuclear NOE values #
##############################
save_heteronuclear_noe_HPX
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_HPX
_Heteronucl_NOE_list.Entry_ID 7414
_Heteronucl_NOE_list.ID 1
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_NOE_list.Spectrometer_frequency_1H 700
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral'
_Heteronucl_NOE_list.NOE_ref_val 0
_Heteronucl_NOE_list.NOE_ref_description 'NOE ref is obtained after splitting of the spectra generating both NOE ref and NOE.'
_Heteronucl_NOE_list.Details
;
column 1 number
column 2 residue
column 3 noe/noe ref
column 4 error
;
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
loop_
_Heteronucl_NOE_experiment.Experiment_ID
_Heteronucl_NOE_experiment.Experiment_name
_Heteronucl_NOE_experiment.Sample_ID
_Heteronucl_NOE_experiment.Sample_label
_Heteronucl_NOE_experiment.Sample_state
_Heteronucl_NOE_experiment.Entry_ID
_Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID
14 '2D 1H-15N HSQC NOE' . . . 7414 1
stop_
loop_
_Heteronucl_NOE.ID
_Heteronucl_NOE.Assembly_atom_ID_1
_Heteronucl_NOE.Entity_assembly_ID_1
_Heteronucl_NOE.Entity_ID_1
_Heteronucl_NOE.Comp_index_ID_1
_Heteronucl_NOE.Seq_ID_1
_Heteronucl_NOE.Comp_ID_1
_Heteronucl_NOE.Atom_ID_1
_Heteronucl_NOE.Atom_type_1
_Heteronucl_NOE.Atom_isotope_number_1
_Heteronucl_NOE.Assembly_atom_ID_2
_Heteronucl_NOE.Entity_assembly_ID_2
_Heteronucl_NOE.Entity_ID_2
_Heteronucl_NOE.Comp_index_ID_2
_Heteronucl_NOE.Seq_ID_2
_Heteronucl_NOE.Comp_ID_2
_Heteronucl_NOE.Atom_ID_2
_Heteronucl_NOE.Atom_type_2
_Heteronucl_NOE.Atom_isotope_number_2
_Heteronucl_NOE.Val
_Heteronucl_NOE.Val_err
_Heteronucl_NOE.Resonance_ID_1
_Heteronucl_NOE.Resonance_ID_2
_Heteronucl_NOE.Auth_entity_assembly_ID_1
_Heteronucl_NOE.Auth_seq_ID_1
_Heteronucl_NOE.Auth_comp_ID_1
_Heteronucl_NOE.Auth_atom_ID_1
_Heteronucl_NOE.Auth_entity_assembly_ID_2
_Heteronucl_NOE.Auth_seq_ID_2
_Heteronucl_NOE.Auth_comp_ID_2
_Heteronucl_NOE.Auth_atom_ID_2
_Heteronucl_NOE.Entry_ID
_Heteronucl_NOE.Heteronucl_NOE_list_ID
1 . 1 1 4 4 ALA N N 15 . 1 1 4 4 ALA H H 1 0.490 0.025 . . . . . . . . . . 7414 1
2 . 1 1 6 6 CYS N N 15 . 1 1 6 6 CYS H H 1 0.800 0.040 . . . . . . . . . . 7414 1
3 . 1 1 7 7 ASP N N 15 . 1 1 7 7 ASP H H 1 0.580 0.029 . . . . . . . . . . 7414 1
4 . 1 1 9 9 ASN N N 15 . 1 1 9 9 ASN H H 1 0.940 0.047 . . . . . . . . . . 7414 1
5 . 1 1 11 11 SER N N 15 . 1 1 11 11 SER H H 1 0.800 0.040 . . . . . . . . . . 7414 1
6 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.910 0.046 . . . . . . . . . . 7414 1
7 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.980 0.049 . . . . . . . . . . 7414 1
8 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.750 0.038 . . . . . . . . . . 7414 1
9 . 1 1 18 18 VAL N N 15 . 1 1 18 18 VAL H H 1 0.870 0.044 . . . . . . . . . . 7414 1
10 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.760 0.038 . . . . . . . . . . 7414 1
11 . 1 1 21 21 LYS N N 15 . 1 1 21 21 LYS H H 1 0.790 0.040 . . . . . . . . . . 7414 1
12 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.940 0.047 . . . . . . . . . . 7414 1
13 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 0.850 0.043 . . . . . . . . . . 7414 1
14 . 1 1 24 24 PHE N N 15 . 1 1 24 24 PHE H H 1 0.920 0.046 . . . . . . . . . . 7414 1
15 . 1 1 25 25 PHE N N 15 . 1 1 25 25 PHE H H 1 0.910 0.046 . . . . . . . . . . 7414 1
16 . 1 1 28 28 ARG N N 15 . 1 1 28 28 ARG H H 1 0.680 0.034 . . . . . . . . . . 7414 1
17 . 1 1 29 29 PHE N N 15 . 1 1 29 29 PHE H H 1 0.980 0.049 . . . . . . . . . . 7414 1
18 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.960 0.048 . . . . . . . . . . 7414 1
19 . 1 1 31 31 TRP N N 15 . 1 1 31 31 TRP H H 1 0.910 0.046 . . . . . . . . . . 7414 1
20 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.880 0.044 . . . . . . . . . . 7414 1
21 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.790 0.040 . . . . . . . . . . 7414 1
22 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.850 0.043 . . . . . . . . . . 7414 1
23 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.880 0.044 . . . . . . . . . . 7414 1
24 . 1 1 37 37 ARG N N 15 . 1 1 37 37 ARG H H 1 0.800 0.040 . . . . . . . . . . 7414 1
25 . 1 1 39 39 LYS N N 15 . 1 1 39 39 LYS H H 1 0.480 0.024 . . . . . . . . . . 7414 1
26 . 1 1 40 40 THR N N 15 . 1 1 40 40 THR H H 1 0.760 0.038 . . . . . . . . . . 7414 1
27 . 1 1 43 43 ASN N N 15 . 1 1 43 43 ASN H H 1 0.900 0.045 . . . . . . . . . . 7414 1
28 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.940 0.047 . . . . . . . . . . 7414 1
29 . 1 1 45 45 ILE N N 15 . 1 1 45 45 ILE H H 1 0.850 0.043 . . . . . . . . . . 7414 1
30 . 1 1 46 46 SER N N 15 . 1 1 46 46 SER H H 1 0.880 0.044 . . . . . . . . . . 7414 1
31 . 1 1 47 47 SER N N 15 . 1 1 47 47 SER H H 1 0.760 0.038 . . . . . . . . . . 7414 1
32 . 1 1 48 48 LEU N N 15 . 1 1 48 48 LEU H H 1 0.760 0.038 . . . . . . . . . . 7414 1
33 . 1 1 49 49 TRP N N 15 . 1 1 49 49 TRP H H 1 0.890 0.045 . . . . . . . . . . 7414 1
34 . 1 1 51 51 THR N N 15 . 1 1 51 51 THR H H 1 0.870 0.044 . . . . . . . . . . 7414 1
35 . 1 1 52 52 LEU N N 15 . 1 1 52 52 LEU H H 1 0.830 0.042 . . . . . . . . . . 7414 1
36 . 1 1 54 54 SER N N 15 . 1 1 54 54 SER H H 1 0.820 0.041 . . . . . . . . . . 7414 1
37 . 1 1 56 56 ILE N N 15 . 1 1 56 56 ILE H H 1 0.800 0.040 . . . . . . . . . . 7414 1
38 . 1 1 58 58 ALA N N 15 . 1 1 58 58 ALA H H 1 0.920 0.046 . . . . . . . . . . 7414 1
39 . 1 1 59 59 ALA N N 15 . 1 1 59 59 ALA H H 1 0.870 0.044 . . . . . . . . . . 7414 1
40 . 1 1 60 60 TYR N N 15 . 1 1 60 60 TYR H H 1 0.990 0.050 . . . . . . . . . . 7414 1
41 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.780 0.039 . . . . . . . . . . 7414 1
42 . 1 1 63 63 GLU N N 15 . 1 1 63 63 GLU H H 1 0.910 0.046 . . . . . . . . . . 7414 1
43 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.900 0.045 . . . . . . . . . . 7414 1
44 . 1 1 65 65 ARG N N 15 . 1 1 65 65 ARG H H 1 0.900 0.045 . . . . . . . . . . 7414 1
45 . 1 1 67 67 GLN N N 15 . 1 1 67 67 GLN H H 1 0.720 0.036 . . . . . . . . . . 7414 1
46 . 1 1 69 69 PHE N N 15 . 1 1 69 69 PHE H H 1 0.970 0.049 . . . . . . . . . . 7414 1
47 . 1 1 70 70 LEU N N 15 . 1 1 70 70 LEU H H 1 0.970 0.049 . . . . . . . . . . 7414 1
48 . 1 1 73 73 ASP N N 15 . 1 1 73 73 ASP H H 1 0.840 0.042 . . . . . . . . . . 7414 1
49 . 1 1 75 75 LYS N N 15 . 1 1 75 75 LYS H H 1 0.890 0.045 . . . . . . . . . . 7414 1
50 . 1 1 77 77 TRP N N 15 . 1 1 77 77 TRP H H 1 0.840 0.042 . . . . . . . . . . 7414 1
51 . 1 1 79 79 ILE N N 15 . 1 1 79 79 ILE H H 1 0.910 0.046 . . . . . . . . . . 7414 1
52 . 1 1 80 80 SER N N 15 . 1 1 80 80 SER H H 1 0.850 0.043 . . . . . . . . . . 7414 1
53 . 1 1 82 82 LEU N N 15 . 1 1 82 82 LEU H H 1 0.850 0.043 . . . . . . . . . . 7414 1
54 . 1 1 83 83 ARG N N 15 . 1 1 83 83 ARG H H 1 0.820 0.041 . . . . . . . . . . 7414 1
55 . 1 1 85 85 GLU N N 15 . 1 1 85 85 GLU H H 1 0.770 0.039 . . . . . . . . . . 7414 1
56 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.880 0.044 . . . . . . . . . . 7414 1
57 . 1 1 88 88 TYR N N 15 . 1 1 88 88 TYR H H 1 0.680 0.034 . . . . . . . . . . 7414 1
58 . 1 1 91 91 SER N N 15 . 1 1 91 91 SER H H 1 0.720 0.036 . . . . . . . . . . 7414 1
59 . 1 1 93 93 HIS N N 15 . 1 1 93 93 HIS H H 1 0.910 0.046 . . . . . . . . . . 7414 1
60 . 1 1 94 94 SER N N 15 . 1 1 94 94 SER H H 1 0.920 0.046 . . . . . . . . . . 7414 1
61 . 1 1 95 95 PHE N N 15 . 1 1 95 95 PHE H H 1 0.950 0.048 . . . . . . . . . . 7414 1
62 . 1 1 96 96 GLY N N 15 . 1 1 96 96 GLY H H 1 0.960 0.048 . . . . . . . . . . 7414 1
63 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.810 0.041 . . . . . . . . . . 7414 1
64 . 1 1 100 100 PHE N N 15 . 1 1 100 100 PHE H H 1 0.930 0.047 . . . . . . . . . . 7414 1
65 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.840 0.042 . . . . . . . . . . 7414 1
66 . 1 1 103 103 LYS N N 15 . 1 1 103 103 LYS H H 1 0.950 0.048 . . . . . . . . . . 7414 1
67 . 1 1 104 104 ILE N N 15 . 1 1 104 104 ILE H H 1 0.890 0.045 . . . . . . . . . . 7414 1
68 . 1 1 105 105 ASP N N 15 . 1 1 105 105 ASP H H 1 0.850 0.043 . . . . . . . . . . 7414 1
69 . 1 1 106 106 ALA N N 15 . 1 1 106 106 ALA H H 1 0.950 0.048 . . . . . . . . . . 7414 1
70 . 1 1 108 108 VAL N N 15 . 1 1 108 108 VAL H H 1 0.890 0.045 . . . . . . . . . . 7414 1
71 . 1 1 109 109 PHE N N 15 . 1 1 109 109 PHE H H 1 0.960 0.048 . . . . . . . . . . 7414 1
72 . 1 1 114 114 TYR N N 15 . 1 1 114 114 TYR H H 1 0.940 0.047 . . . . . . . . . . 7414 1
73 . 1 1 116 116 THR N N 15 . 1 1 116 116 THR H H 1 0.990 0.050 . . . . . . . . . . 7414 1
74 . 1 1 119 119 PHE N N 15 . 1 1 119 119 PHE H H 1 0.960 0.048 . . . . . . . . . . 7414 1
75 . 1 1 120 120 VAL N N 15 . 1 1 120 120 VAL H H 1 0.850 0.043 . . . . . . . . . . 7414 1
76 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.860 0.043 . . . . . . . . . . 7414 1
77 . 1 1 122 122 ASN N N 15 . 1 1 122 122 ASN H H 1 0.850 0.043 . . . . . . . . . . 7414 1
78 . 1 1 124 124 TYR N N 15 . 1 1 124 124 TYR H H 1 0.890 0.045 . . . . . . . . . . 7414 1
79 . 1 1 127 127 TYR N N 15 . 1 1 127 127 TYR H H 1 0.880 0.044 . . . . . . . . . . 7414 1
80 . 1 1 128 128 ASP N N 15 . 1 1 128 128 ASP H H 1 0.970 0.049 . . . . . . . . . . 7414 1
81 . 1 1 129 129 GLU N N 15 . 1 1 129 129 GLU H H 1 0.930 0.047 . . . . . . . . . . 7414 1
82 . 1 1 130 130 ARG N N 15 . 1 1 130 130 ARG H H 1 0.910 0.046 . . . . . . . . . . 7414 1
83 . 1 1 131 131 ARG N N 15 . 1 1 131 131 ARG H H 1 0.910 0.046 . . . . . . . . . . 7414 1
84 . 1 1 132 132 GLN N N 15 . 1 1 132 132 GLN H H 1 0.900 0.045 . . . . . . . . . . 7414 1
85 . 1 1 134 134 MET N N 15 . 1 1 134 134 MET H H 1 0.790 0.040 . . . . . . . . . . 7414 1
86 . 1 1 135 135 ASP N N 15 . 1 1 135 135 ASP H H 1 0.790 0.040 . . . . . . . . . . 7414 1
87 . 1 1 137 137 GLY N N 15 . 1 1 137 137 GLY H H 1 0.720 0.036 . . . . . . . . . . 7414 1
88 . 1 1 143 143 THR N N 15 . 1 1 143 143 THR H H 1 0.920 0.046 . . . . . . . . . . 7414 1
89 . 1 1 144 144 LYS N N 15 . 1 1 144 144 LYS H H 1 0.910 0.046 . . . . . . . . . . 7414 1
90 . 1 1 145 145 ASN N N 15 . 1 1 145 145 ASN H H 1 0.750 0.038 . . . . . . . . . . 7414 1
91 . 1 1 146 146 PHE N N 15 . 1 1 146 146 PHE H H 1 0.850 0.043 . . . . . . . . . . 7414 1
92 . 1 1 147 147 GLN N N 15 . 1 1 147 147 GLN H H 1 0.730 0.036 . . . . . . . . . . 7414 1
93 . 1 1 149 149 ILE N N 15 . 1 1 149 149 ILE H H 1 0.680 0.034 . . . . . . . . . . 7414 1
94 . 1 1 150 150 GLY N N 15 . 1 1 150 150 GLY H H 1 0.850 0.043 . . . . . . . . . . 7414 1
95 . 1 1 152 152 LYS N N 15 . 1 1 152 152 LYS H H 1 0.750 0.038 . . . . . . . . . . 7414 1
96 . 1 1 153 153 ILE N N 15 . 1 1 153 153 ILE H H 1 0.810 0.041 . . . . . . . . . . 7414 1
97 . 1 1 154 154 ASP N N 15 . 1 1 154 154 ASP H H 1 0.950 0.048 . . . . . . . . . . 7414 1
98 . 1 1 155 155 ALA N N 15 . 1 1 155 155 ALA H H 1 0.900 0.045 . . . . . . . . . . 7414 1
99 . 1 1 157 157 PHE N N 15 . 1 1 157 157 PHE H H 1 0.870 0.044 . . . . . . . . . . 7414 1
100 . 1 1 160 160 LYS N N 15 . 1 1 160 160 LYS H H 1 0.790 0.040 . . . . . . . . . . 7414 1
101 . 1 1 161 161 ASN N N 15 . 1 1 161 161 ASN H H 1 0.820 0.041 . . . . . . . . . . 7414 1
102 . 1 1 162 162 LYS N N 15 . 1 1 162 162 LYS H H 1 0.630 0.032 . . . . . . . . . . 7414 1
103 . 1 1 163 163 TYR N N 15 . 1 1 163 163 TYR H H 1 0.890 0.045 . . . . . . . . . . 7414 1
104 . 1 1 164 164 TYR N N 15 . 1 1 164 164 TYR H H 1 0.870 0.044 . . . . . . . . . . 7414 1
105 . 1 1 165 165 TYR N N 15 . 1 1 165 165 TYR H H 1 0.940 0.047 . . . . . . . . . . 7414 1
106 . 1 1 166 166 PHE N N 15 . 1 1 166 166 PHE H H 1 0.910 0.046 . . . . . . . . . . 7414 1
107 . 1 1 167 167 PHE N N 15 . 1 1 167 167 PHE H H 1 0.780 0.039 . . . . . . . . . . 7414 1
108 . 1 1 168 168 GLN N N 15 . 1 1 168 168 GLN H H 1 0.940 0.047 . . . . . . . . . . 7414 1
109 . 1 1 169 169 GLY N N 15 . 1 1 169 169 GLY H H 1 0.960 0.048 . . . . . . . . . . 7414 1
110 . 1 1 171 171 ASN N N 15 . 1 1 171 171 ASN H H 1 0.830 0.042 . . . . . . . . . . 7414 1
111 . 1 1 172 172 GLN N N 15 . 1 1 172 172 GLN H H 1 0.880 0.044 . . . . . . . . . . 7414 1
112 . 1 1 173 173 PHE N N 15 . 1 1 173 173 PHE H H 1 0.870 0.044 . . . . . . . . . . 7414 1
113 . 1 1 175 175 TYR N N 15 . 1 1 175 175 TYR H H 1 0.910 0.046 . . . . . . . . . . 7414 1
114 . 1 1 180 180 GLN N N 15 . 1 1 180 180 GLN H H 1 0.930 0.047 . . . . . . . . . . 7414 1
115 . 1 1 181 181 ARG N N 15 . 1 1 181 181 ARG H H 1 0.740 0.037 . . . . . . . . . . 7414 1
116 . 1 1 182 182 ILE N N 15 . 1 1 182 182 ILE H H 1 0.980 0.049 . . . . . . . . . . 7414 1
117 . 1 1 183 183 THR N N 15 . 1 1 183 183 THR H H 1 0.920 0.046 . . . . . . . . . . 7414 1
118 . 1 1 184 184 LYS N N 15 . 1 1 184 184 LYS H H 1 0.850 0.043 . . . . . . . . . . 7414 1
119 . 1 1 185 185 THR N N 15 . 1 1 185 185 THR H H 1 0.750 0.038 . . . . . . . . . . 7414 1
120 . 1 1 187 187 LYS N N 15 . 1 1 187 187 LYS H H 1 0.950 0.048 . . . . . . . . . . 7414 1
121 . 1 1 189 189 ASN N N 15 . 1 1 189 189 ASN H H 1 0.820 0.041 . . . . . . . . . . 7414 1
122 . 1 1 191 191 TRP N N 15 . 1 1 191 191 TRP H H 1 0.920 0.046 . . . . . . . . . . 7414 1
123 . 1 1 192 192 PHE N N 15 . 1 1 192 192 PHE H H 1 0.950 0.048 . . . . . . . . . . 7414 1
124 . 1 1 193 193 GLY N N 15 . 1 1 193 193 GLY H H 1 0.810 0.041 . . . . . . . . . . 7414 1
125 . 1 1 194 194 CYS N N 15 . 1 1 194 194 CYS H H 1 0.460 0.023 . . . . . . . . . . 7414 1
stop_
save_
########################################
# Heteronuclear T1 relaxation values #
########################################
save_heteronuclear_R1_HPX
_Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation
_Heteronucl_T1_list.Sf_framecode heteronuclear_R1_HPX
_Heteronucl_T1_list.Entry_ID 7414
_Heteronucl_T1_list.ID 1
_Heteronucl_T1_list.Sample_condition_list_ID 1
_Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_T1_list.Spectrometer_frequency_1H 700
_Heteronucl_T1_list.T1_coherence_type NzHz
_Heteronucl_T1_list.T1_val_units s-1
_Heteronucl_T1_list.Details
;
column 1 number
column 2 residue
column 3 R1 (s-1)
column 4 error (s-1)
;
_Heteronucl_T1_list.Text_data_format .
_Heteronucl_T1_list.Text_data .
loop_
_Heteronucl_T1_experiment.Experiment_ID
_Heteronucl_T1_experiment.Experiment_name
_Heteronucl_T1_experiment.Sample_ID
_Heteronucl_T1_experiment.Sample_label
_Heteronucl_T1_experiment.Sample_state
_Heteronucl_T1_experiment.Entry_ID
_Heteronucl_T1_experiment.Heteronucl_T1_list_ID
12 '2D 1H-15N HSQC T1' . . . 7414 1
stop_
loop_
_T1.ID
_T1.Assembly_atom_ID
_T1.Entity_assembly_ID
_T1.Entity_ID
_T1.Comp_index_ID
_T1.Seq_ID
_T1.Comp_ID
_T1.Atom_ID
_T1.Atom_type
_T1.Atom_isotope_number
_T1.Val
_T1.Val_err
_T1.Resonance_ID
_T1.Auth_entity_assembly_ID
_T1.Auth_seq_ID
_T1.Auth_comp_ID
_T1.Auth_atom_ID
_T1.Entry_ID
_T1.Heteronucl_T1_list_ID
1 . 1 1 4 4 ALA N N 15 0.806 0.040 . . . . . 7414 1
2 . 1 1 5 5 LEU N N 15 0.748 0.037 . . . . . 7414 1
3 . 1 1 6 6 CYS N N 15 1.162 0.058 . . . . . 7414 1
4 . 1 1 7 7 ASP N N 15 0.648 0.032 . . . . . 7414 1
5 . 1 1 9 9 ASN N N 15 0.623 0.031 . . . . . 7414 1
6 . 1 1 11 11 SER N N 15 0.745 0.037 . . . . . 7414 1
7 . 1 1 12 12 PHE N N 15 0.749 0.037 . . . . . 7414 1
8 . 1 1 13 13 ASP N N 15 0.636 0.032 . . . . . 7414 1
9 . 1 1 14 14 ALA N N 15 0.641 0.032 . . . . . 7414 1
10 . 1 1 16 16 THR N N 15 0.634 0.032 . . . . . 7414 1
11 . 1 1 17 17 THR N N 15 0.647 0.032 . . . . . 7414 1
12 . 1 1 18 18 VAL N N 15 0.670 0.034 . . . . . 7414 1
13 . 1 1 19 19 GLY N N 15 1.657 0.083 . . . . . 7414 1
14 . 1 1 21 21 LYS N N 15 0.734 0.037 . . . . . 7414 1
15 . 1 1 22 22 ILE N N 15 0.784 0.039 . . . . . 7414 1
16 . 1 1 23 23 PHE N N 15 0.783 0.039 . . . . . 7414 1
17 . 1 1 24 24 PHE N N 15 0.843 0.042 . . . . . 7414 1
18 . 1 1 25 25 PHE N N 15 0.744 0.037 . . . . . 7414 1
19 . 1 1 26 26 LYS N N 15 0.830 0.042 . . . . . 7414 1
20 . 1 1 27 27 ASP N N 15 0.722 0.036 . . . . . 7414 1
21 . 1 1 28 28 ARG N N 15 0.685 0.034 . . . . . 7414 1
22 . 1 1 29 29 PHE N N 15 0.603 0.030 . . . . . 7414 1
23 . 1 1 30 30 PHE N N 15 0.578 0.029 . . . . . 7414 1
24 . 1 1 31 31 TRP N N 15 0.148 0.007 . . . . . 7414 1
25 . 1 1 32 32 LEU N N 15 0.630 0.032 . . . . . 7414 1
26 . 1 1 33 33 LYS N N 15 0.611 0.031 . . . . . 7414 1
27 . 1 1 34 34 VAL N N 15 0.614 0.031 . . . . . 7414 1
28 . 1 1 35 35 SER N N 15 0.696 0.035 . . . . . 7414 1
29 . 1 1 36 36 GLU N N 15 0.627 0.031 . . . . . 7414 1
30 . 1 1 37 37 ARG N N 15 0.569 0.028 . . . . . 7414 1
31 . 1 1 39 39 LYS N N 15 0.705 0.035 . . . . . 7414 1
32 . 1 1 40 40 THR N N 15 0.685 0.034 . . . . . 7414 1
33 . 1 1 43 43 ASN N N 15 0.460 0.023 . . . . . 7414 1
34 . 1 1 44 44 LEU N N 15 0.681 0.034 . . . . . 7414 1
35 . 1 1 45 45 ILE N N 15 0.726 0.036 . . . . . 7414 1
36 . 1 1 46 46 SER N N 15 0.716 0.036 . . . . . 7414 1
37 . 1 1 47 47 SER N N 15 0.548 0.027 . . . . . 7414 1
38 . 1 1 48 48 LEU N N 15 1.141 0.057 . . . . . 7414 1
39 . 1 1 49 49 TRP N N 15 0.944 0.047 . . . . . 7414 1
40 . 1 1 51 51 THR N N 15 1.356 0.068 . . . . . 7414 1
41 . 1 1 52 52 LEU N N 15 0.531 0.027 . . . . . 7414 1
42 . 1 1 54 54 SER N N 15 0.623 0.031 . . . . . 7414 1
43 . 1 1 55 55 GLY N N 15 0.644 0.032 . . . . . 7414 1
44 . 1 1 56 56 ILE N N 15 0.682 0.034 . . . . . 7414 1
45 . 1 1 57 57 GLU N N 15 0.622 0.031 . . . . . 7414 1
46 . 1 1 58 58 ALA N N 15 0.877 0.044 . . . . . 7414 1
47 . 1 1 59 59 ALA N N 15 0.488 0.024 . . . . . 7414 1
48 . 1 1 60 60 TYR N N 15 0.729 0.036 . . . . . 7414 1
49 . 1 1 61 61 GLU N N 15 0.644 0.032 . . . . . 7414 1
50 . 1 1 62 62 ILE N N 15 0.856 0.043 . . . . . 7414 1
51 . 1 1 63 63 GLU N N 15 1.018 0.051 . . . . . 7414 1
52 . 1 1 64 64 ALA N N 15 0.759 0.038 . . . . . 7414 1
53 . 1 1 65 65 ARG N N 15 1.358 0.068 . . . . . 7414 1
54 . 1 1 66 66 ASN N N 15 0.587 0.029 . . . . . 7414 1
55 . 1 1 67 67 GLN N N 15 0.414 0.021 . . . . . 7414 1
56 . 1 1 68 68 VAL N N 15 1.133 0.057 . . . . . 7414 1
57 . 1 1 73 73 ASP N N 15 0.710 0.035 . . . . . 7414 1
58 . 1 1 74 74 ASP N N 15 0.693 0.035 . . . . . 7414 1
59 . 1 1 75 75 LYS N N 15 0.757 0.038 . . . . . 7414 1
60 . 1 1 76 76 TYR N N 15 0.759 0.038 . . . . . 7414 1
61 . 1 1 79 79 ILE N N 15 0.856 0.043 . . . . . 7414 1
62 . 1 1 80 80 SER N N 15 0.568 0.028 . . . . . 7414 1
63 . 1 1 81 81 ASN N N 15 0.639 0.032 . . . . . 7414 1
64 . 1 1 82 82 LEU N N 15 0.708 0.035 . . . . . 7414 1
65 . 1 1 83 83 ARG N N 15 0.768 0.038 . . . . . 7414 1
66 . 1 1 85 85 GLU N N 15 0.807 0.040 . . . . . 7414 1
67 . 1 1 87 87 ASN N N 15 0.681 0.034 . . . . . 7414 1
68 . 1 1 88 88 TYR N N 15 0.686 0.034 . . . . . 7414 1
69 . 1 1 90 90 LYS N N 15 0.917 0.046 . . . . . 7414 1
70 . 1 1 91 91 SER N N 15 1.145 0.057 . . . . . 7414 1
71 . 1 1 93 93 HIS N N 15 0.937 0.047 . . . . . 7414 1
72 . 1 1 94 94 SER N N 15 0.764 0.038 . . . . . 7414 1
73 . 1 1 95 95 PHE N N 15 1.000 0.050 . . . . . 7414 1
74 . 1 1 96 96 GLY N N 15 0.794 0.040 . . . . . 7414 1
75 . 1 1 97 97 PHE N N 15 0.826 0.041 . . . . . 7414 1
76 . 1 1 100 100 PHE N N 15 0.722 0.036 . . . . . 7414 1
77 . 1 1 101 101 VAL N N 15 0.695 0.035 . . . . . 7414 1
78 . 1 1 102 102 LYS N N 15 0.611 0.031 . . . . . 7414 1
79 . 1 1 103 103 LYS N N 15 1.469 0.073 . . . . . 7414 1
80 . 1 1 104 104 ILE N N 15 0.743 0.037 . . . . . 7414 1
81 . 1 1 105 105 ASP N N 15 0.791 0.040 . . . . . 7414 1
82 . 1 1 106 106 ALA N N 15 0.868 0.043 . . . . . 7414 1
83 . 1 1 107 107 ALA N N 15 0.882 0.044 . . . . . 7414 1
84 . 1 1 108 108 VAL N N 15 0.856 0.043 . . . . . 7414 1
85 . 1 1 109 109 PHE N N 15 0.733 0.037 . . . . . 7414 1
86 . 1 1 110 110 ASN N N 15 0.763 0.038 . . . . . 7414 1
87 . 1 1 112 112 ARG N N 15 1.335 0.067 . . . . . 7414 1
88 . 1 1 113 113 PHE N N 15 1.105 0.055 . . . . . 7414 1
89 . 1 1 114 114 TYR N N 15 0.766 0.038 . . . . . 7414 1
90 . 1 1 115 115 ARG N N 15 0.747 0.037 . . . . . 7414 1
91 . 1 1 116 116 THR N N 15 0.711 0.036 . . . . . 7414 1
92 . 1 1 117 117 TYR N N 15 1.138 0.057 . . . . . 7414 1
93 . 1 1 118 118 PHE N N 15 1.170 0.058 . . . . . 7414 1
94 . 1 1 119 119 PHE N N 15 0.696 0.035 . . . . . 7414 1
95 . 1 1 120 120 VAL N N 15 0.759 0.038 . . . . . 7414 1
96 . 1 1 121 121 ASP N N 15 1.499 0.075 . . . . . 7414 1
97 . 1 1 122 122 ASN N N 15 0.659 0.033 . . . . . 7414 1
98 . 1 1 123 123 GLN N N 15 0.751 0.038 . . . . . 7414 1
99 . 1 1 124 124 TYR N N 15 0.700 0.035 . . . . . 7414 1
100 . 1 1 125 125 TRP N N 15 0.595 0.030 . . . . . 7414 1
101 . 1 1 126 126 ARG N N 15 0.643 0.032 . . . . . 7414 1
102 . 1 1 127 127 TYR N N 15 0.824 0.041 . . . . . 7414 1
103 . 1 1 128 128 ASP N N 15 0.639 0.032 . . . . . 7414 1
104 . 1 1 129 129 GLU N N 15 0.599 0.030 . . . . . 7414 1
105 . 1 1 130 130 ARG N N 15 0.725 0.036 . . . . . 7414 1
106 . 1 1 131 131 ARG N N 15 0.647 0.032 . . . . . 7414 1
107 . 1 1 132 132 GLN N N 15 0.926 0.046 . . . . . 7414 1
108 . 1 1 134 134 MET N N 15 0.131 0.007 . . . . . 7414 1
109 . 1 1 135 135 ASP N N 15 0.750 0.038 . . . . . 7414 1
110 . 1 1 137 137 GLY N N 15 0.639 0.032 . . . . . 7414 1
111 . 1 1 138 138 TYR N N 15 0.797 0.040 . . . . . 7414 1
112 . 1 1 141 141 LEU N N 15 0.581 0.029 . . . . . 7414 1
113 . 1 1 142 142 ILE N N 15 0.827 0.041 . . . . . 7414 1
114 . 1 1 143 143 THR N N 15 0.770 0.039 . . . . . 7414 1
115 . 1 1 144 144 LYS N N 15 0.748 0.037 . . . . . 7414 1
116 . 1 1 145 145 ASN N N 15 1.149 0.057 . . . . . 7414 1
117 . 1 1 147 147 GLN N N 15 0.921 0.046 . . . . . 7414 1
118 . 1 1 148 148 GLY N N 15 0.724 0.036 . . . . . 7414 1
119 . 1 1 149 149 ILE N N 15 0.817 0.041 . . . . . 7414 1
120 . 1 1 150 150 GLY N N 15 0.375 0.019 . . . . . 7414 1
121 . 1 1 152 152 LYS N N 15 0.845 0.042 . . . . . 7414 1
122 . 1 1 153 153 ILE N N 15 0.724 0.036 . . . . . 7414 1
123 . 1 1 154 154 ASP N N 15 0.663 0.033 . . . . . 7414 1
124 . 1 1 155 155 ALA N N 15 0.895 0.045 . . . . . 7414 1
125 . 1 1 156 156 VAL N N 15 0.637 0.032 . . . . . 7414 1
126 . 1 1 157 157 PHE N N 15 0.810 0.041 . . . . . 7414 1
127 . 1 1 158 158 TYR N N 15 0.597 0.030 . . . . . 7414 1
128 . 1 1 159 159 SER N N 15 0.701 0.035 . . . . . 7414 1
129 . 1 1 160 160 LYS N N 15 0.723 0.036 . . . . . 7414 1
130 . 1 1 161 161 ASN N N 15 0.485 0.024 . . . . . 7414 1
131 . 1 1 162 162 LYS N N 15 0.675 0.034 . . . . . 7414 1
132 . 1 1 164 164 TYR N N 15 0.671 0.034 . . . . . 7414 1
133 . 1 1 165 165 TYR N N 15 0.778 0.039 . . . . . 7414 1
134 . 1 1 166 166 PHE N N 15 0.709 0.035 . . . . . 7414 1
135 . 1 1 167 167 PHE N N 15 0.625 0.031 . . . . . 7414 1
136 . 1 1 168 168 GLN N N 15 0.611 0.031 . . . . . 7414 1
137 . 1 1 169 169 GLY N N 15 0.650 0.033 . . . . . 7414 1
138 . 1 1 170 170 SER N N 15 1.555 0.078 . . . . . 7414 1
139 . 1 1 171 171 ASN N N 15 0.884 0.044 . . . . . 7414 1
140 . 1 1 172 172 GLN N N 15 0.789 0.039 . . . . . 7414 1
141 . 1 1 173 173 PHE N N 15 0.683 0.034 . . . . . 7414 1
142 . 1 1 174 174 GLU N N 15 0.619 0.031 . . . . . 7414 1
143 . 1 1 175 175 TYR N N 15 0.664 0.033 . . . . . 7414 1
144 . 1 1 176 176 ASP N N 15 0.262 0.013 . . . . . 7414 1
145 . 1 1 177 177 PHE N N 15 0.676 0.034 . . . . . 7414 1
146 . 1 1 180 180 GLN N N 15 0.581 0.029 . . . . . 7414 1
147 . 1 1 181 181 ARG N N 15 0.823 0.041 . . . . . 7414 1
148 . 1 1 182 182 ILE N N 15 0.623 0.031 . . . . . 7414 1
149 . 1 1 183 183 THR N N 15 0.350 0.017 . . . . . 7414 1
150 . 1 1 184 184 LYS N N 15 0.515 0.026 . . . . . 7414 1
151 . 1 1 185 185 THR N N 15 0.663 0.033 . . . . . 7414 1
152 . 1 1 186 186 LEU N N 15 0.571 0.029 . . . . . 7414 1
153 . 1 1 187 187 LYS N N 15 0.519 0.026 . . . . . 7414 1
154 . 1 1 188 188 SER N N 15 0.850 0.043 . . . . . 7414 1
155 . 1 1 189 189 ASN N N 15 0.559 0.028 . . . . . 7414 1
156 . 1 1 190 190 SER N N 15 0.769 0.038 . . . . . 7414 1
157 . 1 1 191 191 TRP N N 15 0.540 0.027 . . . . . 7414 1
158 . 1 1 192 192 PHE N N 15 0.525 0.026 . . . . . 7414 1
159 . 1 1 193 193 GLY N N 15 0.623 0.031 . . . . . 7414 1
160 . 1 1 194 194 CYS N N 15 0.515 0.026 . . . . . 7414 1
stop_
save_
########################################
# Heteronuclear T2 relaxation values #
########################################
save_heteronuclear_R2_HPX
_Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation
_Heteronucl_T2_list.Sf_framecode heteronuclear_R2_HPX
_Heteronucl_T2_list.Entry_ID 7414
_Heteronucl_T2_list.ID 1
_Heteronucl_T2_list.Sample_condition_list_ID 1
_Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_T2_list.Temp_calibration_method .
_Heteronucl_T2_list.Temp_control_method .
_Heteronucl_T2_list.Spectrometer_frequency_1H 700
_Heteronucl_T2_list.T2_coherence_type NzHz
_Heteronucl_T2_list.T2_val_units s-1
_Heteronucl_T2_list.Rex_units .
_Heteronucl_T2_list.Details
;
column 1 number
column 2 residue
column 3 R2 (s-1)
column 4 error (s-1)
;
_Heteronucl_T2_list.Text_data_format .
_Heteronucl_T2_list.Text_data .
loop_
_Heteronucl_T2_experiment.Experiment_ID
_Heteronucl_T2_experiment.Experiment_name
_Heteronucl_T2_experiment.Sample_ID
_Heteronucl_T2_experiment.Sample_label
_Heteronucl_T2_experiment.Sample_state
_Heteronucl_T2_experiment.Entry_ID
_Heteronucl_T2_experiment.Heteronucl_T2_list_ID
13 '2D 1H-15N HSQC T2' . . . 7414 1
stop_
loop_
_T2.ID
_T2.Assembly_atom_ID
_T2.Entity_assembly_ID
_T2.Entity_ID
_T2.Comp_index_ID
_T2.Seq_ID
_T2.Comp_ID
_T2.Atom_ID
_T2.Atom_type
_T2.Atom_isotope_number
_T2.T2_val
_T2.T2_val_err
_T2.Rex_val
_T2.Rex_err
_T2.Resonance_ID
_T2.Auth_entity_assembly_ID
_T2.Auth_seq_ID
_T2.Auth_comp_ID
_T2.Auth_atom_ID
_T2.Entry_ID
_T2.Heteronucl_T2_list_ID
1 . 1 1 4 4 ALA N N 15 13.20 0.66 . . . . . . . 7414 1
2 . 1 1 5 5 LEU N N 15 17.55 0.88 . . . . . . . 7414 1
3 . 1 1 6 6 CYS N N 15 20.79 1.04 . . . . . . . 7414 1
4 . 1 1 7 7 ASP N N 15 16.62 0.83 . . . . . . . 7414 1
5 . 1 1 9 9 ASN N N 15 19.71 0.99 . . . . . . . 7414 1
6 . 1 1 11 11 SER N N 15 20.83 1.04 . . . . . . . 7414 1
7 . 1 1 12 12 PHE N N 15 20.39 1.02 . . . . . . . 7414 1
8 . 1 1 13 13 ASP N N 15 18.84 0.94 . . . . . . . 7414 1
9 . 1 1 14 14 ALA N N 15 21.72 1.09 . . . . . . . 7414 1
10 . 1 1 16 16 THR N N 15 23.08 1.15 . . . . . . . 7414 1
11 . 1 1 18 18 VAL N N 15 25.30 1.27 . . . . . . . 7414 1
12 . 1 1 19 19 GLY N N 15 21.88 1.09 . . . . . . . 7414 1
13 . 1 1 21 21 LYS N N 15 20.19 1.01 . . . . . . . 7414 1
14 . 1 1 22 22 ILE N N 15 20.83 1.04 . . . . . . . 7414 1
15 . 1 1 23 23 PHE N N 15 19.62 0.98 . . . . . . . 7414 1
16 . 1 1 24 24 PHE N N 15 20.82 1.04 . . . . . . . 7414 1
17 . 1 1 25 25 PHE N N 15 20.03 1.00 . . . . . . . 7414 1
18 . 1 1 26 26 LYS N N 15 18.94 0.95 . . . . . . . 7414 1
19 . 1 1 27 27 ASP N N 15 18.36 0.92 . . . . . . . 7414 1
20 . 1 1 28 28 ARG N N 15 19.23 0.96 . . . . . . . 7414 1
21 . 1 1 29 29 PHE N N 15 21.40 1.07 . . . . . . . 7414 1
22 . 1 1 30 30 PHE N N 15 19.83 0.99 . . . . . . . 7414 1
23 . 1 1 31 31 TRP N N 15 20.46 1.02 . . . . . . . 7414 1
24 . 1 1 32 32 LEU N N 15 19.85 0.99 . . . . . . . 7414 1
25 . 1 1 33 33 LYS N N 15 21.32 1.07 . . . . . . . 7414 1
26 . 1 1 34 34 VAL N N 15 18.90 0.94 . . . . . . . 7414 1
27 . 1 1 35 35 SER N N 15 20.14 1.01 . . . . . . . 7414 1
28 . 1 1 36 36 GLU N N 15 14.86 0.74 . . . . . . . 7414 1
29 . 1 1 37 37 ARG N N 15 19.77 0.99 . . . . . . . 7414 1
30 . 1 1 39 39 LYS N N 15 10.81 0.54 . . . . . . . 7414 1
31 . 1 1 40 40 THR N N 15 13.93 0.70 . . . . . . . 7414 1
32 . 1 1 43 43 ASN N N 15 18.77 0.94 . . . . . . . 7414 1
33 . 1 1 44 44 LEU N N 15 18.57 0.93 . . . . . . . 7414 1
34 . 1 1 45 45 ILE N N 15 18.72 0.94 . . . . . . . 7414 1
35 . 1 1 46 46 SER N N 15 19.44 0.97 . . . . . . . 7414 1
36 . 1 1 47 47 SER N N 15 21.69 1.08 . . . . . . . 7414 1
37 . 1 1 48 48 LEU N N 15 16.99 0.85 . . . . . . . 7414 1
38 . 1 1 49 49 TRP N N 15 18.35 0.92 . . . . . . . 7414 1
39 . 1 1 51 51 THR N N 15 19.83 0.99 . . . . . . . 7414 1
40 . 1 1 52 52 LEU N N 15 20.91 1.05 . . . . . . . 7414 1
41 . 1 1 54 54 SER N N 15 16.34 0.82 . . . . . . . 7414 1
42 . 1 1 56 56 ILE N N 15 19.01 0.95 . . . . . . . 7414 1
43 . 1 1 58 58 ALA N N 15 21.29 1.06 . . . . . . . 7414 1
44 . 1 1 59 59 ALA N N 15 19.03 0.95 . . . . . . . 7414 1
45 . 1 1 60 60 TYR N N 15 27.07 1.35 . . . . . . . 7414 1
46 . 1 1 61 61 GLU N N 15 28.12 1.41 . . . . . . . 7414 1
47 . 1 1 63 63 GLU N N 15 19.15 0.96 . . . . . . . 7414 1
48 . 1 1 64 64 ALA N N 15 23.09 1.15 . . . . . . . 7414 1
49 . 1 1 65 65 ARG N N 15 19.05 0.95 . . . . . . . 7414 1
50 . 1 1 66 66 ASN N N 15 22.30 1.11 . . . . . . . 7414 1
51 . 1 1 67 67 GLN N N 15 18.91 0.95 . . . . . . . 7414 1
52 . 1 1 68 68 VAL N N 15 19.12 0.96 . . . . . . . 7414 1
53 . 1 1 69 69 PHE N N 15 19.85 0.99 . . . . . . . 7414 1
54 . 1 1 70 70 LEU N N 15 22.72 1.14 . . . . . . . 7414 1
55 . 1 1 74 74 ASP N N 15 22.87 1.14 . . . . . . . 7414 1
56 . 1 1 75 75 LYS N N 15 19.79 0.99 . . . . . . . 7414 1
57 . 1 1 76 76 TYR N N 15 20.14 1.01 . . . . . . . 7414 1
58 . 1 1 79 79 ILE N N 15 19.20 0.96 . . . . . . . 7414 1
59 . 1 1 80 80 SER N N 15 19.83 0.99 . . . . . . . 7414 1
60 . 1 1 81 81 ASN N N 15 16.97 0.85 . . . . . . . 7414 1
61 . 1 1 82 82 LEU N N 15 22.81 1.14 . . . . . . . 7414 1
62 . 1 1 83 83 ARG N N 15 19.68 0.98 . . . . . . . 7414 1
63 . 1 1 85 85 GLU N N 15 19.45 0.97 . . . . . . . 7414 1
64 . 1 1 87 87 ASN N N 15 31.64 1.58 . . . . . . . 7414 1
65 . 1 1 88 88 TYR N N 15 19.98 1.00 . . . . . . . 7414 1
66 . 1 1 91 91 SER N N 15 19.23 0.96 . . . . . . . 7414 1
67 . 1 1 93 93 HIS N N 15 21.87 1.09 . . . . . . . 7414 1
68 . 1 1 94 94 SER N N 15 25.85 1.29 . . . . . . . 7414 1
69 . 1 1 95 95 PHE N N 15 20.26 1.01 . . . . . . . 7414 1
70 . 1 1 96 96 GLY N N 15 18.70 0.94 . . . . . . . 7414 1
71 . 1 1 97 97 PHE N N 15 19.27 0.96 . . . . . . . 7414 1
72 . 1 1 100 100 PHE N N 15 19.96 1.00 . . . . . . . 7414 1
73 . 1 1 101 101 VAL N N 15 20.67 1.03 . . . . . . . 7414 1
74 . 1 1 103 103 LYS N N 15 20.06 1.00 . . . . . . . 7414 1
75 . 1 1 104 104 ILE N N 15 22.27 1.11 . . . . . . . 7414 1
76 . 1 1 105 105 ASP N N 15 22.89 1.14 . . . . . . . 7414 1
77 . 1 1 106 106 ALA N N 15 21.28 1.06 . . . . . . . 7414 1
78 . 1 1 107 107 ALA N N 15 20.67 1.03 . . . . . . . 7414 1
79 . 1 1 108 108 VAL N N 15 20.02 1.00 . . . . . . . 7414 1
80 . 1 1 109 109 PHE N N 15 23.31 1.17 . . . . . . . 7414 1
81 . 1 1 110 110 ASN N N 15 31.09 1.55 . . . . . . . 7414 1
82 . 1 1 114 114 TYR N N 15 21.65 1.08 . . . . . . . 7414 1
83 . 1 1 116 116 THR N N 15 21.60 1.08 . . . . . . . 7414 1
84 . 1 1 117 117 TYR N N 15 20.41 1.02 . . . . . . . 7414 1
85 . 1 1 118 118 PHE N N 15 21.06 1.05 . . . . . . . 7414 1
86 . 1 1 119 119 PHE N N 15 19.90 0.99 . . . . . . . 7414 1
87 . 1 1 120 120 VAL N N 15 19.05 0.95 . . . . . . . 7414 1
88 . 1 1 121 121 ASP N N 15 20.64 1.03 . . . . . . . 7414 1
89 . 1 1 122 122 ASN N N 15 19.88 0.99 . . . . . . . 7414 1
90 . 1 1 123 123 GLN N N 15 26.59 1.33 . . . . . . . 7414 1
91 . 1 1 124 124 TYR N N 15 21.22 1.06 . . . . . . . 7414 1
92 . 1 1 126 126 ARG N N 15 19.53 0.98 . . . . . . . 7414 1
93 . 1 1 127 127 TYR N N 15 20.32 1.02 . . . . . . . 7414 1
94 . 1 1 128 128 ASP N N 15 20.88 1.04 . . . . . . . 7414 1
95 . 1 1 129 129 GLU N N 15 19.05 0.95 . . . . . . . 7414 1
96 . 1 1 130 130 ARG N N 15 19.88 0.99 . . . . . . . 7414 1
97 . 1 1 131 131 ARG N N 15 18.25 0.91 . . . . . . . 7414 1
98 . 1 1 132 132 GLN N N 15 20.81 1.04 . . . . . . . 7414 1
99 . 1 1 134 134 MET N N 15 19.91 1.00 . . . . . . . 7414 1
100 . 1 1 135 135 ASP N N 15 20.88 1.04 . . . . . . . 7414 1
101 . 1 1 137 137 GLY N N 15 21.24 1.06 . . . . . . . 7414 1
102 . 1 1 138 138 TYR N N 15 19.15 0.96 . . . . . . . 7414 1
103 . 1 1 141 141 LEU N N 15 21.27 1.06 . . . . . . . 7414 1
104 . 1 1 142 142 ILE N N 15 16.29 0.81 . . . . . . . 7414 1
105 . 1 1 143 143 THR N N 15 20.52 1.03 . . . . . . . 7414 1
106 . 1 1 144 144 LYS N N 15 18.98 0.95 . . . . . . . 7414 1
107 . 1 1 145 145 ASN N N 15 18.55 0.93 . . . . . . . 7414 1
108 . 1 1 146 146 PHE N N 15 18.80 0.94 . . . . . . . 7414 1
109 . 1 1 147 147 GLN N N 15 17.20 0.86 . . . . . . . 7414 1
110 . 1 1 148 148 GLY N N 15 18.53 0.93 . . . . . . . 7414 1
111 . 1 1 149 149 ILE N N 15 21.62 1.08 . . . . . . . 7414 1
112 . 1 1 150 150 GLY N N 15 18.92 0.95 . . . . . . . 7414 1
113 . 1 1 152 152 LYS N N 15 17.93 0.90 . . . . . . . 7414 1
114 . 1 1 153 153 ILE N N 15 19.60 0.98 . . . . . . . 7414 1
115 . 1 1 154 154 ASP N N 15 22.72 1.14 . . . . . . . 7414 1
116 . 1 1 155 155 ALA N N 15 20.21 1.01 . . . . . . . 7414 1
117 . 1 1 156 156 VAL N N 15 24.03 1.20 . . . . . . . 7414 1
118 . 1 1 157 157 PHE N N 15 20.98 1.05 . . . . . . . 7414 1
119 . 1 1 158 158 TYR N N 15 19.13 0.96 . . . . . . . 7414 1
120 . 1 1 159 159 SER N N 15 20.39 1.02 . . . . . . . 7414 1
121 . 1 1 160 160 LYS N N 15 25.94 1.30 . . . . . . . 7414 1
122 . 1 1 161 161 ASN N N 15 30.44 1.52 . . . . . . . 7414 1
123 . 1 1 162 162 LYS N N 15 18.85 0.94 . . . . . . . 7414 1
124 . 1 1 163 163 TYR N N 15 21.47 1.07 . . . . . . . 7414 1
125 . 1 1 164 164 TYR N N 15 20.13 1.01 . . . . . . . 7414 1
126 . 1 1 165 165 TYR N N 15 19.24 0.96 . . . . . . . 7414 1
127 . 1 1 166 166 PHE N N 15 19.09 0.95 . . . . . . . 7414 1
128 . 1 1 167 167 PHE N N 15 19.24 0.96 . . . . . . . 7414 1
129 . 1 1 168 168 GLN N N 15 18.54 0.93 . . . . . . . 7414 1
130 . 1 1 169 169 GLY N N 15 19.41 0.97 . . . . . . . 7414 1
131 . 1 1 170 170 SER N N 15 25.21 1.26 . . . . . . . 7414 1
132 . 1 1 171 171 ASN N N 15 21.70 1.08 . . . . . . . 7414 1
133 . 1 1 172 172 GLN N N 15 19.44 0.97 . . . . . . . 7414 1
134 . 1 1 173 173 PHE N N 15 19.63 0.98 . . . . . . . 7414 1
135 . 1 1 174 174 GLU N N 15 17.97 0.90 . . . . . . . 7414 1
136 . 1 1 175 175 TYR N N 15 19.83 0.99 . . . . . . . 7414 1
137 . 1 1 176 176 ASP N N 15 19.54 0.98 . . . . . . . 7414 1
138 . 1 1 177 177 PHE N N 15 20.78 1.04 . . . . . . . 7414 1
139 . 1 1 179 179 LEU N N 15 19.33 0.97 . . . . . . . 7414 1
140 . 1 1 180 180 GLN N N 15 19.55 0.98 . . . . . . . 7414 1
141 . 1 1 181 181 ARG N N 15 16.39 0.82 . . . . . . . 7414 1
142 . 1 1 182 182 ILE N N 15 19.94 1.00 . . . . . . . 7414 1
143 . 1 1 183 183 THR N N 15 22.64 1.13 . . . . . . . 7414 1
144 . 1 1 184 184 LYS N N 15 19.17 0.96 . . . . . . . 7414 1
145 . 1 1 185 185 THR N N 15 18.61 0.93 . . . . . . . 7414 1
146 . 1 1 186 186 LEU N N 15 20.74 1.04 . . . . . . . 7414 1
147 . 1 1 187 187 LYS N N 15 19.32 0.97 . . . . . . . 7414 1
148 . 1 1 189 189 ASN N N 15 19.60 0.98 . . . . . . . 7414 1
149 . 1 1 191 191 TRP N N 15 21.41 1.07 . . . . . . . 7414 1
150 . 1 1 192 192 PHE N N 15 20.44 1.02 . . . . . . . 7414 1
151 . 1 1 193 193 GLY N N 15 19.96 1.00 . . . . . . . 7414 1
152 . 1 1 194 194 CYS N N 15 13.78 0.69 . . . . . . . 7414 1
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