data_17080
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 17080
_Entry.Title
;
Shc-PTB:biphosphorylated integrin beta3 cytoplasmic tail complex (1:1)
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-07-27
_Entry.Accession_date 2010-07-27
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.13
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Lalit Deshmukh . . . 17080
2 Vitaliy Gorbatyuk . . . 17080
3 Olga Vinogradova . . . 17080
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 'not applicable' 'not applicable' . 17080
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'cytoplasmic tail' . 17080
'integrin beta3' . 17080
Shc-PTB . 17080
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 17080
heteronucl_NOEs 1 17080
heteronucl_T1_relaxation 1 17080
heteronucl_T2_relaxation 1 17080
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 720 17080
'15N chemical shifts' 181 17080
'1H chemical shifts' 1322 17080
'heteronuclear NOE values' 154 17080
'T1 relaxation values' 154 17080
'T2 relaxation values' 154 17080
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
2 . . 2010-11-09 2010-07-27 update BMRB 'update entry citation' 17080
1 . . 2010-09-02 2010-07-27 original author 'original release' 17080
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 17080
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 20739287
_Citation.Full_citation .
_Citation.Title 'Integrin {beta}3 phosphorylation dictates its complex with the Shc phosphotyrosine-binding (PTB) domain.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Biol. Chem.'
_Citation.Journal_name_full 'The Journal of biological chemistry'
_Citation.Journal_volume 285
_Citation.Journal_issue 45
_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 34875
_Citation.Page_last 34884
_Citation.Year 2010
_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 Lalit Deshmukh . . . 17080 1
2 Vitaliy Gorbatyuk . . . 17080 1
3 Olga Vinogradova . . . 17080 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 17080
_Assembly.ID 1
_Assembly.Name 'Shc-PTB complex with Integrin beta3'
_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 .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'Shc PTB domain' 1 $Shc_PTB A . yes native no no . . . 17080 1
2 'Integrin beta3' 2 $Integrin_beta3 B . yes native no no . . . 17080 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_Shc_PTB
_Entity.Sf_category entity
_Entity.Sf_framecode Shc_PTB
_Entity.Entry_ID 17080
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name Shc-PTB
_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
;
GSSHHHHHHSSGLVPRGSHM
GQLGGEEWTRHGSFVNKPTR
GWLHPNDKVMGPGVSYLVRY
MGCVEVLQSMRALDFNTRTQ
VTREAISLVCEAVPGAKGAT
RRRKPCSRPLSSILGRSNLK
FAGMPITLTVSTSSLNLMAA
DCKQIIANHHMQSISFASGG
DPDTAEYVAYVAKDPVNQRA
CHILECPEGLAQDVISTIGQ
AFELRFKQYLR
;
_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 no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 211
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state unknown
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 20996.234
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 1N3H . "Coupling Of Folding And Binding In The Ptb Domain Of The Signaling Protein Shc" . . . . . 90.52 207 100.00 100.00 1.16e-139 . . . . 17080 1
2 no PDB 1OY2 . "Coupling Of Folding And Binding In The Ptb Domain Of The Signaling Protein Shc" . . . . . 90.52 207 100.00 100.00 1.16e-139 . . . . 17080 1
3 no PDB 1SHC . "Shc Ptb Domain Complexed With A Trka Receptor Phosphopeptide, Nmr, Minimized Average Structure" . . . . . 92.42 195 100.00 100.00 6.63e-143 . . . . 17080 1
4 no PDB 2L1C . "Shc-Ptb:biphosphorylated Integrin Beta3 Cytoplasmic Tail Complex (1:1)" . . . . . 100.00 211 100.00 100.00 2.24e-155 . . . . 17080 1
5 no PDB 4XWX . "Crystal Structure Of The Ptb Domain Of Shc" . . . . . 78.20 167 100.00 100.00 9.36e-118 . . . . 17080 1
6 no DBJ BAA74950 . "shc transforming protein [Rattus norvegicus]" . . . . . 65.40 138 100.00 100.00 2.56e-95 . . . . 17080 1
7 no DBJ BAC33706 . "unnamed protein product [Mus musculus]" . . . . . 90.52 469 100.00 100.00 3.16e-135 . . . . 17080 1
8 no DBJ BAE33083 . "unnamed protein product [Mus musculus]" . . . . . 90.52 579 100.00 100.00 1.25e-134 . . . . 17080 1
9 no DBJ BAF84832 . "unnamed protein product [Homo sapiens]" . . . . . 90.52 474 100.00 100.00 2.82e-135 . . . . 17080 1
10 no DBJ BAF98733 . "unnamed protein product [Homo sapiens]" . . . . . 90.52 474 100.00 100.00 2.82e-135 . . . . 17080 1
11 no EMBL CAA48251 . "SHC transforming protein [Homo sapiens]" . . . . . 90.52 473 100.00 100.00 2.73e-135 . . . . 17080 1
12 no EMBL CAA70977 . "shc p66 [Homo sapiens]" . . . . . 90.52 583 100.00 100.00 9.62e-135 . . . . 17080 1
13 no EMBL CAH92143 . "hypothetical protein [Pongo abelii]" . . . . . 90.52 583 100.00 100.00 1.42e-134 . . . . 17080 1
14 no GB AAA91777 . "src homology collagen protein 66 kDa isoform [Mus musculus]" . . . . . 90.52 579 100.00 100.00 1.25e-134 . . . . 17080 1
15 no GB AAB49972 . "p66shc [Homo sapiens]" . . . . . 90.52 583 100.00 100.00 1.12e-134 . . . . 17080 1
16 no GB AAC52146 . "Shcp52 [Mus musculus]" . . . . . 90.52 469 100.00 100.00 3.16e-135 . . . . 17080 1
17 no GB AAH14158 . "SHC (Src homology 2 domain containing) transforming protein 1 [Homo sapiens]" . . . . . 90.52 474 100.00 100.00 2.82e-135 . . . . 17080 1
18 no GB AAH36172 . "Src homology 2 domain-containing transforming protein C1 [Mus musculus]" . . . . . 90.52 469 100.00 100.00 3.16e-135 . . . . 17080 1
19 no REF NP_001068773 . "SHC-transforming protein 1 isoform b [Bos taurus]" . . . . . 90.52 473 100.00 100.00 1.75e-135 . . . . 17080 1
20 no REF NP_001106802 . "SHC-transforming protein 1 isoform a [Mus musculus]" . . . . . 90.52 579 100.00 100.00 1.25e-134 . . . . 17080 1
21 no REF NP_001123512 . "SHC-transforming protein 1 isoform 3 [Homo sapiens]" . . . . . 90.52 584 100.00 100.00 1.15e-134 . . . . 17080 1
22 no REF NP_001123513 . "SHC-transforming protein 1 isoform 4 [Homo sapiens]" . . . . . 90.52 473 100.00 100.00 2.73e-135 . . . . 17080 1
23 no REF NP_001126253 . "SHC-transforming protein 1 [Pongo abelii]" . . . . . 90.52 583 100.00 100.00 1.42e-134 . . . . 17080 1
24 no SP P29353 . "RecName: Full=SHC-transforming protein 1; AltName: Full=SHC-transforming protein 3; AltName: Full=SHC-transforming protein A; A" . . . . . 90.52 583 100.00 100.00 1.00e-134 . . . . 17080 1
25 no SP P98083 . "RecName: Full=SHC-transforming protein 1; AltName: Full=SHC-transforming protein A; AltName: Full=Src homology 2 domain-contain" . . . . . 90.52 579 100.00 100.00 1.25e-134 . . . . 17080 1
26 no SP Q0IIE2 . "RecName: Full=SHC-transforming protein 1; AltName: Full=Src homology 2 domain-containing-transforming protein C1; Short=SH2 dom" . . . . . 90.52 473 100.00 100.00 1.75e-135 . . . . 17080 1
27 no SP Q5M824 . "RecName: Full=SHC-transforming protein 1; AltName: Full=Src homology 2 domain-containing-transforming protein C1; Short=SH2 dom" . . . . . 90.52 469 99.48 99.48 1.88e-134 . . . . 17080 1
28 no SP Q5R7W7 . "RecName: Full=SHC-transforming protein 1; AltName: Full=Src homology 2 domain-containing-transforming protein C1; Short=SH2 dom" . . . . . 90.52 583 100.00 100.00 1.42e-134 . . . . 17080 1
29 no TPG DAA31779 . "TPA: SHC-transforming protein 1 isoform b [Bos taurus]" . . . . . 90.52 473 100.00 100.00 1.75e-135 . . . . 17080 1
30 no TPG DAA31780 . "TPA: SHC-transforming protein 1 isoform a [Bos taurus]" . . . . . 90.52 583 100.00 100.00 4.76e-135 . . . . 17080 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 -3 GLY . 17080 1
2 -2 SER . 17080 1
3 -1 SER . 17080 1
4 0 HIS . 17080 1
5 1 HIS . 17080 1
6 2 HIS . 17080 1
7 3 HIS . 17080 1
8 4 HIS . 17080 1
9 5 HIS . 17080 1
10 6 SER . 17080 1
11 7 SER . 17080 1
12 8 GLY . 17080 1
13 9 LEU . 17080 1
14 10 VAL . 17080 1
15 11 PRO . 17080 1
16 12 ARG . 17080 1
17 13 GLY . 17080 1
18 14 SER . 17080 1
19 15 HIS . 17080 1
20 16 MET . 17080 1
21 17 GLY . 17080 1
22 18 GLN . 17080 1
23 19 LEU . 17080 1
24 20 GLY . 17080 1
25 21 GLY . 17080 1
26 22 GLU . 17080 1
27 23 GLU . 17080 1
28 24 TRP . 17080 1
29 25 THR . 17080 1
30 26 ARG . 17080 1
31 27 HIS . 17080 1
32 28 GLY . 17080 1
33 29 SER . 17080 1
34 30 PHE . 17080 1
35 31 VAL . 17080 1
36 32 ASN . 17080 1
37 33 LYS . 17080 1
38 34 PRO . 17080 1
39 35 THR . 17080 1
40 36 ARG . 17080 1
41 37 GLY . 17080 1
42 38 TRP . 17080 1
43 39 LEU . 17080 1
44 40 HIS . 17080 1
45 41 PRO . 17080 1
46 42 ASN . 17080 1
47 43 ASP . 17080 1
48 44 LYS . 17080 1
49 45 VAL . 17080 1
50 46 MET . 17080 1
51 47 GLY . 17080 1
52 48 PRO . 17080 1
53 49 GLY . 17080 1
54 50 VAL . 17080 1
55 51 SER . 17080 1
56 52 TYR . 17080 1
57 53 LEU . 17080 1
58 54 VAL . 17080 1
59 55 ARG . 17080 1
60 56 TYR . 17080 1
61 57 MET . 17080 1
62 58 GLY . 17080 1
63 59 CYS . 17080 1
64 60 VAL . 17080 1
65 61 GLU . 17080 1
66 62 VAL . 17080 1
67 63 LEU . 17080 1
68 64 GLN . 17080 1
69 65 SER . 17080 1
70 66 MET . 17080 1
71 67 ARG . 17080 1
72 68 ALA . 17080 1
73 69 LEU . 17080 1
74 70 ASP . 17080 1
75 71 PHE . 17080 1
76 72 ASN . 17080 1
77 73 THR . 17080 1
78 74 ARG . 17080 1
79 75 THR . 17080 1
80 76 GLN . 17080 1
81 77 VAL . 17080 1
82 78 THR . 17080 1
83 79 ARG . 17080 1
84 80 GLU . 17080 1
85 81 ALA . 17080 1
86 82 ILE . 17080 1
87 83 SER . 17080 1
88 84 LEU . 17080 1
89 85 VAL . 17080 1
90 86 CYS . 17080 1
91 87 GLU . 17080 1
92 88 ALA . 17080 1
93 89 VAL . 17080 1
94 90 PRO . 17080 1
95 91 GLY . 17080 1
96 92 ALA . 17080 1
97 93 LYS . 17080 1
98 94 GLY . 17080 1
99 95 ALA . 17080 1
100 96 THR . 17080 1
101 97 ARG . 17080 1
102 98 ARG . 17080 1
103 99 ARG . 17080 1
104 100 LYS . 17080 1
105 101 PRO . 17080 1
106 102 CYS . 17080 1
107 103 SER . 17080 1
108 104 ARG . 17080 1
109 105 PRO . 17080 1
110 106 LEU . 17080 1
111 107 SER . 17080 1
112 108 SER . 17080 1
113 109 ILE . 17080 1
114 110 LEU . 17080 1
115 111 GLY . 17080 1
116 112 ARG . 17080 1
117 113 SER . 17080 1
118 114 ASN . 17080 1
119 115 LEU . 17080 1
120 116 LYS . 17080 1
121 117 PHE . 17080 1
122 118 ALA . 17080 1
123 119 GLY . 17080 1
124 120 MET . 17080 1
125 121 PRO . 17080 1
126 122 ILE . 17080 1
127 123 THR . 17080 1
128 124 LEU . 17080 1
129 125 THR . 17080 1
130 126 VAL . 17080 1
131 127 SER . 17080 1
132 128 THR . 17080 1
133 129 SER . 17080 1
134 130 SER . 17080 1
135 131 LEU . 17080 1
136 132 ASN . 17080 1
137 133 LEU . 17080 1
138 134 MET . 17080 1
139 135 ALA . 17080 1
140 136 ALA . 17080 1
141 137 ASP . 17080 1
142 138 CYS . 17080 1
143 139 LYS . 17080 1
144 140 GLN . 17080 1
145 141 ILE . 17080 1
146 142 ILE . 17080 1
147 143 ALA . 17080 1
148 144 ASN . 17080 1
149 145 HIS . 17080 1
150 146 HIS . 17080 1
151 147 MET . 17080 1
152 148 GLN . 17080 1
153 149 SER . 17080 1
154 150 ILE . 17080 1
155 151 SER . 17080 1
156 152 PHE . 17080 1
157 153 ALA . 17080 1
158 154 SER . 17080 1
159 155 GLY . 17080 1
160 156 GLY . 17080 1
161 157 ASP . 17080 1
162 158 PRO . 17080 1
163 159 ASP . 17080 1
164 160 THR . 17080 1
165 161 ALA . 17080 1
166 162 GLU . 17080 1
167 163 TYR . 17080 1
168 164 VAL . 17080 1
169 165 ALA . 17080 1
170 166 TYR . 17080 1
171 167 VAL . 17080 1
172 168 ALA . 17080 1
173 169 LYS . 17080 1
174 170 ASP . 17080 1
175 171 PRO . 17080 1
176 172 VAL . 17080 1
177 173 ASN . 17080 1
178 174 GLN . 17080 1
179 175 ARG . 17080 1
180 176 ALA . 17080 1
181 177 CYS . 17080 1
182 178 HIS . 17080 1
183 179 ILE . 17080 1
184 180 LEU . 17080 1
185 181 GLU . 17080 1
186 182 CYS . 17080 1
187 183 PRO . 17080 1
188 184 GLU . 17080 1
189 185 GLY . 17080 1
190 186 LEU . 17080 1
191 187 ALA . 17080 1
192 188 GLN . 17080 1
193 189 ASP . 17080 1
194 190 VAL . 17080 1
195 191 ILE . 17080 1
196 192 SER . 17080 1
197 193 THR . 17080 1
198 194 ILE . 17080 1
199 195 GLY . 17080 1
200 196 GLN . 17080 1
201 197 ALA . 17080 1
202 198 PHE . 17080 1
203 199 GLU . 17080 1
204 200 LEU . 17080 1
205 201 ARG . 17080 1
206 202 PHE . 17080 1
207 203 LYS . 17080 1
208 204 GLN . 17080 1
209 205 TYR . 17080 1
210 206 LEU . 17080 1
211 207 ARG . 17080 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 17080 1
. SER 2 2 17080 1
. SER 3 3 17080 1
. HIS 4 4 17080 1
. HIS 5 5 17080 1
. HIS 6 6 17080 1
. HIS 7 7 17080 1
. HIS 8 8 17080 1
. HIS 9 9 17080 1
. SER 10 10 17080 1
. SER 11 11 17080 1
. GLY 12 12 17080 1
. LEU 13 13 17080 1
. VAL 14 14 17080 1
. PRO 15 15 17080 1
. ARG 16 16 17080 1
. GLY 17 17 17080 1
. SER 18 18 17080 1
. HIS 19 19 17080 1
. MET 20 20 17080 1
. GLY 21 21 17080 1
. GLN 22 22 17080 1
. LEU 23 23 17080 1
. GLY 24 24 17080 1
. GLY 25 25 17080 1
. GLU 26 26 17080 1
. GLU 27 27 17080 1
. TRP 28 28 17080 1
. THR 29 29 17080 1
. ARG 30 30 17080 1
. HIS 31 31 17080 1
. GLY 32 32 17080 1
. SER 33 33 17080 1
. PHE 34 34 17080 1
. VAL 35 35 17080 1
. ASN 36 36 17080 1
. LYS 37 37 17080 1
. PRO 38 38 17080 1
. THR 39 39 17080 1
. ARG 40 40 17080 1
. GLY 41 41 17080 1
. TRP 42 42 17080 1
. LEU 43 43 17080 1
. HIS 44 44 17080 1
. PRO 45 45 17080 1
. ASN 46 46 17080 1
. ASP 47 47 17080 1
. LYS 48 48 17080 1
. VAL 49 49 17080 1
. MET 50 50 17080 1
. GLY 51 51 17080 1
. PRO 52 52 17080 1
. GLY 53 53 17080 1
. VAL 54 54 17080 1
. SER 55 55 17080 1
. TYR 56 56 17080 1
. LEU 57 57 17080 1
. VAL 58 58 17080 1
. ARG 59 59 17080 1
. TYR 60 60 17080 1
. MET 61 61 17080 1
. GLY 62 62 17080 1
. CYS 63 63 17080 1
. VAL 64 64 17080 1
. GLU 65 65 17080 1
. VAL 66 66 17080 1
. LEU 67 67 17080 1
. GLN 68 68 17080 1
. SER 69 69 17080 1
. MET 70 70 17080 1
. ARG 71 71 17080 1
. ALA 72 72 17080 1
. LEU 73 73 17080 1
. ASP 74 74 17080 1
. PHE 75 75 17080 1
. ASN 76 76 17080 1
. THR 77 77 17080 1
. ARG 78 78 17080 1
. THR 79 79 17080 1
. GLN 80 80 17080 1
. VAL 81 81 17080 1
. THR 82 82 17080 1
. ARG 83 83 17080 1
. GLU 84 84 17080 1
. ALA 85 85 17080 1
. ILE 86 86 17080 1
. SER 87 87 17080 1
. LEU 88 88 17080 1
. VAL 89 89 17080 1
. CYS 90 90 17080 1
. GLU 91 91 17080 1
. ALA 92 92 17080 1
. VAL 93 93 17080 1
. PRO 94 94 17080 1
. GLY 95 95 17080 1
. ALA 96 96 17080 1
. LYS 97 97 17080 1
. GLY 98 98 17080 1
. ALA 99 99 17080 1
. THR 100 100 17080 1
. ARG 101 101 17080 1
. ARG 102 102 17080 1
. ARG 103 103 17080 1
. LYS 104 104 17080 1
. PRO 105 105 17080 1
. CYS 106 106 17080 1
. SER 107 107 17080 1
. ARG 108 108 17080 1
. PRO 109 109 17080 1
. LEU 110 110 17080 1
. SER 111 111 17080 1
. SER 112 112 17080 1
. ILE 113 113 17080 1
. LEU 114 114 17080 1
. GLY 115 115 17080 1
. ARG 116 116 17080 1
. SER 117 117 17080 1
. ASN 118 118 17080 1
. LEU 119 119 17080 1
. LYS 120 120 17080 1
. PHE 121 121 17080 1
. ALA 122 122 17080 1
. GLY 123 123 17080 1
. MET 124 124 17080 1
. PRO 125 125 17080 1
. ILE 126 126 17080 1
. THR 127 127 17080 1
. LEU 128 128 17080 1
. THR 129 129 17080 1
. VAL 130 130 17080 1
. SER 131 131 17080 1
. THR 132 132 17080 1
. SER 133 133 17080 1
. SER 134 134 17080 1
. LEU 135 135 17080 1
. ASN 136 136 17080 1
. LEU 137 137 17080 1
. MET 138 138 17080 1
. ALA 139 139 17080 1
. ALA 140 140 17080 1
. ASP 141 141 17080 1
. CYS 142 142 17080 1
. LYS 143 143 17080 1
. GLN 144 144 17080 1
. ILE 145 145 17080 1
. ILE 146 146 17080 1
. ALA 147 147 17080 1
. ASN 148 148 17080 1
. HIS 149 149 17080 1
. HIS 150 150 17080 1
. MET 151 151 17080 1
. GLN 152 152 17080 1
. SER 153 153 17080 1
. ILE 154 154 17080 1
. SER 155 155 17080 1
. PHE 156 156 17080 1
. ALA 157 157 17080 1
. SER 158 158 17080 1
. GLY 159 159 17080 1
. GLY 160 160 17080 1
. ASP 161 161 17080 1
. PRO 162 162 17080 1
. ASP 163 163 17080 1
. THR 164 164 17080 1
. ALA 165 165 17080 1
. GLU 166 166 17080 1
. TYR 167 167 17080 1
. VAL 168 168 17080 1
. ALA 169 169 17080 1
. TYR 170 170 17080 1
. VAL 171 171 17080 1
. ALA 172 172 17080 1
. LYS 173 173 17080 1
. ASP 174 174 17080 1
. PRO 175 175 17080 1
. VAL 176 176 17080 1
. ASN 177 177 17080 1
. GLN 178 178 17080 1
. ARG 179 179 17080 1
. ALA 180 180 17080 1
. CYS 181 181 17080 1
. HIS 182 182 17080 1
. ILE 183 183 17080 1
. LEU 184 184 17080 1
. GLU 185 185 17080 1
. CYS 186 186 17080 1
. PRO 187 187 17080 1
. GLU 188 188 17080 1
. GLY 189 189 17080 1
. LEU 190 190 17080 1
. ALA 191 191 17080 1
. GLN 192 192 17080 1
. ASP 193 193 17080 1
. VAL 194 194 17080 1
. ILE 195 195 17080 1
. SER 196 196 17080 1
. THR 197 197 17080 1
. ILE 198 198 17080 1
. GLY 199 199 17080 1
. GLN 200 200 17080 1
. ALA 201 201 17080 1
. PHE 202 202 17080 1
. GLU 203 203 17080 1
. LEU 204 204 17080 1
. ARG 205 205 17080 1
. PHE 206 206 17080 1
. LYS 207 207 17080 1
. GLN 208 208 17080 1
. TYR 209 209 17080 1
. LEU 210 210 17080 1
. ARG 211 211 17080 1
stop_
save_
save_Integrin_beta3
_Entity.Sf_category entity
_Entity.Sf_framecode Integrin_beta3
_Entity.Entry_ID 17080
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name Integrin_beta3
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID B
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
RAKWDTANNPLXKEATSTFT
NITXRGT
;
_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 yes
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 27
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 3284.411
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2013-12-18
loop_
_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
no BMRB 17931 . biphosphorylated_beta3_integrin . . . . . 100.00 67 100.00 100.00 3.96e-08 . . . . 17080 2
no PDB 2L1C . "Shc-Ptb:biphosphorylated Integrin Beta3 Cytoplasmic Tail Complex (1:1)" . . . . . 100.00 27 100.00 100.00 1.63e-07 . . . . 17080 2
no PDB 2LJE . "Biphosphorylated (747py, 759py) Beta3 Integrin Cytoplasmic Tail Under Membrane Mimetic Conditions" . . . . . 100.00 67 100.00 100.00 3.96e-08 . . . . 17080 2
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 736 ARG . 17080 2
2 737 ALA . 17080 2
3 738 LYS . 17080 2
4 739 TRP . 17080 2
5 740 ASP . 17080 2
6 741 THR . 17080 2
7 742 ALA . 17080 2
8 743 ASN . 17080 2
9 744 ASN . 17080 2
10 745 PRO . 17080 2
11 746 LEU . 17080 2
12 747 PTR . 17080 2
13 748 LYS . 17080 2
14 749 GLU . 17080 2
15 750 ALA . 17080 2
16 751 THR . 17080 2
17 752 SER . 17080 2
18 753 THR . 17080 2
19 754 PHE . 17080 2
20 755 THR . 17080 2
21 756 ASN . 17080 2
22 757 ILE . 17080 2
23 758 THR . 17080 2
24 759 PTR . 17080 2
25 760 ARG . 17080 2
26 761 GLY . 17080 2
27 762 THR . 17080 2
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. ARG 1 1 17080 2
. ALA 2 2 17080 2
. LYS 3 3 17080 2
. TRP 4 4 17080 2
. ASP 5 5 17080 2
. THR 6 6 17080 2
. ALA 7 7 17080 2
. ASN 8 8 17080 2
. ASN 9 9 17080 2
. PRO 10 10 17080 2
. LEU 11 11 17080 2
. PTR 12 12 17080 2
. LYS 13 13 17080 2
. GLU 14 14 17080 2
. ALA 15 15 17080 2
. THR 16 16 17080 2
. SER 17 17 17080 2
. THR 18 18 17080 2
. PHE 19 19 17080 2
. THR 20 20 17080 2
. ASN 21 21 17080 2
. ILE 22 22 17080 2
. THR 23 23 17080 2
. PTR 24 24 17080 2
. ARG 25 25 17080 2
. GLY 26 26 17080 2
. THR 27 27 17080 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 17080
_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 $Shc_PTB . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17080 1
2 2 $Integrin_beta3 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17080 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 17080
_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 $Shc_PTB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . Pet15b . . . . . . 17080 1
2 2 $Integrin_beta3 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17080 1
stop_
save_
#################################
# Polymer residues and ligands #
#################################
save_chem_comp_PTR
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_PTR
_Chem_comp.Entry_ID 17080
_Chem_comp.ID PTR
_Chem_comp.Provenance PDB
_Chem_comp.Name O-PHOSPHOTYROSINE
_Chem_comp.Type 'L-PEPTIDE LINKING'
_Chem_comp.BMRB_code PTR
_Chem_comp.PDB_code PTR
_Chem_comp.Ambiguous_flag no
_Chem_comp.Initial_date 2012-11-20
_Chem_comp.Modified_date 2012-11-20
_Chem_comp.Release_status REL
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code Y
_Chem_comp.Three_letter_code PTR
_Chem_comp.Number_atoms_all 29
_Chem_comp.Number_atoms_nh 17
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
_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 TYR
_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 PHOSPHONOTYROSINE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic .
_Chem_comp.Aromatic yes
_Chem_comp.Formula 'C9 H12 N O6 P'
_Chem_comp.Formula_weight 261.168
_Chem_comp.Formula_mono_iso_wt_nat .
_Chem_comp.Formula_mono_iso_wt_13C .
_Chem_comp.Formula_mono_iso_wt_15N .
_Chem_comp.Formula_mono_iso_wt_13C_15N .
_Chem_comp.Image_file_name .
_Chem_comp.Image_file_format .
_Chem_comp.Topo_file_name .
_Chem_comp.Topo_file_format .
_Chem_comp.Struct_file_name .
_Chem_comp.Struct_file_format .
_Chem_comp.Stereochem_param_file_name .
_Chem_comp.Stereochem_param_file_format .
_Chem_comp.Model_details .
_Chem_comp.Model_erf .
_Chem_comp.Model_source .
_Chem_comp.Model_coordinates_details .
_Chem_comp.Model_coordinates_missing_flag no
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag no
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site RCSB
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details .
_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
c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 17080 PTR
c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17080 PTR
DCWXELXMIBXGTH-QMMMGPOBSA-N InChIKey InChI 1.03 17080 PTR
InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 InChI InChI 1.03 17080 PTR
N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 17080 PTR
N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES CACTVS 3.341 17080 PTR
O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O SMILES ACDLabs 10.04 17080 PTR
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
'(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17080 PTR
O-phosphono-L-tyrosine 'SYSTEMATIC NAME' ACDLabs 10.04 17080 PTR
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
N N N N . N . . N 0 . . . 1 no no . . . . 46.366 . 11.139 . -0.665 . 1.298 0.975 3.302 1 . 17080 PTR
CA CA CA CA . C . . S 0 . . . 1 no no . . . . 44.969 . 11.616 . -0.749 . -0.036 0.399 3.512 2 . 17080 PTR
C C C C . C . . N 0 . . . 1 no no . . . . 44.978 . 13.010 . -1.358 . -0.148 -0.106 4.928 3 . 17080 PTR
O O O O . O . . N 0 . . . 1 no no . . . . 43.891 . 13.514 . -1.708 . 0.833 -0.507 5.505 4 . 17080 PTR
OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 46.088 . 13.575 . -1.497 . -1.339 -0.110 5.546 5 . 17080 PTR
CB CB CB CB . C . . N 0 . . . 1 no no . . . . 44.332 . 11.618 . 0.644 . -0.250 -0.760 2.538 6 . 17080 PTR
CG CG CG CG . C . . N 0 . . . 1 yes no . . . . 44.885 . 12.640 . 1.620 . -0.138 -0.254 1.123 7 . 17080 PTR
CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 yes no . . . . 45.913 . 12.302 . 2.506 . 1.089 -0.250 0.487 8 . 17080 PTR
CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 yes no . . . . 44.319 . 13.921 . 1.716 . -1.264 0.198 0.461 9 . 17080 PTR
CE1 CE1 CE1 CE1 . C . . N 0 . . . 1 yes no . . . . 46.364 . 13.214 . 3.480 . 1.194 0.212 -0.810 10 . 17080 PTR
CE2 CE2 CE2 CE2 . C . . N 0 . . . 1 yes no . . . . 44.753 . 14.849 . 2.683 . -1.163 0.668 -0.834 11 . 17080 PTR
CZ CZ CZ CZ . C . . N 0 . . . 1 yes no . . . . 45.772 . 14.487 . 3.562 . 0.067 0.673 -1.474 12 . 17080 PTR
OH OH OH OH . O . . N 0 . . . 1 no no . . . . 46.216 . 15.385 . 4.594 . 0.168 1.129 -2.750 13 . 17080 PTR
P P P P . P . . N 0 . . . 1 no no . . . . 45.382 . 15.884 . 5.757 . -0.065 -0.136 -3.717 14 . 17080 PTR
O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 44.096 . 16.422 . 5.355 . -1.409 -0.705 -3.467 15 . 17080 PTR
O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 46.274 . 16.938 . 6.218 . 0.040 0.334 -5.253 16 . 17080 PTR
O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 45.279 . 14.830 . 6.778 . 1.053 -1.253 -3.419 17 . 17080 PTR
H H H 1HN . H . . N 0 . . . 1 no no . . . . 46.360 . 10.204 . -0.256 . 1.963 0.235 3.473 18 . 17080 PTR
HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no yes . . . . 46.972 . 11.785 . -0.159 . 1.365 1.204 2.322 19 . 17080 PTR
HA HA HA HA . H . . N 0 . . . 1 no no . . . . 44.360 . 10.939 . -1.392 . -0.793 1.164 3.339 20 . 17080 PTR
HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 46.093 . 14.445 . -1.877 . -1.411 -0.435 6.454 21 . 17080 PTR
HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 43.226 . 11.735 . 0.556 . 0.506 -1.525 2.711 22 . 17080 PTR
HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 44.388 . 10.597 . 1.089 . -1.241 -1.187 2.694 23 . 17080 PTR
HD1 HD1 HD1 HD1 . H . . N 0 . . . 1 no no . . . . 46.374 . 11.302 . 2.435 . 1.966 -0.609 1.004 24 . 17080 PTR
HD2 HD2 HD2 HD2 . H . . N 0 . . . 1 no no . . . . 43.515 . 14.204 . 1.015 . -2.222 0.194 0.959 25 . 17080 PTR
HE1 HE1 HE1 HE1 . H . . N 0 . . . 1 no no . . . . 47.174 . 12.933 . 4.173 . 2.154 0.216 -1.306 26 . 17080 PTR
HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 no no . . . . 44.298 . 15.851 . 2.751 . -2.041 1.026 -1.349 27 . 17080 PTR
HO2P HO2P HO2P PHO2 . H . . N 0 . . . 0 no no . . . . 45.751 . 17.250 . 6.947 . -0.105 -0.451 -5.797 28 . 17080 PTR
HO3P HO3P HO3P PHO3 . H . . N 0 . . . 0 no no . . . . 44.756 . 15.142 . 7.507 . 1.911 -0.843 -3.593 29 . 17080 PTR
stop_
loop_
_Chem_comp_bond.ID
_Chem_comp_bond.Type
_Chem_comp_bond.Value_order
_Chem_comp_bond.Atom_ID_1
_Chem_comp_bond.Atom_ID_2
_Chem_comp_bond.Aromatic_flag
_Chem_comp_bond.Stereo_config
_Chem_comp_bond.Ordinal
_Chem_comp_bond.Details
_Chem_comp_bond.Entry_ID
_Chem_comp_bond.Comp_ID
1 . SING N CA no N 1 . 17080 PTR
2 . SING N H no N 2 . 17080 PTR
3 . SING N HN2 no N 3 . 17080 PTR
4 . SING CA C no N 4 . 17080 PTR
5 . SING CA CB no N 5 . 17080 PTR
6 . SING CA HA no N 6 . 17080 PTR
7 . DOUB C O no N 7 . 17080 PTR
8 . SING C OXT no N 8 . 17080 PTR
9 . SING OXT HXT no N 9 . 17080 PTR
10 . SING CB CG no N 10 . 17080 PTR
11 . SING CB HB2 no N 11 . 17080 PTR
12 . SING CB HB3 no N 12 . 17080 PTR
13 . DOUB CG CD1 yes N 13 . 17080 PTR
14 . SING CG CD2 yes N 14 . 17080 PTR
15 . SING CD1 CE1 yes N 15 . 17080 PTR
16 . SING CD1 HD1 no N 16 . 17080 PTR
17 . DOUB CD2 CE2 yes N 17 . 17080 PTR
18 . SING CD2 HD2 no N 18 . 17080 PTR
19 . DOUB CE1 CZ yes N 19 . 17080 PTR
20 . SING CE1 HE1 no N 20 . 17080 PTR
21 . SING CE2 CZ yes N 21 . 17080 PTR
22 . SING CE2 HE2 no N 22 . 17080 PTR
23 . SING CZ OH no N 23 . 17080 PTR
24 . SING OH P no N 24 . 17080 PTR
25 . DOUB P O1P no N 25 . 17080 PTR
26 . SING P O2P no N 26 . 17080 PTR
27 . SING P O3P no N 27 . 17080 PTR
28 . SING O2P HO2P no N 28 . 17080 PTR
29 . SING O3P HO3P no N 29 . 17080 PTR
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 17080
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '93% H2O/7% 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 Shc-PTB '[U-99% 13C; U-99% 15N]' . . 1 $Shc_PTB . . 0.4 . . mM . . . . 17080 1
2 Integrin_beta3 'natural abundance' . . 2 $Integrin_beta3 . . 0.8 . . mM . . . . 17080 1
3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17080 1
4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17080 1
5 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17080 1
6 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 17080 1
7 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17080 1
8 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17080 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 17080
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 6.5 . pH 17080 1
pressure 1 . atm 17080 1
temperature 273 . K 17080 1
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 17080
_Software.ID 1
_Software.Name CYANA
_Software.Version 2.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 17080 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 17080 1
stop_
save_
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 17080
_Software.ID 2
_Software.Name CNS
_Software.Version 1.21
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17080 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 17080 2
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 17080
_Software.ID 3
_Software.Name NMRPipe
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17080 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 17080 3
stop_
save_
save_VNMRJ
_Software.Sf_category software
_Software.Sf_framecode VNMRJ
_Software.Entry_ID 17080
_Software.ID 4
_Software.Name VNMRJ
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Varian . . 17080 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 17080 4
stop_
save_
save_CCPN-Analysis
_Software.Sf_category software
_Software.Sf_framecode CCPN-Analysis
_Software.Entry_ID 17080
_Software.ID 5
_Software.Name CCPN-Analysis
_Software.Version 2.1.3
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'(CCPN-Analysis)-Vranken,Boucher, Stevens, Fogh, Pajon,Llinas,Ulrich,Markley,Ionides,Laue' . . 17080 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 17080 5
'peak picking' 17080 5
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 17080
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details 'equiped with inverse triple resonance cold-probe'
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 17080
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Varian INOVA . 600 'equiped with inverse triple resonance cold-probe' . . 17080 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 17080
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17080 1
2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17080 1
3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17080 1
4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17080 1
5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17080 1
6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17080 1
7 '3D 1H-15N edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17080 1
8 '3D 1H-13C edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17080 1
9 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17080 1
10 '3D 1H-13C aromatic NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17080 1
11 '2D 13C,15N FilteredTOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17080 1
12 '2D 13C,15N Filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17080 1
13 '3D F1 13C,15N Filtered, F2 13C edited NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17080 1
14 '2D 1H-15N Het NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17080 1
15 '2D 1H-15N T1-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17080 1
16 '2D 1H-15N T2-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17080 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 17080
_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 . . . . . . . . . 17080 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17080 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17080 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 17080
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 17080 1
2 '2D 1H-13C HSQC' . . . 17080 1
3 '3D HNCO' . . . 17080 1
4 '3D HNCA' . . . 17080 1
5 '3D HNCACB' . . . 17080 1
6 '3D HBHA(CO)NH' . . . 17080 1
7 '3D 1H-15N edited NOESY' . . . 17080 1
8 '3D 1H-13C edited NOESY' . . . 17080 1
9 '3D HNCACO' . . . 17080 1
10 '3D 1H-13C aromatic NOESY' . . . 17080 1
11 '2D 13C,15N FilteredTOCSY' . . . 17080 1
12 '2D 13C,15N Filtered NOESY' . . . 17080 1
13 '3D F1 13C,15N Filtered, F2 13C edited NOESY-HSQC' . . . 17080 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
5 $CCPN-Analysis . . 17080 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 21 21 GLY HA2 H 1 3.954 0.02 . 2 . . 1 . 17 G HA2 . 17080 1
2 . 1 1 21 21 GLY HA3 H 1 3.954 0.02 . 2 . . 1 . 17 G HA3 . 17080 1
3 . 1 1 21 21 GLY C C 13 171.519 0.02 . 1 . . 1 . 17 G C . 17080 1
4 . 1 1 21 21 GLY CA C 13 45.319 0.02 . 1 . . 1 . 17 G CA . 17080 1
5 . 1 1 21 21 GLY N N 15 109.762 0.02 . 1 . . 1 . 17 G N . 17080 1
6 . 1 1 22 22 GLN H H 1 8.192 0.02 . 1 . . 1 . 18 Q H . 17080 1
7 . 1 1 22 22 GLN HA H 1 4.375 0.02 . 1 . . 1 . 18 Q HA . 17080 1
8 . 1 1 22 22 GLN HB2 H 1 1.980 0.02 . 2 . . 1 . 18 Q HB2 . 17080 1
9 . 1 1 22 22 GLN HB3 H 1 2.110 0.02 . 2 . . 1 . 18 Q HB3 . 17080 1
10 . 1 1 22 22 GLN HE21 H 1 7.480 0.02 . 2 . . 1 . 18 Q HE21 . 17080 1
11 . 1 1 22 22 GLN HE22 H 1 6.748 0.02 . 2 . . 1 . 18 Q HE22 . 17080 1
12 . 1 1 22 22 GLN HG2 H 1 2.290 0.02 . 2 . . 1 . 18 Q HG2 . 17080 1
13 . 1 1 22 22 GLN HG3 H 1 2.290 0.02 . 2 . . 1 . 18 Q HG3 . 17080 1
14 . 1 1 22 22 GLN C C 13 173.638 0.02 . 1 . . 1 . 18 Q C . 17080 1
15 . 1 1 22 22 GLN CA C 13 55.760 0.02 . 1 . . 1 . 18 Q CA . 17080 1
16 . 1 1 22 22 GLN CB C 13 29.580 0.02 . 1 . . 1 . 18 Q CB . 17080 1
17 . 1 1 22 22 GLN CG C 13 33.594 0.02 . 1 . . 1 . 18 Q CG . 17080 1
18 . 1 1 22 22 GLN N N 15 119.924 0.02 . 1 . . 1 . 18 Q N . 17080 1
19 . 1 1 22 22 GLN NE2 N 15 111.615 0.02 . 1 . . 1 . 18 Q NE2 . 17080 1
20 . 1 1 23 23 LEU H H 1 8.311 0.02 . 1 . . 1 . 19 L H . 17080 1
21 . 1 1 23 23 LEU HA H 1 4.358 0.02 . 1 . . 1 . 19 L HA . 17080 1
22 . 1 1 23 23 LEU HB2 H 1 1.630 0.02 . 2 . . 1 . 19 L HB2 . 17080 1
23 . 1 1 23 23 LEU HB3 H 1 1.630 0.02 . 2 . . 1 . 19 L HB3 . 17080 1
24 . 1 1 23 23 LEU HD11 H 1 0.746 0.02 . 1 . . 1 . 19 L QD1 . 17080 1
25 . 1 1 23 23 LEU HD12 H 1 0.746 0.02 . 1 . . 1 . 19 L QD1 . 17080 1
26 . 1 1 23 23 LEU HD13 H 1 0.746 0.02 . 1 . . 1 . 19 L QD1 . 17080 1
27 . 1 1 23 23 LEU HD21 H 1 0.832 0.02 . 1 . . 1 . 19 L QD2 . 17080 1
28 . 1 1 23 23 LEU HD22 H 1 0.832 0.02 . 1 . . 1 . 19 L QD2 . 17080 1
29 . 1 1 23 23 LEU HD23 H 1 0.832 0.02 . 1 . . 1 . 19 L QD2 . 17080 1
30 . 1 1 23 23 LEU HG H 1 1.452 0.02 . 1 . . 1 . 19 L HG . 17080 1
31 . 1 1 23 23 LEU C C 13 175.274 0.02 . 1 . . 1 . 19 L C . 17080 1
32 . 1 1 23 23 LEU CA C 13 55.026 0.02 . 1 . . 1 . 19 L CA . 17080 1
33 . 1 1 23 23 LEU CB C 13 41.878 0.02 . 1 . . 1 . 19 L CB . 17080 1
34 . 1 1 23 23 LEU CD1 C 13 20.498 0.02 . 2 . . 1 . 19 L CD1 . 17080 1
35 . 1 1 23 23 LEU CD2 C 13 23.144 0.02 . 2 . . 1 . 19 L CD2 . 17080 1
36 . 1 1 23 23 LEU CG C 13 23.350 0.02 . 1 . . 1 . 19 L CG . 17080 1
37 . 1 1 23 23 LEU N N 15 123.385 0.02 . 1 . . 1 . 19 L N . 17080 1
38 . 1 1 24 24 GLY H H 1 8.358 0.02 . 1 . . 1 . 20 G H . 17080 1
39 . 1 1 24 24 GLY HA2 H 1 3.954 0.02 . 2 . . 1 . 20 G HA2 . 17080 1
40 . 1 1 24 24 GLY HA3 H 1 3.954 0.02 . 2 . . 1 . 20 G HA3 . 17080 1
41 . 1 1 24 24 GLY C C 13 172.124 0.02 . 1 . . 1 . 20 G C . 17080 1
42 . 1 1 24 24 GLY CA C 13 44.844 0.02 . 1 . . 1 . 20 G CA . 17080 1
43 . 1 1 24 24 GLY N N 15 109.759 0.02 . 1 . . 1 . 20 G N . 17080 1
44 . 1 1 25 25 GLY H H 1 8.222 0.02 . 1 . . 1 . 21 G H . 17080 1
45 . 1 1 25 25 GLY HA2 H 1 3.954 0.02 . 2 . . 1 . 21 G HA2 . 17080 1
46 . 1 1 25 25 GLY HA3 H 1 3.954 0.02 . 2 . . 1 . 21 G HA3 . 17080 1
47 . 1 1 25 25 GLY C C 13 172.033 0.02 . 1 . . 1 . 21 G C . 17080 1
48 . 1 1 25 25 GLY CA C 13 44.844 0.02 . 1 . . 1 . 21 G CA . 17080 1
49 . 1 1 25 25 GLY N N 15 108.822 0.02 . 1 . . 1 . 21 G N . 17080 1
50 . 1 1 26 26 GLU H H 1 8.439 0.02 . 1 . . 1 . 22 E H . 17080 1
51 . 1 1 26 26 GLU HA H 1 4.290 0.02 . 1 . . 1 . 22 E HA . 17080 1
52 . 1 1 26 26 GLU HB2 H 1 1.860 0.02 . 2 . . 1 . 22 E HB2 . 17080 1
53 . 1 1 26 26 GLU HB3 H 1 1.922 0.02 . 2 . . 1 . 22 E HB3 . 17080 1
54 . 1 1 26 26 GLU HG2 H 1 2.256 0.02 . 2 . . 1 . 22 E HG2 . 17080 1
55 . 1 1 26 26 GLU HG3 H 1 2.256 0.02 . 2 . . 1 . 22 E HG3 . 17080 1
56 . 1 1 26 26 GLU C C 13 174.607 0.02 . 1 . . 1 . 22 E C . 17080 1
57 . 1 1 26 26 GLU CA C 13 56.595 0.02 . 1 . . 1 . 22 E CA . 17080 1
58 . 1 1 26 26 GLU CB C 13 30.076 0.02 . 1 . . 1 . 22 E CB . 17080 1
59 . 1 1 26 26 GLU CG C 13 35.877 0.02 . 1 . . 1 . 22 E CG . 17080 1
60 . 1 1 26 26 GLU N N 15 120.621 0.02 . 1 . . 1 . 22 E N . 17080 1
61 . 1 1 27 27 GLU H H 1 8.629 0.02 . 1 . . 1 . 23 E H . 17080 1
62 . 1 1 27 27 GLU HA H 1 4.173 0.02 . 1 . . 1 . 23 E HA . 17080 1
63 . 1 1 27 27 GLU HB2 H 1 1.949 0.02 . 2 . . 1 . 23 E HB2 . 17080 1
64 . 1 1 27 27 GLU HB3 H 1 1.949 0.02 . 2 . . 1 . 23 E HB3 . 17080 1
65 . 1 1 27 27 GLU HG2 H 1 2.248 0.02 . 2 . . 1 . 23 E HG2 . 17080 1
66 . 1 1 27 27 GLU HG3 H 1 2.248 0.02 . 2 . . 1 . 23 E HG3 . 17080 1
67 . 1 1 27 27 GLU C C 13 174.456 0.02 . 1 . . 1 . 23 E C . 17080 1
68 . 1 1 27 27 GLU CA C 13 57.600 0.02 . 1 . . 1 . 23 E CA . 17080 1
69 . 1 1 27 27 GLU CB C 13 29.620 0.02 . 1 . . 1 . 23 E CB . 17080 1
70 . 1 1 27 27 GLU CG C 13 35.868 0.02 . 1 . . 1 . 23 E CG . 17080 1
71 . 1 1 27 27 GLU N N 15 121.361 0.02 . 1 . . 1 . 23 E N . 17080 1
72 . 1 1 28 28 TRP H H 1 8.015 0.02 . 1 . . 1 . 24 W H . 17080 1
73 . 1 1 28 28 TRP HA H 1 4.609 0.02 . 1 . . 1 . 24 W HA . 17080 1
74 . 1 1 28 28 TRP HB2 H 1 3.292 0.02 . 2 . . 1 . 24 W HB2 . 17080 1
75 . 1 1 28 28 TRP HB3 H 1 3.355 0.02 . 2 . . 1 . 24 W HB3 . 17080 1
76 . 1 1 28 28 TRP HD1 H 1 7.245 0.02 . 1 . . 1 . 24 W HD1 . 17080 1
77 . 1 1 28 28 TRP HE1 H 1 10.090 0.02 . 1 . . 1 . 24 W HE1 . 17080 1
78 . 1 1 28 28 TRP HE3 H 1 7.558 0.02 . 1 . . 1 . 24 W HE3 . 17080 1
79 . 1 1 28 28 TRP HZ2 H 1 7.418 0.02 . 1 . . 1 . 24 W HZ2 . 17080 1
80 . 1 1 28 28 TRP C C 13 174.349 0.02 . 1 . . 1 . 24 W C . 17080 1
81 . 1 1 28 28 TRP CA C 13 57.948 0.02 . 1 . . 1 . 24 W CA . 17080 1
82 . 1 1 28 28 TRP CB C 13 28.855 0.02 . 1 . . 1 . 24 W CB . 17080 1
83 . 1 1 28 28 TRP CD1 C 13 127.278 0.02 . 1 . . 1 . 24 W CD1 . 17080 1
84 . 1 1 28 28 TRP CE3 C 13 120.853 0.02 . 1 . . 1 . 24 W CE3 . 17080 1
85 . 1 1 28 28 TRP CZ2 C 13 114.017 0.02 . 1 . . 1 . 24 W CZ2 . 17080 1
86 . 1 1 28 28 TRP N N 15 120.415 0.02 . 1 . . 1 . 24 W N . 17080 1
87 . 1 1 28 28 TRP NE1 N 15 129.585 0.02 . 1 . . 1 . 24 W NE1 . 17080 1
88 . 1 1 29 29 THR H H 1 7.757 0.02 . 1 . . 1 . 25 T H . 17080 1
89 . 1 1 29 29 THR HA H 1 4.592 0.02 . 1 . . 1 . 25 T HA . 17080 1
90 . 1 1 29 29 THR HB H 1 4.121 0.02 . 1 . . 1 . 25 T HB . 17080 1
91 . 1 1 29 29 THR HG21 H 1 1.168 0.02 . 1 . . 1 . 25 T QG2 . 17080 1
92 . 1 1 29 29 THR HG22 H 1 1.168 0.02 . 1 . . 1 . 25 T QG2 . 17080 1
93 . 1 1 29 29 THR HG23 H 1 1.168 0.02 . 1 . . 1 . 25 T QG2 . 17080 1
94 . 1 1 29 29 THR C C 13 172.289 0.02 . 1 . . 1 . 25 T C . 17080 1
95 . 1 1 29 29 THR CA C 13 61.813 0.02 . 1 . . 1 . 25 T CA . 17080 1
96 . 1 1 29 29 THR CB C 13 68.724 0.02 . 1 . . 1 . 25 T CB . 17080 1
97 . 1 1 29 29 THR CG2 C 13 21.235 0.02 . 1 . . 1 . 25 T CG2 . 17080 1
98 . 1 1 29 29 THR N N 15 112.986 0.02 . 1 . . 1 . 25 T N . 17080 1
99 . 1 1 31 31 HIS HA H 1 3.954 0.02 . 1 . . 1 . 27 H HA . 17080 1
100 . 1 1 31 31 HIS CA C 13 54.515 0.02 . 1 . . 1 . 27 H CA . 17080 1
101 . 1 1 32 32 GLY H H 1 8.435 0.02 . 1 . . 1 . 28 G H . 17080 1
102 . 1 1 32 32 GLY HA2 H 1 3.954 0.02 . 2 . . 1 . 28 G HA2 . 17080 1
103 . 1 1 32 32 GLY HA3 H 1 3.954 0.02 . 2 . . 1 . 28 G HA3 . 17080 1
104 . 1 1 32 32 GLY C C 13 177.151 0.02 . 1 . . 1 . 28 G C . 17080 1
105 . 1 1 32 32 GLY CA C 13 44.844 0.02 . 1 . . 1 . 28 G CA . 17080 1
106 . 1 1 32 32 GLY N N 15 109.012 0.02 . 1 . . 1 . 28 G N . 17080 1
107 . 1 1 33 33 SER H H 1 8.156 0.02 . 1 . . 1 . 29 S H . 17080 1
108 . 1 1 33 33 SER HA H 1 4.061 0.02 . 1 . . 1 . 29 S HA . 17080 1
109 . 1 1 33 33 SER C C 13 174.789 0.02 . 1 . . 1 . 29 S C . 17080 1
110 . 1 1 33 33 SER CA C 13 57.899 0.02 . 1 . . 1 . 29 S CA . 17080 1
111 . 1 1 33 33 SER N N 15 115.810 0.02 . 1 . . 1 . 29 S N . 17080 1
112 . 1 1 34 34 PHE H H 1 9.795 0.02 . 1 . . 1 . 30 F H . 17080 1
113 . 1 1 34 34 PHE HA H 1 4.165 0.02 . 1 . . 1 . 30 F HA . 17080 1
114 . 1 1 34 34 PHE HB2 H 1 3.122 0.02 . 2 . . 1 . 30 F HB2 . 17080 1
115 . 1 1 34 34 PHE HB3 H 1 3.122 0.02 . 2 . . 1 . 30 F HB3 . 17080 1
116 . 1 1 34 34 PHE CA C 13 57.288 0.02 . 1 . . 1 . 30 F CA . 17080 1
117 . 1 1 34 34 PHE N N 15 127.384 0.02 . 1 . . 1 . 30 F N . 17080 1
118 . 1 1 39 39 THR HA H 1 4.146 0.02 . 1 . . 1 . 35 T HA . 17080 1
119 . 1 1 39 39 THR HG21 H 1 1.164 0.02 . 1 . . 1 . 35 T QG2 . 17080 1
120 . 1 1 39 39 THR HG22 H 1 1.164 0.02 . 1 . . 1 . 35 T QG2 . 17080 1
121 . 1 1 39 39 THR HG23 H 1 1.164 0.02 . 1 . . 1 . 35 T QG2 . 17080 1
122 . 1 1 39 39 THR C C 13 172.942 0.02 . 1 . . 1 . 35 T C . 17080 1
123 . 1 1 39 39 THR CA C 13 62.689 0.02 . 1 . . 1 . 35 T CA . 17080 1
124 . 1 1 39 39 THR CG2 C 13 20.600 0.02 . 1 . . 1 . 35 T CG2 . 17080 1
125 . 1 1 40 40 ARG H H 1 8.380 0.02 . 1 . . 1 . 36 R H . 17080 1
126 . 1 1 40 40 ARG HA H 1 4.320 0.02 . 1 . . 1 . 36 R HA . 17080 1
127 . 1 1 40 40 ARG HB2 H 1 1.650 0.02 . 2 . . 1 . 36 R HB2 . 17080 1
128 . 1 1 40 40 ARG HB3 H 1 1.650 0.02 . 2 . . 1 . 36 R HB3 . 17080 1
129 . 1 1 40 40 ARG C C 13 173.669 0.02 . 1 . . 1 . 36 R C . 17080 1
130 . 1 1 40 40 ARG CA C 13 56.011 0.02 . 1 . . 1 . 36 R CA . 17080 1
131 . 1 1 40 40 ARG CB C 13 26.572 0.02 . 1 . . 1 . 36 R CB . 17080 1
132 . 1 1 40 40 ARG N N 15 121.511 0.02 . 1 . . 1 . 36 R N . 17080 1
133 . 1 1 41 41 GLY H H 1 7.960 0.02 . 1 . . 1 . 37 G H . 17080 1
134 . 1 1 41 41 GLY HA2 H 1 3.900 0.02 . 2 . . 1 . 37 G HA2 . 17080 1
135 . 1 1 41 41 GLY HA3 H 1 3.900 0.02 . 2 . . 1 . 37 G HA3 . 17080 1
136 . 1 1 41 41 GLY C C 13 170.822 0.02 . 1 . . 1 . 37 G C . 17080 1
137 . 1 1 41 41 GLY CA C 13 43.910 0.02 . 1 . . 1 . 37 G CA . 17080 1
138 . 1 1 41 41 GLY N N 15 109.003 0.02 . 1 . . 1 . 37 G N . 17080 1
139 . 1 1 42 42 TRP H H 1 7.960 0.02 . 1 . . 1 . 38 W H . 17080 1
140 . 1 1 42 42 TRP HA H 1 4.900 0.02 . 1 . . 1 . 38 W HA . 17080 1
141 . 1 1 42 42 TRP HB2 H 1 3.190 0.02 . 2 . . 1 . 38 W HB2 . 17080 1
142 . 1 1 42 42 TRP HB3 H 1 3.190 0.02 . 2 . . 1 . 38 W HB3 . 17080 1
143 . 1 1 42 42 TRP HD1 H 1 7.282 0.02 . 1 . . 1 . 38 W HD1 . 17080 1
144 . 1 1 42 42 TRP HE1 H 1 10.326 0.02 . 1 . . 1 . 38 W HE1 . 17080 1
145 . 1 1 42 42 TRP HE3 H 1 7.740 0.02 . 1 . . 1 . 38 W HE3 . 17080 1
146 . 1 1 42 42 TRP HZ2 H 1 7.415 0.02 . 1 . . 1 . 38 W HZ2 . 17080 1
147 . 1 1 42 42 TRP C C 13 175.031 0.02 . 1 . . 1 . 38 W C . 17080 1
148 . 1 1 42 42 TRP CA C 13 55.026 0.02 . 1 . . 1 . 38 W CA . 17080 1
149 . 1 1 42 42 TRP CB C 13 30.204 0.02 . 1 . . 1 . 38 W CB . 17080 1
150 . 1 1 42 42 TRP CD1 C 13 127.419 0.02 . 1 . . 1 . 38 W CD1 . 17080 1
151 . 1 1 42 42 TRP CE3 C 13 121.802 0.02 . 1 . . 1 . 38 W CE3 . 17080 1
152 . 1 1 42 42 TRP CZ2 C 13 113.438 0.02 . 1 . . 1 . 38 W CZ2 . 17080 1
153 . 1 1 42 42 TRP N N 15 119.683 0.02 . 1 . . 1 . 38 W N . 17080 1
154 . 1 1 42 42 TRP NE1 N 15 129.363 0.02 . 1 . . 1 . 38 W NE1 . 17080 1
155 . 1 1 43 43 LEU H H 1 8.993 0.02 . 1 . . 1 . 39 L H . 17080 1
156 . 1 1 43 43 LEU HA H 1 4.106 0.02 . 1 . . 1 . 39 L HA . 17080 1
157 . 1 1 43 43 LEU HB2 H 1 1.280 0.02 . 2 . . 1 . 39 L HB2 . 17080 1
158 . 1 1 43 43 LEU HB3 H 1 1.094 0.02 . 2 . . 1 . 39 L HB3 . 17080 1
159 . 1 1 43 43 LEU HD11 H 1 0.785 0.02 . 1 . . 1 . 39 L QD1 . 17080 1
160 . 1 1 43 43 LEU HD12 H 1 0.785 0.02 . 1 . . 1 . 39 L QD1 . 17080 1
161 . 1 1 43 43 LEU HD13 H 1 0.785 0.02 . 1 . . 1 . 39 L QD1 . 17080 1
162 . 1 1 43 43 LEU HD21 H 1 0.947 0.02 . 1 . . 1 . 39 L QD2 . 17080 1
163 . 1 1 43 43 LEU HD22 H 1 0.947 0.02 . 1 . . 1 . 39 L QD2 . 17080 1
164 . 1 1 43 43 LEU HD23 H 1 0.947 0.02 . 1 . . 1 . 39 L QD2 . 17080 1
165 . 1 1 43 43 LEU HG H 1 1.596 0.02 . 1 . . 1 . 39 L HG . 17080 1
166 . 1 1 43 43 LEU C C 13 174.577 0.02 . 1 . . 1 . 39 L C . 17080 1
167 . 1 1 43 43 LEU CA C 13 55.823 0.02 . 1 . . 1 . 39 L CA . 17080 1
168 . 1 1 43 43 LEU CB C 13 42.760 0.02 . 1 . . 1 . 39 L CB . 17080 1
169 . 1 1 43 43 LEU CD1 C 13 22.800 0.02 . 2 . . 1 . 39 L CD1 . 17080 1
170 . 1 1 43 43 LEU CD2 C 13 25.088 0.02 . 2 . . 1 . 39 L CD2 . 17080 1
171 . 1 1 43 43 LEU CG C 13 26.783 0.02 . 1 . . 1 . 39 L CG . 17080 1
172 . 1 1 43 43 LEU N N 15 119.972 0.02 . 1 . . 1 . 39 L N . 17080 1
173 . 1 1 44 44 HIS H H 1 7.113 0.02 . 1 . . 1 . 40 H H . 17080 1
174 . 1 1 44 44 HIS HA H 1 5.127 0.02 . 1 . . 1 . 40 H HA . 17080 1
175 . 1 1 44 44 HIS HB2 H 1 2.673 0.02 . 2 . . 1 . 40 H HB2 . 17080 1
176 . 1 1 44 44 HIS HB3 H 1 2.673 0.02 . 2 . . 1 . 40 H HB3 . 17080 1
177 . 1 1 44 44 HIS HD2 H 1 6.821 0.02 . 1 . . 1 . 40 H HD2 . 17080 1
178 . 1 1 44 44 HIS HE1 H 1 7.822 0.02 . 1 . . 1 . 40 H HE1 . 17080 1
179 . 1 1 44 44 HIS CA C 13 52.782 0.02 . 1 . . 1 . 40 H CA . 17080 1
180 . 1 1 44 44 HIS CB C 13 31.708 0.02 . 1 . . 1 . 40 H CB . 17080 1
181 . 1 1 44 44 HIS CD2 C 13 119.514 0.02 . 1 . . 1 . 40 H CD2 . 17080 1
182 . 1 1 44 44 HIS CE1 C 13 138.154 0.02 . 1 . . 1 . 40 H CE1 . 17080 1
183 . 1 1 44 44 HIS N N 15 115.086 0.02 . 1 . . 1 . 40 H N . 17080 1
184 . 1 1 45 45 PRO HA H 1 4.531 0.02 . 1 . . 1 . 41 P HA . 17080 1
185 . 1 1 45 45 PRO HB2 H 1 2.097 0.02 . 2 . . 1 . 41 P HB2 . 17080 1
186 . 1 1 45 45 PRO HB3 H 1 2.097 0.02 . 2 . . 1 . 41 P HB3 . 17080 1
187 . 1 1 45 45 PRO HD2 H 1 4.031 0.02 . 2 . . 1 . 41 P HD2 . 17080 1
188 . 1 1 45 45 PRO HD3 H 1 4.031 0.02 . 2 . . 1 . 41 P HD3 . 17080 1
189 . 1 1 45 45 PRO HG2 H 1 1.978 0.02 . 2 . . 1 . 41 P HG2 . 17080 1
190 . 1 1 45 45 PRO HG3 H 1 1.978 0.02 . 2 . . 1 . 41 P HG3 . 17080 1
191 . 1 1 45 45 PRO C C 13 175.788 0.02 . 1 . . 1 . 41 P C . 17080 1
192 . 1 1 45 45 PRO CA C 13 62.290 0.02 . 1 . . 1 . 41 P CA . 17080 1
193 . 1 1 45 45 PRO CB C 13 31.920 0.02 . 1 . . 1 . 41 P CB . 17080 1
194 . 1 1 45 45 PRO CD C 13 50.501 0.02 . 1 . . 1 . 41 P CD . 17080 1
195 . 1 1 45 45 PRO CG C 13 28.878 0.02 . 1 . . 1 . 41 P CG . 17080 1
196 . 1 1 46 46 ASN H H 1 8.938 0.02 . 1 . . 1 . 42 N H . 17080 1
197 . 1 1 46 46 ASN HA H 1 4.085 0.02 . 1 . . 1 . 42 N HA . 17080 1
198 . 1 1 46 46 ASN HB2 H 1 2.695 0.02 . 2 . . 1 . 42 N HB2 . 17080 1
199 . 1 1 46 46 ASN HB3 H 1 2.890 0.02 . 2 . . 1 . 42 N HB3 . 17080 1
200 . 1 1 46 46 ASN HD21 H 1 7.549 0.02 . 2 . . 1 . 42 N HD21 . 17080 1
201 . 1 1 46 46 ASN HD22 H 1 6.880 0.02 . 2 . . 1 . 42 N HD22 . 17080 1
202 . 1 1 46 46 ASN C C 13 174.728 0.02 . 1 . . 1 . 42 N C . 17080 1
203 . 1 1 46 46 ASN CA C 13 55.625 0.02 . 1 . . 1 . 42 N CA . 17080 1
204 . 1 1 46 46 ASN CB C 13 37.033 0.02 . 1 . . 1 . 42 N CB . 17080 1
205 . 1 1 46 46 ASN N N 15 124.007 0.02 . 1 . . 1 . 42 N N . 17080 1
206 . 1 1 46 46 ASN ND2 N 15 112.874 0.02 . 1 . . 1 . 42 N ND2 . 17080 1
207 . 1 1 47 47 ASP H H 1 8.754 0.02 . 1 . . 1 . 43 D H . 17080 1
208 . 1 1 47 47 ASP HA H 1 4.183 0.02 . 1 . . 1 . 43 D HA . 17080 1
209 . 1 1 47 47 ASP HB2 H 1 2.580 0.02 . 2 . . 1 . 43 D HB2 . 17080 1
210 . 1 1 47 47 ASP HB3 H 1 2.690 0.02 . 2 . . 1 . 43 D HB3 . 17080 1
211 . 1 1 47 47 ASP C C 13 176.000 0.02 . 1 . . 1 . 43 D C . 17080 1
212 . 1 1 47 47 ASP CA C 13 56.191 0.02 . 1 . . 1 . 43 D CA . 17080 1
213 . 1 1 47 47 ASP CB C 13 39.098 0.02 . 1 . . 1 . 43 D CB . 17080 1
214 . 1 1 47 47 ASP N N 15 115.561 0.02 . 1 . . 1 . 43 D N . 17080 1
215 . 1 1 48 48 LYS H H 1 7.202 0.02 . 1 . . 1 . 44 K H . 17080 1
216 . 1 1 48 48 LYS HA H 1 4.108 0.02 . 1 . . 1 . 44 K HA . 17080 1
217 . 1 1 48 48 LYS HB2 H 1 1.740 0.02 . 2 . . 1 . 44 K HB2 . 17080 1
218 . 1 1 48 48 LYS HB3 H 1 1.824 0.02 . 2 . . 1 . 44 K HB3 . 17080 1
219 . 1 1 48 48 LYS HD2 H 1 1.662 0.02 . 2 . . 1 . 44 K HD2 . 17080 1
220 . 1 1 48 48 LYS HD3 H 1 1.662 0.02 . 2 . . 1 . 44 K HD3 . 17080 1
221 . 1 1 48 48 LYS HE2 H 1 3.066 0.02 . 2 . . 1 . 44 K HE2 . 17080 1
222 . 1 1 48 48 LYS HE3 H 1 3.066 0.02 . 2 . . 1 . 44 K HE3 . 17080 1
223 . 1 1 48 48 LYS HG2 H 1 1.332 0.02 . 2 . . 1 . 44 K HG2 . 17080 1
224 . 1 1 48 48 LYS HG3 H 1 1.462 0.02 . 2 . . 1 . 44 K HG3 . 17080 1
225 . 1 1 48 48 LYS C C 13 175.213 0.02 . 1 . . 1 . 44 K C . 17080 1
226 . 1 1 48 48 LYS CA C 13 57.919 0.02 . 1 . . 1 . 44 K CA . 17080 1
227 . 1 1 48 48 LYS CB C 13 32.256 0.02 . 1 . . 1 . 44 K CB . 17080 1
228 . 1 1 48 48 LYS CD C 13 28.841 0.02 . 1 . . 1 . 44 K CD . 17080 1
229 . 1 1 48 48 LYS CE C 13 41.730 0.02 . 1 . . 1 . 44 K CE . 17080 1
230 . 1 1 48 48 LYS CG C 13 24.860 0.02 . 1 . . 1 . 44 K CG . 17080 1
231 . 1 1 48 48 LYS N N 15 119.439 0.02 . 1 . . 1 . 44 K N . 17080 1
232 . 1 1 49 49 VAL H H 1 6.894 0.02 . 1 . . 1 . 45 V H . 17080 1
233 . 1 1 49 49 VAL HA H 1 3.380 0.02 . 1 . . 1 . 45 V HA . 17080 1
234 . 1 1 49 49 VAL HB H 1 1.772 0.02 . 1 . . 1 . 45 V HB . 17080 1
235 . 1 1 49 49 VAL HG11 H 1 0.668 0.02 . 1 . . 1 . 45 V QG1 . 17080 1
236 . 1 1 49 49 VAL HG12 H 1 0.668 0.02 . 1 . . 1 . 45 V QG1 . 17080 1
237 . 1 1 49 49 VAL HG13 H 1 0.668 0.02 . 1 . . 1 . 45 V QG1 . 17080 1
238 . 1 1 49 49 VAL HG21 H 1 0.651 0.02 . 1 . . 1 . 45 V QG2 . 17080 1
239 . 1 1 49 49 VAL HG22 H 1 0.651 0.02 . 1 . . 1 . 45 V QG2 . 17080 1
240 . 1 1 49 49 VAL HG23 H 1 0.651 0.02 . 1 . . 1 . 45 V QG2 . 17080 1
241 . 1 1 49 49 VAL C C 13 173.305 0.02 . 1 . . 1 . 45 V C . 17080 1
242 . 1 1 49 49 VAL CA C 13 65.320 0.02 . 1 . . 1 . 45 V CA . 17080 1
243 . 1 1 49 49 VAL CB C 13 31.136 0.02 . 1 . . 1 . 45 V CB . 17080 1
244 . 1 1 49 49 VAL CG1 C 13 22.020 0.02 . 2 . . 1 . 45 V CG1 . 17080 1
245 . 1 1 49 49 VAL CG2 C 13 21.631 0.02 . 2 . . 1 . 45 V CG2 . 17080 1
246 . 1 1 49 49 VAL N N 15 118.315 0.02 . 1 . . 1 . 45 V N . 17080 1
247 . 1 1 50 50 MET H H 1 7.790 0.02 . 1 . . 1 . 46 M H . 17080 1
248 . 1 1 50 50 MET HA H 1 4.660 0.02 . 1 . . 1 . 46 M HA . 17080 1
249 . 1 1 50 50 MET HB2 H 1 1.874 0.02 . 2 . . 1 . 46 M HB2 . 17080 1
250 . 1 1 50 50 MET HB3 H 1 2.196 0.02 . 2 . . 1 . 46 M HB3 . 17080 1
251 . 1 1 50 50 MET HE1 H 1 2.010 0.02 . 1 . . 1 . 46 M QE . 17080 1
252 . 1 1 50 50 MET HE2 H 1 2.010 0.02 . 1 . . 1 . 46 M QE . 17080 1
253 . 1 1 50 50 MET HE3 H 1 2.010 0.02 . 1 . . 1 . 46 M QE . 17080 1
254 . 1 1 50 50 MET HG2 H 1 2.621 0.02 . 2 . . 1 . 46 M HG2 . 17080 1
255 . 1 1 50 50 MET HG3 H 1 2.438 0.02 . 2 . . 1 . 46 M HG3 . 17080 1
256 . 1 1 50 50 MET C C 13 173.305 0.02 . 1 . . 1 . 46 M C . 17080 1
257 . 1 1 50 50 MET CA C 13 56.640 0.02 . 1 . . 1 . 46 M CA . 17080 1
258 . 1 1 50 50 MET CB C 13 34.155 0.02 . 1 . . 1 . 46 M CB . 17080 1
259 . 1 1 50 50 MET CE C 13 16.061 0.02 . 1 . . 1 . 46 M CE . 17080 1
260 . 1 1 50 50 MET CG C 13 32.253 0.02 . 1 . . 1 . 46 M CG . 17080 1
261 . 1 1 50 50 MET N N 15 113.521 0.02 . 1 . . 1 . 46 M N . 17080 1
262 . 1 1 51 51 GLY H H 1 7.106 0.02 . 1 . . 1 . 47 G H . 17080 1
263 . 1 1 51 51 GLY HA2 H 1 4.345 0.02 . 2 . . 1 . 47 G HA2 . 17080 1
264 . 1 1 51 51 GLY HA3 H 1 3.860 0.02 . 2 . . 1 . 47 G HA3 . 17080 1
265 . 1 1 51 51 GLY C C 13 169.613 0.02 . 1 . . 1 . 47 G C . 17080 1
266 . 1 1 51 51 GLY CA C 13 43.460 0.02 . 1 . . 1 . 47 G CA . 17080 1
267 . 1 1 51 51 GLY N N 15 107.227 0.02 . 1 . . 1 . 47 G N . 17080 1
268 . 1 1 52 52 PRO HA H 1 4.310 0.02 . 1 . . 1 . 48 P HA . 17080 1
269 . 1 1 52 52 PRO HB2 H 1 2.299 0.02 . 2 . . 1 . 48 P HB2 . 17080 1
270 . 1 1 52 52 PRO HB3 H 1 2.299 0.02 . 2 . . 1 . 48 P HB3 . 17080 1
271 . 1 1 52 52 PRO HD2 H 1 4.130 0.02 . 2 . . 1 . 48 P HD2 . 17080 1
272 . 1 1 52 52 PRO HD3 H 1 3.710 0.02 . 2 . . 1 . 48 P HD3 . 17080 1
273 . 1 1 52 52 PRO HG2 H 1 2.120 0.02 . 2 . . 1 . 48 P HG2 . 17080 1
274 . 1 1 52 52 PRO HG3 H 1 2.120 0.02 . 2 . . 1 . 48 P HG3 . 17080 1
275 . 1 1 52 52 PRO C C 13 174.880 0.02 . 1 . . 1 . 48 P C . 17080 1
276 . 1 1 52 52 PRO CA C 13 63.239 0.02 . 1 . . 1 . 48 P CA . 17080 1
277 . 1 1 52 52 PRO CB C 13 31.930 0.02 . 1 . . 1 . 48 P CB . 17080 1
278 . 1 1 52 52 PRO CD C 13 50.542 0.02 . 1 . . 1 . 48 P CD . 17080 1
279 . 1 1 52 52 PRO CG C 13 26.750 0.02 . 1 . . 1 . 48 P CG . 17080 1
280 . 1 1 53 53 GLY H H 1 7.946 0.02 . 1 . . 1 . 49 G H . 17080 1
281 . 1 1 53 53 GLY HA2 H 1 3.976 0.02 . 2 . . 1 . 49 G HA2 . 17080 1
282 . 1 1 53 53 GLY HA3 H 1 3.740 0.02 . 2 . . 1 . 49 G HA3 . 17080 1
283 . 1 1 53 53 GLY C C 13 176.402 0.02 . 1 . . 1 . 49 G C . 17080 1
284 . 1 1 53 53 GLY CA C 13 43.896 0.02 . 1 . . 1 . 49 G CA . 17080 1
285 . 1 1 53 53 GLY N N 15 106.919 0.02 . 1 . . 1 . 49 G N . 17080 1
286 . 1 1 54 54 VAL H H 1 8.208 0.02 . 1 . . 1 . 50 V H . 17080 1
287 . 1 1 54 54 VAL HA H 1 3.990 0.02 . 1 . . 1 . 50 V HA . 17080 1
288 . 1 1 54 54 VAL HB H 1 1.414 0.02 . 1 . . 1 . 50 V HB . 17080 1
289 . 1 1 54 54 VAL HG11 H 1 0.192 0.02 . 1 . . 1 . 50 V QG1 . 17080 1
290 . 1 1 54 54 VAL HG12 H 1 0.192 0.02 . 1 . . 1 . 50 V QG1 . 17080 1
291 . 1 1 54 54 VAL HG13 H 1 0.192 0.02 . 1 . . 1 . 50 V QG1 . 17080 1
292 . 1 1 54 54 VAL HG21 H 1 1.014 0.02 . 1 . . 1 . 50 V QG2 . 17080 1
293 . 1 1 54 54 VAL HG22 H 1 1.014 0.02 . 1 . . 1 . 50 V QG2 . 17080 1
294 . 1 1 54 54 VAL HG23 H 1 1.014 0.02 . 1 . . 1 . 50 V QG2 . 17080 1
295 . 1 1 54 54 VAL C C 13 172.488 0.02 . 1 . . 1 . 50 V C . 17080 1
296 . 1 1 54 54 VAL CA C 13 60.184 0.02 . 1 . . 1 . 50 V CA . 17080 1
297 . 1 1 54 54 VAL CB C 13 33.406 0.02 . 1 . . 1 . 50 V CB . 17080 1
298 . 1 1 54 54 VAL CG1 C 13 20.280 0.02 . 2 . . 1 . 50 V CG1 . 17080 1
299 . 1 1 54 54 VAL CG2 C 13 20.901 0.02 . 2 . . 1 . 50 V CG2 . 17080 1
300 . 1 1 54 54 VAL N N 15 117.561 0.02 . 1 . . 1 . 50 V N . 17080 1
301 . 1 1 55 55 SER H H 1 8.154 0.02 . 1 . . 1 . 51 S H . 17080 1
302 . 1 1 55 55 SER HA H 1 5.966 0.02 . 1 . . 1 . 51 S HA . 17080 1
303 . 1 1 55 55 SER HB2 H 1 3.446 0.02 . 2 . . 1 . 51 S HB2 . 17080 1
304 . 1 1 55 55 SER HB3 H 1 3.559 0.02 . 2 . . 1 . 51 S HB3 . 17080 1
305 . 1 1 55 55 SER C C 13 170.610 0.02 . 1 . . 1 . 51 S C . 17080 1
306 . 1 1 55 55 SER CA C 13 56.757 0.02 . 1 . . 1 . 51 S CA . 17080 1
307 . 1 1 55 55 SER CB C 13 65.325 0.02 . 1 . . 1 . 51 S CB . 17080 1
308 . 1 1 55 55 SER N N 15 120.746 0.02 . 1 . . 1 . 51 S N . 17080 1
309 . 1 1 56 56 TYR H H 1 9.184 0.02 . 1 . . 1 . 52 Y H . 17080 1
310 . 1 1 56 56 TYR HA H 1 4.720 0.02 . 1 . . 1 . 52 Y HA . 17080 1
311 . 1 1 56 56 TYR HB2 H 1 2.880 0.02 . 2 . . 1 . 52 Y HB2 . 17080 1
312 . 1 1 56 56 TYR HB3 H 1 2.440 0.02 . 2 . . 1 . 52 Y HB3 . 17080 1
313 . 1 1 56 56 TYR HD1 H 1 6.929 0.02 . 3 . . 1 . 52 Y QD . 17080 1
314 . 1 1 56 56 TYR HD2 H 1 6.929 0.02 . 3 . . 1 . 52 Y QD . 17080 1
315 . 1 1 56 56 TYR HE1 H 1 6.606 0.02 . 3 . . 1 . 52 Y QE . 17080 1
316 . 1 1 56 56 TYR HE2 H 1 6.606 0.02 . 3 . . 1 . 52 Y QE . 17080 1
317 . 1 1 56 56 TYR C C 13 171.519 0.02 . 1 . . 1 . 52 Y C . 17080 1
318 . 1 1 56 56 TYR CA C 13 56.720 0.02 . 1 . . 1 . 52 Y CA . 17080 1
319 . 1 1 56 56 TYR CB C 13 43.650 0.02 . 1 . . 1 . 52 Y CB . 17080 1
320 . 1 1 56 56 TYR CD1 C 13 132.806 0.02 . 3 . . 1 . 52 Y CD1 . 17080 1
321 . 1 1 56 56 TYR CD2 C 13 132.806 0.02 . 3 . . 1 . 52 Y CD2 . 17080 1
322 . 1 1 56 56 TYR CE1 C 13 116.951 0.02 . 3 . . 1 . 52 Y CE1 . 17080 1
323 . 1 1 56 56 TYR CE2 C 13 116.951 0.02 . 3 . . 1 . 52 Y CE2 . 17080 1
324 . 1 1 56 56 TYR N N 15 120.273 0.02 . 1 . . 1 . 52 Y N . 17080 1
325 . 1 1 57 57 LEU H H 1 8.537 0.02 . 1 . . 1 . 53 L H . 17080 1
326 . 1 1 57 57 LEU HA H 1 5.321 0.02 . 1 . . 1 . 53 L HA . 17080 1
327 . 1 1 57 57 LEU HB2 H 1 1.808 0.02 . 2 . . 1 . 53 L HB2 . 17080 1
328 . 1 1 57 57 LEU HB3 H 1 1.590 0.02 . 2 . . 1 . 53 L HB3 . 17080 1
329 . 1 1 57 57 LEU HD11 H 1 0.902 0.02 . 1 . . 1 . 53 L QD1 . 17080 1
330 . 1 1 57 57 LEU HD12 H 1 0.902 0.02 . 1 . . 1 . 53 L QD1 . 17080 1
331 . 1 1 57 57 LEU HD13 H 1 0.902 0.02 . 1 . . 1 . 53 L QD1 . 17080 1
332 . 1 1 57 57 LEU HD21 H 1 0.909 0.02 . 1 . . 1 . 53 L QD2 . 17080 1
333 . 1 1 57 57 LEU HD22 H 1 0.909 0.02 . 1 . . 1 . 53 L QD2 . 17080 1
334 . 1 1 57 57 LEU HD23 H 1 0.909 0.02 . 1 . . 1 . 53 L QD2 . 17080 1
335 . 1 1 57 57 LEU HG H 1 1.125 0.02 . 1 . . 1 . 53 L HG . 17080 1
336 . 1 1 57 57 LEU C C 13 174.244 0.02 . 1 . . 1 . 53 L C . 17080 1
337 . 1 1 57 57 LEU CA C 13 54.333 0.02 . 1 . . 1 . 53 L CA . 17080 1
338 . 1 1 57 57 LEU CB C 13 40.811 0.02 . 1 . . 1 . 53 L CB . 17080 1
339 . 1 1 57 57 LEU CD1 C 13 23.738 0.02 . 2 . . 1 . 53 L CD1 . 17080 1
340 . 1 1 57 57 LEU CD2 C 13 22.700 0.02 . 2 . . 1 . 53 L CD2 . 17080 1
341 . 1 1 57 57 LEU CG C 13 23.972 0.02 . 1 . . 1 . 53 L CG . 17080 1
342 . 1 1 57 57 LEU N N 15 125.638 0.02 . 1 . . 1 . 53 L N . 17080 1
343 . 1 1 58 58 VAL H H 1 8.510 0.02 . 1 . . 1 . 54 V H . 17080 1
344 . 1 1 58 58 VAL HA H 1 4.945 0.02 . 1 . . 1 . 54 V HA . 17080 1
345 . 1 1 58 58 VAL HB H 1 2.530 0.02 . 1 . . 1 . 54 V HB . 17080 1
346 . 1 1 58 58 VAL HG11 H 1 0.908 0.02 . 1 . . 1 . 54 V QG1 . 17080 1
347 . 1 1 58 58 VAL HG12 H 1 0.908 0.02 . 1 . . 1 . 54 V QG1 . 17080 1
348 . 1 1 58 58 VAL HG13 H 1 0.908 0.02 . 1 . . 1 . 54 V QG1 . 17080 1
349 . 1 1 58 58 VAL HG21 H 1 0.808 0.02 . 1 . . 1 . 54 V QG2 . 17080 1
350 . 1 1 58 58 VAL HG22 H 1 0.808 0.02 . 1 . . 1 . 54 V QG2 . 17080 1
351 . 1 1 58 58 VAL HG23 H 1 0.808 0.02 . 1 . . 1 . 54 V QG2 . 17080 1
352 . 1 1 58 58 VAL C C 13 171.004 0.02 . 1 . . 1 . 54 V C . 17080 1
353 . 1 1 58 58 VAL CA C 13 58.294 0.02 . 1 . . 1 . 54 V CA . 17080 1
354 . 1 1 58 58 VAL CB C 13 34.553 0.02 . 1 . . 1 . 54 V CB . 17080 1
355 . 1 1 58 58 VAL CG1 C 13 23.068 0.02 . 2 . . 1 . 54 V CG1 . 17080 1
356 . 1 1 58 58 VAL CG2 C 13 19.581 0.02 . 2 . . 1 . 54 V CG2 . 17080 1
357 . 1 1 58 58 VAL N N 15 116.810 0.02 . 1 . . 1 . 54 V N . 17080 1
358 . 1 1 59 59 ARG H H 1 8.727 0.02 . 1 . . 1 . 55 R H . 17080 1
359 . 1 1 59 59 ARG HA H 1 5.191 0.02 . 1 . . 1 . 55 R HA . 17080 1
360 . 1 1 59 59 ARG HB2 H 1 1.795 0.02 . 2 . . 1 . 55 R HB2 . 17080 1
361 . 1 1 59 59 ARG HB3 H 1 1.795 0.02 . 2 . . 1 . 55 R HB3 . 17080 1
362 . 1 1 59 59 ARG HG2 H 1 1.320 0.02 . 2 . . 1 . 55 R HG2 . 17080 1
363 . 1 1 59 59 ARG HG3 H 1 1.464 0.02 . 2 . . 1 . 55 R HG3 . 17080 1
364 . 1 1 59 59 ARG C C 13 173.184 0.02 . 1 . . 1 . 55 R C . 17080 1
365 . 1 1 59 59 ARG CA C 13 54.877 0.02 . 1 . . 1 . 55 R CA . 17080 1
366 . 1 1 59 59 ARG CB C 13 33.401 0.02 . 1 . . 1 . 55 R CB . 17080 1
367 . 1 1 59 59 ARG CG C 13 27.323 0.02 . 1 . . 1 . 55 R CG . 17080 1
368 . 1 1 59 59 ARG N N 15 120.146 0.02 . 1 . . 1 . 55 R N . 17080 1
369 . 1 1 60 60 TYR H H 1 9.126 0.02 . 1 . . 1 . 56 Y H . 17080 1
370 . 1 1 60 60 TYR HA H 1 4.800 0.02 . 1 . . 1 . 56 Y HA . 17080 1
371 . 1 1 60 60 TYR HB2 H 1 3.260 0.02 . 2 . . 1 . 56 Y HB2 . 17080 1
372 . 1 1 60 60 TYR HB3 H 1 3.034 0.02 . 2 . . 1 . 56 Y HB3 . 17080 1
373 . 1 1 60 60 TYR HD1 H 1 7.150 0.02 . 3 . . 1 . 56 Y QD . 17080 1
374 . 1 1 60 60 TYR HD2 H 1 7.150 0.02 . 3 . . 1 . 56 Y QD . 17080 1
375 . 1 1 60 60 TYR HE1 H 1 7.093 0.02 . 3 . . 1 . 56 Y QE . 17080 1
376 . 1 1 60 60 TYR HE2 H 1 7.093 0.02 . 3 . . 1 . 56 Y QE . 17080 1
377 . 1 1 60 60 TYR C C 13 173.366 0.02 . 1 . . 1 . 56 Y C . 17080 1
378 . 1 1 60 60 TYR CA C 13 57.872 0.02 . 1 . . 1 . 56 Y CA . 17080 1
379 . 1 1 60 60 TYR CB C 13 39.099 0.02 . 1 . . 1 . 56 Y CB . 17080 1
380 . 1 1 60 60 TYR CD1 C 13 132.460 0.02 . 3 . . 1 . 56 Y CD1 . 17080 1
381 . 1 1 60 60 TYR CD2 C 13 132.460 0.02 . 3 . . 1 . 56 Y CD2 . 17080 1
382 . 1 1 60 60 TYR CE1 C 13 117.688 0.02 . 3 . . 1 . 56 Y CE1 . 17080 1
383 . 1 1 60 60 TYR CE2 C 13 117.688 0.02 . 3 . . 1 . 56 Y CE2 . 17080 1
384 . 1 1 60 60 TYR N N 15 128.672 0.02 . 1 . . 1 . 56 Y N . 17080 1
385 . 1 1 61 61 MET H H 1 8.782 0.02 . 1 . . 1 . 57 M H . 17080 1
386 . 1 1 61 61 MET HA H 1 4.880 0.02 . 1 . . 1 . 57 M HA . 17080 1
387 . 1 1 61 61 MET HB2 H 1 2.493 0.02 . 2 . . 1 . 57 M HB2 . 17080 1
388 . 1 1 61 61 MET HB3 H 1 2.493 0.02 . 2 . . 1 . 57 M HB3 . 17080 1
389 . 1 1 61 61 MET HE1 H 1 2.073 0.02 . 1 . . 1 . 57 M QE . 17080 1
390 . 1 1 61 61 MET HE2 H 1 2.073 0.02 . 1 . . 1 . 57 M QE . 17080 1
391 . 1 1 61 61 MET HE3 H 1 2.073 0.02 . 1 . . 1 . 57 M QE . 17080 1
392 . 1 1 61 61 MET HG2 H 1 2.060 0.02 . 2 . . 1 . 57 M HG2 . 17080 1
393 . 1 1 61 61 MET HG3 H 1 2.060 0.02 . 2 . . 1 . 57 M HG3 . 17080 1
394 . 1 1 61 61 MET C C 13 170.398 0.02 . 1 . . 1 . 57 M C . 17080 1
395 . 1 1 61 61 MET CA C 13 53.030 0.02 . 1 . . 1 . 57 M CA . 17080 1
396 . 1 1 61 61 MET CB C 13 30.552 0.02 . 1 . . 1 . 57 M CB . 17080 1
397 . 1 1 61 61 MET CE C 13 16.878 0.02 . 1 . . 1 . 57 M CE . 17080 1
398 . 1 1 61 61 MET CG C 13 28.288 0.02 . 1 . . 1 . 57 M CG . 17080 1
399 . 1 1 61 61 MET N N 15 123.446 0.02 . 1 . . 1 . 57 M N . 17080 1
400 . 1 1 62 62 GLY H H 1 5.331 0.02 . 1 . . 1 . 58 G H . 17080 1
401 . 1 1 62 62 GLY HA2 H 1 4.460 0.02 . 2 . . 1 . 58 G HA2 . 17080 1
402 . 1 1 62 62 GLY HA3 H 1 3.570 0.02 . 2 . . 1 . 58 G HA3 . 17080 1
403 . 1 1 62 62 GLY C C 13 168.097 0.02 . 1 . . 1 . 58 G C . 17080 1
404 . 1 1 62 62 GLY CA C 13 42.710 0.02 . 1 . . 1 . 58 G CA . 17080 1
405 . 1 1 62 62 GLY N N 15 132.909 0.02 . 1 . . 1 . 58 G N . 17080 1
406 . 1 1 63 63 CYS H H 1 7.685 0.02 . 1 . . 1 . 59 C H . 17080 1
407 . 1 1 63 63 CYS HA H 1 5.722 0.02 . 1 . . 1 . 59 C HA . 17080 1
408 . 1 1 63 63 CYS HB2 H 1 2.500 0.02 . 2 . . 1 . 59 C HB2 . 17080 1
409 . 1 1 63 63 CYS HB3 H 1 2.500 0.02 . 2 . . 1 . 59 C HB3 . 17080 1
410 . 1 1 63 63 CYS C C 13 170.099 0.02 . 1 . . 1 . 59 C C . 17080 1
411 . 1 1 63 63 CYS CA C 13 53.749 0.02 . 1 . . 1 . 59 C CA . 17080 1
412 . 1 1 63 63 CYS CB C 13 32.544 0.02 . 1 . . 1 . 59 C CB . 17080 1
413 . 1 1 63 63 CYS N N 15 107.331 0.02 . 1 . . 1 . 59 C N . 17080 1
414 . 1 1 64 64 VAL H H 1 8.034 0.02 . 1 . . 1 . 60 V H . 17080 1
415 . 1 1 64 64 VAL HA H 1 4.558 0.02 . 1 . . 1 . 60 V HA . 17080 1
416 . 1 1 64 64 VAL HB H 1 1.574 0.02 . 1 . . 1 . 60 V HB . 17080 1
417 . 1 1 64 64 VAL HG11 H 1 0.826 0.02 . 1 . . 1 . 60 V QG1 . 17080 1
418 . 1 1 64 64 VAL HG12 H 1 0.826 0.02 . 1 . . 1 . 60 V QG1 . 17080 1
419 . 1 1 64 64 VAL HG13 H 1 0.826 0.02 . 1 . . 1 . 60 V QG1 . 17080 1
420 . 1 1 64 64 VAL HG21 H 1 0.672 0.02 . 1 . . 1 . 60 V QG2 . 17080 1
421 . 1 1 64 64 VAL HG22 H 1 0.672 0.02 . 1 . . 1 . 60 V QG2 . 17080 1
422 . 1 1 64 64 VAL HG23 H 1 0.672 0.02 . 1 . . 1 . 60 V QG2 . 17080 1
423 . 1 1 64 64 VAL C C 13 172.721 0.02 . 1 . . 1 . 60 V C . 17080 1
424 . 1 1 64 64 VAL CA C 13 59.770 0.02 . 1 . . 1 . 60 V CA . 17080 1
425 . 1 1 64 64 VAL CB C 13 35.121 0.02 . 1 . . 1 . 60 V CB . 17080 1
426 . 1 1 64 64 VAL CG1 C 13 20.872 0.02 . 2 . . 1 . 60 V CG1 . 17080 1
427 . 1 1 64 64 VAL CG2 C 13 21.400 0.02 . 2 . . 1 . 60 V CG2 . 17080 1
428 . 1 1 64 64 VAL N N 15 117.907 0.02 . 1 . . 1 . 60 V N . 17080 1
429 . 1 1 65 65 GLU H H 1 8.519 0.02 . 1 . . 1 . 61 E H . 17080 1
430 . 1 1 65 65 GLU HA H 1 4.190 0.02 . 1 . . 1 . 61 E HA . 17080 1
431 . 1 1 65 65 GLU HB2 H 1 2.080 0.02 . 2 . . 1 . 61 E HB2 . 17080 1
432 . 1 1 65 65 GLU HB3 H 1 2.080 0.02 . 2 . . 1 . 61 E HB3 . 17080 1
433 . 1 1 65 65 GLU HG2 H 1 2.292 0.02 . 2 . . 1 . 61 E HG2 . 17080 1
434 . 1 1 65 65 GLU HG3 H 1 2.665 0.02 . 2 . . 1 . 61 E HG3 . 17080 1
435 . 1 1 65 65 GLU C C 13 172.730 0.02 . 1 . . 1 . 61 E C . 17080 1
436 . 1 1 65 65 GLU CA C 13 57.440 0.02 . 1 . . 1 . 61 E CA . 17080 1
437 . 1 1 65 65 GLU CB C 13 31.190 0.02 . 1 . . 1 . 61 E CB . 17080 1
438 . 1 1 65 65 GLU CG C 13 36.258 0.02 . 1 . . 1 . 61 E CG . 17080 1
439 . 1 1 65 65 GLU N N 15 127.896 0.02 . 1 . . 1 . 61 E N . 17080 1
440 . 1 1 66 66 VAL H H 1 8.486 0.02 . 1 . . 1 . 62 V H . 17080 1
441 . 1 1 66 66 VAL HA H 1 4.570 0.02 . 1 . . 1 . 62 V HA . 17080 1
442 . 1 1 66 66 VAL HB H 1 1.423 0.02 . 1 . . 1 . 62 V HB . 17080 1
443 . 1 1 66 66 VAL HG11 H 1 0.806 0.02 . 1 . . 1 . 62 V QG1 . 17080 1
444 . 1 1 66 66 VAL HG12 H 1 0.806 0.02 . 1 . . 1 . 62 V QG1 . 17080 1
445 . 1 1 66 66 VAL HG13 H 1 0.806 0.02 . 1 . . 1 . 62 V QG1 . 17080 1
446 . 1 1 66 66 VAL HG21 H 1 0.138 0.02 . 1 . . 1 . 62 V QG2 . 17080 1
447 . 1 1 66 66 VAL HG22 H 1 0.138 0.02 . 1 . . 1 . 62 V QG2 . 17080 1
448 . 1 1 66 66 VAL HG23 H 1 0.138 0.02 . 1 . . 1 . 62 V QG2 . 17080 1
449 . 1 1 66 66 VAL C C 13 174.848 0.02 . 1 . . 1 . 62 V C . 17080 1
450 . 1 1 66 66 VAL CA C 13 61.376 0.02 . 1 . . 1 . 62 V CA . 17080 1
451 . 1 1 66 66 VAL CB C 13 33.407 0.02 . 1 . . 1 . 62 V CB . 17080 1
452 . 1 1 66 66 VAL CG1 C 13 21.590 0.02 . 2 . . 1 . 62 V CG1 . 17080 1
453 . 1 1 66 66 VAL CG2 C 13 19.689 0.02 . 2 . . 1 . 62 V CG2 . 17080 1
454 . 1 1 66 66 VAL N N 15 124.299 0.02 . 1 . . 1 . 62 V N . 17080 1
455 . 1 1 67 67 LEU H H 1 9.359 0.02 . 1 . . 1 . 63 L H . 17080 1
456 . 1 1 67 67 LEU HA H 1 4.110 0.02 . 1 . . 1 . 63 L HA . 17080 1
457 . 1 1 67 67 LEU HB2 H 1 1.652 0.02 . 2 . . 1 . 63 L HB2 . 17080 1
458 . 1 1 67 67 LEU HB3 H 1 1.652 0.02 . 2 . . 1 . 63 L HB3 . 17080 1
459 . 1 1 67 67 LEU HD11 H 1 0.806 0.02 . 1 . . 1 . 63 L QD1 . 17080 1
460 . 1 1 67 67 LEU HD12 H 1 0.806 0.02 . 1 . . 1 . 63 L QD1 . 17080 1
461 . 1 1 67 67 LEU HD13 H 1 0.806 0.02 . 1 . . 1 . 63 L QD1 . 17080 1
462 . 1 1 67 67 LEU HD21 H 1 0.705 0.02 . 1 . . 1 . 63 L QD2 . 17080 1
463 . 1 1 67 67 LEU HD22 H 1 0.705 0.02 . 1 . . 1 . 63 L QD2 . 17080 1
464 . 1 1 67 67 LEU HD23 H 1 0.705 0.02 . 1 . . 1 . 63 L QD2 . 17080 1
465 . 1 1 67 67 LEU HG H 1 1.333 0.02 . 1 . . 1 . 63 L HG . 17080 1
466 . 1 1 67 67 LEU C C 13 173.718 0.02 . 1 . . 1 . 63 L C . 17080 1
467 . 1 1 67 67 LEU CA C 13 56.011 0.02 . 1 . . 1 . 63 L CA . 17080 1
468 . 1 1 67 67 LEU CB C 13 41.602 0.02 . 1 . . 1 . 63 L CB . 17080 1
469 . 1 1 67 67 LEU CD1 C 13 21.590 0.02 . 2 . . 1 . 63 L CD1 . 17080 1
470 . 1 1 67 67 LEU CD2 C 13 24.373 0.02 . 2 . . 1 . 63 L CD2 . 17080 1
471 . 1 1 67 67 LEU CG C 13 26.941 0.02 . 1 . . 1 . 63 L CG . 17080 1
472 . 1 1 67 67 LEU N N 15 126.356 0.02 . 1 . . 1 . 63 L N . 17080 1
473 . 1 1 68 68 GLN H H 1 6.973 0.02 . 1 . . 1 . 64 Q H . 17080 1
474 . 1 1 68 68 GLN HA H 1 4.543 0.02 . 1 . . 1 . 64 Q HA . 17080 1
475 . 1 1 68 68 GLN HB2 H 1 2.030 0.02 . 2 . . 1 . 64 Q HB2 . 17080 1
476 . 1 1 68 68 GLN HB3 H 1 2.030 0.02 . 2 . . 1 . 64 Q HB3 . 17080 1
477 . 1 1 68 68 GLN HE21 H 1 6.730 0.02 . 2 . . 1 . 64 Q HE21 . 17080 1
478 . 1 1 68 68 GLN HE22 H 1 7.214 0.02 . 2 . . 1 . 64 Q HE22 . 17080 1
479 . 1 1 68 68 GLN HG2 H 1 2.258 0.02 . 2 . . 1 . 64 Q HG2 . 17080 1
480 . 1 1 68 68 GLN HG3 H 1 2.258 0.02 . 2 . . 1 . 64 Q HG3 . 17080 1
481 . 1 1 68 68 GLN C C 13 170.343 0.02 . 1 . . 1 . 64 Q C . 17080 1
482 . 1 1 68 68 GLN CA C 13 52.763 0.02 . 1 . . 1 . 64 Q CA . 17080 1
483 . 1 1 68 68 GLN CB C 13 32.191 0.02 . 1 . . 1 . 64 Q CB . 17080 1
484 . 1 1 68 68 GLN CG C 13 32.822 0.02 . 1 . . 1 . 64 Q CG . 17080 1
485 . 1 1 68 68 GLN N N 15 115.043 0.02 . 1 . . 1 . 64 Q N . 17080 1
486 . 1 1 68 68 GLN NE2 N 15 110.104 0.02 . 1 . . 1 . 64 Q NE2 . 17080 1
487 . 1 1 69 69 SER H H 1 8.069 0.02 . 1 . . 1 . 65 S H . 17080 1
488 . 1 1 69 69 SER HA H 1 4.067 0.02 . 1 . . 1 . 65 S HA . 17080 1
489 . 1 1 69 69 SER HB2 H 1 4.015 0.02 . 2 . . 1 . 65 S HB2 . 17080 1
490 . 1 1 69 69 SER HB3 H 1 4.015 0.02 . 2 . . 1 . 65 S HB3 . 17080 1
491 . 1 1 69 69 SER CA C 13 57.653 0.02 . 1 . . 1 . 65 S CA . 17080 1
492 . 1 1 69 69 SER CB C 13 62.967 0.02 . 1 . . 1 . 65 S CB . 17080 1
493 . 1 1 69 69 SER N N 15 111.444 0.02 . 1 . . 1 . 65 S N . 17080 1
494 . 1 1 70 70 MET HA H 1 3.896 0.02 . 1 . . 1 . 66 M HA . 17080 1
495 . 1 1 70 70 MET HB2 H 1 2.030 0.02 . 2 . . 1 . 66 M HB2 . 17080 1
496 . 1 1 70 70 MET HB3 H 1 2.030 0.02 . 2 . . 1 . 66 M HB3 . 17080 1
497 . 1 1 70 70 MET HE1 H 1 1.959 0.02 . 1 . . 1 . 66 M QE . 17080 1
498 . 1 1 70 70 MET HE2 H 1 1.959 0.02 . 1 . . 1 . 66 M QE . 17080 1
499 . 1 1 70 70 MET HE3 H 1 1.959 0.02 . 1 . . 1 . 66 M QE . 17080 1
500 . 1 1 70 70 MET C C 13 172.490 0.02 . 1 . . 1 . 66 M C . 17080 1
501 . 1 1 70 70 MET CA C 13 57.069 0.02 . 1 . . 1 . 66 M CA . 17080 1
502 . 1 1 70 70 MET CB C 13 32.191 0.02 . 1 . . 1 . 66 M CB . 17080 1
503 . 1 1 70 70 MET CE C 13 16.306 0.02 . 1 . . 1 . 66 M CE . 17080 1
504 . 1 1 71 71 ARG H H 1 7.973 0.02 . 1 . . 1 . 67 R H . 17080 1
505 . 1 1 71 71 ARG HA H 1 3.899 0.02 . 1 . . 1 . 67 R HA . 17080 1
506 . 1 1 71 71 ARG HB2 H 1 1.745 0.02 . 2 . . 1 . 67 R HB2 . 17080 1
507 . 1 1 71 71 ARG HB3 H 1 1.745 0.02 . 2 . . 1 . 67 R HB3 . 17080 1
508 . 1 1 71 71 ARG HD2 H 1 3.187 0.02 . 2 . . 1 . 67 R HD2 . 17080 1
509 . 1 1 71 71 ARG HD3 H 1 3.187 0.02 . 2 . . 1 . 67 R HD3 . 17080 1
510 . 1 1 71 71 ARG C C 13 174.274 0.02 . 1 . . 1 . 67 R C . 17080 1
511 . 1 1 71 71 ARG CA C 13 57.763 0.02 . 1 . . 1 . 67 R CA . 17080 1
512 . 1 1 71 71 ARG CB C 13 28.852 0.02 . 1 . . 1 . 67 R CB . 17080 1
513 . 1 1 71 71 ARG CD C 13 42.627 0.02 . 1 . . 1 . 67 R CD . 17080 1
514 . 1 1 71 71 ARG N N 15 117.871 0.02 . 1 . . 1 . 67 R N . 17080 1
515 . 1 1 72 72 ALA H H 1 7.426 0.02 . 1 . . 1 . 68 A H . 17080 1
516 . 1 1 72 72 ALA HA H 1 4.362 0.02 . 1 . . 1 . 68 A HA . 17080 1
517 . 1 1 72 72 ALA HB1 H 1 1.423 0.02 . 1 . . 1 . 68 A QB . 17080 1
518 . 1 1 72 72 ALA HB2 H 1 1.423 0.02 . 1 . . 1 . 68 A QB . 17080 1
519 . 1 1 72 72 ALA HB3 H 1 1.423 0.02 . 1 . . 1 . 68 A QB . 17080 1
520 . 1 1 72 72 ALA C C 13 174.365 0.02 . 1 . . 1 . 68 A C . 17080 1
521 . 1 1 72 72 ALA CA C 13 51.441 0.02 . 1 . . 1 . 68 A CA . 17080 1
522 . 1 1 72 72 ALA CB C 13 18.622 0.02 . 1 . . 1 . 68 A CB . 17080 1
523 . 1 1 72 72 ALA N N 15 119.519 0.02 . 1 . . 1 . 68 A N . 17080 1
524 . 1 1 73 73 LEU H H 1 7.071 0.02 . 1 . . 1 . 69 L H . 17080 1
525 . 1 1 73 73 LEU HA H 1 4.548 0.02 . 1 . . 1 . 69 L HA . 17080 1
526 . 1 1 73 73 LEU HB2 H 1 1.820 0.02 . 2 . . 1 . 69 L HB2 . 17080 1
527 . 1 1 73 73 LEU HB3 H 1 1.820 0.02 . 2 . . 1 . 69 L HB3 . 17080 1
528 . 1 1 73 73 LEU HD11 H 1 1.178 0.02 . 1 . . 1 . 69 L QD1 . 17080 1
529 . 1 1 73 73 LEU HD12 H 1 1.178 0.02 . 1 . . 1 . 69 L QD1 . 17080 1
530 . 1 1 73 73 LEU HD13 H 1 1.178 0.02 . 1 . . 1 . 69 L QD1 . 17080 1
531 . 1 1 73 73 LEU HD21 H 1 0.702 0.02 . 1 . . 1 . 69 L QD2 . 17080 1
532 . 1 1 73 73 LEU HD22 H 1 0.702 0.02 . 1 . . 1 . 69 L QD2 . 17080 1
533 . 1 1 73 73 LEU HD23 H 1 0.702 0.02 . 1 . . 1 . 69 L QD2 . 17080 1
534 . 1 1 73 73 LEU HG H 1 1.481 0.02 . 1 . . 1 . 69 L HG . 17080 1
535 . 1 1 73 73 LEU C C 13 174.062 0.02 . 1 . . 1 . 69 L C . 17080 1
536 . 1 1 73 73 LEU CA C 13 52.900 0.02 . 1 . . 1 . 69 L CA . 17080 1
537 . 1 1 73 73 LEU CB C 13 43.940 0.02 . 1 . . 1 . 69 L CB . 17080 1
538 . 1 1 73 73 LEU CD1 C 13 23.725 0.02 . 2 . . 1 . 69 L CD1 . 17080 1
539 . 1 1 73 73 LEU CD2 C 13 22.280 0.02 . 2 . . 1 . 69 L CD2 . 17080 1
540 . 1 1 73 73 LEU CG C 13 27.047 0.02 . 1 . . 1 . 69 L CG . 17080 1
541 . 1 1 73 73 LEU N N 15 118.800 0.02 . 1 . . 1 . 69 L N . 17080 1
542 . 1 1 74 74 ASP H H 1 8.291 0.02 . 1 . . 1 . 70 D H . 17080 1
543 . 1 1 74 74 ASP HA H 1 4.580 0.02 . 1 . . 1 . 70 D HA . 17080 1
544 . 1 1 74 74 ASP HB2 H 1 2.755 0.02 . 2 . . 1 . 70 D HB2 . 17080 1
545 . 1 1 74 74 ASP HB3 H 1 2.755 0.02 . 2 . . 1 . 70 D HB3 . 17080 1
546 . 1 1 74 74 ASP C C 13 172.821 0.02 . 1 . . 1 . 70 D C . 17080 1
547 . 1 1 74 74 ASP CA C 13 52.617 0.02 . 1 . . 1 . 70 D CA . 17080 1
548 . 1 1 74 74 ASP CB C 13 40.815 0.02 . 1 . . 1 . 70 D CB . 17080 1
549 . 1 1 74 74 ASP N N 15 120.710 0.02 . 1 . . 1 . 70 D N . 17080 1
550 . 1 1 75 75 PHE H H 1 8.043 0.02 . 1 . . 1 . 71 F H . 17080 1
551 . 1 1 75 75 PHE C C 13 174.843 0.02 . 1 . . 1 . 71 F C . 17080 1
552 . 1 1 75 75 PHE CA C 13 59.697 0.02 . 1 . . 1 . 71 F CA . 17080 1
553 . 1 1 75 75 PHE N N 15 125.584 0.02 . 1 . . 1 . 71 F N . 17080 1
554 . 1 1 76 76 ASN H H 1 8.600 0.02 . 1 . . 1 . 72 N H . 17080 1
555 . 1 1 76 76 ASN HA H 1 4.289 0.02 . 1 . . 1 . 72 N HA . 17080 1
556 . 1 1 76 76 ASN HB2 H 1 2.757 0.02 . 2 . . 1 . 72 N HB2 . 17080 1
557 . 1 1 76 76 ASN HB3 H 1 2.840 0.02 . 2 . . 1 . 72 N HB3 . 17080 1
558 . 1 1 76 76 ASN HD21 H 1 6.743 0.02 . 2 . . 1 . 72 N HD21 . 17080 1
559 . 1 1 76 76 ASN HD22 H 1 7.376 0.02 . 2 . . 1 . 72 N HD22 . 17080 1
560 . 1 1 76 76 ASN C C 13 175.546 0.02 . 1 . . 1 . 72 N C . 17080 1
561 . 1 1 76 76 ASN CA C 13 55.427 0.02 . 1 . . 1 . 72 N CA . 17080 1
562 . 1 1 76 76 ASN CB C 13 37.414 0.02 . 1 . . 1 . 72 N CB . 17080 1
563 . 1 1 76 76 ASN N N 15 117.425 0.02 . 1 . . 1 . 72 N N . 17080 1
564 . 1 1 76 76 ASN ND2 N 15 111.190 0.02 . 1 . . 1 . 72 N ND2 . 17080 1
565 . 1 1 77 77 THR H H 1 8.318 0.02 . 1 . . 1 . 73 T H . 17080 1
566 . 1 1 77 77 THR HA H 1 3.869 0.02 . 1 . . 1 . 73 T HA . 17080 1
567 . 1 1 77 77 THR HB H 1 4.066 0.02 . 1 . . 1 . 73 T HB . 17080 1
568 . 1 1 77 77 THR HG21 H 1 1.155 0.02 . 1 . . 1 . 73 T QG2 . 17080 1
569 . 1 1 77 77 THR HG22 H 1 1.155 0.02 . 1 . . 1 . 73 T QG2 . 17080 1
570 . 1 1 77 77 THR HG23 H 1 1.155 0.02 . 1 . . 1 . 73 T QG2 . 17080 1
571 . 1 1 77 77 THR C C 13 173.517 0.02 . 1 . . 1 . 73 T C . 17080 1
572 . 1 1 77 77 THR CA C 13 66.459 0.02 . 1 . . 1 . 73 T CA . 17080 1
573 . 1 1 77 77 THR CB C 13 66.661 0.02 . 1 . . 1 . 73 T CB . 17080 1
574 . 1 1 77 77 THR CG2 C 13 22.007 0.02 . 1 . . 1 . 73 T CG2 . 17080 1
575 . 1 1 77 77 THR N N 15 119.175 0.02 . 1 . . 1 . 73 T N . 17080 1
576 . 1 1 78 78 ARG H H 1 8.311 0.02 . 1 . . 1 . 74 R H . 17080 1
577 . 1 1 78 78 ARG HA H 1 3.339 0.02 . 1 . . 1 . 74 R HA . 17080 1
578 . 1 1 78 78 ARG HB2 H 1 1.638 0.02 . 2 . . 1 . 74 R HB2 . 17080 1
579 . 1 1 78 78 ARG HB3 H 1 1.638 0.02 . 2 . . 1 . 74 R HB3 . 17080 1
580 . 1 1 78 78 ARG HD2 H 1 3.000 0.02 . 2 . . 1 . 74 R HD2 . 17080 1
581 . 1 1 78 78 ARG HD3 H 1 3.000 0.02 . 2 . . 1 . 74 R HD3 . 17080 1
582 . 1 1 78 78 ARG CA C 13 60.181 0.02 . 1 . . 1 . 74 R CA . 17080 1
583 . 1 1 78 78 ARG CB C 13 28.288 0.02 . 1 . . 1 . 74 R CB . 17080 1
584 . 1 1 78 78 ARG CD C 13 41.006 0.02 . 1 . . 1 . 74 R CD . 17080 1
585 . 1 1 78 78 ARG N N 15 121.179 0.02 . 1 . . 1 . 74 R N . 17080 1
586 . 1 1 79 79 THR HA H 1 4.000 0.02 . 1 . . 1 . 75 T HA . 17080 1
587 . 1 1 79 79 THR HB H 1 4.158 0.02 . 1 . . 1 . 75 T HB . 17080 1
588 . 1 1 79 79 THR HG21 H 1 0.968 0.02 . 1 . . 1 . 75 T QG2 . 17080 1
589 . 1 1 79 79 THR HG22 H 1 0.968 0.02 . 1 . . 1 . 75 T QG2 . 17080 1
590 . 1 1 79 79 THR HG23 H 1 0.968 0.02 . 1 . . 1 . 75 T QG2 . 17080 1
591 . 1 1 79 79 THR C C 13 173.060 0.02 . 1 . . 1 . 75 T C . 17080 1
592 . 1 1 79 79 THR CA C 13 67.543 0.02 . 1 . . 1 . 75 T CA . 17080 1
593 . 1 1 79 79 THR CB C 13 69.238 0.02 . 1 . . 1 . 75 T CB . 17080 1
594 . 1 1 79 79 THR CG2 C 13 21.567 0.02 . 1 . . 1 . 75 T CG2 . 17080 1
595 . 1 1 80 80 GLN H H 1 7.822 0.02 . 1 . . 1 . 76 Q H . 17080 1
596 . 1 1 80 80 GLN HA H 1 3.998 0.02 . 1 . . 1 . 76 Q HA . 17080 1
597 . 1 1 80 80 GLN HB2 H 1 2.233 0.02 . 2 . . 1 . 76 Q HB2 . 17080 1
598 . 1 1 80 80 GLN HB3 H 1 2.233 0.02 . 2 . . 1 . 76 Q HB3 . 17080 1
599 . 1 1 80 80 GLN HE21 H 1 6.684 0.02 . 2 . . 1 . 76 Q HE21 . 17080 1
600 . 1 1 80 80 GLN HE22 H 1 7.319 0.02 . 2 . . 1 . 76 Q HE22 . 17080 1
601 . 1 1 80 80 GLN HG2 H 1 2.478 0.02 . 2 . . 1 . 76 Q HG2 . 17080 1
602 . 1 1 80 80 GLN HG3 H 1 2.478 0.02 . 2 . . 1 . 76 Q HG3 . 17080 1
603 . 1 1 80 80 GLN C C 13 175.607 0.02 . 1 . . 1 . 76 Q C . 17080 1
604 . 1 1 80 80 GLN CA C 13 58.055 0.02 . 1 . . 1 . 76 Q CA . 17080 1
605 . 1 1 80 80 GLN CB C 13 27.929 0.02 . 1 . . 1 . 76 Q CB . 17080 1
606 . 1 1 80 80 GLN CG C 13 33.583 0.02 . 1 . . 1 . 76 Q CG . 17080 1
607 . 1 1 80 80 GLN N N 15 124.514 0.02 . 1 . . 1 . 76 Q N . 17080 1
608 . 1 1 80 80 GLN NE2 N 15 113.100 0.02 . 1 . . 1 . 76 Q NE2 . 17080 1
609 . 1 1 81 81 VAL H H 1 8.251 0.02 . 1 . . 1 . 77 V H . 17080 1
610 . 1 1 81 81 VAL HA H 1 3.476 0.02 . 1 . . 1 . 77 V HA . 17080 1
611 . 1 1 81 81 VAL HB H 1 2.258 0.02 . 1 . . 1 . 77 V HB . 17080 1
612 . 1 1 81 81 VAL HG11 H 1 0.946 0.02 . 1 . . 1 . 77 V QG1 . 17080 1
613 . 1 1 81 81 VAL HG12 H 1 0.946 0.02 . 1 . . 1 . 77 V QG1 . 17080 1
614 . 1 1 81 81 VAL HG13 H 1 0.946 0.02 . 1 . . 1 . 77 V QG1 . 17080 1
615 . 1 1 81 81 VAL HG21 H 1 0.784 0.02 . 1 . . 1 . 77 V QG2 . 17080 1
616 . 1 1 81 81 VAL HG22 H 1 0.784 0.02 . 1 . . 1 . 77 V QG2 . 17080 1
617 . 1 1 81 81 VAL HG23 H 1 0.784 0.02 . 1 . . 1 . 77 V QG2 . 17080 1
618 . 1 1 81 81 VAL C C 13 174.789 0.02 . 1 . . 1 . 77 V C . 17080 1
619 . 1 1 81 81 VAL CA C 13 66.459 0.02 . 1 . . 1 . 77 V CA . 17080 1
620 . 1 1 81 81 VAL CB C 13 30.554 0.02 . 1 . . 1 . 77 V CB . 17080 1
621 . 1 1 81 81 VAL CG1 C 13 23.704 0.02 . 2 . . 1 . 77 V CG1 . 17080 1
622 . 1 1 81 81 VAL CG2 C 13 20.282 0.02 . 2 . . 1 . 77 V CG2 . 17080 1
623 . 1 1 81 81 VAL N N 15 119.911 0.02 . 1 . . 1 . 77 V N . 17080 1
624 . 1 1 82 82 THR H H 1 7.512 0.02 . 1 . . 1 . 78 T H . 17080 1
625 . 1 1 82 82 THR HA H 1 3.953 0.02 . 1 . . 1 . 78 T HA . 17080 1
626 . 1 1 82 82 THR HB H 1 4.066 0.02 . 1 . . 1 . 78 T HB . 17080 1
627 . 1 1 82 82 THR HG21 H 1 1.265 0.02 . 1 . . 1 . 78 T QG2 . 17080 1
628 . 1 1 82 82 THR HG22 H 1 1.265 0.02 . 1 . . 1 . 78 T QG2 . 17080 1
629 . 1 1 82 82 THR HG23 H 1 1.265 0.02 . 1 . . 1 . 78 T QG2 . 17080 1
630 . 1 1 82 82 THR C C 13 174.062 0.02 . 1 . . 1 . 78 T C . 17080 1
631 . 1 1 82 82 THR CA C 13 65.504 0.02 . 1 . . 1 . 78 T CA . 17080 1
632 . 1 1 82 82 THR CB C 13 67.193 0.02 . 1 . . 1 . 78 T CB . 17080 1
633 . 1 1 82 82 THR CG2 C 13 22.526 0.02 . 1 . . 1 . 78 T CG2 . 17080 1
634 . 1 1 82 82 THR N N 15 108.585 0.02 . 1 . . 1 . 78 T N . 17080 1
635 . 1 1 83 83 ARG H H 1 7.738 0.02 . 1 . . 1 . 79 R H . 17080 1
636 . 1 1 83 83 ARG HA H 1 3.954 0.02 . 1 . . 1 . 79 R HA . 17080 1
637 . 1 1 83 83 ARG HB2 H 1 1.880 0.02 . 2 . . 1 . 79 R HB2 . 17080 1
638 . 1 1 83 83 ARG HB3 H 1 1.880 0.02 . 2 . . 1 . 79 R HB3 . 17080 1
639 . 1 1 83 83 ARG HD2 H 1 3.142 0.02 . 2 . . 1 . 79 R HD2 . 17080 1
640 . 1 1 83 83 ARG HD3 H 1 3.142 0.02 . 2 . . 1 . 79 R HD3 . 17080 1
641 . 1 1 83 83 ARG C C 13 177.062 0.02 . 1 . . 1 . 79 R C . 17080 1
642 . 1 1 83 83 ARG CA C 13 59.051 0.02 . 1 . . 1 . 79 R CA . 17080 1
643 . 1 1 83 83 ARG CB C 13 29.414 0.02 . 1 . . 1 . 79 R CB . 17080 1
644 . 1 1 83 83 ARG CD C 13 42.601 0.02 . 1 . . 1 . 79 R CD . 17080 1
645 . 1 1 83 83 ARG N N 15 120.957 0.02 . 1 . . 1 . 79 R N . 17080 1
646 . 1 1 84 84 GLU H H 1 8.519 0.02 . 1 . . 1 . 80 E H . 17080 1
647 . 1 1 84 84 GLU HA H 1 4.000 0.02 . 1 . . 1 . 80 E HA . 17080 1
648 . 1 1 84 84 GLU HB2 H 1 1.907 0.02 . 2 . . 1 . 80 E HB2 . 17080 1
649 . 1 1 84 84 GLU HB3 H 1 1.907 0.02 . 2 . . 1 . 80 E HB3 . 17080 1
650 . 1 1 84 84 GLU HG2 H 1 2.283 0.02 . 2 . . 1 . 80 E HG2 . 17080 1
651 . 1 1 84 84 GLU HG3 H 1 2.283 0.02 . 2 . . 1 . 80 E HG3 . 17080 1
652 . 1 1 84 84 GLU C C 13 176.061 0.02 . 1 . . 1 . 80 E C . 17080 1
653 . 1 1 84 84 GLU CA C 13 58.237 0.02 . 1 . . 1 . 80 E CA . 17080 1
654 . 1 1 84 84 GLU CB C 13 28.239 0.02 . 1 . . 1 . 80 E CB . 17080 1
655 . 1 1 84 84 GLU CG C 13 35.672 0.02 . 1 . . 1 . 80 E CG . 17080 1
656 . 1 1 84 84 GLU N N 15 120.700 0.02 . 1 . . 1 . 80 E N . 17080 1
657 . 1 1 85 85 ALA H H 1 8.207 0.02 . 1 . . 1 . 81 A H . 17080 1
658 . 1 1 85 85 ALA HA H 1 3.907 0.02 . 1 . . 1 . 81 A HA . 17080 1
659 . 1 1 85 85 ALA HB1 H 1 1.388 0.02 . 1 . . 1 . 81 A QB . 17080 1
660 . 1 1 85 85 ALA HB2 H 1 1.388 0.02 . 1 . . 1 . 81 A QB . 17080 1
661 . 1 1 85 85 ALA HB3 H 1 1.388 0.02 . 1 . . 1 . 81 A QB . 17080 1
662 . 1 1 85 85 ALA C C 13 176.000 0.02 . 1 . . 1 . 81 A C . 17080 1
663 . 1 1 85 85 ALA CA C 13 55.469 0.02 . 1 . . 1 . 81 A CA . 17080 1
664 . 1 1 85 85 ALA CB C 13 18.191 0.02 . 1 . . 1 . 81 A CB . 17080 1
665 . 1 1 85 85 ALA N N 15 122.713 0.02 . 1 . . 1 . 81 A N . 17080 1
666 . 1 1 86 86 ILE H H 1 7.811 0.02 . 1 . . 1 . 82 I H . 17080 1
667 . 1 1 86 86 ILE HA H 1 3.326 0.02 . 1 . . 1 . 82 I HA . 17080 1
668 . 1 1 86 86 ILE HB H 1 1.822 0.02 . 1 . . 1 . 82 I HB . 17080 1
669 . 1 1 86 86 ILE HD11 H 1 0.771 0.02 . 1 . . 1 . 82 I QD1 . 17080 1
670 . 1 1 86 86 ILE HD12 H 1 0.771 0.02 . 1 . . 1 . 82 I QD1 . 17080 1
671 . 1 1 86 86 ILE HD13 H 1 0.771 0.02 . 1 . . 1 . 82 I QD1 . 17080 1
672 . 1 1 86 86 ILE HG12 H 1 1.910 0.02 . 2 . . 1 . 82 I HG12 . 17080 1
673 . 1 1 86 86 ILE HG13 H 1 1.910 0.02 . 2 . . 1 . 82 I HG13 . 17080 1
674 . 1 1 86 86 ILE HG21 H 1 0.409 0.02 . 1 . . 1 . 82 I QG2 . 17080 1
675 . 1 1 86 86 ILE HG22 H 1 0.409 0.02 . 1 . . 1 . 82 I QG2 . 17080 1
676 . 1 1 86 86 ILE HG23 H 1 0.409 0.02 . 1 . . 1 . 82 I QG2 . 17080 1
677 . 1 1 86 86 ILE C C 13 175.092 0.02 . 1 . . 1 . 82 I C . 17080 1
678 . 1 1 86 86 ILE CA C 13 65.320 0.02 . 1 . . 1 . 82 I CA . 17080 1
679 . 1 1 86 86 ILE CB C 13 38.214 0.02 . 1 . . 1 . 82 I CB . 17080 1
680 . 1 1 86 86 ILE CD1 C 13 13.460 0.02 . 1 . . 1 . 82 I CD1 . 17080 1
681 . 1 1 86 86 ILE CG1 C 13 29.580 0.02 . 1 . . 1 . 82 I CG1 . 17080 1
682 . 1 1 86 86 ILE CG2 C 13 17.459 0.02 . 1 . . 1 . 82 I CG2 . 17080 1
683 . 1 1 86 86 ILE N N 15 115.829 0.02 . 1 . . 1 . 82 I N . 17080 1
684 . 1 1 87 87 SER H H 1 7.578 0.02 . 1 . . 1 . 83 S H . 17080 1
685 . 1 1 87 87 SER HA H 1 3.920 0.02 . 1 . . 1 . 83 S HA . 17080 1
686 . 1 1 87 87 SER HB2 H 1 3.200 0.02 . 2 . . 1 . 83 S HB2 . 17080 1
687 . 1 1 87 87 SER HB3 H 1 3.200 0.02 . 2 . . 1 . 83 S HB3 . 17080 1
688 . 1 1 87 87 SER C C 13 172.714 0.02 . 1 . . 1 . 83 S C . 17080 1
689 . 1 1 87 87 SER CA C 13 61.890 0.02 . 1 . . 1 . 83 S CA . 17080 1
690 . 1 1 87 87 SER CB C 13 62.850 0.02 . 1 . . 1 . 83 S CB . 17080 1
691 . 1 1 87 87 SER N N 15 114.217 0.02 . 1 . . 1 . 83 S N . 17080 1
692 . 1 1 88 88 LEU H H 1 8.207 0.02 . 1 . . 1 . 84 L H . 17080 1
693 . 1 1 88 88 LEU HA H 1 3.998 0.02 . 1 . . 1 . 84 L HA . 17080 1
694 . 1 1 88 88 LEU HB2 H 1 1.866 0.02 . 2 . . 1 . 84 L HB2 . 17080 1
695 . 1 1 88 88 LEU HB3 H 1 1.458 0.02 . 2 . . 1 . 84 L HB3 . 17080 1
696 . 1 1 88 88 LEU HD11 H 1 0.832 0.02 . 1 . . 1 . 84 L QD1 . 17080 1
697 . 1 1 88 88 LEU HD12 H 1 0.832 0.02 . 1 . . 1 . 84 L QD1 . 17080 1
698 . 1 1 88 88 LEU HD13 H 1 0.832 0.02 . 1 . . 1 . 84 L QD1 . 17080 1
699 . 1 1 88 88 LEU HD21 H 1 0.874 0.02 . 1 . . 1 . 84 L QD2 . 17080 1
700 . 1 1 88 88 LEU HD22 H 1 0.874 0.02 . 1 . . 1 . 84 L QD2 . 17080 1
701 . 1 1 88 88 LEU HD23 H 1 0.874 0.02 . 1 . . 1 . 84 L QD2 . 17080 1
702 . 1 1 88 88 LEU HG H 1 1.737 0.02 . 1 . . 1 . 84 L HG . 17080 1
703 . 1 1 88 88 LEU C C 13 178.150 0.02 . 1 . . 1 . 84 L C . 17080 1
704 . 1 1 88 88 LEU CA C 13 57.707 0.02 . 1 . . 1 . 84 L CA . 17080 1
705 . 1 1 88 88 LEU CB C 13 41.933 0.02 . 1 . . 1 . 84 L CB . 17080 1
706 . 1 1 88 88 LEU CD1 C 13 23.400 0.02 . 2 . . 1 . 84 L CD1 . 17080 1
707 . 1 1 88 88 LEU CD2 C 13 25.427 0.02 . 2 . . 1 . 84 L CD2 . 17080 1
708 . 1 1 88 88 LEU CG C 13 26.569 0.02 . 1 . . 1 . 84 L CG . 17080 1
709 . 1 1 88 88 LEU N N 15 121.190 0.02 . 1 . . 1 . 84 L N . 17080 1
710 . 1 1 89 89 VAL H H 1 7.715 0.02 . 1 . . 1 . 85 V H . 17080 1
711 . 1 1 89 89 VAL HA H 1 3.953 0.02 . 1 . . 1 . 85 V HA . 17080 1
712 . 1 1 89 89 VAL HB H 1 2.258 0.02 . 1 . . 1 . 85 V HB . 17080 1
713 . 1 1 89 89 VAL HG11 H 1 0.700 0.02 . 1 . . 1 . 85 V QG1 . 17080 1
714 . 1 1 89 89 VAL HG12 H 1 0.700 0.02 . 1 . . 1 . 85 V QG1 . 17080 1
715 . 1 1 89 89 VAL HG13 H 1 0.700 0.02 . 1 . . 1 . 85 V QG1 . 17080 1
716 . 1 1 89 89 VAL HG21 H 1 0.851 0.02 . 1 . . 1 . 85 V QG2 . 17080 1
717 . 1 1 89 89 VAL HG22 H 1 0.851 0.02 . 1 . . 1 . 85 V QG2 . 17080 1
718 . 1 1 89 89 VAL HG23 H 1 0.851 0.02 . 1 . . 1 . 85 V QG2 . 17080 1
719 . 1 1 89 89 VAL C C 13 175.607 0.02 . 1 . . 1 . 85 V C . 17080 1
720 . 1 1 89 89 VAL CA C 13 65.325 0.02 . 1 . . 1 . 85 V CA . 17080 1
721 . 1 1 89 89 VAL CB C 13 30.819 0.02 . 1 . . 1 . 85 V CB . 17080 1
722 . 1 1 89 89 VAL CG1 C 13 21.339 0.02 . 2 . . 1 . 85 V CG1 . 17080 1
723 . 1 1 89 89 VAL CG2 C 13 20.872 0.02 . 2 . . 1 . 85 V CG2 . 17080 1
724 . 1 1 89 89 VAL N N 15 115.065 0.02 . 1 . . 1 . 85 V N . 17080 1
725 . 1 1 90 90 CYS H H 1 8.007 0.02 . 1 . . 1 . 86 C H . 17080 1
726 . 1 1 90 90 CYS HA H 1 4.015 0.02 . 1 . . 1 . 86 C HA . 17080 1
727 . 1 1 90 90 CYS HB2 H 1 2.790 0.02 . 2 . . 1 . 86 C HB2 . 17080 1
728 . 1 1 90 90 CYS HB3 H 1 2.500 0.02 . 2 . . 1 . 86 C HB3 . 17080 1
729 . 1 1 90 90 CYS C C 13 173.547 0.02 . 1 . . 1 . 86 C C . 17080 1
730 . 1 1 90 90 CYS CA C 13 63.041 0.02 . 1 . . 1 . 86 C CA . 17080 1
731 . 1 1 90 90 CYS CB C 13 26.006 0.02 . 1 . . 1 . 86 C CB . 17080 1
732 . 1 1 90 90 CYS N N 15 117.778 0.02 . 1 . . 1 . 86 C N . 17080 1
733 . 1 1 91 91 GLU H H 1 7.512 0.02 . 1 . . 1 . 87 E H . 17080 1
734 . 1 1 91 91 GLU HA H 1 4.175 0.02 . 1 . . 1 . 87 E HA . 17080 1
735 . 1 1 91 91 GLU HB2 H 1 2.050 0.02 . 2 . . 1 . 87 E HB2 . 17080 1
736 . 1 1 91 91 GLU HB3 H 1 2.050 0.02 . 2 . . 1 . 87 E HB3 . 17080 1
737 . 1 1 91 91 GLU HG2 H 1 2.334 0.02 . 2 . . 1 . 87 E HG2 . 17080 1
738 . 1 1 91 91 GLU HG3 H 1 2.368 0.02 . 2 . . 1 . 87 E HG3 . 17080 1
739 . 1 1 91 91 GLU C C 13 174.153 0.02 . 1 . . 1 . 87 E C . 17080 1
740 . 1 1 91 91 GLU CA C 13 57.033 0.02 . 1 . . 1 . 87 E CA . 17080 1
741 . 1 1 91 91 GLU CB C 13 29.411 0.02 . 1 . . 1 . 87 E CB . 17080 1
742 . 1 1 91 91 GLU CG C 13 35.692 0.02 . 1 . . 1 . 87 E CG . 17080 1
743 . 1 1 91 91 GLU N N 15 116.744 0.02 . 1 . . 1 . 87 E N . 17080 1
744 . 1 1 92 92 ALA H H 1 7.337 0.02 . 1 . . 1 . 88 A H . 17080 1
745 . 1 1 92 92 ALA HA H 1 4.400 0.02 . 1 . . 1 . 88 A HA . 17080 1
746 . 1 1 92 92 ALA HB1 H 1 1.470 0.02 . 1 . . 1 . 88 A QB . 17080 1
747 . 1 1 92 92 ALA HB2 H 1 1.470 0.02 . 1 . . 1 . 88 A QB . 17080 1
748 . 1 1 92 92 ALA HB3 H 1 1.470 0.02 . 1 . . 1 . 88 A QB . 17080 1
749 . 1 1 92 92 ALA C C 13 174.940 0.02 . 1 . . 1 . 88 A C . 17080 1
750 . 1 1 92 92 ALA CA C 13 52.199 0.02 . 1 . . 1 . 88 A CA . 17080 1
751 . 1 1 92 92 ALA CB C 13 20.874 0.02 . 1 . . 1 . 88 A CB . 17080 1
752 . 1 1 92 92 ALA N N 15 120.122 0.02 . 1 . . 1 . 88 A N . 17080 1
753 . 1 1 93 93 VAL H H 1 7.643 0.02 . 1 . . 1 . 89 V H . 17080 1
754 . 1 1 93 93 VAL HA H 1 4.345 0.02 . 1 . . 1 . 89 V HA . 17080 1
755 . 1 1 93 93 VAL HB H 1 2.060 0.02 . 1 . . 1 . 89 V HB . 17080 1
756 . 1 1 93 93 VAL HG11 H 1 0.933 0.02 . 1 . . 1 . 89 V QG1 . 17080 1
757 . 1 1 93 93 VAL HG12 H 1 0.933 0.02 . 1 . . 1 . 89 V QG1 . 17080 1
758 . 1 1 93 93 VAL HG13 H 1 0.933 0.02 . 1 . . 1 . 89 V QG1 . 17080 1
759 . 1 1 93 93 VAL HG21 H 1 1.060 0.02 . 1 . . 1 . 89 V QG2 . 17080 1
760 . 1 1 93 93 VAL HG22 H 1 1.060 0.02 . 1 . . 1 . 89 V QG2 . 17080 1
761 . 1 1 93 93 VAL HG23 H 1 1.060 0.02 . 1 . . 1 . 89 V QG2 . 17080 1
762 . 1 1 93 93 VAL C C 13 171.468 0.02 . 1 . . 1 . 89 V C . 17080 1
763 . 1 1 93 93 VAL CA C 13 59.628 0.02 . 1 . . 1 . 89 V CA . 17080 1
764 . 1 1 93 93 VAL CB C 13 32.990 0.02 . 1 . . 1 . 89 V CB . 17080 1
765 . 1 1 93 93 VAL CG1 C 13 20.311 0.02 . 2 . . 1 . 89 V CG1 . 17080 1
766 . 1 1 93 93 VAL CG2 C 13 21.671 0.02 . 2 . . 1 . 89 V CG2 . 17080 1
767 . 1 1 93 93 VAL N N 15 120.560 0.02 . 1 . . 1 . 89 V N . 17080 1
768 . 1 1 94 94 PRO HA H 1 4.310 0.02 . 1 . . 1 . 90 P HA . 17080 1
769 . 1 1 94 94 PRO HB2 H 1 1.940 0.02 . 2 . . 1 . 90 P HB2 . 17080 1
770 . 1 1 94 94 PRO HB3 H 1 2.299 0.02 . 2 . . 1 . 90 P HB3 . 17080 1
771 . 1 1 94 94 PRO HD2 H 1 3.820 0.02 . 2 . . 1 . 90 P HD2 . 17080 1
772 . 1 1 94 94 PRO HD3 H 1 3.643 0.02 . 2 . . 1 . 90 P HD3 . 17080 1
773 . 1 1 94 94 PRO HG2 H 1 2.000 0.02 . 2 . . 1 . 90 P HG2 . 17080 1
774 . 1 1 94 94 PRO HG3 H 1 2.120 0.02 . 2 . . 1 . 90 P HG3 . 17080 1
775 . 1 1 94 94 PRO C C 13 175.455 0.02 . 1 . . 1 . 90 P C . 17080 1
776 . 1 1 94 94 PRO CA C 13 63.239 0.02 . 1 . . 1 . 90 P CA . 17080 1
777 . 1 1 94 94 PRO CB C 13 31.980 0.02 . 1 . . 1 . 90 P CB . 17080 1
778 . 1 1 94 94 PRO CD C 13 49.936 0.02 . 1 . . 1 . 90 P CD . 17080 1
779 . 1 1 94 94 PRO CG C 13 27.460 0.02 . 1 . . 1 . 90 P CG . 17080 1
780 . 1 1 95 95 GLY H H 1 8.560 0.02 . 1 . . 1 . 91 G H . 17080 1
781 . 1 1 95 95 GLY HA2 H 1 3.890 0.02 . 2 . . 1 . 91 G HA2 . 17080 1
782 . 1 1 95 95 GLY HA3 H 1 4.060 0.02 . 2 . . 1 . 91 G HA3 . 17080 1
783 . 1 1 95 95 GLY C C 13 172.488 0.02 . 1 . . 1 . 91 G C . 17080 1
784 . 1 1 95 95 GLY CA C 13 44.808 0.02 . 1 . . 1 . 91 G CA . 17080 1
785 . 1 1 95 95 GLY N N 15 110.103 0.02 . 1 . . 1 . 91 G N . 17080 1
786 . 1 1 96 96 ALA H H 1 8.069 0.02 . 1 . . 1 . 92 A H . 17080 1
787 . 1 1 96 96 ALA HA H 1 4.330 0.02 . 1 . . 1 . 92 A HA . 17080 1
788 . 1 1 96 96 ALA HB1 H 1 1.530 0.02 . 1 . . 1 . 92 A QB . 17080 1
789 . 1 1 96 96 ALA HB2 H 1 1.530 0.02 . 1 . . 1 . 92 A QB . 17080 1
790 . 1 1 96 96 ALA HB3 H 1 1.530 0.02 . 1 . . 1 . 92 A QB . 17080 1
791 . 1 1 96 96 ALA C C 13 176.243 0.02 . 1 . . 1 . 92 A C . 17080 1
792 . 1 1 96 96 ALA CA C 13 52.690 0.02 . 1 . . 1 . 92 A CA . 17080 1
793 . 1 1 96 96 ALA CB C 13 18.592 0.02 . 1 . . 1 . 92 A CB . 17080 1
794 . 1 1 96 96 ALA N N 15 124.210 0.02 . 1 . . 1 . 92 A N . 17080 1
795 . 1 1 97 97 LYS H H 1 8.709 0.02 . 1 . . 1 . 93 K H . 17080 1
796 . 1 1 97 97 LYS HA H 1 4.220 0.02 . 1 . . 1 . 93 K HA . 17080 1
797 . 1 1 97 97 LYS HB2 H 1 1.810 0.02 . 2 . . 1 . 93 K HB2 . 17080 1
798 . 1 1 97 97 LYS HB3 H 1 1.920 0.02 . 2 . . 1 . 93 K HB3 . 17080 1
799 . 1 1 97 97 LYS HE2 H 1 3.010 0.02 . 2 . . 1 . 93 K HE2 . 17080 1
800 . 1 1 97 97 LYS HE3 H 1 3.010 0.02 . 2 . . 1 . 93 K HE3 . 17080 1
801 . 1 1 97 97 LYS HG2 H 1 1.486 0.02 . 2 . . 1 . 93 K HG2 . 17080 1
802 . 1 1 97 97 LYS HG3 H 1 1.486 0.02 . 2 . . 1 . 93 K HG3 . 17080 1
803 . 1 1 97 97 LYS C C 13 175.788 0.02 . 1 . . 1 . 93 K C . 17080 1
804 . 1 1 97 97 LYS CA C 13 57.215 0.02 . 1 . . 1 . 93 K CA . 17080 1
805 . 1 1 97 97 LYS CB C 13 31.681 0.02 . 1 . . 1 . 93 K CB . 17080 1
806 . 1 1 97 97 LYS CE C 13 41.364 0.02 . 1 . . 1 . 93 K CE . 17080 1
807 . 1 1 97 97 LYS CG C 13 25.100 0.02 . 1 . . 1 . 93 K CG . 17080 1
808 . 1 1 97 97 LYS N N 15 122.363 0.02 . 1 . . 1 . 93 K N . 17080 1
809 . 1 1 98 98 GLY H H 1 8.589 0.02 . 1 . . 1 . 94 G H . 17080 1
810 . 1 1 98 98 GLY HA2 H 1 3.990 0.02 . 2 . . 1 . 94 G HA2 . 17080 1
811 . 1 1 98 98 GLY HA3 H 1 3.990 0.02 . 2 . . 1 . 94 G HA3 . 17080 1
812 . 1 1 98 98 GLY C C 13 171.549 0.02 . 1 . . 1 . 94 G C . 17080 1
813 . 1 1 98 98 GLY CA C 13 45.173 0.02 . 1 . . 1 . 94 G CA . 17080 1
814 . 1 1 98 98 GLY N N 15 106.755 0.02 . 1 . . 1 . 94 G N . 17080 1
815 . 1 1 99 99 ALA H H 1 7.782 0.02 . 1 . . 1 . 95 A H . 17080 1
816 . 1 1 99 99 ALA HA H 1 4.370 0.02 . 1 . . 1 . 95 A HA . 17080 1
817 . 1 1 99 99 ALA HB1 H 1 1.470 0.02 . 1 . . 1 . 95 A QB . 17080 1
818 . 1 1 99 99 ALA HB2 H 1 1.470 0.02 . 1 . . 1 . 95 A QB . 17080 1
819 . 1 1 99 99 ALA HB3 H 1 1.470 0.02 . 1 . . 1 . 95 A QB . 17080 1
820 . 1 1 99 99 ALA C C 13 175.728 0.02 . 1 . . 1 . 95 A C . 17080 1
821 . 1 1 99 99 ALA CA C 13 52.508 0.02 . 1 . . 1 . 95 A CA . 17080 1
822 . 1 1 99 99 ALA CB C 13 19.154 0.02 . 1 . . 1 . 95 A CB . 17080 1
823 . 1 1 99 99 ALA N N 15 122.784 0.02 . 1 . . 1 . 95 A N . 17080 1
824 . 1 1 100 100 THR H H 1 8.111 0.02 . 1 . . 1 . 96 T H . 17080 1
825 . 1 1 100 100 THR HA H 1 4.340 0.02 . 1 . . 1 . 96 T HA . 17080 1
826 . 1 1 100 100 THR HB H 1 4.297 0.02 . 1 . . 1 . 96 T HB . 17080 1
827 . 1 1 100 100 THR HG21 H 1 1.215 0.02 . 1 . . 1 . 96 T QG2 . 17080 1
828 . 1 1 100 100 THR HG22 H 1 1.215 0.02 . 1 . . 1 . 96 T QG2 . 17080 1
829 . 1 1 100 100 THR HG23 H 1 1.215 0.02 . 1 . . 1 . 96 T QG2 . 17080 1
830 . 1 1 100 100 THR C C 13 172.094 0.02 . 1 . . 1 . 96 T C . 17080 1
831 . 1 1 100 100 THR CA C 13 61.546 0.02 . 1 . . 1 . 96 T CA . 17080 1
832 . 1 1 100 100 THR CB C 13 69.580 0.02 . 1 . . 1 . 96 T CB . 17080 1
833 . 1 1 100 100 THR CG2 C 13 21.193 0.02 . 1 . . 1 . 96 T CG2 . 17080 1
834 . 1 1 100 100 THR N N 15 111.717 0.02 . 1 . . 1 . 96 T N . 17080 1
835 . 1 1 101 101 ARG H H 1 7.967 0.02 . 1 . . 1 . 97 R H . 17080 1
836 . 1 1 101 101 ARG HA H 1 4.290 0.02 . 1 . . 1 . 97 R HA . 17080 1
837 . 1 1 101 101 ARG HB2 H 1 1.770 0.02 . 2 . . 1 . 97 R HB2 . 17080 1
838 . 1 1 101 101 ARG HB3 H 1 1.770 0.02 . 2 . . 1 . 97 R HB3 . 17080 1
839 . 1 1 101 101 ARG HD2 H 1 3.192 0.02 . 2 . . 1 . 97 R HD2 . 17080 1
840 . 1 1 101 101 ARG HD3 H 1 3.192 0.02 . 2 . . 1 . 97 R HD3 . 17080 1
841 . 1 1 101 101 ARG HG2 H 1 1.610 0.02 . 2 . . 1 . 97 R HG2 . 17080 1
842 . 1 1 101 101 ARG HG3 H 1 1.610 0.02 . 2 . . 1 . 97 R HG3 . 17080 1
843 . 1 1 101 101 ARG C C 13 173.396 0.02 . 1 . . 1 . 97 R C . 17080 1
844 . 1 1 101 101 ARG CA C 13 55.590 0.02 . 1 . . 1 . 97 R CA . 17080 1
845 . 1 1 101 101 ARG CB C 13 30.147 0.02 . 1 . . 1 . 97 R CB . 17080 1
846 . 1 1 101 101 ARG CD C 13 42.937 0.02 . 1 . . 1 . 97 R CD . 17080 1
847 . 1 1 101 101 ARG CG C 13 27.120 0.02 . 1 . . 1 . 97 R CG . 17080 1
848 . 1 1 101 101 ARG N N 15 121.974 0.02 . 1 . . 1 . 97 R N . 17080 1
849 . 1 1 102 102 ARG H H 1 8.295 0.02 . 1 . . 1 . 98 R H . 17080 1
850 . 1 1 102 102 ARG HA H 1 4.290 0.02 . 1 . . 1 . 98 R HA . 17080 1
851 . 1 1 102 102 ARG HB2 H 1 1.750 0.02 . 2 . . 1 . 98 R HB2 . 17080 1
852 . 1 1 102 102 ARG HB3 H 1 1.750 0.02 . 2 . . 1 . 98 R HB3 . 17080 1
853 . 1 1 102 102 ARG HD2 H 1 3.600 0.02 . 2 . . 1 . 98 R HD2 . 17080 1
854 . 1 1 102 102 ARG HD3 H 1 3.600 0.02 . 2 . . 1 . 98 R HD3 . 17080 1
855 . 1 1 102 102 ARG HG2 H 1 1.600 0.02 . 2 . . 1 . 98 R HG2 . 17080 1
856 . 1 1 102 102 ARG HG3 H 1 1.600 0.02 . 2 . . 1 . 98 R HG3 . 17080 1
857 . 1 1 102 102 ARG C C 13 173.578 0.02 . 1 . . 1 . 98 R C . 17080 1
858 . 1 1 102 102 ARG CA C 13 55.590 0.02 . 1 . . 1 . 98 R CA . 17080 1
859 . 1 1 102 102 ARG CB C 13 30.683 0.02 . 1 . . 1 . 98 R CB . 17080 1
860 . 1 1 102 102 ARG CD C 13 43.041 0.02 . 1 . . 1 . 98 R CD . 17080 1
861 . 1 1 102 102 ARG CG C 13 27.120 0.02 . 1 . . 1 . 98 R CG . 17080 1
862 . 1 1 102 102 ARG N N 15 122.468 0.02 . 1 . . 1 . 98 R N . 17080 1
863 . 1 1 103 103 ARG H H 1 8.391 0.02 . 1 . . 1 . 99 R H . 17080 1
864 . 1 1 103 103 ARG HA H 1 4.329 0.02 . 1 . . 1 . 99 R HA . 17080 1
865 . 1 1 103 103 ARG HB2 H 1 1.801 0.02 . 2 . . 1 . 99 R HB2 . 17080 1
866 . 1 1 103 103 ARG HB3 H 1 1.801 0.02 . 2 . . 1 . 99 R HB3 . 17080 1
867 . 1 1 103 103 ARG HD2 H 1 3.126 0.02 . 2 . . 1 . 99 R HD2 . 17080 1
868 . 1 1 103 103 ARG HD3 H 1 3.126 0.02 . 2 . . 1 . 99 R HD3 . 17080 1
869 . 1 1 103 103 ARG HG2 H 1 1.620 0.02 . 2 . . 1 . 99 R HG2 . 17080 1
870 . 1 1 103 103 ARG HG3 H 1 1.620 0.02 . 2 . . 1 . 99 R HG3 . 17080 1
871 . 1 1 103 103 ARG C C 13 173.517 0.02 . 1 . . 1 . 99 R C . 17080 1
872 . 1 1 103 103 ARG CA C 13 55.427 0.02 . 1 . . 1 . 99 R CA . 17080 1
873 . 1 1 103 103 ARG CB C 13 30.744 0.02 . 1 . . 1 . 99 R CB . 17080 1
874 . 1 1 103 103 ARG CD C 13 43.040 0.02 . 1 . . 1 . 99 R CD . 17080 1
875 . 1 1 103 103 ARG CG C 13 26.760 0.02 . 1 . . 1 . 99 R CG . 17080 1
876 . 1 1 103 103 ARG N N 15 123.419 0.02 . 1 . . 1 . 99 R N . 17080 1
877 . 1 1 104 104 LYS H H 1 8.392 0.02 . 1 . . 1 . 100 K H . 17080 1
878 . 1 1 104 104 LYS HA H 1 4.576 0.02 . 1 . . 1 . 100 K HA . 17080 1
879 . 1 1 104 104 LYS HB2 H 1 1.820 0.02 . 2 . . 1 . 100 K HB2 . 17080 1
880 . 1 1 104 104 LYS HB3 H 1 1.697 0.02 . 2 . . 1 . 100 K HB3 . 17080 1
881 . 1 1 104 104 LYS HD2 H 1 1.570 0.02 . 2 . . 1 . 100 K HD2 . 17080 1
882 . 1 1 104 104 LYS HD3 H 1 1.570 0.02 . 2 . . 1 . 100 K HD3 . 17080 1
883 . 1 1 104 104 LYS HE2 H 1 3.658 0.02 . 2 . . 1 . 100 K HE2 . 17080 1
884 . 1 1 104 104 LYS HE3 H 1 3.658 0.02 . 2 . . 1 . 100 K HE3 . 17080 1
885 . 1 1 104 104 LYS HG2 H 1 1.480 0.02 . 2 . . 1 . 100 K HG2 . 17080 1
886 . 1 1 104 104 LYS HG3 H 1 1.480 0.02 . 2 . . 1 . 100 K HG3 . 17080 1
887 . 1 1 104 104 LYS C C 13 172.045 0.02 . 1 . . 1 . 100 K C . 17080 1
888 . 1 1 104 104 LYS CA C 13 53.785 0.02 . 1 . . 1 . 100 K CA . 17080 1
889 . 1 1 104 104 LYS CB C 13 32.256 0.02 . 1 . . 1 . 100 K CB . 17080 1
890 . 1 1 104 104 LYS CD C 13 27.321 0.02 . 1 . . 1 . 100 K CD . 17080 1
891 . 1 1 104 104 LYS CE C 13 42.644 0.02 . 1 . . 1 . 100 K CE . 17080 1
892 . 1 1 104 104 LYS CG C 13 24.400 0.02 . 1 . . 1 . 100 K CG . 17080 1
893 . 1 1 104 104 LYS N N 15 124.416 0.02 . 1 . . 1 . 100 K N . 17080 1
894 . 1 1 105 105 PRO HA H 1 4.417 0.02 . 1 . . 1 . 101 P HA . 17080 1
895 . 1 1 105 105 PRO HB2 H 1 1.860 0.02 . 2 . . 1 . 101 P HB2 . 17080 1
896 . 1 1 105 105 PRO HB3 H 1 2.256 0.02 . 2 . . 1 . 101 P HB3 . 17080 1
897 . 1 1 105 105 PRO HD2 H 1 3.387 0.02 . 2 . . 1 . 101 P HD2 . 17080 1
898 . 1 1 105 105 PRO HD3 H 1 3.387 0.02 . 2 . . 1 . 101 P HD3 . 17080 1
899 . 1 1 105 105 PRO C C 13 174.254 0.02 . 1 . . 1 . 101 P C . 17080 1
900 . 1 1 105 105 PRO CA C 13 62.872 0.02 . 1 . . 1 . 101 P CA . 17080 1
901 . 1 1 105 105 PRO CB C 13 30.076 0.02 . 1 . . 1 . 101 P CB . 17080 1
902 . 1 1 105 105 PRO CD C 13 50.348 0.02 . 1 . . 1 . 101 P CD . 17080 1
903 . 1 1 106 106 CYS H H 1 8.447 0.02 . 1 . . 1 . 102 C H . 17080 1
904 . 1 1 106 106 CYS HA H 1 4.489 0.02 . 1 . . 1 . 102 C HA . 17080 1
905 . 1 1 106 106 CYS HB2 H 1 2.974 0.02 . 2 . . 1 . 102 C HB2 . 17080 1
906 . 1 1 106 106 CYS HB3 H 1 2.974 0.02 . 2 . . 1 . 102 C HB3 . 17080 1
907 . 1 1 106 106 CYS CA C 13 57.799 0.02 . 1 . . 1 . 102 C CA . 17080 1
908 . 1 1 106 106 CYS CB C 13 28.334 0.02 . 1 . . 1 . 102 C CB . 17080 1
909 . 1 1 106 106 CYS N N 15 119.671 0.02 . 1 . . 1 . 102 C N . 17080 1
910 . 1 1 107 107 SER HA H 1 4.310 0.02 . 1 . . 1 . 103 S HA . 17080 1
911 . 1 1 107 107 SER HB2 H 1 3.801 0.02 . 2 . . 1 . 103 S HB2 . 17080 1
912 . 1 1 107 107 SER HB3 H 1 3.801 0.02 . 2 . . 1 . 103 S HB3 . 17080 1
913 . 1 1 107 107 SER C C 13 171.715 0.02 . 1 . . 1 . 103 S C . 17080 1
914 . 1 1 107 107 SER CA C 13 58.200 0.02 . 1 . . 1 . 103 S CA . 17080 1
915 . 1 1 107 107 SER CB C 13 63.700 0.02 . 1 . . 1 . 103 S CB . 17080 1
916 . 1 1 108 108 ARG H H 1 8.245 0.02 . 1 . . 1 . 104 R H . 17080 1
917 . 1 1 108 108 ARG HA H 1 4.230 0.02 . 1 . . 1 . 104 R HA . 17080 1
918 . 1 1 108 108 ARG HB2 H 1 1.714 0.02 . 2 . . 1 . 104 R HB2 . 17080 1
919 . 1 1 108 108 ARG HB3 H 1 1.714 0.02 . 2 . . 1 . 104 R HB3 . 17080 1
920 . 1 1 108 108 ARG HG2 H 1 1.580 0.02 . 2 . . 1 . 104 R HG2 . 17080 1
921 . 1 1 108 108 ARG HG3 H 1 1.580 0.02 . 2 . . 1 . 104 R HG3 . 17080 1
922 . 1 1 108 108 ARG CA C 13 54.260 0.02 . 1 . . 1 . 104 R CA . 17080 1
923 . 1 1 108 108 ARG CB C 13 31.818 0.02 . 1 . . 1 . 104 R CB . 17080 1
924 . 1 1 108 108 ARG CG C 13 26.059 0.02 . 1 . . 1 . 104 R CG . 17080 1
925 . 1 1 108 108 ARG N N 15 123.270 0.02 . 1 . . 1 . 104 R N . 17080 1
926 . 1 1 109 109 PRO HA H 1 4.420 0.02 . 1 . . 1 . 105 P HA . 17080 1
927 . 1 1 109 109 PRO HB2 H 1 1.914 0.02 . 2 . . 1 . 105 P HB2 . 17080 1
928 . 1 1 109 109 PRO HB3 H 1 2.282 0.02 . 2 . . 1 . 105 P HB3 . 17080 1
929 . 1 1 109 109 PRO HD2 H 1 3.650 0.02 . 2 . . 1 . 105 P HD2 . 17080 1
930 . 1 1 109 109 PRO HD3 H 1 3.710 0.02 . 2 . . 1 . 105 P HD3 . 17080 1
931 . 1 1 109 109 PRO HG2 H 1 2.011 0.02 . 2 . . 1 . 105 P HG2 . 17080 1
932 . 1 1 109 109 PRO HG3 H 1 2.011 0.02 . 2 . . 1 . 105 P HG3 . 17080 1
933 . 1 1 109 109 PRO C C 13 174.940 0.02 . 1 . . 1 . 105 P C . 17080 1
934 . 1 1 109 109 PRO CA C 13 63.230 0.02 . 1 . . 1 . 105 P CA . 17080 1
935 . 1 1 109 109 PRO CB C 13 31.980 0.02 . 1 . . 1 . 105 P CB . 17080 1
936 . 1 1 109 109 PRO CD C 13 50.542 0.02 . 1 . . 1 . 105 P CD . 17080 1
937 . 1 1 109 109 PRO CG C 13 27.151 0.02 . 1 . . 1 . 105 P CG . 17080 1
938 . 1 1 110 110 LEU H H 1 8.462 0.02 . 1 . . 1 . 106 L H . 17080 1
939 . 1 1 110 110 LEU HA H 1 4.332 0.02 . 1 . . 1 . 106 L HA . 17080 1
940 . 1 1 110 110 LEU HB2 H 1 1.590 0.02 . 2 . . 1 . 106 L HB2 . 17080 1
941 . 1 1 110 110 LEU HB3 H 1 1.700 0.02 . 2 . . 1 . 106 L HB3 . 17080 1
942 . 1 1 110 110 LEU HD11 H 1 0.848 0.02 . 1 . . 1 . 106 L QD1 . 17080 1
943 . 1 1 110 110 LEU HD12 H 1 0.848 0.02 . 1 . . 1 . 106 L QD1 . 17080 1
944 . 1 1 110 110 LEU HD13 H 1 0.848 0.02 . 1 . . 1 . 106 L QD1 . 17080 1
945 . 1 1 110 110 LEU HD21 H 1 0.826 0.02 . 1 . . 1 . 106 L QD2 . 17080 1
946 . 1 1 110 110 LEU HD22 H 1 0.826 0.02 . 1 . . 1 . 106 L QD2 . 17080 1
947 . 1 1 110 110 LEU HD23 H 1 0.826 0.02 . 1 . . 1 . 106 L QD2 . 17080 1
948 . 1 1 110 110 LEU HG H 1 1.402 0.02 . 1 . . 1 . 106 L HG . 17080 1
949 . 1 1 110 110 LEU C C 13 175.758 0.02 . 1 . . 1 . 106 L C . 17080 1
950 . 1 1 110 110 LEU CA C 13 54.817 0.02 . 1 . . 1 . 106 L CA . 17080 1
951 . 1 1 110 110 LEU CB C 13 41.340 0.02 . 1 . . 1 . 106 L CB . 17080 1
952 . 1 1 110 110 LEU CD1 C 13 24.606 0.02 . 2 . . 1 . 106 L CD1 . 17080 1
953 . 1 1 110 110 LEU CD2 C 13 23.134 0.02 . 2 . . 1 . 106 L CD2 . 17080 1
954 . 1 1 110 110 LEU CG C 13 28.723 0.02 . 1 . . 1 . 106 L CG . 17080 1
955 . 1 1 110 110 LEU N N 15 121.671 0.02 . 1 . . 1 . 106 L N . 17080 1
956 . 1 1 111 111 SER H H 1 8.308 0.02 . 1 . . 1 . 107 S H . 17080 1
957 . 1 1 111 111 SER HA H 1 4.290 0.02 . 1 . . 1 . 107 S HA . 17080 1
958 . 1 1 111 111 SER HB2 H 1 3.880 0.02 . 2 . . 1 . 107 S HB2 . 17080 1
959 . 1 1 111 111 SER HB3 H 1 3.960 0.02 . 2 . . 1 . 107 S HB3 . 17080 1
960 . 1 1 111 111 SER C C 13 172.578 0.02 . 1 . . 1 . 107 S C . 17080 1
961 . 1 1 111 111 SER CA C 13 59.970 0.02 . 1 . . 1 . 107 S CA . 17080 1
962 . 1 1 111 111 SER CB C 13 62.990 0.02 . 1 . . 1 . 107 S CB . 17080 1
963 . 1 1 111 111 SER N N 15 116.367 0.02 . 1 . . 1 . 107 S N . 17080 1
964 . 1 1 112 112 SER H H 1 8.179 0.02 . 1 . . 1 . 108 S H . 17080 1
965 . 1 1 112 112 SER HA H 1 4.408 0.02 . 1 . . 1 . 108 S HA . 17080 1
966 . 1 1 112 112 SER HB2 H 1 3.880 0.02 . 2 . . 1 . 108 S HB2 . 17080 1
967 . 1 1 112 112 SER HB3 H 1 3.880 0.02 . 2 . . 1 . 108 S HB3 . 17080 1
968 . 1 1 112 112 SER C C 13 171.745 0.02 . 1 . . 1 . 108 S C . 17080 1
969 . 1 1 112 112 SER CA C 13 59.082 0.02 . 1 . . 1 . 108 S CA . 17080 1
970 . 1 1 112 112 SER CB C 13 62.434 0.02 . 1 . . 1 . 108 S CB . 17080 1
971 . 1 1 112 112 SER N N 15 114.867 0.02 . 1 . . 1 . 108 S N . 17080 1
972 . 1 1 113 113 ILE H H 1 7.842 0.02 . 1 . . 1 . 109 I H . 17080 1
973 . 1 1 113 113 ILE HA H 1 4.029 0.02 . 1 . . 1 . 109 I HA . 17080 1
974 . 1 1 113 113 ILE HB H 1 1.672 0.02 . 1 . . 1 . 109 I HB . 17080 1
975 . 1 1 113 113 ILE HD11 H 1 0.700 0.02 . 1 . . 1 . 109 I QD1 . 17080 1
976 . 1 1 113 113 ILE HD12 H 1 0.700 0.02 . 1 . . 1 . 109 I QD1 . 17080 1
977 . 1 1 113 113 ILE HD13 H 1 0.700 0.02 . 1 . . 1 . 109 I QD1 . 17080 1
978 . 1 1 113 113 ILE HG12 H 1 1.493 0.02 . 2 . . 1 . 109 I HG12 . 17080 1
979 . 1 1 113 113 ILE HG13 H 1 1.493 0.02 . 2 . . 1 . 109 I HG13 . 17080 1
980 . 1 1 113 113 ILE HG21 H 1 0.850 0.02 . 1 . . 1 . 109 I QG2 . 17080 1
981 . 1 1 113 113 ILE HG22 H 1 0.850 0.02 . 1 . . 1 . 109 I QG2 . 17080 1
982 . 1 1 113 113 ILE HG23 H 1 0.850 0.02 . 1 . . 1 . 109 I QG2 . 17080 1
983 . 1 1 113 113 ILE C C 13 171.700 0.02 . 1 . . 1 . 109 I C . 17080 1
984 . 1 1 113 113 ILE CA C 13 62.470 0.02 . 1 . . 1 . 109 I CA . 17080 1
985 . 1 1 113 113 ILE CB C 13 39.160 0.02 . 1 . . 1 . 109 I CB . 17080 1
986 . 1 1 113 113 ILE CD1 C 13 13.476 0.02 . 1 . . 1 . 109 I CD1 . 17080 1
987 . 1 1 113 113 ILE CG1 C 13 27.699 0.02 . 1 . . 1 . 109 I CG1 . 17080 1
988 . 1 1 113 113 ILE CG2 C 13 18.551 0.02 . 1 . . 1 . 109 I CG2 . 17080 1
989 . 1 1 113 113 ILE N N 15 119.922 0.02 . 1 . . 1 . 109 I N . 17080 1
990 . 1 1 114 114 LEU H H 1 7.754 0.02 . 1 . . 1 . 110 L H . 17080 1
991 . 1 1 114 114 LEU HA H 1 5.063 0.02 . 1 . . 1 . 110 L HA . 17080 1
992 . 1 1 114 114 LEU HB2 H 1 1.755 0.02 . 2 . . 1 . 110 L HB2 . 17080 1
993 . 1 1 114 114 LEU HB3 H 1 1.290 0.02 . 2 . . 1 . 110 L HB3 . 17080 1
994 . 1 1 114 114 LEU HD11 H 1 0.906 0.02 . 1 . . 1 . 110 L QD1 . 17080 1
995 . 1 1 114 114 LEU HD12 H 1 0.906 0.02 . 1 . . 1 . 110 L QD1 . 17080 1
996 . 1 1 114 114 LEU HD13 H 1 0.906 0.02 . 1 . . 1 . 110 L QD1 . 17080 1
997 . 1 1 114 114 LEU HD21 H 1 0.833 0.02 . 1 . . 1 . 110 L QD2 . 17080 1
998 . 1 1 114 114 LEU HD22 H 1 0.833 0.02 . 1 . . 1 . 110 L QD2 . 17080 1
999 . 1 1 114 114 LEU HD23 H 1 0.833 0.02 . 1 . . 1 . 110 L QD2 . 17080 1
1000 . 1 1 114 114 LEU HG H 1 1.580 0.02 . 1 . . 1 . 110 L HG . 17080 1
1001 . 1 1 114 114 LEU C C 13 174.365 0.02 . 1 . . 1 . 110 L C . 17080 1
1002 . 1 1 114 114 LEU CA C 13 53.088 0.02 . 1 . . 1 . 110 L CA . 17080 1
1003 . 1 1 114 114 LEU CB C 13 41.883 0.02 . 1 . . 1 . 110 L CB . 17080 1
1004 . 1 1 114 114 LEU CD1 C 13 25.456 0.02 . 2 . . 1 . 110 L CD1 . 17080 1
1005 . 1 1 114 114 LEU CD2 C 13 23.134 0.02 . 2 . . 1 . 110 L CD2 . 17080 1
1006 . 1 1 114 114 LEU CG C 13 28.933 0.02 . 1 . . 1 . 110 L CG . 17080 1
1007 . 1 1 114 114 LEU N N 15 120.159 0.02 . 1 . . 1 . 110 L N . 17080 1
1008 . 1 1 115 115 GLY H H 1 8.537 0.02 . 1 . . 1 . 111 G H . 17080 1
1009 . 1 1 115 115 GLY HA2 H 1 4.480 0.02 . 2 . . 1 . 111 G HA2 . 17080 1
1010 . 1 1 115 115 GLY HA3 H 1 3.580 0.02 . 2 . . 1 . 111 G HA3 . 17080 1
1011 . 1 1 115 115 GLY C C 13 170.459 0.02 . 1 . . 1 . 111 G C . 17080 1
1012 . 1 1 115 115 GLY CA C 13 43.385 0.02 . 1 . . 1 . 111 G CA . 17080 1
1013 . 1 1 115 115 GLY N N 15 111.210 0.02 . 1 . . 1 . 111 G N . 17080 1
1014 . 1 1 116 116 ARG H H 1 9.091 0.02 . 1 . . 1 . 112 R H . 17080 1
1015 . 1 1 116 116 ARG HA H 1 4.260 0.02 . 1 . . 1 . 112 R HA . 17080 1
1016 . 1 1 116 116 ARG HB2 H 1 1.762 0.02 . 2 . . 1 . 112 R HB2 . 17080 1
1017 . 1 1 116 116 ARG HB3 H 1 1.850 0.02 . 2 . . 1 . 112 R HB3 . 17080 1
1018 . 1 1 116 116 ARG HD2 H 1 3.241 0.02 . 2 . . 1 . 112 R HD2 . 17080 1
1019 . 1 1 116 116 ARG HD3 H 1 3.241 0.02 . 2 . . 1 . 112 R HD3 . 17080 1
1020 . 1 1 116 116 ARG C C 13 174.395 0.02 . 1 . . 1 . 112 R C . 17080 1
1021 . 1 1 116 116 ARG CA C 13 55.792 0.02 . 1 . . 1 . 112 R CA . 17080 1
1022 . 1 1 116 116 ARG CB C 13 30.484 0.02 . 1 . . 1 . 112 R CB . 17080 1
1023 . 1 1 116 116 ARG CD C 13 43.170 0.02 . 1 . . 1 . 112 R CD . 17080 1
1024 . 1 1 116 116 ARG N N 15 124.960 0.02 . 1 . . 1 . 112 R N . 17080 1
1025 . 1 1 117 117 SER H H 1 8.514 0.02 . 1 . . 1 . 113 S H . 17080 1
1026 . 1 1 117 117 SER HA H 1 5.080 0.02 . 1 . . 1 . 113 S HA . 17080 1
1027 . 1 1 117 117 SER HB2 H 1 3.760 0.02 . 2 . . 1 . 113 S HB2 . 17080 1
1028 . 1 1 117 117 SER HB3 H 1 3.650 0.02 . 2 . . 1 . 113 S HB3 . 17080 1
1029 . 1 1 117 117 SER C C 13 171.155 0.02 . 1 . . 1 . 113 S C . 17080 1
1030 . 1 1 117 117 SER CA C 13 56.814 0.02 . 1 . . 1 . 113 S CA . 17080 1
1031 . 1 1 117 117 SER CB C 13 64.151 0.02 . 1 . . 1 . 113 S CB . 17080 1
1032 . 1 1 117 117 SER N N 15 117.019 0.02 . 1 . . 1 . 113 S N . 17080 1
1033 . 1 1 118 118 ASN H H 1 9.125 0.02 . 1 . . 1 . 114 N H . 17080 1
1034 . 1 1 118 118 ASN HA H 1 4.950 0.02 . 1 . . 1 . 114 N HA . 17080 1
1035 . 1 1 118 118 ASN HB2 H 1 3.379 0.02 . 2 . . 1 . 114 N HB2 . 17080 1
1036 . 1 1 118 118 ASN HB3 H 1 2.792 0.02 . 2 . . 1 . 114 N HB3 . 17080 1
1037 . 1 1 118 118 ASN HD21 H 1 7.717 0.02 . 2 . . 1 . 114 N HD21 . 17080 1
1038 . 1 1 118 118 ASN HD22 H 1 6.697 0.02 . 2 . . 1 . 114 N HD22 . 17080 1
1039 . 1 1 118 118 ASN C C 13 173.850 0.02 . 1 . . 1 . 114 N C . 17080 1
1040 . 1 1 118 118 ASN CA C 13 52.106 0.02 . 1 . . 1 . 114 N CA . 17080 1
1041 . 1 1 118 118 ASN CB C 13 38.153 0.02 . 1 . . 1 . 114 N CB . 17080 1
1042 . 1 1 118 118 ASN N N 15 121.320 0.02 . 1 . . 1 . 114 N N . 17080 1
1043 . 1 1 118 118 ASN ND2 N 15 110.385 0.02 . 1 . . 1 . 114 N ND2 . 17080 1
1044 . 1 1 119 119 LEU H H 1 9.050 0.02 . 1 . . 1 . 115 L H . 17080 1
1045 . 1 1 119 119 LEU HA H 1 4.627 0.02 . 1 . . 1 . 115 L HA . 17080 1
1046 . 1 1 119 119 LEU HB2 H 1 1.530 0.02 . 2 . . 1 . 115 L HB2 . 17080 1
1047 . 1 1 119 119 LEU HB3 H 1 1.530 0.02 . 2 . . 1 . 115 L HB3 . 17080 1
1048 . 1 1 119 119 LEU HD11 H 1 0.791 0.02 . 1 . . 1 . 115 L QD1 . 17080 1
1049 . 1 1 119 119 LEU HD12 H 1 0.791 0.02 . 1 . . 1 . 115 L QD1 . 17080 1
1050 . 1 1 119 119 LEU HD13 H 1 0.791 0.02 . 1 . . 1 . 115 L QD1 . 17080 1
1051 . 1 1 119 119 LEU HD21 H 1 0.810 0.02 . 1 . . 1 . 115 L QD2 . 17080 1
1052 . 1 1 119 119 LEU HD22 H 1 0.810 0.02 . 1 . . 1 . 115 L QD2 . 17080 1
1053 . 1 1 119 119 LEU HD23 H 1 0.810 0.02 . 1 . . 1 . 115 L QD2 . 17080 1
1054 . 1 1 119 119 LEU HG H 1 1.672 0.02 . 1 . . 1 . 115 L HG . 17080 1
1055 . 1 1 119 119 LEU C C 13 175.274 0.02 . 1 . . 1 . 115 L C . 17080 1
1056 . 1 1 119 119 LEU CA C 13 52.763 0.02 . 1 . . 1 . 115 L CA . 17080 1
1057 . 1 1 119 119 LEU CB C 13 39.235 0.02 . 1 . . 1 . 115 L CB . 17080 1
1058 . 1 1 119 119 LEU CD1 C 13 22.683 0.02 . 2 . . 1 . 115 L CD1 . 17080 1
1059 . 1 1 119 119 LEU CD2 C 13 24.768 0.02 . 2 . . 1 . 115 L CD2 . 17080 1
1060 . 1 1 119 119 LEU CG C 13 26.194 0.02 . 1 . . 1 . 115 L CG . 17080 1
1061 . 1 1 119 119 LEU N N 15 125.668 0.02 . 1 . . 1 . 115 L N . 17080 1
1062 . 1 1 120 120 LYS H H 1 8.046 0.02 . 1 . . 1 . 116 K H . 17080 1
1063 . 1 1 120 120 LYS HA H 1 3.842 0.02 . 1 . . 1 . 116 K HA . 17080 1
1064 . 1 1 120 120 LYS HB2 H 1 1.330 0.02 . 2 . . 1 . 116 K HB2 . 17080 1
1065 . 1 1 120 120 LYS HB3 H 1 1.330 0.02 . 2 . . 1 . 116 K HB3 . 17080 1
1066 . 1 1 120 120 LYS HE2 H 1 2.760 0.02 . 2 . . 1 . 116 K HE2 . 17080 1
1067 . 1 1 120 120 LYS HE3 H 1 2.760 0.02 . 2 . . 1 . 116 K HE3 . 17080 1
1068 . 1 1 120 120 LYS HG2 H 1 1.279 0.02 . 2 . . 1 . 116 K HG2 . 17080 1
1069 . 1 1 120 120 LYS HG3 H 1 1.279 0.02 . 2 . . 1 . 116 K HG3 . 17080 1
1070 . 1 1 120 120 LYS C C 13 175.542 0.02 . 1 . . 1 . 116 K C . 17080 1
1071 . 1 1 120 120 LYS CA C 13 59.624 0.02 . 1 . . 1 . 116 K CA . 17080 1
1072 . 1 1 120 120 LYS CB C 13 31.849 0.02 . 1 . . 1 . 116 K CB . 17080 1
1073 . 1 1 120 120 LYS CE C 13 39.325 0.02 . 1 . . 1 . 116 K CE . 17080 1
1074 . 1 1 120 120 LYS CG C 13 24.281 0.02 . 1 . . 1 . 116 K CG . 17080 1
1075 . 1 1 120 120 LYS N N 15 125.327 0.02 . 1 . . 1 . 116 K N . 17080 1
1076 . 1 1 121 121 PHE H H 1 8.888 0.02 . 1 . . 1 . 117 F H . 17080 1
1077 . 1 1 121 121 PHE HA H 1 4.814 0.02 . 1 . . 1 . 117 F HA . 17080 1
1078 . 1 1 121 121 PHE HB2 H 1 2.947 0.02 . 2 . . 1 . 117 F HB2 . 17080 1
1079 . 1 1 121 121 PHE HB3 H 1 2.824 0.02 . 2 . . 1 . 117 F HB3 . 17080 1
1080 . 1 1 121 121 PHE HD1 H 1 7.364 0.02 . 3 . . 1 . 117 F QD . 17080 1
1081 . 1 1 121 121 PHE HD2 H 1 7.364 0.02 . 3 . . 1 . 117 F QD . 17080 1
1082 . 1 1 121 121 PHE C C 13 174.272 0.02 . 1 . . 1 . 117 F C . 17080 1
1083 . 1 1 121 121 PHE CA C 13 56.413 0.02 . 1 . . 1 . 117 F CA . 17080 1
1084 . 1 1 121 121 PHE CB C 13 39.690 0.02 . 1 . . 1 . 117 F CB . 17080 1
1085 . 1 1 121 121 PHE CD1 C 13 131.158 0.02 . 3 . . 1 . 117 F CD1 . 17080 1
1086 . 1 1 121 121 PHE CD2 C 13 131.158 0.02 . 3 . . 1 . 117 F CD2 . 17080 1
1087 . 1 1 121 121 PHE N N 15 115.815 0.02 . 1 . . 1 . 117 F N . 17080 1
1088 . 1 1 122 122 ALA H H 1 7.325 0.02 . 1 . . 1 . 118 A H . 17080 1
1089 . 1 1 122 122 ALA HA H 1 3.953 0.02 . 1 . . 1 . 118 A HA . 17080 1
1090 . 1 1 122 122 ALA HB1 H 1 1.363 0.02 . 1 . . 1 . 118 A QB . 17080 1
1091 . 1 1 122 122 ALA HB2 H 1 1.363 0.02 . 1 . . 1 . 118 A QB . 17080 1
1092 . 1 1 122 122 ALA HB3 H 1 1.363 0.02 . 1 . . 1 . 118 A QB . 17080 1
1093 . 1 1 122 122 ALA C C 13 177.000 0.02 . 1 . . 1 . 118 A C . 17080 1
1094 . 1 1 122 122 ALA CA C 13 53.354 0.02 . 1 . . 1 . 118 A CA . 17080 1
1095 . 1 1 122 122 ALA CB C 13 19.678 0.02 . 1 . . 1 . 118 A CB . 17080 1
1096 . 1 1 122 122 ALA N N 15 120.116 0.02 . 1 . . 1 . 118 A N . 17080 1
1097 . 1 1 123 123 GLY H H 1 9.875 0.02 . 1 . . 1 . 119 G H . 17080 1
1098 . 1 1 123 123 GLY HA2 H 1 3.938 0.02 . 2 . . 1 . 119 G HA2 . 17080 1
1099 . 1 1 123 123 GLY HA3 H 1 3.938 0.02 . 2 . . 1 . 119 G HA3 . 17080 1
1100 . 1 1 123 123 GLY C C 13 171.745 0.02 . 1 . . 1 . 119 G C . 17080 1
1101 . 1 1 123 123 GLY CA C 13 44.443 0.02 . 1 . . 1 . 119 G CA . 17080 1
1102 . 1 1 123 123 GLY N N 15 111.701 0.02 . 1 . . 1 . 119 G N . 17080 1
1103 . 1 1 124 124 MET H H 1 7.956 0.02 . 1 . . 1 . 120 M H . 17080 1
1104 . 1 1 124 124 MET HA H 1 4.684 0.02 . 1 . . 1 . 120 M HA . 17080 1
1105 . 1 1 124 124 MET HB2 H 1 2.211 0.02 . 2 . . 1 . 120 M HB2 . 17080 1
1106 . 1 1 124 124 MET HB3 H 1 2.353 0.02 . 2 . . 1 . 120 M HB3 . 17080 1
1107 . 1 1 124 124 MET HE1 H 1 2.215 0.02 . 1 . . 1 . 120 M QE . 17080 1
1108 . 1 1 124 124 MET HE2 H 1 2.215 0.02 . 1 . . 1 . 120 M QE . 17080 1
1109 . 1 1 124 124 MET HE3 H 1 2.215 0.02 . 1 . . 1 . 120 M QE . 17080 1
1110 . 1 1 124 124 MET HG2 H 1 2.674 0.02 . 2 . . 1 . 120 M HG2 . 17080 1
1111 . 1 1 124 124 MET HG3 H 1 2.674 0.02 . 2 . . 1 . 120 M HG3 . 17080 1
1112 . 1 1 124 124 MET CA C 13 55.464 0.02 . 1 . . 1 . 120 M CA . 17080 1
1113 . 1 1 124 124 MET CB C 13 34.089 0.02 . 1 . . 1 . 120 M CB . 17080 1
1114 . 1 1 124 124 MET CE C 13 16.870 0.02 . 1 . . 1 . 120 M CE . 17080 1
1115 . 1 1 124 124 MET CG C 13 31.239 0.02 . 1 . . 1 . 120 M CG . 17080 1
1116 . 1 1 124 124 MET N N 15 122.591 0.02 . 1 . . 1 . 120 M N . 17080 1
1117 . 1 1 125 125 PRO HA H 1 4.920 0.02 . 1 . . 1 . 121 P HA . 17080 1
1118 . 1 1 125 125 PRO HB2 H 1 2.043 0.02 . 2 . . 1 . 121 P HB2 . 17080 1
1119 . 1 1 125 125 PRO HB3 H 1 2.307 0.02 . 2 . . 1 . 121 P HB3 . 17080 1
1120 . 1 1 125 125 PRO HD2 H 1 3.888 0.02 . 2 . . 1 . 121 P HD2 . 17080 1
1121 . 1 1 125 125 PRO HD3 H 1 4.340 0.02 . 2 . . 1 . 121 P HD3 . 17080 1
1122 . 1 1 125 125 PRO HG2 H 1 2.307 0.02 . 2 . . 1 . 121 P HG2 . 17080 1
1123 . 1 1 125 125 PRO HG3 H 1 2.020 0.02 . 2 . . 1 . 121 P HG3 . 17080 1
1124 . 1 1 125 125 PRO C C 13 174.456 0.02 . 1 . . 1 . 121 P C . 17080 1
1125 . 1 1 125 125 PRO CA C 13 62.430 0.02 . 1 . . 1 . 121 P CA . 17080 1
1126 . 1 1 125 125 PRO CB C 13 31.700 0.02 . 1 . . 1 . 121 P CB . 17080 1
1127 . 1 1 125 125 PRO CD C 13 50.719 0.02 . 1 . . 1 . 121 P CD . 17080 1
1128 . 1 1 125 125 PRO CG C 13 28.170 0.02 . 1 . . 1 . 121 P CG . 17080 1
1129 . 1 1 126 126 ILE H H 1 9.247 0.02 . 1 . . 1 . 122 I H . 17080 1
1130 . 1 1 126 126 ILE HA H 1 5.152 0.02 . 1 . . 1 . 122 I HA . 17080 1
1131 . 1 1 126 126 ILE HB H 1 1.604 0.02 . 1 . . 1 . 122 I HB . 17080 1
1132 . 1 1 126 126 ILE HD11 H 1 0.763 0.02 . 1 . . 1 . 122 I QD1 . 17080 1
1133 . 1 1 126 126 ILE HD12 H 1 0.763 0.02 . 1 . . 1 . 122 I QD1 . 17080 1
1134 . 1 1 126 126 ILE HD13 H 1 0.763 0.02 . 1 . . 1 . 122 I QD1 . 17080 1
1135 . 1 1 126 126 ILE HG12 H 1 1.440 0.02 . 2 . . 1 . 122 I HG12 . 17080 1
1136 . 1 1 126 126 ILE HG13 H 1 1.440 0.02 . 2 . . 1 . 122 I HG13 . 17080 1
1137 . 1 1 126 126 ILE HG21 H 1 0.777 0.02 . 1 . . 1 . 122 I QG2 . 17080 1
1138 . 1 1 126 126 ILE HG22 H 1 0.777 0.02 . 1 . . 1 . 122 I QG2 . 17080 1
1139 . 1 1 126 126 ILE HG23 H 1 0.777 0.02 . 1 . . 1 . 122 I QG2 . 17080 1
1140 . 1 1 126 126 ILE C C 13 172.700 0.02 . 1 . . 1 . 122 I C . 17080 1
1141 . 1 1 126 126 ILE CA C 13 58.476 0.02 . 1 . . 1 . 122 I CA . 17080 1
1142 . 1 1 126 126 ILE CB C 13 43.097 0.02 . 1 . . 1 . 122 I CB . 17080 1
1143 . 1 1 126 126 ILE CD1 C 13 15.759 0.02 . 1 . . 1 . 122 I CD1 . 17080 1
1144 . 1 1 126 126 ILE CG1 C 13 25.403 0.02 . 1 . . 1 . 122 I CG1 . 17080 1
1145 . 1 1 126 126 ILE CG2 C 13 18.031 0.02 . 1 . . 1 . 122 I CG2 . 17080 1
1146 . 1 1 126 126 ILE N N 15 119.255 0.02 . 1 . . 1 . 122 I N . 17080 1
1147 . 1 1 127 127 THR H H 1 9.247 0.02 . 1 . . 1 . 123 T H . 17080 1
1148 . 1 1 127 127 THR HA H 1 4.980 0.02 . 1 . . 1 . 123 T HA . 17080 1
1149 . 1 1 127 127 THR HB H 1 3.887 0.02 . 1 . . 1 . 123 T HB . 17080 1
1150 . 1 1 127 127 THR HG21 H 1 1.060 0.02 . 1 . . 1 . 123 T QG2 . 17080 1
1151 . 1 1 127 127 THR HG22 H 1 1.060 0.02 . 1 . . 1 . 123 T QG2 . 17080 1
1152 . 1 1 127 127 THR HG23 H 1 1.060 0.02 . 1 . . 1 . 123 T QG2 . 17080 1
1153 . 1 1 127 127 THR C C 13 172.306 0.02 . 1 . . 1 . 123 T C . 17080 1
1154 . 1 1 127 127 THR CA C 13 61.777 0.02 . 1 . . 1 . 123 T CA . 17080 1
1155 . 1 1 127 127 THR CB C 13 68.667 0.02 . 1 . . 1 . 123 T CB . 17080 1
1156 . 1 1 127 127 THR CG2 C 13 21.633 0.02 . 1 . . 1 . 123 T CG2 . 17080 1
1157 . 1 1 127 127 THR N N 15 116.885 0.02 . 1 . . 1 . 123 T N . 17080 1
1158 . 1 1 128 128 LEU H H 1 9.594 0.02 . 1 . . 1 . 124 L H . 17080 1
1159 . 1 1 128 128 LEU HA H 1 5.310 0.02 . 1 . . 1 . 124 L HA . 17080 1
1160 . 1 1 128 128 LEU HB2 H 1 1.253 0.02 . 2 . . 1 . 124 L HB2 . 17080 1
1161 . 1 1 128 128 LEU HB3 H 1 2.000 0.02 . 2 . . 1 . 124 L HB3 . 17080 1
1162 . 1 1 128 128 LEU HD11 H 1 0.789 0.02 . 1 . . 1 . 124 L QD1 . 17080 1
1163 . 1 1 128 128 LEU HD12 H 1 0.789 0.02 . 1 . . 1 . 124 L QD1 . 17080 1
1164 . 1 1 128 128 LEU HD13 H 1 0.789 0.02 . 1 . . 1 . 124 L QD1 . 17080 1
1165 . 1 1 128 128 LEU HD21 H 1 0.700 0.02 . 1 . . 1 . 124 L QD2 . 17080 1
1166 . 1 1 128 128 LEU HD22 H 1 0.700 0.02 . 1 . . 1 . 124 L QD2 . 17080 1
1167 . 1 1 128 128 LEU HD23 H 1 0.700 0.02 . 1 . . 1 . 124 L QD2 . 17080 1
1168 . 1 1 128 128 LEU HG H 1 1.440 0.02 . 1 . . 1 . 124 L HG . 17080 1
1169 . 1 1 128 128 LEU C C 13 173.124 0.02 . 1 . . 1 . 124 L C . 17080 1
1170 . 1 1 128 128 LEU CA C 13 52.219 0.02 . 1 . . 1 . 124 L CA . 17080 1
1171 . 1 1 128 128 LEU CB C 13 44.200 0.02 . 1 . . 1 . 124 L CB . 17080 1
1172 . 1 1 128 128 LEU CD1 C 13 23.950 0.02 . 2 . . 1 . 124 L CD1 . 17080 1
1173 . 1 1 128 128 LEU CD2 C 13 22.280 0.02 . 2 . . 1 . 124 L CD2 . 17080 1
1174 . 1 1 128 128 LEU CG C 13 28.775 0.02 . 1 . . 1 . 124 L CG . 17080 1
1175 . 1 1 128 128 LEU N N 15 132.886 0.02 . 1 . . 1 . 124 L N . 17080 1
1176 . 1 1 129 129 THR H H 1 9.267 0.02 . 1 . . 1 . 125 T H . 17080 1
1177 . 1 1 129 129 THR HA H 1 5.191 0.02 . 1 . . 1 . 125 T HA . 17080 1
1178 . 1 1 129 129 THR HB H 1 3.890 0.02 . 1 . . 1 . 125 T HB . 17080 1
1179 . 1 1 129 129 THR HG21 H 1 0.759 0.02 . 1 . . 1 . 125 T QG2 . 17080 1
1180 . 1 1 129 129 THR HG22 H 1 0.759 0.02 . 1 . . 1 . 125 T QG2 . 17080 1
1181 . 1 1 129 129 THR HG23 H 1 0.759 0.02 . 1 . . 1 . 125 T QG2 . 17080 1
1182 . 1 1 129 129 THR C C 13 171.488 0.02 . 1 . . 1 . 125 T C . 17080 1
1183 . 1 1 129 129 THR CA C 13 61.283 0.02 . 1 . . 1 . 125 T CA . 17080 1
1184 . 1 1 129 129 THR CB C 13 68.876 0.02 . 1 . . 1 . 125 T CB . 17080 1
1185 . 1 1 129 129 THR CG2 C 13 21.003 0.02 . 1 . . 1 . 125 T CG2 . 17080 1
1186 . 1 1 129 129 THR N N 15 123.760 0.02 . 1 . . 1 . 125 T N . 17080 1
1187 . 1 1 130 130 VAL H H 1 9.439 0.02 . 1 . . 1 . 126 V H . 17080 1
1188 . 1 1 130 130 VAL HA H 1 4.237 0.02 . 1 . . 1 . 126 V HA . 17080 1
1189 . 1 1 130 130 VAL HB H 1 1.973 0.02 . 1 . . 1 . 126 V HB . 17080 1
1190 . 1 1 130 130 VAL HG11 H 1 0.811 0.02 . 1 . . 1 . 126 V QG1 . 17080 1
1191 . 1 1 130 130 VAL HG12 H 1 0.811 0.02 . 1 . . 1 . 126 V QG1 . 17080 1
1192 . 1 1 130 130 VAL HG13 H 1 0.811 0.02 . 1 . . 1 . 126 V QG1 . 17080 1
1193 . 1 1 130 130 VAL HG21 H 1 0.518 0.02 . 1 . . 1 . 126 V QG2 . 17080 1
1194 . 1 1 130 130 VAL HG22 H 1 0.518 0.02 . 1 . . 1 . 126 V QG2 . 17080 1
1195 . 1 1 130 130 VAL HG23 H 1 0.518 0.02 . 1 . . 1 . 126 V QG2 . 17080 1
1196 . 1 1 130 130 VAL C C 13 170.852 0.02 . 1 . . 1 . 126 V C . 17080 1
1197 . 1 1 130 130 VAL CA C 13 60.752 0.02 . 1 . . 1 . 126 V CA . 17080 1
1198 . 1 1 130 130 VAL CB C 13 32.840 0.02 . 1 . . 1 . 126 V CB . 17080 1
1199 . 1 1 130 130 VAL CG1 C 13 19.191 0.02 . 2 . . 1 . 126 V CG1 . 17080 1
1200 . 1 1 130 130 VAL CG2 C 13 20.877 0.02 . 2 . . 1 . 126 V CG2 . 17080 1
1201 . 1 1 130 130 VAL N N 15 129.210 0.02 . 1 . . 1 . 126 V N . 17080 1
1202 . 1 1 131 131 SER H H 1 8.314 0.02 . 1 . . 1 . 127 S H . 17080 1
1203 . 1 1 131 131 SER HA H 1 5.366 0.02 . 1 . . 1 . 127 S HA . 17080 1
1204 . 1 1 131 131 SER HB2 H 1 4.300 0.02 . 2 . . 1 . 127 S HB2 . 17080 1
1205 . 1 1 131 131 SER HB3 H 1 4.300 0.02 . 2 . . 1 . 127 S HB3 . 17080 1
1206 . 1 1 131 131 SER C C 13 170.277 0.02 . 1 . . 1 . 127 S C . 17080 1
1207 . 1 1 131 131 SER CA C 13 55.902 0.02 . 1 . . 1 . 127 S CA . 17080 1
1208 . 1 1 131 131 SER CB C 13 68.327 0.02 . 1 . . 1 . 127 S CB . 17080 1
1209 . 1 1 131 131 SER N N 15 122.587 0.02 . 1 . . 1 . 127 S N . 17080 1
1210 . 1 1 132 132 THR H H 1 7.834 0.02 . 1 . . 1 . 128 T H . 17080 1
1211 . 1 1 132 132 THR HA H 1 3.860 0.02 . 1 . . 1 . 128 T HA . 17080 1
1212 . 1 1 132 132 THR HB H 1 4.266 0.02 . 1 . . 1 . 128 T HB . 17080 1
1213 . 1 1 132 132 THR HG21 H 1 1.332 0.02 . 1 . . 1 . 128 T QG2 . 17080 1
1214 . 1 1 132 132 THR HG22 H 1 1.332 0.02 . 1 . . 1 . 128 T QG2 . 17080 1
1215 . 1 1 132 132 THR HG23 H 1 1.332 0.02 . 1 . . 1 . 128 T QG2 . 17080 1
1216 . 1 1 132 132 THR C C 13 172.669 0.02 . 1 . . 1 . 128 T C . 17080 1
1217 . 1 1 132 132 THR CA C 13 63.383 0.02 . 1 . . 1 . 128 T CA . 17080 1
1218 . 1 1 132 132 THR CB C 13 68.803 0.02 . 1 . . 1 . 128 T CB . 17080 1
1219 . 1 1 132 132 THR CG2 C 13 24.844 0.02 . 1 . . 1 . 128 T CG2 . 17080 1
1220 . 1 1 132 132 THR N N 15 103.365 0.02 . 1 . . 1 . 128 T N . 17080 1
1221 . 1 1 133 133 SER HA H 1 4.507 0.02 . 1 . . 1 . 129 S HA . 17080 1
1222 . 1 1 133 133 SER HB2 H 1 3.744 0.02 . 2 . . 1 . 129 S HB2 . 17080 1
1223 . 1 1 133 133 SER HB3 H 1 3.744 0.02 . 2 . . 1 . 129 S HB3 . 17080 1
1224 . 1 1 133 133 SER C C 13 173.124 0.02 . 1 . . 1 . 129 S C . 17080 1
1225 . 1 1 133 133 SER CA C 13 60.390 0.02 . 1 . . 1 . 129 S CA . 17080 1
1226 . 1 1 133 133 SER CB C 13 63.720 0.02 . 1 . . 1 . 129 S CB . 17080 1
1227 . 1 1 134 134 SER H H 1 7.615 0.02 . 1 . . 1 . 130 S H . 17080 1
1228 . 1 1 134 134 SER HA H 1 4.890 0.02 . 1 . . 1 . 130 S HA . 17080 1
1229 . 1 1 134 134 SER HB2 H 1 3.744 0.02 . 2 . . 1 . 130 S HB2 . 17080 1
1230 . 1 1 134 134 SER HB3 H 1 3.744 0.02 . 2 . . 1 . 130 S HB3 . 17080 1
1231 . 1 1 134 134 SER C C 13 169.611 0.02 . 1 . . 1 . 130 S C . 17080 1
1232 . 1 1 134 134 SER CA C 13 57.580 0.02 . 1 . . 1 . 130 S CA . 17080 1
1233 . 1 1 134 134 SER CB C 13 65.270 0.02 . 1 . . 1 . 130 S CB . 17080 1
1234 . 1 1 134 134 SER N N 15 115.406 0.02 . 1 . . 1 . 130 S N . 17080 1
1235 . 1 1 135 135 LEU H H 1 8.410 0.02 . 1 . . 1 . 131 L H . 17080 1
1236 . 1 1 135 135 LEU HA H 1 4.920 0.02 . 1 . . 1 . 131 L HA . 17080 1
1237 . 1 1 135 135 LEU HB2 H 1 1.551 0.02 . 2 . . 1 . 131 L HB2 . 17080 1
1238 . 1 1 135 135 LEU HB3 H 1 1.150 0.02 . 2 . . 1 . 131 L HB3 . 17080 1
1239 . 1 1 135 135 LEU HD11 H 1 0.499 0.02 . 1 . . 1 . 131 L QD1 . 17080 1
1240 . 1 1 135 135 LEU HD12 H 1 0.499 0.02 . 1 . . 1 . 131 L QD1 . 17080 1
1241 . 1 1 135 135 LEU HD13 H 1 0.499 0.02 . 1 . . 1 . 131 L QD1 . 17080 1
1242 . 1 1 135 135 LEU HD21 H 1 0.188 0.02 . 1 . . 1 . 131 L QD2 . 17080 1
1243 . 1 1 135 135 LEU HD22 H 1 0.188 0.02 . 1 . . 1 . 131 L QD2 . 17080 1
1244 . 1 1 135 135 LEU HD23 H 1 0.188 0.02 . 1 . . 1 . 131 L QD2 . 17080 1
1245 . 1 1 135 135 LEU HG H 1 1.453 0.02 . 1 . . 1 . 131 L HG . 17080 1
1246 . 1 1 135 135 LEU C C 13 171.700 0.02 . 1 . . 1 . 131 L C . 17080 1
1247 . 1 1 135 135 LEU CA C 13 54.520 0.02 . 1 . . 1 . 131 L CA . 17080 1
1248 . 1 1 135 135 LEU CB C 13 41.540 0.02 . 1 . . 1 . 131 L CB . 17080 1
1249 . 1 1 135 135 LEU CD1 C 13 25.437 0.02 . 2 . . 1 . 131 L CD1 . 17080 1
1250 . 1 1 135 135 LEU CD2 C 13 23.713 0.02 . 2 . . 1 . 131 L CD2 . 17080 1
1251 . 1 1 135 135 LEU CG C 13 27.484 0.02 . 1 . . 1 . 131 L CG . 17080 1
1252 . 1 1 135 135 LEU N N 15 118.245 0.02 . 1 . . 1 . 131 L N . 17080 1
1253 . 1 1 136 136 ASN H H 1 8.570 0.02 . 1 . . 1 . 132 N H . 17080 1
1254 . 1 1 136 136 ASN HA H 1 5.074 0.02 . 1 . . 1 . 132 N HA . 17080 1
1255 . 1 1 136 136 ASN HB2 H 1 2.550 0.02 . 2 . . 1 . 132 N HB2 . 17080 1
1256 . 1 1 136 136 ASN HB3 H 1 2.550 0.02 . 2 . . 1 . 132 N HB3 . 17080 1
1257 . 1 1 136 136 ASN HD21 H 1 6.012 0.02 . 2 . . 1 . 132 N HD21 . 17080 1
1258 . 1 1 136 136 ASN HD22 H 1 7.497 0.02 . 2 . . 1 . 132 N HD22 . 17080 1
1259 . 1 1 136 136 ASN C C 13 170.913 0.02 . 1 . . 1 . 132 N C . 17080 1
1260 . 1 1 136 136 ASN CA C 13 52.209 0.02 . 1 . . 1 . 132 N CA . 17080 1
1261 . 1 1 136 136 ASN CB C 13 41.894 0.02 . 1 . . 1 . 132 N CB . 17080 1
1262 . 1 1 136 136 ASN N N 15 121.653 0.02 . 1 . . 1 . 132 N N . 17080 1
1263 . 1 1 136 136 ASN ND2 N 15 110.351 0.02 . 1 . . 1 . 132 N ND2 . 17080 1
1264 . 1 1 137 137 LEU H H 1 8.673 0.02 . 1 . . 1 . 133 L H . 17080 1
1265 . 1 1 137 137 LEU HA H 1 4.881 0.02 . 1 . . 1 . 133 L HA . 17080 1
1266 . 1 1 137 137 LEU HB2 H 1 1.499 0.02 . 2 . . 1 . 133 L HB2 . 17080 1
1267 . 1 1 137 137 LEU HB3 H 1 1.499 0.02 . 2 . . 1 . 133 L HB3 . 17080 1
1268 . 1 1 137 137 LEU HD11 H 1 0.811 0.02 . 1 . . 1 . 133 L QD1 . 17080 1
1269 . 1 1 137 137 LEU HD12 H 1 0.811 0.02 . 1 . . 1 . 133 L QD1 . 17080 1
1270 . 1 1 137 137 LEU HD13 H 1 0.811 0.02 . 1 . . 1 . 133 L QD1 . 17080 1
1271 . 1 1 137 137 LEU HD21 H 1 0.645 0.02 . 1 . . 1 . 133 L QD2 . 17080 1
1272 . 1 1 137 137 LEU HD22 H 1 0.645 0.02 . 1 . . 1 . 133 L QD2 . 17080 1
1273 . 1 1 137 137 LEU HD23 H 1 0.645 0.02 . 1 . . 1 . 133 L QD2 . 17080 1
1274 . 1 1 137 137 LEU HG H 1 1.499 0.02 . 1 . . 1 . 133 L HG . 17080 1
1275 . 1 1 137 137 LEU C C 13 171.670 0.02 . 1 . . 1 . 133 L C . 17080 1
1276 . 1 1 137 137 LEU CA C 13 54.223 0.02 . 1 . . 1 . 133 L CA . 17080 1
1277 . 1 1 137 137 LEU CB C 13 42.240 0.02 . 1 . . 1 . 133 L CB . 17080 1
1278 . 1 1 137 137 LEU CD1 C 13 19.954 0.02 . 2 . . 1 . 133 L CD1 . 17080 1
1279 . 1 1 137 137 LEU CD2 C 13 24.290 0.02 . 2 . . 1 . 133 L CD2 . 17080 1
1280 . 1 1 137 137 LEU CG C 13 27.287 0.02 . 1 . . 1 . 133 L CG . 17080 1
1281 . 1 1 137 137 LEU N N 15 126.093 0.02 . 1 . . 1 . 133 L N . 17080 1
1282 . 1 1 138 138 MET H H 1 8.327 0.02 . 1 . . 1 . 134 M H . 17080 1
1283 . 1 1 138 138 MET HA H 1 4.920 0.02 . 1 . . 1 . 134 M HA . 17080 1
1284 . 1 1 138 138 MET HB2 H 1 1.823 0.02 . 2 . . 1 . 134 M HB2 . 17080 1
1285 . 1 1 138 138 MET HB3 H 1 2.005 0.02 . 2 . . 1 . 134 M HB3 . 17080 1
1286 . 1 1 138 138 MET HE1 H 1 1.956 0.02 . 1 . . 1 . 134 M QE . 17080 1
1287 . 1 1 138 138 MET HE2 H 1 1.956 0.02 . 1 . . 1 . 134 M QE . 17080 1
1288 . 1 1 138 138 MET HE3 H 1 1.956 0.02 . 1 . . 1 . 134 M QE . 17080 1
1289 . 1 1 138 138 MET HG2 H 1 2.316 0.02 . 2 . . 1 . 134 M HG2 . 17080 1
1290 . 1 1 138 138 MET HG3 H 1 2.508 0.02 . 2 . . 1 . 134 M HG3 . 17080 1
1291 . 1 1 138 138 MET C C 13 171.973 0.02 . 1 . . 1 . 134 M C . 17080 1
1292 . 1 1 138 138 MET CA C 13 52.797 0.02 . 1 . . 1 . 134 M CA . 17080 1
1293 . 1 1 138 138 MET CB C 13 35.788 0.02 . 1 . . 1 . 134 M CB . 17080 1
1294 . 1 1 138 138 MET CE C 13 17.450 0.02 . 1 . . 1 . 134 M CE . 17080 1
1295 . 1 1 138 138 MET CG C 13 30.609 0.02 . 1 . . 1 . 134 M CG . 17080 1
1296 . 1 1 138 138 MET N N 15 123.666 0.02 . 1 . . 1 . 134 M N . 17080 1
1297 . 1 1 139 139 ALA H H 1 8.835 0.02 . 1 . . 1 . 135 A H . 17080 1
1298 . 1 1 139 139 ALA HA H 1 4.336 0.02 . 1 . . 1 . 135 A HA . 17080 1
1299 . 1 1 139 139 ALA HB1 H 1 1.604 0.02 . 1 . . 1 . 135 A QB . 17080 1
1300 . 1 1 139 139 ALA HB2 H 1 1.604 0.02 . 1 . . 1 . 135 A QB . 17080 1
1301 . 1 1 139 139 ALA HB3 H 1 1.604 0.02 . 1 . . 1 . 135 A QB . 17080 1
1302 . 1 1 139 139 ALA C C 13 175.576 0.02 . 1 . . 1 . 135 A C . 17080 1
1303 . 1 1 139 139 ALA CA C 13 52.727 0.02 . 1 . . 1 . 135 A CA . 17080 1
1304 . 1 1 139 139 ALA CB C 13 19.724 0.02 . 1 . . 1 . 135 A CB . 17080 1
1305 . 1 1 139 139 ALA N N 15 128.004 0.02 . 1 . . 1 . 135 A N . 17080 1
1306 . 1 1 140 140 ALA H H 1 8.372 0.02 . 1 . . 1 . 136 A H . 17080 1
1307 . 1 1 140 140 ALA HA H 1 4.144 0.02 . 1 . . 1 . 136 A HA . 17080 1
1308 . 1 1 140 140 ALA HB1 H 1 1.302 0.02 . 1 . . 1 . 136 A QB . 17080 1
1309 . 1 1 140 140 ALA HB2 H 1 1.302 0.02 . 1 . . 1 . 136 A QB . 17080 1
1310 . 1 1 140 140 ALA HB3 H 1 1.302 0.02 . 1 . . 1 . 136 A QB . 17080 1
1311 . 1 1 140 140 ALA C C 13 175.910 0.02 . 1 . . 1 . 136 A C . 17080 1
1312 . 1 1 140 140 ALA CA C 13 53.930 0.02 . 1 . . 1 . 136 A CA . 17080 1
1313 . 1 1 140 140 ALA CB C 13 18.024 0.02 . 1 . . 1 . 136 A CB . 17080 1
1314 . 1 1 140 140 ALA N N 15 125.296 0.02 . 1 . . 1 . 136 A N . 17080 1
1315 . 1 1 141 141 ASP H H 1 8.277 0.02 . 1 . . 1 . 137 D H . 17080 1
1316 . 1 1 141 141 ASP HA H 1 4.510 0.02 . 1 . . 1 . 137 D HA . 17080 1
1317 . 1 1 141 141 ASP HB2 H 1 2.712 0.02 . 2 . . 1 . 137 D HB2 . 17080 1
1318 . 1 1 141 141 ASP HB3 H 1 2.769 0.02 . 2 . . 1 . 137 D HB3 . 17080 1
1319 . 1 1 141 141 ASP C C 13 174.143 0.02 . 1 . . 1 . 137 D C . 17080 1
1320 . 1 1 141 141 ASP CA C 13 54.496 0.02 . 1 . . 1 . 137 D CA . 17080 1
1321 . 1 1 141 141 ASP CB C 13 40.150 0.02 . 1 . . 1 . 137 D CB . 17080 1
1322 . 1 1 141 141 ASP N N 15 114.880 0.02 . 1 . . 1 . 137 D N . 17080 1
1323 . 1 1 142 142 CYS H H 1 8.206 0.02 . 1 . . 1 . 138 C H . 17080 1
1324 . 1 1 142 142 CYS HA H 1 4.278 0.02 . 1 . . 1 . 138 C HA . 17080 1
1325 . 1 1 142 142 CYS HB3 H 1 3.113 0.02 . 2 . . 1 . 138 C HB3 . 17080 1
1326 . 1 1 142 142 CYS C C 13 174.638 0.02 . 1 . . 1 . 138 C C . 17080 1
1327 . 1 1 142 142 CYS CA C 13 58.237 0.02 . 1 . . 1 . 138 C CA . 17080 1
1328 . 1 1 142 142 CYS CB C 13 26.949 0.02 . 1 . . 1 . 138 C CB . 17080 1
1329 . 1 1 142 142 CYS N N 15 112.730 0.02 . 1 . . 1 . 138 C N . 17080 1
1330 . 1 1 143 143 LYS H H 1 8.025 0.02 . 1 . . 1 . 139 K H . 17080 1
1331 . 1 1 143 143 LYS HA H 1 4.180 0.02 . 1 . . 1 . 139 K HA . 17080 1
1332 . 1 1 143 143 LYS HB2 H 1 1.854 0.02 . 2 . . 1 . 139 K HB2 . 17080 1
1333 . 1 1 143 143 LYS HB3 H 1 1.854 0.02 . 2 . . 1 . 139 K HB3 . 17080 1
1334 . 1 1 143 143 LYS HD2 H 1 1.741 0.02 . 2 . . 1 . 139 K HD2 . 17080 1
1335 . 1 1 143 143 LYS HD3 H 1 1.741 0.02 . 2 . . 1 . 139 K HD3 . 17080 1
1336 . 1 1 143 143 LYS HE2 H 1 3.087 0.02 . 2 . . 1 . 139 K HE2 . 17080 1
1337 . 1 1 143 143 LYS HE3 H 1 3.087 0.02 . 2 . . 1 . 139 K HE3 . 17080 1
1338 . 1 1 143 143 LYS HG2 H 1 1.548 0.02 . 2 . . 1 . 139 K HG2 . 17080 1
1339 . 1 1 143 143 LYS HG3 H 1 1.741 0.02 . 2 . . 1 . 139 K HG3 . 17080 1
1340 . 1 1 143 143 LYS C C 13 182.074 0.02 . 1 . . 1 . 139 K C . 17080 1
1341 . 1 1 143 143 LYS CA C 13 56.774 0.02 . 1 . . 1 . 139 K CA . 17080 1
1342 . 1 1 143 143 LYS CB C 13 31.700 0.02 . 1 . . 1 . 139 K CB . 17080 1
1343 . 1 1 143 143 LYS CD C 13 28.820 0.02 . 1 . . 1 . 139 K CD . 17080 1
1344 . 1 1 143 143 LYS CE C 13 42.526 0.02 . 1 . . 1 . 139 K CE . 17080 1
1345 . 1 1 143 143 LYS CG C 13 25.433 0.02 . 1 . . 1 . 139 K CG . 17080 1
1346 . 1 1 143 143 LYS N N 15 117.424 0.02 . 1 . . 1 . 139 K N . 17080 1
1347 . 1 1 144 144 GLN H H 1 7.353 0.02 . 1 . . 1 . 140 Q H . 17080 1
1348 . 1 1 144 144 GLN HA H 1 4.341 0.02 . 1 . . 1 . 140 Q HA . 17080 1
1349 . 1 1 144 144 GLN HB2 H 1 1.869 0.02 . 2 . . 1 . 140 Q HB2 . 17080 1
1350 . 1 1 144 144 GLN HB3 H 1 1.927 0.02 . 2 . . 1 . 140 Q HB3 . 17080 1
1351 . 1 1 144 144 GLN HE21 H 1 6.744 0.02 . 2 . . 1 . 140 Q HE21 . 17080 1
1352 . 1 1 144 144 GLN HE22 H 1 7.378 0.02 . 2 . . 1 . 140 Q HE22 . 17080 1
1353 . 1 1 144 144 GLN HG2 H 1 2.060 0.02 . 2 . . 1 . 140 Q HG2 . 17080 1
1354 . 1 1 144 144 GLN HG3 H 1 2.138 0.02 . 2 . . 1 . 140 Q HG3 . 17080 1
1355 . 1 1 144 144 GLN C C 13 172.137 0.02 . 1 . . 1 . 140 Q C . 17080 1
1356 . 1 1 144 144 GLN CA C 13 54.536 0.02 . 1 . . 1 . 140 Q CA . 17080 1
1357 . 1 1 144 144 GLN CB C 13 29.971 0.02 . 1 . . 1 . 140 Q CB . 17080 1
1358 . 1 1 144 144 GLN CG C 13 32.870 0.02 . 1 . . 1 . 140 Q CG . 17080 1
1359 . 1 1 144 144 GLN N N 15 118.073 0.02 . 1 . . 1 . 140 Q N . 17080 1
1360 . 1 1 144 144 GLN NE2 N 15 111.254 0.02 . 1 . . 1 . 140 Q NE2 . 17080 1
1361 . 1 1 145 145 ILE H H 1 8.681 0.02 . 1 . . 1 . 141 I H . 17080 1
1362 . 1 1 145 145 ILE HA H 1 4.090 0.02 . 1 . . 1 . 141 I HA . 17080 1
1363 . 1 1 145 145 ILE HB H 1 1.768 0.02 . 1 . . 1 . 141 I HB . 17080 1
1364 . 1 1 145 145 ILE HD11 H 1 0.787 0.02 . 1 . . 1 . 141 I QD1 . 17080 1
1365 . 1 1 145 145 ILE HD12 H 1 0.787 0.02 . 1 . . 1 . 141 I QD1 . 17080 1
1366 . 1 1 145 145 ILE HD13 H 1 0.787 0.02 . 1 . . 1 . 141 I QD1 . 17080 1
1367 . 1 1 145 145 ILE HG12 H 1 1.099 0.02 . 2 . . 1 . 141 I HG12 . 17080 1
1368 . 1 1 145 145 ILE HG13 H 1 1.488 0.02 . 2 . . 1 . 141 I HG13 . 17080 1
1369 . 1 1 145 145 ILE HG21 H 1 0.619 0.02 . 1 . . 1 . 141 I QG2 . 17080 1
1370 . 1 1 145 145 ILE HG22 H 1 0.619 0.02 . 1 . . 1 . 141 I QG2 . 17080 1
1371 . 1 1 145 145 ILE HG23 H 1 0.619 0.02 . 1 . . 1 . 141 I QG2 . 17080 1
1372 . 1 1 145 145 ILE C C 13 173.669 0.02 . 1 . . 1 . 141 I C . 17080 1
1373 . 1 1 145 145 ILE CA C 13 60.750 0.02 . 1 . . 1 . 141 I CA . 17080 1
1374 . 1 1 145 145 ILE CB C 13 37.393 0.02 . 1 . . 1 . 141 I CB . 17080 1
1375 . 1 1 145 145 ILE CD1 C 13 12.044 0.02 . 1 . . 1 . 141 I CD1 . 17080 1
1376 . 1 1 145 145 ILE CG1 C 13 27.872 0.02 . 1 . . 1 . 141 I CG1 . 17080 1
1377 . 1 1 145 145 ILE CG2 C 13 16.319 0.02 . 1 . . 1 . 141 I CG2 . 17080 1
1378 . 1 1 145 145 ILE N N 15 126.759 0.02 . 1 . . 1 . 141 I N . 17080 1
1379 . 1 1 146 146 ILE H H 1 8.327 0.02 . 1 . . 1 . 142 I H . 17080 1
1380 . 1 1 146 146 ILE HA H 1 3.500 0.02 . 1 . . 1 . 142 I HA . 17080 1
1381 . 1 1 146 146 ILE HB H 1 1.108 0.02 . 1 . . 1 . 142 I HB . 17080 1
1382 . 1 1 146 146 ILE HD11 H 1 0.160 0.02 . 1 . . 1 . 142 I QD1 . 17080 1
1383 . 1 1 146 146 ILE HD12 H 1 0.160 0.02 . 1 . . 1 . 142 I QD1 . 17080 1
1384 . 1 1 146 146 ILE HD13 H 1 0.160 0.02 . 1 . . 1 . 142 I QD1 . 17080 1
1385 . 1 1 146 146 ILE HG12 H 1 0.784 0.02 . 2 . . 1 . 142 I HG12 . 17080 1
1386 . 1 1 146 146 ILE HG13 H 1 0.406 0.02 . 2 . . 1 . 142 I HG13 . 17080 1
1387 . 1 1 146 146 ILE HG21 H 1 0.060 0.02 . 1 . . 1 . 142 I QG2 . 17080 1
1388 . 1 1 146 146 ILE HG22 H 1 0.060 0.02 . 1 . . 1 . 142 I QG2 . 17080 1
1389 . 1 1 146 146 ILE HG23 H 1 0.060 0.02 . 1 . . 1 . 142 I QG2 . 17080 1
1390 . 1 1 146 146 ILE C C 13 173.275 0.02 . 1 . . 1 . 142 I C . 17080 1
1391 . 1 1 146 146 ILE CA C 13 61.745 0.02 . 1 . . 1 . 142 I CA . 17080 1
1392 . 1 1 146 146 ILE CB C 13 36.822 0.02 . 1 . . 1 . 142 I CB . 17080 1
1393 . 1 1 146 146 ILE CD1 C 13 11.949 0.02 . 1 . . 1 . 142 I CD1 . 17080 1
1394 . 1 1 146 146 ILE CG1 C 13 27.138 0.02 . 1 . . 1 . 142 I CG1 . 17080 1
1395 . 1 1 146 146 ILE CG2 C 13 15.745 0.02 . 1 . . 1 . 142 I CG2 . 17080 1
1396 . 1 1 146 146 ILE N N 15 129.279 0.02 . 1 . . 1 . 142 I N . 17080 1
1397 . 1 1 147 147 ALA H H 1 7.432 0.02 . 1 . . 1 . 143 A H . 17080 1
1398 . 1 1 147 147 ALA HA H 1 4.032 0.02 . 1 . . 1 . 143 A HA . 17080 1
1399 . 1 1 147 147 ALA HB1 H 1 0.577 0.02 . 1 . . 1 . 143 A QB . 17080 1
1400 . 1 1 147 147 ALA HB2 H 1 0.577 0.02 . 1 . . 1 . 143 A QB . 17080 1
1401 . 1 1 147 147 ALA HB3 H 1 0.577 0.02 . 1 . . 1 . 143 A QB . 17080 1
1402 . 1 1 147 147 ALA C C 13 171.376 0.02 . 1 . . 1 . 143 A C . 17080 1
1403 . 1 1 147 147 ALA CA C 13 51.603 0.02 . 1 . . 1 . 143 A CA . 17080 1
1404 . 1 1 147 147 ALA CB C 13 20.331 0.02 . 1 . . 1 . 143 A CB . 17080 1
1405 . 1 1 147 147 ALA N N 15 117.935 0.02 . 1 . . 1 . 143 A N . 17080 1
1406 . 1 1 148 148 ASN H H 1 8.229 0.02 . 1 . . 1 . 144 N H . 17080 1
1407 . 1 1 148 148 ASN HA H 1 4.925 0.02 . 1 . . 1 . 144 N HA . 17080 1
1408 . 1 1 148 148 ASN HB2 H 1 2.691 0.02 . 2 . . 1 . 144 N HB2 . 17080 1
1409 . 1 1 148 148 ASN HB3 H 1 2.691 0.02 . 2 . . 1 . 144 N HB3 . 17080 1
1410 . 1 1 148 148 ASN HD21 H 1 6.633 0.02 . 2 . . 1 . 144 N HD21 . 17080 1
1411 . 1 1 148 148 ASN HD22 H 1 7.372 0.02 . 2 . . 1 . 144 N HD22 . 17080 1
1412 . 1 1 148 148 ASN C C 13 170.943 0.02 . 1 . . 1 . 144 N C . 17080 1
1413 . 1 1 148 148 ASN CA C 13 52.654 0.02 . 1 . . 1 . 144 N CA . 17080 1
1414 . 1 1 148 148 ASN CB C 13 37.971 0.02 . 1 . . 1 . 144 N CB . 17080 1
1415 . 1 1 148 148 ASN N N 15 119.731 0.02 . 1 . . 1 . 144 N N . 17080 1
1416 . 1 1 148 148 ASN ND2 N 15 111.623 0.02 . 1 . . 1 . 144 N ND2 . 17080 1
1417 . 1 1 149 149 HIS H H 1 8.844 0.02 . 1 . . 1 . 145 H H . 17080 1
1418 . 1 1 149 149 HIS HA H 1 4.927 0.02 . 1 . . 1 . 145 H HA . 17080 1
1419 . 1 1 149 149 HIS HB2 H 1 3.063 0.02 . 2 . . 1 . 145 H HB2 . 17080 1
1420 . 1 1 149 149 HIS HB3 H 1 3.063 0.02 . 2 . . 1 . 145 H HB3 . 17080 1
1421 . 1 1 149 149 HIS CA C 13 55.500 0.02 . 1 . . 1 . 145 H CA . 17080 1
1422 . 1 1 149 149 HIS CB C 13 30.300 0.02 . 1 . . 1 . 145 H CB . 17080 1
1423 . 1 1 149 149 HIS N N 15 125.327 0.02 . 1 . . 1 . 145 H N . 17080 1
1424 . 1 1 150 150 HIS H H 1 8.786 0.02 . 1 . . 1 . 146 H H . 17080 1
1425 . 1 1 150 150 HIS HA H 1 4.230 0.02 . 1 . . 1 . 146 H HA . 17080 1
1426 . 1 1 150 150 HIS HB2 H 1 3.304 0.02 . 2 . . 1 . 146 H HB2 . 17080 1
1427 . 1 1 150 150 HIS HB3 H 1 3.175 0.02 . 2 . . 1 . 146 H HB3 . 17080 1
1428 . 1 1 150 150 HIS HD2 H 1 7.185 0.02 . 1 . . 1 . 146 H HD2 . 17080 1
1429 . 1 1 150 150 HIS CA C 13 57.434 0.02 . 1 . . 1 . 146 H CA . 17080 1
1430 . 1 1 150 150 HIS CD2 C 13 118.973 0.02 . 1 . . 1 . 146 H CD2 . 17080 1
1431 . 1 1 150 150 HIS N N 15 126.099 0.02 . 1 . . 1 . 146 H N . 17080 1
1432 . 1 1 151 151 MET HA H 1 4.116 0.02 . 1 . . 1 . 147 M HA . 17080 1
1433 . 1 1 151 151 MET HE1 H 1 2.033 0.02 . 1 . . 1 . 147 M QE . 17080 1
1434 . 1 1 151 151 MET HE2 H 1 2.033 0.02 . 1 . . 1 . 147 M QE . 17080 1
1435 . 1 1 151 151 MET HE3 H 1 2.033 0.02 . 1 . . 1 . 147 M QE . 17080 1
1436 . 1 1 151 151 MET HG2 H 1 2.323 0.02 . 2 . . 1 . 147 M HG2 . 17080 1
1437 . 1 1 151 151 MET HG3 H 1 2.322 0.02 . 2 . . 1 . 147 M HG3 . 17080 1
1438 . 1 1 151 151 MET C C 13 175.180 0.02 . 1 . . 1 . 147 M C . 17080 1
1439 . 1 1 151 151 MET CA C 13 58.237 0.02 . 1 . . 1 . 147 M CA . 17080 1
1440 . 1 1 151 151 MET CE C 13 15.664 0.02 . 1 . . 1 . 147 M CE . 17080 1
1441 . 1 1 151 151 MET CG C 13 33.355 0.02 . 1 . . 1 . 147 M CG . 17080 1
1442 . 1 1 152 152 GLN H H 1 9.936 0.02 . 1 . . 1 . 148 Q H . 17080 1
1443 . 1 1 152 152 GLN HA H 1 4.200 0.02 . 1 . . 1 . 148 Q HA . 17080 1
1444 . 1 1 152 152 GLN HB2 H 1 2.116 0.02 . 2 . . 1 . 148 Q HB2 . 17080 1
1445 . 1 1 152 152 GLN HB3 H 1 2.157 0.02 . 2 . . 1 . 148 Q HB3 . 17080 1
1446 . 1 1 152 152 GLN HE21 H 1 7.419 0.02 . 2 . . 1 . 148 Q HE21 . 17080 1
1447 . 1 1 152 152 GLN HE22 H 1 6.833 0.02 . 2 . . 1 . 148 Q HE22 . 17080 1
1448 . 1 1 152 152 GLN HG2 H 1 2.427 0.02 . 2 . . 1 . 148 Q HG2 . 17080 1
1449 . 1 1 152 152 GLN HG3 H 1 2.427 0.02 . 2 . . 1 . 148 Q HG3 . 17080 1
1450 . 1 1 152 152 GLN C C 13 173.063 0.02 . 1 . . 1 . 148 Q C . 17080 1
1451 . 1 1 152 152 GLN CA C 13 57.820 0.02 . 1 . . 1 . 148 Q CA . 17080 1
1452 . 1 1 152 152 GLN CB C 13 27.900 0.02 . 1 . . 1 . 148 Q CB . 17080 1
1453 . 1 1 152 152 GLN CG C 13 33.403 0.02 . 1 . . 1 . 148 Q CG . 17080 1
1454 . 1 1 152 152 GLN N N 15 117.777 0.02 . 1 . . 1 . 148 Q N . 17080 1
1455 . 1 1 152 152 GLN NE2 N 15 112.005 0.02 . 1 . . 1 . 148 Q NE2 . 17080 1
1456 . 1 1 153 153 SER H H 1 8.119 0.02 . 1 . . 1 . 149 S H . 17080 1
1457 . 1 1 153 153 SER HA H 1 4.700 0.02 . 1 . . 1 . 149 S HA . 17080 1
1458 . 1 1 153 153 SER HB2 H 1 3.856 0.02 . 2 . . 1 . 149 S HB2 . 17080 1
1459 . 1 1 153 153 SER HB3 H 1 3.856 0.02 . 2 . . 1 . 149 S HB3 . 17080 1
1460 . 1 1 153 153 SER C C 13 170.883 0.02 . 1 . . 1 . 149 S C . 17080 1
1461 . 1 1 153 153 SER CA C 13 58.310 0.02 . 1 . . 1 . 149 S CA . 17080 1
1462 . 1 1 153 153 SER CB C 13 64.880 0.02 . 1 . . 1 . 149 S CB . 17080 1
1463 . 1 1 153 153 SER N N 15 112.973 0.02 . 1 . . 1 . 149 S N . 17080 1
1464 . 1 1 154 154 ILE H H 1 7.467 0.02 . 1 . . 1 . 150 I H . 17080 1
1465 . 1 1 154 154 ILE HA H 1 5.190 0.02 . 1 . . 1 . 150 I HA . 17080 1
1466 . 1 1 154 154 ILE HB H 1 1.781 0.02 . 1 . . 1 . 150 I HB . 17080 1
1467 . 1 1 154 154 ILE HD11 H 1 0.859 0.02 . 1 . . 1 . 150 I QD1 . 17080 1
1468 . 1 1 154 154 ILE HD12 H 1 0.859 0.02 . 1 . . 1 . 150 I QD1 . 17080 1
1469 . 1 1 154 154 ILE HD13 H 1 0.859 0.02 . 1 . . 1 . 150 I QD1 . 17080 1
1470 . 1 1 154 154 ILE HG12 H 1 2.221 0.02 . 2 . . 1 . 150 I HG12 . 17080 1
1471 . 1 1 154 154 ILE HG13 H 1 2.221 0.02 . 2 . . 1 . 150 I HG13 . 17080 1
1472 . 1 1 154 154 ILE HG21 H 1 1.181 0.02 . 1 . . 1 . 150 I QG2 . 17080 1
1473 . 1 1 154 154 ILE HG22 H 1 1.181 0.02 . 1 . . 1 . 150 I QG2 . 17080 1
1474 . 1 1 154 154 ILE HG23 H 1 1.181 0.02 . 1 . . 1 . 150 I QG2 . 17080 1
1475 . 1 1 154 154 ILE C C 13 173.626 0.02 . 1 . . 1 . 150 I C . 17080 1
1476 . 1 1 154 154 ILE CA C 13 60.176 0.02 . 1 . . 1 . 150 I CA . 17080 1
1477 . 1 1 154 154 ILE CB C 13 37.400 0.02 . 1 . . 1 . 150 I CB . 17080 1
1478 . 1 1 154 154 ILE CD1 C 13 14.000 0.02 . 1 . . 1 . 150 I CD1 . 17080 1
1479 . 1 1 154 154 ILE CG1 C 13 27.667 0.02 . 1 . . 1 . 150 I CG1 . 17080 1
1480 . 1 1 154 154 ILE CG2 C 13 16.880 0.02 . 1 . . 1 . 150 I CG2 . 17080 1
1481 . 1 1 154 154 ILE N N 15 122.888 0.02 . 1 . . 1 . 150 I N . 17080 1
1482 . 1 1 155 155 SER H H 1 8.463 0.02 . 1 . . 1 . 151 S H . 17080 1
1483 . 1 1 155 155 SER HA H 1 4.153 0.02 . 1 . . 1 . 151 S HA . 17080 1
1484 . 1 1 155 155 SER HB2 H 1 3.351 0.02 . 2 . . 1 . 151 S HB2 . 17080 1
1485 . 1 1 155 155 SER HB3 H 1 3.738 0.02 . 2 . . 1 . 151 S HB3 . 17080 1
1486 . 1 1 155 155 SER CA C 13 58.299 0.02 . 1 . . 1 . 151 S CA . 17080 1
1487 . 1 1 155 155 SER CB C 13 64.761 0.02 . 1 . . 1 . 151 S CB . 17080 1
1488 . 1 1 155 155 SER N N 15 118.591 0.02 . 1 . . 1 . 151 S N . 17080 1
1489 . 1 1 156 156 PHE HA H 1 4.240 0.02 . 1 . . 1 . 152 F HA . 17080 1
1490 . 1 1 156 156 PHE HB2 H 1 3.224 0.02 . 2 . . 1 . 152 F HB2 . 17080 1
1491 . 1 1 156 156 PHE HB3 H 1 3.224 0.02 . 2 . . 1 . 152 F HB3 . 17080 1
1492 . 1 1 156 156 PHE HD1 H 1 7.205 0.02 . 3 . . 1 . 152 F QD . 17080 1
1493 . 1 1 156 156 PHE HD2 H 1 7.205 0.02 . 3 . . 1 . 152 F QD . 17080 1
1494 . 1 1 156 156 PHE C C 13 169.688 0.02 . 1 . . 1 . 152 F C . 17080 1
1495 . 1 1 156 156 PHE CD1 C 13 131.200 0.02 . 3 . . 1 . 152 F CD1 . 17080 1
1496 . 1 1 156 156 PHE CD2 C 13 131.200 0.02 . 3 . . 1 . 152 F CD2 . 17080 1
1497 . 1 1 157 157 ALA H H 1 8.568 0.02 . 1 . . 1 . 153 A H . 17080 1
1498 . 1 1 157 157 ALA HA H 1 5.419 0.02 . 1 . . 1 . 153 A HA . 17080 1
1499 . 1 1 157 157 ALA HB1 H 1 1.256 0.02 . 1 . . 1 . 153 A QB . 17080 1
1500 . 1 1 157 157 ALA HB2 H 1 1.256 0.02 . 1 . . 1 . 153 A QB . 17080 1
1501 . 1 1 157 157 ALA HB3 H 1 1.256 0.02 . 1 . . 1 . 153 A QB . 17080 1
1502 . 1 1 157 157 ALA C C 13 171.519 0.02 . 1 . . 1 . 153 A C . 17080 1
1503 . 1 1 157 157 ALA CA C 13 50.501 0.02 . 1 . . 1 . 153 A CA . 17080 1
1504 . 1 1 157 157 ALA CB C 13 19.598 0.02 . 1 . . 1 . 153 A CB . 17080 1
1505 . 1 1 157 157 ALA N N 15 127.566 0.02 . 1 . . 1 . 153 A N . 17080 1
1506 . 1 1 158 158 SER H H 1 9.527 0.02 . 1 . . 1 . 154 S H . 17080 1
1507 . 1 1 158 158 SER HA H 1 4.700 0.02 . 1 . . 1 . 154 S HA . 17080 1
1508 . 1 1 158 158 SER HB2 H 1 3.579 0.02 . 2 . . 1 . 154 S HB2 . 17080 1
1509 . 1 1 158 158 SER HB3 H 1 3.873 0.02 . 2 . . 1 . 154 S HB3 . 17080 1
1510 . 1 1 158 158 SER C C 13 174.263 0.02 . 1 . . 1 . 154 S C . 17080 1
1511 . 1 1 158 158 SER CA C 13 56.595 0.02 . 1 . . 1 . 154 S CA . 17080 1
1512 . 1 1 158 158 SER CB C 13 66.538 0.02 . 1 . . 1 . 154 S CB . 17080 1
1513 . 1 1 158 158 SER N N 15 114.599 0.02 . 1 . . 1 . 154 S N . 17080 1
1514 . 1 1 159 159 GLY H H 1 8.388 0.02 . 1 . . 1 . 155 G H . 17080 1
1515 . 1 1 159 159 GLY HA2 H 1 4.414 0.02 . 2 . . 1 . 155 G HA2 . 17080 1
1516 . 1 1 159 159 GLY HA3 H 1 4.414 0.02 . 2 . . 1 . 155 G HA3 . 17080 1
1517 . 1 1 159 159 GLY C C 13 171.159 0.02 . 1 . . 1 . 155 G C . 17080 1
1518 . 1 1 159 159 GLY CA C 13 44.382 0.02 . 1 . . 1 . 155 G CA . 17080 1
1519 . 1 1 159 159 GLY N N 15 109.607 0.02 . 1 . . 1 . 155 G N . 17080 1
1520 . 1 1 160 160 GLY H H 1 8.389 0.02 . 1 . . 1 . 156 G H . 17080 1
1521 . 1 1 160 160 GLY HA2 H 1 3.860 0.02 . 2 . . 1 . 156 G HA2 . 17080 1
1522 . 1 1 160 160 GLY HA3 H 1 3.860 0.02 . 2 . . 1 . 156 G HA3 . 17080 1
1523 . 1 1 160 160 GLY C C 13 172.124 0.02 . 1 . . 1 . 156 G C . 17080 1
1524 . 1 1 160 160 GLY CA C 13 44.940 0.02 . 1 . . 1 . 156 G CA . 17080 1
1525 . 1 1 160 160 GLY N N 15 106.044 0.02 . 1 . . 1 . 156 G N . 17080 1
1526 . 1 1 161 161 ASP H H 1 7.809 0.02 . 1 . . 1 . 157 D H . 17080 1
1527 . 1 1 161 161 ASP HA H 1 4.710 0.02 . 1 . . 1 . 157 D HA . 17080 1
1528 . 1 1 161 161 ASP HB2 H 1 2.750 0.02 . 2 . . 1 . 157 D HB2 . 17080 1
1529 . 1 1 161 161 ASP HB3 H 1 2.650 0.02 . 2 . . 1 . 157 D HB3 . 17080 1
1530 . 1 1 161 161 ASP CA C 13 52.865 0.02 . 1 . . 1 . 157 D CA . 17080 1
1531 . 1 1 161 161 ASP CB C 13 40.238 0.02 . 1 . . 1 . 157 D CB . 17080 1
1532 . 1 1 161 161 ASP N N 15 121.752 0.02 . 1 . . 1 . 157 D N . 17080 1
1533 . 1 1 162 162 PRO HA H 1 4.262 0.02 . 1 . . 1 . 158 P HA . 17080 1
1534 . 1 1 162 162 PRO HB2 H 1 2.369 0.02 . 2 . . 1 . 158 P HB2 . 17080 1
1535 . 1 1 162 162 PRO HB3 H 1 2.369 0.02 . 2 . . 1 . 158 P HB3 . 17080 1
1536 . 1 1 162 162 PRO HD2 H 1 3.843 0.02 . 2 . . 1 . 158 P HD2 . 17080 1
1537 . 1 1 162 162 PRO HD3 H 1 3.684 0.02 . 2 . . 1 . 158 P HD3 . 17080 1
1538 . 1 1 162 162 PRO HG2 H 1 1.916 0.02 . 2 . . 1 . 158 P HG2 . 17080 1
1539 . 1 1 162 162 PRO HG3 H 1 1.916 0.02 . 2 . . 1 . 158 P HG3 . 17080 1
1540 . 1 1 162 162 PRO C C 13 175.425 0.02 . 1 . . 1 . 158 P C . 17080 1
1541 . 1 1 162 162 PRO CA C 13 65.499 0.02 . 1 . . 1 . 158 P CA . 17080 1
1542 . 1 1 162 162 PRO CB C 13 31.400 0.02 . 1 . . 1 . 158 P CB . 17080 1
1543 . 1 1 162 162 PRO CD C 13 50.489 0.02 . 1 . . 1 . 158 P CD . 17080 1
1544 . 1 1 162 162 PRO CG C 13 26.691 0.02 . 1 . . 1 . 158 P CG . 17080 1
1545 . 1 1 163 163 ASP H H 1 8.259 0.02 . 1 . . 1 . 159 D H . 17080 1
1546 . 1 1 163 163 ASP HA H 1 4.720 0.02 . 1 . . 1 . 159 D HA . 17080 1
1547 . 1 1 163 163 ASP HB2 H 1 2.755 0.02 . 2 . . 1 . 159 D HB2 . 17080 1
1548 . 1 1 163 163 ASP HB3 H 1 2.755 0.02 . 2 . . 1 . 159 D HB3 . 17080 1
1549 . 1 1 163 163 ASP C C 13 174.214 0.02 . 1 . . 1 . 159 D C . 17080 1
1550 . 1 1 163 163 ASP CA C 13 54.843 0.02 . 1 . . 1 . 159 D CA . 17080 1
1551 . 1 1 163 163 ASP CB C 13 40.594 0.02 . 1 . . 1 . 159 D CB . 17080 1
1552 . 1 1 163 163 ASP N N 15 113.814 0.02 . 1 . . 1 . 159 D N . 17080 1
1553 . 1 1 164 164 THR H H 1 8.083 0.02 . 1 . . 1 . 160 T H . 17080 1
1554 . 1 1 164 164 THR HA H 1 4.945 0.02 . 1 . . 1 . 160 T HA . 17080 1
1555 . 1 1 164 164 THR HB H 1 4.710 0.02 . 1 . . 1 . 160 T HB . 17080 1
1556 . 1 1 164 164 THR HG21 H 1 1.061 0.02 . 1 . . 1 . 160 T QG2 . 17080 1
1557 . 1 1 164 164 THR HG22 H 1 1.061 0.02 . 1 . . 1 . 160 T QG2 . 17080 1
1558 . 1 1 164 164 THR HG23 H 1 1.061 0.02 . 1 . . 1 . 160 T QG2 . 17080 1
1559 . 1 1 164 164 THR C C 13 173.124 0.02 . 1 . . 1 . 160 T C . 17080 1
1560 . 1 1 164 164 THR CA C 13 59.040 0.02 . 1 . . 1 . 160 T CA . 17080 1
1561 . 1 1 164 164 THR CB C 13 68.865 0.02 . 1 . . 1 . 160 T CB . 17080 1
1562 . 1 1 164 164 THR CG2 C 13 22.141 0.02 . 1 . . 1 . 160 T CG2 . 17080 1
1563 . 1 1 164 164 THR N N 15 113.510 0.02 . 1 . . 1 . 160 T N . 17080 1
1564 . 1 1 165 165 ALA H H 1 7.523 0.02 . 1 . . 1 . 161 A H . 17080 1
1565 . 1 1 165 165 ALA HA H 1 3.938 0.02 . 1 . . 1 . 161 A HA . 17080 1
1566 . 1 1 165 165 ALA HB1 H 1 1.457 0.02 . 1 . . 1 . 161 A QB . 17080 1
1567 . 1 1 165 165 ALA HB2 H 1 1.457 0.02 . 1 . . 1 . 161 A QB . 17080 1
1568 . 1 1 165 165 ALA HB3 H 1 1.457 0.02 . 1 . . 1 . 161 A QB . 17080 1
1569 . 1 1 165 165 ALA C C 13 176.788 0.02 . 1 . . 1 . 161 A C . 17080 1
1570 . 1 1 165 165 ALA CA C 13 55.155 0.02 . 1 . . 1 . 161 A CA . 17080 1
1571 . 1 1 165 165 ALA CB C 13 18.593 0.02 . 1 . . 1 . 161 A CB . 17080 1
1572 . 1 1 165 165 ALA N N 15 123.882 0.02 . 1 . . 1 . 161 A N . 17080 1
1573 . 1 1 166 166 GLU HG2 H 1 1.934 0.02 . 2 . . 1 . 162 E HG2 . 17080 1
1574 . 1 1 166 166 GLU HG3 H 1 2.083 0.02 . 2 . . 1 . 162 E HG3 . 17080 1
1575 . 1 1 166 166 GLU C C 13 174.479 0.02 . 1 . . 1 . 162 E C . 17080 1
1576 . 1 1 166 166 GLU CG C 13 36.431 0.02 . 1 . . 1 . 162 E CG . 17080 1
1577 . 1 1 167 167 TYR H H 1 7.280 0.02 . 1 . . 1 . 163 Y H . 17080 1
1578 . 1 1 167 167 TYR HA H 1 5.422 0.02 . 1 . . 1 . 163 Y HA . 17080 1
1579 . 1 1 167 167 TYR HB2 H 1 2.710 0.02 . 2 . . 1 . 163 Y HB2 . 17080 1
1580 . 1 1 167 167 TYR HB3 H 1 2.809 0.02 . 2 . . 1 . 163 Y HB3 . 17080 1
1581 . 1 1 167 167 TYR HE1 H 1 6.719 0.02 . 3 . . 1 . 163 Y QE . 17080 1
1582 . 1 1 167 167 TYR HE2 H 1 6.719 0.02 . 3 . . 1 . 163 Y QE . 17080 1
1583 . 1 1 167 167 TYR C C 13 173.366 0.02 . 1 . . 1 . 163 Y C . 17080 1
1584 . 1 1 167 167 TYR CA C 13 57.434 0.02 . 1 . . 1 . 163 Y CA . 17080 1
1585 . 1 1 167 167 TYR CB C 13 38.618 0.02 . 1 . . 1 . 163 Y CB . 17080 1
1586 . 1 1 167 167 TYR CE1 C 13 119.510 0.02 . 3 . . 1 . 163 Y CE1 . 17080 1
1587 . 1 1 167 167 TYR CE2 C 13 119.510 0.02 . 3 . . 1 . 163 Y CE2 . 17080 1
1588 . 1 1 167 167 TYR N N 15 121.728 0.02 . 1 . . 1 . 163 Y N . 17080 1
1589 . 1 1 168 168 VAL H H 1 9.036 0.02 . 1 . . 1 . 164 V H . 17080 1
1590 . 1 1 168 168 VAL HA H 1 4.580 0.02 . 1 . . 1 . 164 V HA . 17080 1
1591 . 1 1 168 168 VAL HB H 1 1.730 0.02 . 1 . . 1 . 164 V HB . 17080 1
1592 . 1 1 168 168 VAL HG11 H 1 0.932 0.02 . 1 . . 1 . 164 V QG1 . 17080 1
1593 . 1 1 168 168 VAL HG12 H 1 0.932 0.02 . 1 . . 1 . 164 V QG1 . 17080 1
1594 . 1 1 168 168 VAL HG13 H 1 0.932 0.02 . 1 . . 1 . 164 V QG1 . 17080 1
1595 . 1 1 168 168 VAL HG21 H 1 0.789 0.02 . 1 . . 1 . 164 V QG2 . 17080 1
1596 . 1 1 168 168 VAL HG22 H 1 0.789 0.02 . 1 . . 1 . 164 V QG2 . 17080 1
1597 . 1 1 168 168 VAL HG23 H 1 0.789 0.02 . 1 . . 1 . 164 V QG2 . 17080 1
1598 . 1 1 168 168 VAL C C 13 170.186 0.02 . 1 . . 1 . 164 V C . 17080 1
1599 . 1 1 168 168 VAL CA C 13 60.640 0.02 . 1 . . 1 . 164 V CA . 17080 1
1600 . 1 1 168 168 VAL CB C 13 35.319 0.02 . 1 . . 1 . 164 V CB . 17080 1
1601 . 1 1 168 168 VAL CG1 C 13 22.571 0.02 . 2 . . 1 . 164 V CG1 . 17080 1
1602 . 1 1 168 168 VAL CG2 C 13 22.245 0.02 . 2 . . 1 . 164 V CG2 . 17080 1
1603 . 1 1 168 168 VAL N N 15 121.160 0.02 . 1 . . 1 . 164 V N . 17080 1
1604 . 1 1 169 169 ALA H H 1 9.231 0.02 . 1 . . 1 . 165 A H . 17080 1
1605 . 1 1 169 169 ALA HA H 1 6.004 0.02 . 1 . . 1 . 165 A HA . 17080 1
1606 . 1 1 169 169 ALA HB1 H 1 1.152 0.02 . 1 . . 1 . 165 A QB . 17080 1
1607 . 1 1 169 169 ALA HB2 H 1 1.152 0.02 . 1 . . 1 . 165 A QB . 17080 1
1608 . 1 1 169 169 ALA HB3 H 1 1.152 0.02 . 1 . . 1 . 165 A QB . 17080 1
1609 . 1 1 169 169 ALA C C 13 173.487 0.02 . 1 . . 1 . 165 A C . 17080 1
1610 . 1 1 169 169 ALA CA C 13 48.797 0.02 . 1 . . 1 . 165 A CA . 17080 1
1611 . 1 1 169 169 ALA CB C 13 23.708 0.02 . 1 . . 1 . 165 A CB . 17080 1
1612 . 1 1 169 169 ALA N N 15 128.122 0.02 . 1 . . 1 . 165 A N . 17080 1
1613 . 1 1 170 170 TYR H H 1 8.648 0.02 . 1 . . 1 . 166 Y H . 17080 1
1614 . 1 1 170 170 TYR HA H 1 5.641 0.02 . 1 . . 1 . 166 Y HA . 17080 1
1615 . 1 1 170 170 TYR HB2 H 1 2.700 0.02 . 2 . . 1 . 166 Y HB2 . 17080 1
1616 . 1 1 170 170 TYR HB3 H 1 2.780 0.02 . 2 . . 1 . 166 Y HB3 . 17080 1
1617 . 1 1 170 170 TYR HD1 H 1 6.661 0.02 . 3 . . 1 . 166 Y QD . 17080 1
1618 . 1 1 170 170 TYR HD2 H 1 6.661 0.02 . 3 . . 1 . 166 Y QD . 17080 1
1619 . 1 1 170 170 TYR HE1 H 1 6.387 0.02 . 3 . . 1 . 166 Y QE . 17080 1
1620 . 1 1 170 170 TYR HE2 H 1 6.387 0.02 . 3 . . 1 . 166 Y QE . 17080 1
1621 . 1 1 170 170 TYR C C 13 169.944 0.02 . 1 . . 1 . 166 Y C . 17080 1
1622 . 1 1 170 170 TYR CA C 13 56.199 0.02 . 1 . . 1 . 166 Y CA . 17080 1
1623 . 1 1 170 170 TYR CB C 13 41.110 0.02 . 1 . . 1 . 166 Y CB . 17080 1
1624 . 1 1 170 170 TYR CD1 C 13 131.649 0.02 . 3 . . 1 . 166 Y CD1 . 17080 1
1625 . 1 1 170 170 TYR CD2 C 13 131.649 0.02 . 3 . . 1 . 166 Y CD2 . 17080 1
1626 . 1 1 170 170 TYR CE1 C 13 116.958 0.02 . 3 . . 1 . 166 Y CE1 . 17080 1
1627 . 1 1 170 170 TYR CE2 C 13 116.958 0.02 . 3 . . 1 . 166 Y CE2 . 17080 1
1628 . 1 1 170 170 TYR N N 15 115.820 0.02 . 1 . . 1 . 166 Y N . 17080 1
1629 . 1 1 171 171 VAL H H 1 8.670 0.02 . 1 . . 1 . 167 V H . 17080 1
1630 . 1 1 171 171 VAL HA H 1 5.052 0.02 . 1 . . 1 . 167 V HA . 17080 1
1631 . 1 1 171 171 VAL HB H 1 2.261 0.02 . 1 . . 1 . 167 V HB . 17080 1
1632 . 1 1 171 171 VAL HG11 H 1 0.917 0.02 . 1 . . 1 . 167 V QG1 . 17080 1
1633 . 1 1 171 171 VAL HG12 H 1 0.917 0.02 . 1 . . 1 . 167 V QG1 . 17080 1
1634 . 1 1 171 171 VAL HG13 H 1 0.917 0.02 . 1 . . 1 . 167 V QG1 . 17080 1
1635 . 1 1 171 171 VAL HG21 H 1 0.924 0.02 . 1 . . 1 . 167 V QG2 . 17080 1
1636 . 1 1 171 171 VAL HG22 H 1 0.924 0.02 . 1 . . 1 . 167 V QG2 . 17080 1
1637 . 1 1 171 171 VAL HG23 H 1 0.924 0.02 . 1 . . 1 . 167 V QG2 . 17080 1
1638 . 1 1 171 171 VAL C C 13 171.428 0.02 . 1 . . 1 . 167 V C . 17080 1
1639 . 1 1 171 171 VAL CA C 13 61.527 0.02 . 1 . . 1 . 167 V CA . 17080 1
1640 . 1 1 171 171 VAL CB C 13 31.135 0.02 . 1 . . 1 . 167 V CB . 17080 1
1641 . 1 1 171 171 VAL CG1 C 13 21.580 0.02 . 2 . . 1 . 167 V CG1 . 17080 1
1642 . 1 1 171 171 VAL CG2 C 13 21.072 0.02 . 2 . . 1 . 167 V CG2 . 17080 1
1643 . 1 1 171 171 VAL N N 15 122.363 0.02 . 1 . . 1 . 167 V N . 17080 1
1644 . 1 1 172 172 ALA H H 1 8.823 0.02 . 1 . . 1 . 168 A H . 17080 1
1645 . 1 1 172 172 ALA HA H 1 5.414 0.02 . 1 . . 1 . 168 A HA . 17080 1
1646 . 1 1 172 172 ALA HB1 H 1 1.160 0.02 . 1 . . 1 . 168 A QB . 17080 1
1647 . 1 1 172 172 ALA HB2 H 1 1.160 0.02 . 1 . . 1 . 168 A QB . 17080 1
1648 . 1 1 172 172 ALA HB3 H 1 1.160 0.02 . 1 . . 1 . 168 A QB . 17080 1
1649 . 1 1 172 172 ALA C C 13 172.760 0.02 . 1 . . 1 . 168 A C . 17080 1
1650 . 1 1 172 172 ALA CA C 13 49.356 0.02 . 1 . . 1 . 168 A CA . 17080 1
1651 . 1 1 172 172 ALA CB C 13 23.726 0.02 . 1 . . 1 . 168 A CB . 17080 1
1652 . 1 1 172 172 ALA N N 15 129.214 0.02 . 1 . . 1 . 168 A N . 17080 1
1653 . 1 1 173 173 LYS H H 1 7.268 0.02 . 1 . . 1 . 169 K H . 17080 1
1654 . 1 1 173 173 LYS HA H 1 5.008 0.02 . 1 . . 1 . 169 K HA . 17080 1
1655 . 1 1 173 173 LYS HB2 H 1 1.652 0.02 . 2 . . 1 . 169 K HB2 . 17080 1
1656 . 1 1 173 173 LYS HB3 H 1 1.652 0.02 . 2 . . 1 . 169 K HB3 . 17080 1
1657 . 1 1 173 173 LYS HE2 H 1 3.042 0.02 . 2 . . 1 . 169 K HE2 . 17080 1
1658 . 1 1 173 173 LYS HE3 H 1 3.042 0.02 . 2 . . 1 . 169 K HE3 . 17080 1
1659 . 1 1 173 173 LYS C C 13 173.371 0.02 . 1 . . 1 . 169 K C . 17080 1
1660 . 1 1 173 173 LYS CA C 13 54.989 0.02 . 1 . . 1 . 169 K CA . 17080 1
1661 . 1 1 173 173 LYS CB C 13 28.771 0.02 . 1 . . 1 . 169 K CB . 17080 1
1662 . 1 1 173 173 LYS CE C 13 38.544 0.02 . 1 . . 1 . 169 K CE . 17080 1
1663 . 1 1 173 173 LYS N N 15 115.283 0.02 . 1 . . 1 . 169 K N . 17080 1
1664 . 1 1 174 174 ASP H H 1 8.103 0.02 . 1 . . 1 . 170 D H . 17080 1
1665 . 1 1 174 174 ASP HA H 1 5.153 0.02 . 1 . . 1 . 170 D HA . 17080 1
1666 . 1 1 174 174 ASP HB2 H 1 3.183 0.02 . 2 . . 1 . 170 D HB2 . 17080 1
1667 . 1 1 174 174 ASP HB3 H 1 3.182 0.02 . 2 . . 1 . 170 D HB3 . 17080 1
1668 . 1 1 174 174 ASP CA C 13 53.126 0.02 . 1 . . 1 . 170 D CA . 17080 1
1669 . 1 1 174 174 ASP CB C 13 41.659 0.02 . 1 . . 1 . 170 D CB . 17080 1
1670 . 1 1 174 174 ASP N N 15 119.025 0.02 . 1 . . 1 . 170 D N . 17080 1
1671 . 1 1 175 175 PRO HA H 1 4.500 0.02 . 1 . . 1 . 171 P HA . 17080 1
1672 . 1 1 175 175 PRO HB2 H 1 1.971 0.02 . 2 . . 1 . 171 P HB2 . 17080 1
1673 . 1 1 175 175 PRO HB3 H 1 2.510 0.02 . 2 . . 1 . 171 P HB3 . 17080 1
1674 . 1 1 175 175 PRO C C 13 174.638 0.02 . 1 . . 1 . 171 P C . 17080 1
1675 . 1 1 175 175 PRO CA C 13 64.696 0.02 . 1 . . 1 . 171 P CA . 17080 1
1676 . 1 1 175 175 PRO CB C 13 31.878 0.02 . 1 . . 1 . 171 P CB . 17080 1
1677 . 1 1 176 176 VAL H H 1 8.545 0.02 . 1 . . 1 . 172 V H . 17080 1
1678 . 1 1 176 176 VAL HA H 1 4.023 0.02 . 1 . . 1 . 172 V HA . 17080 1
1679 . 1 1 176 176 VAL HB H 1 2.137 0.02 . 1 . . 1 . 172 V HB . 17080 1
1680 . 1 1 176 176 VAL HG11 H 1 1.036 0.02 . 1 . . 1 . 172 V QG1 . 17080 1
1681 . 1 1 176 176 VAL HG12 H 1 1.036 0.02 . 1 . . 1 . 172 V QG1 . 17080 1
1682 . 1 1 176 176 VAL HG13 H 1 1.036 0.02 . 1 . . 1 . 172 V QG1 . 17080 1
1683 . 1 1 176 176 VAL HG21 H 1 0.946 0.02 . 1 . . 1 . 172 V QG2 . 17080 1
1684 . 1 1 176 176 VAL HG22 H 1 0.946 0.02 . 1 . . 1 . 172 V QG2 . 17080 1
1685 . 1 1 176 176 VAL HG23 H 1 0.946 0.02 . 1 . . 1 . 172 V QG2 . 17080 1
1686 . 1 1 176 176 VAL C C 13 174.848 0.02 . 1 . . 1 . 172 V C . 17080 1
1687 . 1 1 176 176 VAL CA C 13 63.940 0.02 . 1 . . 1 . 172 V CA . 17080 1
1688 . 1 1 176 176 VAL CB C 13 32.260 0.02 . 1 . . 1 . 172 V CB . 17080 1
1689 . 1 1 176 176 VAL CG1 C 13 21.436 0.02 . 2 . . 1 . 172 V CG1 . 17080 1
1690 . 1 1 176 176 VAL CG2 C 13 20.281 0.02 . 2 . . 1 . 172 V CG2 . 17080 1
1691 . 1 1 176 176 VAL N N 15 117.699 0.02 . 1 . . 1 . 172 V N . 17080 1
1692 . 1 1 177 177 ASN H H 1 9.365 0.02 . 1 . . 1 . 173 N H . 17080 1
1693 . 1 1 177 177 ASN HA H 1 4.522 0.02 . 1 . . 1 . 173 N HA . 17080 1
1694 . 1 1 177 177 ASN HB2 H 1 2.915 0.02 . 2 . . 1 . 173 N HB2 . 17080 1
1695 . 1 1 177 177 ASN HB3 H 1 2.915 0.02 . 2 . . 1 . 173 N HB3 . 17080 1
1696 . 1 1 177 177 ASN HD21 H 1 7.733 0.02 . 2 . . 1 . 173 N HD21 . 17080 1
1697 . 1 1 177 177 ASN HD22 H 1 6.923 0.02 . 2 . . 1 . 173 N HD22 . 17080 1
1698 . 1 1 177 177 ASN C C 13 172.714 0.02 . 1 . . 1 . 173 N C . 17080 1
1699 . 1 1 177 177 ASN CA C 13 53.566 0.02 . 1 . . 1 . 173 N CA . 17080 1
1700 . 1 1 177 177 ASN CB C 13 40.310 0.02 . 1 . . 1 . 173 N CB . 17080 1
1701 . 1 1 177 177 ASN N N 15 117.357 0.02 . 1 . . 1 . 173 N N . 17080 1
1702 . 1 1 177 177 ASN ND2 N 15 113.258 0.02 . 1 . . 1 . 173 N ND2 . 17080 1
1703 . 1 1 178 178 GLN H H 1 7.935 0.02 . 1 . . 1 . 174 Q H . 17080 1
1704 . 1 1 178 178 GLN HA H 1 4.076 0.02 . 1 . . 1 . 174 Q HA . 17080 1
1705 . 1 1 178 178 GLN HB2 H 1 2.085 0.02 . 2 . . 1 . 174 Q HB2 . 17080 1
1706 . 1 1 178 178 GLN HB3 H 1 2.085 0.02 . 2 . . 1 . 174 Q HB3 . 17080 1
1707 . 1 1 178 178 GLN HE21 H 1 7.321 0.02 . 2 . . 1 . 174 Q HE21 . 17080 1
1708 . 1 1 178 178 GLN HE22 H 1 6.684 0.02 . 2 . . 1 . 174 Q HE22 . 17080 1
1709 . 1 1 178 178 GLN HG2 H 1 2.279 0.02 . 2 . . 1 . 174 Q HG2 . 17080 1
1710 . 1 1 178 178 GLN HG3 H 1 2.279 0.02 . 2 . . 1 . 174 Q HG3 . 17080 1
1711 . 1 1 178 178 GLN C C 13 173.154 0.02 . 1 . . 1 . 174 Q C . 17080 1
1712 . 1 1 178 178 GLN CA C 13 56.522 0.02 . 1 . . 1 . 174 Q CA . 17080 1
1713 . 1 1 178 178 GLN CB C 13 28.850 0.02 . 1 . . 1 . 174 Q CB . 17080 1
1714 . 1 1 178 178 GLN CG C 13 33.461 0.02 . 1 . . 1 . 174 Q CG . 17080 1
1715 . 1 1 178 178 GLN N N 15 113.161 0.02 . 1 . . 1 . 174 Q N . 17080 1
1716 . 1 1 178 178 GLN NE2 N 15 113.176 0.02 . 1 . . 1 . 174 Q NE2 . 17080 1
1717 . 1 1 179 179 ARG H H 1 7.812 0.02 . 1 . . 1 . 175 R H . 17080 1
1718 . 1 1 179 179 ARG HA H 1 5.138 0.02 . 1 . . 1 . 175 R HA . 17080 1
1719 . 1 1 179 179 ARG C C 13 173.076 0.02 . 1 . . 1 . 175 R C . 17080 1
1720 . 1 1 179 179 ARG CA C 13 55.391 0.02 . 1 . . 1 . 175 R CA . 17080 1
1721 . 1 1 179 179 ARG N N 15 124.445 0.02 . 1 . . 1 . 175 R N . 17080 1
1722 . 1 1 180 180 ALA H H 1 9.232 0.02 . 1 . . 1 . 176 A H . 17080 1
1723 . 1 1 180 180 ALA HA H 1 4.975 0.02 . 1 . . 1 . 176 A HA . 17080 1
1724 . 1 1 180 180 ALA HB1 H 1 0.908 0.02 . 1 . . 1 . 176 A QB . 17080 1
1725 . 1 1 180 180 ALA HB2 H 1 0.908 0.02 . 1 . . 1 . 176 A QB . 17080 1
1726 . 1 1 180 180 ALA HB3 H 1 0.908 0.02 . 1 . . 1 . 176 A QB . 17080 1
1727 . 1 1 180 180 ALA C C 13 170.677 0.02 . 1 . . 1 . 176 A C . 17080 1
1728 . 1 1 180 180 ALA CA C 13 50.504 0.02 . 1 . . 1 . 176 A CA . 17080 1
1729 . 1 1 180 180 ALA CB C 13 21.647 0.02 . 1 . . 1 . 176 A CB . 17080 1
1730 . 1 1 180 180 ALA N N 15 128.927 0.02 . 1 . . 1 . 176 A N . 17080 1
1731 . 1 1 181 181 CYS H H 1 9.177 0.02 . 1 . . 1 . 177 C H . 17080 1
1732 . 1 1 181 181 CYS HA H 1 5.073 0.02 . 1 . . 1 . 177 C HA . 17080 1
1733 . 1 1 181 181 CYS HB2 H 1 2.221 0.02 . 2 . . 1 . 177 C HB2 . 17080 1
1734 . 1 1 181 181 CYS HB3 H 1 2.563 0.02 . 2 . . 1 . 177 C HB3 . 17080 1
1735 . 1 1 181 181 CYS C C 13 170.747 0.02 . 1 . . 1 . 177 C C . 17080 1
1736 . 1 1 181 181 CYS CA C 13 55.938 0.02 . 1 . . 1 . 177 C CA . 17080 1
1737 . 1 1 181 181 CYS CB C 13 26.515 0.02 . 1 . . 1 . 177 C CB . 17080 1
1738 . 1 1 181 181 CYS N N 15 121.471 0.02 . 1 . . 1 . 177 C N . 17080 1
1739 . 1 1 182 182 HIS H H 1 9.231 0.02 . 1 . . 1 . 178 H H . 17080 1
1740 . 1 1 182 182 HIS HA H 1 5.008 0.02 . 1 . . 1 . 178 H HA . 17080 1
1741 . 1 1 182 182 HIS HB2 H 1 2.665 0.02 . 2 . . 1 . 178 H HB2 . 17080 1
1742 . 1 1 182 182 HIS HB3 H 1 2.665 0.02 . 2 . . 1 . 178 H HB3 . 17080 1
1743 . 1 1 182 182 HIS HD2 H 1 6.744 0.02 . 1 . . 1 . 178 H HD2 . 17080 1
1744 . 1 1 182 182 HIS HE1 H 1 7.873 0.02 . 1 . . 1 . 178 H HE1 . 17080 1
1745 . 1 1 182 182 HIS CA C 13 55.902 0.02 . 1 . . 1 . 178 H CA . 17080 1
1746 . 1 1 182 182 HIS CB C 13 30.659 0.02 . 1 . . 1 . 178 H CB . 17080 1
1747 . 1 1 182 182 HIS CD2 C 13 119.761 0.02 . 1 . . 1 . 178 H CD2 . 17080 1
1748 . 1 1 182 182 HIS CE1 C 13 138.511 0.02 . 1 . . 1 . 178 H CE1 . 17080 1
1749 . 1 1 182 182 HIS N N 15 130.974 0.02 . 1 . . 1 . 178 H N . 17080 1
1750 . 1 1 183 183 ILE H H 1 7.888 0.02 . 1 . . 1 . 179 I H . 17080 1
1751 . 1 1 183 183 ILE HA H 1 4.920 0.02 . 1 . . 1 . 179 I HA . 17080 1
1752 . 1 1 183 183 ILE HB H 1 1.643 0.02 . 1 . . 1 . 179 I HB . 17080 1
1753 . 1 1 183 183 ILE HD11 H 1 0.668 0.02 . 1 . . 1 . 179 I QD1 . 17080 1
1754 . 1 1 183 183 ILE HD12 H 1 0.668 0.02 . 1 . . 1 . 179 I QD1 . 17080 1
1755 . 1 1 183 183 ILE HD13 H 1 0.668 0.02 . 1 . . 1 . 179 I QD1 . 17080 1
1756 . 1 1 183 183 ILE HG12 H 1 1.332 0.02 . 2 . . 1 . 179 I HG12 . 17080 1
1757 . 1 1 183 183 ILE HG13 H 1 1.332 0.02 . 2 . . 1 . 179 I HG13 . 17080 1
1758 . 1 1 183 183 ILE HG21 H 1 0.984 0.02 . 1 . . 1 . 179 I QG2 . 17080 1
1759 . 1 1 183 183 ILE HG22 H 1 0.984 0.02 . 1 . . 1 . 179 I QG2 . 17080 1
1760 . 1 1 183 183 ILE HG23 H 1 0.984 0.02 . 1 . . 1 . 179 I QG2 . 17080 1
1761 . 1 1 183 183 ILE C C 13 171.125 0.02 . 1 . . 1 . 179 I C . 17080 1
1762 . 1 1 183 183 ILE CA C 13 59.660 0.02 . 1 . . 1 . 179 I CA . 17080 1
1763 . 1 1 183 183 ILE CB C 13 39.103 0.02 . 1 . . 1 . 179 I CB . 17080 1
1764 . 1 1 183 183 ILE CD1 C 13 14.029 0.02 . 1 . . 1 . 179 I CD1 . 17080 1
1765 . 1 1 183 183 ILE CG1 C 13 25.060 0.02 . 1 . . 1 . 179 I CG1 . 17080 1
1766 . 1 1 183 183 ILE CG2 C 13 16.897 0.02 . 1 . . 1 . 179 I CG2 . 17080 1
1767 . 1 1 183 183 ILE N N 15 120.001 0.02 . 1 . . 1 . 179 I N . 17080 1
1768 . 1 1 184 184 LEU H H 1 9.509 0.02 . 1 . . 1 . 180 L H . 17080 1
1769 . 1 1 184 184 LEU HA H 1 5.289 0.02 . 1 . . 1 . 180 L HA . 17080 1
1770 . 1 1 184 184 LEU HB2 H 1 1.874 0.02 . 2 . . 1 . 180 L HB2 . 17080 1
1771 . 1 1 184 184 LEU HB3 H 1 1.265 0.02 . 2 . . 1 . 180 L HB3 . 17080 1
1772 . 1 1 184 184 LEU HD11 H 1 0.690 0.02 . 1 . . 1 . 180 L QD1 . 17080 1
1773 . 1 1 184 184 LEU HD12 H 1 0.690 0.02 . 1 . . 1 . 180 L QD1 . 17080 1
1774 . 1 1 184 184 LEU HD13 H 1 0.690 0.02 . 1 . . 1 . 180 L QD1 . 17080 1
1775 . 1 1 184 184 LEU HD21 H 1 0.974 0.02 . 1 . . 1 . 180 L QD2 . 17080 1
1776 . 1 1 184 184 LEU HD22 H 1 0.974 0.02 . 1 . . 1 . 180 L QD2 . 17080 1
1777 . 1 1 184 184 LEU HD23 H 1 0.974 0.02 . 1 . . 1 . 180 L QD2 . 17080 1
1778 . 1 1 184 184 LEU HG H 1 1.947 0.02 . 1 . . 1 . 180 L HG . 17080 1
1779 . 1 1 184 184 LEU C C 13 172.578 0.02 . 1 . . 1 . 180 L C . 17080 1
1780 . 1 1 184 184 LEU CA C 13 52.034 0.02 . 1 . . 1 . 180 L CA . 17080 1
1781 . 1 1 184 184 LEU CB C 13 43.094 0.02 . 1 . . 1 . 180 L CB . 17080 1
1782 . 1 1 184 184 LEU CD1 C 13 26.728 0.02 . 2 . . 1 . 180 L CD1 . 17080 1
1783 . 1 1 184 184 LEU CD2 C 13 25.685 0.02 . 2 . . 1 . 180 L CD2 . 17080 1
1784 . 1 1 184 184 LEU CG C 13 26.569 0.02 . 1 . . 1 . 180 L CG . 17080 1
1785 . 1 1 184 184 LEU N N 15 126.127 0.02 . 1 . . 1 . 180 L N . 17080 1
1786 . 1 1 185 185 GLU H H 1 9.572 0.02 . 1 . . 1 . 181 E H . 17080 1
1787 . 1 1 185 185 GLU HA H 1 4.304 0.02 . 1 . . 1 . 181 E HA . 17080 1
1788 . 1 1 185 185 GLU HB2 H 1 1.947 0.02 . 2 . . 1 . 181 E HB2 . 17080 1
1789 . 1 1 185 185 GLU HB3 H 1 1.947 0.02 . 2 . . 1 . 181 E HB3 . 17080 1
1790 . 1 1 185 185 GLU HG2 H 1 2.272 0.02 . 2 . . 1 . 181 E HG2 . 17080 1
1791 . 1 1 185 185 GLU HG3 H 1 2.272 0.02 . 2 . . 1 . 181 E HG3 . 17080 1
1792 . 1 1 185 185 GLU C C 13 173.457 0.02 . 1 . . 1 . 181 E C . 17080 1
1793 . 1 1 185 185 GLU CA C 13 55.135 0.02 . 1 . . 1 . 181 E CA . 17080 1
1794 . 1 1 185 185 GLU CB C 13 33.560 0.02 . 1 . . 1 . 181 E CB . 17080 1
1795 . 1 1 185 185 GLU CG C 13 36.979 0.02 . 1 . . 1 . 181 E CG . 17080 1
1796 . 1 1 185 185 GLU N N 15 124.938 0.02 . 1 . . 1 . 181 E N . 17080 1
1797 . 1 1 186 186 CYS H H 1 8.990 0.02 . 1 . . 1 . 182 C H . 17080 1
1798 . 1 1 186 186 CYS HA H 1 4.818 0.02 . 1 . . 1 . 182 C HA . 17080 1
1799 . 1 1 186 186 CYS HB2 H 1 2.939 0.02 . 2 . . 1 . 182 C HB2 . 17080 1
1800 . 1 1 186 186 CYS HB3 H 1 2.939 0.02 . 2 . . 1 . 182 C HB3 . 17080 1
1801 . 1 1 186 186 CYS C C 13 169.096 0.02 . 1 . . 1 . 182 C C . 17080 1
1802 . 1 1 186 186 CYS CA C 13 55.719 0.02 . 1 . . 1 . 182 C CA . 17080 1
1803 . 1 1 186 186 CYS CB C 13 28.690 0.02 . 1 . . 1 . 182 C CB . 17080 1
1804 . 1 1 186 186 CYS N N 15 127.508 0.02 . 1 . . 1 . 182 C N . 17080 1
1805 . 1 1 187 187 PRO HA H 1 4.523 0.02 . 1 . . 1 . 183 P HA . 17080 1
1806 . 1 1 187 187 PRO HB2 H 1 2.440 0.02 . 2 . . 1 . 183 P HB2 . 17080 1
1807 . 1 1 187 187 PRO HB3 H 1 2.000 0.02 . 2 . . 1 . 183 P HB3 . 17080 1
1808 . 1 1 187 187 PRO HD2 H 1 3.490 0.02 . 2 . . 1 . 183 P HD2 . 17080 1
1809 . 1 1 187 187 PRO HD3 H 1 3.490 0.02 . 2 . . 1 . 183 P HD3 . 17080 1
1810 . 1 1 187 187 PRO C C 13 173.638 0.02 . 1 . . 1 . 183 P C . 17080 1
1811 . 1 1 187 187 PRO CA C 13 62.434 0.02 . 1 . . 1 . 183 P CA . 17080 1
1812 . 1 1 187 187 PRO CB C 13 32.400 0.02 . 1 . . 1 . 183 P CB . 17080 1
1813 . 1 1 187 187 PRO CD C 13 49.910 0.02 . 1 . . 1 . 183 P CD . 17080 1
1814 . 1 1 188 188 GLU H H 1 8.816 0.02 . 1 . . 1 . 184 E H . 17080 1
1815 . 1 1 188 188 GLU HA H 1 3.896 0.02 . 1 . . 1 . 184 E HA . 17080 1
1816 . 1 1 188 188 GLU HB2 H 1 2.076 0.02 . 2 . . 1 . 184 E HB2 . 17080 1
1817 . 1 1 188 188 GLU HB3 H 1 2.076 0.02 . 2 . . 1 . 184 E HB3 . 17080 1
1818 . 1 1 188 188 GLU HG2 H 1 2.300 0.02 . 2 . . 1 . 184 E HG2 . 17080 1
1819 . 1 1 188 188 GLU HG3 H 1 2.300 0.02 . 2 . . 1 . 184 E HG3 . 17080 1
1820 . 1 1 188 188 GLU C C 13 174.547 0.02 . 1 . . 1 . 184 E C . 17080 1
1821 . 1 1 188 188 GLU CA C 13 57.763 0.02 . 1 . . 1 . 184 E CA . 17080 1
1822 . 1 1 188 188 GLU CB C 13 28.276 0.02 . 1 . . 1 . 184 E CB . 17080 1
1823 . 1 1 188 188 GLU CG C 13 35.683 0.02 . 1 . . 1 . 184 E CG . 17080 1
1824 . 1 1 188 188 GLU N N 15 120.016 0.02 . 1 . . 1 . 184 E N . 17080 1
1825 . 1 1 189 189 GLY H H 1 8.816 0.02 . 1 . . 1 . 185 G H . 17080 1
1826 . 1 1 189 189 GLY HA2 H 1 3.890 0.02 . 2 . . 1 . 185 G HA2 . 17080 1
1827 . 1 1 189 189 GLY HA3 H 1 4.230 0.02 . 2 . . 1 . 185 G HA3 . 17080 1
1828 . 1 1 189 189 GLY C C 13 172.972 0.02 . 1 . . 1 . 185 G C . 17080 1
1829 . 1 1 189 189 GLY CA C 13 45.389 0.02 . 1 . . 1 . 185 G CA . 17080 1
1830 . 1 1 189 189 GLY N N 15 110.993 0.02 . 1 . . 1 . 185 G N . 17080 1
1831 . 1 1 190 190 LEU H H 1 7.899 0.02 . 1 . . 1 . 186 L H . 17080 1
1832 . 1 1 190 190 LEU HA H 1 4.464 0.02 . 1 . . 1 . 186 L HA . 17080 1
1833 . 1 1 190 190 LEU HB2 H 1 1.640 0.02 . 2 . . 1 . 186 L HB2 . 17080 1
1834 . 1 1 190 190 LEU HB3 H 1 1.499 0.02 . 2 . . 1 . 186 L HB3 . 17080 1
1835 . 1 1 190 190 LEU HD11 H 1 1.114 0.02 . 1 . . 1 . 186 L QD1 . 17080 1
1836 . 1 1 190 190 LEU HD12 H 1 1.114 0.02 . 1 . . 1 . 186 L QD1 . 17080 1
1837 . 1 1 190 190 LEU HD13 H 1 1.114 0.02 . 1 . . 1 . 186 L QD1 . 17080 1
1838 . 1 1 190 190 LEU HD21 H 1 1.042 0.02 . 1 . . 1 . 186 L QD2 . 17080 1
1839 . 1 1 190 190 LEU HD22 H 1 1.042 0.02 . 1 . . 1 . 186 L QD2 . 17080 1
1840 . 1 1 190 190 LEU HD23 H 1 1.042 0.02 . 1 . . 1 . 186 L QD2 . 17080 1
1841 . 1 1 190 190 LEU HG H 1 1.811 0.02 . 1 . . 1 . 186 L HG . 17080 1
1842 . 1 1 190 190 LEU C C 13 175.455 0.02 . 1 . . 1 . 186 L C . 17080 1
1843 . 1 1 190 190 LEU CA C 13 55.057 0.02 . 1 . . 1 . 186 L CA . 17080 1
1844 . 1 1 190 190 LEU CB C 13 43.647 0.02 . 1 . . 1 . 186 L CB . 17080 1
1845 . 1 1 190 190 LEU CD1 C 13 24.197 0.02 . 2 . . 1 . 186 L CD1 . 17080 1
1846 . 1 1 190 190 LEU CD2 C 13 24.261 0.02 . 2 . . 1 . 186 L CD2 . 17080 1
1847 . 1 1 190 190 LEU CG C 13 26.931 0.02 . 1 . . 1 . 186 L CG . 17080 1
1848 . 1 1 190 190 LEU N N 15 120.760 0.02 . 1 . . 1 . 186 L N . 17080 1
1849 . 1 1 191 191 ALA H H 1 8.589 0.02 . 1 . . 1 . 187 A H . 17080 1
1850 . 1 1 191 191 ALA HA H 1 3.933 0.02 . 1 . . 1 . 187 A HA . 17080 1
1851 . 1 1 191 191 ALA HB1 H 1 1.386 0.02 . 1 . . 1 . 187 A QB . 17080 1
1852 . 1 1 191 191 ALA HB2 H 1 1.386 0.02 . 1 . . 1 . 187 A QB . 17080 1
1853 . 1 1 191 191 ALA HB3 H 1 1.386 0.02 . 1 . . 1 . 187 A QB . 17080 1
1854 . 1 1 191 191 ALA C C 13 176.818 0.02 . 1 . . 1 . 187 A C . 17080 1
1855 . 1 1 191 191 ALA CA C 13 55.669 0.02 . 1 . . 1 . 187 A CA . 17080 1
1856 . 1 1 191 191 ALA CB C 13 18.012 0.02 . 1 . . 1 . 187 A CB . 17080 1
1857 . 1 1 191 191 ALA N N 15 123.558 0.02 . 1 . . 1 . 187 A N . 17080 1
1858 . 1 1 192 192 GLN H H 1 8.147 0.02 . 1 . . 1 . 188 Q H . 17080 1
1859 . 1 1 192 192 GLN HA H 1 4.000 0.02 . 1 . . 1 . 188 Q HA . 17080 1
1860 . 1 1 192 192 GLN HB2 H 1 2.096 0.02 . 2 . . 1 . 188 Q HB2 . 17080 1
1861 . 1 1 192 192 GLN HB3 H 1 2.096 0.02 . 2 . . 1 . 188 Q HB3 . 17080 1
1862 . 1 1 192 192 GLN HE21 H 1 7.563 0.02 . 2 . . 1 . 188 Q HE21 . 17080 1
1863 . 1 1 192 192 GLN HE22 H 1 6.846 0.02 . 2 . . 1 . 188 Q HE22 . 17080 1
1864 . 1 1 192 192 GLN HG2 H 1 2.478 0.02 . 2 . . 1 . 188 Q HG2 . 17080 1
1865 . 1 1 192 192 GLN HG3 H 1 2.478 0.02 . 2 . . 1 . 188 Q HG3 . 17080 1
1866 . 1 1 192 192 GLN C C 13 175.516 0.02 . 1 . . 1 . 188 Q C . 17080 1
1867 . 1 1 192 192 GLN CA C 13 57.836 0.02 . 1 . . 1 . 188 Q CA . 17080 1
1868 . 1 1 192 192 GLN CB C 13 27.464 0.02 . 1 . . 1 . 188 Q CB . 17080 1
1869 . 1 1 192 192 GLN CG C 13 33.587 0.02 . 1 . . 1 . 188 Q CG . 17080 1
1870 . 1 1 192 192 GLN N N 15 113.990 0.02 . 1 . . 1 . 188 Q N . 17080 1
1871 . 1 1 192 192 GLN NE2 N 15 112.379 0.02 . 1 . . 1 . 188 Q NE2 . 17080 1
1872 . 1 1 193 193 ASP H H 1 7.376 0.02 . 1 . . 1 . 189 D H . 17080 1
1873 . 1 1 193 193 ASP HA H 1 4.375 0.02 . 1 . . 1 . 189 D HA . 17080 1
1874 . 1 1 193 193 ASP HB2 H 1 2.800 0.02 . 2 . . 1 . 189 D HB2 . 17080 1
1875 . 1 1 193 193 ASP HB3 H 1 2.800 0.02 . 2 . . 1 . 189 D HB3 . 17080 1
1876 . 1 1 193 193 ASP C C 13 176.000 0.02 . 1 . . 1 . 189 D C . 17080 1
1877 . 1 1 193 193 ASP CA C 13 56.383 0.02 . 1 . . 1 . 189 D CA . 17080 1
1878 . 1 1 193 193 ASP CB C 13 40.199 0.02 . 1 . . 1 . 189 D CB . 17080 1
1879 . 1 1 193 193 ASP N N 15 122.383 0.02 . 1 . . 1 . 189 D N . 17080 1
1880 . 1 1 194 194 VAL H H 1 8.116 0.02 . 1 . . 1 . 190 V H . 17080 1
1881 . 1 1 194 194 VAL HA H 1 3.040 0.02 . 1 . . 1 . 190 V HA . 17080 1
1882 . 1 1 194 194 VAL HB H 1 1.907 0.02 . 1 . . 1 . 190 V HB . 17080 1
1883 . 1 1 194 194 VAL HG11 H 1 0.491 0.02 . 1 . . 1 . 190 V QG1 . 17080 1
1884 . 1 1 194 194 VAL HG12 H 1 0.491 0.02 . 1 . . 1 . 190 V QG1 . 17080 1
1885 . 1 1 194 194 VAL HG13 H 1 0.491 0.02 . 1 . . 1 . 190 V QG1 . 17080 1
1886 . 1 1 194 194 VAL HG21 H 1 0.081 0.02 . 1 . . 1 . 190 V QG2 . 17080 1
1887 . 1 1 194 194 VAL HG22 H 1 0.081 0.02 . 1 . . 1 . 190 V QG2 . 17080 1
1888 . 1 1 194 194 VAL HG23 H 1 0.081 0.02 . 1 . . 1 . 190 V QG2 . 17080 1
1889 . 1 1 194 194 VAL C C 13 175.728 0.02 . 1 . . 1 . 190 V C . 17080 1
1890 . 1 1 194 194 VAL CA C 13 66.886 0.02 . 1 . . 1 . 190 V CA . 17080 1
1891 . 1 1 194 194 VAL CB C 13 30.572 0.02 . 1 . . 1 . 190 V CB . 17080 1
1892 . 1 1 194 194 VAL CG1 C 13 20.861 0.02 . 2 . . 1 . 190 V CG1 . 17080 1
1893 . 1 1 194 194 VAL CG2 C 13 20.268 0.02 . 2 . . 1 . 190 V CG2 . 17080 1
1894 . 1 1 194 194 VAL N N 15 121.542 0.02 . 1 . . 1 . 190 V N . 17080 1
1895 . 1 1 195 195 ILE H H 1 8.330 0.02 . 1 . . 1 . 191 I H . 17080 1
1896 . 1 1 195 195 ILE HA H 1 3.840 0.02 . 1 . . 1 . 191 I HA . 17080 1
1897 . 1 1 195 195 ILE HB H 1 1.764 0.02 . 1 . . 1 . 191 I HB . 17080 1
1898 . 1 1 195 195 ILE HD11 H 1 0.932 0.02 . 1 . . 1 . 191 I QD1 . 17080 1
1899 . 1 1 195 195 ILE HD12 H 1 0.932 0.02 . 1 . . 1 . 191 I QD1 . 17080 1
1900 . 1 1 195 195 ILE HD13 H 1 0.932 0.02 . 1 . . 1 . 191 I QD1 . 17080 1
1901 . 1 1 195 195 ILE HG12 H 1 0.859 0.02 . 2 . . 1 . 191 I HG12 . 17080 1
1902 . 1 1 195 195 ILE HG13 H 1 0.859 0.02 . 2 . . 1 . 191 I HG13 . 17080 1
1903 . 1 1 195 195 ILE HG21 H 1 0.524 0.02 . 1 . . 1 . 191 I QG2 . 17080 1
1904 . 1 1 195 195 ILE HG22 H 1 0.524 0.02 . 1 . . 1 . 191 I QG2 . 17080 1
1905 . 1 1 195 195 ILE HG23 H 1 0.524 0.02 . 1 . . 1 . 191 I QG2 . 17080 1
1906 . 1 1 195 195 ILE C C 13 174.962 0.02 . 1 . . 1 . 191 I C . 17080 1
1907 . 1 1 195 195 ILE CA C 13 59.624 0.02 . 1 . . 1 . 191 I CA . 17080 1
1908 . 1 1 195 195 ILE CB C 13 37.393 0.02 . 1 . . 1 . 191 I CB . 17080 1
1909 . 1 1 195 195 ILE CD1 C 13 13.963 0.02 . 1 . . 1 . 191 I CD1 . 17080 1
1910 . 1 1 195 195 ILE CG1 C 13 25.459 0.02 . 1 . . 1 . 191 I CG1 . 17080 1
1911 . 1 1 195 195 ILE CG2 C 13 23.654 0.02 . 1 . . 1 . 191 I CG2 . 17080 1
1912 . 1 1 195 195 ILE N N 15 116.749 0.02 . 1 . . 1 . 191 I N . 17080 1
1913 . 1 1 196 196 SER H H 1 8.266 0.02 . 1 . . 1 . 192 S H . 17080 1
1914 . 1 1 196 196 SER HA H 1 4.391 0.02 . 1 . . 1 . 192 S HA . 17080 1
1915 . 1 1 196 196 SER HB3 H 1 3.772 0.02 . 2 . . 1 . 192 S HB3 . 17080 1
1916 . 1 1 196 196 SER C C 13 173.548 0.02 . 1 . . 1 . 192 S C . 17080 1
1917 . 1 1 196 196 SER CA C 13 59.969 0.02 . 1 . . 1 . 192 S CA . 17080 1
1918 . 1 1 196 196 SER CB C 13 63.470 0.02 . 1 . . 1 . 192 S CB . 17080 1
1919 . 1 1 196 196 SER N N 15 115.714 0.02 . 1 . . 1 . 192 S N . 17080 1
1920 . 1 1 197 197 THR H H 1 8.323 0.02 . 1 . . 1 . 193 T H . 17080 1
1921 . 1 1 197 197 THR HB H 1 4.180 0.02 . 1 . . 1 . 193 T HB . 17080 1
1922 . 1 1 197 197 THR HG21 H 1 1.057 0.02 . 1 . . 1 . 193 T QG2 . 17080 1
1923 . 1 1 197 197 THR HG22 H 1 1.057 0.02 . 1 . . 1 . 193 T QG2 . 17080 1
1924 . 1 1 197 197 THR HG23 H 1 1.057 0.02 . 1 . . 1 . 193 T QG2 . 17080 1
1925 . 1 1 197 197 THR C C 13 173.586 0.02 . 1 . . 1 . 193 T C . 17080 1
1926 . 1 1 197 197 THR CB C 13 67.958 0.02 . 1 . . 1 . 193 T CB . 17080 1
1927 . 1 1 197 197 THR CG2 C 13 20.389 0.02 . 1 . . 1 . 193 T CG2 . 17080 1
1928 . 1 1 197 197 THR N N 15 122.723 0.02 . 1 . . 1 . 193 T N . 17080 1
1929 . 1 1 198 198 ILE H H 1 7.891 0.02 . 1 . . 1 . 194 I H . 17080 1
1930 . 1 1 198 198 ILE HA H 1 4.109 0.02 . 1 . . 1 . 194 I HA . 17080 1
1931 . 1 1 198 198 ILE HB H 1 1.498 0.02 . 1 . . 1 . 194 I HB . 17080 1
1932 . 1 1 198 198 ILE HD11 H 1 0.429 0.02 . 1 . . 1 . 194 I QD1 . 17080 1
1933 . 1 1 198 198 ILE HD12 H 1 0.429 0.02 . 1 . . 1 . 194 I QD1 . 17080 1
1934 . 1 1 198 198 ILE HD13 H 1 0.429 0.02 . 1 . . 1 . 194 I QD1 . 17080 1
1935 . 1 1 198 198 ILE HG12 H 1 1.343 0.02 . 2 . . 1 . 194 I HG12 . 17080 1
1936 . 1 1 198 198 ILE HG13 H 1 1.343 0.02 . 2 . . 1 . 194 I HG13 . 17080 1
1937 . 1 1 198 198 ILE HG21 H 1 -0.157 0.02 . 1 . . 1 . 194 I QG2 . 17080 1
1938 . 1 1 198 198 ILE HG22 H 1 -0.157 0.02 . 1 . . 1 . 194 I QG2 . 17080 1
1939 . 1 1 198 198 ILE HG23 H 1 -0.157 0.02 . 1 . . 1 . 194 I QG2 . 17080 1
1940 . 1 1 198 198 ILE C C 13 173.699 0.02 . 1 . . 1 . 194 I C . 17080 1
1941 . 1 1 198 198 ILE CA C 13 65.885 0.02 . 1 . . 1 . 194 I CA . 17080 1
1942 . 1 1 198 198 ILE CB C 13 36.859 0.02 . 1 . . 1 . 194 I CB . 17080 1
1943 . 1 1 198 198 ILE CD1 C 13 12.846 0.02 . 1 . . 1 . 194 I CD1 . 17080 1
1944 . 1 1 198 198 ILE CG1 C 13 23.754 0.02 . 1 . . 1 . 194 I CG1 . 17080 1
1945 . 1 1 198 198 ILE CG2 C 13 16.322 0.02 . 1 . . 1 . 194 I CG2 . 17080 1
1946 . 1 1 198 198 ILE N N 15 123.147 0.02 . 1 . . 1 . 194 I N . 17080 1
1947 . 1 1 199 199 GLY H H 1 7.622 0.02 . 1 . . 1 . 195 G H . 17080 1
1948 . 1 1 199 199 GLY HA2 H 1 3.642 0.02 . 2 . . 1 . 195 G HA2 . 17080 1
1949 . 1 1 199 199 GLY HA3 H 1 3.642 0.02 . 2 . . 1 . 195 G HA3 . 17080 1
1950 . 1 1 199 199 GLY C C 13 176.058 0.02 . 1 . . 1 . 195 G C . 17080 1
1951 . 1 1 199 199 GLY CA C 13 46.122 0.02 . 1 . . 1 . 195 G CA . 17080 1
1952 . 1 1 199 199 GLY N N 15 105.241 0.02 . 1 . . 1 . 195 G N . 17080 1
1953 . 1 1 200 200 GLN C C 13 174.733 0.02 . 1 . . 1 . 196 Q C . 17080 1
1954 . 1 1 201 201 ALA H H 1 7.798 0.02 . 1 . . 1 . 197 A H . 17080 1
1955 . 1 1 201 201 ALA HA H 1 3.579 0.02 . 1 . . 1 . 197 A HA . 17080 1
1956 . 1 1 201 201 ALA HB1 H 1 0.977 0.02 . 1 . . 1 . 197 A QB . 17080 1
1957 . 1 1 201 201 ALA HB2 H 1 0.977 0.02 . 1 . . 1 . 197 A QB . 17080 1
1958 . 1 1 201 201 ALA HB3 H 1 0.977 0.02 . 1 . . 1 . 197 A QB . 17080 1
1959 . 1 1 201 201 ALA C C 13 177.091 0.02 . 1 . . 1 . 197 A C . 17080 1
1960 . 1 1 201 201 ALA CA C 13 55.065 0.02 . 1 . . 1 . 197 A CA . 17080 1
1961 . 1 1 201 201 ALA CB C 13 16.883 0.02 . 1 . . 1 . 197 A CB . 17080 1
1962 . 1 1 201 201 ALA N N 15 121.478 0.02 . 1 . . 1 . 197 A N . 17080 1
1963 . 1 1 202 202 PHE H H 1 8.450 0.02 . 1 . . 1 . 198 F H . 17080 1
1964 . 1 1 202 202 PHE HD1 H 1 6.942 0.02 . 3 . . 1 . 198 F QD . 17080 1
1965 . 1 1 202 202 PHE HD2 H 1 6.942 0.02 . 3 . . 1 . 198 F QD . 17080 1
1966 . 1 1 202 202 PHE CA C 13 59.150 0.02 . 1 . . 1 . 198 F CA . 17080 1
1967 . 1 1 202 202 PHE CD1 C 13 131.274 0.02 . 3 . . 1 . 198 F CD1 . 17080 1
1968 . 1 1 202 202 PHE CD2 C 13 131.274 0.02 . 3 . . 1 . 198 F CD2 . 17080 1
1969 . 1 1 202 202 PHE N N 15 120.017 0.02 . 1 . . 1 . 198 F N . 17080 1
1970 . 1 1 203 203 GLU HB2 H 1 2.489 0.02 . 2 . . 1 . 199 E HB2 . 17080 1
1971 . 1 1 203 203 GLU HB3 H 1 2.501 0.02 . 2 . . 1 . 199 E HB3 . 17080 1
1972 . 1 1 203 203 GLU HG2 H 1 2.427 0.02 . 2 . . 1 . 199 E HG2 . 17080 1
1973 . 1 1 203 203 GLU HG3 H 1 2.550 0.02 . 2 . . 1 . 199 E HG3 . 17080 1
1974 . 1 1 203 203 GLU C C 13 176.543 0.02 . 1 . . 1 . 199 E C . 17080 1
1975 . 1 1 203 203 GLU CB C 13 29.362 0.02 . 1 . . 1 . 199 E CB . 17080 1
1976 . 1 1 203 203 GLU CG C 13 36.455 0.02 . 1 . . 1 . 199 E CG . 17080 1
1977 . 1 1 204 204 LEU H H 1 8.245 0.02 . 1 . . 1 . 200 L H . 17080 1
1978 . 1 1 204 204 LEU HA H 1 3.998 0.02 . 1 . . 1 . 200 L HA . 17080 1
1979 . 1 1 204 204 LEU HB2 H 1 1.700 0.02 . 2 . . 1 . 200 L HB2 . 17080 1
1980 . 1 1 204 204 LEU HB3 H 1 1.850 0.02 . 2 . . 1 . 200 L HB3 . 17080 1
1981 . 1 1 204 204 LEU HD21 H 1 0.873 0.02 . 1 . . 1 . 200 L QD2 . 17080 1
1982 . 1 1 204 204 LEU HD22 H 1 0.873 0.02 . 1 . . 1 . 200 L QD2 . 17080 1
1983 . 1 1 204 204 LEU HD23 H 1 0.873 0.02 . 1 . . 1 . 200 L QD2 . 17080 1
1984 . 1 1 204 204 LEU C C 13 176.922 0.02 . 1 . . 1 . 200 L C . 17080 1
1985 . 1 1 204 204 LEU CA C 13 57.970 0.02 . 1 . . 1 . 200 L CA . 17080 1
1986 . 1 1 204 204 LEU CB C 13 40.179 0.02 . 1 . . 1 . 200 L CB . 17080 1
1987 . 1 1 204 204 LEU CD2 C 13 24.744 0.02 . 2 . . 1 . 200 L CD2 . 17080 1
1988 . 1 1 204 204 LEU N N 15 118.181 0.02 . 1 . . 1 . 200 L N . 17080 1
1989 . 1 1 205 205 ARG H H 1 8.868 0.02 . 1 . . 1 . 201 R H . 17080 1
1990 . 1 1 205 205 ARG HA H 1 4.121 0.02 . 1 . . 1 . 201 R HA . 17080 1
1991 . 1 1 205 205 ARG HB2 H 1 1.725 0.02 . 2 . . 1 . 201 R HB2 . 17080 1
1992 . 1 1 205 205 ARG HB3 H 1 1.725 0.02 . 2 . . 1 . 201 R HB3 . 17080 1
1993 . 1 1 205 205 ARG C C 13 172.644 0.02 . 1 . . 1 . 201 R C . 17080 1
1994 . 1 1 205 205 ARG CA C 13 56.734 0.02 . 1 . . 1 . 201 R CA . 17080 1
1995 . 1 1 205 205 ARG CB C 13 30.000 0.02 . 1 . . 1 . 201 R CB . 17080 1
1996 . 1 1 205 205 ARG N N 15 119.111 0.02 . 1 . . 1 . 201 R N . 17080 1
1997 . 1 1 206 206 PHE H H 1 7.980 0.02 . 1 . . 1 . 202 F H . 17080 1
1998 . 1 1 206 206 PHE HA H 1 5.565 0.02 . 1 . . 1 . 202 F HA . 17080 1
1999 . 1 1 206 206 PHE C C 13 174.362 0.02 . 1 . . 1 . 202 F C . 17080 1
2000 . 1 1 206 206 PHE CA C 13 57.958 0.02 . 1 . . 1 . 202 F CA . 17080 1
2001 . 1 1 206 206 PHE N N 15 118.086 0.02 . 1 . . 1 . 202 F N . 17080 1
2002 . 1 1 208 208 GLN H H 1 8.007 0.02 . 1 . . 1 . 204 Q H . 17080 1
2003 . 1 1 208 208 GLN HA H 1 4.065 0.02 . 1 . . 1 . 204 Q HA . 17080 1
2004 . 1 1 208 208 GLN HB2 H 1 1.998 0.02 . 2 . . 1 . 204 Q HB2 . 17080 1
2005 . 1 1 208 208 GLN HB3 H 1 1.998 0.02 . 2 . . 1 . 204 Q HB3 . 17080 1
2006 . 1 1 208 208 GLN HE21 H 1 8.075 0.02 . 2 . . 1 . 204 Q HE21 . 17080 1
2007 . 1 1 208 208 GLN HE22 H 1 6.806 0.02 . 2 . . 1 . 204 Q HE22 . 17080 1
2008 . 1 1 208 208 GLN C C 13 174.123 0.02 . 1 . . 1 . 204 Q C . 17080 1
2009 . 1 1 208 208 GLN CA C 13 57.069 0.02 . 1 . . 1 . 204 Q CA . 17080 1
2010 . 1 1 208 208 GLN CB C 13 28.954 0.02 . 1 . . 1 . 204 Q CB . 17080 1
2011 . 1 1 208 208 GLN N N 15 120.415 0.02 . 1 . . 1 . 204 Q N . 17080 1
2012 . 1 1 208 208 GLN NE2 N 15 111.684 0.02 . 1 . . 1 . 204 Q NE2 . 17080 1
2013 . 1 1 209 209 TYR H H 1 7.685 0.02 . 1 . . 1 . 205 Y H . 17080 1
2014 . 1 1 209 209 TYR HA H 1 4.489 0.02 . 1 . . 1 . 205 Y HA . 17080 1
2015 . 1 1 209 209 TYR HB2 H 1 3.201 0.02 . 2 . . 1 . 205 Y HB2 . 17080 1
2016 . 1 1 209 209 TYR HB3 H 1 2.910 0.02 . 2 . . 1 . 205 Y HB3 . 17080 1
2017 . 1 1 209 209 TYR HD1 H 1 7.222 0.02 . 3 . . 1 . 205 Y QD . 17080 1
2018 . 1 1 209 209 TYR HD2 H 1 7.222 0.02 . 3 . . 1 . 205 Y QD . 17080 1
2019 . 1 1 209 209 TYR HE1 H 1 6.774 0.02 . 3 . . 1 . 205 Y QE . 17080 1
2020 . 1 1 209 209 TYR HE2 H 1 6.774 0.02 . 3 . . 1 . 205 Y QE . 17080 1
2021 . 1 1 209 209 TYR C C 13 173.214 0.02 . 1 . . 1 . 205 Y C . 17080 1
2022 . 1 1 209 209 TYR CA C 13 58.128 0.02 . 1 . . 1 . 205 Y CA . 17080 1
2023 . 1 1 209 209 TYR CB C 13 38.138 0.02 . 1 . . 1 . 205 Y CB . 17080 1
2024 . 1 1 209 209 TYR CD1 C 13 132.831 0.02 . 3 . . 1 . 205 Y CD1 . 17080 1
2025 . 1 1 209 209 TYR CD2 C 13 132.831 0.02 . 3 . . 1 . 205 Y CD2 . 17080 1
2026 . 1 1 209 209 TYR CE1 C 13 117.686 0.02 . 3 . . 1 . 205 Y CE1 . 17080 1
2027 . 1 1 209 209 TYR CE2 C 13 117.686 0.02 . 3 . . 1 . 205 Y CE2 . 17080 1
2028 . 1 1 209 209 TYR N N 15 117.189 0.02 . 1 . . 1 . 205 Y N . 17080 1
2029 . 1 1 210 210 LEU H H 1 7.624 0.02 . 1 . . 1 . 206 L H . 17080 1
2030 . 1 1 210 210 LEU HA H 1 4.240 0.02 . 1 . . 1 . 206 L HA . 17080 1
2031 . 1 1 210 210 LEU HB2 H 1 1.551 0.02 . 2 . . 1 . 206 L HB2 . 17080 1
2032 . 1 1 210 210 LEU HB3 H 1 1.551 0.02 . 2 . . 1 . 206 L HB3 . 17080 1
2033 . 1 1 210 210 LEU HD11 H 1 0.845 0.02 . 1 . . 1 . 206 L QD1 . 17080 1
2034 . 1 1 210 210 LEU HD12 H 1 0.845 0.02 . 1 . . 1 . 206 L QD1 . 17080 1
2035 . 1 1 210 210 LEU HD13 H 1 0.845 0.02 . 1 . . 1 . 206 L QD1 . 17080 1
2036 . 1 1 210 210 LEU HD21 H 1 0.783 0.02 . 1 . . 1 . 206 L QD2 . 17080 1
2037 . 1 1 210 210 LEU HD22 H 1 0.783 0.02 . 1 . . 1 . 206 L QD2 . 17080 1
2038 . 1 1 210 210 LEU HD23 H 1 0.783 0.02 . 1 . . 1 . 206 L QD2 . 17080 1
2039 . 1 1 210 210 LEU HG H 1 1.498 0.02 . 1 . . 1 . 206 L HG . 17080 1
2040 . 1 1 210 210 LEU C C 13 173.490 0.02 . 1 . . 1 . 206 L C . 17080 1
2041 . 1 1 210 210 LEU CA C 13 54.866 0.02 . 1 . . 1 . 206 L CA . 17080 1
2042 . 1 1 210 210 LEU CB C 13 41.540 0.02 . 1 . . 1 . 206 L CB . 17080 1
2043 . 1 1 210 210 LEU CD1 C 13 22.000 0.02 . 2 . . 1 . 206 L CD1 . 17080 1
2044 . 1 1 210 210 LEU CD2 C 13 23.291 0.02 . 2 . . 1 . 206 L CD2 . 17080 1
2045 . 1 1 210 210 LEU CG C 13 26.071 0.02 . 1 . . 1 . 206 L CG . 17080 1
2046 . 1 1 210 210 LEU N N 15 122.133 0.02 . 1 . . 1 . 206 L N . 17080 1
2047 . 1 1 211 211 ARG H H 1 7.628 0.02 . 1 . . 1 . 207 R H . 17080 1
2048 . 1 1 211 211 ARG HA H 1 4.146 0.02 . 1 . . 1 . 207 R HA . 17080 1
2049 . 1 1 211 211 ARG HB2 H 1 1.858 0.02 . 2 . . 1 . 207 R HB2 . 17080 1
2050 . 1 1 211 211 ARG HB3 H 1 1.710 0.02 . 2 . . 1 . 207 R HB3 . 17080 1
2051 . 1 1 211 211 ARG HD2 H 1 3.181 0.02 . 2 . . 1 . 207 R HD2 . 17080 1
2052 . 1 1 211 211 ARG HD3 H 1 3.181 0.02 . 2 . . 1 . 207 R HD3 . 17080 1
2053 . 1 1 211 211 ARG HG2 H 1 1.586 0.02 . 2 . . 1 . 207 R HG2 . 17080 1
2054 . 1 1 211 211 ARG HG3 H 1 1.586 0.02 . 2 . . 1 . 207 R HG3 . 17080 1
2055 . 1 1 211 211 ARG C C 13 178.431 0.02 . 1 . . 1 . 207 R C . 17080 1
2056 . 1 1 211 211 ARG CA C 13 56.943 0.02 . 1 . . 1 . 207 R CA . 17080 1
2057 . 1 1 211 211 ARG CB C 13 31.150 0.02 . 1 . . 1 . 207 R CB . 17080 1
2058 . 1 1 211 211 ARG CD C 13 42.140 0.02 . 1 . . 1 . 207 R CD . 17080 1
2059 . 1 1 211 211 ARG CG C 13 26.783 0.02 . 1 . . 1 . 207 R CG . 17080 1
2060 . 1 1 211 211 ARG N N 15 126.086 0.02 . 1 . . 1 . 207 R N . 17080 1
2061 . 2 2 2 2 ALA H H 1 8.176 0.02 . 1 . . 2 . 737 A H . 17080 1
2062 . 2 2 2 2 ALA HA H 1 4.250 0.02 . 1 . . 2 . 737 A HA . 17080 1
2063 . 2 2 2 2 ALA HB1 H 1 1.362 0.02 . 1 . . 2 . 737 A QB . 17080 1
2064 . 2 2 2 2 ALA HB2 H 1 1.362 0.02 . 1 . . 2 . 737 A QB . 17080 1
2065 . 2 2 2 2 ALA HB3 H 1 1.362 0.02 . 1 . . 2 . 737 A QB . 17080 1
2066 . 2 2 3 3 LYS H H 1 8.025 0.02 . 1 . . 2 . 738 K H . 17080 1
2067 . 2 2 3 3 LYS HA H 1 4.257 0.02 . 1 . . 2 . 738 K HA . 17080 1
2068 . 2 2 3 3 LYS HB2 H 1 1.637 0.02 . 2 . . 2 . 738 K HB2 . 17080 1
2069 . 2 2 3 3 LYS HB3 H 1 1.774 0.02 . 2 . . 2 . 738 K HB3 . 17080 1
2070 . 2 2 4 4 TRP H H 1 7.771 0.02 . 1 . . 2 . 739 W H . 17080 1
2071 . 2 2 4 4 TRP HA H 1 4.681 0.02 . 1 . . 2 . 739 W HA . 17080 1
2072 . 2 2 4 4 TRP HB2 H 1 3.246 0.02 . 2 . . 2 . 739 W HB2 . 17080 1
2073 . 2 2 4 4 TRP HB3 H 1 3.287 0.02 . 2 . . 2 . 739 W HB3 . 17080 1
2074 . 2 2 4 4 TRP HD1 H 1 7.203 0.02 . 1 . . 2 . 739 W HD1 . 17080 1
2075 . 2 2 4 4 TRP HE1 H 1 10.140 0.02 . 1 . . 2 . 739 W HE1 . 17080 1
2076 . 2 2 4 4 TRP HE3 H 1 7.592 0.02 . 1 . . 2 . 739 W HE3 . 17080 1
2077 . 2 2 4 4 TRP HH2 H 1 7.132 0.02 . 1 . . 2 . 739 W HH2 . 17080 1
2078 . 2 2 4 4 TRP HZ2 H 1 7.217 0.02 . 1 . . 2 . 739 W HZ2 . 17080 1
2079 . 2 2 4 4 TRP HZ3 H 1 7.464 0.02 . 1 . . 2 . 739 W HZ3 . 17080 1
2080 . 2 2 5 5 ASP H H 1 8.018 0.02 . 1 . . 2 . 740 D H . 17080 1
2081 . 2 2 5 5 ASP HA H 1 4.610 0.02 . 1 . . 2 . 740 D HA . 17080 1
2082 . 2 2 5 5 ASP HB2 H 1 2.477 0.02 . 2 . . 2 . 740 D HB2 . 17080 1
2083 . 2 2 5 5 ASP HB3 H 1 2.581 0.02 . 2 . . 2 . 740 D HB3 . 17080 1
2084 . 2 2 6 6 THR H H 1 7.941 0.02 . 1 . . 2 . 741 T H . 17080 1
2085 . 2 2 6 6 THR HA H 1 4.212 0.02 . 1 . . 2 . 741 T HA . 17080 1
2086 . 2 2 6 6 THR HB H 1 4.051 0.02 . 1 . . 2 . 741 T HB . 17080 1
2087 . 2 2 6 6 THR HG21 H 1 1.137 0.02 . 1 . . 2 . 741 T QG2 . 17080 1
2088 . 2 2 6 6 THR HG22 H 1 1.137 0.02 . 1 . . 2 . 741 T QG2 . 17080 1
2089 . 2 2 6 6 THR HG23 H 1 1.137 0.02 . 1 . . 2 . 741 T QG2 . 17080 1
2090 . 2 2 7 7 ALA H H 1 8.229 0.02 . 1 . . 2 . 742 A H . 17080 1
2091 . 2 2 7 7 ALA HA H 1 4.286 0.02 . 1 . . 2 . 742 A HA . 17080 1
2092 . 2 2 7 7 ALA HB1 H 1 1.365 0.02 . 1 . . 2 . 742 A QB . 17080 1
2093 . 2 2 7 7 ALA HB2 H 1 1.365 0.02 . 1 . . 2 . 742 A QB . 17080 1
2094 . 2 2 7 7 ALA HB3 H 1 1.365 0.02 . 1 . . 2 . 742 A QB . 17080 1
2095 . 2 2 8 8 ASN H H 1 8.150 0.02 . 1 . . 2 . 743 N H . 17080 1
2096 . 2 2 8 8 ASN HA H 1 4.627 0.02 . 1 . . 2 . 743 N HA . 17080 1
2097 . 2 2 8 8 ASN HB2 H 1 2.655 0.02 . 2 . . 2 . 743 N HB2 . 17080 1
2098 . 2 2 8 8 ASN HB3 H 1 2.761 0.02 . 2 . . 2 . 743 N HB3 . 17080 1
2099 . 2 2 8 8 ASN HD21 H 1 7.570 0.02 . 2 . . 2 . 743 N HD21 . 17080 1
2100 . 2 2 8 8 ASN HD22 H 1 6.843 0.02 . 2 . . 2 . 743 N HD22 . 17080 1
2101 . 2 2 9 9 ASN H H 1 8.112 0.02 . 1 . . 2 . 744 N H . 17080 1
2102 . 2 2 9 9 ASN HA H 1 4.880 0.02 . 1 . . 2 . 744 N HA . 17080 1
2103 . 2 2 9 9 ASN HB2 H 1 2.761 0.02 . 2 . . 2 . 744 N HB2 . 17080 1
2104 . 2 2 9 9 ASN HB3 H 1 2.644 0.02 . 2 . . 2 . 744 N HB3 . 17080 1
2105 . 2 2 9 9 ASN HD21 H 1 7.643 0.02 . 2 . . 2 . 744 N HD21 . 17080 1
2106 . 2 2 9 9 ASN HD22 H 1 6.831 0.02 . 2 . . 2 . 744 N HD22 . 17080 1
2107 . 2 2 10 10 PRO HA H 1 4.350 0.02 . 1 . . 2 . 745 P HA . 17080 1
2108 . 2 2 10 10 PRO HB2 H 1 1.885 0.02 . 2 . . 2 . 745 P HB2 . 17080 1
2109 . 2 2 10 10 PRO HB3 H 1 2.258 0.02 . 2 . . 2 . 745 P HB3 . 17080 1
2110 . 2 2 10 10 PRO HD2 H 1 3.726 0.02 . 2 . . 2 . 745 P HD2 . 17080 1
2111 . 2 2 10 10 PRO HD3 H 1 3.726 0.02 . 2 . . 2 . 745 P HD3 . 17080 1
2112 . 2 2 10 10 PRO HG2 H 1 1.981 0.02 . 2 . . 2 . 745 P HG2 . 17080 1
2113 . 2 2 10 10 PRO HG3 H 1 1.936 0.02 . 2 . . 2 . 745 P HG3 . 17080 1
2114 . 2 2 11 11 LEU H H 1 8.010 0.02 . 1 . . 2 . 746 L H . 17080 1
2115 . 2 2 11 11 LEU HA H 1 4.371 0.02 . 1 . . 2 . 746 L HA . 17080 1
2116 . 2 2 11 11 LEU HB2 H 1 1.638 0.02 . 2 . . 2 . 746 L HB2 . 17080 1
2117 . 2 2 11 11 LEU HB3 H 1 1.638 0.02 . 2 . . 2 . 746 L HB3 . 17080 1
2118 . 2 2 11 11 LEU HD11 H 1 0.902 0.02 . 1 . . 2 . 746 L QD1 . 17080 1
2119 . 2 2 11 11 LEU HD12 H 1 0.902 0.02 . 1 . . 2 . 746 L QD1 . 17080 1
2120 . 2 2 11 11 LEU HD13 H 1 0.902 0.02 . 1 . . 2 . 746 L QD1 . 17080 1
2121 . 2 2 11 11 LEU HD21 H 1 0.902 0.02 . 1 . . 2 . 746 L QD2 . 17080 1
2122 . 2 2 11 11 LEU HD22 H 1 0.902 0.02 . 1 . . 2 . 746 L QD2 . 17080 1
2123 . 2 2 11 11 LEU HD23 H 1 0.902 0.02 . 1 . . 2 . 746 L QD2 . 17080 1
2124 . 2 2 11 11 LEU HG H 1 1.385 0.02 . 1 . . 2 . 746 L HG . 17080 1
2125 . 2 2 12 12 PTR H H 1 7.766 0.02 . 1 . . 2 . 747 X H . 17080 1
2126 . 2 2 12 12 PTR HA H 1 4.535 0.02 . 1 . . 2 . 747 X HA . 17080 1
2127 . 2 2 12 12 PTR HB2 H 1 3.091 0.02 . 1 . . 2 . 747 X HB2 . 17080 1
2128 . 2 2 12 12 PTR HB3 H 1 3.001 0.02 . 1 . . 2 . 747 X HB3 . 17080 1
2129 . 2 2 12 12 PTR HD1 H 1 7.106 0.02 . 1 . . 2 . 747 X QD . 17080 1
2130 . 2 2 12 12 PTR HD2 H 1 7.106 0.02 . 1 . . 2 . 747 X QD . 17080 1
2131 . 2 2 13 13 LYS H H 1 7.882 0.02 . 1 . . 2 . 748 K H . 17080 1
2132 . 2 2 13 13 LYS HA H 1 4.187 0.02 . 1 . . 2 . 748 K HA . 17080 1
2133 . 2 2 13 13 LYS HB2 H 1 1.737 0.02 . 2 . . 2 . 748 K HB2 . 17080 1
2134 . 2 2 13 13 LYS HB3 H 1 1.737 0.02 . 2 . . 2 . 748 K HB3 . 17080 1
2135 . 2 2 13 13 LYS HD2 H 1 1.641 0.02 . 2 . . 2 . 748 K HD2 . 17080 1
2136 . 2 2 13 13 LYS HD3 H 1 1.641 0.02 . 2 . . 2 . 748 K HD3 . 17080 1
2137 . 2 2 13 13 LYS HE2 H 1 2.936 0.02 . 2 . . 2 . 748 K HE2 . 17080 1
2138 . 2 2 13 13 LYS HE3 H 1 2.936 0.02 . 2 . . 2 . 748 K HE3 . 17080 1
2139 . 2 2 13 13 LYS HG2 H 1 1.250 0.02 . 2 . . 2 . 748 K HG2 . 17080 1
2140 . 2 2 13 13 LYS HG3 H 1 1.250 0.02 . 2 . . 2 . 748 K HG3 . 17080 1
2141 . 2 2 14 14 GLU H H 1 8.245 0.02 . 1 . . 2 . 749 E H . 17080 1
2142 . 2 2 14 14 GLU HA H 1 4.219 0.02 . 1 . . 2 . 749 E HA . 17080 1
2143 . 2 2 14 14 GLU HB2 H 1 1.934 0.02 . 2 . . 2 . 749 E HB2 . 17080 1
2144 . 2 2 14 14 GLU HB3 H 1 2.048 0.02 . 2 . . 2 . 749 E HB3 . 17080 1
2145 . 2 2 14 14 GLU HG2 H 1 2.268 0.02 . 2 . . 2 . 749 E HG2 . 17080 1
2146 . 2 2 14 14 GLU HG3 H 1 2.268 0.02 . 2 . . 2 . 749 E HG3 . 17080 1
2147 . 2 2 15 15 ALA H H 1 8.325 0.02 . 1 . . 2 . 750 A H . 17080 1
2148 . 2 2 15 15 ALA HA H 1 4.220 0.02 . 1 . . 2 . 750 A HA . 17080 1
2149 . 2 2 15 15 ALA HB1 H 1 1.405 0.02 . 1 . . 2 . 750 A QB . 17080 1
2150 . 2 2 15 15 ALA HB2 H 1 1.405 0.02 . 1 . . 2 . 750 A QB . 17080 1
2151 . 2 2 15 15 ALA HB3 H 1 1.405 0.02 . 1 . . 2 . 750 A QB . 17080 1
2152 . 2 2 16 16 THR H H 1 8.044 0.02 . 1 . . 2 . 751 T H . 17080 1
2153 . 2 2 16 16 THR HA H 1 4.311 0.02 . 1 . . 2 . 751 T HA . 17080 1
2154 . 2 2 16 16 THR HB H 1 4.131 0.02 . 1 . . 2 . 751 T HB . 17080 1
2155 . 2 2 16 16 THR HG21 H 1 1.186 0.02 . 1 . . 2 . 751 T QG2 . 17080 1
2156 . 2 2 16 16 THR HG22 H 1 1.186 0.02 . 1 . . 2 . 751 T QG2 . 17080 1
2157 . 2 2 16 16 THR HG23 H 1 1.186 0.02 . 1 . . 2 . 751 T QG2 . 17080 1
2158 . 2 2 17 17 SER H H 1 8.241 0.02 . 1 . . 2 . 752 S H . 17080 1
2159 . 2 2 17 17 SER HA H 1 4.500 0.02 . 1 . . 2 . 752 S HA . 17080 1
2160 . 2 2 17 17 SER HB2 H 1 3.945 0.02 . 2 . . 2 . 752 S HB2 . 17080 1
2161 . 2 2 17 17 SER HB3 H 1 3.945 0.02 . 2 . . 2 . 752 S HB3 . 17080 1
2162 . 2 2 18 18 THR H H 1 7.993 0.02 . 1 . . 2 . 753 T H . 17080 1
2163 . 2 2 18 18 THR HA H 1 4.275 0.02 . 1 . . 2 . 753 T HA . 17080 1
2164 . 2 2 18 18 THR HB H 1 4.134 0.02 . 1 . . 2 . 753 T HB . 17080 1
2165 . 2 2 18 18 THR HG21 H 1 1.148 0.02 . 1 . . 2 . 753 T QG2 . 17080 1
2166 . 2 2 18 18 THR HG22 H 1 1.148 0.02 . 1 . . 2 . 753 T QG2 . 17080 1
2167 . 2 2 18 18 THR HG23 H 1 1.148 0.02 . 1 . . 2 . 753 T QG2 . 17080 1
2168 . 2 2 19 19 PHE H H 1 8.117 0.02 . 1 . . 2 . 754 F H . 17080 1
2169 . 2 2 19 19 PHE HA H 1 4.556 0.02 . 1 . . 2 . 754 F HA . 17080 1
2170 . 2 2 19 19 PHE HB2 H 1 3.008 0.02 . 2 . . 2 . 754 F HB2 . 17080 1
2171 . 2 2 19 19 PHE HB3 H 1 3.067 0.02 . 2 . . 2 . 754 F HB3 . 17080 1
2172 . 2 2 19 19 PHE HD1 H 1 7.154 0.02 . 3 . . 2 . 754 F QD . 17080 1
2173 . 2 2 19 19 PHE HD2 H 1 7.154 0.02 . 3 . . 2 . 754 F QD . 17080 1
2174 . 2 2 19 19 PHE HE1 H 1 7.130 0.02 . 3 . . 2 . 754 F QE . 17080 1
2175 . 2 2 19 19 PHE HE2 H 1 7.130 0.02 . 3 . . 2 . 754 F QE . 17080 1
2176 . 2 2 20 20 THR H H 1 8.050 0.02 . 1 . . 2 . 755 T H . 17080 1
2177 . 2 2 20 20 THR HA H 1 4.311 0.02 . 1 . . 2 . 755 T HA . 17080 1
2178 . 2 2 20 20 THR HB H 1 4.222 0.02 . 1 . . 2 . 755 T HB . 17080 1
2179 . 2 2 20 20 THR HG21 H 1 1.097 0.02 . 1 . . 2 . 755 T QG2 . 17080 1
2180 . 2 2 20 20 THR HG22 H 1 1.097 0.02 . 1 . . 2 . 755 T QG2 . 17080 1
2181 . 2 2 20 20 THR HG23 H 1 1.097 0.02 . 1 . . 2 . 755 T QG2 . 17080 1
2182 . 2 2 21 21 ASN H H 1 8.318 0.02 . 1 . . 2 . 756 N H . 17080 1
2183 . 2 2 21 21 ASN HB2 H 1 2.729 0.02 . 2 . . 2 . 756 N HB2 . 17080 1
2184 . 2 2 21 21 ASN HB3 H 1 2.808 0.02 . 2 . . 2 . 756 N HB3 . 17080 1
2185 . 2 2 21 21 ASN HD21 H 1 7.569 0.02 . 2 . . 2 . 756 N HD21 . 17080 1
2186 . 2 2 21 21 ASN HD22 H 1 6.853 0.02 . 2 . . 2 . 756 N HD22 . 17080 1
2187 . 2 2 22 22 ILE H H 1 8.080 0.02 . 1 . . 2 . 757 I H . 17080 1
2188 . 2 2 22 22 ILE HA H 1 4.214 0.02 . 1 . . 2 . 757 I HA . 17080 1
2189 . 2 2 22 22 ILE HB H 1 1.882 0.02 . 1 . . 2 . 757 I HB . 17080 1
2190 . 2 2 22 22 ILE HD11 H 1 0.859 0.02 . 1 . . 2 . 757 I QD1 . 17080 1
2191 . 2 2 22 22 ILE HD12 H 1 0.859 0.02 . 1 . . 2 . 757 I QD1 . 17080 1
2192 . 2 2 22 22 ILE HD13 H 1 0.859 0.02 . 1 . . 2 . 757 I QD1 . 17080 1
2193 . 2 2 22 22 ILE HG12 H 1 1.173 0.02 . 2 . . 2 . 757 I HG12 . 17080 1
2194 . 2 2 22 22 ILE HG13 H 1 1.173 0.02 . 2 . . 2 . 757 I HG13 . 17080 1
2195 . 2 2 23 23 THR H H 1 8.136 0.02 . 1 . . 2 . 758 T H . 17080 1
2196 . 2 2 23 23 THR HA H 1 4.308 0.02 . 1 . . 2 . 758 T HA . 17080 1
2197 . 2 2 23 23 THR HB H 1 4.129 0.02 . 1 . . 2 . 758 T HB . 17080 1
2198 . 2 2 23 23 THR HG21 H 1 1.140 0.02 . 1 . . 2 . 758 T QG2 . 17080 1
2199 . 2 2 23 23 THR HG22 H 1 1.140 0.02 . 1 . . 2 . 758 T QG2 . 17080 1
2200 . 2 2 23 23 THR HG23 H 1 1.140 0.02 . 1 . . 2 . 758 T QG2 . 17080 1
2201 . 2 2 24 24 PTR H H 1 8.153 0.02 . 1 . . 2 . 759 X H . 17080 1
2202 . 2 2 24 24 PTR HA H 1 4.516 0.02 . 1 . . 2 . 759 X HA . 17080 1
2203 . 2 2 24 24 PTR HB2 H 1 3.015 0.02 . 1 . . 2 . 759 X HB2 . 17080 1
2204 . 2 2 24 24 PTR HB3 H 1 3.159 0.02 . 1 . . 2 . 759 X HB3 . 17080 1
2205 . 2 2 24 24 PTR HD1 H 1 7.327 0.02 . 1 . . 2 . 759 X QD . 17080 1
2206 . 2 2 24 24 PTR HD2 H 1 7.327 0.02 . 1 . . 2 . 759 X QD . 17080 1
2207 . 2 2 24 24 PTR HE1 H 1 7.234 0.02 . 1 . . 2 . 759 X QE . 17080 1
2208 . 2 2 24 24 PTR HE2 H 1 7.234 0.02 . 1 . . 2 . 759 X QE . 17080 1
2209 . 2 2 25 25 ARG H H 1 8.215 0.02 . 1 . . 2 . 760 R H . 17080 1
2210 . 2 2 25 25 ARG HA H 1 4.242 0.02 . 1 . . 2 . 760 R HA . 17080 1
2211 . 2 2 25 25 ARG HB2 H 1 1.726 0.02 . 2 . . 2 . 760 R HB2 . 17080 1
2212 . 2 2 25 25 ARG HB3 H 1 1.792 0.02 . 2 . . 2 . 760 R HB3 . 17080 1
2213 . 2 2 25 25 ARG HG2 H 1 1.402 0.02 . 2 . . 2 . 760 R HG2 . 17080 1
2214 . 2 2 25 25 ARG HG3 H 1 1.402 0.02 . 2 . . 2 . 760 R HG3 . 17080 1
2215 . 2 2 26 26 GLY H H 1 8.057 0.02 . 1 . . 2 . 761 G H . 17080 1
2216 . 2 2 26 26 GLY HA2 H 1 3.980 0.02 . 2 . . 2 . 761 G HA2 . 17080 1
2217 . 2 2 26 26 GLY HA3 H 1 3.943 0.02 . 2 . . 2 . 761 G HA3 . 17080 1
2218 . 2 2 27 27 THR H H 1 7.676 0.02 . 1 . . 2 . 762 T H . 17080 1
2219 . 2 2 27 27 THR HA H 1 4.241 0.02 . 1 . . 2 . 762 T HA . 17080 1
2220 . 2 2 27 27 THR HB H 1 4.154 0.02 . 1 . . 2 . 762 T HB . 17080 1
2221 . 2 2 27 27 THR HG21 H 1 1.148 0.02 . 1 . . 2 . 762 T QG2 . 17080 1
2222 . 2 2 27 27 THR HG22 H 1 1.148 0.02 . 1 . . 2 . 762 T QG2 . 17080 1
2223 . 2 2 27 27 THR HG23 H 1 1.148 0.02 . 1 . . 2 . 762 T QG2 . 17080 1
stop_
save_
##############################
# Heteronuclear NOE values #
##############################
save_heteronuclear_noe_list_1
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1
_Heteronucl_NOE_list.Entry_ID 17080
_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 599.709
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral'
_Heteronucl_NOE_list.NOE_ref_val 1.15
_Heteronucl_NOE_list.NOE_ref_description .
_Heteronucl_NOE_list.Details .
_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 Het NOE' . . . 17080 1
stop_
loop_
_Heteronucl_NOE_software.Software_ID
_Heteronucl_NOE_software.Software_label
_Heteronucl_NOE_software.Method_ID
_Heteronucl_NOE_software.Method_label
_Heteronucl_NOE_software.Entry_ID
_Heteronucl_NOE_software.Heteronucl_NOE_list_ID
5 $CCPN-Analysis . . 17080 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 22 22 GLN N N 15 . 1 1 22 22 GLN H H 1 0.470295652 . . . 1 18 Gln N 1 18 Gln H 17080 1
2 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 -0.143852174 . . . 1 19 Leu N 1 19 Leu H 17080 1
3 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 -0.172843478 . . . 1 20 Gly N 1 20 Gly H 17080 1
4 . 1 1 25 25 GLY N N 15 . 1 1 25 25 GLY H H 1 -0.138382609 . . . 1 21 Gly N 1 21 Gly H 17080 1
5 . 1 1 26 26 GLU N N 15 . 1 1 26 26 GLU H H 1 0.192921739 . . . 1 22 Glu N 1 22 Glu H 17080 1
6 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.203591304 . . . 1 23 Glu N 1 23 Glu H 17080 1
7 . 1 1 28 28 TRP N N 15 . 1 1 28 28 TRP H H 1 0.330495652 . . . 1 24 Trp N 1 24 Trp H 17080 1
8 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.548808696 . . . 1 28 Gly N 1 28 Gly H 17080 1
9 . 1 1 33 33 SER N N 15 . 1 1 33 33 SER H H 1 0.61613913 . . . 1 29 Ser N 1 29 Ser H 17080 1
10 . 1 1 34 34 PHE N N 15 . 1 1 34 34 PHE H H 1 0.717130435 . . . 1 30 Phe N 1 30 Phe H 17080 1
11 . 1 1 40 40 ARG N N 15 . 1 1 40 40 ARG H H 1 0.112434783 . . . 1 36 Arg H 1 36 Arg H 17080 1
12 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.279973913 . . . 1 37 Gly N 1 37 Gly H 17080 1
13 . 1 1 42 42 TRP N N 15 . 1 1 42 42 TRP H H 1 0.544269565 . . . 1 38 Trp N 1 38 Trp H 17080 1
14 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.641869565 . . . 1 39 Leu N 1 39 Leu H 17080 1
15 . 1 1 44 44 HIS N N 15 . 1 1 44 44 HIS H H 1 0.681069565 . . . 1 40 His N 1 40 His H 17080 1
16 . 1 1 46 46 ASN N N 15 . 1 1 46 46 ASN H H 1 0.775721739 . . . 1 42 Asn N 1 42 Asn H 17080 1
17 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.76113913 . . . 1 43 Asp N 1 43 Asp H 17080 1
18 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.755913043 . . . 1 44 Lys N 1 44 Lys H 17080 1
19 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.755617391 . . . 1 45 Val N 1 45 Val H 17080 1
20 . 1 1 50 50 MET N N 15 . 1 1 50 50 MET H H 1 0.826086957 . . . 1 46 Met N 1 46 Met H 17080 1
21 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.638026087 . . . 1 47 Gly N 1 47 Gly H 17080 1
22 . 1 1 53 53 GLY N N 15 . 1 1 53 53 GLY H H 1 0.744704348 . . . 1 49 Gly N 1 49 Gly H 17080 1
23 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.831104348 . . . 1 50 Val N 1 50 Val H 17080 1
24 . 1 1 55 55 SER N N 15 . 1 1 55 55 SER H H 1 0.80346087 . . . 1 51 Ser N 1 51 Ser H 17080 1
25 . 1 1 56 56 TYR N N 15 . 1 1 56 56 TYR H H 1 0.900086957 . . . 1 52 Tyr N 1 52 Tyr H 17080 1
26 . 1 1 57 57 LEU N N 15 . 1 1 57 57 LEU H H 1 0.748043478 . . . 1 53 Leu N 1 53 Leu H 17080 1
27 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.616286957 . . . 1 54 Val N 1 54 Val H 17080 1
28 . 1 1 59 59 ARG N N 15 . 1 1 59 59 ARG H H 1 0.769878261 . . . 1 55 Arg N 1 55 Arg H 17080 1
29 . 1 1 60 60 TYR N N 15 . 1 1 60 60 TYR H H 1 0.790086957 . . . 1 56 Tyr N 1 56 Tyr H 17080 1
30 . 1 1 61 61 MET N N 15 . 1 1 61 61 MET H H 1 1.022426087 . . . 1 57 Met N 1 57 Met H 17080 1
31 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.8258 . . . 1 58 Gly N 1 58 Gly H 17080 1
32 . 1 1 63 63 CYS N N 15 . 1 1 63 63 CYS H H 1 0.606391304 . . . 1 59 Cys N 1 59 Cys H 17080 1
33 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 0.825286957 . . . 1 60 Val N 1 60 Val H 17080 1
34 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.715547826 . . . 1 61 Glu N 1 61 Glu H 17080 1
35 . 1 1 66 66 VAL N N 15 . 1 1 66 66 VAL H H 1 0.802217391 . . . 1 62 Val N 1 62 Val H 17080 1
36 . 1 1 67 67 LEU N N 15 . 1 1 67 67 LEU H H 1 0.79386087 . . . 1 63 Leu N 1 63 Leu H 17080 1
37 . 1 1 68 68 GLN N N 15 . 1 1 68 68 GLN H H 1 0.653556522 . . . 1 64 Gln N 1 64 Gln H 17080 1
38 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.646478261 . . . 1 67 Arg N 1 67 Arg H 17080 1
39 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.726295652 . . . 1 68 Ala N 1 68 Ala H 17080 1
40 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.686582609 . . . 1 69 Leu N 1 69 Leu H 17080 1
41 . 1 1 74 74 ASP N N 15 . 1 1 74 74 ASP H H 1 0.895130435 . . . 1 70 Asp N 1 70 Asp H 17080 1
42 . 1 1 76 76 ASN N N 15 . 1 1 76 76 ASN H H 1 0.707356522 . . . 1 72 Asn N 1 72 Asn H 17080 1
43 . 1 1 77 77 THR N N 15 . 1 1 77 77 THR H H 1 0.797391304 . . . 1 73 Thr N 1 73 Thr H 17080 1
44 . 1 1 78 78 ARG N N 15 . 1 1 78 78 ARG H H 1 0.717608696 . . . 1 74 Arg N 1 74 Arg H 17080 1
45 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.712756522 . . . 1 76 Gln N 1 76 Gln H 17080 1
46 . 1 1 81 81 VAL N N 15 . 1 1 81 81 VAL H H 1 0.594208696 . . . 1 77 Val N 1 77 Val H 17080 1
47 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.653295652 . . . 1 78 Thr N 1 78 Thr H 17080 1
48 . 1 1 83 83 ARG N N 15 . 1 1 83 83 ARG H H 1 0.5806 . . . 1 79 Arg N 1 79 Arg H 17080 1
49 . 1 1 84 84 GLU N N 15 . 1 1 84 84 GLU H H 1 0.580452174 . . . 1 80 Glu N 1 80 Glu H 17080 1
50 . 1 1 85 85 ALA N N 15 . 1 1 85 85 ALA H H 1 0.625834783 . . . 1 81 Ala N 1 81 Ala H 17080 1
51 . 1 1 86 86 ILE N N 15 . 1 1 86 86 ILE H H 1 0.6756 . . . 1 82 Ile N 1 82 Ile H 17080 1
52 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.66226087 . . . 1 83 Ser N 1 83 Ser H 17080 1
53 . 1 1 88 88 LEU N N 15 . 1 1 88 88 LEU H H 1 0.567147826 . . . 1 84 Leu N 1 84 Leu H 17080 1
54 . 1 1 89 89 VAL N N 15 . 1 1 89 89 VAL H H 1 0.731826087 . . . 1 85 Val N 1 85 Val H 17080 1
55 . 1 1 90 90 CYS N N 15 . 1 1 90 90 CYS H H 1 0.69893913 . . . 1 86 Cys N 1 86 Cys H 17080 1
56 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.789330435 . . . 1 87 Glu N 1 87 Glu H 17080 1
57 . 1 1 92 92 ALA N N 15 . 1 1 92 92 ALA H H 1 0.672043478 . . . 1 88 Ala N 1 88 Ala H 17080 1
58 . 1 1 93 93 VAL N N 15 . 1 1 93 93 VAL H H 1 0.767095652 . . . 1 89 Val N 1 89 Val H 17080 1
59 . 1 1 95 95 GLY N N 15 . 1 1 95 95 GLY H H 1 0.645913043 . . . 1 91 Gly N 1 91 Gly H 17080 1
60 . 1 1 96 96 ALA N N 15 . 1 1 96 96 ALA H H 1 0.647269565 . . . 1 92 Ala N 1 92 Ala H 17080 1
61 . 1 1 97 97 LYS N N 15 . 1 1 97 97 LYS H H 1 0.6042 . . . 1 93 Lys N 1 93 Lys H 17080 1
62 . 1 1 98 98 GLY N N 15 . 1 1 98 98 GLY H H 1 0.559191304 . . . 1 94 Gly N 1 94 Gly H 17080 1
63 . 1 1 99 99 ALA N N 15 . 1 1 99 99 ALA H H 1 0.510286957 . . . 1 95 Ala N 1 95 Ala H 17080 1
64 . 1 1 100 100 THR N N 15 . 1 1 100 100 THR H H 1 0.590347826 . . . 1 96 Thr N 1 96 Thr H 17080 1
65 . 1 1 101 101 ARG N N 15 . 1 1 101 101 ARG H H 1 0.2838 . . . 1 97 Arg N 1 97 Arg H 17080 1
66 . 1 1 102 102 ARG N N 15 . 1 1 102 102 ARG H H 1 0.494973913 . . . 1 98 Arg N 1 98 Arg H 17080 1
67 . 1 1 103 103 ARG N N 15 . 1 1 103 103 ARG H H 1 0.370747826 . . . 1 99 Arg N 1 99 Arg H 17080 1
68 . 1 1 104 104 LYS N N 15 . 1 1 104 104 LYS H H 1 0.384982609 . . . 1 100 Lys N 1 100 Lys H 17080 1
69 . 1 1 106 106 CYS N N 15 . 1 1 106 106 CYS H H 1 0.487704348 . . . 1 102 Cys N 1 102 Cys H 17080 1
70 . 1 1 108 108 ARG N N 15 . 1 1 108 108 ARG H H 1 0.334713043 . . . 1 104 Arg N 1 104 Arg H 17080 1
71 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.481486957 . . . 1 106 Leu N 1 106 Leu H 17080 1
72 . 1 1 111 111 SER N N 15 . 1 1 111 111 SER H H 1 0.814469565 . . . 1 107 Ser N 1 107 Ser H 17080 1
73 . 1 1 112 112 SER N N 15 . 1 1 112 112 SER H H 1 0.870443478 . . . 1 108 Ser N 1 108 Ser H 17080 1
74 . 1 1 113 113 ILE N N 15 . 1 1 113 113 ILE H H 1 0.702704348 . . . 1 109 Ile N 1 109 Ile H 17080 1
75 . 1 1 114 114 LEU N N 15 . 1 1 114 114 LEU H H 1 0.800904348 . . . 1 110 Leu N 1 110 Leu H 17080 1
76 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.803078261 . . . 1 111 Gly N 1 111 Gly H 17080 1
77 . 1 1 116 116 ARG N N 15 . 1 1 116 116 ARG H H 1 0.67226087 . . . 1 112 Arg N 1 112 Arg H 17080 1
78 . 1 1 117 117 SER N N 15 . 1 1 117 117 SER H H 1 0.813930435 . . . 1 113 Ser N 1 113 Ser H 17080 1
79 . 1 1 118 118 ASN N N 15 . 1 1 118 118 ASN H H 1 0.688182609 . . . 1 114 Asn N 1 114 Asn H 17080 1
80 . 1 1 119 119 LEU N N 15 . 1 1 119 119 LEU H H 1 0.80106087 . . . 1 115 Leu N 1 115 Leu H 17080 1
81 . 1 1 120 120 LYS N N 15 . 1 1 120 120 LYS H H 1 0.58273913 . . . 1 116 Lys N 1 116 Lys H 17080 1
82 . 1 1 121 121 PHE N N 15 . 1 1 121 121 PHE H H 1 0.625686957 . . . 1 117 Phe N 1 117 Phe H 17080 1
83 . 1 1 122 122 ALA N N 15 . 1 1 122 122 ALA H H 1 0.653 . . . 1 118 Ala N 1 118 Ala H 17080 1
84 . 1 1 124 124 MET N N 15 . 1 1 124 124 MET H H 1 0.46946087 . . . 1 120 Met N 1 120 Met H 17080 1
85 . 1 1 126 126 ILE N N 15 . 1 1 126 126 ILE H H 1 0.940078261 . . . 1 122 Ile N 1 122 Ile H 17080 1
86 . 1 1 127 127 THR N N 15 . 1 1 127 127 THR H H 1 0.733347826 . . . 1 123 Thr N 1 123 Thr H 17080 1
87 . 1 1 128 128 LEU N N 15 . 1 1 128 128 LEU H H 1 0.9072 . . . 1 124 Leu N 1 124 Leu H 17080 1
88 . 1 1 129 129 THR N N 15 . 1 1 129 129 THR H H 1 0.875130435 . . . 1 125 Thr N 1 125 Thr H 17080 1
89 . 1 1 130 130 VAL N N 15 . 1 1 130 130 VAL H H 1 0.799286957 . . . 1 126 Val N 1 126 Val H 17080 1
90 . 1 1 131 131 SER N N 15 . 1 1 131 131 SER H H 1 0.615 . . . 1 127 Ser N 1 127 Ser H 17080 1
91 . 1 1 132 132 THR N N 15 . 1 1 132 132 THR H H 1 0.875565217 . . . 1 128 Thr N 1 128 Thr H 17080 1
92 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.84893913 . . . 1 130 Ser N 1 130 Ser H 17080 1
93 . 1 1 135 135 LEU N N 15 . 1 1 135 135 LEU H H 1 0.71293913 . . . 1 131 Leu N 1 131 Leu H 17080 1
94 . 1 1 136 136 ASN N N 15 . 1 1 136 136 ASN H H 1 0.634834783 . . . 1 132 Asn N 1 132 Asn H 17080 1
95 . 1 1 137 137 LEU N N 15 . 1 1 137 137 LEU H H 1 0.971217391 . . . 1 133 Leu N 1 133 Leu H 17080 1
96 . 1 1 139 139 ALA N N 15 . 1 1 139 139 ALA H H 1 0.642330435 . . . 1 135 Ala N 1 135 Ala H 17080 1
97 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.624913043 . . . 1 136 Ala N 1 136 Ala H 17080 1
98 . 1 1 141 141 ASP N N 15 . 1 1 141 141 ASP H H 1 0.532156522 . . . 1 137 Asp N 1 137 Asp H 17080 1
99 . 1 1 142 142 CYS N N 15 . 1 1 142 142 CYS H H 1 0.6408 . . . 1 138 Cys N 1 138 Cys H 17080 1
100 . 1 1 143 143 LYS N N 15 . 1 1 143 143 LYS H H 1 0.705104348 . . . 1 139 Lys N 1 139 Lys H 17080 1
101 . 1 1 145 145 ILE N N 15 . 1 1 145 145 ILE H H 1 0.74706087 . . . 1 141 Ile N 1 141 Ile H 17080 1
102 . 1 1 146 146 ILE N N 15 . 1 1 146 146 ILE H H 1 0.779521739 . . . 1 142 Ile N 1 142 Ile H 17080 1
103 . 1 1 148 148 ASN N N 15 . 1 1 148 148 ASN H H 1 0.846008696 . . . 1 144 Asn N 1 144 Asn H 17080 1
104 . 1 1 149 149 HIS N N 15 . 1 1 149 149 HIS H H 1 0.799904348 . . . 1 145 His N 1 145 His H 17080 1
105 . 1 1 150 150 HIS N N 15 . 1 1 150 150 HIS H H 1 0.763121739 . . . 1 146 His N 1 146 His N 17080 1
106 . 1 1 152 152 GLN N N 15 . 1 1 152 152 GLN H H 1 0.734382609 . . . 1 148 Gln N 1 148 Gln H 17080 1
107 . 1 1 153 153 SER N N 15 . 1 1 153 153 SER H H 1 0.794547826 . . . 1 149 Ser N 1 149 Ser H 17080 1
108 . 1 1 154 154 ILE N N 15 . 1 1 154 154 ILE H H 1 0.747686957 . . . 1 150 Ile N 1 150 Ile H 17080 1
109 . 1 1 155 155 SER N N 15 . 1 1 155 155 SER H H 1 0.815156522 . . . 1 151 Ser N 1 151 Ser H 17080 1
110 . 1 1 157 157 ALA N N 15 . 1 1 157 157 ALA H H 1 0.766947826 . . . 1 153 Ala N 1 153 Ala N 17080 1
111 . 1 1 158 158 SER N N 15 . 1 1 158 158 SER H H 1 0.636504348 . . . 1 154 Ser N 1 154 Ser H 17080 1
112 . 1 1 160 160 GLY N N 15 . 1 1 160 160 GLY H H 1 0.592826087 . . . 1 156 Gly N 1 156 Gly H 17080 1
113 . 1 1 161 161 ASP N N 15 . 1 1 161 161 ASP H H 1 0.742478261 . . . 1 157 Asp N 1 157 Asp H 17080 1
114 . 1 1 163 163 ASP N N 15 . 1 1 163 163 ASP H H 1 0.70793913 . . . 1 159 Asp N 1 159 Asp H 17080 1
115 . 1 1 164 164 THR N N 15 . 1 1 164 164 THR H H 1 0.648426087 . . . 1 160 Thr N 1 160 Thr H 17080 1
116 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.617721739 . . . 1 161 Ala N 1 161 Ala H 17080 1
117 . 1 1 167 167 TYR N N 15 . 1 1 167 167 TYR H H 1 0.9568 . . . 1 163 Tyr N 1 163 Tyr H 17080 1
118 . 1 1 168 168 VAL N N 15 . 1 1 168 168 VAL H H 1 0.686530435 . . . 1 164 Val N 1 164 Val H 17080 1
119 . 1 1 169 169 ALA N N 15 . 1 1 169 169 ALA H H 1 0.717191304 . . . 1 165 Ala N 1 165 Ala H 17080 1
120 . 1 1 170 170 TYR N N 15 . 1 1 170 170 TYR H H 1 0.810434783 . . . 1 166 Tyr N 1 166 Tyr H 17080 1
121 . 1 1 171 171 VAL N N 15 . 1 1 171 171 VAL H H 1 0.597826087 . . . 1 167 Val N 1 167 Val H 17080 1
122 . 1 1 172 172 ALA N N 15 . 1 1 172 172 ALA H H 1 0.865591304 . . . 1 168 Ala N 1 168 Ala H 17080 1
123 . 1 1 173 173 LYS N N 15 . 1 1 173 173 LYS H H 1 0.692834783 . . . 1 169 Lys N 1 169 Lys H 17080 1
124 . 1 1 174 174 ASP N N 15 . 1 1 174 174 ASP H H 1 0.998817391 . . . 1 170 Asp N 1 170 Asp H 17080 1
125 . 1 1 176 176 VAL N N 15 . 1 1 176 176 VAL H H 1 0.648434783 . . . 1 172 Val N 1 172 Val H 17080 1
126 . 1 1 177 177 ASN N N 15 . 1 1 177 177 ASN H H 1 0.810330435 . . . 1 173 Asn N 1 173 Asn H 17080 1
127 . 1 1 178 178 GLN N N 15 . 1 1 178 178 GLN H H 1 0.756286957 . . . 1 174 Gln N 1 174 Gln H 17080 1
128 . 1 1 179 179 ARG N N 15 . 1 1 179 179 ARG H H 1 0.712756522 . . . 1 175 Arg N 1 175 Arg H 17080 1
129 . 1 1 180 180 ALA N N 15 . 1 1 180 180 ALA H H 1 0.820678261 . . . 1 176 Ala N 1 176 Ala H 17080 1
130 . 1 1 181 181 CYS N N 15 . 1 1 181 181 CYS H H 1 0.790547826 . . . 1 177 Cys N 1 177 Cys H 17080 1
131 . 1 1 182 182 HIS N N 15 . 1 1 182 182 HIS H H 1 0.89813913 . . . 1 178 His N 1 178 His H 17080 1
132 . 1 1 183 183 ILE N N 15 . 1 1 183 183 ILE H H 1 0.73326087 . . . 1 179 Ile N 1 179 Ile H 17080 1
133 . 1 1 184 184 LEU N N 15 . 1 1 184 184 LEU H H 1 0.76393913 . . . 1 180 Leu N 1 180 Leu H 17080 1
134 . 1 1 185 185 GLU N N 15 . 1 1 185 185 GLU H H 1 0.787 . . . 1 181 Glu N 1 181 Glu H 17080 1
135 . 1 1 186 186 CYS N N 15 . 1 1 186 186 CYS H H 1 0.733104348 . . . 1 182 Cys N 1 182 Cys H 17080 1
136 . 1 1 188 188 GLU N N 15 . 1 1 188 188 GLU H H 1 0.6012 . . . 1 184 Glu N 1 184 Glu H 17080 1
137 . 1 1 189 189 GLY N N 15 . 1 1 189 189 GLY H H 1 0.587130435 . . . 1 185 Gly N 1 185 Gly H 17080 1
138 . 1 1 190 190 LEU N N 15 . 1 1 190 190 LEU H H 1 0.646991304 . . . 1 186 Leu N 1 186 Leu H 17080 1
139 . 1 1 191 191 ALA N N 15 . 1 1 191 191 ALA H H 1 0.6576 . . . 1 187 Ala N 1 187 Ala H 17080 1
140 . 1 1 192 192 GLN N N 15 . 1 1 192 192 GLN H H 1 0.584426087 . . . 1 188 Gln N 1 188 Gln H 17080 1
141 . 1 1 193 193 ASP N N 15 . 1 1 193 193 ASP H H 1 0.683834783 . . . 1 189 Asp N 1 189 Asp H 17080 1
142 . 1 1 194 194 VAL N N 15 . 1 1 194 194 VAL H H 1 0.6608 . . . 1 190 Val N 1 190 Val H 17080 1
143 . 1 1 195 195 ILE N N 15 . 1 1 195 195 ILE H H 1 0.744982609 . . . 1 191 Ile N 1 191 Ile H 17080 1
144 . 1 1 196 196 SER N N 15 . 1 1 196 196 SER H H 1 0.463573913 . . . 1 192 Ser N 1 192 Ser H 17080 1
145 . 1 1 199 199 GLY N N 15 . 1 1 199 199 GLY H H 1 0.642052174 . . . 1 195 Gly N 1 195 Gly H 17080 1
146 . 1 1 201 201 ALA N N 15 . 1 1 201 201 ALA H H 1 0.894947826 . . . 1 197 Ala N 1 197 Ala H 17080 1
147 . 1 1 202 202 PHE N N 15 . 1 1 202 202 PHE H H 1 0.71986087 . . . 1 198 Phe N 1 198 Phe H 17080 1
148 . 1 1 204 204 LEU N N 15 . 1 1 204 204 LEU H H 1 0.889591304 . . . 1 200 Leu N 1 200 Leu H 17080 1
149 . 1 1 205 205 ARG N N 15 . 1 1 205 205 ARG H H 1 0.789678261 . . . 1 201 Arg N 1 201 Arg H 17080 1
150 . 1 1 206 206 PHE N N 15 . 1 1 206 206 PHE H H 1 0.618121739 . . . 1 202 Phe N 1 202 Phe H 17080 1
151 . 1 1 208 208 GLN N N 15 . 1 1 208 208 GLN H H 1 0.330495652 . . . 1 204 Gln N 1 204 Gln H 17080 1
152 . 1 1 209 209 TYR N N 15 . 1 1 209 209 TYR H H 1 0.565078261 . . . 1 205 Tyr N 1 205 Tyr H 17080 1
153 . 1 1 210 210 LEU N N 15 . 1 1 210 210 LEU H H 1 0.374721739 . . . 1 206 Leu N 1 206 Leu H 17080 1
154 . 1 1 211 211 ARG N N 15 . 1 1 211 211 ARG H H 1 -0.077886957 . . . 1 207 Arg N 1 207 Arg H 17080 1
stop_
save_
########################################
# Heteronuclear T1 relaxation values #
########################################
save_heteronuclear_T1_list_1
_Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation
_Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1
_Heteronucl_T1_list.Entry_ID 17080
_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 599.709
_Heteronucl_T1_list.T1_coherence_type NzHz
_Heteronucl_T1_list.T1_val_units s
_Heteronucl_T1_list.Details .
_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
15 '2D 1H-15N T1-HSQC' . . . 17080 1
stop_
loop_
_Heteronucl_T1_software.Software_ID
_Heteronucl_T1_software.Software_label
_Heteronucl_T1_software.Method_ID
_Heteronucl_T1_software.Method_label
_Heteronucl_T1_software.Entry_ID
_Heteronucl_T1_software.Heteronucl_T1_list_ID
5 $CCPN-Analysis . . 17080 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 22 22 GLN N N 15 0.47316092 0.06126919 . 1 18 Gln N 17080 1
2 . 1 1 23 23 LEU N N 15 0.29187707 0.06329586 . 1 19 Leu N 17080 1
3 . 1 1 24 24 GLY N N 15 0.35445511 0.05312648 . 1 20 Gly N 17080 1
4 . 1 1 25 25 GLY N N 15 0.38126286 0.05048631 . 1 21 Gly N 17080 1
5 . 1 1 26 26 GLU N N 15 0.37707117 0.05021768 . 1 22 Glu N 17080 1
6 . 1 1 27 27 GLU N N 15 0.32539909 0.05505941 . 1 23 Glu N 17080 1
7 . 1 1 28 28 TRP N N 15 0.37251953 0.04676418 . 1 24 Trp N 17080 1
8 . 1 1 32 32 GLY N N 15 0.63276685 0.09975934 . 1 28 Gly N 17080 1
9 . 1 1 33 33 SER N N 15 0.72348878 0.07795579 . 1 29 Ser N 17080 1
10 . 1 1 34 34 PHE N N 15 0.52585694 0.09980642 . 1 30 Phe N 17080 1
11 . 1 1 40 40 ARG N N 15 0.30215255 0.04628729 . 1 36 Arg N 17080 1
12 . 1 1 41 41 GLY N N 15 0.36681655 0.05662425 . 1 37 Gly N 17080 1
13 . 1 1 42 42 TRP N N 15 0.49201907 0.07547322 . 1 38 Trp N 17080 1
14 . 1 1 43 43 LEU N N 15 0.56053747 0.07535438 . 1 39 Leu N 17080 1
15 . 1 1 44 44 HIS N N 15 0.77354156 0.05615417 . 1 40 His N 17080 1
16 . 1 1 46 46 ASN N N 15 0.62272897 0.06338723 . 1 42 Asn N 17080 1
17 . 1 1 47 47 ASP N N 15 0.75297325 0.03109915 . 1 43 Asp N 17080 1
18 . 1 1 48 48 LYS N N 15 0.91366731 0.01515425 . 1 44 Lys N 17080 1
19 . 1 1 49 49 VAL N N 15 0.91459469 0.02661644 . 1 45 Val N 17080 1
20 . 1 1 50 50 MET N N 15 0.87029617 0.03446428 . 1 46 Met N 17080 1
21 . 1 1 51 51 GLY N N 15 0.99270439 0.0262778 . 1 47 Gly N 17080 1
22 . 1 1 53 53 GLY N N 15 0.9147213 0.03237331 . 1 49 Gly N 17080 1
23 . 1 1 54 54 VAL N N 15 0.77443311 0.04983951 . 1 50 Val N 17080 1
24 . 1 1 55 55 SER N N 15 0.85882659 0.02839787 . 1 51 Ser N 17080 1
25 . 1 1 56 56 TYR N N 15 0.88450998 0.05472334 . 1 52 Tyr N 17080 1
26 . 1 1 57 57 LEU N N 15 0.95086994 0.03079781 . 1 53 Leu N 17080 1
27 . 1 1 58 58 VAL N N 15 0.83649615 0.04471766 . 1 54 Val N 17080 1
28 . 1 1 59 59 ARG N N 15 0.86039728 0.04171487 . 1 55 Arg N 17080 1
29 . 1 1 60 60 TYR N N 15 0.88409422 0.05409063 . 1 56 Tyr N 17080 1
30 . 1 1 61 61 MET N N 15 0.85077261 0.0431163 . 1 57 Met N 17080 1
31 . 1 1 62 62 GLY N N 15 0.82792683 0.06762769 . 1 58 Gly N 17080 1
32 . 1 1 63 63 CYS N N 15 0.7644835 0.05467651 . 1 59 Cys N 17080 1
33 . 1 1 64 64 VAL N N 15 0.79722717 0.04189062 . 1 60 Val N 17080 1
34 . 1 1 65 65 GLU N N 15 0.84251686 0.04795886 . 1 61 Glu N 17080 1
35 . 1 1 66 66 VAL N N 15 0.79900274 0.04873258 . 1 62 Val N 17080 1
36 . 1 1 67 67 LEU N N 15 0.94915062 0.04193984 . 1 63 Leu N 17080 1
37 . 1 1 68 68 GLN N N 15 0.82271573 0.05658052 . 1 64 Gln N 17080 1
38 . 1 1 71 71 ARG N N 15 0.67685177 0.05048708 . 1 67 Arg N 17080 1
39 . 1 1 72 72 ALA N N 15 0.59230839 0.07993078 . 1 68 Ala N 17080 1
40 . 1 1 73 73 LEU N N 15 0.80875459 0.05309672 . 1 69 Leu N 17080 1
41 . 1 1 74 74 ASP N N 15 0.65873615 0.04470567 . 1 70 Asp N 17080 1
42 . 1 1 76 76 ASN N N 15 0.48162233 0.07441718 . 1 72 Asn N 17080 1
43 . 1 1 77 77 THR N N 15 0.51408586 0.0652941 . 1 73 Thr N 17080 1
44 . 1 1 78 78 ARG N N 15 0.67874858 0.05238688 . 1 74 Arg N 17080 1
45 . 1 1 80 80 GLN N N 15 0.74332882 0.05720138 . 1 76 Gln N 17080 1
46 . 1 1 81 81 VAL N N 15 0.66852053 0.04305013 . 1 77 Val N 17080 1
47 . 1 1 82 82 THR N N 15 0.71723983 0.09771908 . 1 78 Thr N 17080 1
48 . 1 1 83 83 ARG N N 15 0.64944335 0.10867443 . 1 79 Arg N 17080 1
49 . 1 1 84 84 GLU N N 15 0.56874057 0.08311377 . 1 80 Glu N 17080 1
50 . 1 1 85 85 ALA N N 15 0.78352346 0.04038853 . 1 81 Ala N 17080 1
51 . 1 1 86 86 ILE N N 15 0.81948877 0.0432434 . 1 82 Ile N 17080 1
52 . 1 1 87 87 SER N N 15 0.81625663 0.06489205 . 1 83 Ser N 17080 1
53 . 1 1 88 88 LEU N N 15 0.6496777 0.06942667 . 1 84 Leu N 17080 1
54 . 1 1 89 89 VAL N N 15 0.80760939 0.06115597 . 1 85 Val N 17080 1
55 . 1 1 90 90 CYS N N 15 0.79185551 0.02360436 . 1 86 Cys N 17080 1
56 . 1 1 91 91 GLU N N 15 0.76793606 0.04243173 . 1 87 Glu N 17080 1
57 . 1 1 92 92 ALA N N 15 0.79205105 0.04396046 . 1 88 Ala N 17080 1
58 . 1 1 93 93 VAL N N 15 0.88070838 0.03909588 . 1 89 Val N 17080 1
59 . 1 1 95 95 GLY N N 15 0.53396803 0.05846467 . 1 91 Gly N 17080 1
60 . 1 1 96 96 ALA N N 15 0.50600052 0.0429847 . 1 92 Ala N 17080 1
61 . 1 1 97 97 LYS N N 15 0.56849264 0.04286975 . 1 93 Lys N 17080 1
62 . 1 1 98 98 GLY N N 15 0.4030907 0.05635815 . 1 94 Gly N 17080 1
63 . 1 1 99 99 ALA N N 15 0.41223706 0.04863743 . 1 95 Ala N 17080 1
64 . 1 1 100 100 THR N N 15 0.63532092 0.05693454 . 1 96 Thr N 17080 1
65 . 1 1 101 101 ARG N N 15 0.60841022 0.06476148 . 1 97 Arg N 17080 1
66 . 1 1 102 102 ARG N N 15 0.49769198 0.04368459 . 1 98 Arg N 17080 1
67 . 1 1 103 103 ARG N N 15 0.41859684 0.03803509 . 1 99 Arg N 17080 1
68 . 1 1 104 104 LYS N N 15 0.47466746 0.04148713 . 1 100 Lys N 17080 1
69 . 1 1 106 106 CYS N N 15 0.50040811 0.03579308 . 1 102 Cys N 17080 1
70 . 1 1 108 108 ARG N N 15 0.38959694 0.0515654 . 1 104 Arg N 17080 1
71 . 1 1 110 110 LEU N N 15 0.44962453 0.05580511 . 1 106 Leu N 17080 1
72 . 1 1 111 111 SER N N 15 0.48898665 0.04864606 . 1 107 Ser N 17080 1
73 . 1 1 112 112 SER N N 15 0.6606996 0.04450289 . 1 108 Ser N 17080 1
74 . 1 1 113 113 ILE N N 15 0.70386545 0.03263541 . 1 109 Ile N 17080 1
75 . 1 1 114 114 LEU N N 15 0.76728865 0.06103726 . 1 110 Leu N 17080 1
76 . 1 1 115 115 GLY N N 15 0.97770003 0.04352081 . 1 111 Gly N 17080 1
77 . 1 1 116 116 ARG N N 15 0.94996096 0.02702508 . 1 112 Arg N 17080 1
78 . 1 1 117 117 SER N N 15 0.9544639 0.01722825 . 1 113 Ser N 17080 1
79 . 1 1 118 118 ASN N N 15 0.93597925 0.04373539 . 1 114 Asn N 17080 1
80 . 1 1 119 119 LEU N N 15 0.77857979 0.07371266 . 1 115 Leu N 17080 1
81 . 1 1 120 120 LYS N N 15 0.78472547 0.03350304 . 1 116 Lys N 17080 1
82 . 1 1 121 121 PHE N N 15 0.9401737 0.08330538 . 1 117 Phe N 17080 1
83 . 1 1 122 122 ALA N N 15 0.79205105 0.04396046 . 1 118 Ala N 17080 1
84 . 1 1 124 124 MET N N 15 0.56695294 0.06590076 . 1 120 Met N 17080 1
85 . 1 1 126 126 ILE N N 15 0.86493844 0.02612323 . 1 122 Ile N 17080 1
86 . 1 1 127 127 THR N N 15 0.89261663 0.04810424 . 1 123 Thr N 17080 1
87 . 1 1 128 128 LEU N N 15 0.91389011 0.0516437 . 1 124 Leu N 17080 1
88 . 1 1 129 129 THR N N 15 0.85144303 0.03306553 . 1 125 Thr N 17080 1
89 . 1 1 130 130 VAL N N 15 0.86273185 0.04908318 . 1 126 Val N 17080 1
90 . 1 1 131 131 SER N N 15 0.62857934 0.03828687 . 1 127 Ser N 17080 1
91 . 1 1 132 132 THR N N 15 0.89903391 0.03937851 . 1 128 Thr N 17080 1
92 . 1 1 134 134 SER N N 15 0.72965255 0.03615982 . 1 130 Ser N 17080 1
93 . 1 1 135 135 LEU N N 15 0.7551883 0.06582406 . 1 131 Leu N 17080 1
94 . 1 1 136 136 ASN N N 15 0.75767831 0.04236086 . 1 132 Asn N 17080 1
95 . 1 1 137 137 LEU N N 15 0.89880288 0.04200786 . 1 133 Leu N 17080 1
96 . 1 1 139 139 ALA N N 15 0.87195587 0.04512728 . 1 135 Ala N 17080 1
97 . 1 1 140 140 ALA N N 15 0.7580858 0.02169451 . 1 136 Ala N 17080 1
98 . 1 1 141 141 ASP N N 15 0.66799748 0.04696435 . 1 137 Asp N 17080 1
99 . 1 1 142 142 CYS N N 15 0.3761306 0.04916267 . 1 138 Cys N 17080 1
100 . 1 1 143 143 LYS N N 15 0.71842673 0.04824433 . 1 139 Lys N 17080 1
101 . 1 1 145 145 ILE N N 15 0.86654872 0.02444157 . 1 141 Ile N 17080 1
102 . 1 1 146 146 ILE N N 15 0.93648772 0.04301057 . 1 142 Ile N 17080 1
103 . 1 1 148 148 ASN N N 15 0.61323701 0.04468507 . 1 144 Asn N 17080 1
104 . 1 1 149 149 HIS N N 15 0.78419677 0.06232178 . 1 145 His N 17080 1
105 . 1 1 150 150 HIS N N 15 0.6237954 0.07416836 . 1 146 His N 17080 1
106 . 1 1 152 152 GLN N N 15 0.73830458 0.05885718 . 1 148 Gln N 17080 1
107 . 1 1 153 153 SER N N 15 0.71247657 0.03797087 . 1 149 Ser N 17080 1
108 . 1 1 154 154 ILE N N 15 0.74565139 0.05136922 . 1 150 Ile N 17080 1
109 . 1 1 155 155 SER N N 15 0.76302119 0.06222469 . 1 151 Ser N 17080 1
110 . 1 1 157 157 ALA N N 15 0.72036631 0.11293484 . 1 153 Ala N 17080 1
111 . 1 1 158 158 SER N N 15 0.73007021 0.09634652 . 1 154 Ser N 17080 1
112 . 1 1 160 160 GLY N N 15 0.64867343 0.08350584 . 1 156 Gly N 17080 1
113 . 1 1 161 161 ASP N N 15 0.65858989 0.07770043 . 1 157 Asp N 17080 1
114 . 1 1 163 163 ASP N N 15 0.5753036 0.09270952 . 1 159 Asp N 17080 1
115 . 1 1 164 164 THR N N 15 0.612486 0.084012 . 1 160 Thr N 17080 1
116 . 1 1 165 165 ALA N N 15 0.73170852 0.09186166 . 1 161 Ala N 17080 1
117 . 1 1 167 167 TYR N N 15 0.71360311 0.0766613 . 1 163 Tyr N 17080 1
118 . 1 1 168 168 VAL N N 15 0.78457066 0.10790434 . 1 164 Val N 17080 1
119 . 1 1 169 169 ALA N N 15 0.81513125 0.06349639 . 1 165 Ala N 17080 1
120 . 1 1 170 170 TYR N N 15 0.72068004 0.07842874 . 1 166 Tyr N 17080 1
121 . 1 1 171 171 VAL N N 15 0.59593901 0.04447245 . 1 167 Val N 17080 1
122 . 1 1 172 172 ALA N N 15 0.85677621 0.06272361 . 1 168 Ala N 17080 1
123 . 1 1 173 173 LYS N N 15 0.74842386 0.09319736 . 1 169 Lys N 17080 1
124 . 1 1 174 174 ASP N N 15 0.75453761 0.09908438 . 1 170 Asp N 17080 1
125 . 1 1 176 176 VAL N N 15 0.92372914 0.0276497 . 1 172 Val N 17080 1
126 . 1 1 177 177 ASN N N 15 0.93292385 0.03726963 . 1 173 Asn N 17080 1
127 . 1 1 178 178 GLN N N 15 0.81424986 0.02143512 . 1 174 Gln N 17080 1
128 . 1 1 179 179 ARG N N 15 0.73104252 0.05706524 . 1 175 Arg N 17080 1
129 . 1 1 180 180 ALA N N 15 0.80998667 0.05054744 . 1 176 Ala N 17080 1
130 . 1 1 181 181 CYS N N 15 0.87382667 0.04159473 . 1 177 Cys N 17080 1
131 . 1 1 182 182 HIS N N 15 0.92252558 0.04827525 . 1 178 His N 17080 1
132 . 1 1 183 183 ILE N N 15 0.71476027 0.04003853 . 1 179 Ile N 17080 1
133 . 1 1 184 184 LEU N N 15 0.89929246 0.03179549 . 1 180 Leu N 17080 1
134 . 1 1 185 185 GLU N N 15 0.87486856 0.06096222 . 1 181 Glu N 17080 1
135 . 1 1 186 186 CYS N N 15 0.7376017 0.06407069 . 1 182 Cys N 17080 1
136 . 1 1 188 188 GLU N N 15 0.51428087 0.05606192 . 1 184 Glu N 17080 1
137 . 1 1 189 189 GLY N N 15 0.50444689 0.06674325 . 1 185 Gly N 17080 1
138 . 1 1 190 190 LEU N N 15 0.73361117 0.03683909 . 1 186 Leu N 17080 1
139 . 1 1 191 191 ALA N N 15 0.6968475 0.06773469 . 1 187 Ala N 17080 1
140 . 1 1 192 192 GLN N N 15 0.74201777 0.08138276 . 1 188 Gln N 17080 1
141 . 1 1 193 193 ASP N N 15 0.82548266 0.05458413 . 1 189 Asp N 17080 1
142 . 1 1 194 194 VAL N N 15 0.64501051 0.07867065 . 1 190 Val N 17080 1
143 . 1 1 195 195 ILE N N 15 0.64951495 0.07572566 . 1 191 Ile N 17080 1
144 . 1 1 196 196 SER N N 15 0.436426 0.032148 . 1 192 Ser N 17080 1
145 . 1 1 199 199 GLY N N 15 0.70351871 0.05418671 . 1 195 Gly N 17080 1
146 . 1 1 201 201 ALA N N 15 0.67880823 0.04791228 . 1 197 Ala N 17080 1
147 . 1 1 202 202 PHE N N 15 0.70854814 0.04244838 . 1 198 Phe N 17080 1
148 . 1 1 204 204 LEU N N 15 0.30776383 0.06048378 . 1 200 Leu N 17080 1
149 . 1 1 205 205 ARG N N 15 0.91815839 0.05514292 . 1 201 Arg N 17080 1
150 . 1 1 206 206 PHE N N 15 0.63518036 0.07978787 . 1 202 Phe N 17080 1
151 . 1 1 208 208 GLN N N 15 0.37254926 0.04678529 . 1 204 Gln N 17080 1
152 . 1 1 209 209 TYR N N 15 0.69444859 0.04367122 . 1 205 Tyr N 17080 1
153 . 1 1 210 210 LEU N N 15 0.57176943 0.04670553 . 1 206 Leu N 17080 1
154 . 1 1 211 211 ARG N N 15 0.73242469 0.02542524 . 1 207 Arg N 17080 1
stop_
save_
########################################
# Heteronuclear T2 relaxation values #
########################################
save_heteronuclear_T2_list_1
_Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation
_Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1
_Heteronucl_T2_list.Entry_ID 17080
_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 methanol
_Heteronucl_T2_list.Temp_control_method 'single scan interleaving'
_Heteronucl_T2_list.Spectrometer_frequency_1H 599.709
_Heteronucl_T2_list.T2_coherence_type NzHz
_Heteronucl_T2_list.T2_val_units s
_Heteronucl_T2_list.Rex_units .
_Heteronucl_T2_list.Details .
_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
16 '2D 1H-15N T2-HSQC' . . . 17080 1
stop_
loop_
_Heteronucl_T2_software.Software_ID
_Heteronucl_T2_software.Software_label
_Heteronucl_T2_software.Method_ID
_Heteronucl_T2_software.Method_label
_Heteronucl_T2_software.Entry_ID
_Heteronucl_T2_software.Heteronucl_T2_list_ID
5 $CCPN-Analysis . . 17080 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 22 22 GLN N N 15 0.07406856 0.00947634 . . . . 18 Gln N 17080 1
2 . 1 1 23 23 LEU N N 15 0.05209895 0.01615952 . . . . 19 Leu N 17080 1
3 . 1 1 24 24 GLY N N 15 0.08289689 0.01727996 . . . . 20 Gly N 17080 1
4 . 1 1 25 25 GLY N N 15 0.08644338 0.01343519 . . . . 21 Gly N 17080 1
5 . 1 1 26 26 GLU N N 15 0.07021835 0.01123568 . . . . 22 Glu N 17080 1
6 . 1 1 27 27 GLU N N 15 0.05692842 0.0120222 . . . . 23 Glu N 17080 1
7 . 1 1 28 28 TRP N N 15 0.05946201 0.00873816 . . . . 24 Trp N 17080 1
8 . 1 1 32 32 GLY N N 15 0.0321687 0.00553286 . . . . 28 Gly N 17080 1
9 . 1 1 33 33 SER N N 15 0.03151742 0.00455765 . . . . 29 Ser N 17080 1
10 . 1 1 34 34 PHE N N 15 0.03089845 0.00902777 . . . . 30 Phe N 17080 1
11 . 1 1 40 40 ARG N N 15 0.05665372 0.00940788 . . . . 36 Arg N 17080 1
12 . 1 1 41 41 GLY N N 15 0.04325955 0.0079272 . . . . 37 Gly N 17080 1
13 . 1 1 42 42 TRP N N 15 0.03262681 0.00592139 . . . . 38 Trp N 17080 1
14 . 1 1 43 43 LEU N N 15 0.03705512 0.00443011 . . . . 39 Leu N 17080 1
15 . 1 1 44 44 HIS N N 15 0.05157487 0.0029892 . . . . 40 His N 17080 1
16 . 1 1 46 46 ASN N N 15 0.05402074 0.00432024 . . . . 42 Asn N 17080 1
17 . 1 1 47 47 ASP N N 15 0.05511074 0.00132137 . . . . 43 Asp N 17080 1
18 . 1 1 48 48 LYS N N 15 0.06034243 0.0026018 . . . . 44 Lys N 17080 1
19 . 1 1 49 49 VAL N N 15 0.05225832 0.002203 . . . . 45 Val N 17080 1
20 . 1 1 50 50 MET N N 15 0.05664665 0.00153816 . . . . 46 Met N 17080 1
21 . 1 1 51 51 GLY N N 15 0.06384291 0.00207701 . . . . 47 Gly N 17080 1
22 . 1 1 53 53 GLY N N 15 0.05328596 0.00130792 . . . . 49 Gly N 17080 1
23 . 1 1 54 54 VAL N N 15 0.04702493 0.00085448 . . . . 50 Val N 17080 1
24 . 1 1 55 55 SER N N 15 0.05786404 0.00123269 . . . . 51 Ser N 17080 1
25 . 1 1 56 56 TYR N N 15 0.04497687 0.00112971 . . . . 52 Tyr N 17080 1
26 . 1 1 57 57 LEU N N 15 0.05292575 0.00101221 . . . . 53 Leu N 17080 1
27 . 1 1 58 58 VAL N N 15 0.04510091 0.00238384 . . . . 54 Val N 17080 1
28 . 1 1 59 59 ARG N N 15 0.0463039 0.00115926 . . . . 55 Arg N 17080 1
29 . 1 1 60 60 TYR N N 15 0.0434519 0.00243515 . . . . 56 Tyr N 17080 1
30 . 1 1 61 61 MET N N 15 0.06264656 0.00374826 . . . . 57 Met N 17080 1
31 . 1 1 62 62 GLY N N 15 0.05610155 0.00723924 . . . . 58 Gly N 17080 1
32 . 1 1 63 63 CYS N N 15 0.04296697 0.003417 . . . . 59 Cys N 17080 1
33 . 1 1 64 64 VAL N N 15 0.04575481 0.00150938 . . . . 60 Val N 17080 1
34 . 1 1 65 65 GLU N N 15 0.04465342 0.00153896 . . . . 61 Glu N 17080 1
35 . 1 1 66 66 VAL N N 15 0.05176614 0.00209648 . . . . 62 Val N 17080 1
36 . 1 1 67 67 LEU N N 15 0.05918747 0.00178205 . . . . 63 Leu N 17080 1
37 . 1 1 68 68 GLN N N 15 0.05100718 0.00331958 . . . . 64 Gln N 17080 1
38 . 1 1 71 71 ARG N N 15 0.04460358 0.00233634 . . . . 67 Arg N 17080 1
39 . 1 1 72 72 ALA N N 15 0.04244951 0.0057092 . . . . 68 Ala N 17080 1
40 . 1 1 73 73 LEU N N 15 0.05109986 0.00240924 . . . . 69 Leu N 17080 1
41 . 1 1 74 74 ASP N N 15 0.05300104 0.00182141 . . . . 70 Asp N 17080 1
42 . 1 1 76 76 ASN N N 15 0.03577303 0.00464464 . . . . 72 Asn N 17080 1
43 . 1 1 77 77 THR N N 15 0.03125501 0.00306353 . . . . 73 Thr N 17080 1
44 . 1 1 78 78 ARG N N 15 0.05256741 0.00164992 . . . . 74 Arg N 17080 1
45 . 1 1 80 80 GLN N N 15 0.04695023 0.00277249 . . . . 76 Gln N 17080 1
46 . 1 1 81 81 VAL N N 15 0.04800888 0.00223754 . . . . 77 Val N 17080 1
47 . 1 1 82 82 THR N N 15 0.02572841 0.00509075 . . . . 78 Thr N 17080 1
48 . 1 1 83 83 ARG N N 15 0.02626316 0.00446666 . . . . 79 Arg N 17080 1
49 . 1 1 84 84 GLU N N 15 0.03727127 0.00575413 . . . . 80 Glu N 17080 1
50 . 1 1 85 85 ALA N N 15 0.06003484 0.00316613 . . . . 81 Ala N 17080 1
51 . 1 1 86 86 ILE N N 15 0.04514639 0.00364576 . . . . 82 Ile N 17080 1
52 . 1 1 87 87 SER N N 15 0.0508708 0.00372308 . . . . 83 Ser N 17080 1
53 . 1 1 88 88 LEU N N 15 0.04188346 0.00478757 . . . . 84 Leu N 17080 1
54 . 1 1 89 89 VAL N N 15 0.04015081 0.00355753 . . . . 85 Val N 17080 1
55 . 1 1 90 90 CYS N N 15 0.05121625 0.0008232 . . . . 86 Cys N 17080 1
56 . 1 1 91 91 GLU N N 15 0.04634 0.00222459 . . . . 87 Glu N 17080 1
57 . 1 1 92 92 ALA N N 15 0.04908414 0.00258361 . . . . 88 Ala N 17080 1
58 . 1 1 93 93 VAL N N 15 0.05985656 0.00234716 . . . . 89 Val N 17080 1
59 . 1 1 95 95 GLY N N 15 0.0758236 0.00345504 . . . . 91 Gly N 17080 1
60 . 1 1 96 96 ALA N N 15 0.06013926 0.00398282 . . . . 92 Ala N 17080 1
61 . 1 1 97 97 LYS N N 15 0.06094298 0.00396699 . . . . 93 Lys N 17080 1
62 . 1 1 98 98 GLY N N 15 0.04753493 0.00577032 . . . . 94 Gly N 17080 1
63 . 1 1 99 99 ALA N N 15 0.05743064 0.00678783 . . . . 95 Ala N 17080 1
64 . 1 1 100 100 THR N N 15 0.06343829 0.00238476 . . . . 96 Thr N 17080 1
65 . 1 1 101 101 ARG N N 15 0.10694979 0.00716293 . . . . 97 Arg N 17080 1
66 . 1 1 102 102 ARG N N 15 0.07366174 0.00354618 . . . . 98 Arg N 17080 1
67 . 1 1 103 103 ARG N N 15 0.10236573 0.00725765 . . . . 99 Arg N 17080 1
68 . 1 1 104 104 LYS N N 15 0.07365805 0.00397677 . . . . 100 Lys N 17080 1
69 . 1 1 106 106 CYS N N 15 0.05558443 0.00253331 . . . . 102 Cys N 17080 1
70 . 1 1 108 108 ARG N N 15 0.05643495 0.0077708 . . . . 104 Arg N 17080 1
71 . 1 1 110 110 LEU N N 15 0.0472832 0.00617107 . . . . 106 Leu N 17080 1
72 . 1 1 111 111 SER N N 15 0.05454263 0.00222074 . . . . 107 Ser N 17080 1
73 . 1 1 112 112 SER N N 15 0.04901671 0.00212136 . . . . 108 Ser N 17080 1
74 . 1 1 113 113 ILE N N 15 0.0580227 0.0014706 . . . . 109 Ile N 17080 1
75 . 1 1 114 114 LEU N N 15 0.04651371 0.00253794 . . . . 110 Leu N 17080 1
76 . 1 1 115 115 GLY N N 15 0.05644806 0.00159406 . . . . 111 Gly N 17080 1
77 . 1 1 116 116 ARG N N 15 0.05999713 0.00224556 . . . . 112 Arg N 17080 1
78 . 1 1 117 117 SER N N 15 0.05418686 0.00265658 . . . . 113 Ser N 17080 1
79 . 1 1 118 118 ASN N N 15 0.03967938 0.00152286 . . . . 114 Asn N 17080 1
80 . 1 1 119 119 LEU N N 15 0.04828201 0.00237578 . . . . 115 Leu N 17080 1
81 . 1 1 120 120 LYS N N 15 0.06095405 0.00127918 . . . . 116 Lys N 17080 1
82 . 1 1 121 121 PHE N N 15 0.04188507 0.00590279 . . . . 117 Phe N 17080 1
83 . 1 1 122 122 ALA N N 15 0.04908414 0.00258361 . . . . 118 Ala N 17080 1
84 . 1 1 124 124 MET N N 15 0.06989595 0.00529379 . . . . 120 Met N 17080 1
85 . 1 1 126 126 ILE N N 15 0.04679036 0.0022147 . . . . 122 Ile N 17080 1
86 . 1 1 127 127 THR N N 15 0.05451622 0.00195994 . . . . 123 Thr N 17080 1
87 . 1 1 128 128 LEU N N 15 0.05170604 0.00248001 . . . . 124 Leu N 17080 1
88 . 1 1 129 129 THR N N 15 0.06287917 0.00193364 . . . . 125 Thr N 17080 1
89 . 1 1 130 130 VAL N N 15 0.05895208 0.00393133 . . . . 126 Val N 17080 1
90 . 1 1 131 131 SER N N 15 0.07310933 0.00311 . . . . 127 Ser N 17080 1
91 . 1 1 132 132 THR N N 15 0.05968628 0.00391867 . . . . 128 Thr N 17080 1
92 . 1 1 134 134 SER N N 15 0.0513816 0.00191304 . . . . 130 Ser N 17080 1
93 . 1 1 135 135 LEU N N 15 0.03936562 0.00184669 . . . . 131 Leu N 17080 1
94 . 1 1 136 136 ASN N N 15 0.05689495 0.00224994 . . . . 132 Asn N 17080 1
95 . 1 1 137 137 LEU N N 15 0.05373181 0.00163359 . . . . 133 Leu N 17080 1
96 . 1 1 139 139 ALA N N 15 0.03778073 0.00198578 . . . . 135 Ala N 17080 1
97 . 1 1 140 140 ALA N N 15 0.05876911 0.00078655 . . . . 136 Ala N 17080 1
98 . 1 1 141 141 ASP N N 15 0.06122447 0.00217288 . . . . 137 Asp N 17080 1
99 . 1 1 142 142 CYS N N 15 0.02864844 0.00395628 . . . . 138 Cys N 17080 1
100 . 1 1 143 143 LYS N N 15 0.04755668 0.00095602 . . . . 139 Lys N 17080 1
101 . 1 1 145 145 ILE N N 15 0.05903785 0.00202972 . . . . 141 Ile N 17080 1
102 . 1 1 146 146 ILE N N 15 0.05592977 0.00321545 . . . . 142 Ile N 17080 1
103 . 1 1 148 148 ASN N N 15 0.04716362 0.00172889 . . . . 144 Asn N 17080 1
104 . 1 1 149 149 HIS N N 15 0.04741202 0.0021699 . . . . 145 His N 17080 1
105 . 1 1 150 150 HIS N N 15 0.04726501 0.00373562 . . . . 146 His N 17080 1
106 . 1 1 152 152 GLN N N 15 0.04838981 0.00282047 . . . . 148 Gln N 17080 1
107 . 1 1 153 153 SER N N 15 0.04884383 0.00221236 . . . . 149 Ser N 17080 1
108 . 1 1 154 154 ILE N N 15 0.03738324 0.0024252 . . . . 150 Ile N 17080 1
109 . 1 1 155 155 SER N N 15 0.03506788 0.00295771 . . . . 151 Ser N 17080 1
110 . 1 1 157 157 ALA N N 15 0.02644712 0.00469759 . . . . 153 Ala N 17080 1
111 . 1 1 158 158 SER N N 15 0.03855704 0.00626563 . . . . 154 Ser N 17080 1
112 . 1 1 160 160 GLY N N 15 0.03738755 0.00649057 . . . . 156 Gly N 17080 1
113 . 1 1 161 161 ASP N N 15 0.02934372 0.00456208 . . . . 157 Asp N 17080 1
114 . 1 1 163 163 ASP N N 15 0.02400719 0.00577526 . . . . 159 Asp N 17080 1
115 . 1 1 164 164 THR N N 15 0.03343093 0.00506525 . . . . 160 Thr N 17080 1
116 . 1 1 165 165 ALA N N 15 0.03757232 0.00637366 . . . . 161 Ala N 17080 1
117 . 1 1 167 167 TYR N N 15 0.02954891 0.00346145 . . . . 163 Tyr N 17080 1
118 . 1 1 168 168 VAL N N 15 0.0295246 0.00376385 . . . . 164 Val N 17080 1
119 . 1 1 169 169 ALA N N 15 0.04338752 0.003831 . . . . 165 Ala N 17080 1
120 . 1 1 170 170 TYR N N 15 0.03780039 0.00510547 . . . . 166 Tyr N 17080 1
121 . 1 1 171 171 VAL N N 15 0.06316272 0.00482606 . . . . 167 Val N 17080 1
122 . 1 1 172 172 ALA N N 15 0.04571595 0.00247565 . . . . 168 Ala N 17080 1
123 . 1 1 173 173 LYS N N 15 0.03889603 0.00358923 . . . . 169 Lys N 17080 1
124 . 1 1 174 174 ASP N N 15 0.02694531 0.00251094 . . . . 170 Asp N 17080 1
125 . 1 1 176 176 VAL N N 15 0.0521444 0.00187314 . . . . 172 Val N 17080 1
126 . 1 1 177 177 ASN N N 15 0.05643946 0.00278475 . . . . 173 Asn N 17080 1
127 . 1 1 178 178 GLN N N 15 0.05389546 0.00234315 . . . . 174 Gln N 17080 1
128 . 1 1 179 179 ARG N N 15 0.04650607 0.00297396 . . . . 175 Arg N 17080 1
129 . 1 1 180 180 ALA N N 15 0.0473702 0.00100579 . . . . 176 Ala N 17080 1
130 . 1 1 181 181 CYS N N 15 0.04872993 0.00131848 . . . . 177 Cys N 17080 1
131 . 1 1 182 182 HIS N N 15 0.04912901 0.00177774 . . . . 178 His N 17080 1
132 . 1 1 183 183 ILE N N 15 0.05169454 0.00130084 . . . . 179 Ile N 17080 1
133 . 1 1 184 184 LEU N N 15 0.05193119 0.00170182 . . . . 180 Leu N 17080 1
134 . 1 1 185 185 GLU N N 15 0.05035513 0.00366258 . . . . 181 Glu N 17080 1
135 . 1 1 186 186 CYS N N 15 0.0442 0.00567664 . . . . 182 Cys N 17080 1
136 . 1 1 188 188 GLU N N 15 0.04268613 0.00510894 . . . . 184 Glu N 17080 1
137 . 1 1 189 189 GLY N N 15 0.04716643 0.00595653 . . . . 185 Gly N 17080 1
138 . 1 1 190 190 LEU N N 15 0.05480624 0.00244461 . . . . 186 Leu N 17080 1
139 . 1 1 191 191 ALA N N 15 0.0435504 0.00650886 . . . . 187 Ala N 17080 1
140 . 1 1 192 192 GLN N N 15 0.03906919 0.00550135 . . . . 188 Gln N 17080 1
141 . 1 1 193 193 ASP N N 15 0.04227983 0.00312858 . . . . 189 Asp N 17080 1
142 . 1 1 194 194 VAL N N 15 0.03864065 0.00570081 . . . . 190 Val N 17080 1
143 . 1 1 195 195 ILE N N 15 0.02585076 0.00366912 . . . . 191 Ile N 17080 1
144 . 1 1 196 196 SER N N 15 0.03906068 0.00810723 . . . . 192 Ser N 17080 1
145 . 1 1 199 199 GLY N N 15 0.04065502 0.00652187 . . . . 195 Gly N 17080 1
146 . 1 1 201 201 ALA N N 15 0.03422217 0.00252115 . . . . 197 Ala N 17080 1
147 . 1 1 202 202 PHE N N 15 0.04522828 0.00168618 . . . . 198 Phe N 17080 1
148 . 1 1 204 204 LEU N N 15 0.01272766 0.00274489 . . . . 200 Leu N 17080 1
149 . 1 1 205 205 ARG N N 15 0.04266612 0.00146749 . . . . 201 Arg N 17080 1
150 . 1 1 206 206 PHE N N 15 0.02796723 0.00473092 . . . . 202 Phe N 17080 1
151 . 1 1 208 208 GLN N N 15 0.05946201 0.00873816 . . . . 204 Gln N 17080 1
152 . 1 1 209 209 TYR N N 15 0.05215649 0.00362756 . . . . 205 Tyr N 17080 1
153 . 1 1 210 210 LEU N N 15 0.06638687 0.00660681 . . . . 206 Leu N 17080 1
154 . 1 1 211 211 ARG N N 15 0.12862708 0.00525811 . . . . 207 Arg N 17080 1
stop_
save_