data_16077
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16077
_Entry.Title
;
Mouse prion protein fragment mPrP[P105L](91-231) at pH 7.0
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2008-12-22
_Entry.Accession_date 2008-12-22
_Entry.Last_release_date 2008-12-22
_Entry.Original_release_date 2008-12-22
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.0.16
_Entry.Original_NMR_STAR_version 3.0.8.100
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID .
_Entry.Generated_software_label .
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details 'triple resonance assignments HN,N,CO,CA'
_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.ORCID
_Entry_author.Entry_ID
1 Fred Damberger . F. . . 16077
2 Kurt Wuthrich . . . . 16077
3 Simone Hornemann . . . . 16077
4 Christine 'von Schroetter' . . . . 16077
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' . 16077
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
1 . 'ETH Zurich' . 16077
2 . 'Institute for Molecular Biology and Biophysics' . 16077
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'detergent micelles' . 16077
'mouse prion protein variants' . 16077
'pH-dependent conformational transition' . 16077
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 16077
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 268 16077
'15N chemical shifts' 127 16077
'1H chemical shifts' 127 16077
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
2 . . 2009-08-27 2008-12-22 update BMRB 'complete entry citation' 16077
1 . . 2009-06-26 2008-12-22 original author 'original release' 16077
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 16071 mPrP90 16077
BMRB 16075 'mPrP90 (M129V)' 16077
BMRB 16076 'mPrP90 (P102L)' 16077
BMRB 16078 'mPrP90 (A117V)' 16077
BMRB 16079 'mPrP90 (3AV)' 16077
BMRB 16080 'mPrP90 (2II)' 16077
PDB 2JPO 'BMRB Entry Tracking System' 16077
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 16077
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 19546219
_Citation.Full_citation .
_Citation.Title
;
Prion protein-detergent micelle interactions studied by NMR in solution.
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Biol. Chem.'
_Citation.Journal_name_full .
_Citation.Journal_volume 284
_Citation.Journal_issue 34
_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 22713
_Citation.Page_last 22721
_Citation.Year 2009
_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.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Simone Hornemann . . . . 16077 1
2 Christine 'von Schroetter' . . . . 16077 1
3 Fred Damberger . F. . . 16077 1
4 Kurt Wuthrich . . . . 16077 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 16077
_Assembly.ID 1
_Assembly.Name mPrP90_P105L
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds yes
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass 164114.1
_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 mPrP90_P105L 1 $mPrP90_P105L A . yes native no no . . . 16077 1
stop_
loop_
_Bond.ID
_Bond.Type
_Bond.Value_order
_Bond.Assembly_atom_ID_1
_Bond.Entity_assembly_ID_1
_Bond.Entity_assembly_name_1
_Bond.Entity_ID_1
_Bond.Comp_ID_1
_Bond.Comp_index_ID_1
_Bond.Seq_ID_1
_Bond.Atom_ID_1
_Bond.Assembly_atom_ID_2
_Bond.Entity_assembly_ID_2
_Bond.Entity_assembly_name_2
_Bond.Entity_ID_2
_Bond.Comp_ID_2
_Bond.Comp_index_ID_2
_Bond.Seq_ID_2
_Bond.Atom_ID_2
_Bond.Auth_entity_assembly_ID_1
_Bond.Auth_entity_assembly_name_1
_Bond.Auth_asym_ID_1
_Bond.Auth_seq_ID_1
_Bond.Auth_comp_ID_1
_Bond.Auth_atom_ID_1
_Bond.Auth_entity_assembly_ID_2
_Bond.Auth_entity_assembly_name_2
_Bond.Auth_asym_ID_2
_Bond.Auth_seq_ID_2
_Bond.Auth_comp_ID_2
_Bond.Auth_atom_ID_2
_Bond.Entry_ID
_Bond.Assembly_ID
1 disulfide single . 1 mPrP90_P105L 1 CYS 89 89 SG . 1 mPrP90_P105L 1 CYS 124 124 SG . mPrP90_P105L . 179 CYS SG . mPrP90_P105L . 214 CYS SG 16077 1
stop_
loop_
_Entity_deleted_atom.ID
_Entity_deleted_atom.Entity_atom_list_ID
_Entity_deleted_atom.Entity_assembly_ID
_Entity_deleted_atom.Entity_ID
_Entity_deleted_atom.Comp_ID
_Entity_deleted_atom.Comp_index_ID
_Entity_deleted_atom.Seq_ID
_Entity_deleted_atom.Atom_ID
_Entity_deleted_atom.Auth_entity_assembly_ID
_Entity_deleted_atom.Auth_seq_ID
_Entity_deleted_atom.Auth_comp_ID
_Entity_deleted_atom.Auth_atom_ID
_Entity_deleted_atom.Entry_ID
_Entity_deleted_atom.Assembly_ID
1 . 1 1 CYS 89 89 HG . 179 CYS HG 16077 1
2 . 1 1 CYS 124 124 HG . 214 CYS HG 16077 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_mPrP90_P105L
_Entity.Sf_category entity
_Entity.Sf_framecode mPrP90_P105L
_Entity.Entry_ID 16077
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name mPrP90_P105L
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID chain1
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
QGGGTHNQWNKPSKLKTNLK
HVAGAAAAGAVVGGLGGYML
GSAMSRPMIHFGNDWEDRYY
RENMYRYPNQVYYRPVDQYS
NQNNFVHDCVNITIKQHTVT
TTTKGENFTETDVKMMERVV
EQMCVTQYQKESQAYYDGRR
S
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq
;
Q91
G92
G93
...
S231
;
_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 141
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all disulfide bound'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment 'mouse prion protein fragment mPrP(91-231)'
_Entity.Mutation P105L
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 16141.9
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details 'N-terminal GLY89-SER90 remains after thrombin cleavage'
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
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 . GB AAA39997 . . . . . . . . . . . . . . . . 16077 1
stop_
loop_
_Entity_biological_function.Biological_function
_Entity_biological_function.Entry_ID
_Entity_biological_function.Entity_ID
unknown 16077 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 91 GLN . 16077 1
2 92 GLY . 16077 1
3 93 GLY . 16077 1
4 94 GLY . 16077 1
5 95 THR . 16077 1
6 96 HIS . 16077 1
7 97 ASN . 16077 1
8 98 GLN . 16077 1
9 99 TRP . 16077 1
10 100 ASN . 16077 1
11 101 LYS . 16077 1
12 102 PRO . 16077 1
13 103 SER . 16077 1
14 104 LYS . 16077 1
15 105 LEU . 16077 1
16 106 LYS . 16077 1
17 107 THR . 16077 1
18 108 ASN . 16077 1
19 109 LEU . 16077 1
20 110 LYS . 16077 1
21 111 HIS . 16077 1
22 112 VAL . 16077 1
23 113 ALA . 16077 1
24 114 GLY . 16077 1
25 115 ALA . 16077 1
26 116 ALA . 16077 1
27 117 ALA . 16077 1
28 118 ALA . 16077 1
29 119 GLY . 16077 1
30 120 ALA . 16077 1
31 121 VAL . 16077 1
32 122 VAL . 16077 1
33 123 GLY . 16077 1
34 124 GLY . 16077 1
35 125 LEU . 16077 1
36 126 GLY . 16077 1
37 127 GLY . 16077 1
38 128 TYR . 16077 1
39 129 MET . 16077 1
40 130 LEU . 16077 1
41 131 GLY . 16077 1
42 132 SER . 16077 1
43 133 ALA . 16077 1
44 134 MET . 16077 1
45 135 SER . 16077 1
46 136 ARG . 16077 1
47 137 PRO . 16077 1
48 138 MET . 16077 1
49 139 ILE . 16077 1
50 140 HIS . 16077 1
51 141 PHE . 16077 1
52 142 GLY . 16077 1
53 143 ASN . 16077 1
54 144 ASP . 16077 1
55 145 TRP . 16077 1
56 146 GLU . 16077 1
57 147 ASP . 16077 1
58 148 ARG . 16077 1
59 149 TYR . 16077 1
60 150 TYR . 16077 1
61 151 ARG . 16077 1
62 152 GLU . 16077 1
63 153 ASN . 16077 1
64 154 MET . 16077 1
65 155 TYR . 16077 1
66 156 ARG . 16077 1
67 157 TYR . 16077 1
68 158 PRO . 16077 1
69 159 ASN . 16077 1
70 160 GLN . 16077 1
71 161 VAL . 16077 1
72 162 TYR . 16077 1
73 163 TYR . 16077 1
74 164 ARG . 16077 1
75 165 PRO . 16077 1
76 166 VAL . 16077 1
77 167 ASP . 16077 1
78 168 GLN . 16077 1
79 169 TYR . 16077 1
80 170 SER . 16077 1
81 171 ASN . 16077 1
82 172 GLN . 16077 1
83 173 ASN . 16077 1
84 174 ASN . 16077 1
85 175 PHE . 16077 1
86 176 VAL . 16077 1
87 177 HIS . 16077 1
88 178 ASP . 16077 1
89 179 CYS . 16077 1
90 180 VAL . 16077 1
91 181 ASN . 16077 1
92 182 ILE . 16077 1
93 183 THR . 16077 1
94 184 ILE . 16077 1
95 185 LYS . 16077 1
96 186 GLN . 16077 1
97 187 HIS . 16077 1
98 188 THR . 16077 1
99 189 VAL . 16077 1
100 190 THR . 16077 1
101 191 THR . 16077 1
102 192 THR . 16077 1
103 193 THR . 16077 1
104 194 LYS . 16077 1
105 195 GLY . 16077 1
106 196 GLU . 16077 1
107 197 ASN . 16077 1
108 198 PHE . 16077 1
109 199 THR . 16077 1
110 200 GLU . 16077 1
111 201 THR . 16077 1
112 202 ASP . 16077 1
113 203 VAL . 16077 1
114 204 LYS . 16077 1
115 205 MET . 16077 1
116 206 MET . 16077 1
117 207 GLU . 16077 1
118 208 ARG . 16077 1
119 209 VAL . 16077 1
120 210 VAL . 16077 1
121 211 GLU . 16077 1
122 212 GLN . 16077 1
123 213 MET . 16077 1
124 214 CYS . 16077 1
125 215 VAL . 16077 1
126 216 THR . 16077 1
127 217 GLN . 16077 1
128 218 TYR . 16077 1
129 219 GLN . 16077 1
130 220 LYS . 16077 1
131 221 GLU . 16077 1
132 222 SER . 16077 1
133 223 GLN . 16077 1
134 224 ALA . 16077 1
135 225 TYR . 16077 1
136 226 TYR . 16077 1
137 227 ASP . 16077 1
138 228 GLY . 16077 1
139 229 ARG . 16077 1
140 230 ARG . 16077 1
141 231 SER . 16077 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
. GLN 1 1 16077 1
. GLY 2 2 16077 1
. GLY 3 3 16077 1
. GLY 4 4 16077 1
. THR 5 5 16077 1
. HIS 6 6 16077 1
. ASN 7 7 16077 1
. GLN 8 8 16077 1
. TRP 9 9 16077 1
. ASN 10 10 16077 1
. LYS 11 11 16077 1
. PRO 12 12 16077 1
. SER 13 13 16077 1
. LYS 14 14 16077 1
. LEU 15 15 16077 1
. LYS 16 16 16077 1
. THR 17 17 16077 1
. ASN 18 18 16077 1
. LEU 19 19 16077 1
. LYS 20 20 16077 1
. HIS 21 21 16077 1
. VAL 22 22 16077 1
. ALA 23 23 16077 1
. GLY 24 24 16077 1
. ALA 25 25 16077 1
. ALA 26 26 16077 1
. ALA 27 27 16077 1
. ALA 28 28 16077 1
. GLY 29 29 16077 1
. ALA 30 30 16077 1
. VAL 31 31 16077 1
. VAL 32 32 16077 1
. GLY 33 33 16077 1
. GLY 34 34 16077 1
. LEU 35 35 16077 1
. GLY 36 36 16077 1
. GLY 37 37 16077 1
. TYR 38 38 16077 1
. MET 39 39 16077 1
. LEU 40 40 16077 1
. GLY 41 41 16077 1
. SER 42 42 16077 1
. ALA 43 43 16077 1
. MET 44 44 16077 1
. SER 45 45 16077 1
. ARG 46 46 16077 1
. PRO 47 47 16077 1
. MET 48 48 16077 1
. ILE 49 49 16077 1
. HIS 50 50 16077 1
. PHE 51 51 16077 1
. GLY 52 52 16077 1
. ASN 53 53 16077 1
. ASP 54 54 16077 1
. TRP 55 55 16077 1
. GLU 56 56 16077 1
. ASP 57 57 16077 1
. ARG 58 58 16077 1
. TYR 59 59 16077 1
. TYR 60 60 16077 1
. ARG 61 61 16077 1
. GLU 62 62 16077 1
. ASN 63 63 16077 1
. MET 64 64 16077 1
. TYR 65 65 16077 1
. ARG 66 66 16077 1
. TYR 67 67 16077 1
. PRO 68 68 16077 1
. ASN 69 69 16077 1
. GLN 70 70 16077 1
. VAL 71 71 16077 1
. TYR 72 72 16077 1
. TYR 73 73 16077 1
. ARG 74 74 16077 1
. PRO 75 75 16077 1
. VAL 76 76 16077 1
. ASP 77 77 16077 1
. GLN 78 78 16077 1
. TYR 79 79 16077 1
. SER 80 80 16077 1
. ASN 81 81 16077 1
. GLN 82 82 16077 1
. ASN 83 83 16077 1
. ASN 84 84 16077 1
. PHE 85 85 16077 1
. VAL 86 86 16077 1
. HIS 87 87 16077 1
. ASP 88 88 16077 1
. CYS 89 89 16077 1
. VAL 90 90 16077 1
. ASN 91 91 16077 1
. ILE 92 92 16077 1
. THR 93 93 16077 1
. ILE 94 94 16077 1
. LYS 95 95 16077 1
. GLN 96 96 16077 1
. HIS 97 97 16077 1
. THR 98 98 16077 1
. VAL 99 99 16077 1
. THR 100 100 16077 1
. THR 101 101 16077 1
. THR 102 102 16077 1
. THR 103 103 16077 1
. LYS 104 104 16077 1
. GLY 105 105 16077 1
. GLU 106 106 16077 1
. ASN 107 107 16077 1
. PHE 108 108 16077 1
. THR 109 109 16077 1
. GLU 110 110 16077 1
. THR 111 111 16077 1
. ASP 112 112 16077 1
. VAL 113 113 16077 1
. LYS 114 114 16077 1
. MET 115 115 16077 1
. MET 116 116 16077 1
. GLU 117 117 16077 1
. ARG 118 118 16077 1
. VAL 119 119 16077 1
. VAL 120 120 16077 1
. GLU 121 121 16077 1
. GLN 122 122 16077 1
. MET 123 123 16077 1
. CYS 124 124 16077 1
. VAL 125 125 16077 1
. THR 126 126 16077 1
. GLN 127 127 16077 1
. TYR 128 128 16077 1
. GLN 129 129 16077 1
. LYS 130 130 16077 1
. GLU 131 131 16077 1
. SER 132 132 16077 1
. GLN 133 133 16077 1
. ALA 134 134 16077 1
. TYR 135 135 16077 1
. TYR 136 136 16077 1
. ASP 137 137 16077 1
. GLY 138 138 16077 1
. ARG 139 139 16077 1
. ARG 140 140 16077 1
. SER 141 141 16077 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 16077
_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.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.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Details
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $mPrP90_P105L . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 16077 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 16077
_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_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.Details
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $mPrP90_P105L . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21 . . . . 'pRSET A' . . . 16077 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 16077
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 mPrP90_P105L '[U-99% 13C; U-99% 15N]' . . 1 $mPrP90_P105L . . 1.2 . . mM 0.05 . . . 16077 1
2 'sodium phosphate buffer' 'natural abundance' . . . . . . 5 . . mM . . . . 16077 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 16077
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.03 0.01 M 16077 1
pH 7.0 0.05 pH 16077 1
pressure 1 . atm 16077 1
temperature 293.2 0.2 K 16077 1
stop_
save_
############################
# Computer software used #
############################
save_CARA
_Software.Sf_category software
_Software.Sf_framecode CARA
_Software.Entry_ID 16077
_Software.ID 1
_Software.Type .
_Software.Name CARA
_Software.Version 1.8
_Software.DOI .
_Software.Details 'Computer Aided Resonance Assignment'
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Keller and Wuthrich' . www.nmr.ch 16077 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 16077 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 16077
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details 'TCI (3-channel) cryoprobe with Z-gradients installed'
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
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 16077
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker Avance . 500 'TCI (3-channel) cryoprobe with Z-gradients installed' . . 16077 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 16077
_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 . . . . . . . . . . . . . . . . 16077 1
2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16077 1
3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16077 1
4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16077 1
5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16077 1
6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16077 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 16077
_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.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 16077 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 16077 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 16077 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 16077
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.25
_Assigned_chem_shift_list.Chem_shift_15N_err 0.25
_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 'two times the digital resolution of HSQC15N for 1H and 15N, and HNCA for 13C.'
_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' . . . 16077 1
3 '3D HNCO' . . . 16077 1
4 '3D HNCA' . . . 16077 1
5 '3D HN(CA)CO' . . . 16077 1
6 '3D HNCACB' . . . 16077 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $CARA . . 16077 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.Ambiguity_set_ID
_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 1 1 GLN H H 1 8.323 0.020 . 1 . . . . . 91 GLN H . 16077 1
2 . 1 1 1 1 GLN C C 13 176.576 0.3 . 1 . . . . . 91 GLN C . 16077 1
3 . 1 1 1 1 GLN CA C 13 55.601 0.3 . 1 . . . . . 91 GLN CA . 16077 1
4 . 1 1 1 1 GLN N N 15 120.087 0.3 . 1 . . . . . 91 GLN N . 16077 1
5 . 1 1 2 2 GLY H H 1 8.518 0.020 . 1 . . . . . 92 GLY H . 16077 1
6 . 1 1 2 2 GLY C C 13 174.804 0.3 . 1 . . . . . 92 GLY C . 16077 1
7 . 1 1 2 2 GLY CA C 13 44.891 0.3 . 1 . . . . . 92 GLY CA . 16077 1
8 . 1 1 2 2 GLY N N 15 110.556 0.3 . 1 . . . . . 92 GLY N . 16077 1
9 . 1 1 3 3 GLY H H 1 8.395 0.020 . 1 . . . . . 93 GLY H . 16077 1
10 . 1 1 3 3 GLY C C 13 174.809 0.3 . 1 . . . . . 93 GLY C . 16077 1
11 . 1 1 3 3 GLY CA C 13 44.809 0.3 . 1 . . . . . 93 GLY CA . 16077 1
12 . 1 1 3 3 GLY N N 15 109.074 0.3 . 1 . . . . . 93 GLY N . 16077 1
13 . 1 1 4 4 GLY H H 1 8.396 0.020 . 1 . . . . . 94 GLY H . 16077 1
14 . 1 1 4 4 GLY C C 13 174.551 0.3 . 1 . . . . . 94 GLY C . 16077 1
15 . 1 1 4 4 GLY CA C 13 44.809 0.3 . 1 . . . . . 94 GLY CA . 16077 1
16 . 1 1 4 4 GLY N N 15 109.165 0.3 . 1 . . . . . 94 GLY N . 16077 1
17 . 1 1 5 5 THR H H 1 8.173 0.020 . 1 . . . . . 95 THR H . 16077 1
18 . 1 1 5 5 THR CA C 13 61.661 0.3 . 1 . . . . . 95 THR CA . 16077 1
19 . 1 1 5 5 THR N N 15 113.628 0.3 . 1 . . . . . 95 THR N . 16077 1
20 . 1 1 7 7 ASN C C 13 175.232 0.3 . 1 . . . . . 97 ASN C . 16077 1
21 . 1 1 7 7 ASN CA C 13 52.785 0.3 . 1 . . . . . 97 ASN CA . 16077 1
22 . 1 1 8 8 GLN H H 1 8.379 0.020 . 1 . . . . . 98 GLN H . 16077 1
23 . 1 1 8 8 GLN C C 13 175.789 0.3 . 1 . . . . . 98 GLN C . 16077 1
24 . 1 1 8 8 GLN CA C 13 55.821 0.3 . 1 . . . . . 98 GLN CA . 16077 1
25 . 1 1 8 8 GLN N N 15 120.521 0.3 . 1 . . . . . 98 GLN N . 16077 1
26 . 1 1 9 9 TRP H H 1 8.083 0.020 . 1 . . . . . 99 TRP H . 16077 1
27 . 1 1 9 9 TRP C C 13 175.920 0.3 . 1 . . . . . 99 TRP C . 16077 1
28 . 1 1 9 9 TRP CA C 13 56.764 0.3 . 1 . . . . . 99 TRP CA . 16077 1
29 . 1 1 9 9 TRP N N 15 121.207 0.3 . 1 . . . . . 99 TRP N . 16077 1
30 . 1 1 10 10 ASN H H 1 8.079 0.020 . 1 . . . . . 100 ASN H . 16077 1
31 . 1 1 10 10 ASN C C 13 174.410 0.3 . 1 . . . . . 100 ASN C . 16077 1
32 . 1 1 10 10 ASN CA C 13 52.447 0.3 . 1 . . . . . 100 ASN CA . 16077 1
33 . 1 1 10 10 ASN N N 15 120.173 0.3 . 1 . . . . . 100 ASN N . 16077 1
34 . 1 1 11 11 LYS H H 1 8.017 0.020 . 1 . . . . . 101 LYS H . 16077 1
35 . 1 1 11 11 LYS C C 13 178.558 0.3 . 1 . . . . . 101 LYS C . 16077 1
36 . 1 1 11 11 LYS CA C 13 53.898 0.3 . 1 . . . . . 101 LYS CA . 16077 1
37 . 1 1 11 11 LYS N N 15 122.734 0.3 . 1 . . . . . 101 LYS N . 16077 1
38 . 1 1 12 12 PRO C C 13 177.041 0.3 . 1 . . . . . 102 PRO C . 16077 1
39 . 1 1 12 12 PRO CA C 13 62.807 0.3 . 1 . . . . . 102 PRO CA . 16077 1
40 . 1 1 13 13 SER H H 1 8.473 0.020 . 1 . . . . . 103 SER H . 16077 1
41 . 1 1 13 13 SER C C 13 174.804 0.3 . 1 . . . . . 103 SER C . 16077 1
42 . 1 1 13 13 SER CA C 13 57.952 0.3 . 1 . . . . . 103 SER CA . 16077 1
43 . 1 1 13 13 SER N N 15 116.760 0.3 . 1 . . . . . 103 SER N . 16077 1
44 . 1 1 14 14 LYS C C 13 176.453 0.3 . 1 . . . . . 104 LYS C . 16077 1
45 . 1 1 14 14 LYS CA C 13 56.027 0.3 . 1 . . . . . 104 LYS CA . 16077 1
46 . 1 1 15 15 LEU H H 1 8.208 0.020 . 1 . . . . . 105 LEU H . 16077 1
47 . 1 1 15 15 LEU C C 13 177.331 0.3 . 1 . . . . . 105 LEU C . 16077 1
48 . 1 1 15 15 LEU CA C 13 54.802 0.3 . 1 . . . . . 105 LEU CA . 16077 1
49 . 1 1 15 15 LEU N N 15 123.179 0.3 . 1 . . . . . 105 LEU N . 16077 1
50 . 1 1 16 16 LYS H H 1 8.407 0.020 . 1 . . . . . 106 LYS H . 16077 1
51 . 1 1 16 16 LYS C C 13 176.645 0.3 . 1 . . . . . 106 LYS C . 16077 1
52 . 1 1 16 16 LYS CA C 13 55.896 0.3 . 1 . . . . . 106 LYS CA . 16077 1
53 . 1 1 16 16 LYS N N 15 123.042 0.3 . 1 . . . . . 106 LYS N . 16077 1
54 . 1 1 17 17 THR H H 1 8.141 0.020 . 1 . . . . . 107 THR H . 16077 1
55 . 1 1 17 17 THR C C 13 174.055 0.3 . 1 . . . . . 107 THR C . 16077 1
56 . 1 1 17 17 THR CA C 13 61.342 0.3 . 1 . . . . . 107 THR CA . 16077 1
57 . 1 1 17 17 THR N N 15 115.559 0.3 . 1 . . . . . 107 THR N . 16077 1
58 . 1 1 18 18 ASN H H 1 8.541 0.020 . 1 . . . . . 108 ASN H . 16077 1
59 . 1 1 18 18 ASN C C 13 175.026 0.3 . 1 . . . . . 108 ASN C . 16077 1
60 . 1 1 18 18 ASN CA C 13 52.551 0.3 . 1 . . . . . 108 ASN CA . 16077 1
61 . 1 1 18 18 ASN N N 15 121.611 0.3 . 1 . . . . . 108 ASN N . 16077 1
62 . 1 1 19 19 LEU H H 1 8.256 0.020 . 1 . . . . . 109 LEU H . 16077 1
63 . 1 1 19 19 LEU C C 13 177.238 0.3 . 1 . . . . . 109 LEU C . 16077 1
64 . 1 1 19 19 LEU CA C 13 54.833 0.3 . 1 . . . . . 109 LEU CA . 16077 1
65 . 1 1 19 19 LEU N N 15 123.178 0.3 . 1 . . . . . 109 LEU N . 16077 1
66 . 1 1 20 20 LYS H H 1 8.300 0.020 . 1 . . . . . 110 LYS H . 16077 1
67 . 1 1 20 20 LYS C C 13 176.235 0.3 . 1 . . . . . 110 LYS C . 16077 1
68 . 1 1 20 20 LYS CA C 13 55.940 0.3 . 1 . . . . . 110 LYS CA . 16077 1
69 . 1 1 20 20 LYS N N 15 121.958 0.3 . 1 . . . . . 110 LYS N . 16077 1
70 . 1 1 21 21 HIS H H 1 8.281 0.020 . 1 . . . . . 111 HIS H . 16077 1
71 . 1 1 21 21 HIS C C 13 175.276 0.3 . 1 . . . . . 111 HIS C . 16077 1
72 . 1 1 21 21 HIS CA C 13 55.901 0.3 . 1 . . . . . 111 HIS CA . 16077 1
73 . 1 1 21 21 HIS N N 15 121.577 0.3 . 1 . . . . . 111 HIS N . 16077 1
74 . 1 1 22 22 VAL H H 1 8.037 0.020 . 1 . . . . . 112 VAL H . 16077 1
75 . 1 1 22 22 VAL C C 13 175.578 0.3 . 1 . . . . . 112 VAL C . 16077 1
76 . 1 1 22 22 VAL CA C 13 61.566 0.3 . 1 . . . . . 112 VAL CA . 16077 1
77 . 1 1 22 22 VAL N N 15 123.006 0.3 . 1 . . . . . 112 VAL N . 16077 1
78 . 1 1 23 23 ALA H H 1 8.460 0.020 . 1 . . . . . 113 ALA H . 16077 1
79 . 1 1 23 23 ALA C C 13 178.231 0.3 . 1 . . . . . 113 ALA C . 16077 1
80 . 1 1 23 23 ALA CA C 13 52.348 0.3 . 1 . . . . . 113 ALA CA . 16077 1
81 . 1 1 23 23 ALA N N 15 128.319 0.3 . 1 . . . . . 113 ALA N . 16077 1
82 . 1 1 24 24 GLY H H 1 8.420 0.020 . 1 . . . . . 114 GLY H . 16077 1
83 . 1 1 24 24 GLY C C 13 174.032 0.3 . 1 . . . . . 114 GLY C . 16077 1
84 . 1 1 24 24 GLY CA C 13 44.835 0.3 . 1 . . . . . 114 GLY CA . 16077 1
85 . 1 1 24 24 GLY N N 15 108.920 0.3 . 1 . . . . . 114 GLY N . 16077 1
86 . 1 1 25 25 ALA H H 1 8.166 0.020 . 1 . . . . . 115 ALA H . 16077 1
87 . 1 1 25 25 ALA C C 13 177.758 0.3 . 1 . . . . . 115 ALA C . 16077 1
88 . 1 1 25 25 ALA CA C 13 52.217 0.3 . 1 . . . . . 115 ALA CA . 16077 1
89 . 1 1 25 25 ALA N N 15 124.113 0.3 . 1 . . . . . 115 ALA N . 16077 1
90 . 1 1 26 26 ALA H H 1 8.322 0.020 . 1 . . . . . 116 ALA H . 16077 1
91 . 1 1 26 26 ALA C C 13 177.693 0.3 . 1 . . . . . 116 ALA C . 16077 1
92 . 1 1 26 26 ALA CA C 13 52.258 0.3 . 1 . . . . . 116 ALA CA . 16077 1
93 . 1 1 26 26 ALA N N 15 123.436 0.3 . 1 . . . . . 116 ALA N . 16077 1
94 . 1 1 27 27 ALA H H 1 8.236 0.020 . 1 . . . . . 117 ALA H . 16077 1
95 . 1 1 27 27 ALA C C 13 177.640 0.3 . 1 . . . . . 117 ALA C . 16077 1
96 . 1 1 27 27 ALA CA C 13 52.104 0.3 . 1 . . . . . 117 ALA CA . 16077 1
97 . 1 1 27 27 ALA N N 15 123.558 0.3 . 1 . . . . . 117 ALA N . 16077 1
98 . 1 1 28 28 ALA H H 1 8.264 0.020 . 1 . . . . . 118 ALA H . 16077 1
99 . 1 1 28 28 ALA C C 13 178.271 0.3 . 1 . . . . . 118 ALA C . 16077 1
100 . 1 1 28 28 ALA CA C 13 52.290 0.3 . 1 . . . . . 118 ALA CA . 16077 1
101 . 1 1 28 28 ALA N N 15 123.518 0.3 . 1 . . . . . 118 ALA N . 16077 1
102 . 1 1 29 29 GLY H H 1 8.320 0.020 . 1 . . . . . 119 GLY H . 16077 1
103 . 1 1 29 29 GLY C C 13 173.740 0.3 . 1 . . . . . 119 GLY C . 16077 1
104 . 1 1 29 29 GLY CA C 13 44.777 0.3 . 1 . . . . . 119 GLY CA . 16077 1
105 . 1 1 29 29 GLY N N 15 108.209 0.3 . 1 . . . . . 119 GLY N . 16077 1
106 . 1 1 30 30 ALA H H 1 8.099 0.020 . 1 . . . . . 120 ALA H . 16077 1
107 . 1 1 30 30 ALA C C 13 177.611 0.3 . 1 . . . . . 120 ALA C . 16077 1
108 . 1 1 30 30 ALA CA C 13 51.920 0.3 . 1 . . . . . 120 ALA CA . 16077 1
109 . 1 1 30 30 ALA N N 15 123.817 0.3 . 1 . . . . . 120 ALA N . 16077 1
110 . 1 1 31 31 VAL H H 1 8.166 0.020 . 1 . . . . . 121 VAL H . 16077 1
111 . 1 1 31 31 VAL C C 13 176.403 0.3 . 1 . . . . . 121 VAL C . 16077 1
112 . 1 1 31 31 VAL CA C 13 61.751 0.3 . 1 . . . . . 121 VAL CA . 16077 1
113 . 1 1 31 31 VAL N N 15 119.886 0.3 . 1 . . . . . 121 VAL N . 16077 1
114 . 1 1 32 32 VAL H H 1 8.319 0.020 . 1 . . . . . 122 VAL H . 16077 1
115 . 1 1 32 32 VAL C C 13 176.675 0.3 . 1 . . . . . 122 VAL C . 16077 1
116 . 1 1 32 32 VAL CA C 13 62.063 0.3 . 1 . . . . . 122 VAL CA . 16077 1
117 . 1 1 32 32 VAL N N 15 125.021 0.3 . 1 . . . . . 122 VAL N . 16077 1
118 . 1 1 33 33 GLY H H 1 8.609 0.020 . 1 . . . . . 123 GLY H . 16077 1
119 . 1 1 33 33 GLY C C 13 174.725 0.3 . 1 . . . . . 123 GLY C . 16077 1
120 . 1 1 33 33 GLY CA C 13 44.954 0.3 . 1 . . . . . 123 GLY CA . 16077 1
121 . 1 1 33 33 GLY N N 15 113.662 0.3 . 1 . . . . . 123 GLY N . 16077 1
122 . 1 1 34 34 GLY H H 1 8.302 0.020 . 1 . . . . . 124 GLY H . 16077 1
123 . 1 1 34 34 GLY C C 13 174.410 0.3 . 1 . . . . . 124 GLY C . 16077 1
124 . 1 1 34 34 GLY CA C 13 44.945 0.3 . 1 . . . . . 124 GLY CA . 16077 1
125 . 1 1 34 34 GLY N N 15 108.729 0.3 . 1 . . . . . 124 GLY N . 16077 1
126 . 1 1 35 35 LEU H H 1 8.243 0.020 . 1 . . . . . 125 LEU H . 16077 1
127 . 1 1 35 35 LEU C C 13 177.982 0.3 . 1 . . . . . 125 LEU C . 16077 1
128 . 1 1 35 35 LEU CA C 13 54.515 0.3 . 1 . . . . . 125 LEU CA . 16077 1
129 . 1 1 35 35 LEU N N 15 121.991 0.3 . 1 . . . . . 125 LEU N . 16077 1
130 . 1 1 36 36 GLY H H 1 8.582 0.020 . 1 . . . . . 126 GLY H . 16077 1
131 . 1 1 36 36 GLY C C 13 174.843 0.3 . 1 . . . . . 126 GLY C . 16077 1
132 . 1 1 36 36 GLY CA C 13 45.900 0.3 . 1 . . . . . 126 GLY CA . 16077 1
133 . 1 1 36 36 GLY N N 15 110.221 0.3 . 1 . . . . . 126 GLY N . 16077 1
134 . 1 1 37 37 GLY H H 1 8.418 0.020 . 1 . . . . . 127 GLY H . 16077 1
135 . 1 1 37 37 GLY C C 13 174.000 0.3 . 1 . . . . . 127 GLY C . 16077 1
136 . 1 1 37 37 GLY CA C 13 44.756 0.3 . 1 . . . . . 127 GLY CA . 16077 1
137 . 1 1 37 37 GLY N N 15 109.575 0.3 . 1 . . . . . 127 GLY N . 16077 1
138 . 1 1 38 38 TYR H H 1 7.871 0.020 . 1 . . . . . 128 TYR H . 16077 1
139 . 1 1 38 38 TYR C C 13 175.749 0.3 . 1 . . . . . 128 TYR C . 16077 1
140 . 1 1 38 38 TYR CA C 13 58.012 0.3 . 1 . . . . . 128 TYR CA . 16077 1
141 . 1 1 38 38 TYR N N 15 118.248 0.3 . 1 . . . . . 128 TYR N . 16077 1
142 . 1 1 39 39 MET H H 1 9.134 0.020 . 1 . . . . . 129 MET H . 16077 1
143 . 1 1 39 39 MET C C 13 172.952 0.3 . 1 . . . . . 129 MET C . 16077 1
144 . 1 1 39 39 MET CA C 13 53.245 0.3 . 1 . . . . . 129 MET CA . 16077 1
145 . 1 1 39 39 MET N N 15 121.705 0.3 . 1 . . . . . 129 MET N . 16077 1
146 . 1 1 40 40 LEU H H 1 8.066 0.020 . 1 . . . . . 130 LEU H . 16077 1
147 . 1 1 40 40 LEU C C 13 178.181 0.3 . 1 . . . . . 130 LEU C . 16077 1
148 . 1 1 40 40 LEU CA C 13 52.745 0.3 . 1 . . . . . 130 LEU CA . 16077 1
149 . 1 1 40 40 LEU N N 15 121.460 0.3 . 1 . . . . . 130 LEU N . 16077 1
150 . 1 1 41 41 GLY H H 1 9.430 0.020 . 1 . . . . . 131 GLY H . 16077 1
151 . 1 1 41 41 GLY C C 13 172.834 0.3 . 1 . . . . . 131 GLY C . 16077 1
152 . 1 1 41 41 GLY CA C 13 44.572 0.3 . 1 . . . . . 131 GLY CA . 16077 1
153 . 1 1 41 41 GLY N N 15 115.456 0.3 . 1 . . . . . 131 GLY N . 16077 1
154 . 1 1 42 42 SER H H 1 8.347 0.020 . 1 . . . . . 132 SER H . 16077 1
155 . 1 1 42 42 SER C C 13 175.000 0.3 . 1 . . . . . 132 SER C . 16077 1
156 . 1 1 42 42 SER CA C 13 58.185 0.3 . 1 . . . . . 132 SER CA . 16077 1
157 . 1 1 42 42 SER N N 15 113.970 0.3 . 1 . . . . . 132 SER N . 16077 1
158 . 1 1 43 43 ALA H H 1 8.754 0.020 . 1 . . . . . 133 ALA H . 16077 1
159 . 1 1 43 43 ALA C C 13 177.535 0.3 . 1 . . . . . 133 ALA C . 16077 1
160 . 1 1 43 43 ALA CA C 13 52.545 0.3 . 1 . . . . . 133 ALA CA . 16077 1
161 . 1 1 43 43 ALA N N 15 125.795 0.3 . 1 . . . . . 133 ALA N . 16077 1
162 . 1 1 44 44 MET H H 1 8.804 0.020 . 1 . . . . . 134 MET H . 16077 1
163 . 1 1 44 44 MET C C 13 175.644 0.3 . 1 . . . . . 134 MET C . 16077 1
164 . 1 1 44 44 MET CA C 13 53.533 0.3 . 1 . . . . . 134 MET CA . 16077 1
165 . 1 1 44 44 MET N N 15 121.584 0.3 . 1 . . . . . 134 MET N . 16077 1
166 . 1 1 45 45 SER H H 1 8.467 0.020 . 1 . . . . . 135 SER H . 16077 1
167 . 1 1 45 45 SER C C 13 174.437 0.3 . 1 . . . . . 135 SER C . 16077 1
168 . 1 1 45 45 SER CA C 13 58.261 0.3 . 1 . . . . . 135 SER CA . 16077 1
169 . 1 1 45 45 SER N N 15 116.458 0.3 . 1 . . . . . 135 SER N . 16077 1
170 . 1 1 46 46 ARG H H 1 8.704 0.020 . 1 . . . . . 136 ARG H . 16077 1
171 . 1 1 46 46 ARG C C 13 174.683 0.3 . 1 . . . . . 136 ARG C . 16077 1
172 . 1 1 46 46 ARG CA C 13 54.398 0.3 . 1 . . . . . 136 ARG CA . 16077 1
173 . 1 1 46 46 ARG N N 15 127.061 0.3 . 1 . . . . . 136 ARG N . 16077 1
174 . 1 1 47 47 PRO C C 13 175.723 0.3 . 1 . . . . . 137 PRO C . 16077 1
175 . 1 1 47 47 PRO CA C 13 61.990 0.3 . 1 . . . . . 137 PRO CA . 16077 1
176 . 1 1 48 48 MET H H 1 8.727 0.020 . 1 . . . . . 138 MET H . 16077 1
177 . 1 1 48 48 MET C C 13 175.077 0.3 . 1 . . . . . 138 MET C . 16077 1
178 . 1 1 48 48 MET CA C 13 53.649 0.3 . 1 . . . . . 138 MET CA . 16077 1
179 . 1 1 48 48 MET N N 15 122.186 0.3 . 1 . . . . . 138 MET N . 16077 1
180 . 1 1 49 49 ILE H H 1 6.585 0.020 . 1 . . . . . 139 ILE H . 16077 1
181 . 1 1 49 49 ILE C C 13 173.207 0.3 . 1 . . . . . 139 ILE C . 16077 1
182 . 1 1 49 49 ILE CA C 13 58.800 0.3 . 1 . . . . . 139 ILE CA . 16077 1
183 . 1 1 49 49 ILE N N 15 124.636 0.3 . 1 . . . . . 139 ILE N . 16077 1
184 . 1 1 50 50 HIS H H 1 8.129 0.020 . 1 . . . . . 140 HIS H . 16077 1
185 . 1 1 50 50 HIS C C 13 175.275 0.3 . 1 . . . . . 140 HIS C . 16077 1
186 . 1 1 50 50 HIS CA C 13 54.417 0.3 . 1 . . . . . 140 HIS CA . 16077 1
187 . 1 1 50 50 HIS N N 15 123.192 0.3 . 1 . . . . . 140 HIS N . 16077 1
188 . 1 1 51 51 PHE H H 1 10.374 0.020 . 1 . . . . . 141 PHE H . 16077 1
189 . 1 1 51 51 PHE C C 13 177.102 0.3 . 1 . . . . . 141 PHE C . 16077 1
190 . 1 1 51 51 PHE CA C 13 59.261 0.3 . 1 . . . . . 141 PHE CA . 16077 1
191 . 1 1 51 51 PHE N N 15 125.389 0.3 . 1 . . . . . 141 PHE N . 16077 1
192 . 1 1 52 52 GLY H H 1 8.946 0.020 . 1 . . . . . 142 GLY H . 16077 1
193 . 1 1 52 52 GLY C C 13 173.300 0.3 . 1 . . . . . 142 GLY C . 16077 1
194 . 1 1 52 52 GLY CA C 13 45.317 0.3 . 1 . . . . . 142 GLY CA . 16077 1
195 . 1 1 52 52 GLY N N 15 109.318 0.3 . 1 . . . . . 142 GLY N . 16077 1
196 . 1 1 53 53 ASN H H 1 7.259 0.020 . 1 . . . . . 143 ASN H . 16077 1
197 . 1 1 53 53 ASN C C 13 174.403 0.3 . 1 . . . . . 143 ASN C . 16077 1
198 . 1 1 53 53 ASN CA C 13 52.130 0.3 . 1 . . . . . 143 ASN CA . 16077 1
199 . 1 1 53 53 ASN N N 15 114.532 0.3 . 1 . . . . . 143 ASN N . 16077 1
200 . 1 1 54 54 ASP H H 1 9.034 0.020 . 1 . . . . . 144 ASP H . 16077 1
201 . 1 1 54 54 ASP C C 13 177.940 0.3 . 1 . . . . . 144 ASP C . 16077 1
202 . 1 1 54 54 ASP CA C 13 57.489 0.3 . 1 . . . . . 144 ASP CA . 16077 1
203 . 1 1 54 54 ASP N N 15 123.434 0.3 . 1 . . . . . 144 ASP N . 16077 1
204 . 1 1 55 55 TRP H H 1 8.563 0.020 . 1 . . . . . 145 TRP H . 16077 1
205 . 1 1 55 55 TRP C C 13 179.188 0.3 . 1 . . . . . 145 TRP C . 16077 1
206 . 1 1 55 55 TRP CA C 13 61.511 0.3 . 1 . . . . . 145 TRP CA . 16077 1
207 . 1 1 55 55 TRP N N 15 120.576 0.3 . 1 . . . . . 145 TRP N . 16077 1
208 . 1 1 56 56 GLU H H 1 8.135 0.020 . 1 . . . . . 146 GLU H . 16077 1
209 . 1 1 56 56 GLU C C 13 177.732 0.3 . 1 . . . . . 146 GLU C . 16077 1
210 . 1 1 56 56 GLU CA C 13 59.598 0.3 . 1 . . . . . 146 GLU CA . 16077 1
211 . 1 1 56 56 GLU N N 15 120.797 0.3 . 1 . . . . . 146 GLU N . 16077 1
212 . 1 1 57 57 ASP H H 1 7.912 0.020 . 1 . . . . . 147 ASP H . 16077 1
213 . 1 1 57 57 ASP C C 13 179.074 0.3 . 1 . . . . . 147 ASP C . 16077 1
214 . 1 1 57 57 ASP CA C 13 58.146 0.3 . 1 . . . . . 147 ASP CA . 16077 1
215 . 1 1 57 57 ASP N N 15 119.088 0.3 . 1 . . . . . 147 ASP N . 16077 1
216 . 1 1 58 58 ARG H H 1 8.040 0.020 . 1 . . . . . 148 ARG H . 16077 1
217 . 1 1 58 58 ARG C C 13 177.588 0.3 . 1 . . . . . 148 ARG C . 16077 1
218 . 1 1 58 58 ARG CA C 13 59.338 0.3 . 1 . . . . . 148 ARG CA . 16077 1
219 . 1 1 58 58 ARG N N 15 119.923 0.3 . 1 . . . . . 148 ARG N . 16077 1
220 . 1 1 59 59 TYR H H 1 8.265 0.020 . 1 . . . . . 149 TYR H . 16077 1
221 . 1 1 59 59 TYR C C 13 179.594 0.3 . 1 . . . . . 149 TYR C . 16077 1
222 . 1 1 59 59 TYR CA C 13 61.836 0.3 . 1 . . . . . 149 TYR CA . 16077 1
223 . 1 1 59 59 TYR N N 15 121.062 0.3 . 1 . . . . . 149 TYR N . 16077 1
224 . 1 1 60 60 TYR H H 1 9.033 0.020 . 1 . . . . . 150 TYR H . 16077 1
225 . 1 1 60 60 TYR C C 13 177.042 0.3 . 1 . . . . . 150 TYR C . 16077 1
226 . 1 1 60 60 TYR CA C 13 62.740 0.3 . 1 . . . . . 150 TYR CA . 16077 1
227 . 1 1 60 60 TYR N N 15 120.753 0.3 . 1 . . . . . 150 TYR N . 16077 1
228 . 1 1 61 61 ARG H H 1 7.891 0.020 . 1 . . . . . 151 ARG H . 16077 1
229 . 1 1 61 61 ARG C C 13 179.123 0.3 . 1 . . . . . 151 ARG C . 16077 1
230 . 1 1 61 61 ARG CA C 13 59.664 0.3 . 1 . . . . . 151 ARG CA . 16077 1
231 . 1 1 61 61 ARG N N 15 117.560 0.3 . 1 . . . . . 151 ARG N . 16077 1
232 . 1 1 62 62 GLU H H 1 7.925 0.020 . 1 . . . . . 152 GLU H . 16077 1
233 . 1 1 62 62 GLU C C 13 177.631 0.3 . 1 . . . . . 152 GLU C . 16077 1
234 . 1 1 62 62 GLU CA C 13 57.445 0.3 . 1 . . . . . 152 GLU CA . 16077 1
235 . 1 1 62 62 GLU N N 15 116.104 0.3 . 1 . . . . . 152 GLU N . 16077 1
236 . 1 1 63 63 ASN H H 1 7.561 0.020 . 1 . . . . . 153 ASN H . 16077 1
237 . 1 1 63 63 ASN C C 13 175.537 0.3 . 1 . . . . . 153 ASN C . 16077 1
238 . 1 1 63 63 ASN CA C 13 54.610 0.3 . 1 . . . . . 153 ASN CA . 16077 1
239 . 1 1 63 63 ASN N N 15 115.414 0.3 . 1 . . . . . 153 ASN N . 16077 1
240 . 1 1 64 64 MET H H 1 7.891 0.020 . 1 . . . . . 154 MET H . 16077 1
241 . 1 1 64 64 MET C C 13 176.401 0.3 . 1 . . . . . 154 MET C . 16077 1
242 . 1 1 64 64 MET CA C 13 58.723 0.3 . 1 . . . . . 154 MET CA . 16077 1
243 . 1 1 64 64 MET N N 15 118.658 0.3 . 1 . . . . . 154 MET N . 16077 1
244 . 1 1 65 65 TYR H H 1 7.595 0.020 . 1 . . . . . 155 TYR H . 16077 1
245 . 1 1 65 65 TYR C C 13 175.933 0.3 . 1 . . . . . 155 TYR C . 16077 1
246 . 1 1 65 65 TYR CA C 13 58.896 0.3 . 1 . . . . . 155 TYR CA . 16077 1
247 . 1 1 65 65 TYR N N 15 116.849 0.3 . 1 . . . . . 155 TYR N . 16077 1
248 . 1 1 66 66 ARG H H 1 7.520 0.020 . 1 . . . . . 156 ARG H . 16077 1
249 . 1 1 66 66 ARG C C 13 176.852 0.3 . 1 . . . . . 156 ARG C . 16077 1
250 . 1 1 66 66 ARG CA C 13 55.958 0.3 . 1 . . . . . 156 ARG CA . 16077 1
251 . 1 1 66 66 ARG N N 15 119.126 0.3 . 1 . . . . . 156 ARG N . 16077 1
252 . 1 1 67 67 TYR H H 1 7.456 0.020 . 1 . . . . . 157 TYR H . 16077 1
253 . 1 1 67 67 TYR C C 13 172.831 0.3 . 1 . . . . . 157 TYR C . 16077 1
254 . 1 1 67 67 TYR CA C 13 52.319 0.3 . 1 . . . . . 157 TYR CA . 16077 1
255 . 1 1 67 67 TYR N N 15 121.736 0.3 . 1 . . . . . 157 TYR N . 16077 1
256 . 1 1 68 68 PRO C C 13 175.079 0.3 . 1 . . . . . 158 PRO C . 16077 1
257 . 1 1 68 68 PRO CA C 13 63.143 0.3 . 1 . . . . . 158 PRO CA . 16077 1
258 . 1 1 69 69 ASN H H 1 8.644 0.020 . 1 . . . . . 159 ASN H . 16077 1
259 . 1 1 69 69 ASN C C 13 172.840 0.3 . 1 . . . . . 159 ASN C . 16077 1
260 . 1 1 69 69 ASN CA C 13 51.619 0.3 . 1 . . . . . 159 ASN CA . 16077 1
261 . 1 1 69 69 ASN N N 15 116.477 0.3 . 1 . . . . . 159 ASN N . 16077 1
262 . 1 1 70 70 GLN H H 1 7.297 0.020 . 1 . . . . . 160 GLN H . 16077 1
263 . 1 1 70 70 GLN C C 13 175.014 0.3 . 1 . . . . . 160 GLN C . 16077 1
264 . 1 1 70 70 GLN CA C 13 53.730 0.3 . 1 . . . . . 160 GLN CA . 16077 1
265 . 1 1 70 70 GLN N N 15 114.477 0.3 . 1 . . . . . 160 GLN N . 16077 1
266 . 1 1 71 71 VAL H H 1 8.484 0.020 . 1 . . . . . 161 VAL H . 16077 1
267 . 1 1 71 71 VAL C C 13 174.149 0.3 . 1 . . . . . 161 VAL C . 16077 1
268 . 1 1 71 71 VAL CA C 13 58.249 0.3 . 1 . . . . . 161 VAL CA . 16077 1
269 . 1 1 71 71 VAL N N 15 112.956 0.3 . 1 . . . . . 161 VAL N . 16077 1
270 . 1 1 72 72 TYR H H 1 8.482 0.020 . 1 . . . . . 162 TYR H . 16077 1
271 . 1 1 72 72 TYR C C 13 174.725 0.3 . 1 . . . . . 162 TYR C . 16077 1
272 . 1 1 72 72 TYR CA C 13 56.665 0.3 . 1 . . . . . 162 TYR CA . 16077 1
273 . 1 1 72 72 TYR N N 15 121.828 0.3 . 1 . . . . . 162 TYR N . 16077 1
274 . 1 1 73 73 TYR H H 1 8.516 0.020 . 1 . . . . . 163 TYR H . 16077 1
275 . 1 1 73 73 TYR C C 13 173.587 0.3 . 1 . . . . . 163 TYR C . 16077 1
276 . 1 1 73 73 TYR CA C 13 55.520 0.3 . 1 . . . . . 163 TYR CA . 16077 1
277 . 1 1 73 73 TYR N N 15 111.213 0.3 . 1 . . . . . 163 TYR N . 16077 1
278 . 1 1 74 74 ARG H H 1 7.947 0.020 . 1 . . . . . 164 ARG H . 16077 1
279 . 1 1 74 74 ARG C C 13 178.189 0.3 . 1 . . . . . 164 ARG C . 16077 1
280 . 1 1 74 74 ARG CA C 13 53.138 0.3 . 1 . . . . . 164 ARG CA . 16077 1
281 . 1 1 74 74 ARG N N 15 120.848 0.3 . 1 . . . . . 164 ARG N . 16077 1
282 . 1 1 80 80 SER CA C 13 58.445 0.3 . 1 . . . . . 170 SER CA . 16077 1
283 . 1 1 81 81 ASN C C 13 174.040 0.3 . 1 . . . . . 171 ASN C . 16077 1
284 . 1 1 81 81 ASN CA C 13 51.860 0.3 . 1 . . . . . 171 ASN CA . 16077 1
285 . 1 1 82 82 GLN H H 1 8.667 0.020 . 1 . . . . . 172 GLN H . 16077 1
286 . 1 1 82 82 GLN C C 13 176.937 0.3 . 1 . . . . . 172 GLN C . 16077 1
287 . 1 1 82 82 GLN CA C 13 58.678 0.3 . 1 . . . . . 172 GLN CA . 16077 1
288 . 1 1 82 82 GLN N N 15 120.221 0.3 . 1 . . . . . 172 GLN N . 16077 1
289 . 1 1 83 83 ASN H H 1 8.425 0.020 . 1 . . . . . 173 ASN H . 16077 1
290 . 1 1 83 83 ASN C C 13 177.763 0.3 . 1 . . . . . 173 ASN C . 16077 1
291 . 1 1 83 83 ASN CA C 13 56.113 0.3 . 1 . . . . . 173 ASN CA . 16077 1
292 . 1 1 83 83 ASN N N 15 117.375 0.3 . 1 . . . . . 173 ASN N . 16077 1
293 . 1 1 84 84 ASN H H 1 8.596 0.020 . 1 . . . . . 174 ASN H . 16077 1
294 . 1 1 84 84 ASN C C 13 177.388 0.3 . 1 . . . . . 174 ASN C . 16077 1
295 . 1 1 84 84 ASN CA C 13 55.705 0.3 . 1 . . . . . 174 ASN CA . 16077 1
296 . 1 1 84 84 ASN N N 15 118.486 0.3 . 1 . . . . . 174 ASN N . 16077 1
297 . 1 1 85 85 PHE C C 13 177.546 0.3 . 1 . . . . . 175 PHE C . 16077 1
298 . 1 1 85 85 PHE CA C 13 60.472 0.3 . 1 . . . . . 175 PHE CA . 16077 1
299 . 1 1 86 86 VAL H H 1 8.907 0.020 . 1 . . . . . 176 VAL H . 16077 1
300 . 1 1 86 86 VAL C C 13 176.674 0.3 . 1 . . . . . 176 VAL C . 16077 1
301 . 1 1 86 86 VAL CA C 13 67.370 0.3 . 1 . . . . . 176 VAL CA . 16077 1
302 . 1 1 86 86 VAL N N 15 120.606 0.3 . 1 . . . . . 176 VAL N . 16077 1
303 . 1 1 87 87 HIS H H 1 8.381 0.020 . 1 . . . . . 177 HIS H . 16077 1
304 . 1 1 87 87 HIS C C 13 177.552 0.3 . 1 . . . . . 177 HIS C . 16077 1
305 . 1 1 87 87 HIS CA C 13 59.477 0.3 . 1 . . . . . 177 HIS CA . 16077 1
306 . 1 1 87 87 HIS N N 15 117.862 0.3 . 1 . . . . . 177 HIS N . 16077 1
307 . 1 1 88 88 ASP H H 1 7.444 0.020 . 1 . . . . . 178 ASP H . 16077 1
308 . 1 1 88 88 ASP C C 13 175.890 0.3 . 1 . . . . . 178 ASP C . 16077 1
309 . 1 1 88 88 ASP CA C 13 56.795 0.3 . 1 . . . . . 178 ASP CA . 16077 1
310 . 1 1 88 88 ASP N N 15 118.313 0.3 . 1 . . . . . 178 ASP N . 16077 1
311 . 1 1 89 89 CYS H H 1 8.161 0.020 . 1 . . . . . 179 CYS H . 16077 1
312 . 1 1 89 89 CYS C C 13 177.535 0.3 . 1 . . . . . 179 CYS C . 16077 1
313 . 1 1 89 89 CYS CA C 13 58.240 0.3 . 1 . . . . . 179 CYS CA . 16077 1
314 . 1 1 89 89 CYS N N 15 119.200 0.3 . 1 . . . . . 179 CYS N . 16077 1
315 . 1 1 90 90 VAL H H 1 9.299 0.020 . 1 . . . . . 180 VAL H . 16077 1
316 . 1 1 90 90 VAL C C 13 177.238 0.3 . 1 . . . . . 180 VAL C . 16077 1
317 . 1 1 90 90 VAL CA C 13 65.774 0.3 . 1 . . . . . 180 VAL CA . 16077 1
318 . 1 1 90 90 VAL N N 15 125.161 0.3 . 1 . . . . . 180 VAL N . 16077 1
319 . 1 1 91 91 ASN H H 1 7.601 0.020 . 1 . . . . . 181 ASN H . 16077 1
320 . 1 1 91 91 ASN C C 13 178.546 0.3 . 1 . . . . . 181 ASN C . 16077 1
321 . 1 1 91 91 ASN CA C 13 56.369 0.3 . 1 . . . . . 181 ASN CA . 16077 1
322 . 1 1 91 91 ASN N N 15 116.546 0.3 . 1 . . . . . 181 ASN N . 16077 1
323 . 1 1 92 92 ILE H H 1 8.797 0.020 . 1 . . . . . 182 ILE H . 16077 1
324 . 1 1 92 92 ILE C C 13 177.982 0.3 . 1 . . . . . 182 ILE C . 16077 1
325 . 1 1 92 92 ILE CA C 13 61.724 0.3 . 1 . . . . . 182 ILE CA . 16077 1
326 . 1 1 92 92 ILE N N 15 119.146 0.3 . 1 . . . . . 182 ILE N . 16077 1
327 . 1 1 93 93 THR H H 1 8.162 0.020 . 1 . . . . . 183 THR H . 16077 1
328 . 1 1 93 93 THR C C 13 177.693 0.3 . 1 . . . . . 183 THR C . 16077 1
329 . 1 1 93 93 THR CA C 13 68.145 0.3 . 1 . . . . . 183 THR CA . 16077 1
330 . 1 1 93 93 THR N N 15 118.272 0.3 . 1 . . . . . 183 THR N . 16077 1
331 . 1 1 94 94 ILE H H 1 8.479 0.020 . 1 . . . . . 184 ILE H . 16077 1
332 . 1 1 94 94 ILE C C 13 178.848 0.3 . 1 . . . . . 184 ILE C . 16077 1
333 . 1 1 94 94 ILE CA C 13 66.166 0.3 . 1 . . . . . 184 ILE CA . 16077 1
334 . 1 1 94 94 ILE N N 15 121.288 0.3 . 1 . . . . . 184 ILE N . 16077 1
335 . 1 1 95 95 LYS H H 1 8.150 0.020 . 1 . . . . . 185 LYS H . 16077 1
336 . 1 1 95 95 LYS C C 13 179.072 0.3 . 1 . . . . . 185 LYS C . 16077 1
337 . 1 1 95 95 LYS CA C 13 59.890 0.3 . 1 . . . . . 185 LYS CA . 16077 1
338 . 1 1 95 95 LYS N N 15 123.717 0.3 . 1 . . . . . 185 LYS N . 16077 1
339 . 1 1 96 96 GLN H H 1 8.557 0.020 . 1 . . . . . 186 GLN H . 16077 1
340 . 1 1 96 96 GLN C C 13 178.665 0.3 . 1 . . . . . 186 GLN C . 16077 1
341 . 1 1 96 96 GLN CA C 13 57.715 0.3 . 1 . . . . . 186 GLN CA . 16077 1
342 . 1 1 96 96 GLN N N 15 117.371 0.3 . 1 . . . . . 186 GLN N . 16077 1
343 . 1 1 97 97 HIS H H 1 8.521 0.020 . 1 . . . . . 187 HIS H . 16077 1
344 . 1 1 97 97 HIS C C 13 178.757 0.3 . 1 . . . . . 187 HIS C . 16077 1
345 . 1 1 97 97 HIS CA C 13 59.500 0.3 . 1 . . . . . 187 HIS CA . 16077 1
346 . 1 1 97 97 HIS N N 15 120.404 0.3 . 1 . . . . . 187 HIS N . 16077 1
347 . 1 1 98 98 THR H H 1 8.530 0.020 . 1 . . . . . 188 THR H . 16077 1
348 . 1 1 98 98 THR C C 13 176.511 0.3 . 1 . . . . . 188 THR C . 16077 1
349 . 1 1 98 98 THR CA C 13 66.463 0.3 . 1 . . . . . 188 THR CA . 16077 1
350 . 1 1 98 98 THR N N 15 115.439 0.3 . 1 . . . . . 188 THR N . 16077 1
351 . 1 1 99 99 VAL H H 1 8.106 0.020 . 1 . . . . . 189 VAL H . 16077 1
352 . 1 1 99 99 VAL C C 13 178.573 0.3 . 1 . . . . . 189 VAL C . 16077 1
353 . 1 1 99 99 VAL CA C 13 65.960 0.3 . 1 . . . . . 189 VAL CA . 16077 1
354 . 1 1 99 99 VAL N N 15 123.479 0.3 . 1 . . . . . 189 VAL N . 16077 1
355 . 1 1 100 100 THR H H 1 8.215 0.020 . 1 . . . . . 190 THR H . 16077 1
356 . 1 1 100 100 THR C C 13 176.767 0.3 . 1 . . . . . 190 THR C . 16077 1
357 . 1 1 100 100 THR CA C 13 65.101 0.3 . 1 . . . . . 190 THR CA . 16077 1
358 . 1 1 100 100 THR N N 15 115.532 0.3 . 1 . . . . . 190 THR N . 16077 1
359 . 1 1 101 101 THR H H 1 8.057 0.020 . 1 . . . . . 191 THR H . 16077 1
360 . 1 1 101 101 THR C C 13 177.147 0.3 . 1 . . . . . 191 THR C . 16077 1
361 . 1 1 101 101 THR CA C 13 65.002 0.3 . 1 . . . . . 191 THR CA . 16077 1
362 . 1 1 101 101 THR N N 15 114.905 0.3 . 1 . . . . . 191 THR N . 16077 1
363 . 1 1 102 102 THR H H 1 8.287 0.020 . 1 . . . . . 192 THR H . 16077 1
364 . 1 1 102 102 THR C C 13 178.060 0.3 . 1 . . . . . 192 THR C . 16077 1
365 . 1 1 102 102 THR CA C 13 65.116 0.3 . 1 . . . . . 192 THR CA . 16077 1
366 . 1 1 102 102 THR N N 15 118.578 0.3 . 1 . . . . . 192 THR N . 16077 1
367 . 1 1 103 103 THR H H 1 7.835 0.020 . 1 . . . . . 193 THR H . 16077 1
368 . 1 1 103 103 THR C C 13 175.183 0.3 . 1 . . . . . 193 THR C . 16077 1
369 . 1 1 103 103 THR CA C 13 64.434 0.3 . 1 . . . . . 193 THR CA . 16077 1
370 . 1 1 103 103 THR N N 15 116.708 0.3 . 1 . . . . . 193 THR N . 16077 1
371 . 1 1 104 104 LYS H H 1 7.470 0.020 . 1 . . . . . 194 LYS H . 16077 1
372 . 1 1 104 104 LYS C C 13 176.754 0.3 . 1 . . . . . 194 LYS C . 16077 1
373 . 1 1 104 104 LYS CA C 13 55.829 0.3 . 1 . . . . . 194 LYS CA . 16077 1
374 . 1 1 104 104 LYS N N 15 119.836 0.3 . 1 . . . . . 194 LYS N . 16077 1
375 . 1 1 105 105 GLY H H 1 7.924 0.020 . 1 . . . . . 195 GLY H . 16077 1
376 . 1 1 105 105 GLY C C 13 174.254 0.3 . 1 . . . . . 195 GLY C . 16077 1
377 . 1 1 105 105 GLY CA C 13 45.153 0.3 . 1 . . . . . 195 GLY CA . 16077 1
378 . 1 1 105 105 GLY N N 15 108.075 0.3 . 1 . . . . . 195 GLY N . 16077 1
379 . 1 1 106 106 GLU H H 1 7.454 0.020 . 1 . . . . . 196 GLU H . 16077 1
380 . 1 1 106 106 GLU C C 13 174.908 0.3 . 1 . . . . . 196 GLU C . 16077 1
381 . 1 1 106 106 GLU CA C 13 55.170 0.3 . 1 . . . . . 196 GLU CA . 16077 1
382 . 1 1 106 106 GLU N N 15 120.460 0.3 . 1 . . . . . 196 GLU N . 16077 1
383 . 1 1 107 107 ASN H H 1 8.565 0.020 . 1 . . . . . 197 ASN H . 16077 1
384 . 1 1 107 107 ASN C C 13 173.587 0.3 . 1 . . . . . 197 ASN C . 16077 1
385 . 1 1 107 107 ASN CA C 13 52.409 0.3 . 1 . . . . . 197 ASN CA . 16077 1
386 . 1 1 107 107 ASN N N 15 119.667 0.3 . 1 . . . . . 197 ASN N . 16077 1
387 . 1 1 108 108 PHE H H 1 8.788 0.020 . 1 . . . . . 198 PHE H . 16077 1
388 . 1 1 108 108 PHE C C 13 176.675 0.3 . 1 . . . . . 198 PHE C . 16077 1
389 . 1 1 108 108 PHE CA C 13 56.088 0.3 . 1 . . . . . 198 PHE CA . 16077 1
390 . 1 1 108 108 PHE N N 15 121.964 0.3 . 1 . . . . . 198 PHE N . 16077 1
391 . 1 1 109 109 THR H H 1 9.610 0.020 . 1 . . . . . 199 THR H . 16077 1
392 . 1 1 109 109 THR C C 13 175.473 0.3 . 1 . . . . . 199 THR C . 16077 1
393 . 1 1 109 109 THR CA C 13 59.981 0.3 . 1 . . . . . 199 THR CA . 16077 1
394 . 1 1 109 109 THR N N 15 116.245 0.3 . 1 . . . . . 199 THR N . 16077 1
395 . 1 1 110 110 GLU H H 1 9.210 0.020 . 1 . . . . . 200 GLU H . 16077 1
396 . 1 1 110 110 GLU C C 13 179.295 0.3 . 1 . . . . . 200 GLU C . 16077 1
397 . 1 1 110 110 GLU CA C 13 59.717 0.3 . 1 . . . . . 200 GLU CA . 16077 1
398 . 1 1 110 110 GLU N N 15 120.188 0.3 . 1 . . . . . 200 GLU N . 16077 1
399 . 1 1 111 111 THR H H 1 7.971 0.020 . 1 . . . . . 201 THR H . 16077 1
400 . 1 1 111 111 THR C C 13 175.723 0.3 . 1 . . . . . 201 THR C . 16077 1
401 . 1 1 111 111 THR CA C 13 66.498 0.3 . 1 . . . . . 201 THR CA . 16077 1
402 . 1 1 111 111 THR N N 15 116.869 0.3 . 1 . . . . . 201 THR N . 16077 1
403 . 1 1 112 112 ASP H H 1 7.536 0.020 . 1 . . . . . 202 ASP H . 16077 1
404 . 1 1 112 112 ASP C C 13 177.614 0.3 . 1 . . . . . 202 ASP C . 16077 1
405 . 1 1 112 112 ASP CA C 13 57.656 0.3 . 1 . . . . . 202 ASP CA . 16077 1
406 . 1 1 112 112 ASP N N 15 120.114 0.3 . 1 . . . . . 202 ASP N . 16077 1
407 . 1 1 113 113 VAL H H 1 8.266 0.020 . 1 . . . . . 203 VAL H . 16077 1
408 . 1 1 113 113 VAL C C 13 177.443 0.3 . 1 . . . . . 203 VAL C . 16077 1
409 . 1 1 113 113 VAL CA C 13 67.503 0.3 . 1 . . . . . 203 VAL CA . 16077 1
410 . 1 1 113 113 VAL N N 15 119.860 0.3 . 1 . . . . . 203 VAL N . 16077 1
411 . 1 1 114 114 LYS H H 1 7.698 0.020 . 1 . . . . . 204 LYS H . 16077 1
412 . 1 1 114 114 LYS C C 13 180.056 0.3 . 1 . . . . . 204 LYS C . 16077 1
413 . 1 1 114 114 LYS CA C 13 58.783 0.3 . 1 . . . . . 204 LYS CA . 16077 1
414 . 1 1 114 114 LYS N N 15 119.310 0.3 . 1 . . . . . 204 LYS N . 16077 1
415 . 1 1 115 115 MET H H 1 8.182 0.020 . 1 . . . . . 205 MET H . 16077 1
416 . 1 1 115 115 MET C C 13 178.231 0.3 . 1 . . . . . 205 MET C . 16077 1
417 . 1 1 115 115 MET CA C 13 59.364 0.3 . 1 . . . . . 205 MET CA . 16077 1
418 . 1 1 115 115 MET N N 15 118.671 0.3 . 1 . . . . . 205 MET N . 16077 1
419 . 1 1 116 116 MET H H 1 8.707 0.020 . 1 . . . . . 206 MET H . 16077 1
420 . 1 1 116 116 MET C C 13 177.811 0.3 . 1 . . . . . 206 MET C . 16077 1
421 . 1 1 116 116 MET CA C 13 59.630 0.3 . 1 . . . . . 206 MET CA . 16077 1
422 . 1 1 116 116 MET N N 15 118.461 0.3 . 1 . . . . . 206 MET N . 16077 1
423 . 1 1 117 117 GLU H H 1 8.587 0.020 . 1 . . . . . 207 GLU H . 16077 1
424 . 1 1 117 117 GLU C C 13 178.743 0.3 . 1 . . . . . 207 GLU C . 16077 1
425 . 1 1 117 117 GLU CA C 13 60.315 0.3 . 1 . . . . . 207 GLU CA . 16077 1
426 . 1 1 117 117 GLU N N 15 119.136 0.3 . 1 . . . . . 207 GLU N . 16077 1
427 . 1 1 118 118 ARG H H 1 7.282 0.020 . 1 . . . . . 208 ARG H . 16077 1
428 . 1 1 118 118 ARG C C 13 179.359 0.3 . 1 . . . . . 208 ARG C . 16077 1
429 . 1 1 118 118 ARG CA C 13 58.078 0.3 . 1 . . . . . 208 ARG CA . 16077 1
430 . 1 1 118 118 ARG N N 15 117.009 0.3 . 1 . . . . . 208 ARG N . 16077 1
431 . 1 1 119 119 VAL H H 1 8.275 0.020 . 1 . . . . . 209 VAL H . 16077 1
432 . 1 1 119 119 VAL C C 13 177.068 0.3 . 1 . . . . . 209 VAL C . 16077 1
433 . 1 1 119 119 VAL CA C 13 65.371 0.3 . 1 . . . . . 209 VAL CA . 16077 1
434 . 1 1 119 119 VAL N N 15 119.339 0.3 . 1 . . . . . 209 VAL N . 16077 1
435 . 1 1 120 120 VAL H H 1 9.172 0.020 . 1 . . . . . 210 VAL H . 16077 1
436 . 1 1 120 120 VAL C C 13 177.631 0.3 . 1 . . . . . 210 VAL C . 16077 1
437 . 1 1 120 120 VAL CA C 13 66.023 0.3 . 1 . . . . . 210 VAL CA . 16077 1
438 . 1 1 120 120 VAL N N 15 121.569 0.3 . 1 . . . . . 210 VAL N . 16077 1
439 . 1 1 121 121 GLU H H 1 8.011 0.020 . 1 . . . . . 211 GLU H . 16077 1
440 . 1 1 121 121 GLU C C 13 177.539 0.3 . 1 . . . . . 211 GLU C . 16077 1
441 . 1 1 121 121 GLU CA C 13 60.849 0.3 . 1 . . . . . 211 GLU CA . 16077 1
442 . 1 1 121 121 GLU N N 15 120.949 0.3 . 1 . . . . . 211 GLU N . 16077 1
443 . 1 1 122 122 GLN H H 1 7.086 0.020 . 1 . . . . . 212 GLN H . 16077 1
444 . 1 1 122 122 GLN C C 13 179.215 0.3 . 1 . . . . . 212 GLN C . 16077 1
445 . 1 1 122 122 GLN CA C 13 58.766 0.3 . 1 . . . . . 212 GLN CA . 16077 1
446 . 1 1 122 122 GLN N N 15 115.479 0.3 . 1 . . . . . 212 GLN N . 16077 1
447 . 1 1 123 123 MET H H 1 8.131 0.020 . 1 . . . . . 213 MET H . 16077 1
448 . 1 1 123 123 MET C C 13 178.573 0.3 . 1 . . . . . 213 MET C . 16077 1
449 . 1 1 123 123 MET CA C 13 59.603 0.3 . 1 . . . . . 213 MET CA . 16077 1
450 . 1 1 123 123 MET N N 15 119.707 0.3 . 1 . . . . . 213 MET N . 16077 1
451 . 1 1 124 124 CYS H H 1 9.238 0.020 . 1 . . . . . 214 CYS H . 16077 1
452 . 1 1 124 124 CYS C C 13 176.963 0.3 . 1 . . . . . 214 CYS C . 16077 1
453 . 1 1 124 124 CYS CA C 13 59.707 0.3 . 1 . . . . . 214 CYS CA . 16077 1
454 . 1 1 124 124 CYS N N 15 119.682 0.3 . 1 . . . . . 214 CYS N . 16077 1
455 . 1 1 125 125 VAL H H 1 8.512 0.020 . 1 . . . . . 215 VAL H . 16077 1
456 . 1 1 125 125 VAL C C 13 178.089 0.3 . 1 . . . . . 215 VAL C . 16077 1
457 . 1 1 125 125 VAL CA C 13 67.375 0.3 . 1 . . . . . 215 VAL CA . 16077 1
458 . 1 1 125 125 VAL N N 15 123.912 0.3 . 1 . . . . . 215 VAL N . 16077 1
459 . 1 1 126 126 THR H H 1 8.133 0.020 . 1 . . . . . 216 THR H . 16077 1
460 . 1 1 126 126 THR C C 13 176.773 0.3 . 1 . . . . . 216 THR C . 16077 1
461 . 1 1 126 126 THR CA C 13 66.675 0.3 . 1 . . . . . 216 THR CA . 16077 1
462 . 1 1 126 126 THR N N 15 118.399 0.3 . 1 . . . . . 216 THR N . 16077 1
463 . 1 1 127 127 GLN H H 1 8.739 0.020 . 1 . . . . . 217 GLN H . 16077 1
464 . 1 1 127 127 GLN C C 13 177.443 0.3 . 1 . . . . . 217 GLN C . 16077 1
465 . 1 1 127 127 GLN CA C 13 58.323 0.3 . 1 . . . . . 217 GLN CA . 16077 1
466 . 1 1 127 127 GLN N N 15 122.878 0.3 . 1 . . . . . 217 GLN N . 16077 1
467 . 1 1 128 128 TYR H H 1 8.631 0.020 . 1 . . . . . 218 TYR H . 16077 1
468 . 1 1 128 128 TYR C C 13 178.192 0.3 . 1 . . . . . 218 TYR C . 16077 1
469 . 1 1 128 128 TYR CA C 13 61.635 0.3 . 1 . . . . . 218 TYR CA . 16077 1
470 . 1 1 128 128 TYR N N 15 120.495 0.3 . 1 . . . . . 218 TYR N . 16077 1
471 . 1 1 129 129 GLN H H 1 8.253 0.020 . 1 . . . . . 219 GLN H . 16077 1
472 . 1 1 129 129 GLN C C 13 178.559 0.3 . 1 . . . . . 219 GLN C . 16077 1
473 . 1 1 129 129 GLN CA C 13 58.695 0.3 . 1 . . . . . 219 GLN CA . 16077 1
474 . 1 1 129 129 GLN N N 15 119.911 0.3 . 1 . . . . . 219 GLN N . 16077 1
475 . 1 1 130 130 LYS H H 1 7.867 0.020 . 1 . . . . . 220 LYS H . 16077 1
476 . 1 1 130 130 LYS C C 13 179.859 0.3 . 1 . . . . . 220 LYS C . 16077 1
477 . 1 1 130 130 LYS CA C 13 59.034 0.3 . 1 . . . . . 220 LYS CA . 16077 1
478 . 1 1 130 130 LYS N N 15 119.611 0.3 . 1 . . . . . 220 LYS N . 16077 1
479 . 1 1 131 131 GLU H H 1 8.454 0.020 . 1 . . . . . 221 GLU H . 16077 1
480 . 1 1 131 131 GLU C C 13 179.306 0.3 . 1 . . . . . 221 GLU C . 16077 1
481 . 1 1 131 131 GLU CA C 13 57.488 0.3 . 1 . . . . . 221 GLU CA . 16077 1
482 . 1 1 131 131 GLU N N 15 118.618 0.3 . 1 . . . . . 221 GLU N . 16077 1
483 . 1 1 132 132 SER H H 1 8.444 0.020 . 1 . . . . . 222 SER H . 16077 1
484 . 1 1 132 132 SER C C 13 175.736 0.3 . 1 . . . . . 222 SER C . 16077 1
485 . 1 1 132 132 SER CA C 13 60.852 0.3 . 1 . . . . . 222 SER CA . 16077 1
486 . 1 1 132 132 SER N N 15 115.517 0.3 . 1 . . . . . 222 SER N . 16077 1
487 . 1 1 133 133 GLN H H 1 7.611 0.020 . 1 . . . . . 223 GLN H . 16077 1
488 . 1 1 133 133 GLN C C 13 177.246 0.3 . 1 . . . . . 223 GLN C . 16077 1
489 . 1 1 133 133 GLN CA C 13 57.758 0.3 . 1 . . . . . 223 GLN CA . 16077 1
490 . 1 1 133 133 GLN N N 15 120.987 0.3 . 1 . . . . . 223 GLN N . 16077 1
491 . 1 1 134 134 ALA H H 1 7.604 0.020 . 1 . . . . . 224 ALA H . 16077 1
492 . 1 1 134 134 ALA C C 13 179.124 0.3 . 1 . . . . . 224 ALA C . 16077 1
493 . 1 1 134 134 ALA CA C 13 53.790 0.3 . 1 . . . . . 224 ALA CA . 16077 1
494 . 1 1 134 134 ALA N N 15 120.854 0.3 . 1 . . . . . 224 ALA N . 16077 1
495 . 1 1 135 135 TYR H H 1 7.959 0.020 . 1 . . . . . 225 TYR H . 16077 1
496 . 1 1 135 135 TYR C C 13 177.330 0.3 . 1 . . . . . 225 TYR C . 16077 1
497 . 1 1 135 135 TYR CA C 13 59.619 0.3 . 1 . . . . . 225 TYR CA . 16077 1
498 . 1 1 135 135 TYR N N 15 119.455 0.3 . 1 . . . . . 225 TYR N . 16077 1
499 . 1 1 136 136 TYR H H 1 8.075 0.020 . 1 . . . . . 226 TYR H . 16077 1
500 . 1 1 136 136 TYR C C 13 177.076 0.3 . 1 . . . . . 226 TYR C . 16077 1
501 . 1 1 136 136 TYR CA C 13 59.499 0.3 . 1 . . . . . 226 TYR CA . 16077 1
502 . 1 1 136 136 TYR N N 15 119.840 0.3 . 1 . . . . . 226 TYR N . 16077 1
503 . 1 1 137 137 ASP H H 1 8.278 0.020 . 1 . . . . . 227 ASP H . 16077 1
504 . 1 1 137 137 ASP C C 13 177.448 0.3 . 1 . . . . . 227 ASP C . 16077 1
505 . 1 1 137 137 ASP CA C 13 55.011 0.3 . 1 . . . . . 227 ASP CA . 16077 1
506 . 1 1 137 137 ASP N N 15 121.221 0.3 . 1 . . . . . 227 ASP N . 16077 1
507 . 1 1 138 138 GLY H H 1 7.891 0.020 . 1 . . . . . 228 GLY H . 16077 1
508 . 1 1 138 138 GLY C C 13 174.607 0.3 . 1 . . . . . 228 GLY C . 16077 1
509 . 1 1 138 138 GLY CA C 13 45.254 0.3 . 1 . . . . . 228 GLY CA . 16077 1
510 . 1 1 138 138 GLY N N 15 108.188 0.3 . 1 . . . . . 228 GLY N . 16077 1
511 . 1 1 139 139 ARG H H 1 7.830 0.020 . 1 . . . . . 229 ARG H . 16077 1
512 . 1 1 139 139 ARG C C 13 176.366 0.3 . 1 . . . . . 229 ARG C . 16077 1
513 . 1 1 139 139 ARG CA C 13 55.793 0.3 . 1 . . . . . 229 ARG CA . 16077 1
514 . 1 1 139 139 ARG N N 15 120.095 0.3 . 1 . . . . . 229 ARG N . 16077 1
515 . 1 1 140 140 ARG H H 1 8.196 0.020 . 1 . . . . . 230 ARG H . 16077 1
516 . 1 1 140 140 ARG C C 13 176.393 0.3 . 1 . . . . . 230 ARG C . 16077 1
517 . 1 1 140 140 ARG CA C 13 55.748 0.3 . 1 . . . . . 230 ARG CA . 16077 1
518 . 1 1 140 140 ARG N N 15 122.008 0.3 . 1 . . . . . 230 ARG N . 16077 1
519 . 1 1 141 141 SER H H 1 8.425 0.020 . 1 . . . . . 231 SER H . 16077 1
520 . 1 1 141 141 SER C C 13 173.674 0.3 . 1 . . . . . 231 SER C . 16077 1
521 . 1 1 141 141 SER CA C 13 57.943 0.3 . 1 . . . . . 231 SER CA . 16077 1
522 . 1 1 141 141 SER N N 15 117.787 0.3 . 1 . . . . . 231 SER N . 16077 1
stop_
save_