data_5903
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 5903
_Entry.Title
;
1H,13C and 15N backbone resonance assignment of the Hyaluronan-binding domain of
CD44
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2003-08-15
_Entry.Accession_date 2003-08-15
_Entry.Last_release_date 2003-08-15
_Entry.Original_release_date 2003-08-15
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.0.16
_Entry.Original_NMR_STAR_version 2.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_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 .
_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 Mitsuhiro Takeda . . . . 5903
2 Hiroaki Terasawa . . . . 5903
3 Masayosh Sakakura . . . . 5903
4 Yoshiki Yamaguchi . . . . 5903
5 Masahiro Kajiwara . . . . 5903
6 Hiroto Kawashima . . . . 5903
7 Masayuki Miyasaka . . . . 5903
8 Ichio Shimada . . . . 5903
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 5903
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 284 5903
'15N chemical shifts' 144 5903
'1H chemical shifts' 144 5903
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2004-04-07 . original BMRB . 5903
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2I83 'BMRB Entry Tracking System' 5903
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 5903
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 15017146
_Citation.Full_citation .
_Citation.Title
;
Letter to the Editor: 1H, 13C and 15N backbone resonance assignments of the
Hyaluronan-binding domain of CD44
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Biomol. NMR'
_Citation.Journal_name_full .
_Citation.Journal_volume 29
_Citation.Journal_issue 1
_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 97
_Citation.Page_last 98
_Citation.Year 2004
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Mitsuhiro Takeda . . . . 5903 1
2 Hiroaki Terasawa . . . . 5903 1
3 Masayoshi Sakakura . . . . 5903 1
4 Yoshiki Yamaguchi . . . . 5903 1
5 Masahiro Kajiwara . . . . 5903 1
6 Hiroto Kawashima . . . . 5903 1
7 Masayuki Miyasaka . . . . 5903 1
8 Ichio Shimada . . . . 5903 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_CD44
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_CD44
_Assembly.Entry_ID 5903
_Assembly.ID 1
_Assembly.Name 'CD44 hyaluronan-binding domain'
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'all disulfide bound'
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Assembly_type.Type
_Assembly_type.Entry_ID
_Assembly_type.Assembly_ID
monomer 5903 1
stop_
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'CD44 hyaluronan binding domain' 1 $CD44_hyaluronan-binding_domain . . . native . . . . . 5903 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 . 1 CYS 10 10 SG . 1 . 1 CYS 111 111 SG . . . . . . . . . . . . 5903 1
2 disulfide single . 1 . 1 CYS 35 35 SG . 1 . 1 CYS 100 100 SG . . . . . . . . . . . . 5903 1
3 disulfide single . 1 . 1 CYS 59 59 SG . 1 . 1 CYS 79 79 SG . . . . . . . . . . . . 5903 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
CD44 abbreviation 5903 1
'CD44 hyaluronan-binding domain' system 5903 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_CD44_hyaluronan-binding_domain
_Entity.Sf_category entity
_Entity.Sf_framecode CD44_hyaluronan-binding_domain
_Entity.Entry_ID 5903
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'CD44 hyaluronan-binding domain'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MAQIDLNITCRFAGVFHVEK
NGRYSISRTEAADLCKAFNS
TLPTMAQMEKALSIGFETCR
YGFIEGHVVIPRIHPNSICA
ANNTGVYILTSNTSQYDTYC
FNASAPPEEDCTSVTDLPNA
FDGPITITIVNRDGTRYVQK
GEYRTNPEDIYPSNPTDDDV
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 160
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'all disulfide bound'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
CD44 abbreviation 5903 1
'CD44 hyaluronan-binding domain' common 5903 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 -2 MET . 5903 1
2 -1 ALA . 5903 1
3 21 GLN . 5903 1
4 22 ILE . 5903 1
5 23 ASP . 5903 1
6 24 LEU . 5903 1
7 25 ASN . 5903 1
8 26 ILE . 5903 1
9 27 THR . 5903 1
10 28 CYS . 5903 1
11 29 ARG . 5903 1
12 30 PHE . 5903 1
13 31 ALA . 5903 1
14 32 GLY . 5903 1
15 33 VAL . 5903 1
16 34 PHE . 5903 1
17 35 HIS . 5903 1
18 36 VAL . 5903 1
19 37 GLU . 5903 1
20 38 LYS . 5903 1
21 39 ASN . 5903 1
22 40 GLY . 5903 1
23 41 ARG . 5903 1
24 42 TYR . 5903 1
25 43 SER . 5903 1
26 44 ILE . 5903 1
27 45 SER . 5903 1
28 46 ARG . 5903 1
29 47 THR . 5903 1
30 48 GLU . 5903 1
31 49 ALA . 5903 1
32 50 ALA . 5903 1
33 51 ASP . 5903 1
34 52 LEU . 5903 1
35 53 CYS . 5903 1
36 54 LYS . 5903 1
37 55 ALA . 5903 1
38 56 PHE . 5903 1
39 57 ASN . 5903 1
40 58 SER . 5903 1
41 59 THR . 5903 1
42 60 LEU . 5903 1
43 61 PRO . 5903 1
44 62 THR . 5903 1
45 63 MET . 5903 1
46 64 ALA . 5903 1
47 65 GLN . 5903 1
48 66 MET . 5903 1
49 67 GLU . 5903 1
50 68 LYS . 5903 1
51 69 ALA . 5903 1
52 70 LEU . 5903 1
53 71 SER . 5903 1
54 72 ILE . 5903 1
55 73 GLY . 5903 1
56 74 PHE . 5903 1
57 75 GLU . 5903 1
58 76 THR . 5903 1
59 77 CYS . 5903 1
60 78 ARG . 5903 1
61 79 TYR . 5903 1
62 80 GLY . 5903 1
63 81 PHE . 5903 1
64 82 ILE . 5903 1
65 83 GLU . 5903 1
66 84 GLY . 5903 1
67 85 HIS . 5903 1
68 86 VAL . 5903 1
69 87 VAL . 5903 1
70 88 ILE . 5903 1
71 89 PRO . 5903 1
72 90 ARG . 5903 1
73 91 ILE . 5903 1
74 92 HIS . 5903 1
75 93 PRO . 5903 1
76 94 ASN . 5903 1
77 95 SER . 5903 1
78 96 ILE . 5903 1
79 97 CYS . 5903 1
80 98 ALA . 5903 1
81 99 ALA . 5903 1
82 100 ASN . 5903 1
83 101 ASN . 5903 1
84 102 THR . 5903 1
85 103 GLY . 5903 1
86 104 VAL . 5903 1
87 105 TYR . 5903 1
88 106 ILE . 5903 1
89 107 LEU . 5903 1
90 108 THR . 5903 1
91 109 SER . 5903 1
92 110 ASN . 5903 1
93 111 THR . 5903 1
94 112 SER . 5903 1
95 113 GLN . 5903 1
96 114 TYR . 5903 1
97 115 ASP . 5903 1
98 116 THR . 5903 1
99 117 TYR . 5903 1
100 118 CYS . 5903 1
101 119 PHE . 5903 1
102 120 ASN . 5903 1
103 121 ALA . 5903 1
104 122 SER . 5903 1
105 123 ALA . 5903 1
106 124 PRO . 5903 1
107 125 PRO . 5903 1
108 126 GLU . 5903 1
109 127 GLU . 5903 1
110 128 ASP . 5903 1
111 129 CYS . 5903 1
112 130 THR . 5903 1
113 131 SER . 5903 1
114 132 VAL . 5903 1
115 133 THR . 5903 1
116 134 ASP . 5903 1
117 135 LEU . 5903 1
118 136 PRO . 5903 1
119 137 ASN . 5903 1
120 138 ALA . 5903 1
121 139 PHE . 5903 1
122 140 ASP . 5903 1
123 141 GLY . 5903 1
124 142 PRO . 5903 1
125 143 ILE . 5903 1
126 144 THR . 5903 1
127 145 ILE . 5903 1
128 146 THR . 5903 1
129 147 ILE . 5903 1
130 148 VAL . 5903 1
131 149 ASN . 5903 1
132 150 ARG . 5903 1
133 151 ASP . 5903 1
134 152 GLY . 5903 1
135 153 THR . 5903 1
136 154 ARG . 5903 1
137 155 TYR . 5903 1
138 156 VAL . 5903 1
139 157 GLN . 5903 1
140 158 LYS . 5903 1
141 159 GLY . 5903 1
142 160 GLU . 5903 1
143 161 TYR . 5903 1
144 162 ARG . 5903 1
145 163 THR . 5903 1
146 164 ASN . 5903 1
147 165 PRO . 5903 1
148 166 GLU . 5903 1
149 167 ASP . 5903 1
150 168 ILE . 5903 1
151 169 TYR . 5903 1
152 170 PRO . 5903 1
153 171 SER . 5903 1
154 172 ASN . 5903 1
155 173 PRO . 5903 1
156 174 THR . 5903 1
157 175 ASP . 5903 1
158 176 ASP . 5903 1
159 177 ASP . 5903 1
160 178 VAL . 5903 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 5903 1
. ALA 2 2 5903 1
. GLN 3 3 5903 1
. ILE 4 4 5903 1
. ASP 5 5 5903 1
. LEU 6 6 5903 1
. ASN 7 7 5903 1
. ILE 8 8 5903 1
. THR 9 9 5903 1
. CYS 10 10 5903 1
. ARG 11 11 5903 1
. PHE 12 12 5903 1
. ALA 13 13 5903 1
. GLY 14 14 5903 1
. VAL 15 15 5903 1
. PHE 16 16 5903 1
. HIS 17 17 5903 1
. VAL 18 18 5903 1
. GLU 19 19 5903 1
. LYS 20 20 5903 1
. ASN 21 21 5903 1
. GLY 22 22 5903 1
. ARG 23 23 5903 1
. TYR 24 24 5903 1
. SER 25 25 5903 1
. ILE 26 26 5903 1
. SER 27 27 5903 1
. ARG 28 28 5903 1
. THR 29 29 5903 1
. GLU 30 30 5903 1
. ALA 31 31 5903 1
. ALA 32 32 5903 1
. ASP 33 33 5903 1
. LEU 34 34 5903 1
. CYS 35 35 5903 1
. LYS 36 36 5903 1
. ALA 37 37 5903 1
. PHE 38 38 5903 1
. ASN 39 39 5903 1
. SER 40 40 5903 1
. THR 41 41 5903 1
. LEU 42 42 5903 1
. PRO 43 43 5903 1
. THR 44 44 5903 1
. MET 45 45 5903 1
. ALA 46 46 5903 1
. GLN 47 47 5903 1
. MET 48 48 5903 1
. GLU 49 49 5903 1
. LYS 50 50 5903 1
. ALA 51 51 5903 1
. LEU 52 52 5903 1
. SER 53 53 5903 1
. ILE 54 54 5903 1
. GLY 55 55 5903 1
. PHE 56 56 5903 1
. GLU 57 57 5903 1
. THR 58 58 5903 1
. CYS 59 59 5903 1
. ARG 60 60 5903 1
. TYR 61 61 5903 1
. GLY 62 62 5903 1
. PHE 63 63 5903 1
. ILE 64 64 5903 1
. GLU 65 65 5903 1
. GLY 66 66 5903 1
. HIS 67 67 5903 1
. VAL 68 68 5903 1
. VAL 69 69 5903 1
. ILE 70 70 5903 1
. PRO 71 71 5903 1
. ARG 72 72 5903 1
. ILE 73 73 5903 1
. HIS 74 74 5903 1
. PRO 75 75 5903 1
. ASN 76 76 5903 1
. SER 77 77 5903 1
. ILE 78 78 5903 1
. CYS 79 79 5903 1
. ALA 80 80 5903 1
. ALA 81 81 5903 1
. ASN 82 82 5903 1
. ASN 83 83 5903 1
. THR 84 84 5903 1
. GLY 85 85 5903 1
. VAL 86 86 5903 1
. TYR 87 87 5903 1
. ILE 88 88 5903 1
. LEU 89 89 5903 1
. THR 90 90 5903 1
. SER 91 91 5903 1
. ASN 92 92 5903 1
. THR 93 93 5903 1
. SER 94 94 5903 1
. GLN 95 95 5903 1
. TYR 96 96 5903 1
. ASP 97 97 5903 1
. THR 98 98 5903 1
. TYR 99 99 5903 1
. CYS 100 100 5903 1
. PHE 101 101 5903 1
. ASN 102 102 5903 1
. ALA 103 103 5903 1
. SER 104 104 5903 1
. ALA 105 105 5903 1
. PRO 106 106 5903 1
. PRO 107 107 5903 1
. GLU 108 108 5903 1
. GLU 109 109 5903 1
. ASP 110 110 5903 1
. CYS 111 111 5903 1
. THR 112 112 5903 1
. SER 113 113 5903 1
. VAL 114 114 5903 1
. THR 115 115 5903 1
. ASP 116 116 5903 1
. LEU 117 117 5903 1
. PRO 118 118 5903 1
. ASN 119 119 5903 1
. ALA 120 120 5903 1
. PHE 121 121 5903 1
. ASP 122 122 5903 1
. GLY 123 123 5903 1
. PRO 124 124 5903 1
. ILE 125 125 5903 1
. THR 126 126 5903 1
. ILE 127 127 5903 1
. THR 128 128 5903 1
. ILE 129 129 5903 1
. VAL 130 130 5903 1
. ASN 131 131 5903 1
. ARG 132 132 5903 1
. ASP 133 133 5903 1
. GLY 134 134 5903 1
. THR 135 135 5903 1
. ARG 136 136 5903 1
. TYR 137 137 5903 1
. VAL 138 138 5903 1
. GLN 139 139 5903 1
. LYS 140 140 5903 1
. GLY 141 141 5903 1
. GLU 142 142 5903 1
. TYR 143 143 5903 1
. ARG 144 144 5903 1
. THR 145 145 5903 1
. ASN 146 146 5903 1
. PRO 147 147 5903 1
. GLU 148 148 5903 1
. ASP 149 149 5903 1
. ILE 150 150 5903 1
. TYR 151 151 5903 1
. PRO 152 152 5903 1
. SER 153 153 5903 1
. ASN 154 154 5903 1
. PRO 155 155 5903 1
. THR 156 156 5903 1
. ASP 157 157 5903 1
. ASP 158 158 5903 1
. ASP 159 159 5903 1
. VAL 160 160 5903 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 5903
_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 $CD44_hyaluronan-binding_domain . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 5903 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 5903
_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 $CD44_hyaluronan-binding_domain . 'recombinant technology' . . . . . . . . . . . . . . . . 5903 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_Sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode Sample_1
_Sample.Entry_ID 5903
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'CD44 hyaluronan-binding domain' '[U-98% 13C; U-98% 15N]' . . 1 $CD44_hyaluronan-binding_domain . . 2.0 . . mM . . . . 5903 1
stop_
save_
#######################
# Sample conditions #
#######################
save_EX-condition
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode EX-condition
_Sample_condition_list.Entry_ID 5903
_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 6.7 0.1 n/a 5903 1
temperature 298 0.1 K 5903 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer
_NMR_spectrometer.Entry_ID 5903
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 5903
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 NMR_spectrometer Bruker Avance . 600 . . . 5903 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 5903
_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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5903 1
2 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5903 1
3 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5903 1
4 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5903 1
5 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5903 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference
_Chem_shift_reference.Entry_ID 5903
_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 0.0 . indirect 0.251449500 . . . . . 5903 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 internal . 1.0 . . . . . 5903 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329051 . . . . . 5903 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_1
_Assigned_chem_shift_list.Entry_ID 5903
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $EX-condition
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_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 '1H-15N HSQC' 1 $Sample_1 . 5903 1
2 '3D HNCA' 1 $Sample_1 . 5903 1
3 '3D HN(CO)CA' 1 $Sample_1 . 5903 1
4 '3D HNCACB' 1 $Sample_1 . 5903 1
5 '3D CBCA(CO)NH' 1 $Sample_1 . 5903 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 3 3 GLN C C 13 174.8 0.2 . 1 . . . . . . . . . 5903 1
2 . 1 1 4 4 ILE H H 1 8.67 0.01 . 1 . . . . . . . . . 5903 1
3 . 1 1 4 4 ILE C C 13 173.1 0.2 . 1 . . . . . . . . . 5903 1
4 . 1 1 4 4 ILE CA C 13 61.6 0.4 . 1 . . . . . . . . . 5903 1
5 . 1 1 4 4 ILE N N 15 124.5 0.7 . 1 . . . . . . . . . 5903 1
6 . 1 1 5 5 ASP H H 1 8.76 0.01 . 1 . . . . . . . . . 5903 1
7 . 1 1 5 5 ASP C C 13 174.7 0.2 . 1 . . . . . . . . . 5903 1
8 . 1 1 5 5 ASP CA C 13 52.7 0.4 . 1 . . . . . . . . . 5903 1
9 . 1 1 5 5 ASP N N 15 128.9 0.7 . 1 . . . . . . . . . 5903 1
10 . 1 1 6 6 LEU H H 1 9.46 0.01 . 1 . . . . . . . . . 5903 1
11 . 1 1 6 6 LEU C C 13 174.5 0.2 . 1 . . . . . . . . . 5903 1
12 . 1 1 6 6 LEU CA C 13 52.6 0.4 . 1 . . . . . . . . . 5903 1
13 . 1 1 6 6 LEU N N 15 123.9 0.7 . 1 . . . . . . . . . 5903 1
14 . 1 1 7 7 ASN H H 1 8.97 0.01 . 1 . . . . . . . . . 5903 1
15 . 1 1 7 7 ASN C C 13 173.8 0.2 . 1 . . . . . . . . . 5903 1
16 . 1 1 7 7 ASN CA C 13 52.7 0.4 . 1 . . . . . . . . . 5903 1
17 . 1 1 7 7 ASN N N 15 124 0.7 . 1 . . . . . . . . . 5903 1
18 . 1 1 8 8 ILE H H 1 8.34 0.01 . 1 . . . . . . . . . 5903 1
19 . 1 1 8 8 ILE C C 13 176.2 0.2 . 1 . . . . . . . . . 5903 1
20 . 1 1 8 8 ILE CA C 13 59.2 0.4 . 1 . . . . . . . . . 5903 1
21 . 1 1 8 8 ILE N N 15 120.8 0.7 . 1 . . . . . . . . . 5903 1
22 . 1 1 9 9 THR H H 1 7.99 0.01 . 1 . . . . . . . . . 5903 1
23 . 1 1 9 9 THR C C 13 176.7 0.2 . 1 . . . . . . . . . 5903 1
24 . 1 1 9 9 THR CA C 13 61.6 0.4 . 1 . . . . . . . . . 5903 1
25 . 1 1 9 9 THR N N 15 112.1 0.7 . 1 . . . . . . . . . 5903 1
26 . 1 1 10 10 CYS H H 1 8.97 0.01 . 1 . . . . . . . . . 5903 1
27 . 1 1 10 10 CYS C C 13 172.5 0.2 . 1 . . . . . . . . . 5903 1
28 . 1 1 10 10 CYS CA C 13 59.3 0.4 . 1 . . . . . . . . . 5903 1
29 . 1 1 10 10 CYS N N 15 114.8 0.7 . 1 . . . . . . . . . 5903 1
30 . 1 1 11 11 ARG H H 1 8.53 0.01 . 1 . . . . . . . . . 5903 1
31 . 1 1 11 11 ARG C C 13 175.9 0.2 . 1 . . . . . . . . . 5903 1
32 . 1 1 11 11 ARG CA C 13 55.2 0.4 . 1 . . . . . . . . . 5903 1
33 . 1 1 11 11 ARG N N 15 121.4 0.7 . 1 . . . . . . . . . 5903 1
34 . 1 1 12 12 PHE H H 1 9.81 0.01 . 1 . . . . . . . . . 5903 1
35 . 1 1 12 12 PHE C C 13 174.1 0.2 . 1 . . . . . . . . . 5903 1
36 . 1 1 12 12 PHE CA C 13 56.9 0.4 . 1 . . . . . . . . . 5903 1
37 . 1 1 12 12 PHE N N 15 123.9 0.7 . 1 . . . . . . . . . 5903 1
38 . 1 1 13 13 ALA H H 1 8.04 0.01 . 1 . . . . . . . . . 5903 1
39 . 1 1 13 13 ALA C C 13 177.1 0.2 . 1 . . . . . . . . . 5903 1
40 . 1 1 13 13 ALA CA C 13 53.2 0.4 . 1 . . . . . . . . . 5903 1
41 . 1 1 13 13 ALA N N 15 128.4 0.7 . 1 . . . . . . . . . 5903 1
42 . 1 1 14 14 GLY H H 1 8.86 0.01 . 1 . . . . . . . . . 5903 1
43 . 1 1 14 14 GLY C C 13 173.9 0.2 . 1 . . . . . . . . . 5903 1
44 . 1 1 14 14 GLY CA C 13 46.5 0.4 . 1 . . . . . . . . . 5903 1
45 . 1 1 14 14 GLY N N 15 102.6 0.7 . 1 . . . . . . . . . 5903 1
46 . 1 1 15 15 VAL H H 1 7.92 0.01 . 1 . . . . . . . . . 5903 1
47 . 1 1 15 15 VAL C C 13 175.1 0.2 . 1 . . . . . . . . . 5903 1
48 . 1 1 15 15 VAL CA C 13 62.0 0.4 . 1 . . . . . . . . . 5903 1
49 . 1 1 15 15 VAL N N 15 123.1 0.7 . 1 . . . . . . . . . 5903 1
50 . 1 1 16 16 PHE H H 1 9.18 0.01 . 1 . . . . . . . . . 5903 1
51 . 1 1 16 16 PHE C C 13 172.1 0.2 . 1 . . . . . . . . . 5903 1
52 . 1 1 16 16 PHE CA C 13 54.5 0.4 . 1 . . . . . . . . . 5903 1
53 . 1 1 16 16 PHE N N 15 120.9 0.7 . 1 . . . . . . . . . 5903 1
54 . 1 1 17 17 HIS H H 1 8.92 0.01 . 1 . . . . . . . . . 5903 1
55 . 1 1 17 17 HIS C C 13 172.9 0.2 . 1 . . . . . . . . . 5903 1
56 . 1 1 17 17 HIS CA C 13 55.1 0.4 . 1 . . . . . . . . . 5903 1
57 . 1 1 17 17 HIS N N 15 122.3 0.7 . 1 . . . . . . . . . 5903 1
58 . 1 1 18 18 VAL H H 1 8.39 0.01 . 1 . . . . . . . . . 5903 1
59 . 1 1 18 18 VAL C C 13 172.4 0.2 . 1 . . . . . . . . . 5903 1
60 . 1 1 18 18 VAL CA C 13 61.0 0.4 . 1 . . . . . . . . . 5903 1
61 . 1 1 18 18 VAL N N 15 126.2 0.7 . 1 . . . . . . . . . 5903 1
62 . 1 1 19 19 GLU H H 1 8.11 0.01 . 1 . . . . . . . . . 5903 1
63 . 1 1 19 19 GLU C C 13 174.7 0.2 . 1 . . . . . . . . . 5903 1
64 . 1 1 19 19 GLU CA C 13 53.8 0.4 . 1 . . . . . . . . . 5903 1
65 . 1 1 19 19 GLU N N 15 126.2 0.7 . 1 . . . . . . . . . 5903 1
66 . 1 1 20 20 LYS H H 1 9.91 0.01 . 1 . . . . . . . . . 5903 1
67 . 1 1 20 20 LYS C C 13 175.2 0.2 . 1 . . . . . . . . . 5903 1
68 . 1 1 20 20 LYS CA C 13 54.6 0.4 . 1 . . . . . . . . . 5903 1
69 . 1 1 20 20 LYS N N 15 134.7 0.7 . 1 . . . . . . . . . 5903 1
70 . 1 1 21 21 ASN H H 1 9.75 0.01 . 1 . . . . . . . . . 5903 1
71 . 1 1 21 21 ASN C C 13 175.3 0.2 . 1 . . . . . . . . . 5903 1
72 . 1 1 21 21 ASN CA C 13 54.3 0.4 . 1 . . . . . . . . . 5903 1
73 . 1 1 21 21 ASN N N 15 122.9 0.7 . 1 . . . . . . . . . 5903 1
74 . 1 1 22 22 GLY H H 1 8.95 0.01 . 1 . . . . . . . . . 5903 1
75 . 1 1 22 22 GLY C C 13 173.6 0.2 . 1 . . . . . . . . . 5903 1
76 . 1 1 22 22 GLY CA C 13 46.5 0.4 . 1 . . . . . . . . . 5903 1
77 . 1 1 22 22 GLY N N 15 105.5 0.7 . 1 . . . . . . . . . 5903 1
78 . 1 1 23 23 ARG H H 1 7.96 0.01 . 1 . . . . . . . . . 5903 1
79 . 1 1 23 23 ARG C C 13 175.4 0.2 . 1 . . . . . . . . . 5903 1
80 . 1 1 23 23 ARG CA C 13 54.5 0.4 . 1 . . . . . . . . . 5903 1
81 . 1 1 23 23 ARG N N 15 116.8 0.7 . 1 . . . . . . . . . 5903 1
82 . 1 1 24 24 TYR H H 1 8.48 0.01 . 1 . . . . . . . . . 5903 1
83 . 1 1 24 24 TYR C C 13 177.5 0.2 . 1 . . . . . . . . . 5903 1
84 . 1 1 24 24 TYR CA C 13 58.4 0.4 . 1 . . . . . . . . . 5903 1
85 . 1 1 24 24 TYR N N 15 122.4 0.7 . 1 . . . . . . . . . 5903 1
86 . 1 1 25 25 SER H H 1 8.02 0.01 . 1 . . . . . . . . . 5903 1
87 . 1 1 25 25 SER C C 13 172.8 0.2 . 1 . . . . . . . . . 5903 1
88 . 1 1 25 25 SER CA C 13 59 0.4 . 1 . . . . . . . . . 5903 1
89 . 1 1 25 25 SER N N 15 119 0.7 . 1 . . . . . . . . . 5903 1
90 . 1 1 26 26 ILE H H 1 9.35 0.01 . 1 . . . . . . . . . 5903 1
91 . 1 1 26 26 ILE C C 13 174.9 0.2 . 1 . . . . . . . . . 5903 1
92 . 1 1 26 26 ILE CA C 13 62 0.4 . 1 . . . . . . . . . 5903 1
93 . 1 1 26 26 ILE N N 15 126.2 0.7 . 1 . . . . . . . . . 5903 1
94 . 1 1 27 27 SER H H 1 8.18 0.01 . 1 . . . . . . . . . 5903 1
95 . 1 1 27 27 SER C C 13 174.5 0.2 . 1 . . . . . . . . . 5903 1
96 . 1 1 27 27 SER CA C 13 56.9 0.4 . 1 . . . . . . . . . 5903 1
97 . 1 1 27 27 SER N N 15 123.9 0.7 . 1 . . . . . . . . . 5903 1
98 . 1 1 28 28 ARG H H 1 9.02 0.01 . 1 . . . . . . . . . 5903 1
99 . 1 1 28 28 ARG C C 13 179.2 0.2 . 1 . . . . . . . . . 5903 1
100 . 1 1 28 28 ARG CA C 13 59.7 0.4 . 1 . . . . . . . . . 5903 1
101 . 1 1 28 28 ARG N N 15 121.8 0.7 . 1 . . . . . . . . . 5903 1
102 . 1 1 29 29 THR H H 1 7.76 0.01 . 1 . . . . . . . . . 5903 1
103 . 1 1 29 29 THR C C 13 177.5 0.2 . 1 . . . . . . . . . 5903 1
104 . 1 1 29 29 THR CA C 13 63.9 0.4 . 1 . . . . . . . . . 5903 1
105 . 1 1 29 29 THR N N 15 107.7 0.7 . 1 . . . . . . . . . 5903 1
106 . 1 1 30 30 GLU H H 1 8.08 0.01 . 1 . . . . . . . . . 5903 1
107 . 1 1 30 30 GLU C C 13 177.6 0.2 . 1 . . . . . . . . . 5903 1
108 . 1 1 30 30 GLU CA C 13 59.7 0.4 . 1 . . . . . . . . . 5903 1
109 . 1 1 30 30 GLU N N 15 127.3 0.7 . 1 . . . . . . . . . 5903 1
110 . 1 1 31 31 ALA H H 1 8.8 0.01 . 1 . . . . . . . . . 5903 1
111 . 1 1 31 31 ALA C C 13 178.2 0.2 . 1 . . . . . . . . . 5903 1
112 . 1 1 31 31 ALA CA C 13 56.1 0.4 . 1 . . . . . . . . . 5903 1
113 . 1 1 31 31 ALA N N 15 124.1 0.7 . 1 . . . . . . . . . 5903 1
114 . 1 1 32 32 ALA H H 1 7.05 0.01 . 1 . . . . . . . . . 5903 1
115 . 1 1 32 32 ALA C C 13 180.9 0.2 . 1 . . . . . . . . . 5903 1
116 . 1 1 32 32 ALA CA C 13 55.3 0.4 . 1 . . . . . . . . . 5903 1
117 . 1 1 32 32 ALA N N 15 116.9 0.7 . 1 . . . . . . . . . 5903 1
118 . 1 1 33 33 ASP H H 1 7.32 0.01 . 1 . . . . . . . . . 5903 1
119 . 1 1 33 33 ASP C C 13 178.9 0.2 . 1 . . . . . . . . . 5903 1
120 . 1 1 33 33 ASP CA C 13 57.3 0.4 . 1 . . . . . . . . . 5903 1
121 . 1 1 33 33 ASP N N 15 120.6 0.7 . 1 . . . . . . . . . 5903 1
122 . 1 1 34 34 LEU H H 1 9.53 0.01 . 1 . . . . . . . . . 5903 1
123 . 1 1 34 34 LEU C C 13 178.7 0.2 . 1 . . . . . . . . . 5903 1
124 . 1 1 34 34 LEU CA C 13 57.7 0.4 . 1 . . . . . . . . . 5903 1
125 . 1 1 34 34 LEU N N 15 127.3 0.7 . 1 . . . . . . . . . 5903 1
126 . 1 1 35 35 CYS H H 1 8.66 0.01 . 1 . . . . . . . . . 5903 1
127 . 1 1 35 35 CYS C C 13 179.1 0.2 . 1 . . . . . . . . . 5903 1
128 . 1 1 35 35 CYS CA C 13 56.6 0.4 . 1 . . . . . . . . . 5903 1
129 . 1 1 35 35 CYS N N 15 115.2 0.7 . 1 . . . . . . . . . 5903 1
130 . 1 1 36 36 LYS H H 1 8.2 0.01 . 1 . . . . . . . . . 5903 1
131 . 1 1 36 36 LYS C C 13 180.5 0.2 . 1 . . . . . . . . . 5903 1
132 . 1 1 36 36 LYS CA C 13 60.4 0.4 . 1 . . . . . . . . . 5903 1
133 . 1 1 36 36 LYS N N 15 123.1 0.7 . 1 . . . . . . . . . 5903 1
134 . 1 1 37 37 ALA H H 1 8.17 0.01 . 1 . . . . . . . . . 5903 1
135 . 1 1 37 37 ALA C C 13 177.7 0.2 . 1 . . . . . . . . . 5903 1
136 . 1 1 37 37 ALA CA C 13 55.6 0.4 . 1 . . . . . . . . . 5903 1
137 . 1 1 37 37 ALA N N 15 125.8 0.7 . 1 . . . . . . . . . 5903 1
138 . 1 1 38 38 PHE H H 1 7.67 0.01 . 1 . . . . . . . . . 5903 1
139 . 1 1 38 38 PHE C C 13 177.0 0.2 . 1 . . . . . . . . . 5903 1
140 . 1 1 38 38 PHE CA C 13 59.4 0.4 . 1 . . . . . . . . . 5903 1
141 . 1 1 38 38 PHE N N 15 115.4 0.7 . 1 . . . . . . . . . 5903 1
142 . 1 1 39 39 ASN H H 1 9.01 0.01 . 1 . . . . . . . . . 5903 1
143 . 1 1 39 39 ASN C C 13 173.8 0.2 . 1 . . . . . . . . . 5903 1
144 . 1 1 39 39 ASN CA C 13 54.6 0.4 . 1 . . . . . . . . . 5903 1
145 . 1 1 39 39 ASN N N 15 123.4 0.7 . 1 . . . . . . . . . 5903 1
146 . 1 1 40 40 SER H H 1 8.23 0.01 . 1 . . . . . . . . . 5903 1
147 . 1 1 40 40 SER C C 13 171.8 0.2 . 1 . . . . . . . . . 5903 1
148 . 1 1 40 40 SER CA C 13 58.7 0.4 . 1 . . . . . . . . . 5903 1
149 . 1 1 40 40 SER N N 15 112.2 0.7 . 1 . . . . . . . . . 5903 1
150 . 1 1 41 41 THR H H 1 9.09 0.01 . 1 . . . . . . . . . 5903 1
151 . 1 1 41 41 THR C C 13 175.3 0.2 . 1 . . . . . . . . . 5903 1
152 . 1 1 41 41 THR CA C 13 59.3 0.4 . 1 . . . . . . . . . 5903 1
153 . 1 1 41 41 THR N N 15 112.6 0.7 . 1 . . . . . . . . . 5903 1
154 . 1 1 42 42 LEU H H 1 9.08 0.01 . 1 . . . . . . . . . 5903 1
155 . 1 1 42 42 LEU CA C 13 54.1 0.4 . 1 . . . . . . . . . 5903 1
156 . 1 1 42 42 LEU N N 15 125.1 0.7 . 1 . . . . . . . . . 5903 1
157 . 1 1 43 43 PRO C C 13 175.6 0.2 . 1 . . . . . . . . . 5903 1
158 . 1 1 44 44 THR H H 1 8.46 0.01 . 1 . . . . . . . . . 5903 1
159 . 1 1 44 44 THR C C 13 176.4 0.2 . 1 . . . . . . . . . 5903 1
160 . 1 1 44 44 THR CA C 13 60.1 0.4 . 1 . . . . . . . . . 5903 1
161 . 1 1 44 44 THR N N 15 111.9 0.7 . 1 . . . . . . . . . 5903 1
162 . 1 1 45 45 MET H H 1 8.96 0.01 . 1 . . . . . . . . . 5903 1
163 . 1 1 45 45 MET C C 13 178.1 0.2 . 1 . . . . . . . . . 5903 1
164 . 1 1 45 45 MET CA C 13 57.7 0.4 . 1 . . . . . . . . . 5903 1
165 . 1 1 45 45 MET N N 15 121.8 0.7 . 1 . . . . . . . . . 5903 1
166 . 1 1 46 46 ALA H H 1 8.40 0.01 . 1 . . . . . . . . . 5903 1
167 . 1 1 46 46 ALA C C 13 181.7 0.2 . 1 . . . . . . . . . 5903 1
168 . 1 1 46 46 ALA CA C 13 55.0 0.4 . 1 . . . . . . . . . 5903 1
169 . 1 1 46 46 ALA N N 15 121.1 0.7 . 1 . . . . . . . . . 5903 1
170 . 1 1 47 47 GLN H H 1 7.70 0.01 . 1 . . . . . . . . . 5903 1
171 . 1 1 47 47 GLN C C 13 180.0 0.2 . 1 . . . . . . . . . 5903 1
172 . 1 1 47 47 GLN CA C 13 58.5 0.4 . 1 . . . . . . . . . 5903 1
173 . 1 1 47 47 GLN N N 15 119.7 0.7 . 1 . . . . . . . . . 5903 1
174 . 1 1 48 48 MET H H 1 8.11 0.01 . 1 . . . . . . . . . 5903 1
175 . 1 1 48 48 MET C C 13 178.0 0.2 . 1 . . . . . . . . . 5903 1
176 . 1 1 48 48 MET CA C 13 56.3 0.4 . 1 . . . . . . . . . 5903 1
177 . 1 1 48 48 MET N N 15 120.1 0.7 . 1 . . . . . . . . . 5903 1
178 . 1 1 49 49 GLU H H 1 8.8 0.01 . 1 . . . . . . . . . 5903 1
179 . 1 1 49 49 GLU C C 13 179.9 0.2 . 1 . . . . . . . . . 5903 1
180 . 1 1 49 49 GLU CA C 13 59.8 0.4 . 1 . . . . . . . . . 5903 1
181 . 1 1 49 49 GLU N N 15 120.8 0.7 . 1 . . . . . . . . . 5903 1
182 . 1 1 50 50 LYS H H 1 7.94 0.01 . 1 . . . . . . . . . 5903 1
183 . 1 1 50 50 LYS C C 13 179.7 0.2 . 1 . . . . . . . . . 5903 1
184 . 1 1 50 50 LYS CA C 13 58.4 0.4 . 1 . . . . . . . . . 5903 1
185 . 1 1 50 50 LYS N N 15 121.9 0.7 . 1 . . . . . . . . . 5903 1
186 . 1 1 51 51 ALA H H 1 7.81 0.01 . 1 . . . . . . . . . 5903 1
187 . 1 1 51 51 ALA C C 13 179.9 0.2 . 1 . . . . . . . . . 5903 1
188 . 1 1 51 51 ALA CA C 13 55.6 0.4 . 1 . . . . . . . . . 5903 1
189 . 1 1 51 51 ALA N N 15 124.1 0.7 . 1 . . . . . . . . . 5903 1
190 . 1 1 52 52 LEU H H 1 8.60 0.01 . 1 . . . . . . . . . 5903 1
191 . 1 1 52 52 LEU C C 13 181.0 0.2 . 1 . . . . . . . . . 5903 1
192 . 1 1 52 52 LEU CA C 13 58.3 0.4 . 1 . . . . . . . . . 5903 1
193 . 1 1 52 52 LEU N N 15 122.2 0.7 . 1 . . . . . . . . . 5903 1
194 . 1 1 53 53 SER H H 1 7.92 0.01 . 1 . . . . . . . . . 5903 1
195 . 1 1 53 53 SER C C 13 175.2 0.2 . 1 . . . . . . . . . 5903 1
196 . 1 1 53 53 SER CA C 13 61.5 0.4 . 1 . . . . . . . . . 5903 1
197 . 1 1 53 53 SER N N 15 115.2 0.7 . 1 . . . . . . . . . 5903 1
198 . 1 1 54 54 ILE H H 1 7.43 0.01 . 1 . . . . . . . . . 5903 1
199 . 1 1 54 54 ILE C C 13 176.0 0.2 . 1 . . . . . . . . . 5903 1
200 . 1 1 54 54 ILE CA C 13 60.5 0.4 . 1 . . . . . . . . . 5903 1
201 . 1 1 54 54 ILE N N 15 115.4 0.7 . 1 . . . . . . . . . 5903 1
202 . 1 1 55 55 GLY H H 1 7.76 0.01 . 1 . . . . . . . . . 5903 1
203 . 1 1 55 55 GLY C C 13 174.1 0.2 . 1 . . . . . . . . . 5903 1
204 . 1 1 55 55 GLY CA C 13 45.1 0.4 . 1 . . . . . . . . . 5903 1
205 . 1 1 55 55 GLY N N 15 107.3 0.7 . 1 . . . . . . . . . 5903 1
206 . 1 1 56 56 PHE H H 1 7.89 0.01 . 1 . . . . . . . . . 5903 1
207 . 1 1 56 56 PHE C C 13 170.8 0.2 . 1 . . . . . . . . . 5903 1
208 . 1 1 56 56 PHE CA C 13 57.3 0.4 . 1 . . . . . . . . . 5903 1
209 . 1 1 56 56 PHE N N 15 125 0.7 . 1 . . . . . . . . . 5903 1
210 . 1 1 57 57 GLU H H 1 6.89 0.01 . 1 . . . . . . . . . 5903 1
211 . 1 1 57 57 GLU C C 13 174.7 0.2 . 1 . . . . . . . . . 5903 1
212 . 1 1 57 57 GLU CA C 13 54.1 0.4 . 1 . . . . . . . . . 5903 1
213 . 1 1 57 57 GLU N N 15 120.1 0.7 . 1 . . . . . . . . . 5903 1
214 . 1 1 58 58 THR H H 1 7.94 0.01 . 1 . . . . . . . . . 5903 1
215 . 1 1 58 58 THR C C 13 172.6 0.2 . 1 . . . . . . . . . 5903 1
216 . 1 1 58 58 THR CA C 13 59.0 0.4 . 1 . . . . . . . . . 5903 1
217 . 1 1 58 58 THR N N 15 110.9 0.7 . 1 . . . . . . . . . 5903 1
218 . 1 1 59 59 CYS H H 1 8.96 0.01 . 1 . . . . . . . . . 5903 1
219 . 1 1 59 59 CYS C C 13 175.2 0.2 . 1 . . . . . . . . . 5903 1
220 . 1 1 59 59 CYS CA C 13 55.8 0.4 . 1 . . . . . . . . . 5903 1
221 . 1 1 59 59 CYS N N 15 120.6 0.7 . 1 . . . . . . . . . 5903 1
222 . 1 1 60 60 ARG H H 1 7.90 0.01 . 1 . . . . . . . . . 5903 1
223 . 1 1 60 60 ARG C C 13 179.2 0.2 . 1 . . . . . . . . . 5903 1
224 . 1 1 60 60 ARG CA C 13 52.9 0.4 . 1 . . . . . . . . . 5903 1
225 . 1 1 60 60 ARG N N 15 119.8 0.7 . 1 . . . . . . . . . 5903 1
226 . 1 1 61 61 TYR H H 1 8.41 0.01 . 1 . . . . . . . . . 5903 1
227 . 1 1 61 61 TYR C C 13 176.4 0.2 . 1 . . . . . . . . . 5903 1
228 . 1 1 61 61 TYR CA C 13 57.9 0.4 . 1 . . . . . . . . . 5903 1
229 . 1 1 61 61 TYR N N 15 123.7 0.7 . 1 . . . . . . . . . 5903 1
230 . 1 1 62 62 GLY H H 1 9.21 0.01 . 1 . . . . . . . . . 5903 1
231 . 1 1 62 62 GLY C C 13 171.9 0.2 . 1 . . . . . . . . . 5903 1
232 . 1 1 62 62 GLY CA C 13 44.8 0.4 . 1 . . . . . . . . . 5903 1
233 . 1 1 62 62 GLY N N 15 106.2 0.7 . 1 . . . . . . . . . 5903 1
234 . 1 1 63 63 PHE H H 1 7.86 0.01 . 1 . . . . . . . . . 5903 1
235 . 1 1 63 63 PHE C C 13 175.3 0.2 . 1 . . . . . . . . . 5903 1
236 . 1 1 63 63 PHE CA C 13 61.5 0.4 . 1 . . . . . . . . . 5903 1
237 . 1 1 63 63 PHE N N 15 121.2 0.7 . 1 . . . . . . . . . 5903 1
238 . 1 1 64 64 ILE H H 1 8.78 0.01 . 1 . . . . . . . . . 5903 1
239 . 1 1 64 64 ILE C C 13 175.7 0.2 . 1 . . . . . . . . . 5903 1
240 . 1 1 64 64 ILE CA C 13 60.9 0.4 . 1 . . . . . . . . . 5903 1
241 . 1 1 64 64 ILE N N 15 111.4 0.7 . 1 . . . . . . . . . 5903 1
242 . 1 1 65 65 GLU H H 1 9.20 0.01 . 1 . . . . . . . . . 5903 1
243 . 1 1 65 65 GLU C C 13 177.1 0.2 . 1 . . . . . . . . . 5903 1
244 . 1 1 65 65 GLU CA C 13 58.9 0.4 . 1 . . . . . . . . . 5903 1
245 . 1 1 65 65 GLU N N 15 123.4 0.7 . 1 . . . . . . . . . 5903 1
246 . 1 1 66 66 GLY H H 1 8.62 0.01 . 1 . . . . . . . . . 5903 1
247 . 1 1 66 66 GLY C C 13 173.4 0.2 . 1 . . . . . . . . . 5903 1
248 . 1 1 66 66 GLY CA C 13 46.0 0.4 . 1 . . . . . . . . . 5903 1
249 . 1 1 66 66 GLY N N 15 117.1 0.7 . 1 . . . . . . . . . 5903 1
250 . 1 1 67 67 HIS H H 1 7.13 0.01 . 1 . . . . . . . . . 5903 1
251 . 1 1 67 67 HIS C C 13 172.3 0.2 . 1 . . . . . . . . . 5903 1
252 . 1 1 67 67 HIS CA C 13 55.2 0.4 . 1 . . . . . . . . . 5903 1
253 . 1 1 67 67 HIS N N 15 115.0 0.7 . 1 . . . . . . . . . 5903 1
254 . 1 1 68 68 VAL H H 1 8.89 0.01 . 1 . . . . . . . . . 5903 1
255 . 1 1 68 68 VAL C C 13 175.5 0.2 . 1 . . . . . . . . . 5903 1
256 . 1 1 68 68 VAL CA C 13 62.8 0.4 . 1 . . . . . . . . . 5903 1
257 . 1 1 68 68 VAL N N 15 123.5 0.7 . 1 . . . . . . . . . 5903 1
258 . 1 1 69 69 VAL H H 1 8.67 0.01 . 1 . . . . . . . . . 5903 1
259 . 1 1 69 69 VAL C C 13 175.2 0.2 . 1 . . . . . . . . . 5903 1
260 . 1 1 69 69 VAL CA C 13 57.6 0.4 . 1 . . . . . . . . . 5903 1
261 . 1 1 69 69 VAL N N 15 115.8 0.7 . 1 . . . . . . . . . 5903 1
262 . 1 1 70 70 ILE H H 1 8.51 0.01 . 1 . . . . . . . . . 5903 1
263 . 1 1 70 70 ILE CA C 13 57.7 0.4 . 1 . . . . . . . . . 5903 1
264 . 1 1 70 70 ILE N N 15 117.3 0.7 . 1 . . . . . . . . . 5903 1
265 . 1 1 71 71 PRO C C 13 174.3 0.2 . 1 . . . . . . . . . 5903 1
266 . 1 1 72 72 ARG H H 1 8.46 0.01 . 1 . . . . . . . . . 5903 1
267 . 1 1 72 72 ARG C C 13 175.0 0.2 . 1 . . . . . . . . . 5903 1
268 . 1 1 72 72 ARG CA C 13 52.2 0.4 . 1 . . . . . . . . . 5903 1
269 . 1 1 72 72 ARG N N 15 121.3 0.7 . 1 . . . . . . . . . 5903 1
270 . 1 1 73 73 ILE H H 1 9.55 0.01 . 1 . . . . . . . . . 5903 1
271 . 1 1 73 73 ILE C C 13 175.6 0.2 . 1 . . . . . . . . . 5903 1
272 . 1 1 73 73 ILE CA C 13 62.6 0.4 . 1 . . . . . . . . . 5903 1
273 . 1 1 73 73 ILE N N 15 126.3 0.7 . 1 . . . . . . . . . 5903 1
274 . 1 1 74 74 HIS H H 1 9.13 0.01 . 1 . . . . . . . . . 5903 1
275 . 1 1 74 74 HIS CA C 13 53.5 0.4 . 1 . . . . . . . . . 5903 1
276 . 1 1 74 74 HIS N N 15 120.7 0.7 . 1 . . . . . . . . . 5903 1
277 . 1 1 78 78 ILE H H 1 7.88 0.01 . 1 . . . . . . . . . 5903 1
278 . 1 1 78 78 ILE C C 13 175.9 0.2 . 1 . . . . . . . . . 5903 1
279 . 1 1 78 78 ILE CA C 13 61.6 0.4 . 1 . . . . . . . . . 5903 1
280 . 1 1 78 78 ILE N N 15 115.9 0.7 . 1 . . . . . . . . . 5903 1
281 . 1 1 79 79 CYS H H 1 7.55 0.01 . 1 . . . . . . . . . 5903 1
282 . 1 1 79 79 CYS C C 13 171.9 0.2 . 1 . . . . . . . . . 5903 1
283 . 1 1 79 79 CYS CA C 13 52.8 0.4 . 1 . . . . . . . . . 5903 1
284 . 1 1 79 79 CYS N N 15 119.5 0.7 . 1 . . . . . . . . . 5903 1
285 . 1 1 80 80 ALA H H 1 9.08 0.01 . 1 . . . . . . . . . 5903 1
286 . 1 1 80 80 ALA C C 13 176.4 0.2 . 1 . . . . . . . . . 5903 1
287 . 1 1 80 80 ALA CA C 13 52.8 0.4 . 1 . . . . . . . . . 5903 1
288 . 1 1 80 80 ALA N N 15 124.5 0.7 . 1 . . . . . . . . . 5903 1
289 . 1 1 81 81 ALA H H 1 8.24 0.01 . 1 . . . . . . . . . 5903 1
290 . 1 1 81 81 ALA C C 13 175.6 0.2 . 1 . . . . . . . . . 5903 1
291 . 1 1 81 81 ALA CA C 13 53.2 0.4 . 1 . . . . . . . . . 5903 1
292 . 1 1 81 81 ALA N N 15 119.7 0.7 . 1 . . . . . . . . . 5903 1
293 . 1 1 82 82 ASN H H 1 7.42 0.01 . 1 . . . . . . . . . 5903 1
294 . 1 1 82 82 ASN C C 13 174.6 0.2 . 1 . . . . . . . . . 5903 1
295 . 1 1 82 82 ASN CA C 13 55.1 0.4 . 1 . . . . . . . . . 5903 1
296 . 1 1 82 82 ASN N N 15 110.4 0.7 . 1 . . . . . . . . . 5903 1
297 . 1 1 83 83 ASN H H 1 7.78 0.01 . 1 . . . . . . . . . 5903 1
298 . 1 1 83 83 ASN C C 13 174.8 0.2 . 1 . . . . . . . . . 5903 1
299 . 1 1 83 83 ASN CA C 13 54.8 0.4 . 1 . . . . . . . . . 5903 1
300 . 1 1 83 83 ASN N N 15 117.9 0.7 . 1 . . . . . . . . . 5903 1
301 . 1 1 84 84 THR H H 1 8.32 0.01 . 1 . . . . . . . . . 5903 1
302 . 1 1 84 84 THR C C 13 174.2 0.2 . 1 . . . . . . . . . 5903 1
303 . 1 1 84 84 THR CA C 13 60.4 0.4 . 1 . . . . . . . . . 5903 1
304 . 1 1 84 84 THR N N 15 108.2 0.7 . 1 . . . . . . . . . 5903 1
305 . 1 1 85 85 GLY H H 1 9.01 0.01 . 1 . . . . . . . . . 5903 1
306 . 1 1 85 85 GLY C C 13 173.3 0.2 . 1 . . . . . . . . . 5903 1
307 . 1 1 85 85 GLY CA C 13 43.8 0.4 . 1 . . . . . . . . . 5903 1
308 . 1 1 85 85 GLY N N 15 109.4 0.7 . 1 . . . . . . . . . 5903 1
309 . 1 1 86 86 VAL H H 1 8.73 0.01 . 1 . . . . . . . . . 5903 1
310 . 1 1 86 86 VAL C C 13 173.8 0.2 . 1 . . . . . . . . . 5903 1
311 . 1 1 86 86 VAL CA C 13 62.7 0.4 . 1 . . . . . . . . . 5903 1
312 . 1 1 86 86 VAL N N 15 121.8 0.7 . 1 . . . . . . . . . 5903 1
313 . 1 1 87 87 TYR H H 1 8.23 0.01 . 1 . . . . . . . . . 5903 1
314 . 1 1 87 87 TYR C C 13 174.5 0.2 . 1 . . . . . . . . . 5903 1
315 . 1 1 87 87 TYR CA C 13 58.5 0.4 . 1 . . . . . . . . . 5903 1
316 . 1 1 87 87 TYR N N 15 131 0.7 . 1 . . . . . . . . . 5903 1
317 . 1 1 88 88 ILE H H 1 7.42 0.01 . 1 . . . . . . . . . 5903 1
318 . 1 1 88 88 ILE C C 13 174.6 0.2 . 1 . . . . . . . . . 5903 1
319 . 1 1 88 88 ILE CA C 13 60.8 0.4 . 1 . . . . . . . . . 5903 1
320 . 1 1 88 88 ILE N N 15 127.8 0.7 . 1 . . . . . . . . . 5903 1
321 . 1 1 89 89 LEU H H 1 8.44 0.01 . 1 . . . . . . . . . 5903 1
322 . 1 1 89 89 LEU C C 13 176.9 0.2 . 1 . . . . . . . . . 5903 1
323 . 1 1 89 89 LEU CA C 13 53.5 0.4 . 1 . . . . . . . . . 5903 1
324 . 1 1 89 89 LEU N N 15 129.9 0.7 . 1 . . . . . . . . . 5903 1
325 . 1 1 90 90 THR H H 1 8.46 0.01 . 1 . . . . . . . . . 5903 1
326 . 1 1 90 90 THR C C 13 174.4 0.2 . 1 . . . . . . . . . 5903 1
327 . 1 1 90 90 THR CA C 13 63 0.4 . 1 . . . . . . . . . 5903 1
328 . 1 1 90 90 THR N N 15 122.3 0.7 . 1 . . . . . . . . . 5903 1
329 . 1 1 91 91 SER H H 1 7.87 0.01 . 1 . . . . . . . . . 5903 1
330 . 1 1 91 91 SER CA C 13 57.2 0.4 . 1 . . . . . . . . . 5903 1
331 . 1 1 91 91 SER N N 15 119.2 0.7 . 1 . . . . . . . . . 5903 1
332 . 1 1 93 93 THR H H 1 8.19 0.01 . 1 . . . . . . . . . 5903 1
333 . 1 1 93 93 THR C C 13 174.7 0.2 . 1 . . . . . . . . . 5903 1
334 . 1 1 93 93 THR CA C 13 62.1 0.4 . 1 . . . . . . . . . 5903 1
335 . 1 1 93 93 THR N N 15 113.7 0.7 . 1 . . . . . . . . . 5903 1
336 . 1 1 94 94 SER H H 1 8.12 0.01 . 1 . . . . . . . . . 5903 1
337 . 1 1 94 94 SER C C 13 173.3 0.2 . 1 . . . . . . . . . 5903 1
338 . 1 1 94 94 SER CA C 13 58.2 0.4 . 1 . . . . . . . . . 5903 1
339 . 1 1 94 94 SER N N 15 117.0 0.7 . 1 . . . . . . . . . 5903 1
340 . 1 1 95 95 GLN H H 1 7.27 0.01 . 1 . . . . . . . . . 5903 1
341 . 1 1 95 95 GLN C C 13 173.7 0.2 . 1 . . . . . . . . . 5903 1
342 . 1 1 95 95 GLN CA C 13 54.8 0.4 . 1 . . . . . . . . . 5903 1
343 . 1 1 95 95 GLN N N 15 119.3 0.7 . 1 . . . . . . . . . 5903 1
344 . 1 1 96 96 TYR H H 1 8.65 0.01 . 1 . . . . . . . . . 5903 1
345 . 1 1 96 96 TYR C C 13 174.6 0.2 . 1 . . . . . . . . . 5903 1
346 . 1 1 96 96 TYR CA C 13 57.9 0.4 . 1 . . . . . . . . . 5903 1
347 . 1 1 96 96 TYR N N 15 120.1 0.7 . 1 . . . . . . . . . 5903 1
348 . 1 1 97 97 ASP H H 1 7.82 0.01 . 1 . . . . . . . . . 5903 1
349 . 1 1 97 97 ASP C C 13 175.2 0.2 . 1 . . . . . . . . . 5903 1
350 . 1 1 97 97 ASP CA C 13 54.5 0.4 . 1 . . . . . . . . . 5903 1
351 . 1 1 97 97 ASP N N 15 120.6 0.7 . 1 . . . . . . . . . 5903 1
352 . 1 1 98 98 THR H H 1 8.07 0.01 . 1 . . . . . . . . . 5903 1
353 . 1 1 98 98 THR CA C 13 62.6 0.4 . 1 . . . . . . . . . 5903 1
354 . 1 1 98 98 THR N N 15 111.5 0.7 . 1 . . . . . . . . . 5903 1
355 . 1 1 99 99 TYR H H 1 8.61 0.01 . 1 . . . . . . . . . 5903 1
356 . 1 1 99 99 TYR C C 13 174.7 0.2 . 1 . . . . . . . . . 5903 1
357 . 1 1 99 99 TYR CA C 13 56.8 0.4 . 1 . . . . . . . . . 5903 1
358 . 1 1 99 99 TYR N N 15 123.7 0.7 . 1 . . . . . . . . . 5903 1
359 . 1 1 100 100 CYS H H 1 8.52 0.01 . 1 . . . . . . . . . 5903 1
360 . 1 1 100 100 CYS C C 13 172.3 0.2 . 1 . . . . . . . . . 5903 1
361 . 1 1 100 100 CYS CA C 13 51.6 0.4 . 1 . . . . . . . . . 5903 1
362 . 1 1 100 100 CYS N N 15 114.2 0.7 . 1 . . . . . . . . . 5903 1
363 . 1 1 101 101 PHE H H 1 9.95 0.01 . 1 . . . . . . . . . 5903 1
364 . 1 1 101 101 PHE C C 13 172.8 0.2 . 1 . . . . . . . . . 5903 1
365 . 1 1 101 101 PHE CA C 13 56.4 0.4 . 1 . . . . . . . . . 5903 1
366 . 1 1 101 101 PHE N N 15 121.2 0.7 . 1 . . . . . . . . . 5903 1
367 . 1 1 102 102 ASN H H 1 9.06 0.01 . 1 . . . . . . . . . 5903 1
368 . 1 1 102 102 ASN C C 13 174.6 0.2 . 1 . . . . . . . . . 5903 1
369 . 1 1 102 102 ASN CA C 13 51.7 0.4 . 1 . . . . . . . . . 5903 1
370 . 1 1 102 102 ASN N N 15 129.0 0.7 . 1 . . . . . . . . . 5903 1
371 . 1 1 103 103 ALA H H 1 8.75 0.01 . 1 . . . . . . . . . 5903 1
372 . 1 1 103 103 ALA C C 13 177.6 0.2 . 1 . . . . . . . . . 5903 1
373 . 1 1 103 103 ALA CA C 13 54.0 0.4 . 1 . . . . . . . . . 5903 1
374 . 1 1 103 103 ALA N N 15 128.4 0.7 . 1 . . . . . . . . . 5903 1
375 . 1 1 104 104 SER H H 1 8.13 0.01 . 1 . . . . . . . . . 5903 1
376 . 1 1 104 104 SER C C 13 173.7 0.2 . 1 . . . . . . . . . 5903 1
377 . 1 1 104 104 SER CA C 13 58.6 0.4 . 1 . . . . . . . . . 5903 1
378 . 1 1 104 104 SER N N 15 112.7 0.7 . 1 . . . . . . . . . 5903 1
379 . 1 1 105 105 ALA H H 1 6.90 0.01 . 1 . . . . . . . . . 5903 1
380 . 1 1 105 105 ALA CA C 13 50.6 0.4 . 1 . . . . . . . . . 5903 1
381 . 1 1 105 105 ALA N N 15 126.2 0.7 . 1 . . . . . . . . . 5903 1
382 . 1 1 107 107 PRO C C 13 175.9 0.2 . 1 . . . . . . . . . 5903 1
383 . 1 1 108 108 GLU H H 1 7.86 0.01 . 1 . . . . . . . . . 5903 1
384 . 1 1 108 108 GLU C C 13 174.7 0.2 . 1 . . . . . . . . . 5903 1
385 . 1 1 108 108 GLU CA C 13 55.3 0.4 . 1 . . . . . . . . . 5903 1
386 . 1 1 108 108 GLU N N 15 116.7 0.7 . 1 . . . . . . . . . 5903 1
387 . 1 1 109 109 GLU H H 1 8.31 0.01 . 1 . . . . . . . . . 5903 1
388 . 1 1 109 109 GLU C C 13 173.2 0.2 . 1 . . . . . . . . . 5903 1
389 . 1 1 109 109 GLU CA C 13 56.3 0.4 . 1 . . . . . . . . . 5903 1
390 . 1 1 109 109 GLU N N 15 124.0 0.7 . 1 . . . . . . . . . 5903 1
391 . 1 1 110 110 ASP H H 1 9.45 0.01 . 1 . . . . . . . . . 5903 1
392 . 1 1 110 110 ASP C C 13 176.5 0.2 . 1 . . . . . . . . . 5903 1
393 . 1 1 110 110 ASP CA C 13 53.2 0.4 . 1 . . . . . . . . . 5903 1
394 . 1 1 110 110 ASP N N 15 127.9 0.7 . 1 . . . . . . . . . 5903 1
395 . 1 1 111 111 CYS H H 1 9.34 0.01 . 1 . . . . . . . . . 5903 1
396 . 1 1 111 111 CYS C C 13 175.3 0.2 . 1 . . . . . . . . . 5903 1
397 . 1 1 111 111 CYS CA C 13 52.6 0.4 . 1 . . . . . . . . . 5903 1
398 . 1 1 111 111 CYS N N 15 125.2 0.7 . 1 . . . . . . . . . 5903 1
399 . 1 1 112 112 THR H H 1 8.18 0.01 . 1 . . . . . . . . . 5903 1
400 . 1 1 112 112 THR C C 13 175.2 0.2 . 1 . . . . . . . . . 5903 1
401 . 1 1 112 112 THR CA C 13 64.7 0.4 . 1 . . . . . . . . . 5903 1
402 . 1 1 112 112 THR N N 15 119.7 0.7 . 1 . . . . . . . . . 5903 1
403 . 1 1 113 113 SER H H 1 8.72 0.01 . 1 . . . . . . . . . 5903 1
404 . 1 1 113 113 SER C C 13 173.7 0.2 . 1 . . . . . . . . . 5903 1
405 . 1 1 113 113 SER CA C 13 60.1 0.4 . 1 . . . . . . . . . 5903 1
406 . 1 1 113 113 SER N N 15 122.8 0.7 . 1 . . . . . . . . . 5903 1
407 . 1 1 114 114 VAL H H 1 8.87 0.01 . 1 . . . . . . . . . 5903 1
408 . 1 1 114 114 VAL C C 13 176.1 0.2 . 1 . . . . . . . . . 5903 1
409 . 1 1 114 114 VAL CA C 13 62.7 0.4 . 1 . . . . . . . . . 5903 1
410 . 1 1 114 114 VAL N N 15 129.0 0.7 . 1 . . . . . . . . . 5903 1
411 . 1 1 115 115 THR H H 1 8.06 0.01 . 1 . . . . . . . . . 5903 1
412 . 1 1 115 115 THR C C 13 172.7 0.2 . 1 . . . . . . . . . 5903 1
413 . 1 1 115 115 THR CA C 13 60.8 0.4 . 1 . . . . . . . . . 5903 1
414 . 1 1 115 115 THR N N 15 114.3 0.7 . 1 . . . . . . . . . 5903 1
415 . 1 1 116 116 ASP H H 1 7.38 0.01 . 1 . . . . . . . . . 5903 1
416 . 1 1 116 116 ASP C C 13 172.8 0.2 . 1 . . . . . . . . . 5903 1
417 . 1 1 116 116 ASP CA C 13 53.0 0.4 . 1 . . . . . . . . . 5903 1
418 . 1 1 116 116 ASP N N 15 117.5 0.7 . 1 . . . . . . . . . 5903 1
419 . 1 1 117 117 LEU H H 1 8.85 0.01 . 1 . . . . . . . . . 5903 1
420 . 1 1 117 117 LEU CA C 13 51.4 0.4 . 1 . . . . . . . . . 5903 1
421 . 1 1 117 117 LEU N N 15 120.1 0.7 . 1 . . . . . . . . . 5903 1
422 . 1 1 119 119 ASN H H 1 8.19 0.01 . 1 . . . . . . . . . 5903 1
423 . 1 1 119 119 ASN C C 13 176.2 0.2 . 1 . . . . . . . . . 5903 1
424 . 1 1 119 119 ASN CA C 13 51.2 0.4 . 1 . . . . . . . . . 5903 1
425 . 1 1 119 119 ASN N N 15 113.7 0.7 . 1 . . . . . . . . . 5903 1
426 . 1 1 120 120 ALA H H 1 7.17 0.01 . 1 . . . . . . . . . 5903 1
427 . 1 1 120 120 ALA C C 13 175.4 0.2 . 1 . . . . . . . . . 5903 1
428 . 1 1 120 120 ALA CA C 13 52.7 0.4 . 1 . . . . . . . . . 5903 1
429 . 1 1 120 120 ALA N N 15 122.5 0.7 . 1 . . . . . . . . . 5903 1
430 . 1 1 121 121 PHE H H 1 8.16 0.01 . 1 . . . . . . . . . 5903 1
431 . 1 1 121 121 PHE C C 13 175.1 0.2 . 1 . . . . . . . . . 5903 1
432 . 1 1 121 121 PHE CA C 13 54.1 0.4 . 1 . . . . . . . . . 5903 1
433 . 1 1 121 121 PHE N N 15 119.7 0.7 . 1 . . . . . . . . . 5903 1
434 . 1 1 122 122 ASP H H 1 8.50 0.01 . 1 . . . . . . . . . 5903 1
435 . 1 1 122 122 ASP C C 13 176.1 0.2 . 1 . . . . . . . . . 5903 1
436 . 1 1 122 122 ASP CA C 13 55.5 0.4 . 1 . . . . . . . . . 5903 1
437 . 1 1 122 122 ASP N N 15 119.2 0.7 . 1 . . . . . . . . . 5903 1
438 . 1 1 123 123 GLY H H 1 7.97 0.01 . 1 . . . . . . . . . 5903 1
439 . 1 1 123 123 GLY CA C 13 45.4 0.4 . 1 . . . . . . . . . 5903 1
440 . 1 1 123 123 GLY N N 15 109.2 0.7 . 1 . . . . . . . . . 5903 1
441 . 1 1 124 124 PRO C C 13 177.0 0.2 . 1 . . . . . . . . . 5903 1
442 . 1 1 125 125 ILE H H 1 8.21 0.01 . 1 . . . . . . . . . 5903 1
443 . 1 1 125 125 ILE C C 13 177.0 0.2 . 1 . . . . . . . . . 5903 1
444 . 1 1 125 125 ILE CA C 13 59.9 0.4 . 1 . . . . . . . . . 5903 1
445 . 1 1 125 125 ILE N N 15 125.6 0.7 . 1 . . . . . . . . . 5903 1
446 . 1 1 126 126 THR H H 1 8.34 0.01 . 1 . . . . . . . . . 5903 1
447 . 1 1 126 126 THR C C 13 172.8 0.2 . 1 . . . . . . . . . 5903 1
448 . 1 1 126 126 THR CA C 13 63.9 0.4 . 1 . . . . . . . . . 5903 1
449 . 1 1 126 126 THR N N 15 122.8 0.7 . 1 . . . . . . . . . 5903 1
450 . 1 1 127 127 ILE H H 1 9.44 0.01 . 1 . . . . . . . . . 5903 1
451 . 1 1 127 127 ILE C C 13 174.7 0.2 . 1 . . . . . . . . . 5903 1
452 . 1 1 127 127 ILE CA C 13 60.3 0.4 . 1 . . . . . . . . . 5903 1
453 . 1 1 127 127 ILE N N 15 134.6 0.7 . 1 . . . . . . . . . 5903 1
454 . 1 1 128 128 THR H H 1 9.16 0.01 . 1 . . . . . . . . . 5903 1
455 . 1 1 128 128 THR C C 13 175.8 0.2 . 1 . . . . . . . . . 5903 1
456 . 1 1 128 128 THR CA C 13 61.1 0.4 . 1 . . . . . . . . . 5903 1
457 . 1 1 128 128 THR N N 15 123.9 0.7 . 1 . . . . . . . . . 5903 1
458 . 1 1 129 129 ILE H H 1 9.44 0.01 . 1 . . . . . . . . . 5903 1
459 . 1 1 129 129 ILE C C 13 174.8 0.2 . 1 . . . . . . . . . 5903 1
460 . 1 1 129 129 ILE CA C 13 60.9 0.4 . 1 . . . . . . . . . 5903 1
461 . 1 1 129 129 ILE N N 15 127.7 0.7 . 1 . . . . . . . . . 5903 1
462 . 1 1 130 130 VAL H H 1 9.22 0.01 . 1 . . . . . . . . . 5903 1
463 . 1 1 130 130 VAL C C 13 176.0 0.2 . 1 . . . . . . . . . 5903 1
464 . 1 1 130 130 VAL CA C 13 61.9 0.4 . 1 . . . . . . . . . 5903 1
465 . 1 1 130 130 VAL N N 15 128.1 0.7 . 1 . . . . . . . . . 5903 1
466 . 1 1 131 131 ASN H H 1 8.58 0.01 . 1 . . . . . . . . . 5903 1
467 . 1 1 131 131 ASN C C 13 177.3 0.2 . 1 . . . . . . . . . 5903 1
468 . 1 1 131 131 ASN CA C 13 53.7 0.4 . 1 . . . . . . . . . 5903 1
469 . 1 1 131 131 ASN N N 15 124.6 0.7 . 1 . . . . . . . . . 5903 1
470 . 1 1 132 132 ARG H H 1 9.32 0.01 . 1 . . . . . . . . . 5903 1
471 . 1 1 132 132 ARG C C 13 177.1 0.2 . 1 . . . . . . . . . 5903 1
472 . 1 1 132 132 ARG CA C 13 58.4 0.4 . 1 . . . . . . . . . 5903 1
473 . 1 1 132 132 ARG N N 15 124.0 0.7 . 1 . . . . . . . . . 5903 1
474 . 1 1 133 133 ASP H H 1 7.99 0.01 . 1 . . . . . . . . . 5903 1
475 . 1 1 133 133 ASP C C 13 176.9 0.2 . 1 . . . . . . . . . 5903 1
476 . 1 1 133 133 ASP CA C 13 53.6 0.4 . 1 . . . . . . . . . 5903 1
477 . 1 1 133 133 ASP N N 15 117.0 0.7 . 1 . . . . . . . . . 5903 1
478 . 1 1 134 134 GLY H H 1 8.27 0.01 . 1 . . . . . . . . . 5903 1
479 . 1 1 134 134 GLY C C 13 175.0 0.2 . 1 . . . . . . . . . 5903 1
480 . 1 1 134 134 GLY CA C 13 44.8 0.4 . 1 . . . . . . . . . 5903 1
481 . 1 1 134 134 GLY N N 15 109.3 0.7 . 1 . . . . . . . . . 5903 1
482 . 1 1 135 135 THR H H 1 8.35 0.01 . 1 . . . . . . . . . 5903 1
483 . 1 1 135 135 THR C C 13 174.1 0.2 . 1 . . . . . . . . . 5903 1
484 . 1 1 135 135 THR CA C 13 63.4 0.4 . 1 . . . . . . . . . 5903 1
485 . 1 1 135 135 THR N N 15 116.6 0.7 . 1 . . . . . . . . . 5903 1
486 . 1 1 136 136 ARG H H 1 8.18 0.01 . 1 . . . . . . . . . 5903 1
487 . 1 1 136 136 ARG C C 13 175.1 0.2 . 1 . . . . . . . . . 5903 1
488 . 1 1 136 136 ARG CA C 13 54.3 0.4 . 1 . . . . . . . . . 5903 1
489 . 1 1 136 136 ARG N N 15 124.7 0.7 . 1 . . . . . . . . . 5903 1
490 . 1 1 137 137 TYR H H 1 8.84 0.01 . 1 . . . . . . . . . 5903 1
491 . 1 1 137 137 TYR C C 13 173.8 0.2 . 1 . . . . . . . . . 5903 1
492 . 1 1 137 137 TYR CA C 13 57.5 0.4 . 1 . . . . . . . . . 5903 1
493 . 1 1 137 137 TYR N N 15 123.5 0.7 . 1 . . . . . . . . . 5903 1
494 . 1 1 138 138 VAL H H 1 8.57 0.01 . 1 . . . . . . . . . 5903 1
495 . 1 1 138 138 VAL C C 13 175.2 0.2 . 1 . . . . . . . . . 5903 1
496 . 1 1 138 138 VAL CA C 13 61.1 0.4 . 1 . . . . . . . . . 5903 1
497 . 1 1 138 138 VAL N N 15 123.4 0.7 . 1 . . . . . . . . . 5903 1
498 . 1 1 139 139 GLN H H 1 9.48 0.01 . 1 . . . . . . . . . 5903 1
499 . 1 1 139 139 GLN C C 13 173.0 0.2 . 1 . . . . . . . . . 5903 1
500 . 1 1 139 139 GLN CA C 13 54.3 0.4 . 1 . . . . . . . . . 5903 1
501 . 1 1 139 139 GLN N N 15 128.3 0.7 . 1 . . . . . . . . . 5903 1
502 . 1 1 140 140 LYS H H 1 8.64 0.01 . 1 . . . . . . . . . 5903 1
503 . 1 1 140 140 LYS C C 13 177.5 0.2 . 1 . . . . . . . . . 5903 1
504 . 1 1 140 140 LYS CA C 13 53.9 0.4 . 1 . . . . . . . . . 5903 1
505 . 1 1 140 140 LYS N N 15 124.7 0.7 . 1 . . . . . . . . . 5903 1
506 . 1 1 141 141 GLY H H 1 9.15 0.01 . 1 . . . . . . . . . 5903 1
507 . 1 1 141 141 GLY C C 13 169.5 0.2 . 1 . . . . . . . . . 5903 1
508 . 1 1 141 141 GLY CA C 13 46.8 0.4 . 1 . . . . . . . . . 5903 1
509 . 1 1 141 141 GLY N N 15 115.4 0.7 . 1 . . . . . . . . . 5903 1
510 . 1 1 142 142 GLU H H 1 8.00 0.01 . 1 . . . . . . . . . 5903 1
511 . 1 1 142 142 GLU C C 13 170.5 0.2 . 1 . . . . . . . . . 5903 1
512 . 1 1 142 142 GLU CA C 13 54.8 0.4 . 1 . . . . . . . . . 5903 1
513 . 1 1 142 142 GLU N N 15 119.2 0.7 . 1 . . . . . . . . . 5903 1
514 . 1 1 143 143 TYR H H 1 8.79 0.01 . 1 . . . . . . . . . 5903 1
515 . 1 1 143 143 TYR C C 13 174.0 0.2 . 1 . . . . . . . . . 5903 1
516 . 1 1 143 143 TYR CA C 13 57.2 0.4 . 1 . . . . . . . . . 5903 1
517 . 1 1 143 143 TYR N N 15 117.2 0.7 . 1 . . . . . . . . . 5903 1
518 . 1 1 144 144 ARG H H 1 8.96 0.01 . 1 . . . . . . . . . 5903 1
519 . 1 1 144 144 ARG C C 13 175.8 0.2 . 1 . . . . . . . . . 5903 1
520 . 1 1 144 144 ARG CA C 13 57.0 0.4 . 1 . . . . . . . . . 5903 1
521 . 1 1 144 144 ARG N N 15 128.5 0.7 . 1 . . . . . . . . . 5903 1
522 . 1 1 145 145 THR H H 1 8.83 0.01 . 1 . . . . . . . . . 5903 1
523 . 1 1 145 145 THR C C 13 174.9 0.2 . 1 . . . . . . . . . 5903 1
524 . 1 1 145 145 THR CA C 13 61.8 0.4 . 1 . . . . . . . . . 5903 1
525 . 1 1 145 145 THR N N 15 112.1 0.7 . 1 . . . . . . . . . 5903 1
526 . 1 1 146 146 ASN H H 1 8.81 0.01 . 1 . . . . . . . . . 5903 1
527 . 1 1 146 146 ASN CA C 13 49.9 0.4 . 1 . . . . . . . . . 5903 1
528 . 1 1 146 146 ASN N N 15 125.6 0.7 . 1 . . . . . . . . . 5903 1
529 . 1 1 147 147 PRO C C 13 178.0 0.2 . 1 . . . . . . . . . 5903 1
530 . 1 1 148 148 GLU H H 1 7.95 0.01 . 1 . . . . . . . . . 5903 1
531 . 1 1 148 148 GLU C C 13 177.7 0.2 . 1 . . . . . . . . . 5903 1
532 . 1 1 148 148 GLU CA C 13 58.1 0.4 . 1 . . . . . . . . . 5903 1
533 . 1 1 148 148 GLU N N 15 115.8 0.7 . 1 . . . . . . . . . 5903 1
534 . 1 1 149 149 ASP H H 1 7.83 0.01 . 1 . . . . . . . . . 5903 1
535 . 1 1 149 149 ASP C C 13 176.1 0.2 . 1 . . . . . . . . . 5903 1
536 . 1 1 149 149 ASP CA C 13 55.5 0.4 . 1 . . . . . . . . . 5903 1
537 . 1 1 149 149 ASP N N 15 115.6 0.7 . 1 . . . . . . . . . 5903 1
538 . 1 1 150 150 ILE H H 1 7.13 0.01 . 1 . . . . . . . . . 5903 1
539 . 1 1 150 150 ILE C C 13 175.7 0.2 . 1 . . . . . . . . . 5903 1
540 . 1 1 150 150 ILE CA C 13 63.7 0.4 . 1 . . . . . . . . . 5903 1
541 . 1 1 150 150 ILE N N 15 120.9 0.7 . 1 . . . . . . . . . 5903 1
542 . 1 1 151 151 TYR H H 1 7.95 0.01 . 1 . . . . . . . . . 5903 1
543 . 1 1 151 151 TYR CA C 13 54.8 0.4 . 1 . . . . . . . . . 5903 1
544 . 1 1 151 151 TYR N N 15 120.7 0.7 . 1 . . . . . . . . . 5903 1
545 . 1 1 152 152 PRO C C 13 177.6 0.2 . 1 . . . . . . . . . 5903 1
546 . 1 1 153 153 SER H H 1 8.75 0.01 . 1 . . . . . . . . . 5903 1
547 . 1 1 153 153 SER C C 13 174.1 0.2 . 1 . . . . . . . . . 5903 1
548 . 1 1 153 153 SER CA C 13 58.7 0.4 . 1 . . . . . . . . . 5903 1
549 . 1 1 153 153 SER N N 15 118.0 0.7 . 1 . . . . . . . . . 5903 1
550 . 1 1 154 154 ASN H H 1 8.54 0.01 . 1 . . . . . . . . . 5903 1
551 . 1 1 154 154 ASN CA C 13 51.3 0.4 . 1 . . . . . . . . . 5903 1
552 . 1 1 154 154 ASN N N 15 121.8 0.7 . 1 . . . . . . . . . 5903 1
553 . 1 1 155 155 PRO C C 13 177.2 0.2 . 1 . . . . . . . . . 5903 1
554 . 1 1 156 156 THR H H 1 8.34 0.01 . 1 . . . . . . . . . 5903 1
555 . 1 1 156 156 THR C C 13 174.6 0.2 . 1 . . . . . . . . . 5903 1
556 . 1 1 156 156 THR CA C 13 61.6 0.4 . 1 . . . . . . . . . 5903 1
557 . 1 1 156 156 THR N N 15 114.1 0.7 . 1 . . . . . . . . . 5903 1
558 . 1 1 157 157 ASP H H 1 8.33 0.01 . 1 . . . . . . . . . 5903 1
559 . 1 1 157 157 ASP C C 13 175.9 0.2 . 1 . . . . . . . . . 5903 1
560 . 1 1 157 157 ASP CA C 13 54.6 0.4 . 1 . . . . . . . . . 5903 1
561 . 1 1 157 157 ASP N N 15 122.9 0.7 . 1 . . . . . . . . . 5903 1
562 . 1 1 158 158 ASP H H 1 8.35 0.01 . 1 . . . . . . . . . 5903 1
563 . 1 1 158 158 ASP C C 13 175.9 0.2 . 1 . . . . . . . . . 5903 1
564 . 1 1 158 158 ASP CA C 13 54.4 0.4 . 1 . . . . . . . . . 5903 1
565 . 1 1 158 158 ASP N N 15 121.9 0.7 . 1 . . . . . . . . . 5903 1
566 . 1 1 159 159 ASP H H 1 8.28 0.01 . 1 . . . . . . . . . 5903 1
567 . 1 1 159 159 ASP C C 13 175.3 0.2 . 1 . . . . . . . . . 5903 1
568 . 1 1 159 159 ASP CA C 13 54.5 0.4 . 1 . . . . . . . . . 5903 1
569 . 1 1 159 159 ASP N N 15 120.8 0.7 . 1 . . . . . . . . . 5903 1
570 . 1 1 160 160 VAL H H 1 7.63 0.01 . 1 . . . . . . . . . 5903 1
571 . 1 1 160 160 VAL CA C 13 63.6 0.4 . 1 . . . . . . . . . 5903 1
572 . 1 1 160 160 VAL N N 15 124.2 0.7 . 1 . . . . . . . . . 5903 1
stop_
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