data_16682
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16682
_Entry.Title
;
Lipocalin Q83 is a Siderocalin
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-01-18
_Entry.Accession_date 2010-01-18
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.13
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Nicolas Coudevylle . . . 16682
2 Leonhard Geist . . . 16682
3 Markus Hartl . . . 16682
4 Georg Kontaxis . . . 16682
5 Klaus Bister . . . 16682
6 Robert Konrat . . . 16682
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 16682
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 554 16682
'15N chemical shifts' 137 16682
'1H chemical shifts' 667 16682
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 . . 2011-01-18 2010-01-18 update BMRB 'update entry citation' 16682
1 . . 2010-10-18 2010-01-18 original author 'original release' 16682
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2KT4 'BMRB Entry Tracking System' 16682
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 16682
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 20826777
_Citation.Full_citation .
_Citation.Title 'The v-myc-induced Q83 lipocalin is a siderocalin.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Biol. Chem.'
_Citation.Journal_name_full 'The Journal of biological chemistry'
_Citation.Journal_volume 285
_Citation.Journal_issue 53
_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 41646
_Citation.Page_last 41652
_Citation.Year 2010
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Nicolas Coudevylle . . . 16682 1
2 Leonhard Geist . . . 16682 1
3 Matthias Hotzinger . . . 16682 1
4 Markus Hartl . . . 16682 1
5 Georg Kontaxis . . . 16682 1
6 Klaus Bister . . . 16682 1
7 Robert Konrat . . . 16682 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 16682
_Assembly.ID 1
_Assembly.Name Q83/[GaIII(Ent)]3-
_Assembly.BMRB_code .
_Assembly.Number_of_components 3
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 Q83 1 $Q83 A . yes native no no . . . 16682 1
2 Enterobactin 2 $EB4 B . no native no no . . . 16682 1
3 Gallium 3 $GA C . no native no no . . . 16682 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_Q83
_Entity.Sf_category entity
_Entity.Sf_framecode Q83
_Entity.Entry_ID 16682
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name Q83
_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
;
MTVPDRSEIAGKWYVVALAS
NTEFFLREKDKMKMAMARIS
FLGEDELKVSYAVPKPNGCR
KWETTFKKTSDDGEVYYSEE
AKKKVEVLDTDYKSYAVIYA
TRVKDGRTLHMMRLYSRSPE
VSPAATAIFRKLAGERNYTD
EMVAMLPRQEECTVDEV
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 157
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all disulfide bound'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_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 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no BMRB 17577 . Q83 . . . . . 100.00 157 100.00 100.00 2.31e-110 . . . . 16682 1
2 no BMRB 4664 . Q83 . . . . . 100.00 157 100.00 100.00 2.31e-110 . . . . 16682 1
3 no PDB 1JZU . "Cell Transformation By The Myc Oncogene Activates Expression Of A Lipocalin: Analysis Of The Gene (Q83) And Solution Structure " . . . . . 100.00 157 100.00 100.00 2.31e-110 . . . . 16682 1
4 no PDB 2KT4 . "Lipocalin Q83 Is A Siderocalin" . . . . . 100.00 157 100.00 100.00 2.31e-110 . . . . 16682 1
5 no PDB 2LBV . "Siderocalin Q83 Reveals A Dual Ligand Binding Mode" . . . . . 100.00 157 100.00 100.00 2.31e-110 . . . . 16682 1
6 no GB AAF35894 . "lipocalin Q83 [Coturnix coturnix]" . . . . . 99.36 178 100.00 100.00 7.26e-110 . . . . 16682 1
7 no GB AAK31634 . "lipocalin Q83 [Coturnix coturnix]" . . . . . 99.36 178 99.36 100.00 3.14e-109 . . . . 16682 1
8 no SP Q9I9P7 . "RecName: Full=Extracellular fatty acid-binding protein; Short=Ex-FABP; AltName: Full=Lipocalin Q83; Flags: Precursor" . . . . . 99.36 178 100.00 100.00 7.26e-110 . . . . 16682 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . MET . 16682 1
2 . THR . 16682 1
3 . VAL . 16682 1
4 . PRO . 16682 1
5 . ASP . 16682 1
6 . ARG . 16682 1
7 . SER . 16682 1
8 . GLU . 16682 1
9 . ILE . 16682 1
10 . ALA . 16682 1
11 . GLY . 16682 1
12 . LYS . 16682 1
13 . TRP . 16682 1
14 . TYR . 16682 1
15 . VAL . 16682 1
16 . VAL . 16682 1
17 . ALA . 16682 1
18 . LEU . 16682 1
19 . ALA . 16682 1
20 . SER . 16682 1
21 . ASN . 16682 1
22 . THR . 16682 1
23 . GLU . 16682 1
24 . PHE . 16682 1
25 . PHE . 16682 1
26 . LEU . 16682 1
27 . ARG . 16682 1
28 . GLU . 16682 1
29 . LYS . 16682 1
30 . ASP . 16682 1
31 . LYS . 16682 1
32 . MET . 16682 1
33 . LYS . 16682 1
34 . MET . 16682 1
35 . ALA . 16682 1
36 . MET . 16682 1
37 . ALA . 16682 1
38 . ARG . 16682 1
39 . ILE . 16682 1
40 . SER . 16682 1
41 . PHE . 16682 1
42 . LEU . 16682 1
43 . GLY . 16682 1
44 . GLU . 16682 1
45 . ASP . 16682 1
46 . GLU . 16682 1
47 . LEU . 16682 1
48 . LYS . 16682 1
49 . VAL . 16682 1
50 . SER . 16682 1
51 . TYR . 16682 1
52 . ALA . 16682 1
53 . VAL . 16682 1
54 . PRO . 16682 1
55 . LYS . 16682 1
56 . PRO . 16682 1
57 . ASN . 16682 1
58 . GLY . 16682 1
59 . CYS . 16682 1
60 . ARG . 16682 1
61 . LYS . 16682 1
62 . TRP . 16682 1
63 . GLU . 16682 1
64 . THR . 16682 1
65 . THR . 16682 1
66 . PHE . 16682 1
67 . LYS . 16682 1
68 . LYS . 16682 1
69 . THR . 16682 1
70 . SER . 16682 1
71 . ASP . 16682 1
72 . ASP . 16682 1
73 . GLY . 16682 1
74 . GLU . 16682 1
75 . VAL . 16682 1
76 . TYR . 16682 1
77 . TYR . 16682 1
78 . SER . 16682 1
79 . GLU . 16682 1
80 . GLU . 16682 1
81 . ALA . 16682 1
82 . LYS . 16682 1
83 . LYS . 16682 1
84 . LYS . 16682 1
85 . VAL . 16682 1
86 . GLU . 16682 1
87 . VAL . 16682 1
88 . LEU . 16682 1
89 . ASP . 16682 1
90 . THR . 16682 1
91 . ASP . 16682 1
92 . TYR . 16682 1
93 . LYS . 16682 1
94 . SER . 16682 1
95 . TYR . 16682 1
96 . ALA . 16682 1
97 . VAL . 16682 1
98 . ILE . 16682 1
99 . TYR . 16682 1
100 . ALA . 16682 1
101 . THR . 16682 1
102 . ARG . 16682 1
103 . VAL . 16682 1
104 . LYS . 16682 1
105 . ASP . 16682 1
106 . GLY . 16682 1
107 . ARG . 16682 1
108 . THR . 16682 1
109 . LEU . 16682 1
110 . HIS . 16682 1
111 . MET . 16682 1
112 . MET . 16682 1
113 . ARG . 16682 1
114 . LEU . 16682 1
115 . TYR . 16682 1
116 . SER . 16682 1
117 . ARG . 16682 1
118 . SER . 16682 1
119 . PRO . 16682 1
120 . GLU . 16682 1
121 . VAL . 16682 1
122 . SER . 16682 1
123 . PRO . 16682 1
124 . ALA . 16682 1
125 . ALA . 16682 1
126 . THR . 16682 1
127 . ALA . 16682 1
128 . ILE . 16682 1
129 . PHE . 16682 1
130 . ARG . 16682 1
131 . LYS . 16682 1
132 . LEU . 16682 1
133 . ALA . 16682 1
134 . GLY . 16682 1
135 . GLU . 16682 1
136 . ARG . 16682 1
137 . ASN . 16682 1
138 . TYR . 16682 1
139 . THR . 16682 1
140 . ASP . 16682 1
141 . GLU . 16682 1
142 . MET . 16682 1
143 . VAL . 16682 1
144 . ALA . 16682 1
145 . MET . 16682 1
146 . LEU . 16682 1
147 . PRO . 16682 1
148 . ARG . 16682 1
149 . GLN . 16682 1
150 . GLU . 16682 1
151 . GLU . 16682 1
152 . CYS . 16682 1
153 . THR . 16682 1
154 . VAL . 16682 1
155 . ASP . 16682 1
156 . GLU . 16682 1
157 . VAL . 16682 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 16682 1
. THR 2 2 16682 1
. VAL 3 3 16682 1
. PRO 4 4 16682 1
. ASP 5 5 16682 1
. ARG 6 6 16682 1
. SER 7 7 16682 1
. GLU 8 8 16682 1
. ILE 9 9 16682 1
. ALA 10 10 16682 1
. GLY 11 11 16682 1
. LYS 12 12 16682 1
. TRP 13 13 16682 1
. TYR 14 14 16682 1
. VAL 15 15 16682 1
. VAL 16 16 16682 1
. ALA 17 17 16682 1
. LEU 18 18 16682 1
. ALA 19 19 16682 1
. SER 20 20 16682 1
. ASN 21 21 16682 1
. THR 22 22 16682 1
. GLU 23 23 16682 1
. PHE 24 24 16682 1
. PHE 25 25 16682 1
. LEU 26 26 16682 1
. ARG 27 27 16682 1
. GLU 28 28 16682 1
. LYS 29 29 16682 1
. ASP 30 30 16682 1
. LYS 31 31 16682 1
. MET 32 32 16682 1
. LYS 33 33 16682 1
. MET 34 34 16682 1
. ALA 35 35 16682 1
. MET 36 36 16682 1
. ALA 37 37 16682 1
. ARG 38 38 16682 1
. ILE 39 39 16682 1
. SER 40 40 16682 1
. PHE 41 41 16682 1
. LEU 42 42 16682 1
. GLY 43 43 16682 1
. GLU 44 44 16682 1
. ASP 45 45 16682 1
. GLU 46 46 16682 1
. LEU 47 47 16682 1
. LYS 48 48 16682 1
. VAL 49 49 16682 1
. SER 50 50 16682 1
. TYR 51 51 16682 1
. ALA 52 52 16682 1
. VAL 53 53 16682 1
. PRO 54 54 16682 1
. LYS 55 55 16682 1
. PRO 56 56 16682 1
. ASN 57 57 16682 1
. GLY 58 58 16682 1
. CYS 59 59 16682 1
. ARG 60 60 16682 1
. LYS 61 61 16682 1
. TRP 62 62 16682 1
. GLU 63 63 16682 1
. THR 64 64 16682 1
. THR 65 65 16682 1
. PHE 66 66 16682 1
. LYS 67 67 16682 1
. LYS 68 68 16682 1
. THR 69 69 16682 1
. SER 70 70 16682 1
. ASP 71 71 16682 1
. ASP 72 72 16682 1
. GLY 73 73 16682 1
. GLU 74 74 16682 1
. VAL 75 75 16682 1
. TYR 76 76 16682 1
. TYR 77 77 16682 1
. SER 78 78 16682 1
. GLU 79 79 16682 1
. GLU 80 80 16682 1
. ALA 81 81 16682 1
. LYS 82 82 16682 1
. LYS 83 83 16682 1
. LYS 84 84 16682 1
. VAL 85 85 16682 1
. GLU 86 86 16682 1
. VAL 87 87 16682 1
. LEU 88 88 16682 1
. ASP 89 89 16682 1
. THR 90 90 16682 1
. ASP 91 91 16682 1
. TYR 92 92 16682 1
. LYS 93 93 16682 1
. SER 94 94 16682 1
. TYR 95 95 16682 1
. ALA 96 96 16682 1
. VAL 97 97 16682 1
. ILE 98 98 16682 1
. TYR 99 99 16682 1
. ALA 100 100 16682 1
. THR 101 101 16682 1
. ARG 102 102 16682 1
. VAL 103 103 16682 1
. LYS 104 104 16682 1
. ASP 105 105 16682 1
. GLY 106 106 16682 1
. ARG 107 107 16682 1
. THR 108 108 16682 1
. LEU 109 109 16682 1
. HIS 110 110 16682 1
. MET 111 111 16682 1
. MET 112 112 16682 1
. ARG 113 113 16682 1
. LEU 114 114 16682 1
. TYR 115 115 16682 1
. SER 116 116 16682 1
. ARG 117 117 16682 1
. SER 118 118 16682 1
. PRO 119 119 16682 1
. GLU 120 120 16682 1
. VAL 121 121 16682 1
. SER 122 122 16682 1
. PRO 123 123 16682 1
. ALA 124 124 16682 1
. ALA 125 125 16682 1
. THR 126 126 16682 1
. ALA 127 127 16682 1
. ILE 128 128 16682 1
. PHE 129 129 16682 1
. ARG 130 130 16682 1
. LYS 131 131 16682 1
. LEU 132 132 16682 1
. ALA 133 133 16682 1
. GLY 134 134 16682 1
. GLU 135 135 16682 1
. ARG 136 136 16682 1
. ASN 137 137 16682 1
. TYR 138 138 16682 1
. THR 139 139 16682 1
. ASP 140 140 16682 1
. GLU 141 141 16682 1
. MET 142 142 16682 1
. VAL 143 143 16682 1
. ALA 144 144 16682 1
. MET 145 145 16682 1
. LEU 146 146 16682 1
. PRO 147 147 16682 1
. ARG 148 148 16682 1
. GLN 149 149 16682 1
. GLU 150 150 16682 1
. GLU 151 151 16682 1
. CYS 152 152 16682 1
. THR 153 153 16682 1
. VAL 154 154 16682 1
. ASP 155 155 16682 1
. GLU 156 156 16682 1
. VAL 157 157 16682 1
stop_
save_
save_EB4
_Entity.Sf_category entity
_Entity.Sf_framecode EB4
_Entity.Entry_ID 16682
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name EB4
_Entity.Type non-polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type .
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code .
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer .
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID EB4
_Entity.Nonpolymer_comp_label $chem_comp_EB4
_Entity.Number_of_monomers .
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state .
_Entity.Src_method .
_Entity.Parent_entity_ID 2
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . EB4 . 16682 2
stop_
save_
save_GA
_Entity.Sf_category entity
_Entity.Sf_framecode GA
_Entity.Entry_ID 16682
_Entity.ID 3
_Entity.BMRB_code .
_Entity.Name GA
_Entity.Type non-polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type .
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code .
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer .
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID GA
_Entity.Nonpolymer_comp_label $chem_comp_GA
_Entity.Number_of_monomers .
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state .
_Entity.Src_method .
_Entity.Parent_entity_ID 3
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . GA . 16682 3
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 16682
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $Q83 . 9091 organism . 'Coturnix coturnix' 'common quail' . . Eukaryota Metazoa Coturnix coturnix . . . . . . . . . . . . . . . . . . . . . 16682 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 16682
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $Q83 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET3d . . . . . . 16682 1
stop_
save_
#################################
# Polymer residues and ligands #
#################################
save_chem_comp_EB4
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_EB4
_Chem_comp.Entry_ID 16682
_Chem_comp.ID EB4
_Chem_comp.Provenance .
_Chem_comp.Name N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)
_Chem_comp.Type non-polymer
_Chem_comp.BMRB_code .
_Chem_comp.PDB_code EB4
_Chem_comp.Ambiguous_flag no
_Chem_comp.Initial_date 2008-04-08
_Chem_comp.Modified_date 2011-06-04
_Chem_comp.Release_status REL
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code EB4
_Chem_comp.Number_atoms_all .
_Chem_comp.Number_atoms_nh .
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code .
_Chem_comp.Mon_nstd_flag .
_Chem_comp.Mon_nstd_class .
_Chem_comp.Mon_nstd_details .
_Chem_comp.Mon_nstd_parent .
_Chem_comp.Mon_nstd_parent_comp_ID .
_Chem_comp.Std_deriv_one_letter_code .
_Chem_comp.Std_deriv_three_letter_code .
_Chem_comp.Std_deriv_BMRB_code .
_Chem_comp.Std_deriv_PDB_code .
_Chem_comp.Std_deriv_chem_comp_name .
_Chem_comp.Synonyms Enterobactin
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic .
_Chem_comp.Aromatic yes
_Chem_comp.Formula 'C30 H27 N3 O15'
_Chem_comp.Formula_weight 669.546
_Chem_comp.Formula_mono_iso_wt_nat .
_Chem_comp.Formula_mono_iso_wt_13C .
_Chem_comp.Formula_mono_iso_wt_15N .
_Chem_comp.Formula_mono_iso_wt_13C_15N .
_Chem_comp.Image_file_name .
_Chem_comp.Image_file_format .
_Chem_comp.Topo_file_name .
_Chem_comp.Topo_file_format .
_Chem_comp.Struct_file_name .
_Chem_comp.Struct_file_format .
_Chem_comp.Stereochem_param_file_name .
_Chem_comp.Stereochem_param_file_format .
_Chem_comp.Model_details .
_Chem_comp.Model_erf .
_Chem_comp.Model_source .
_Chem_comp.Model_coordinates_details .
_Chem_comp.Model_coordinates_missing_flag no
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag no
_Chem_comp.Model_coordinates_db_code 3CMP
_Chem_comp.Processing_site RCSB
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Fri Dec 2 13:09:42 2011
;
_Chem_comp.DB_query_date .
_Chem_comp.DB_last_query_revised_last_date .
loop_
_Chem_comp_descriptor.Descriptor
_Chem_comp_descriptor.Type
_Chem_comp_descriptor.Program
_Chem_comp_descriptor.Program_version
_Chem_comp_descriptor.Entry_ID
_Chem_comp_descriptor.Comp_ID
c1cc(c(c(c1)O)O)C(=O)NC2COC(=O)C(COC(=O)C(COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4cccc(c4O)O SMILES 'OpenEye OEToolkits' 1.5.0 16682 EB4
c1cc(c(c(c1)O)O)C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4cccc(c4O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16682 EB4
InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1 InChI InChI 1.03 16682 EB4
Oc1cccc(C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c3cccc(O)c3O)NC(=O)c4cccc(O)c4O)c1O SMILES_CANONICAL CACTVS 3.341 16682 EB4
Oc1cccc(C(=O)N[CH]2COC(=O)[CH](COC(=O)[CH](COC2=O)NC(=O)c3cccc(O)c3O)NC(=O)c4cccc(O)c4O)c1O SMILES CACTVS 3.341 16682 EB4
O=C2OCC(C(=O)OCC(C(=O)OCC2NC(=O)c1cccc(O)c1O)NC(=O)c3cccc(O)c3O)NC(=O)c4cccc(O)c4O SMILES ACDLabs 10.04 16682 EB4
SERBHKJMVBATSJ-BZSNNMDCSA-N InChIKey InChI 1.03 16682 EB4
stop_
loop_
_Chem_comp_identifier.Identifier
_Chem_comp_identifier.Type
_Chem_comp_identifier.Program
_Chem_comp_identifier.Program_version
_Chem_comp_identifier.Entry_ID
_Chem_comp_identifier.Comp_ID
N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxyphenyl)carbonylamino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxy-benzamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16682 EB4
N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) 'SYSTEMATIC NAME' ACDLabs 10.04 16682 EB4
stop_
loop_
_Chem_comp_atom.Atom_ID
_Chem_comp_atom.BMRB_code
_Chem_comp_atom.PDB_atom_ID
_Chem_comp_atom.Alt_atom_ID
_Chem_comp_atom.Auth_atom_ID
_Chem_comp_atom.Type_symbol
_Chem_comp_atom.Isotope_number
_Chem_comp_atom.Chirality
_Chem_comp_atom.Stereo_config
_Chem_comp_atom.Charge
_Chem_comp_atom.Partial_charge
_Chem_comp_atom.Oxidation_number
_Chem_comp_atom.Unpaired_electron_number
_Chem_comp_atom.Align
_Chem_comp_atom.Aromatic_flag
_Chem_comp_atom.Leaving_atom_flag
_Chem_comp_atom.Substruct_code
_Chem_comp_atom.Ionizable
_Chem_comp_atom.Drawing_2D_coord_x
_Chem_comp_atom.Drawing_2D_coord_y
_Chem_comp_atom.Model_Cartn_x
_Chem_comp_atom.Model_Cartn_x_esd
_Chem_comp_atom.Model_Cartn_y
_Chem_comp_atom.Model_Cartn_y_esd
_Chem_comp_atom.Model_Cartn_z
_Chem_comp_atom.Model_Cartn_z_esd
_Chem_comp_atom.Model_Cartn_x_ideal
_Chem_comp_atom.Model_Cartn_y_ideal
_Chem_comp_atom.Model_Cartn_z_ideal
_Chem_comp_atom.PDBX_ordinal
_Chem_comp_atom.Details
_Chem_comp_atom.Entry_ID
_Chem_comp_atom.Comp_ID
O6 . O6 . . O . . N 0 . . . . no no . . . . 30.100 . 75.161 . 64.056 . 3.664 -4.780 3.535 1 . 16682 EB4
O4 . O4 . . O . . N 0 . . . . no no . . . . 26.728 . 77.394 . 62.867 . -5.885 -0.658 3.769 2 . 16682 EB4
O5 . O5 . . O . . N 0 . . . . no no . . . . 26.452 . 75.737 . 65.629 . 2.529 5.436 3.577 3 . 16682 EB4
N1 . N1 . . N . . N 0 . . . . no no . . . . 29.185 . 81.559 . 64.787 . -2.549 1.052 -1.007 4 . 16682 EB4
C5 . C5 . . C . . N 0 . . . . yes no . . . . 25.683 . 76.442 . 66.506 . 2.387 4.234 2.956 5 . 16682 EB4
C4 . C4 . . C . . N 0 . . . . yes no . . . . 26.835 . 78.712 . 62.547 . -4.794 -0.158 3.129 6 . 16682 EB4
C1 . C1 . . C . . N 0 . . . . yes no . . . . 27.830 . 79.476 . 63.131 . -4.784 -0.064 1.740 7 . 16682 EB4
C2 . C2 . . C . . N 0 . . . . yes no . . . . 25.885 . 77.805 . 66.665 . 2.407 4.162 1.566 8 . 16682 EB4
C6 . C6 . . C . . N 0 . . . . yes no . . . . 31.022 . 75.479 . 65.007 . 2.659 -4.078 2.945 9 . 16682 EB4
C8 . C8 . . C . . N 0 . . . . yes no . . . . 24.693 . 75.794 . 67.240 . 2.228 3.081 3.707 10 . 16682 EB4
N2 . N2 . . N . . N 0 . . . . no no . . . . 26.488 . 80.476 . 68.149 . 2.140 1.635 -1.142 11 . 16682 EB4
C9 . C9 . . C . . N 0 . . . . yes no . . . . 32.293 . 74.914 . 64.964 . 1.784 -3.337 3.720 12 . 16682 EB4
C10 . C10 . . C . . N 0 . . . . yes no . . . . 26.070 . 80.636 . 61.320 . -2.580 0.773 3.213 13 . 16682 EB4
O3 . O3 . . O . . N 0 . . . . no no . . . . 29.449 . 76.918 . 66.052 . 3.374 -4.820 0.796 14 . 16682 EB4
N3 . N3 . . N . . N 0 . . . . no no . . . . 31.321 . 78.969 . 67.840 . 0.316 -2.690 -1.079 15 . 16682 EB4
C16 . C16 . . C . . N 0 . . . . yes no . . . . 27.950 . 80.825 . 62.822 . -3.658 0.451 1.088 16 . 16682 EB4
C7 . C7 . . C . . N 0 . . . . yes no . . . . 25.952 . 79.287 . 61.640 . -3.695 0.263 3.858 17 . 16682 EB4
C3 . C3 . . C . . N 0 . . . . yes no . . . . 30.697 . 76.368 . 66.020 . 2.515 -4.099 1.561 18 . 16682 EB4
C11 . C11 . . C . . N 0 . . . . yes no . . . . 23.909 . 76.514 . 68.134 . 2.083 1.854 3.082 19 . 16682 EB4
O1 . O1 . . O . . N 0 . . . . no no . . . . 28.680 . 78.884 . 64.018 . -5.862 -0.471 1.022 20 . 16682 EB4
O2 . O2 . . O . . N 0 . . . . no no . . . . 26.856 . 78.426 . 65.940 . 2.568 5.288 0.827 21 . 16682 EB4
C12 . C12 . . C . . N 0 . . . . yes no . . . . 33.233 . 75.242 . 65.938 . 0.758 -2.620 3.127 22 . 16682 EB4
C15 . C15 . . C . . N 0 . . . . yes no . . . . 32.904 . 76.135 . 66.956 . 0.599 -2.636 1.759 23 . 16682 EB4
C14 . C14 . . C . . N 0 . . . . yes no . . . . 24.112 . 77.882 . 68.292 . 2.096 1.767 1.707 24 . 16682 EB4
C13 . C13 . . C . . N 0 . . . . yes no . . . . 27.071 . 81.403 . 61.911 . -2.554 0.867 1.839 25 . 16682 EB4
O7 . O7 . . O . . N 0 . . . . no no . . . . 29.732 . 82.353 . 62.755 . -4.597 0.193 -1.033 26 . 16682 EB4
C19 . C19 . . C . . N 0 . . . . no no . . . . 29.034 . 81.644 . 63.462 . -3.635 0.555 -0.383 27 . 16682 EB4
C22 . C22 . . C . . S 0 . . . . no no . . . . 30.211 . 82.269 . 65.547 . -2.527 1.156 -2.469 28 . 16682 EB4
C25 . C25 . . C . . N 0 . . . . no no . . . . 31.293 . 81.300 . 65.960 . -2.086 -0.159 -3.059 29 . 16682 EB4
O10 . O10 . . O . . N 0 . . . . no no . . . . 31.542 . 80.337 . 65.248 . -2.070 -0.308 -4.257 30 . 16682 EB4
O15 . O15 . . O . . N 0 . . . . no no . . . . 32.092 . 81.466 . 67.178 . -1.712 -1.165 -2.252 31 . 16682 EB4
C30 . C30 . . C . . N 0 . . . . no no . . . . 31.683 . 81.259 . 68.544 . -1.304 -2.404 -2.889 32 . 16682 EB4
C24 . C24 . . C . . S 0 . . . . no no . . . . 30.919 . 79.960 . 68.835 . 0.154 -2.704 -2.535 33 . 16682 EB4
C21 . C21 . . C . . N 0 . . . . no no . . . . 31.243 . 77.659 . 68.077 . 1.315 -3.389 -0.505 34 . 16682 EB4
C18 . C18 . . C . . N 0 . . . . yes no . . . . 31.634 . 76.699 . 66.992 . 1.479 -3.374 0.961 35 . 16682 EB4
O9 . O9 . . O . . N 0 . . . . no no . . . . 30.846 . 77.208 . 69.141 . 2.082 -4.032 -1.196 36 . 16682 EB4
C27 . C27 . . C . . N 0 . . . . no no . . . . 29.415 . 80.118 . 68.786 . 1.046 -1.657 -3.150 37 . 16682 EB4
O12 . O12 . . O . . N 0 . . . . no no . . . . 28.792 . 79.505 . 67.935 . 1.110 -1.548 -4.352 38 . 16682 EB4
C28 . C28 . . C . . N 0 . . . . no no . . . . 29.575 . 82.856 . 66.800 . -1.550 2.256 -2.887 39 . 16682 EB4
O13 . O13 . . O . . N 0 . . . . no no . . . . 28.248 . 83.350 . 66.654 . -0.249 1.998 -2.297 40 . 16682 EB4
C26 . C26 . . C . . N 0 . . . . no no . . . . 27.100 . 82.498 . 66.940 . 0.778 1.819 -3.143 41 . 16682 EB4
O11 . O11 . . O . . N 0 . . . . no no . . . . 26.369 . 82.265 . 65.991 . 0.596 1.877 -4.336 42 . 16682 EB4
C23 . C23 . . C . . S 0 . . . . no no . . . . 26.767 . 81.906 . 68.302 . 2.159 1.546 -2.604 43 . 16682 EB4
C29 . C29 . . C . . N 0 . . . . no no . . . . 27.848 . 82.093 . 69.394 . 2.602 0.143 -3.024 44 . 16682 EB4
O14 . O14 . . O . . N 0 . . . . no no . . . . 28.658 . 80.945 . 69.728 . 1.769 -0.845 -2.363 45 . 16682 EB4
C20 . C20 . . C . . N 0 . . . . no no . . . . 25.312 . 80.005 . 67.726 . 2.281 2.831 -0.538 46 . 16682 EB4
O8 . O8 . . O . . N 0 . . . . no no . . . . 24.377 . 80.738 . 67.447 . 2.424 3.837 -1.206 47 . 16682 EB4
C17 . C17 . . C . . N 0 . . . . yes no . . . . 25.106 . 78.526 . 67.563 . 2.261 2.921 0.935 48 . 16682 EB4
HO6 . HO6 . . H . . N 0 . . . . no no . . . . 29.242 . 75.087 . 64.458 . 4.485 -4.280 3.639 49 . 16682 EB4
HO4 . HO4 . . H . . N 0 . . . . no no . . . . 26.703 . 76.876 . 62.071 . -5.858 -1.615 3.902 50 . 16682 EB4
HO5 . HO5 . . H . . N 0 . . . . no no . . . . 25.958 . 75.573 . 64.835 . 1.694 5.896 3.738 51 . 16682 EB4
HN1 . HN1 . . H . . N 0 . . . . no no . . . . 28.554 . 80.970 . 65.292 . -1.782 1.341 -0.489 52 . 16682 EB4
H8 . H8 . . H . . N 0 . . . . no no . . . . 24.534 . 74.733 . 67.115 . 2.217 3.140 4.785 53 . 16682 EB4
HN2 . HN2 . . H . . N 0 . . . . no no . . . . 27.211 . 79.822 . 68.372 . 2.025 0.833 -0.609 54 . 16682 EB4
H9 . H9 . . H . . N 0 . . . . no no . . . . 32.550 . 74.222 . 64.176 . 1.901 -3.319 4.794 55 . 16682 EB4
H10 . H10 . . H . . N 0 . . . . no no . . . . 25.387 . 81.087 . 60.615 . -1.728 1.099 3.790 56 . 16682 EB4
HO3 . HO3 . . H . . N 0 . . . . no no . . . . 29.182 . 77.046 . 66.955 . 3.093 -5.732 0.641 57 . 16682 EB4
HN3 . HN3 . . H . . N 0 . . . . no no . . . . 31.665 . 79.282 . 66.955 . -0.296 -2.177 -0.528 58 . 16682 EB4
H7 . H7 . . H . . N 0 . . . . no no . . . . 25.177 . 78.688 . 61.185 . -3.707 0.193 4.936 59 . 16682 EB4
H11 . H11 . . H . . N 0 . . . . no no . . . . 23.143 . 76.012 . 68.706 . 1.961 0.960 3.675 60 . 16682 EB4
HO1 . HO1 . . H . . N 0 . . . . no no . . . . 29.524 . 78.746 . 63.605 . -6.516 0.225 0.866 61 . 16682 EB4
HO2 . HO2 . . H . . N 0 . . . . no no . . . . 26.546 . 78.571 . 65.054 . 3.491 5.502 0.632 62 . 16682 EB4
H12 . H12 . . H . . N 0 . . . . no no . . . . 34.219 . 74.803 . 65.904 . 0.080 -2.045 3.740 63 . 16682 EB4
H15 . H15 . . H . . N 0 . . . . no no . . . . 33.632 . 76.388 . 67.713 . -0.203 -2.076 1.302 64 . 16682 EB4
H14 . H14 . . H . . N 0 . . . . no no . . . . 23.498 . 78.443 . 68.981 . 1.983 0.807 1.225 65 . 16682 EB4
H13 . H13 . . H . . N 0 . . . . no no . . . . 27.165 . 82.450 . 61.662 . -1.682 1.265 1.341 66 . 16682 EB4
H22 . H22 . . H . . N 0 . . . . no no . . . . 30.645 . 83.067 . 64.927 . -3.526 1.400 -2.831 67 . 16682 EB4
H30 . H30 . . H . . N 0 . . . . no no . . . . 32.595 . 81.246 . 69.159 . -1.938 -3.218 -2.538 68 . 16682 EB4
H30A . H30A . . H . . N 0 . . . . no no . . . . 30.981 . 82.075 . 68.771 . -1.403 -2.306 -3.970 69 . 16682 EB4
H24 . H24 . . H . . N 0 . . . . no no . . . . 31.170 . 79.651 . 69.860 . 0.427 -3.687 -2.921 70 . 16682 EB4
H28 . H28 . . H . . N 0 . . . . no no . . . . 29.547 . 82.059 . 67.558 . -1.461 2.269 -3.973 71 . 16682 EB4
H28A . H28A . . H . . N 0 . . . . no no . . . . 30.191 . 83.726 . 67.070 . -1.921 3.221 -2.542 72 . 16682 EB4
H23 . H23 . . H . . N 0 . . . . no no . . . . 25.891 . 82.468 . 68.656 . 2.857 2.283 -3.004 73 . 16682 EB4
H29 . H29 . . H . . N 0 . . . . no no . . . . 28.533 . 82.875 . 69.036 . 2.503 0.039 -4.104 74 . 16682 EB4
H29A . H29A . . H . . N 0 . . . . no no . . . . 27.290 . 82.328 . 70.313 . 3.643 -0.009 -2.739 75 . 16682 EB4
stop_
loop_
_Chem_comp_bond.ID
_Chem_comp_bond.Type
_Chem_comp_bond.Value_order
_Chem_comp_bond.Atom_ID_1
_Chem_comp_bond.Atom_ID_2
_Chem_comp_bond.Aromatic_flag
_Chem_comp_bond.Stereo_config
_Chem_comp_bond.Ordinal
_Chem_comp_bond.Details
_Chem_comp_bond.Entry_ID
_Chem_comp_bond.Comp_ID
1 . SING O6 C6 no N 1 . 16682 EB4
2 . SING O6 HO6 no N 2 . 16682 EB4
3 . SING O4 HO4 no N 3 . 16682 EB4
4 . SING O5 C5 no N 4 . 16682 EB4
5 . SING O5 HO5 no N 5 . 16682 EB4
6 . SING N1 C22 no N 6 . 16682 EB4
7 . SING N1 HN1 no N 7 . 16682 EB4
8 . DOUB C5 C2 yes N 8 . 16682 EB4
9 . SING C5 C8 yes N 9 . 16682 EB4
10 . SING C4 O4 no N 10 . 16682 EB4
11 . SING C4 C1 yes N 11 . 16682 EB4
12 . SING C1 O1 no N 12 . 16682 EB4
13 . SING C2 C17 yes N 13 . 16682 EB4
14 . SING C6 C3 yes N 14 . 16682 EB4
15 . DOUB C8 C11 yes N 15 . 16682 EB4
16 . SING C8 H8 no N 16 . 16682 EB4
17 . SING N2 C23 no N 17 . 16682 EB4
18 . SING N2 HN2 no N 18 . 16682 EB4
19 . DOUB C9 C6 yes N 19 . 16682 EB4
20 . SING C9 C12 yes N 20 . 16682 EB4
21 . SING C9 H9 no N 21 . 16682 EB4
22 . SING C10 C7 yes N 22 . 16682 EB4
23 . DOUB C10 C13 yes N 23 . 16682 EB4
24 . SING C10 H10 no N 24 . 16682 EB4
25 . SING O3 HO3 no N 25 . 16682 EB4
26 . SING N3 C21 no N 26 . 16682 EB4
27 . SING N3 C24 no N 27 . 16682 EB4
28 . SING N3 HN3 no N 28 . 16682 EB4
29 . DOUB C16 C1 yes N 29 . 16682 EB4
30 . SING C16 C19 no N 30 . 16682 EB4
31 . DOUB C7 C4 yes N 31 . 16682 EB4
32 . SING C7 H7 no N 32 . 16682 EB4
33 . SING C3 O3 no N 33 . 16682 EB4
34 . DOUB C3 C18 yes N 34 . 16682 EB4
35 . SING C11 C14 yes N 35 . 16682 EB4
36 . SING C11 H11 no N 36 . 16682 EB4
37 . SING O1 HO1 no N 37 . 16682 EB4
38 . SING O2 C2 no N 38 . 16682 EB4
39 . SING O2 HO2 no N 39 . 16682 EB4
40 . DOUB C12 C15 yes N 40 . 16682 EB4
41 . SING C12 H12 no N 41 . 16682 EB4
42 . SING C15 C18 yes N 42 . 16682 EB4
43 . SING C15 H15 no N 43 . 16682 EB4
44 . SING C14 H14 no N 44 . 16682 EB4
45 . SING C13 C16 yes N 45 . 16682 EB4
46 . SING C13 H13 no N 46 . 16682 EB4
47 . DOUB O7 C19 no N 47 . 16682 EB4
48 . SING C19 N1 no N 48 . 16682 EB4
49 . SING C22 C25 no N 49 . 16682 EB4
50 . SING C22 C28 no N 50 . 16682 EB4
51 . SING C22 H22 no N 51 . 16682 EB4
52 . SING C25 O15 no N 52 . 16682 EB4
53 . DOUB O10 C25 no N 53 . 16682 EB4
54 . SING O15 C30 no N 54 . 16682 EB4
55 . SING C30 C24 no N 55 . 16682 EB4
56 . SING C30 H30 no N 56 . 16682 EB4
57 . SING C30 H30A no N 57 . 16682 EB4
58 . SING C24 H24 no N 58 . 16682 EB4
59 . DOUB C21 O9 no N 59 . 16682 EB4
60 . SING C18 C21 no N 60 . 16682 EB4
61 . SING C27 C24 no N 61 . 16682 EB4
62 . SING C27 O14 no N 62 . 16682 EB4
63 . DOUB O12 C27 no N 63 . 16682 EB4
64 . SING C28 H28 no N 64 . 16682 EB4
65 . SING C28 H28A no N 65 . 16682 EB4
66 . SING O13 C28 no N 66 . 16682 EB4
67 . SING O13 C26 no N 67 . 16682 EB4
68 . SING C26 C23 no N 68 . 16682 EB4
69 . DOUB O11 C26 no N 69 . 16682 EB4
70 . SING C23 C29 no N 70 . 16682 EB4
71 . SING C23 H23 no N 71 . 16682 EB4
72 . SING C29 O14 no N 72 . 16682 EB4
73 . SING C29 H29 no N 73 . 16682 EB4
74 . SING C29 H29A no N 74 . 16682 EB4
75 . SING C20 N2 no N 75 . 16682 EB4
76 . DOUB O8 C20 no N 76 . 16682 EB4
77 . DOUB C17 C14 yes N 77 . 16682 EB4
78 . SING C17 C20 no N 78 . 16682 EB4
stop_
save_
save_chem_comp_GA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_GA
_Chem_comp.Entry_ID 16682
_Chem_comp.ID GA
_Chem_comp.Provenance .
_Chem_comp.Name 'GALLIUM (III) ION'
_Chem_comp.Type non-polymer
_Chem_comp.BMRB_code .
_Chem_comp.PDB_code GA
_Chem_comp.Ambiguous_flag no
_Chem_comp.Initial_date 1999-07-08
_Chem_comp.Modified_date 2011-06-04
_Chem_comp.Release_status REL
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code GA
_Chem_comp.Number_atoms_all .
_Chem_comp.Number_atoms_nh .
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code .
_Chem_comp.Mon_nstd_flag .
_Chem_comp.Mon_nstd_class .
_Chem_comp.Mon_nstd_details .
_Chem_comp.Mon_nstd_parent .
_Chem_comp.Mon_nstd_parent_comp_ID .
_Chem_comp.Std_deriv_one_letter_code .
_Chem_comp.Std_deriv_three_letter_code .
_Chem_comp.Std_deriv_BMRB_code .
_Chem_comp.Std_deriv_PDB_code .
_Chem_comp.Std_deriv_chem_comp_name .
_Chem_comp.Synonyms .
_Chem_comp.Formal_charge 3
_Chem_comp.Paramagnetic .
_Chem_comp.Aromatic no
_Chem_comp.Formula Ga
_Chem_comp.Formula_weight 69.723
_Chem_comp.Formula_mono_iso_wt_nat .
_Chem_comp.Formula_mono_iso_wt_13C .
_Chem_comp.Formula_mono_iso_wt_15N .
_Chem_comp.Formula_mono_iso_wt_13C_15N .
_Chem_comp.Image_file_name .
_Chem_comp.Image_file_format .
_Chem_comp.Topo_file_name .
_Chem_comp.Topo_file_format .
_Chem_comp.Struct_file_name .
_Chem_comp.Struct_file_format .
_Chem_comp.Stereochem_param_file_name .
_Chem_comp.Stereochem_param_file_format .
_Chem_comp.Model_details .
_Chem_comp.Model_erf .
_Chem_comp.Model_source .
_Chem_comp.Model_coordinates_details .
_Chem_comp.Model_coordinates_missing_flag no
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag no
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site RCSB
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Fri Dec 2 13:10:48 2011
;
_Chem_comp.DB_query_date .
_Chem_comp.DB_last_query_revised_last_date .
loop_
_Chem_comp_descriptor.Descriptor
_Chem_comp_descriptor.Type
_Chem_comp_descriptor.Program
_Chem_comp_descriptor.Program_version
_Chem_comp_descriptor.Entry_ID
_Chem_comp_descriptor.Comp_ID
CKHJYUSOUQDYEN-UHFFFAOYSA-N InChIKey InChI 1.03 16682 GA
[Ga+3] SMILES ACDLabs 10.04 16682 GA
[Ga+3] SMILES CACTVS 3.341 16682 GA
[Ga+3] SMILES 'OpenEye OEToolkits' 1.5.0 16682 GA
[Ga+3] SMILES_CANONICAL CACTVS 3.341 16682 GA
[Ga+3] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16682 GA
InChI=1S/Ga/q+3 InChI InChI 1.03 16682 GA
stop_
loop_
_Chem_comp_identifier.Identifier
_Chem_comp_identifier.Type
_Chem_comp_identifier.Program
_Chem_comp_identifier.Program_version
_Chem_comp_identifier.Entry_ID
_Chem_comp_identifier.Comp_ID
gallium 'SYSTEMATIC NAME' ACDLabs 10.04 16682 GA
'gallium(+3) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16682 GA
stop_
loop_
_Chem_comp_atom.Atom_ID
_Chem_comp_atom.BMRB_code
_Chem_comp_atom.PDB_atom_ID
_Chem_comp_atom.Alt_atom_ID
_Chem_comp_atom.Auth_atom_ID
_Chem_comp_atom.Type_symbol
_Chem_comp_atom.Isotope_number
_Chem_comp_atom.Chirality
_Chem_comp_atom.Stereo_config
_Chem_comp_atom.Charge
_Chem_comp_atom.Partial_charge
_Chem_comp_atom.Oxidation_number
_Chem_comp_atom.Unpaired_electron_number
_Chem_comp_atom.Align
_Chem_comp_atom.Aromatic_flag
_Chem_comp_atom.Leaving_atom_flag
_Chem_comp_atom.Substruct_code
_Chem_comp_atom.Ionizable
_Chem_comp_atom.Drawing_2D_coord_x
_Chem_comp_atom.Drawing_2D_coord_y
_Chem_comp_atom.Model_Cartn_x
_Chem_comp_atom.Model_Cartn_x_esd
_Chem_comp_atom.Model_Cartn_y
_Chem_comp_atom.Model_Cartn_y_esd
_Chem_comp_atom.Model_Cartn_z
_Chem_comp_atom.Model_Cartn_z_esd
_Chem_comp_atom.Model_Cartn_x_ideal
_Chem_comp_atom.Model_Cartn_y_ideal
_Chem_comp_atom.Model_Cartn_z_ideal
_Chem_comp_atom.PDBX_ordinal
_Chem_comp_atom.Details
_Chem_comp_atom.Entry_ID
_Chem_comp_atom.Comp_ID
GA . GA . . GA . . N 3 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 16682 GA
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 16682
_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 Q83 '[U-95% 13C; U-95% 15N]' . . 1 $Q83 . . 1 . . mM . . . . 16682 1
2 Enterobactin 'natural abundance' . . 2 $EB4 . . 1 . . mM . . . . 16682 1
3 Gallium 'natural abundance' . . 3 $GA . . 1 . . mM . . . . 16682 1
4 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 16682 1
5 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16682 1
6 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16682 1
7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16682 1
8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16682 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 16682
_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' 70 . mM 16682 1
pH 6.5 . pH 16682 1
pressure 1 . atm 16682 1
temperature 298 . K 16682 1
stop_
save_
############################
# Computer software used #
############################
save_X-PLOR_NIH
_Software.Sf_category software
_Software.Sf_framecode X-PLOR_NIH
_Software.Entry_ID 16682
_Software.ID 1
_Software.Name 'X-PLOR NIH'
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Schwieters, Kuszewski, Tjandra and Clore' . . 16682 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 16682 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 16682
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 16682
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_3
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_3
_NMR_spectrometer.Entry_ID 16682
_NMR_spectrometer.ID 3
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
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 16682
_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
1 500 Varian INOVA . 500 . . . 16682 1
2 600 Varian INOVA . 600 . . . 16682 1
3 800 Varian INOVA . 800 . . . 16682 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 16682
_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 . . . . . . . . . . . . . . . . . . . . . 16682 1
2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16682 1
3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16682 1
4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16682 1
5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16682 1
6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16682 1
7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16682 1
8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16682 1
9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16682 1
10 IPAP no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16682 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 16682
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 TMP 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 16682 1
H 1 TMP 'methyl protons' . . . . ppm 0 internal direct 1 . . . 1 $entry_citation . . 1 $entry_citation 16682 1
N 15 TMP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16682 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 16682
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
3 '3D HNCO' . . . 16682 1
5 '3D HNCACB' . . . 16682 1
7 '3D HCCH-TOCSY' . . . 16682 1
8 '3D 1H-15N NOESY' . . . 16682 1
9 '3D 1H-13C NOESY' . . . 16682 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 10 10 ALA H H 1 7.44 0.02 . 1 . . . . 10 ALA H . 16682 1
2 . 1 1 10 10 ALA HA H 1 4.07 0.02 . 1 . . . . 10 ALA HA . 16682 1
3 . 1 1 10 10 ALA HB1 H 1 1.69 0.02 . 1 . . . . 10 ALA HB . 16682 1
4 . 1 1 10 10 ALA HB2 H 1 1.69 0.02 . 1 . . . . 10 ALA HB . 16682 1
5 . 1 1 10 10 ALA HB3 H 1 1.69 0.02 . 1 . . . . 10 ALA HB . 16682 1
6 . 1 1 10 10 ALA C C 13 177.5 0.3 . 1 . . . . 10 ALA C . 16682 1
7 . 1 1 10 10 ALA CA C 13 53.3 0.3 . 1 . . . . 10 ALA CA . 16682 1
8 . 1 1 10 10 ALA CB C 13 21.2 0.3 . 1 . . . . 10 ALA CB . 16682 1
9 . 1 1 10 10 ALA N N 15 121.1 0.3 . 1 . . . . 10 ALA N . 16682 1
10 . 1 1 11 11 GLY H H 1 9.54 0.02 . 1 . . . . 11 GLY H . 16682 1
11 . 1 1 11 11 GLY C C 13 173.7 0.3 . 1 . . . . 11 GLY C . 16682 1
12 . 1 1 11 11 GLY CA C 13 44.8 0.3 . 1 . . . . 11 GLY CA . 16682 1
13 . 1 1 11 11 GLY N N 15 108.5 0.3 . 1 . . . . 11 GLY N . 16682 1
14 . 1 1 12 12 LYS H H 1 8.65 0.02 . 1 . . . . 12 LYS H . 16682 1
15 . 1 1 12 12 LYS HA H 1 4.45 0.02 . 1 . . . . 12 LYS HA . 16682 1
16 . 1 1 12 12 LYS HB2 H 1 1.52 0.02 . 1 . . . . 12 LYS HB2 . 16682 1
17 . 1 1 12 12 LYS C C 13 175.9 0.3 . 1 . . . . 12 LYS C . 16682 1
18 . 1 1 12 12 LYS CA C 13 58.9 0.3 . 1 . . . . 12 LYS CA . 16682 1
19 . 1 1 12 12 LYS CB C 13 34.7 0.3 . 1 . . . . 12 LYS CB . 16682 1
20 . 1 1 12 12 LYS CD C 13 30.5 0.3 . 1 . . . . 12 LYS CD . 16682 1
21 . 1 1 12 12 LYS CE C 13 42.7 0.3 . 1 . . . . 12 LYS CE . 16682 1
22 . 1 1 12 12 LYS CG C 13 26.4 0.3 . 1 . . . . 12 LYS CG . 16682 1
23 . 1 1 12 12 LYS N N 15 121.0 0.3 . 1 . . . . 12 LYS N . 16682 1
24 . 1 1 13 13 TRP H H 1 9.22 0.02 . 1 . . . . 13 TRP H . 16682 1
25 . 1 1 13 13 TRP HA H 1 4.70 0.02 . 1 . . . . 13 TRP HA . 16682 1
26 . 1 1 13 13 TRP HB2 H 1 3.35 0.02 . 2 . . . . 13 TRP HB2 . 16682 1
27 . 1 1 13 13 TRP HB3 H 1 2.82 0.02 . 2 . . . . 13 TRP HB3 . 16682 1
28 . 1 1 13 13 TRP HD1 H 1 7.12 0.02 . 1 . . . . 13 TRP HD1 . 16682 1
29 . 1 1 13 13 TRP HE1 H 1 10.49 0.02 . 1 . . . . 13 TRP HE1 . 16682 1
30 . 1 1 13 13 TRP HH2 H 1 6.51 0.02 . 1 . . . . 13 TRP HH2 . 16682 1
31 . 1 1 13 13 TRP HZ2 H 1 7.17 0.02 . 1 . . . . 13 TRP HZ2 . 16682 1
32 . 1 1 13 13 TRP C C 13 173.3 0.3 . 1 . . . . 13 TRP C . 16682 1
33 . 1 1 13 13 TRP CA C 13 57.5 0.3 . 1 . . . . 13 TRP CA . 16682 1
34 . 1 1 13 13 TRP CB C 13 35.4 0.3 . 1 . . . . 13 TRP CB . 16682 1
35 . 1 1 13 13 TRP CD1 C 13 127.4 0.3 . 1 . . . . 13 TRP CD1 . 16682 1
36 . 1 1 13 13 TRP CH2 C 13 122.5 0.3 . 1 . . . . 13 TRP CH2 . 16682 1
37 . 1 1 13 13 TRP CZ2 C 13 114.5 0.3 . 1 . . . . 13 TRP CZ2 . 16682 1
38 . 1 1 13 13 TRP N N 15 126.2 0.3 . 1 . . . . 13 TRP N . 16682 1
39 . 1 1 13 13 TRP NE1 N 15 130.2 0.3 . 1 . . . . 13 TRP NE1 . 16682 1
40 . 1 1 14 14 TYR H H 1 9.60 0.02 . 1 . . . . 14 TYR H . 16682 1
41 . 1 1 14 14 TYR HA H 1 5.09 0.02 . 1 . . . . 14 TYR HA . 16682 1
42 . 1 1 14 14 TYR HB2 H 1 2.95 0.02 . 2 . . . . 14 TYR HB2 . 16682 1
43 . 1 1 14 14 TYR HB3 H 1 2.81 0.02 . 2 . . . . 14 TYR HB3 . 16682 1
44 . 1 1 14 14 TYR C C 13 175.4 0.3 . 1 . . . . 14 TYR C . 16682 1
45 . 1 1 14 14 TYR CA C 13 59.2 0.3 . 1 . . . . 14 TYR CA . 16682 1
46 . 1 1 14 14 TYR CB C 13 41.5 0.3 . 1 . . . . 14 TYR CB . 16682 1
47 . 1 1 14 14 TYR CD1 C 13 133.5 0.3 . 1 . . . . 14 TYR CD1 . 16682 1
48 . 1 1 14 14 TYR CE1 C 13 117.8 0.3 . 1 . . . . 14 TYR CE1 . 16682 1
49 . 1 1 14 14 TYR N N 15 119.4 0.3 . 1 . . . . 14 TYR N . 16682 1
50 . 1 1 15 15 VAL HG21 H 1 0.52 0.02 . 1 . . . . 15 VAL HG2 . 16682 1
51 . 1 1 15 15 VAL HG22 H 1 0.52 0.02 . 1 . . . . 15 VAL HG2 . 16682 1
52 . 1 1 15 15 VAL HG23 H 1 0.52 0.02 . 1 . . . . 15 VAL HG2 . 16682 1
53 . 1 1 15 15 VAL CG2 C 13 19.5 0.3 . 1 . . . . 15 VAL CG2 . 16682 1
54 . 1 1 16 16 VAL H H 1 8.49 0.02 . 1 . . . . 16 VAL H . 16682 1
55 . 1 1 16 16 VAL HA H 1 4.65 0.02 . 1 . . . . 16 VAL HA . 16682 1
56 . 1 1 16 16 VAL HB H 1 2.53 0.02 . 1 . . . . 16 VAL HB . 16682 1
57 . 1 1 16 16 VAL HG11 H 1 1.12 0.02 . 1 . . . . 16 VAL HG1 . 16682 1
58 . 1 1 16 16 VAL HG12 H 1 1.12 0.02 . 1 . . . . 16 VAL HG1 . 16682 1
59 . 1 1 16 16 VAL HG13 H 1 1.12 0.02 . 1 . . . . 16 VAL HG1 . 16682 1
60 . 1 1 16 16 VAL HG21 H 1 0.79 0.02 . 1 . . . . 16 VAL HG2 . 16682 1
61 . 1 1 16 16 VAL HG22 H 1 0.79 0.02 . 1 . . . . 16 VAL HG2 . 16682 1
62 . 1 1 16 16 VAL HG23 H 1 0.79 0.02 . 1 . . . . 16 VAL HG2 . 16682 1
63 . 1 1 16 16 VAL C C 13 175.9 0.3 . 1 . . . . 16 VAL C . 16682 1
64 . 1 1 16 16 VAL CA C 13 63.3 0.3 . 1 . . . . 16 VAL CA . 16682 1
65 . 1 1 16 16 VAL CB C 13 34.0 0.3 . 1 . . . . 16 VAL CB . 16682 1
66 . 1 1 16 16 VAL CG1 C 13 23.5 0.3 . 1 . . . . 16 VAL CG1 . 16682 1
67 . 1 1 16 16 VAL CG2 C 13 19.7 0.3 . 1 . . . . 16 VAL CG2 . 16682 1
68 . 1 1 16 16 VAL N N 15 114.6 0.3 . 1 . . . . 16 VAL N . 16682 1
69 . 1 1 17 17 ALA H H 1 7.78 0.02 . 1 . . . . 17 ALA H . 16682 1
70 . 1 1 17 17 ALA HA H 1 5.38 0.02 . 1 . . . . 17 ALA HA . 16682 1
71 . 1 1 17 17 ALA HB1 H 1 1.09 0.02 . 1 . . . . 17 ALA HB . 16682 1
72 . 1 1 17 17 ALA HB2 H 1 1.09 0.02 . 1 . . . . 17 ALA HB . 16682 1
73 . 1 1 17 17 ALA HB3 H 1 1.09 0.02 . 1 . . . . 17 ALA HB . 16682 1
74 . 1 1 17 17 ALA C C 13 174.2 0.3 . 1 . . . . 17 ALA C . 16682 1
75 . 1 1 17 17 ALA CA C 13 53.0 0.3 . 1 . . . . 17 ALA CA . 16682 1
76 . 1 1 17 17 ALA CB C 13 24.1 0.3 . 1 . . . . 17 ALA CB . 16682 1
77 . 1 1 17 17 ALA N N 15 122.9 0.3 . 1 . . . . 17 ALA N . 16682 1
78 . 1 1 18 18 LEU H H 1 8.65 0.02 . 1 . . . . 18 LEU H . 16682 1
79 . 1 1 18 18 LEU HA H 1 5.46 0.02 . 1 . . . . 18 LEU HA . 16682 1
80 . 1 1 18 18 LEU HB2 H 1 1.81 0.02 . 2 . . . . 18 LEU HB2 . 16682 1
81 . 1 1 18 18 LEU HB3 H 1 1.64 0.02 . 2 . . . . 18 LEU HB3 . 16682 1
82 . 1 1 18 18 LEU HD21 H 1 0.89 0.02 . 1 . . . . 18 LEU HD2 . 16682 1
83 . 1 1 18 18 LEU HD22 H 1 0.89 0.02 . 1 . . . . 18 LEU HD2 . 16682 1
84 . 1 1 18 18 LEU HD23 H 1 0.89 0.02 . 1 . . . . 18 LEU HD2 . 16682 1
85 . 1 1 18 18 LEU HG H 1 1.57 0.02 . 1 . . . . 18 LEU HG . 16682 1
86 . 1 1 18 18 LEU C C 13 176.1 0.3 . 1 . . . . 18 LEU C . 16682 1
87 . 1 1 18 18 LEU CA C 13 54.2 0.3 . 1 . . . . 18 LEU CA . 16682 1
88 . 1 1 18 18 LEU CB C 13 49.6 0.3 . 1 . . . . 18 LEU CB . 16682 1
89 . 1 1 18 18 LEU CD1 C 13 28.4 0.3 . 1 . . . . 18 LEU CD1 . 16682 1
90 . 1 1 18 18 LEU CD2 C 13 23.5 0.3 . 1 . . . . 18 LEU CD2 . 16682 1
91 . 1 1 18 18 LEU CG C 13 28.3 0.3 . 1 . . . . 18 LEU CG . 16682 1
92 . 1 1 18 18 LEU N N 15 118.6 0.3 . 1 . . . . 18 LEU N . 16682 1
93 . 1 1 19 19 ALA H H 1 8.60 0.02 . 1 . . . . 19 ALA H . 16682 1
94 . 1 1 19 19 ALA HA H 1 5.49 0.02 . 1 . . . . 19 ALA HA . 16682 1
95 . 1 1 19 19 ALA HB1 H 1 0.73 0.02 . 1 . . . . 19 ALA HB . 16682 1
96 . 1 1 19 19 ALA HB2 H 1 0.73 0.02 . 1 . . . . 19 ALA HB . 16682 1
97 . 1 1 19 19 ALA HB3 H 1 0.73 0.02 . 1 . . . . 19 ALA HB . 16682 1
98 . 1 1 19 19 ALA C C 13 174.4 0.3 . 1 . . . . 19 ALA C . 16682 1
99 . 1 1 19 19 ALA CA C 13 52.4 0.3 . 1 . . . . 19 ALA CA . 16682 1
100 . 1 1 19 19 ALA CB C 13 22.7 0.3 . 1 . . . . 19 ALA CB . 16682 1
101 . 1 1 19 19 ALA N N 15 121.1 0.3 . 1 . . . . 19 ALA N . 16682 1
102 . 1 1 20 20 SER H H 1 7.48 0.02 . 1 . . . . 20 SER H . 16682 1
103 . 1 1 20 20 SER HA H 1 3.93 0.02 . 1 . . . . 20 SER HA . 16682 1
104 . 1 1 20 20 SER C C 13 170.7 0.3 . 1 . . . . 20 SER C . 16682 1
105 . 1 1 20 20 SER CA C 13 57.2 0.3 . 1 . . . . 20 SER CA . 16682 1
106 . 1 1 20 20 SER CB C 13 64.3 0.3 . 1 . . . . 20 SER CB . 16682 1
107 . 1 1 20 20 SER N N 15 114.3 0.3 . 1 . . . . 20 SER N . 16682 1
108 . 1 1 21 21 ASN H H 1 8.04 0.02 . 1 . . . . 21 ASN H . 16682 1
109 . 1 1 21 21 ASN HA H 1 5.23 0.02 . 1 . . . . 21 ASN HA . 16682 1
110 . 1 1 21 21 ASN HB2 H 1 3.49 0.02 . 2 . . . . 21 ASN HB2 . 16682 1
111 . 1 1 21 21 ASN HB3 H 1 3.21 0.02 . 2 . . . . 21 ASN HB3 . 16682 1
112 . 1 1 21 21 ASN HD21 H 1 7.62 0.02 . 1 . . . . 21 ASN HD21 . 16682 1
113 . 1 1 21 21 ASN HD22 H 1 6.99 0.02 . 1 . . . . 21 ASN HD22 . 16682 1
114 . 1 1 21 21 ASN C C 13 176.5 0.3 . 1 . . . . 21 ASN C . 16682 1
115 . 1 1 21 21 ASN CA C 13 52.5 0.3 . 1 . . . . 21 ASN CA . 16682 1
116 . 1 1 21 21 ASN CB C 13 40.2 0.3 . 1 . . . . 21 ASN CB . 16682 1
117 . 1 1 21 21 ASN N N 15 117.6 0.3 . 1 . . . . 21 ASN N . 16682 1
118 . 1 1 21 21 ASN ND2 N 15 111.5 0.3 . 1 . . . . 21 ASN ND2 . 16682 1
119 . 1 1 22 22 THR H H 1 8.10 0.02 . 1 . . . . 22 THR H . 16682 1
120 . 1 1 22 22 THR HA H 1 4.42 0.02 . 1 . . . . 22 THR HA . 16682 1
121 . 1 1 22 22 THR HB H 1 4.73 0.02 . 1 . . . . 22 THR HB . 16682 1
122 . 1 1 22 22 THR HG21 H 1 1.68 0.02 . 1 . . . . 22 THR HG2 . 16682 1
123 . 1 1 22 22 THR HG22 H 1 1.68 0.02 . 1 . . . . 22 THR HG2 . 16682 1
124 . 1 1 22 22 THR HG23 H 1 1.68 0.02 . 1 . . . . 22 THR HG2 . 16682 1
125 . 1 1 22 22 THR C C 13 174.8 0.3 . 1 . . . . 22 THR C . 16682 1
126 . 1 1 22 22 THR CA C 13 63.2 0.3 . 1 . . . . 22 THR CA . 16682 1
127 . 1 1 22 22 THR CB C 13 71.8 0.3 . 1 . . . . 22 THR CB . 16682 1
128 . 1 1 22 22 THR CG2 C 13 24.0 0.3 . 1 . . . . 22 THR CG2 . 16682 1
129 . 1 1 22 22 THR N N 15 112.0 0.3 . 1 . . . . 22 THR N . 16682 1
130 . 1 1 23 23 GLU H H 1 8.98 0.02 . 1 . . . . 23 GLU H . 16682 1
131 . 1 1 23 23 GLU HA H 1 4.75 0.02 . 1 . . . . 23 GLU HA . 16682 1
132 . 1 1 23 23 GLU C C 13 178.8 0.3 . 1 . . . . 23 GLU C . 16682 1
133 . 1 1 23 23 GLU CA C 13 61.3 0.3 . 1 . . . . 23 GLU CA . 16682 1
134 . 1 1 23 23 GLU CB C 13 30.4 0.3 . 1 . . . . 23 GLU CB . 16682 1
135 . 1 1 23 23 GLU CG C 13 37.5 0.3 . 1 . . . . 23 GLU CG . 16682 1
136 . 1 1 23 23 GLU N N 15 122.7 0.3 . 1 . . . . 23 GLU N . 16682 1
137 . 1 1 24 24 PHE H H 1 8.61 0.02 . 1 . . . . 24 PHE H . 16682 1
138 . 1 1 24 24 PHE HA H 1 3.98 0.02 . 1 . . . . 24 PHE HA . 16682 1
139 . 1 1 24 24 PHE HB2 H 1 3.28 0.02 . 2 . . . . 24 PHE HB2 . 16682 1
140 . 1 1 24 24 PHE HB3 H 1 2.96 0.02 . 2 . . . . 24 PHE HB3 . 16682 1
141 . 1 1 24 24 PHE C C 13 175.9 0.3 . 1 . . . . 24 PHE C . 16682 1
142 . 1 1 24 24 PHE CA C 13 63.0 0.3 . 1 . . . . 24 PHE CA . 16682 1
143 . 1 1 24 24 PHE CB C 13 40.7 0.3 . 1 . . . . 24 PHE CB . 16682 1
144 . 1 1 24 24 PHE N N 15 118.2 0.3 . 1 . . . . 24 PHE N . 16682 1
145 . 1 1 25 25 PHE H H 1 7.74 0.02 . 1 . . . . 25 PHE H . 16682 1
146 . 1 1 25 25 PHE HA H 1 3.87 0.02 . 1 . . . . 25 PHE HA . 16682 1
147 . 1 1 25 25 PHE C C 13 176.5 0.3 . 1 . . . . 25 PHE C . 16682 1
148 . 1 1 25 25 PHE CA C 13 62.8 0.3 . 1 . . . . 25 PHE CA . 16682 1
149 . 1 1 25 25 PHE CB C 13 40.4 0.3 . 1 . . . . 25 PHE CB . 16682 1
150 . 1 1 25 25 PHE N N 15 119.1 0.3 . 1 . . . . 25 PHE N . 16682 1
151 . 1 1 26 26 LEU H H 1 8.34 0.02 . 1 . . . . 26 LEU H . 16682 1
152 . 1 1 26 26 LEU HA H 1 3.72 0.02 . 1 . . . . 26 LEU HA . 16682 1
153 . 1 1 26 26 LEU HB2 H 1 1.88 0.02 . 2 . . . . 26 LEU HB2 . 16682 1
154 . 1 1 26 26 LEU HB3 H 1 1.47 0.02 . 2 . . . . 26 LEU HB3 . 16682 1
155 . 1 1 26 26 LEU HD11 H 1 1.10 0.02 . 1 . . . . 26 LEU HD1 . 16682 1
156 . 1 1 26 26 LEU HD12 H 1 1.10 0.02 . 1 . . . . 26 LEU HD1 . 16682 1
157 . 1 1 26 26 LEU HD13 H 1 1.10 0.02 . 1 . . . . 26 LEU HD1 . 16682 1
158 . 1 1 26 26 LEU HD21 H 1 0.94 0.02 . 1 . . . . 26 LEU HD2 . 16682 1
159 . 1 1 26 26 LEU HD22 H 1 0.94 0.02 . 1 . . . . 26 LEU HD2 . 16682 1
160 . 1 1 26 26 LEU HD23 H 1 0.94 0.02 . 1 . . . . 26 LEU HD2 . 16682 1
161 . 1 1 26 26 LEU C C 13 179.2 0.3 . 1 . . . . 26 LEU C . 16682 1
162 . 1 1 26 26 LEU CA C 13 58.6 0.3 . 1 . . . . 26 LEU CA . 16682 1
163 . 1 1 26 26 LEU CB C 13 42.0 0.3 . 1 . . . . 26 LEU CB . 16682 1
164 . 1 1 26 26 LEU CD1 C 13 24.0 0.3 . 1 . . . . 26 LEU CD1 . 16682 1
165 . 1 1 26 26 LEU CD2 C 13 26.7 0.3 . 1 . . . . 26 LEU CD2 . 16682 1
166 . 1 1 26 26 LEU N N 15 115.9 0.3 . 1 . . . . 26 LEU N . 16682 1
167 . 1 1 27 27 ARG H H 1 7.70 0.02 . 1 . . . . 27 ARG H . 16682 1
168 . 1 1 27 27 ARG HA H 1 4.11 0.02 . 1 . . . . 27 ARG HA . 16682 1
169 . 1 1 27 27 ARG C C 13 178.4 0.3 . 1 . . . . 27 ARG C . 16682 1
170 . 1 1 27 27 ARG CA C 13 59.2 0.3 . 1 . . . . 27 ARG CA . 16682 1
171 . 1 1 27 27 ARG CB C 13 32.1 0.3 . 1 . . . . 27 ARG CB . 16682 1
172 . 1 1 27 27 ARG CD C 13 44.5 0.3 . 1 . . . . 27 ARG CD . 16682 1
173 . 1 1 27 27 ARG CG C 13 28.5 0.3 . 1 . . . . 27 ARG CG . 16682 1
174 . 1 1 27 27 ARG N N 15 116.9 0.3 . 1 . . . . 27 ARG N . 16682 1
175 . 1 1 28 28 GLU H H 1 7.71 0.02 . 1 . . . . 28 GLU H . 16682 1
176 . 1 1 28 28 GLU HA H 1 4.36 0.02 . 1 . . . . 28 GLU HA . 16682 1
177 . 1 1 28 28 GLU C C 13 178.2 0.3 . 1 . . . . 28 GLU C . 16682 1
178 . 1 1 28 28 GLU CA C 13 56.7 0.3 . 1 . . . . 28 GLU CA . 16682 1
179 . 1 1 28 28 GLU CB C 13 30.9 0.3 . 1 . . . . 28 GLU CB . 16682 1
180 . 1 1 28 28 GLU CG C 13 35.6 0.3 . 1 . . . . 28 GLU CG . 16682 1
181 . 1 1 28 28 GLU N N 15 116.1 0.3 . 1 . . . . 28 GLU N . 16682 1
182 . 1 1 29 29 LYS H H 1 7.88 0.02 . 1 . . . . 29 LYS H . 16682 1
183 . 1 1 29 29 LYS HA H 1 4.32 0.02 . 1 . . . . 29 LYS HA . 16682 1
184 . 1 1 29 29 LYS HB2 H 1 1.11 0.02 . 2 . . . . 29 LYS HB2 . 16682 1
185 . 1 1 29 29 LYS HB3 H 1 0.86 0.02 . 2 . . . . 29 LYS HB3 . 16682 1
186 . 1 1 29 29 LYS C C 13 177.9 0.3 . 1 . . . . 29 LYS C . 16682 1
187 . 1 1 29 29 LYS CA C 13 59.9 0.3 . 1 . . . . 29 LYS CA . 16682 1
188 . 1 1 29 29 LYS CB C 13 31.4 0.3 . 1 . . . . 29 LYS CB . 16682 1
189 . 1 1 29 29 LYS CE C 13 43.0 0.3 . 1 . . . . 29 LYS CE . 16682 1
190 . 1 1 29 29 LYS N N 15 120.5 0.3 . 1 . . . . 29 LYS N . 16682 1
191 . 1 1 30 30 ASP H H 1 8.38 0.02 . 1 . . . . 30 ASP H . 16682 1
192 . 1 1 30 30 ASP HA H 1 4.39 0.02 . 1 . . . . 30 ASP HA . 16682 1
193 . 1 1 30 30 ASP HB2 H 1 2.70 0.02 . 2 . . . . 30 ASP HB2 . 16682 1
194 . 1 1 30 30 ASP HB3 H 1 2.61 0.02 . 2 . . . . 30 ASP HB3 . 16682 1
195 . 1 1 30 30 ASP C C 13 177.0 0.3 . 1 . . . . 30 ASP C . 16682 1
196 . 1 1 30 30 ASP CA C 13 57.2 0.3 . 1 . . . . 30 ASP CA . 16682 1
197 . 1 1 30 30 ASP CB C 13 40.6 0.3 . 1 . . . . 30 ASP CB . 16682 1
198 . 1 1 30 30 ASP N N 15 118.9 0.3 . 1 . . . . 30 ASP N . 16682 1
199 . 1 1 31 31 LYS H H 1 8.14 0.02 . 1 . . . . 31 LYS H . 16682 1
200 . 1 1 31 31 LYS HA H 1 4.39 0.02 . 1 . . . . 31 LYS HA . 16682 1
201 . 1 1 31 31 LYS C C 13 177.2 0.3 . 1 . . . . 31 LYS C . 16682 1
202 . 1 1 31 31 LYS CA C 13 57.0 0.3 . 1 . . . . 31 LYS CA . 16682 1
203 . 1 1 31 31 LYS CB C 13 34.2 0.3 . 1 . . . . 31 LYS CB . 16682 1
204 . 1 1 31 31 LYS CD C 13 30.2 0.3 . 1 . . . . 31 LYS CD . 16682 1
205 . 1 1 31 31 LYS CE C 13 43.1 0.3 . 1 . . . . 31 LYS CE . 16682 1
206 . 1 1 31 31 LYS CG C 13 25.9 0.3 . 1 . . . . 31 LYS CG . 16682 1
207 . 1 1 31 31 LYS N N 15 118.1 0.3 . 1 . . . . 31 LYS N . 16682 1
208 . 1 1 32 32 MET H H 1 7.21 0.02 . 1 . . . . 32 MET H . 16682 1
209 . 1 1 32 32 MET HA H 1 4.52 0.02 . 1 . . . . 32 MET HA . 16682 1
210 . 1 1 32 32 MET HE1 H 1 2.04 0.02 . 1 . . . . 32 MET HE . 16682 1
211 . 1 1 32 32 MET HE2 H 1 2.04 0.02 . 1 . . . . 32 MET HE . 16682 1
212 . 1 1 32 32 MET HE3 H 1 2.04 0.02 . 1 . . . . 32 MET HE . 16682 1
213 . 1 1 32 32 MET C C 13 176.2 0.3 . 1 . . . . 32 MET C . 16682 1
214 . 1 1 32 32 MET CA C 13 58.0 0.3 . 1 . . . . 32 MET CA . 16682 1
215 . 1 1 32 32 MET CB C 13 33.5 0.3 . 1 . . . . 32 MET CB . 16682 1
216 . 1 1 32 32 MET CE C 13 20.9 0.3 . 1 . . . . 32 MET CE . 16682 1
217 . 1 1 32 32 MET CG C 13 35.5 0.3 . 1 . . . . 32 MET CG . 16682 1
218 . 1 1 32 32 MET N N 15 120.5 0.3 . 1 . . . . 32 MET N . 16682 1
219 . 1 1 33 33 LYS H H 1 8.52 0.02 . 1 . . . . 33 LYS H . 16682 1
220 . 1 1 33 33 LYS HA H 1 4.63 0.02 . 1 . . . . 33 LYS HA . 16682 1
221 . 1 1 33 33 LYS C C 13 173.0 0.3 . 1 . . . . 33 LYS C . 16682 1
222 . 1 1 33 33 LYS CA C 13 56.1 0.3 . 1 . . . . 33 LYS CA . 16682 1
223 . 1 1 33 33 LYS CB C 13 39.1 0.3 . 1 . . . . 33 LYS CB . 16682 1
224 . 1 1 33 33 LYS N N 15 120.1 0.3 . 1 . . . . 33 LYS N . 16682 1
225 . 1 1 34 34 MET H H 1 8.34 0.02 . 1 . . . . 34 MET H . 16682 1
226 . 1 1 34 34 MET HA H 1 4.13 0.02 . 1 . . . . 34 MET HA . 16682 1
227 . 1 1 34 34 MET HB2 H 1 2.16 0.02 . 2 . . . . 34 MET HB2 . 16682 1
228 . 1 1 34 34 MET HB3 H 1 2.06 0.02 . 2 . . . . 34 MET HB3 . 16682 1
229 . 1 1 34 34 MET HE1 H 1 2.26 0.02 . 1 . . . . 34 MET HE . 16682 1
230 . 1 1 34 34 MET HE2 H 1 2.26 0.02 . 1 . . . . 34 MET HE . 16682 1
231 . 1 1 34 34 MET HE3 H 1 2.26 0.02 . 1 . . . . 34 MET HE . 16682 1
232 . 1 1 34 34 MET HG2 H 1 3.01 0.02 . 2 . . . . 34 MET HG2 . 16682 1
233 . 1 1 34 34 MET HG3 H 1 2.80 0.02 . 2 . . . . 34 MET HG3 . 16682 1
234 . 1 1 34 34 MET C C 13 173.8 0.3 . 1 . . . . 34 MET C . 16682 1
235 . 1 1 34 34 MET CA C 13 59.5 0.3 . 1 . . . . 34 MET CA . 16682 1
236 . 1 1 34 34 MET CB C 13 35.7 0.3 . 1 . . . . 34 MET CB . 16682 1
237 . 1 1 34 34 MET CE C 13 18.5 0.3 . 1 . . . . 34 MET CE . 16682 1
238 . 1 1 34 34 MET CG C 13 32.1 0.3 . 1 . . . . 34 MET CG . 16682 1
239 . 1 1 34 34 MET N N 15 118.5 0.3 . 1 . . . . 34 MET N . 16682 1
240 . 1 1 35 35 ALA H H 1 7.57 0.02 . 1 . . . . 35 ALA H . 16682 1
241 . 1 1 35 35 ALA HA H 1 5.26 0.02 . 1 . . . . 35 ALA HA . 16682 1
242 . 1 1 35 35 ALA HB1 H 1 1.87 0.02 . 1 . . . . 35 ALA HB . 16682 1
243 . 1 1 35 35 ALA HB2 H 1 1.87 0.02 . 1 . . . . 35 ALA HB . 16682 1
244 . 1 1 35 35 ALA HB3 H 1 1.87 0.02 . 1 . . . . 35 ALA HB . 16682 1
245 . 1 1 35 35 ALA C C 13 176.1 0.3 . 1 . . . . 35 ALA C . 16682 1
246 . 1 1 35 35 ALA CA C 13 50.6 0.3 . 1 . . . . 35 ALA CA . 16682 1
247 . 1 1 35 35 ALA CB C 13 23.7 0.3 . 1 . . . . 35 ALA CB . 16682 1
248 . 1 1 35 35 ALA N N 15 126.6 0.3 . 1 . . . . 35 ALA N . 16682 1
249 . 1 1 36 36 MET H H 1 8.91 0.02 . 1 . . . . 36 MET H . 16682 1
250 . 1 1 36 36 MET HA H 1 5.05 0.02 . 1 . . . . 36 MET HA . 16682 1
251 . 1 1 36 36 MET HE1 H 1 2.09 0.02 . 1 . . . . 36 MET HE . 16682 1
252 . 1 1 36 36 MET HE2 H 1 2.09 0.02 . 1 . . . . 36 MET HE . 16682 1
253 . 1 1 36 36 MET HE3 H 1 2.09 0.02 . 1 . . . . 36 MET HE . 16682 1
254 . 1 1 36 36 MET C C 13 172.6 0.3 . 1 . . . . 36 MET C . 16682 1
255 . 1 1 36 36 MET CA C 13 56.1 0.3 . 1 . . . . 36 MET CA . 16682 1
256 . 1 1 36 36 MET CB C 13 39.7 0.3 . 1 . . . . 36 MET CB . 16682 1
257 . 1 1 36 36 MET CE C 13 19.0 0.3 . 1 . . . . 36 MET CE . 16682 1
258 . 1 1 36 36 MET CG C 13 33.8 0.3 . 1 . . . . 36 MET CG . 16682 1
259 . 1 1 36 36 MET N N 15 118.2 0.3 . 1 . . . . 36 MET N . 16682 1
260 . 1 1 37 37 ALA H H 1 8.73 0.02 . 1 . . . . 37 ALA H . 16682 1
261 . 1 1 37 37 ALA HA H 1 5.27 0.02 . 1 . . . . 37 ALA HA . 16682 1
262 . 1 1 37 37 ALA HB1 H 1 0.81 0.02 . 1 . . . . 37 ALA HB . 16682 1
263 . 1 1 37 37 ALA HB2 H 1 0.81 0.02 . 1 . . . . 37 ALA HB . 16682 1
264 . 1 1 37 37 ALA HB3 H 1 0.81 0.02 . 1 . . . . 37 ALA HB . 16682 1
265 . 1 1 37 37 ALA C C 13 175.4 0.3 . 1 . . . . 37 ALA C . 16682 1
266 . 1 1 37 37 ALA CA C 13 51.2 0.3 . 1 . . . . 37 ALA CA . 16682 1
267 . 1 1 37 37 ALA CB C 13 24.4 0.3 . 1 . . . . 37 ALA CB . 16682 1
268 . 1 1 37 37 ALA N N 15 122.8 0.3 . 1 . . . . 37 ALA N . 16682 1
269 . 1 1 38 38 ARG H H 1 9.13 0.02 . 1 . . . . 38 ARG H . 16682 1
270 . 1 1 38 38 ARG HA H 1 5.15 0.02 . 1 . . . . 38 ARG HA . 16682 1
271 . 1 1 38 38 ARG HB2 H 1 1.67 0.02 . 2 . . . . 38 ARG HB2 . 16682 1
272 . 1 1 38 38 ARG HB3 H 1 1.32 0.02 . 2 . . . . 38 ARG HB3 . 16682 1
273 . 1 1 38 38 ARG C C 13 174.9 0.3 . 1 . . . . 38 ARG C . 16682 1
274 . 1 1 38 38 ARG CA C 13 55.2 0.3 . 1 . . . . 38 ARG CA . 16682 1
275 . 1 1 38 38 ARG CB C 13 34.1 0.3 . 1 . . . . 38 ARG CB . 16682 1
276 . 1 1 38 38 ARG CD C 13 44.0 0.3 . 1 . . . . 38 ARG CD . 16682 1
277 . 1 1 38 38 ARG CG C 13 28.9 0.3 . 1 . . . . 38 ARG CG . 16682 1
278 . 1 1 38 38 ARG N N 15 121.0 0.3 . 1 . . . . 38 ARG N . 16682 1
279 . 1 1 39 39 ILE H H 1 9.18 0.02 . 1 . . . . 39 ILE H . 16682 1
280 . 1 1 39 39 ILE HA H 1 4.76 0.02 . 1 . . . . 39 ILE HA . 16682 1
281 . 1 1 39 39 ILE HB H 1 1.66 0.02 . 1 . . . . 39 ILE HB . 16682 1
282 . 1 1 39 39 ILE HD11 H 1 -0.19 0.02 . 1 . . . . 39 ILE HD1 . 16682 1
283 . 1 1 39 39 ILE HD12 H 1 -0.19 0.02 . 1 . . . . 39 ILE HD1 . 16682 1
284 . 1 1 39 39 ILE HD13 H 1 -0.19 0.02 . 1 . . . . 39 ILE HD1 . 16682 1
285 . 1 1 39 39 ILE HG12 H 1 1.22 0.02 . 2 . . . . 39 ILE HG12 . 16682 1
286 . 1 1 39 39 ILE HG13 H 1 0.64 0.02 . 2 . . . . 39 ILE HG13 . 16682 1
287 . 1 1 39 39 ILE HG21 H 1 0.52 0.02 . 1 . . . . 39 ILE HG2 . 16682 1
288 . 1 1 39 39 ILE HG22 H 1 0.52 0.02 . 1 . . . . 39 ILE HG2 . 16682 1
289 . 1 1 39 39 ILE HG23 H 1 0.52 0.02 . 1 . . . . 39 ILE HG2 . 16682 1
290 . 1 1 39 39 ILE C C 13 175.1 0.3 . 1 . . . . 39 ILE C . 16682 1
291 . 1 1 39 39 ILE CA C 13 60.2 0.3 . 1 . . . . 39 ILE CA . 16682 1
292 . 1 1 39 39 ILE CB C 13 41.4 0.3 . 1 . . . . 39 ILE CB . 16682 1
293 . 1 1 39 39 ILE CD1 C 13 25.3 0.3 . 1 . . . . 39 ILE CD1 . 16682 1
294 . 1 1 39 39 ILE CG1 C 13 29.3 0.3 . 1 . . . . 39 ILE CG1 . 16682 1
295 . 1 1 39 39 ILE CG2 C 13 18.7 0.3 . 1 . . . . 39 ILE CG2 . 16682 1
296 . 1 1 39 39 ILE N N 15 128.7 0.3 . 1 . . . . 39 ILE N . 16682 1
297 . 1 1 41 41 PHE H H 1 9.15 0.02 . 1 . . . . 41 PHE H . 16682 1
298 . 1 1 41 41 PHE HA H 1 4.87 0.02 . 1 . . . . 41 PHE HA . 16682 1
299 . 1 1 41 41 PHE HB2 H 1 3.26 0.02 . 2 . . . . 41 PHE HB2 . 16682 1
300 . 1 1 41 41 PHE HB3 H 1 2.83 0.02 . 2 . . . . 41 PHE HB3 . 16682 1
301 . 1 1 41 41 PHE C C 13 175.9 0.3 . 1 . . . . 41 PHE C . 16682 1
302 . 1 1 41 41 PHE CA C 13 60.0 0.3 . 1 . . . . 41 PHE CA . 16682 1
303 . 1 1 41 41 PHE CB C 13 40.9 0.3 . 1 . . . . 41 PHE CB . 16682 1
304 . 1 1 41 41 PHE CD1 C 13 132.1 0.3 . 1 . . . . 41 PHE CD1 . 16682 1
305 . 1 1 41 41 PHE CE1 C 13 131.0 0.3 . 1 . . . . 41 PHE CE1 . 16682 1
306 . 1 1 41 41 PHE N N 15 123.6 0.3 . 1 . . . . 41 PHE N . 16682 1
307 . 1 1 42 42 LEU H H 1 8.46 0.02 . 1 . . . . 42 LEU H . 16682 1
308 . 1 1 42 42 LEU HA H 1 4.59 0.02 . 1 . . . . 42 LEU HA . 16682 1
309 . 1 1 42 42 LEU HB2 H 1 1.64 0.02 . 2 . . . . 42 LEU HB2 . 16682 1
310 . 1 1 42 42 LEU HB3 H 1 1.51 0.02 . 2 . . . . 42 LEU HB3 . 16682 1
311 . 1 1 42 42 LEU HD11 H 1 0.85 0.02 . 1 . . . . 42 LEU HD1 . 16682 1
312 . 1 1 42 42 LEU HD12 H 1 0.85 0.02 . 1 . . . . 42 LEU HD1 . 16682 1
313 . 1 1 42 42 LEU HD13 H 1 0.85 0.02 . 1 . . . . 42 LEU HD1 . 16682 1
314 . 1 1 42 42 LEU HD21 H 1 0.81 0.02 . 1 . . . . 42 LEU HD2 . 16682 1
315 . 1 1 42 42 LEU HD22 H 1 0.81 0.02 . 1 . . . . 42 LEU HD2 . 16682 1
316 . 1 1 42 42 LEU HD23 H 1 0.81 0.02 . 1 . . . . 42 LEU HD2 . 16682 1
317 . 1 1 42 42 LEU HG H 1 1.19 0.02 . 1 . . . . 42 LEU HG . 16682 1
318 . 1 1 42 42 LEU C C 13 176.4 0.3 . 1 . . . . 42 LEU C . 16682 1
319 . 1 1 42 42 LEU CA C 13 55.5 0.3 . 1 . . . . 42 LEU CA . 16682 1
320 . 1 1 42 42 LEU CB C 13 43.7 0.3 . 1 . . . . 42 LEU CB . 16682 1
321 . 1 1 42 42 LEU CD1 C 13 26.8 0.3 . 1 . . . . 42 LEU CD1 . 16682 1
322 . 1 1 42 42 LEU CD2 C 13 24.5 0.3 . 1 . . . . 42 LEU CD2 . 16682 1
323 . 1 1 42 42 LEU CG C 13 28.5 0.3 . 1 . . . . 42 LEU CG . 16682 1
324 . 1 1 42 42 LEU N N 15 125.9 0.3 . 1 . . . . 42 LEU N . 16682 1
325 . 1 1 43 43 GLY H H 1 8.26 0.02 . 1 . . . . 43 GLY H . 16682 1
326 . 1 1 43 43 GLY C C 13 173.7 0.3 . 1 . . . . 43 GLY C . 16682 1
327 . 1 1 43 43 GLY CA C 13 45.9 0.3 . 1 . . . . 43 GLY CA . 16682 1
328 . 1 1 43 43 GLY N N 15 108.5 0.3 . 1 . . . . 43 GLY N . 16682 1
329 . 1 1 44 44 GLU H H 1 8.85 0.02 . 1 . . . . 44 GLU H . 16682 1
330 . 1 1 44 44 GLU HA H 1 4.11 0.02 . 1 . . . . 44 GLU HA . 16682 1
331 . 1 1 44 44 GLU C C 13 177.2 0.3 . 1 . . . . 44 GLU C . 16682 1
332 . 1 1 44 44 GLU CA C 13 59.6 0.3 . 1 . . . . 44 GLU CA . 16682 1
333 . 1 1 44 44 GLU CB C 13 30.8 0.3 . 1 . . . . 44 GLU CB . 16682 1
334 . 1 1 44 44 GLU CG C 13 37.3 0.3 . 1 . . . . 44 GLU CG . 16682 1
335 . 1 1 44 44 GLU N N 15 119.6 0.3 . 1 . . . . 44 GLU N . 16682 1
336 . 1 1 45 45 ASP H H 1 8.40 0.02 . 1 . . . . 45 ASP H . 16682 1
337 . 1 1 45 45 ASP HA H 1 4.87 0.02 . 1 . . . . 45 ASP HA . 16682 1
338 . 1 1 45 45 ASP HB2 H 1 3.07 0.02 . 2 . . . . 45 ASP HB2 . 16682 1
339 . 1 1 45 45 ASP HB3 H 1 2.82 0.02 . 2 . . . . 45 ASP HB3 . 16682 1
340 . 1 1 45 45 ASP C C 13 174.5 0.3 . 1 . . . . 45 ASP C . 16682 1
341 . 1 1 45 45 ASP CA C 13 54.8 0.3 . 1 . . . . 45 ASP CA . 16682 1
342 . 1 1 45 45 ASP CB C 13 42.7 0.3 . 1 . . . . 45 ASP CB . 16682 1
343 . 1 1 45 45 ASP N N 15 114.7 0.3 . 1 . . . . 45 ASP N . 16682 1
344 . 1 1 46 46 GLU H H 1 7.54 0.02 . 1 . . . . 46 GLU H . 16682 1
345 . 1 1 46 46 GLU HA H 1 5.46 0.02 . 1 . . . . 46 GLU HA . 16682 1
346 . 1 1 46 46 GLU C C 13 174.8 0.3 . 1 . . . . 46 GLU C . 16682 1
347 . 1 1 46 46 GLU CA C 13 56.7 0.3 . 1 . . . . 46 GLU CA . 16682 1
348 . 1 1 46 46 GLU CB C 13 34.7 0.3 . 1 . . . . 46 GLU CB . 16682 1
349 . 1 1 46 46 GLU CG C 13 38.1 0.3 . 1 . . . . 46 GLU CG . 16682 1
350 . 1 1 46 46 GLU N N 15 118.8 0.3 . 1 . . . . 46 GLU N . 16682 1
351 . 1 1 47 47 LEU H H 1 8.90 0.02 . 1 . . . . 47 LEU H . 16682 1
352 . 1 1 47 47 LEU HA H 1 4.72 0.02 . 1 . . . . 47 LEU HA . 16682 1
353 . 1 1 47 47 LEU HB2 H 1 1.12 0.02 . 2 . . . . 47 LEU HB2 . 16682 1
354 . 1 1 47 47 LEU HB3 H 1 0.89 0.02 . 2 . . . . 47 LEU HB3 . 16682 1
355 . 1 1 47 47 LEU HD11 H 1 0.14 0.02 . 1 . . . . 47 LEU HD1 . 16682 1
356 . 1 1 47 47 LEU HD12 H 1 0.14 0.02 . 1 . . . . 47 LEU HD1 . 16682 1
357 . 1 1 47 47 LEU HD13 H 1 0.14 0.02 . 1 . . . . 47 LEU HD1 . 16682 1
358 . 1 1 47 47 LEU HD21 H 1 0.05 0.02 . 1 . . . . 47 LEU HD2 . 16682 1
359 . 1 1 47 47 LEU HD22 H 1 0.05 0.02 . 1 . . . . 47 LEU HD2 . 16682 1
360 . 1 1 47 47 LEU HD23 H 1 0.05 0.02 . 1 . . . . 47 LEU HD2 . 16682 1
361 . 1 1 47 47 LEU HG H 1 1.27 0.02 . 1 . . . . 47 LEU HG . 16682 1
362 . 1 1 47 47 LEU C C 13 173.9 0.3 . 1 . . . . 47 LEU C . 16682 1
363 . 1 1 47 47 LEU CA C 13 55.3 0.3 . 1 . . . . 47 LEU CA . 16682 1
364 . 1 1 47 47 LEU CB C 13 47.4 0.3 . 1 . . . . 47 LEU CB . 16682 1
365 . 1 1 47 47 LEU CD1 C 13 26.3 0.3 . 1 . . . . 47 LEU CD1 . 16682 1
366 . 1 1 47 47 LEU CD2 C 13 27.3 0.3 . 1 . . . . 47 LEU CD2 . 16682 1
367 . 1 1 47 47 LEU CG C 13 27.7 0.3 . 1 . . . . 47 LEU CG . 16682 1
368 . 1 1 47 47 LEU N N 15 125.4 0.3 . 1 . . . . 47 LEU N . 16682 1
369 . 1 1 48 48 LYS H H 1 9.17 0.02 . 1 . . . . 48 LYS H . 16682 1
370 . 1 1 48 48 LYS HA H 1 5.13 0.02 . 1 . . . . 48 LYS HA . 16682 1
371 . 1 1 48 48 LYS HB2 H 1 1.65 0.02 . 2 . . . . 48 LYS HB2 . 16682 1
372 . 1 1 48 48 LYS HB3 H 1 1.49 0.02 . 2 . . . . 48 LYS HB3 . 16682 1
373 . 1 1 48 48 LYS HG2 H 1 1.22 0.02 . 2 . . . . 48 LYS HG2 . 16682 1
374 . 1 1 48 48 LYS HG3 H 1 1.11 0.02 . 2 . . . . 48 LYS HG3 . 16682 1
375 . 1 1 48 48 LYS C C 13 174.3 0.3 . 1 . . . . 48 LYS C . 16682 1
376 . 1 1 48 48 LYS CA C 13 56.0 0.3 . 1 . . . . 48 LYS CA . 16682 1
377 . 1 1 48 48 LYS CB C 13 35.9 0.3 . 1 . . . . 48 LYS CB . 16682 1
378 . 1 1 48 48 LYS CD C 13 30.2 0.3 . 1 . . . . 48 LYS CD . 16682 1
379 . 1 1 48 48 LYS CE C 13 42.8 0.3 . 1 . . . . 48 LYS CE . 16682 1
380 . 1 1 48 48 LYS CG C 13 25.9 0.3 . 1 . . . . 48 LYS CG . 16682 1
381 . 1 1 48 48 LYS N N 15 125.8 0.3 . 1 . . . . 48 LYS N . 16682 1
382 . 1 1 49 49 VAL H H 1 9.04 0.02 . 1 . . . . 49 VAL H . 16682 1
383 . 1 1 49 49 VAL HA H 1 4.75 0.02 . 1 . . . . 49 VAL HA . 16682 1
384 . 1 1 49 49 VAL HB H 1 1.84 0.02 . 1 . . . . 49 VAL HB . 16682 1
385 . 1 1 49 49 VAL HG11 H 1 0.72 0.02 . 1 . . . . 49 VAL HG1 . 16682 1
386 . 1 1 49 49 VAL HG12 H 1 0.72 0.02 . 1 . . . . 49 VAL HG1 . 16682 1
387 . 1 1 49 49 VAL HG13 H 1 0.72 0.02 . 1 . . . . 49 VAL HG1 . 16682 1
388 . 1 1 49 49 VAL HG21 H 1 0.17 0.02 . 1 . . . . 49 VAL HG2 . 16682 1
389 . 1 1 49 49 VAL HG22 H 1 0.17 0.02 . 1 . . . . 49 VAL HG2 . 16682 1
390 . 1 1 49 49 VAL HG23 H 1 0.17 0.02 . 1 . . . . 49 VAL HG2 . 16682 1
391 . 1 1 49 49 VAL C C 13 173.8 0.3 . 1 . . . . 49 VAL C . 16682 1
392 . 1 1 49 49 VAL CA C 13 61.3 0.3 . 1 . . . . 49 VAL CA . 16682 1
393 . 1 1 49 49 VAL CB C 13 35.3 0.3 . 1 . . . . 49 VAL CB . 16682 1
394 . 1 1 49 49 VAL CG1 C 13 23.0 0.3 . 1 . . . . 49 VAL CG1 . 16682 1
395 . 1 1 49 49 VAL CG2 C 13 23.5 0.3 . 1 . . . . 49 VAL CG2 . 16682 1
396 . 1 1 49 49 VAL N N 15 127.2 0.3 . 1 . . . . 49 VAL N . 16682 1
397 . 1 1 50 50 SER H H 1 8.34 0.02 . 1 . . . . 50 SER H . 16682 1
398 . 1 1 50 50 SER HA H 1 4.77 0.02 . 1 . . . . 50 SER HA . 16682 1
399 . 1 1 50 50 SER HB2 H 1 3.82 0.02 . 2 . . . . 50 SER HB2 . 16682 1
400 . 1 1 50 50 SER HB3 H 1 3.46 0.02 . 2 . . . . 50 SER HB3 . 16682 1
401 . 1 1 50 50 SER CA C 13 57.3 0.3 . 1 . . . . 50 SER CA . 16682 1
402 . 1 1 50 50 SER CB C 13 65.3 0.3 . 1 . . . . 50 SER CB . 16682 1
403 . 1 1 50 50 SER N N 15 120.7 0.3 . 1 . . . . 50 SER N . 16682 1
404 . 1 1 51 51 TYR H H 1 8.80 0.02 . 1 . . . . 51 TYR H . 16682 1
405 . 1 1 51 51 TYR HA H 1 4.92 0.02 . 1 . . . . 51 TYR HA . 16682 1
406 . 1 1 51 51 TYR C C 13 176.8 0.3 . 1 . . . . 51 TYR C . 16682 1
407 . 1 1 51 51 TYR CA C 13 58.2 0.3 . 1 . . . . 51 TYR CA . 16682 1
408 . 1 1 51 51 TYR CB C 13 42.6 0.3 . 1 . . . . 51 TYR CB . 16682 1
409 . 1 1 51 51 TYR CE1 C 13 117.8 0.3 . 1 . . . . 51 TYR CE1 . 16682 1
410 . 1 1 51 51 TYR N N 15 122.0 0.3 . 1 . . . . 51 TYR N . 16682 1
411 . 1 1 52 52 ALA H H 1 8.35 0.02 . 1 . . . . 52 ALA H . 16682 1
412 . 1 1 52 52 ALA HA H 1 4.91 0.02 . 1 . . . . 52 ALA HA . 16682 1
413 . 1 1 52 52 ALA HB1 H 1 0.89 0.02 . 1 . . . . 52 ALA HB . 16682 1
414 . 1 1 52 52 ALA HB2 H 1 0.89 0.02 . 1 . . . . 52 ALA HB . 16682 1
415 . 1 1 52 52 ALA HB3 H 1 0.89 0.02 . 1 . . . . 52 ALA HB . 16682 1
416 . 1 1 52 52 ALA C C 13 174.8 0.3 . 1 . . . . 52 ALA C . 16682 1
417 . 1 1 52 52 ALA CA C 13 53.0 0.3 . 1 . . . . 52 ALA CA . 16682 1
418 . 1 1 52 52 ALA CB C 13 21.9 0.3 . 1 . . . . 52 ALA CB . 16682 1
419 . 1 1 52 52 ALA N N 15 123.8 0.3 . 1 . . . . 52 ALA N . 16682 1
420 . 1 1 53 53 VAL H H 1 9.18 0.02 . 1 . . . . 53 VAL H . 16682 1
421 . 1 1 53 53 VAL HA H 1 4.68 0.02 . 1 . . . . 53 VAL HA . 16682 1
422 . 1 1 53 53 VAL HB H 1 1.82 0.02 . 1 . . . . 53 VAL HB . 16682 1
423 . 1 1 53 53 VAL HG11 H 1 0.73 0.02 . 1 . . . . 53 VAL HG1 . 16682 1
424 . 1 1 53 53 VAL HG12 H 1 0.73 0.02 . 1 . . . . 53 VAL HG1 . 16682 1
425 . 1 1 53 53 VAL HG13 H 1 0.73 0.02 . 1 . . . . 53 VAL HG1 . 16682 1
426 . 1 1 53 53 VAL HG21 H 1 0.34 0.02 . 1 . . . . 53 VAL HG2 . 16682 1
427 . 1 1 53 53 VAL HG22 H 1 0.34 0.02 . 1 . . . . 53 VAL HG2 . 16682 1
428 . 1 1 53 53 VAL HG23 H 1 0.34 0.02 . 1 . . . . 53 VAL HG2 . 16682 1
429 . 1 1 53 53 VAL C C 13 174.2 0.3 . 1 . . . . 53 VAL C . 16682 1
430 . 1 1 53 53 VAL CA C 13 59.3 0.3 . 1 . . . . 53 VAL CA . 16682 1
431 . 1 1 53 53 VAL CB C 13 36.5 0.3 . 1 . . . . 53 VAL CB . 16682 1
432 . 1 1 53 53 VAL CG1 C 13 21.3 0.3 . 1 . . . . 53 VAL CG1 . 16682 1
433 . 1 1 53 53 VAL CG2 C 13 22.4 0.3 . 1 . . . . 53 VAL CG2 . 16682 1
434 . 1 1 53 53 VAL N N 15 124.2 0.3 . 1 . . . . 53 VAL N . 16682 1
435 . 1 1 57 57 ASN H H 1 8.30 0.02 . 1 . . . . 57 ASN H . 16682 1
436 . 1 1 57 57 ASN HA H 1 4.72 0.02 . 1 . . . . 57 ASN HA . 16682 1
437 . 1 1 57 57 ASN HD21 H 1 7.58 0.02 . 1 . . . . 57 ASN HD21 . 16682 1
438 . 1 1 57 57 ASN HD22 H 1 6.89 0.02 . 1 . . . . 57 ASN HD22 . 16682 1
439 . 1 1 57 57 ASN C C 13 174.9 0.3 . 1 . . . . 57 ASN C . 16682 1
440 . 1 1 57 57 ASN CA C 13 54.0 0.3 . 1 . . . . 57 ASN CA . 16682 1
441 . 1 1 57 57 ASN CB C 13 39.3 0.3 . 1 . . . . 57 ASN CB . 16682 1
442 . 1 1 57 57 ASN N N 15 113.2 0.3 . 1 . . . . 57 ASN N . 16682 1
443 . 1 1 57 57 ASN ND2 N 15 112.6 0.3 . 1 . . . . 57 ASN ND2 . 16682 1
444 . 1 1 58 58 GLY H H 1 7.78 0.02 . 1 . . . . 58 GLY H . 16682 1
445 . 1 1 58 58 GLY C C 13 172.0 0.3 . 1 . . . . 58 GLY C . 16682 1
446 . 1 1 58 58 GLY CA C 13 46.7 0.3 . 1 . . . . 58 GLY CA . 16682 1
447 . 1 1 58 58 GLY N N 15 106.9 0.3 . 1 . . . . 58 GLY N . 16682 1
448 . 1 1 60 60 ARG H H 1 9.09 0.02 . 1 . . . . 60 ARG H . 16682 1
449 . 1 1 60 60 ARG HA H 1 4.58 0.02 . 1 . . . . 60 ARG HA . 16682 1
450 . 1 1 60 60 ARG C C 13 174.0 0.3 . 1 . . . . 60 ARG C . 16682 1
451 . 1 1 60 60 ARG CA C 13 56.5 0.3 . 1 . . . . 60 ARG CA . 16682 1
452 . 1 1 60 60 ARG CB C 13 32.4 0.3 . 1 . . . . 60 ARG CB . 16682 1
453 . 1 1 60 60 ARG CD C 13 43.9 0.3 . 1 . . . . 60 ARG CD . 16682 1
454 . 1 1 60 60 ARG CG C 13 28.9 0.3 . 1 . . . . 60 ARG CG . 16682 1
455 . 1 1 60 60 ARG N N 15 132.8 0.3 . 1 . . . . 60 ARG N . 16682 1
456 . 1 1 61 61 LYS H H 1 8.51 0.02 . 1 . . . . 61 LYS H . 16682 1
457 . 1 1 61 61 LYS HA H 1 5.55 0.02 . 1 . . . . 61 LYS HA . 16682 1
458 . 1 1 61 61 LYS HB2 H 1 1.89 0.02 . 2 . . . . 61 LYS HB2 . 16682 1
459 . 1 1 61 61 LYS HB3 H 1 1.67 0.02 . 2 . . . . 61 LYS HB3 . 16682 1
460 . 1 1 61 61 LYS C C 13 175.9 0.3 . 1 . . . . 61 LYS C . 16682 1
461 . 1 1 61 61 LYS CA C 13 56.2 0.3 . 1 . . . . 61 LYS CA . 16682 1
462 . 1 1 61 61 LYS CB C 13 36.1 0.3 . 1 . . . . 61 LYS CB . 16682 1
463 . 1 1 61 61 LYS CD C 13 30.4 0.3 . 1 . . . . 61 LYS CD . 16682 1
464 . 1 1 61 61 LYS CE C 13 43.7 0.3 . 1 . . . . 61 LYS CE . 16682 1
465 . 1 1 61 61 LYS CG C 13 26.5 0.3 . 1 . . . . 61 LYS CG . 16682 1
466 . 1 1 61 61 LYS N N 15 125.6 0.3 . 1 . . . . 61 LYS N . 16682 1
467 . 1 1 62 62 TRP H H 1 8.16 0.02 . 1 . . . . 62 TRP H . 16682 1
468 . 1 1 62 62 TRP HA H 1 4.86 0.02 . 1 . . . . 62 TRP HA . 16682 1
469 . 1 1 62 62 TRP HD1 H 1 6.75 0.02 . 1 . . . . 62 TRP HD1 . 16682 1
470 . 1 1 62 62 TRP HE1 H 1 9.54 0.02 . 1 . . . . 62 TRP HE1 . 16682 1
471 . 1 1 62 62 TRP HZ2 H 1 6.47 0.02 . 1 . . . . 62 TRP HZ2 . 16682 1
472 . 1 1 62 62 TRP C C 13 171.9 0.3 . 1 . . . . 62 TRP C . 16682 1
473 . 1 1 62 62 TRP CA C 13 57.7 0.3 . 1 . . . . 62 TRP CA . 16682 1
474 . 1 1 62 62 TRP CB C 13 31.3 0.3 . 1 . . . . 62 TRP CB . 16682 1
475 . 1 1 62 62 TRP CD1 C 13 126.7 0.3 . 1 . . . . 62 TRP CD1 . 16682 1
476 . 1 1 62 62 TRP CZ2 C 13 115.5 0.3 . 1 . . . . 62 TRP CZ2 . 16682 1
477 . 1 1 62 62 TRP N N 15 123.1 0.3 . 1 . . . . 62 TRP N . 16682 1
478 . 1 1 62 62 TRP NE1 N 15 130.4 0.3 . 1 . . . . 62 TRP NE1 . 16682 1
479 . 1 1 63 63 GLU H H 1 8.37 0.02 . 1 . . . . 63 GLU H . 16682 1
480 . 1 1 63 63 GLU HA H 1 5.59 0.02 . 1 . . . . 63 GLU HA . 16682 1
481 . 1 1 63 63 GLU HB2 H 1 1.87 0.02 . 2 . . . . 63 GLU HB2 . 16682 1
482 . 1 1 63 63 GLU HB3 H 1 1.80 0.02 . 2 . . . . 63 GLU HB3 . 16682 1
483 . 1 1 63 63 GLU C C 13 175.5 0.3 . 1 . . . . 63 GLU C . 16682 1
484 . 1 1 63 63 GLU CA C 13 55.2 0.3 . 1 . . . . 63 GLU CA . 16682 1
485 . 1 1 63 63 GLU CB C 13 35.0 0.3 . 1 . . . . 63 GLU CB . 16682 1
486 . 1 1 63 63 GLU CG C 13 36.8 0.3 . 1 . . . . 63 GLU CG . 16682 1
487 . 1 1 63 63 GLU N N 15 116.9 0.3 . 1 . . . . 63 GLU N . 16682 1
488 . 1 1 64 64 THR H H 1 9.01 0.02 . 1 . . . . 64 THR H . 16682 1
489 . 1 1 64 64 THR HA H 1 4.50 0.02 . 1 . . . . 64 THR HA . 16682 1
490 . 1 1 64 64 THR HB H 1 3.78 0.02 . 1 . . . . 64 THR HB . 16682 1
491 . 1 1 64 64 THR HG21 H 1 0.51 0.02 . 1 . . . . 64 THR HG2 . 16682 1
492 . 1 1 64 64 THR HG22 H 1 0.51 0.02 . 1 . . . . 64 THR HG2 . 16682 1
493 . 1 1 64 64 THR HG23 H 1 0.51 0.02 . 1 . . . . 64 THR HG2 . 16682 1
494 . 1 1 64 64 THR C C 13 171.8 0.3 . 1 . . . . 64 THR C . 16682 1
495 . 1 1 64 64 THR CA C 13 63.0 0.3 . 1 . . . . 64 THR CA . 16682 1
496 . 1 1 64 64 THR CB C 13 73.8 0.3 . 1 . . . . 64 THR CB . 16682 1
497 . 1 1 64 64 THR CG2 C 13 24.7 0.3 . 1 . . . . 64 THR CG2 . 16682 1
498 . 1 1 64 64 THR N N 15 119.4 0.3 . 1 . . . . 64 THR N . 16682 1
499 . 1 1 67 67 LYS H H 1 8.98 0.02 . 1 . . . . 67 LYS H . 16682 1
500 . 1 1 67 67 LYS HA H 1 5.44 0.02 . 1 . . . . 67 LYS HA . 16682 1
501 . 1 1 67 67 LYS HB2 H 1 2.08 0.02 . 2 . . . . 67 LYS HB2 . 16682 1
502 . 1 1 67 67 LYS HB3 H 1 1.90 0.02 . 2 . . . . 67 LYS HB3 . 16682 1
503 . 1 1 67 67 LYS C C 13 176.5 0.3 . 1 . . . . 67 LYS C . 16682 1
504 . 1 1 67 67 LYS CA C 13 55.5 0.3 . 1 . . . . 67 LYS CA . 16682 1
505 . 1 1 67 67 LYS CB C 13 37.3 0.3 . 1 . . . . 67 LYS CB . 16682 1
506 . 1 1 67 67 LYS CD C 13 30.4 0.3 . 1 . . . . 67 LYS CD . 16682 1
507 . 1 1 67 67 LYS CE C 13 43.2 0.3 . 1 . . . . 67 LYS CE . 16682 1
508 . 1 1 67 67 LYS CG C 13 26.1 0.3 . 1 . . . . 67 LYS CG . 16682 1
509 . 1 1 67 67 LYS N N 15 120.6 0.3 . 1 . . . . 67 LYS N . 16682 1
510 . 1 1 68 68 LYS H H 1 9.08 0.02 . 1 . . . . 68 LYS H . 16682 1
511 . 1 1 68 68 LYS HA H 1 4.88 0.02 . 1 . . . . 68 LYS HA . 16682 1
512 . 1 1 68 68 LYS HB2 H 1 1.79 0.02 . 2 . . . . 68 LYS HB2 . 16682 1
513 . 1 1 68 68 LYS HB3 H 1 1.63 0.02 . 2 . . . . 68 LYS HB3 . 16682 1
514 . 1 1 68 68 LYS C C 13 177.4 0.3 . 1 . . . . 68 LYS C . 16682 1
515 . 1 1 68 68 LYS CA C 13 58.7 0.3 . 1 . . . . 68 LYS CA . 16682 1
516 . 1 1 68 68 LYS CB C 13 35.3 0.3 . 1 . . . . 68 LYS CB . 16682 1
517 . 1 1 68 68 LYS CD C 13 29.9 0.3 . 1 . . . . 68 LYS CD . 16682 1
518 . 1 1 68 68 LYS CE C 13 44.5 0.3 . 1 . . . . 68 LYS CE . 16682 1
519 . 1 1 68 68 LYS CG C 13 26.0 0.3 . 1 . . . . 68 LYS CG . 16682 1
520 . 1 1 68 68 LYS N N 15 129.0 0.3 . 1 . . . . 68 LYS N . 16682 1
521 . 1 1 69 69 THR H H 1 8.74 0.02 . 1 . . . . 69 THR H . 16682 1
522 . 1 1 69 69 THR HA H 1 4.71 0.02 . 1 . . . . 69 THR HA . 16682 1
523 . 1 1 69 69 THR HB H 1 2.05 0.02 . 1 . . . . 69 THR HB . 16682 1
524 . 1 1 69 69 THR HG21 H 1 1.25 0.02 . 1 . . . . 69 THR HG2 . 16682 1
525 . 1 1 69 69 THR HG22 H 1 1.25 0.02 . 1 . . . . 69 THR HG2 . 16682 1
526 . 1 1 69 69 THR HG23 H 1 1.25 0.02 . 1 . . . . 69 THR HG2 . 16682 1
527 . 1 1 69 69 THR C C 13 174.6 0.3 . 1 . . . . 69 THR C . 16682 1
528 . 1 1 69 69 THR CA C 13 61.9 0.3 . 1 . . . . 69 THR CA . 16682 1
529 . 1 1 69 69 THR CB C 13 70.8 0.3 . 1 . . . . 69 THR CB . 16682 1
530 . 1 1 69 69 THR CG2 C 13 23.9 0.3 . 1 . . . . 69 THR CG2 . 16682 1
531 . 1 1 69 69 THR N N 15 118.7 0.3 . 1 . . . . 69 THR N . 16682 1
532 . 1 1 70 70 SER H H 1 8.41 0.02 . 1 . . . . 70 SER H . 16682 1
533 . 1 1 70 70 SER HA H 1 4.51 0.02 . 1 . . . . 70 SER HA . 16682 1
534 . 1 1 70 70 SER HB2 H 1 4.03 0.02 . 2 . . . . 70 SER HB2 . 16682 1
535 . 1 1 70 70 SER HB3 H 1 3.88 0.02 . 2 . . . . 70 SER HB3 . 16682 1
536 . 1 1 70 70 SER C C 13 174.5 0.3 . 1 . . . . 70 SER C . 16682 1
537 . 1 1 70 70 SER CA C 13 59.3 0.3 . 1 . . . . 70 SER CA . 16682 1
538 . 1 1 70 70 SER CB C 13 64.4 0.3 . 1 . . . . 70 SER CB . 16682 1
539 . 1 1 70 70 SER N N 15 112.0 0.3 . 1 . . . . 70 SER N . 16682 1
540 . 1 1 71 71 ASP H H 1 7.92 0.02 . 1 . . . . 71 ASP H . 16682 1
541 . 1 1 71 71 ASP HA H 1 4.38 0.02 . 1 . . . . 71 ASP HA . 16682 1
542 . 1 1 71 71 ASP HB2 H 1 2.70 0.02 . 2 . . . . 71 ASP HB2 . 16682 1
543 . 1 1 71 71 ASP HB3 H 1 2.09 0.02 . 2 . . . . 71 ASP HB3 . 16682 1
544 . 1 1 71 71 ASP C C 13 175.6 0.3 . 1 . . . . 71 ASP C . 16682 1
545 . 1 1 71 71 ASP CA C 13 56.1 0.3 . 1 . . . . 71 ASP CA . 16682 1
546 . 1 1 71 71 ASP CB C 13 43.0 0.3 . 1 . . . . 71 ASP CB . 16682 1
547 . 1 1 71 71 ASP N N 15 121.0 0.3 . 1 . . . . 71 ASP N . 16682 1
548 . 1 1 72 72 ASP H H 1 8.49 0.02 . 1 . . . . 72 ASP H . 16682 1
549 . 1 1 72 72 ASP HA H 1 4.41 0.02 . 1 . . . . 72 ASP HA . 16682 1
550 . 1 1 72 72 ASP HB2 H 1 2.63 0.02 . 2 . . . . 72 ASP HB2 . 16682 1
551 . 1 1 72 72 ASP HB3 H 1 2.53 0.02 . 2 . . . . 72 ASP HB3 . 16682 1
552 . 1 1 72 72 ASP C C 13 175.9 0.3 . 1 . . . . 72 ASP C . 16682 1
553 . 1 1 72 72 ASP CA C 13 56.1 0.3 . 1 . . . . 72 ASP CA . 16682 1
554 . 1 1 72 72 ASP CB C 13 42.1 0.3 . 1 . . . . 72 ASP CB . 16682 1
555 . 1 1 72 72 ASP N N 15 120.9 0.3 . 1 . . . . 72 ASP N . 16682 1
556 . 1 1 73 73 GLY H H 1 8.15 0.02 . 1 . . . . 73 GLY H . 16682 1
557 . 1 1 73 73 GLY HA2 H 1 4.01 0.02 . 2 . . . . 73 GLY HA2 . 16682 1
558 . 1 1 73 73 GLY HA3 H 1 3.78 0.02 . 2 . . . . 73 GLY HA3 . 16682 1
559 . 1 1 73 73 GLY C C 13 172.8 0.3 . 1 . . . . 73 GLY C . 16682 1
560 . 1 1 73 73 GLY CA C 13 45.5 0.3 . 1 . . . . 73 GLY CA . 16682 1
561 . 1 1 73 73 GLY N N 15 109.0 0.3 . 1 . . . . 73 GLY N . 16682 1
562 . 1 1 74 74 GLU H H 1 8.74 0.02 . 1 . . . . 74 GLU H . 16682 1
563 . 1 1 74 74 GLU HA H 1 4.74 0.02 . 1 . . . . 74 GLU HA . 16682 1
564 . 1 1 74 74 GLU C C 13 173.6 0.3 . 1 . . . . 74 GLU C . 16682 1
565 . 1 1 74 74 GLU CA C 13 55.4 0.3 . 1 . . . . 74 GLU CA . 16682 1
566 . 1 1 74 74 GLU CB C 13 30.6 0.3 . 1 . . . . 74 GLU CB . 16682 1
567 . 1 1 74 74 GLU CG C 13 35.4 0.3 . 1 . . . . 74 GLU CG . 16682 1
568 . 1 1 74 74 GLU N N 15 123.6 0.3 . 1 . . . . 74 GLU N . 16682 1
569 . 1 1 75 75 VAL H H 1 7.89 0.02 . 1 . . . . 75 VAL H . 16682 1
570 . 1 1 75 75 VAL HA H 1 5.15 0.02 . 1 . . . . 75 VAL HA . 16682 1
571 . 1 1 75 75 VAL HB H 1 2.03 0.02 . 1 . . . . 75 VAL HB . 16682 1
572 . 1 1 75 75 VAL HG11 H 1 0.90 0.02 . 1 . . . . 75 VAL HG1 . 16682 1
573 . 1 1 75 75 VAL HG12 H 1 0.90 0.02 . 1 . . . . 75 VAL HG1 . 16682 1
574 . 1 1 75 75 VAL HG13 H 1 0.90 0.02 . 1 . . . . 75 VAL HG1 . 16682 1
575 . 1 1 75 75 VAL HG21 H 1 0.81 0.02 . 1 . . . . 75 VAL HG2 . 16682 1
576 . 1 1 75 75 VAL HG22 H 1 0.81 0.02 . 1 . . . . 75 VAL HG2 . 16682 1
577 . 1 1 75 75 VAL HG23 H 1 0.81 0.02 . 1 . . . . 75 VAL HG2 . 16682 1
578 . 1 1 75 75 VAL C C 13 174.1 0.3 . 1 . . . . 75 VAL C . 16682 1
579 . 1 1 75 75 VAL CA C 13 62.5 0.3 . 1 . . . . 75 VAL CA . 16682 1
580 . 1 1 75 75 VAL CB C 13 34.0 0.3 . 1 . . . . 75 VAL CB . 16682 1
581 . 1 1 75 75 VAL CG1 C 13 23.5 0.3 . 1 . . . . 75 VAL CG1 . 16682 1
582 . 1 1 75 75 VAL CG2 C 13 21.7 0.3 . 1 . . . . 75 VAL CG2 . 16682 1
583 . 1 1 75 75 VAL N N 15 123.6 0.3 . 1 . . . . 75 VAL N . 16682 1
584 . 1 1 76 76 TYR H H 1 9.30 0.02 . 1 . . . . 76 TYR H . 16682 1
585 . 1 1 76 76 TYR HA H 1 5.15 0.02 . 1 . . . . 76 TYR HA . 16682 1
586 . 1 1 76 76 TYR HB2 H 1 2.76 0.02 . 2 . . . . 76 TYR HB2 . 16682 1
587 . 1 1 76 76 TYR HB3 H 1 2.43 0.02 . 2 . . . . 76 TYR HB3 . 16682 1
588 . 1 1 76 76 TYR C C 13 174.3 0.3 . 1 . . . . 76 TYR C . 16682 1
589 . 1 1 76 76 TYR CA C 13 57.8 0.3 . 1 . . . . 76 TYR CA . 16682 1
590 . 1 1 76 76 TYR CB C 13 43.6 0.3 . 1 . . . . 76 TYR CB . 16682 1
591 . 1 1 76 76 TYR N N 15 124.9 0.3 . 1 . . . . 76 TYR N . 16682 1
592 . 1 1 77 77 TYR H H 1 9.50 0.02 . 1 . . . . 77 TYR H . 16682 1
593 . 1 1 77 77 TYR HA H 1 5.86 0.02 . 1 . . . . 77 TYR HA . 16682 1
594 . 1 1 77 77 TYR C C 13 174.6 0.3 . 1 . . . . 77 TYR C . 16682 1
595 . 1 1 77 77 TYR CA C 13 58.0 0.3 . 1 . . . . 77 TYR CA . 16682 1
596 . 1 1 77 77 TYR CB C 13 44.6 0.3 . 1 . . . . 77 TYR CB . 16682 1
597 . 1 1 77 77 TYR N N 15 121.0 0.3 . 1 . . . . 77 TYR N . 16682 1
598 . 1 1 78 78 SER H H 1 8.73 0.02 . 1 . . . . 78 SER H . 16682 1
599 . 1 1 78 78 SER HA H 1 4.82 0.02 . 1 . . . . 78 SER HA . 16682 1
600 . 1 1 78 78 SER C C 13 174.3 0.3 . 1 . . . . 78 SER C . 16682 1
601 . 1 1 78 78 SER CA C 13 55.6 0.3 . 1 . . . . 78 SER CA . 16682 1
602 . 1 1 78 78 SER CB C 13 64.8 0.3 . 1 . . . . 78 SER CB . 16682 1
603 . 1 1 78 78 SER N N 15 125.2 0.3 . 1 . . . . 78 SER N . 16682 1
604 . 1 1 79 79 GLU H H 1 8.75 0.02 . 1 . . . . 79 GLU H . 16682 1
605 . 1 1 79 79 GLU HA H 1 3.98 0.02 . 1 . . . . 79 GLU HA . 16682 1
606 . 1 1 79 79 GLU HB2 H 1 2.11 0.02 . 2 . . . . 79 GLU HB2 . 16682 1
607 . 1 1 79 79 GLU HB3 H 1 2.03 0.02 . 2 . . . . 79 GLU HB3 . 16682 1
608 . 1 1 79 79 GLU HG2 H 1 2.42 0.02 . 2 . . . . 79 GLU HG2 . 16682 1
609 . 1 1 79 79 GLU HG3 H 1 2.35 0.02 . 2 . . . . 79 GLU HG3 . 16682 1
610 . 1 1 79 79 GLU C C 13 178.6 0.3 . 1 . . . . 79 GLU C . 16682 1
611 . 1 1 79 79 GLU CA C 13 60.1 0.3 . 1 . . . . 79 GLU CA . 16682 1
612 . 1 1 79 79 GLU CB C 13 30.5 0.3 . 1 . . . . 79 GLU CB . 16682 1
613 . 1 1 79 79 GLU CG C 13 36.7 0.3 . 1 . . . . 79 GLU CG . 16682 1
614 . 1 1 79 79 GLU N N 15 130.2 0.3 . 1 . . . . 79 GLU N . 16682 1
615 . 1 1 80 80 GLU H H 1 8.49 0.02 . 1 . . . . 80 GLU H . 16682 1
616 . 1 1 80 80 GLU HA H 1 4.00 0.02 . 1 . . . . 80 GLU HA . 16682 1
617 . 1 1 80 80 GLU C C 13 177.7 0.3 . 1 . . . . 80 GLU C . 16682 1
618 . 1 1 80 80 GLU CA C 13 60.0 0.3 . 1 . . . . 80 GLU CA . 16682 1
619 . 1 1 80 80 GLU CB C 13 30.5 0.3 . 1 . . . . 80 GLU CB . 16682 1
620 . 1 1 80 80 GLU CG C 13 37.2 0.3 . 1 . . . . 80 GLU CG . 16682 1
621 . 1 1 80 80 GLU N N 15 118.8 0.3 . 1 . . . . 80 GLU N . 16682 1
622 . 1 1 81 81 ALA H H 1 7.42 0.02 . 1 . . . . 81 ALA H . 16682 1
623 . 1 1 81 81 ALA HA H 1 4.33 0.02 . 1 . . . . 81 ALA HA . 16682 1
624 . 1 1 81 81 ALA HB1 H 1 1.35 0.02 . 1 . . . . 81 ALA HB . 16682 1
625 . 1 1 81 81 ALA HB2 H 1 1.35 0.02 . 1 . . . . 81 ALA HB . 16682 1
626 . 1 1 81 81 ALA HB3 H 1 1.35 0.02 . 1 . . . . 81 ALA HB . 16682 1
627 . 1 1 81 81 ALA C C 13 176.0 0.3 . 1 . . . . 81 ALA C . 16682 1
628 . 1 1 81 81 ALA CA C 13 52.4 0.3 . 1 . . . . 81 ALA CA . 16682 1
629 . 1 1 81 81 ALA CB C 13 20.8 0.3 . 1 . . . . 81 ALA CB . 16682 1
630 . 1 1 81 81 ALA N N 15 117.8 0.3 . 1 . . . . 81 ALA N . 16682 1
631 . 1 1 82 82 LYS H H 1 7.87 0.02 . 1 . . . . 82 LYS H . 16682 1
632 . 1 1 82 82 LYS HA H 1 3.89 0.02 . 1 . . . . 82 LYS HA . 16682 1
633 . 1 1 82 82 LYS C C 13 175.1 0.3 . 1 . . . . 82 LYS C . 16682 1
634 . 1 1 82 82 LYS CA C 13 57.2 0.3 . 1 . . . . 82 LYS CA . 16682 1
635 . 1 1 82 82 LYS CB C 13 30.3 0.3 . 1 . . . . 82 LYS CB . 16682 1
636 . 1 1 82 82 LYS CE C 13 43.6 0.3 . 1 . . . . 82 LYS CE . 16682 1
637 . 1 1 82 82 LYS N N 15 118.0 0.3 . 1 . . . . 82 LYS N . 16682 1
638 . 1 1 83 83 LYS H H 1 7.17 0.02 . 1 . . . . 83 LYS H . 16682 1
639 . 1 1 83 83 LYS HA H 1 5.49 0.02 . 1 . . . . 83 LYS HA . 16682 1
640 . 1 1 83 83 LYS HB2 H 1 1.76 0.02 . 2 . . . . 83 LYS HB2 . 16682 1
641 . 1 1 83 83 LYS HB3 H 1 1.64 0.02 . 2 . . . . 83 LYS HB3 . 16682 1
642 . 1 1 83 83 LYS C C 13 172.4 0.3 . 1 . . . . 83 LYS C . 16682 1
643 . 1 1 83 83 LYS CA C 13 55.5 0.3 . 1 . . . . 83 LYS CA . 16682 1
644 . 1 1 83 83 LYS CB C 13 39.2 0.3 . 1 . . . . 83 LYS CB . 16682 1
645 . 1 1 83 83 LYS N N 15 117.6 0.3 . 1 . . . . 83 LYS N . 16682 1
646 . 1 1 84 84 LYS H H 1 9.39 0.02 . 1 . . . . 84 LYS H . 16682 1
647 . 1 1 84 84 LYS HA H 1 5.76 0.02 . 1 . . . . 84 LYS HA . 16682 1
648 . 1 1 84 84 LYS C C 13 174.9 0.3 . 1 . . . . 84 LYS C . 16682 1
649 . 1 1 84 84 LYS CA C 13 55.4 0.3 . 1 . . . . 84 LYS CA . 16682 1
650 . 1 1 84 84 LYS CB C 13 38.3 0.3 . 1 . . . . 84 LYS CB . 16682 1
651 . 1 1 84 84 LYS CD C 13 30.7 0.3 . 1 . . . . 84 LYS CD . 16682 1
652 . 1 1 84 84 LYS CE C 13 43.2 0.3 . 1 . . . . 84 LYS CE . 16682 1
653 . 1 1 84 84 LYS CG C 13 26.6 0.3 . 1 . . . . 84 LYS CG . 16682 1
654 . 1 1 84 84 LYS N N 15 128.9 0.3 . 1 . . . . 84 LYS N . 16682 1
655 . 1 1 85 85 VAL H H 1 9.27 0.02 . 1 . . . . 85 VAL H . 16682 1
656 . 1 1 85 85 VAL HA H 1 4.77 0.02 . 1 . . . . 85 VAL HA . 16682 1
657 . 1 1 85 85 VAL HB H 1 1.54 0.02 . 1 . . . . 85 VAL HB . 16682 1
658 . 1 1 85 85 VAL HG11 H 1 0.69 0.02 . 1 . . . . 85 VAL HG1 . 16682 1
659 . 1 1 85 85 VAL HG12 H 1 0.69 0.02 . 1 . . . . 85 VAL HG1 . 16682 1
660 . 1 1 85 85 VAL HG13 H 1 0.69 0.02 . 1 . . . . 85 VAL HG1 . 16682 1
661 . 1 1 85 85 VAL HG21 H 1 0.43 0.02 . 1 . . . . 85 VAL HG2 . 16682 1
662 . 1 1 85 85 VAL HG22 H 1 0.43 0.02 . 1 . . . . 85 VAL HG2 . 16682 1
663 . 1 1 85 85 VAL HG23 H 1 0.43 0.02 . 1 . . . . 85 VAL HG2 . 16682 1
664 . 1 1 85 85 VAL C C 13 173.0 0.3 . 1 . . . . 85 VAL C . 16682 1
665 . 1 1 85 85 VAL CA C 13 61.4 0.3 . 1 . . . . 85 VAL CA . 16682 1
666 . 1 1 85 85 VAL CB C 13 36.9 0.3 . 1 . . . . 85 VAL CB . 16682 1
667 . 1 1 85 85 VAL CG1 C 13 22.7 0.3 . 1 . . . . 85 VAL CG1 . 16682 1
668 . 1 1 85 85 VAL CG2 C 13 20.6 0.3 . 1 . . . . 85 VAL CG2 . 16682 1
669 . 1 1 85 85 VAL N N 15 121.9 0.3 . 1 . . . . 85 VAL N . 16682 1
670 . 1 1 86 86 GLU H H 1 8.64 0.02 . 1 . . . . 86 GLU H . 16682 1
671 . 1 1 86 86 GLU HA H 1 5.42 0.02 . 1 . . . . 86 GLU HA . 16682 1
672 . 1 1 86 86 GLU HB2 H 1 2.18 0.02 . 2 . . . . 86 GLU HB2 . 16682 1
673 . 1 1 86 86 GLU HB3 H 1 2.04 0.02 . 2 . . . . 86 GLU HB3 . 16682 1
674 . 1 1 86 86 GLU C C 13 175.8 0.3 . 1 . . . . 86 GLU C . 16682 1
675 . 1 1 86 86 GLU CA C 13 54.7 0.3 . 1 . . . . 86 GLU CA . 16682 1
676 . 1 1 86 86 GLU CB C 13 33.7 0.3 . 1 . . . . 86 GLU CB . 16682 1
677 . 1 1 86 86 GLU CG C 13 37.4 0.3 . 1 . . . . 86 GLU CG . 16682 1
678 . 1 1 86 86 GLU N N 15 123.9 0.3 . 1 . . . . 86 GLU N . 16682 1
679 . 1 1 87 87 VAL H H 1 8.71 0.02 . 1 . . . . 87 VAL H . 16682 1
680 . 1 1 87 87 VAL HA H 1 4.09 0.02 . 1 . . . . 87 VAL HA . 16682 1
681 . 1 1 87 87 VAL HB H 1 2.24 0.02 . 1 . . . . 87 VAL HB . 16682 1
682 . 1 1 87 87 VAL HG11 H 1 0.75 0.02 . 1 . . . . 87 VAL HG1 . 16682 1
683 . 1 1 87 87 VAL HG12 H 1 0.75 0.02 . 1 . . . . 87 VAL HG1 . 16682 1
684 . 1 1 87 87 VAL HG13 H 1 0.75 0.02 . 1 . . . . 87 VAL HG1 . 16682 1
685 . 1 1 87 87 VAL HG21 H 1 0.59 0.02 . 1 . . . . 87 VAL HG2 . 16682 1
686 . 1 1 87 87 VAL HG22 H 1 0.59 0.02 . 1 . . . . 87 VAL HG2 . 16682 1
687 . 1 1 87 87 VAL HG23 H 1 0.59 0.02 . 1 . . . . 87 VAL HG2 . 16682 1
688 . 1 1 87 87 VAL C C 13 176.0 0.3 . 1 . . . . 87 VAL C . 16682 1
689 . 1 1 87 87 VAL CA C 13 63.0 0.3 . 1 . . . . 87 VAL CA . 16682 1
690 . 1 1 87 87 VAL CB C 13 31.6 0.3 . 1 . . . . 87 VAL CB . 16682 1
691 . 1 1 87 87 VAL CG1 C 13 21.5 0.3 . 1 . . . . 87 VAL CG1 . 16682 1
692 . 1 1 87 87 VAL CG2 C 13 21.9 0.3 . 1 . . . . 87 VAL CG2 . 16682 1
693 . 1 1 87 87 VAL N N 15 125.6 0.3 . 1 . . . . 87 VAL N . 16682 1
694 . 1 1 88 88 LEU H H 1 8.90 0.02 . 1 . . . . 88 LEU H . 16682 1
695 . 1 1 88 88 LEU HA H 1 4.20 0.02 . 1 . . . . 88 LEU HA . 16682 1
696 . 1 1 88 88 LEU HD11 H 1 0.77 0.02 . 1 . . . . 88 LEU HD1 . 16682 1
697 . 1 1 88 88 LEU HD12 H 1 0.77 0.02 . 1 . . . . 88 LEU HD1 . 16682 1
698 . 1 1 88 88 LEU HD13 H 1 0.77 0.02 . 1 . . . . 88 LEU HD1 . 16682 1
699 . 1 1 88 88 LEU HD21 H 1 0.71 0.02 . 1 . . . . 88 LEU HD2 . 16682 1
700 . 1 1 88 88 LEU HD22 H 1 0.71 0.02 . 1 . . . . 88 LEU HD2 . 16682 1
701 . 1 1 88 88 LEU HD23 H 1 0.71 0.02 . 1 . . . . 88 LEU HD2 . 16682 1
702 . 1 1 88 88 LEU C C 13 177.2 0.3 . 1 . . . . 88 LEU C . 16682 1
703 . 1 1 88 88 LEU CA C 13 57.0 0.3 . 1 . . . . 88 LEU CA . 16682 1
704 . 1 1 88 88 LEU CB C 13 43.9 0.3 . 1 . . . . 88 LEU CB . 16682 1
705 . 1 1 88 88 LEU CD1 C 13 27.2 0.3 . 1 . . . . 88 LEU CD1 . 16682 1
706 . 1 1 88 88 LEU CD2 C 13 22.7 0.3 . 1 . . . . 88 LEU CD2 . 16682 1
707 . 1 1 88 88 LEU N N 15 129.0 0.3 . 1 . . . . 88 LEU N . 16682 1
708 . 1 1 89 89 ASP H H 1 7.10 0.02 . 1 . . . . 89 ASP H . 16682 1
709 . 1 1 89 89 ASP HA H 1 4.74 0.02 . 1 . . . . 89 ASP HA . 16682 1
710 . 1 1 89 89 ASP HB2 H 1 2.81 0.02 . 2 . . . . 89 ASP HB2 . 16682 1
711 . 1 1 89 89 ASP HB3 H 1 2.15 0.02 . 2 . . . . 89 ASP HB3 . 16682 1
712 . 1 1 89 89 ASP C C 13 173.9 0.3 . 1 . . . . 89 ASP C . 16682 1
713 . 1 1 89 89 ASP CA C 13 55.9 0.3 . 1 . . . . 89 ASP CA . 16682 1
714 . 1 1 89 89 ASP CB C 13 46.0 0.3 . 1 . . . . 89 ASP CB . 16682 1
715 . 1 1 89 89 ASP N N 15 113.2 0.3 . 1 . . . . 89 ASP N . 16682 1
716 . 1 1 90 90 THR H H 1 8.09 0.02 . 1 . . . . 90 THR H . 16682 1
717 . 1 1 90 90 THR HA H 1 4.02 0.02 . 1 . . . . 90 THR HA . 16682 1
718 . 1 1 90 90 THR HB H 1 3.94 0.02 . 1 . . . . 90 THR HB . 16682 1
719 . 1 1 90 90 THR HG21 H 1 0.20 0.02 . 1 . . . . 90 THR HG2 . 16682 1
720 . 1 1 90 90 THR HG22 H 1 0.20 0.02 . 1 . . . . 90 THR HG2 . 16682 1
721 . 1 1 90 90 THR HG23 H 1 0.20 0.02 . 1 . . . . 90 THR HG2 . 16682 1
722 . 1 1 90 90 THR C C 13 169.8 0.3 . 1 . . . . 90 THR C . 16682 1
723 . 1 1 90 90 THR CA C 13 61.5 0.3 . 1 . . . . 90 THR CA . 16682 1
724 . 1 1 90 90 THR CB C 13 69.2 0.3 . 1 . . . . 90 THR CB . 16682 1
725 . 1 1 90 90 THR CG2 C 13 17.9 0.3 . 1 . . . . 90 THR CG2 . 16682 1
726 . 1 1 90 90 THR N N 15 119.4 0.3 . 1 . . . . 90 THR N . 16682 1
727 . 1 1 91 91 ASP H H 1 6.87 0.02 . 1 . . . . 91 ASP H . 16682 1
728 . 1 1 91 91 ASP HA H 1 4.70 0.02 . 1 . . . . 91 ASP HA . 16682 1
729 . 1 1 91 91 ASP HB2 H 1 3.16 0.02 . 2 . . . . 91 ASP HB2 . 16682 1
730 . 1 1 91 91 ASP HB3 H 1 2.54 0.02 . 2 . . . . 91 ASP HB3 . 16682 1
731 . 1 1 91 91 ASP C C 13 176.8 0.3 . 1 . . . . 91 ASP C . 16682 1
732 . 1 1 91 91 ASP CA C 13 53.9 0.3 . 1 . . . . 91 ASP CA . 16682 1
733 . 1 1 91 91 ASP CB C 13 41.9 0.3 . 1 . . . . 91 ASP CB . 16682 1
734 . 1 1 91 91 ASP N N 15 123.4 0.3 . 1 . . . . 91 ASP N . 16682 1
735 . 1 1 96 96 ALA H H 1 9.19 0.02 . 1 . . . . 96 ALA H . 16682 1
736 . 1 1 96 96 ALA HA H 1 4.55 0.02 . 1 . . . . 96 ALA HA . 16682 1
737 . 1 1 96 96 ALA HB1 H 1 0.52 0.02 . 1 . . . . 96 ALA HB . 16682 1
738 . 1 1 96 96 ALA HB2 H 1 0.52 0.02 . 1 . . . . 96 ALA HB . 16682 1
739 . 1 1 96 96 ALA HB3 H 1 0.52 0.02 . 1 . . . . 96 ALA HB . 16682 1
740 . 1 1 96 96 ALA C C 13 174.7 0.3 . 1 . . . . 96 ALA C . 16682 1
741 . 1 1 96 96 ALA CA C 13 53.5 0.3 . 1 . . . . 96 ALA CA . 16682 1
742 . 1 1 96 96 ALA CB C 13 21.3 0.3 . 1 . . . . 96 ALA CB . 16682 1
743 . 1 1 96 96 ALA N N 15 122.7 0.3 . 1 . . . . 96 ALA N . 16682 1
744 . 1 1 97 97 VAL H H 1 9.15 0.02 . 1 . . . . 97 VAL H . 16682 1
745 . 1 1 97 97 VAL HA H 1 4.73 0.02 . 1 . . . . 97 VAL HA . 16682 1
746 . 1 1 97 97 VAL HB H 1 2.01 0.02 . 1 . . . . 97 VAL HB . 16682 1
747 . 1 1 97 97 VAL HG11 H 1 1.14 0.02 . 1 . . . . 97 VAL HG1 . 16682 1
748 . 1 1 97 97 VAL HG12 H 1 1.14 0.02 . 1 . . . . 97 VAL HG1 . 16682 1
749 . 1 1 97 97 VAL HG13 H 1 1.14 0.02 . 1 . . . . 97 VAL HG1 . 16682 1
750 . 1 1 97 97 VAL HG21 H 1 0.82 0.02 . 1 . . . . 97 VAL HG2 . 16682 1
751 . 1 1 97 97 VAL HG22 H 1 0.82 0.02 . 1 . . . . 97 VAL HG2 . 16682 1
752 . 1 1 97 97 VAL HG23 H 1 0.82 0.02 . 1 . . . . 97 VAL HG2 . 16682 1
753 . 1 1 97 97 VAL C C 13 174.3 0.3 . 1 . . . . 97 VAL C . 16682 1
754 . 1 1 97 97 VAL CA C 13 63.2 0.3 . 1 . . . . 97 VAL CA . 16682 1
755 . 1 1 97 97 VAL CB C 13 33.6 0.3 . 1 . . . . 97 VAL CB . 16682 1
756 . 1 1 97 97 VAL CG1 C 13 22.4 0.3 . 1 . . . . 97 VAL CG1 . 16682 1
757 . 1 1 97 97 VAL CG2 C 13 23.9 0.3 . 1 . . . . 97 VAL CG2 . 16682 1
758 . 1 1 97 97 VAL N N 15 121.5 0.3 . 1 . . . . 97 VAL N . 16682 1
759 . 1 1 98 98 ILE H H 1 9.04 0.02 . 1 . . . . 98 ILE H . 16682 1
760 . 1 1 98 98 ILE HA H 1 4.93 0.02 . 1 . . . . 98 ILE HA . 16682 1
761 . 1 1 98 98 ILE HB H 1 2.18 0.02 . 1 . . . . 98 ILE HB . 16682 1
762 . 1 1 98 98 ILE HD11 H 1 0.02 0.02 . 1 . . . . 98 ILE HD1 . 16682 1
763 . 1 1 98 98 ILE HD12 H 1 0.02 0.02 . 1 . . . . 98 ILE HD1 . 16682 1
764 . 1 1 98 98 ILE HD13 H 1 0.02 0.02 . 1 . . . . 98 ILE HD1 . 16682 1
765 . 1 1 98 98 ILE HG21 H 1 0.69 0.02 . 1 . . . . 98 ILE HG2 . 16682 1
766 . 1 1 98 98 ILE HG22 H 1 0.69 0.02 . 1 . . . . 98 ILE HG2 . 16682 1
767 . 1 1 98 98 ILE HG23 H 1 0.69 0.02 . 1 . . . . 98 ILE HG2 . 16682 1
768 . 1 1 98 98 ILE C C 13 174.0 0.3 . 1 . . . . 98 ILE C . 16682 1
769 . 1 1 98 98 ILE CA C 13 59.2 0.3 . 1 . . . . 98 ILE CA . 16682 1
770 . 1 1 98 98 ILE CB C 13 42.7 0.3 . 1 . . . . 98 ILE CB . 16682 1
771 . 1 1 98 98 ILE CD1 C 13 12.4 0.3 . 1 . . . . 98 ILE CD1 . 16682 1
772 . 1 1 98 98 ILE CG1 C 13 31.0 0.3 . 1 . . . . 98 ILE CG1 . 16682 1
773 . 1 1 98 98 ILE CG2 C 13 19.3 0.3 . 1 . . . . 98 ILE CG2 . 16682 1
774 . 1 1 98 98 ILE N N 15 130.0 0.3 . 1 . . . . 98 ILE N . 16682 1
775 . 1 1 99 99 TYR H H 1 9.44 0.02 . 1 . . . . 99 TYR H . 16682 1
776 . 1 1 99 99 TYR HA H 1 5.26 0.02 . 1 . . . . 99 TYR HA . 16682 1
777 . 1 1 99 99 TYR HB2 H 1 3.09 0.02 . 2 . . . . 99 TYR HB2 . 16682 1
778 . 1 1 99 99 TYR HB3 H 1 2.77 0.02 . 2 . . . . 99 TYR HB3 . 16682 1
779 . 1 1 99 99 TYR HD1 H 1 7.17 0.02 . 1 . . . . 99 TYR HD1 . 16682 1
780 . 1 1 99 99 TYR C C 13 173.7 0.3 . 1 . . . . 99 TYR C . 16682 1
781 . 1 1 99 99 TYR CA C 13 57.7 0.3 . 1 . . . . 99 TYR CA . 16682 1
782 . 1 1 99 99 TYR CB C 13 42.0 0.3 . 1 . . . . 99 TYR CB . 16682 1
783 . 1 1 99 99 TYR CD1 C 13 133.0 0.3 . 1 . . . . 99 TYR CD1 . 16682 1
784 . 1 1 99 99 TYR CE1 C 13 117.7 0.3 . 1 . . . . 99 TYR CE1 . 16682 1
785 . 1 1 99 99 TYR N N 15 128.0 0.3 . 1 . . . . 99 TYR N . 16682 1
786 . 1 1 100 100 ALA H H 1 9.37 0.02 . 1 . . . . 100 ALA H . 16682 1
787 . 1 1 100 100 ALA HA H 1 5.69 0.02 . 1 . . . . 100 ALA HA . 16682 1
788 . 1 1 100 100 ALA HB1 H 1 1.45 0.02 . 1 . . . . 100 ALA HB . 16682 1
789 . 1 1 100 100 ALA HB2 H 1 1.45 0.02 . 1 . . . . 100 ALA HB . 16682 1
790 . 1 1 100 100 ALA HB3 H 1 1.45 0.02 . 1 . . . . 100 ALA HB . 16682 1
791 . 1 1 100 100 ALA C C 13 175.5 0.3 . 1 . . . . 100 ALA C . 16682 1
792 . 1 1 100 100 ALA CA C 13 51.3 0.3 . 1 . . . . 100 ALA CA . 16682 1
793 . 1 1 100 100 ALA CB C 13 24.6 0.3 . 1 . . . . 100 ALA CB . 16682 1
794 . 1 1 100 100 ALA N N 15 134.0 0.3 . 1 . . . . 100 ALA N . 16682 1
795 . 1 1 101 101 THR H H 1 9.21 0.02 . 1 . . . . 101 THR H . 16682 1
796 . 1 1 101 101 THR HA H 1 5.44 0.02 . 1 . . . . 101 THR HA . 16682 1
797 . 1 1 101 101 THR HB H 1 3.99 0.02 . 1 . . . . 101 THR HB . 16682 1
798 . 1 1 101 101 THR HG21 H 1 1.03 0.02 . 1 . . . . 101 THR HG2 . 16682 1
799 . 1 1 101 101 THR HG22 H 1 1.03 0.02 . 1 . . . . 101 THR HG2 . 16682 1
800 . 1 1 101 101 THR HG23 H 1 1.03 0.02 . 1 . . . . 101 THR HG2 . 16682 1
801 . 1 1 101 101 THR C C 13 173.6 0.3 . 1 . . . . 101 THR C . 16682 1
802 . 1 1 101 101 THR CA C 13 62.0 0.3 . 1 . . . . 101 THR CA . 16682 1
803 . 1 1 101 101 THR CB C 13 73.0 0.3 . 1 . . . . 101 THR CB . 16682 1
804 . 1 1 101 101 THR CG2 C 13 22.5 0.3 . 1 . . . . 101 THR CG2 . 16682 1
805 . 1 1 101 101 THR N N 15 115.5 0.3 . 1 . . . . 101 THR N . 16682 1
806 . 1 1 102 102 ARG H H 1 8.97 0.02 . 1 . . . . 102 ARG H . 16682 1
807 . 1 1 102 102 ARG HA H 1 4.40 0.02 . 1 . . . . 102 ARG HA . 16682 1
808 . 1 1 102 102 ARG C C 13 173.9 0.3 . 1 . . . . 102 ARG C . 16682 1
809 . 1 1 102 102 ARG CA C 13 55.5 0.3 . 1 . . . . 102 ARG CA . 16682 1
810 . 1 1 102 102 ARG CB C 13 36.5 0.3 . 1 . . . . 102 ARG CB . 16682 1
811 . 1 1 102 102 ARG CD C 13 44.8 0.3 . 1 . . . . 102 ARG CD . 16682 1
812 . 1 1 102 102 ARG CG C 13 27.6 0.3 . 1 . . . . 102 ARG CG . 16682 1
813 . 1 1 102 102 ARG N N 15 125.9 0.3 . 1 . . . . 102 ARG N . 16682 1
814 . 1 1 103 103 VAL H H 1 7.72 0.02 . 1 . . . . 103 VAL H . 16682 1
815 . 1 1 103 103 VAL HA H 1 4.74 0.02 . 1 . . . . 103 VAL HA . 16682 1
816 . 1 1 103 103 VAL HB H 1 1.90 0.02 . 1 . . . . 103 VAL HB . 16682 1
817 . 1 1 103 103 VAL HG11 H 1 0.92 0.02 . 1 . . . . 103 VAL HG1 . 16682 1
818 . 1 1 103 103 VAL HG12 H 1 0.92 0.02 . 1 . . . . 103 VAL HG1 . 16682 1
819 . 1 1 103 103 VAL HG13 H 1 0.92 0.02 . 1 . . . . 103 VAL HG1 . 16682 1
820 . 1 1 103 103 VAL HG21 H 1 0.69 0.02 . 1 . . . . 103 VAL HG2 . 16682 1
821 . 1 1 103 103 VAL HG22 H 1 0.69 0.02 . 1 . . . . 103 VAL HG2 . 16682 1
822 . 1 1 103 103 VAL HG23 H 1 0.69 0.02 . 1 . . . . 103 VAL HG2 . 16682 1
823 . 1 1 103 103 VAL C C 13 175.7 0.3 . 1 . . . . 103 VAL C . 16682 1
824 . 1 1 103 103 VAL CA C 13 62.4 0.3 . 1 . . . . 103 VAL CA . 16682 1
825 . 1 1 103 103 VAL CB C 13 33.4 0.3 . 1 . . . . 103 VAL CB . 16682 1
826 . 1 1 103 103 VAL CG1 C 13 22.1 0.3 . 1 . . . . 103 VAL CG1 . 16682 1
827 . 1 1 103 103 VAL CG2 C 13 21.7 0.3 . 1 . . . . 103 VAL CG2 . 16682 1
828 . 1 1 103 103 VAL N N 15 123.2 0.3 . 1 . . . . 103 VAL N . 16682 1
829 . 1 1 104 104 LYS H H 1 8.99 0.02 . 1 . . . . 104 LYS H . 16682 1
830 . 1 1 104 104 LYS HA H 1 4.46 0.02 . 1 . . . . 104 LYS HA . 16682 1
831 . 1 1 104 104 LYS C C 13 175.4 0.3 . 1 . . . . 104 LYS C . 16682 1
832 . 1 1 104 104 LYS CA C 13 56.0 0.3 . 1 . . . . 104 LYS CA . 16682 1
833 . 1 1 104 104 LYS CB C 13 36.4 0.3 . 1 . . . . 104 LYS CB . 16682 1
834 . 1 1 104 104 LYS N N 15 130.5 0.3 . 1 . . . . 104 LYS N . 16682 1
835 . 1 1 106 106 GLY H H 1 8.32 0.02 . 1 . . . . 106 GLY H . 16682 1
836 . 1 1 106 106 GLY HA2 H 1 4.08 0.02 . 2 . . . . 106 GLY HA2 . 16682 1
837 . 1 1 106 106 GLY HA3 H 1 3.52 0.02 . 2 . . . . 106 GLY HA3 . 16682 1
838 . 1 1 106 106 GLY CA C 13 46.4 0.3 . 1 . . . . 106 GLY CA . 16682 1
839 . 1 1 106 106 GLY N N 15 134.6 0.3 . 1 . . . . 106 GLY N . 16682 1
840 . 1 1 107 107 ARG H H 1 7.86 0.02 . 1 . . . . 107 ARG H . 16682 1
841 . 1 1 107 107 ARG HA H 1 4.65 0.02 . 1 . . . . 107 ARG HA . 16682 1
842 . 1 1 107 107 ARG C C 13 174.5 0.3 . 1 . . . . 107 ARG C . 16682 1
843 . 1 1 107 107 ARG CA C 13 55.4 0.3 . 1 . . . . 107 ARG CA . 16682 1
844 . 1 1 107 107 ARG CB C 13 33.2 0.3 . 1 . . . . 107 ARG CB . 16682 1
845 . 1 1 107 107 ARG CD C 13 44.3 0.3 . 1 . . . . 107 ARG CD . 16682 1
846 . 1 1 107 107 ARG CG C 13 28.0 0.3 . 1 . . . . 107 ARG CG . 16682 1
847 . 1 1 107 107 ARG N N 15 121.4 0.3 . 1 . . . . 107 ARG N . 16682 1
848 . 1 1 108 108 THR H H 1 8.68 0.02 . 1 . . . . 108 THR H . 16682 1
849 . 1 1 108 108 THR HA H 1 4.40 0.02 . 1 . . . . 108 THR HA . 16682 1
850 . 1 1 108 108 THR HB H 1 3.94 0.02 . 1 . . . . 108 THR HB . 16682 1
851 . 1 1 108 108 THR HG21 H 1 0.84 0.02 . 1 . . . . 108 THR HG2 . 16682 1
852 . 1 1 108 108 THR HG22 H 1 0.84 0.02 . 1 . . . . 108 THR HG2 . 16682 1
853 . 1 1 108 108 THR HG23 H 1 0.84 0.02 . 1 . . . . 108 THR HG2 . 16682 1
854 . 1 1 108 108 THR C C 13 173.4 0.3 . 1 . . . . 108 THR C . 16682 1
855 . 1 1 108 108 THR CA C 13 64.1 0.3 . 1 . . . . 108 THR CA . 16682 1
856 . 1 1 108 108 THR CB C 13 69.6 0.3 . 1 . . . . 108 THR CB . 16682 1
857 . 1 1 108 108 THR CG2 C 13 23.3 0.3 . 1 . . . . 108 THR CG2 . 16682 1
858 . 1 1 108 108 THR N N 15 119.2 0.3 . 1 . . . . 108 THR N . 16682 1
859 . 1 1 109 109 LEU H H 1 9.27 0.02 . 1 . . . . 109 LEU H . 16682 1
860 . 1 1 109 109 LEU HA H 1 4.68 0.02 . 1 . . . . 109 LEU HA . 16682 1
861 . 1 1 109 109 LEU HB2 H 1 1.72 0.02 . 2 . . . . 109 LEU HB2 . 16682 1
862 . 1 1 109 109 LEU HB3 H 1 1.66 0.02 . 2 . . . . 109 LEU HB3 . 16682 1
863 . 1 1 109 109 LEU HD11 H 1 0.85 0.02 . 1 . . . . 109 LEU HD1 . 16682 1
864 . 1 1 109 109 LEU HD12 H 1 0.85 0.02 . 1 . . . . 109 LEU HD1 . 16682 1
865 . 1 1 109 109 LEU HD13 H 1 0.85 0.02 . 1 . . . . 109 LEU HD1 . 16682 1
866 . 1 1 109 109 LEU HD21 H 1 0.57 0.02 . 1 . . . . 109 LEU HD2 . 16682 1
867 . 1 1 109 109 LEU HD22 H 1 0.57 0.02 . 1 . . . . 109 LEU HD2 . 16682 1
868 . 1 1 109 109 LEU HD23 H 1 0.57 0.02 . 1 . . . . 109 LEU HD2 . 16682 1
869 . 1 1 109 109 LEU HG H 1 1.51 0.02 . 1 . . . . 109 LEU HG . 16682 1
870 . 1 1 109 109 LEU C C 13 175.7 0.3 . 1 . . . . 109 LEU C . 16682 1
871 . 1 1 109 109 LEU CA C 13 54.3 0.3 . 1 . . . . 109 LEU CA . 16682 1
872 . 1 1 109 109 LEU CB C 13 45.7 0.3 . 1 . . . . 109 LEU CB . 16682 1
873 . 1 1 109 109 LEU CD1 C 13 23.9 0.3 . 1 . . . . 109 LEU CD1 . 16682 1
874 . 1 1 109 109 LEU CD2 C 13 26.3 0.3 . 1 . . . . 109 LEU CD2 . 16682 1
875 . 1 1 109 109 LEU CG C 13 28.2 0.3 . 1 . . . . 109 LEU CG . 16682 1
876 . 1 1 109 109 LEU N N 15 129.6 0.3 . 1 . . . . 109 LEU N . 16682 1
877 . 1 1 110 110 HIS H H 1 8.46 0.02 . 1 . . . . 110 HIS H . 16682 1
878 . 1 1 110 110 HIS HA H 1 5.89 0.02 . 1 . . . . 110 HIS HA . 16682 1
879 . 1 1 110 110 HIS HB2 H 1 3.07 0.02 . 2 . . . . 110 HIS HB2 . 16682 1
880 . 1 1 110 110 HIS HB3 H 1 2.95 0.02 . 2 . . . . 110 HIS HB3 . 16682 1
881 . 1 1 110 110 HIS C C 13 175.3 0.3 . 1 . . . . 110 HIS C . 16682 1
882 . 1 1 110 110 HIS CA C 13 55.3 0.3 . 1 . . . . 110 HIS CA . 16682 1
883 . 1 1 110 110 HIS CB C 13 34.5 0.3 . 1 . . . . 110 HIS CB . 16682 1
884 . 1 1 110 110 HIS N N 15 116.8 0.3 . 1 . . . . 110 HIS N . 16682 1
885 . 1 1 111 111 MET H H 1 9.22 0.02 . 1 . . . . 111 MET H . 16682 1
886 . 1 1 111 111 MET HA H 1 4.64 0.02 . 1 . . . . 111 MET HA . 16682 1
887 . 1 1 111 111 MET HB2 H 1 1.46 0.02 . 2 . . . . 111 MET HB2 . 16682 1
888 . 1 1 111 111 MET HB3 H 1 1.12 0.02 . 2 . . . . 111 MET HB3 . 16682 1
889 . 1 1 111 111 MET HE1 H 1 1.29 0.02 . 1 . . . . 111 MET HE . 16682 1
890 . 1 1 111 111 MET HE2 H 1 1.29 0.02 . 1 . . . . 111 MET HE . 16682 1
891 . 1 1 111 111 MET HE3 H 1 1.29 0.02 . 1 . . . . 111 MET HE . 16682 1
892 . 1 1 111 111 MET C C 13 174.0 0.3 . 1 . . . . 111 MET C . 16682 1
893 . 1 1 111 111 MET CA C 13 57.3 0.3 . 1 . . . . 111 MET CA . 16682 1
894 . 1 1 111 111 MET CB C 13 37.8 0.3 . 1 . . . . 111 MET CB . 16682 1
895 . 1 1 111 111 MET CE C 13 15.8 0.3 . 1 . . . . 111 MET CE . 16682 1
896 . 1 1 111 111 MET CG C 13 30.3 0.3 . 1 . . . . 111 MET CG . 16682 1
897 . 1 1 111 111 MET N N 15 123.1 0.3 . 1 . . . . 111 MET N . 16682 1
898 . 1 1 112 112 MET H H 1 9.09 0.02 . 1 . . . . 112 MET H . 16682 1
899 . 1 1 112 112 MET HA H 1 5.54 0.02 . 1 . . . . 112 MET HA . 16682 1
900 . 1 1 112 112 MET HE1 H 1 1.55 0.02 . 1 . . . . 112 MET HE . 16682 1
901 . 1 1 112 112 MET HE2 H 1 1.55 0.02 . 1 . . . . 112 MET HE . 16682 1
902 . 1 1 112 112 MET HE3 H 1 1.55 0.02 . 1 . . . . 112 MET HE . 16682 1
903 . 1 1 112 112 MET C C 13 175.4 0.3 . 1 . . . . 112 MET C . 16682 1
904 . 1 1 112 112 MET CA C 13 55.5 0.3 . 1 . . . . 112 MET CA . 16682 1
905 . 1 1 112 112 MET CB C 13 37.2 0.3 . 1 . . . . 112 MET CB . 16682 1
906 . 1 1 112 112 MET CE C 13 17.6 0.3 . 1 . . . . 112 MET CE . 16682 1
907 . 1 1 112 112 MET CG C 13 34.5 0.3 . 1 . . . . 112 MET CG . 16682 1
908 . 1 1 112 112 MET N N 15 123.5 0.3 . 1 . . . . 112 MET N . 16682 1
909 . 1 1 113 113 ARG H H 1 9.63 0.02 . 1 . . . . 113 ARG H . 16682 1
910 . 1 1 113 113 ARG HA H 1 5.24 0.02 . 1 . . . . 113 ARG HA . 16682 1
911 . 1 1 113 113 ARG HB2 H 1 1.62 0.02 . 2 . . . . 113 ARG HB2 . 16682 1
912 . 1 1 113 113 ARG HB3 H 1 1.23 0.02 . 2 . . . . 113 ARG HB3 . 16682 1
913 . 1 1 113 113 ARG C C 13 173.8 0.3 . 1 . . . . 113 ARG C . 16682 1
914 . 1 1 113 113 ARG CA C 13 56.3 0.3 . 1 . . . . 113 ARG CA . 16682 1
915 . 1 1 113 113 ARG CB C 13 38.3 0.3 . 1 . . . . 113 ARG CB . 16682 1
916 . 1 1 113 113 ARG CD C 13 43.9 0.3 . 1 . . . . 113 ARG CD . 16682 1
917 . 1 1 113 113 ARG CG C 13 30.4 0.3 . 1 . . . . 113 ARG CG . 16682 1
918 . 1 1 113 113 ARG N N 15 119.8 0.3 . 1 . . . . 113 ARG N . 16682 1
919 . 1 1 114 114 LEU H H 1 8.26 0.02 . 1 . . . . 114 LEU H . 16682 1
920 . 1 1 114 114 LEU HA H 1 4.80 0.02 . 1 . . . . 114 LEU HA . 16682 1
921 . 1 1 114 114 LEU HD11 H 1 0.95 0.02 . 1 . . . . 114 LEU HD1 . 16682 1
922 . 1 1 114 114 LEU HD12 H 1 0.95 0.02 . 1 . . . . 114 LEU HD1 . 16682 1
923 . 1 1 114 114 LEU HD13 H 1 0.95 0.02 . 1 . . . . 114 LEU HD1 . 16682 1
924 . 1 1 114 114 LEU HD21 H 1 0.48 0.02 . 1 . . . . 114 LEU HD2 . 16682 1
925 . 1 1 114 114 LEU HD22 H 1 0.48 0.02 . 1 . . . . 114 LEU HD2 . 16682 1
926 . 1 1 114 114 LEU HD23 H 1 0.48 0.02 . 1 . . . . 114 LEU HD2 . 16682 1
927 . 1 1 114 114 LEU C C 13 174.2 0.3 . 1 . . . . 114 LEU C . 16682 1
928 . 1 1 114 114 LEU CA C 13 54.1 0.3 . 1 . . . . 114 LEU CA . 16682 1
929 . 1 1 114 114 LEU CB C 13 43.8 0.3 . 1 . . . . 114 LEU CB . 16682 1
930 . 1 1 114 114 LEU CD1 C 13 24.1 0.3 . 1 . . . . 114 LEU CD1 . 16682 1
931 . 1 1 114 114 LEU CD2 C 13 26.7 0.3 . 1 . . . . 114 LEU CD2 . 16682 1
932 . 1 1 114 114 LEU N N 15 124.4 0.3 . 1 . . . . 114 LEU N . 16682 1
933 . 1 1 115 115 TYR H H 1 9.64 0.02 . 1 . . . . 115 TYR H . 16682 1
934 . 1 1 115 115 TYR HA H 1 5.90 0.02 . 1 . . . . 115 TYR HA . 16682 1
935 . 1 1 115 115 TYR HB2 H 1 2.80 0.02 . 2 . . . . 115 TYR HB2 . 16682 1
936 . 1 1 115 115 TYR HB3 H 1 2.58 0.02 . 2 . . . . 115 TYR HB3 . 16682 1
937 . 1 1 115 115 TYR C C 13 176.5 0.3 . 1 . . . . 115 TYR C . 16682 1
938 . 1 1 115 115 TYR CA C 13 58.0 0.3 . 1 . . . . 115 TYR CA . 16682 1
939 . 1 1 115 115 TYR CB C 13 42.9 0.3 . 1 . . . . 115 TYR CB . 16682 1
940 . 1 1 115 115 TYR N N 15 129.4 0.3 . 1 . . . . 115 TYR N . 16682 1
941 . 1 1 116 116 SER H H 1 10.23 0.02 . 1 . . . . 116 SER H . 16682 1
942 . 1 1 116 116 SER HA H 1 6.54 0.02 . 1 . . . . 116 SER HA . 16682 1
943 . 1 1 116 116 SER HB2 H 1 4.07 0.02 . 2 . . . . 116 SER HB2 . 16682 1
944 . 1 1 116 116 SER HB3 H 1 3.72 0.02 . 2 . . . . 116 SER HB3 . 16682 1
945 . 1 1 116 116 SER C C 13 175.4 0.3 . 1 . . . . 116 SER C . 16682 1
946 . 1 1 116 116 SER CA C 13 56.8 0.3 . 1 . . . . 116 SER CA . 16682 1
947 . 1 1 116 116 SER CB C 13 67.7 0.3 . 1 . . . . 116 SER CB . 16682 1
948 . 1 1 116 116 SER N N 15 115.0 0.3 . 1 . . . . 116 SER N . 16682 1
949 . 1 1 117 117 ARG H H 1 8.69 0.02 . 1 . . . . 117 ARG H . 16682 1
950 . 1 1 117 117 ARG HA H 1 3.68 0.02 . 1 . . . . 117 ARG HA . 16682 1
951 . 1 1 117 117 ARG HB2 H 1 1.87 0.02 . 2 . . . . 117 ARG HB2 . 16682 1
952 . 1 1 117 117 ARG HB3 H 1 1.43 0.02 . 2 . . . . 117 ARG HB3 . 16682 1
953 . 1 1 117 117 ARG C C 13 175.4 0.3 . 1 . . . . 117 ARG C . 16682 1
954 . 1 1 117 117 ARG CA C 13 58.6 0.3 . 1 . . . . 117 ARG CA . 16682 1
955 . 1 1 117 117 ARG CB C 13 32.5 0.3 . 1 . . . . 117 ARG CB . 16682 1
956 . 1 1 117 117 ARG CD C 13 43.4 0.3 . 1 . . . . 117 ARG CD . 16682 1
957 . 1 1 117 117 ARG CG C 13 26.9 0.3 . 1 . . . . 117 ARG CG . 16682 1
958 . 1 1 117 117 ARG N N 15 128.3 0.3 . 1 . . . . 117 ARG N . 16682 1
959 . 1 1 118 118 SER H H 1 8.07 0.02 . 1 . . . . 118 SER H . 16682 1
960 . 1 1 118 118 SER HA H 1 4.96 0.02 . 1 . . . . 118 SER HA . 16682 1
961 . 1 1 118 118 SER HB2 H 1 4.04 0.02 . 2 . . . . 118 SER HB2 . 16682 1
962 . 1 1 118 118 SER HB3 H 1 3.72 0.02 . 2 . . . . 118 SER HB3 . 16682 1
963 . 1 1 118 118 SER C C 13 173.4 0.3 . 1 . . . . 118 SER C . 16682 1
964 . 1 1 118 118 SER CA C 13 54.8 0.3 . 1 . . . . 118 SER CA . 16682 1
965 . 1 1 118 118 SER CB C 13 65.8 0.3 . 1 . . . . 118 SER CB . 16682 1
966 . 1 1 118 118 SER N N 15 112.4 0.3 . 1 . . . . 118 SER N . 16682 1
967 . 1 1 119 119 PRO HA H 1 3.97 0.02 . 1 . . . . 119 PRO HA . 16682 1
968 . 1 1 119 119 PRO HB2 H 1 1.38 0.02 . 2 . . . . 119 PRO HB2 . 16682 1
969 . 1 1 119 119 PRO HB3 H 1 1.20 0.02 . 2 . . . . 119 PRO HB3 . 16682 1
970 . 1 1 119 119 PRO HD2 H 1 3.65 0.02 . 2 . . . . 119 PRO HD2 . 16682 1
971 . 1 1 119 119 PRO HD3 H 1 3.08 0.02 . 2 . . . . 119 PRO HD3 . 16682 1
972 . 1 1 119 119 PRO HG2 H 1 1.60 0.02 . 2 . . . . 119 PRO HG2 . 16682 1
973 . 1 1 119 119 PRO HG3 H 1 1.15 0.02 . 2 . . . . 119 PRO HG3 . 16682 1
974 . 1 1 119 119 PRO C C 13 175.5 0.3 . 1 . . . . 119 PRO C . 16682 1
975 . 1 1 119 119 PRO CA C 13 65.1 0.3 . 1 . . . . 119 PRO CA . 16682 1
976 . 1 1 119 119 PRO CB C 13 32.2 0.3 . 1 . . . . 119 PRO CB . 16682 1
977 . 1 1 119 119 PRO CD C 13 51.1 0.3 . 1 . . . . 119 PRO CD . 16682 1
978 . 1 1 119 119 PRO CG C 13 27.1 0.3 . 1 . . . . 119 PRO CG . 16682 1
979 . 1 1 120 120 GLU H H 1 7.40 0.02 . 1 . . . . 120 GLU H . 16682 1
980 . 1 1 120 120 GLU HA H 1 4.26 0.02 . 1 . . . . 120 GLU HA . 16682 1
981 . 1 1 120 120 GLU HB2 H 1 1.83 0.02 . 2 . . . . 120 GLU HB2 . 16682 1
982 . 1 1 120 120 GLU HB3 H 1 1.77 0.02 . 2 . . . . 120 GLU HB3 . 16682 1
983 . 1 1 120 120 GLU HG2 H 1 2.33 0.02 . 2 . . . . 120 GLU HG2 . 16682 1
984 . 1 1 120 120 GLU HG3 H 1 2.25 0.02 . 2 . . . . 120 GLU HG3 . 16682 1
985 . 1 1 120 120 GLU C C 13 174.5 0.3 . 1 . . . . 120 GLU C . 16682 1
986 . 1 1 120 120 GLU CA C 13 55.8 0.3 . 1 . . . . 120 GLU CA . 16682 1
987 . 1 1 120 120 GLU CB C 13 29.7 0.3 . 1 . . . . 120 GLU CB . 16682 1
988 . 1 1 120 120 GLU CG C 13 37.1 0.3 . 1 . . . . 120 GLU CG . 16682 1
989 . 1 1 120 120 GLU N N 15 117.0 0.3 . 1 . . . . 120 GLU N . 16682 1
990 . 1 1 121 121 VAL H H 1 8.03 0.02 . 1 . . . . 121 VAL H . 16682 1
991 . 1 1 121 121 VAL HA H 1 4.14 0.02 . 1 . . . . 121 VAL HA . 16682 1
992 . 1 1 121 121 VAL HB H 1 1.87 0.02 . 1 . . . . 121 VAL HB . 16682 1
993 . 1 1 121 121 VAL HG11 H 1 1.11 0.02 . 1 . . . . 121 VAL HG1 . 16682 1
994 . 1 1 121 121 VAL HG12 H 1 1.11 0.02 . 1 . . . . 121 VAL HG1 . 16682 1
995 . 1 1 121 121 VAL HG13 H 1 1.11 0.02 . 1 . . . . 121 VAL HG1 . 16682 1
996 . 1 1 121 121 VAL HG21 H 1 0.81 0.02 . 1 . . . . 121 VAL HG2 . 16682 1
997 . 1 1 121 121 VAL HG22 H 1 0.81 0.02 . 1 . . . . 121 VAL HG2 . 16682 1
998 . 1 1 121 121 VAL HG23 H 1 0.81 0.02 . 1 . . . . 121 VAL HG2 . 16682 1
999 . 1 1 121 121 VAL C C 13 174.4 0.3 . 1 . . . . 121 VAL C . 16682 1
1000 . 1 1 121 121 VAL CA C 13 61.7 0.3 . 1 . . . . 121 VAL CA . 16682 1
1001 . 1 1 121 121 VAL CB C 13 34.1 0.3 . 1 . . . . 121 VAL CB . 16682 1
1002 . 1 1 121 121 VAL CG1 C 13 23.5 0.3 . 1 . . . . 121 VAL CG1 . 16682 1
1003 . 1 1 121 121 VAL CG2 C 13 20.5 0.3 . 1 . . . . 121 VAL CG2 . 16682 1
1004 . 1 1 121 121 VAL N N 15 125.1 0.3 . 1 . . . . 121 VAL N . 16682 1
1005 . 1 1 122 122 SER H H 1 8.59 0.02 . 1 . . . . 122 SER H . 16682 1
1006 . 1 1 122 122 SER HA H 1 4.75 0.02 . 1 . . . . 122 SER HA . 16682 1
1007 . 1 1 122 122 SER HB2 H 1 4.26 0.02 . 2 . . . . 122 SER HB2 . 16682 1
1008 . 1 1 122 122 SER HB3 H 1 3.96 0.02 . 2 . . . . 122 SER HB3 . 16682 1
1009 . 1 1 122 122 SER CA C 13 57.3 0.3 . 1 . . . . 122 SER CA . 16682 1
1010 . 1 1 122 122 SER CB C 13 64.5 0.3 . 1 . . . . 122 SER CB . 16682 1
1011 . 1 1 122 122 SER N N 15 124.7 0.3 . 1 . . . . 122 SER N . 16682 1
1012 . 1 1 123 123 PRO C C 13 175.6 0.3 . 1 . . . . 123 PRO C . 16682 1
1013 . 1 1 123 123 PRO CA C 13 65.9 0.3 . 1 . . . . 123 PRO CA . 16682 1
1014 . 1 1 124 124 ALA H H 1 8.04 0.02 . 1 . . . . 124 ALA H . 16682 1
1015 . 1 1 124 124 ALA HA H 1 4.07 0.02 . 1 . . . . 124 ALA HA . 16682 1
1016 . 1 1 124 124 ALA HB1 H 1 1.34 0.02 . 1 . . . . 124 ALA HB . 16682 1
1017 . 1 1 124 124 ALA HB2 H 1 1.34 0.02 . 1 . . . . 124 ALA HB . 16682 1
1018 . 1 1 124 124 ALA HB3 H 1 1.34 0.02 . 1 . . . . 124 ALA HB . 16682 1
1019 . 1 1 124 124 ALA C C 13 179.9 0.3 . 1 . . . . 124 ALA C . 16682 1
1020 . 1 1 124 124 ALA CA C 13 55.8 0.3 . 1 . . . . 124 ALA CA . 16682 1
1021 . 1 1 124 124 ALA CB C 13 19.1 0.3 . 1 . . . . 124 ALA CB . 16682 1
1022 . 1 1 124 124 ALA N N 15 120.1 0.3 . 1 . . . . 124 ALA N . 16682 1
1023 . 1 1 125 125 ALA H H 1 7.70 0.02 . 1 . . . . 125 ALA H . 16682 1
1024 . 1 1 125 125 ALA HA H 1 3.34 0.02 . 1 . . . . 125 ALA HA . 16682 1
1025 . 1 1 125 125 ALA HB1 H 1 1.27 0.02 . 1 . . . . 125 ALA HB . 16682 1
1026 . 1 1 125 125 ALA HB2 H 1 1.27 0.02 . 1 . . . . 125 ALA HB . 16682 1
1027 . 1 1 125 125 ALA HB3 H 1 1.27 0.02 . 1 . . . . 125 ALA HB . 16682 1
1028 . 1 1 125 125 ALA C C 13 179.2 0.3 . 1 . . . . 125 ALA C . 16682 1
1029 . 1 1 125 125 ALA CA C 13 55.5 0.3 . 1 . . . . 125 ALA CA . 16682 1
1030 . 1 1 125 125 ALA CB C 13 20.0 0.3 . 1 . . . . 125 ALA CB . 16682 1
1031 . 1 1 125 125 ALA N N 15 121.0 0.3 . 1 . . . . 125 ALA N . 16682 1
1032 . 1 1 126 126 THR H H 1 7.88 0.02 . 1 . . . . 126 THR H . 16682 1
1033 . 1 1 126 126 THR HA H 1 4.16 0.02 . 1 . . . . 126 THR HA . 16682 1
1034 . 1 1 126 126 THR HB H 1 3.59 0.02 . 1 . . . . 126 THR HB . 16682 1
1035 . 1 1 126 126 THR HG21 H 1 1.15 0.02 . 1 . . . . 126 THR HG2 . 16682 1
1036 . 1 1 126 126 THR HG22 H 1 1.15 0.02 . 1 . . . . 126 THR HG2 . 16682 1
1037 . 1 1 126 126 THR HG23 H 1 1.15 0.02 . 1 . . . . 126 THR HG2 . 16682 1
1038 . 1 1 126 126 THR C C 13 176.1 0.3 . 1 . . . . 126 THR C . 16682 1
1039 . 1 1 126 126 THR CA C 13 68.9 0.3 . 1 . . . . 126 THR CA . 16682 1
1040 . 1 1 126 126 THR CB C 13 67.7 0.3 . 1 . . . . 126 THR CB . 16682 1
1041 . 1 1 126 126 THR CG2 C 13 23.7 0.3 . 1 . . . . 126 THR CG2 . 16682 1
1042 . 1 1 126 126 THR N N 15 113.1 0.3 . 1 . . . . 126 THR N . 16682 1
1043 . 1 1 127 127 ALA H H 1 7.87 0.02 . 1 . . . . 127 ALA H . 16682 1
1044 . 1 1 127 127 ALA HA H 1 4.07 0.02 . 1 . . . . 127 ALA HA . 16682 1
1045 . 1 1 127 127 ALA HB1 H 1 1.43 0.02 . 1 . . . . 127 ALA HB . 16682 1
1046 . 1 1 127 127 ALA HB2 H 1 1.43 0.02 . 1 . . . . 127 ALA HB . 16682 1
1047 . 1 1 127 127 ALA HB3 H 1 1.43 0.02 . 1 . . . . 127 ALA HB . 16682 1
1048 . 1 1 127 127 ALA C C 13 181.1 0.3 . 1 . . . . 127 ALA C . 16682 1
1049 . 1 1 127 127 ALA CA C 13 56.2 0.3 . 1 . . . . 127 ALA CA . 16682 1
1050 . 1 1 127 127 ALA CB C 13 18.7 0.3 . 1 . . . . 127 ALA CB . 16682 1
1051 . 1 1 127 127 ALA N N 15 123.2 0.3 . 1 . . . . 127 ALA N . 16682 1
1052 . 1 1 128 128 ILE H H 1 7.61 0.02 . 1 . . . . 128 ILE H . 16682 1
1053 . 1 1 128 128 ILE HA H 1 3.68 0.02 . 1 . . . . 128 ILE HA . 16682 1
1054 . 1 1 128 128 ILE HB H 1 1.70 0.02 . 1 . . . . 128 ILE HB . 16682 1
1055 . 1 1 128 128 ILE HD11 H 1 0.61 0.02 . 1 . . . . 128 ILE HD1 . 16682 1
1056 . 1 1 128 128 ILE HD12 H 1 0.61 0.02 . 1 . . . . 128 ILE HD1 . 16682 1
1057 . 1 1 128 128 ILE HD13 H 1 0.61 0.02 . 1 . . . . 128 ILE HD1 . 16682 1
1058 . 1 1 128 128 ILE HG12 H 1 1.59 0.02 . 2 . . . . 128 ILE HG12 . 16682 1
1059 . 1 1 128 128 ILE HG13 H 1 1.04 0.02 . 2 . . . . 128 ILE HG13 . 16682 1
1060 . 1 1 128 128 ILE HG21 H 1 0.99 0.02 . 1 . . . . 128 ILE HG2 . 16682 1
1061 . 1 1 128 128 ILE HG22 H 1 0.99 0.02 . 1 . . . . 128 ILE HG2 . 16682 1
1062 . 1 1 128 128 ILE HG23 H 1 0.99 0.02 . 1 . . . . 128 ILE HG2 . 16682 1
1063 . 1 1 128 128 ILE C C 13 177.3 0.3 . 1 . . . . 128 ILE C . 16682 1
1064 . 1 1 128 128 ILE CA C 13 65.6 0.3 . 1 . . . . 128 ILE CA . 16682 1
1065 . 1 1 128 128 ILE CB C 13 39.4 0.3 . 1 . . . . 128 ILE CB . 16682 1
1066 . 1 1 128 128 ILE CD1 C 13 13.9 0.3 . 1 . . . . 128 ILE CD1 . 16682 1
1067 . 1 1 128 128 ILE CG1 C 13 30.5 0.3 . 1 . . . . 128 ILE CG1 . 16682 1
1068 . 1 1 128 128 ILE CG2 C 13 18.7 0.3 . 1 . . . . 128 ILE CG2 . 16682 1
1069 . 1 1 128 128 ILE N N 15 121.1 0.3 . 1 . . . . 128 ILE N . 16682 1
1070 . 1 1 129 129 PHE H H 1 8.22 0.02 . 1 . . . . 129 PHE H . 16682 1
1071 . 1 1 129 129 PHE HA H 1 3.99 0.02 . 1 . . . . 129 PHE HA . 16682 1
1072 . 1 1 129 129 PHE C C 13 176.1 0.3 . 1 . . . . 129 PHE C . 16682 1
1073 . 1 1 129 129 PHE CA C 13 63.0 0.3 . 1 . . . . 129 PHE CA . 16682 1
1074 . 1 1 129 129 PHE CB C 13 41.1 0.3 . 1 . . . . 129 PHE CB . 16682 1
1075 . 1 1 129 129 PHE N N 15 120.2 0.3 . 1 . . . . 129 PHE N . 16682 1
1076 . 1 1 130 130 ARG H H 1 8.63 0.02 . 1 . . . . 130 ARG H . 16682 1
1077 . 1 1 130 130 ARG HA H 1 3.54 0.02 . 1 . . . . 130 ARG HA . 16682 1
1078 . 1 1 130 130 ARG HB2 H 1 1.94 0.02 . 2 . . . . 130 ARG HB2 . 16682 1
1079 . 1 1 130 130 ARG HB3 H 1 1.84 0.02 . 2 . . . . 130 ARG HB3 . 16682 1
1080 . 1 1 130 130 ARG C C 13 179.4 0.3 . 1 . . . . 130 ARG C . 16682 1
1081 . 1 1 130 130 ARG CA C 13 61.1 0.3 . 1 . . . . 130 ARG CA . 16682 1
1082 . 1 1 130 130 ARG CB C 13 30.6 0.3 . 1 . . . . 130 ARG CB . 16682 1
1083 . 1 1 130 130 ARG CD C 13 43.9 0.3 . 1 . . . . 130 ARG CD . 16682 1
1084 . 1 1 130 130 ARG CG C 13 30.4 0.3 . 1 . . . . 130 ARG CG . 16682 1
1085 . 1 1 130 130 ARG N N 15 116.3 0.3 . 1 . . . . 130 ARG N . 16682 1
1086 . 1 1 131 131 LYS H H 1 7.96 0.02 . 1 . . . . 131 LYS H . 16682 1
1087 . 1 1 131 131 LYS HA H 1 4.03 0.02 . 1 . . . . 131 LYS HA . 16682 1
1088 . 1 1 131 131 LYS C C 13 179.3 0.3 . 1 . . . . 131 LYS C . 16682 1
1089 . 1 1 131 131 LYS CA C 13 60.5 0.3 . 1 . . . . 131 LYS CA . 16682 1
1090 . 1 1 131 131 LYS CB C 13 33.2 0.3 . 1 . . . . 131 LYS CB . 16682 1
1091 . 1 1 131 131 LYS CD C 13 30.5 0.3 . 1 . . . . 131 LYS CD . 16682 1
1092 . 1 1 131 131 LYS CE C 13 43.2 0.3 . 1 . . . . 131 LYS CE . 16682 1
1093 . 1 1 131 131 LYS CG C 13 25.7 0.3 . 1 . . . . 131 LYS CG . 16682 1
1094 . 1 1 131 131 LYS N N 15 122.2 0.3 . 1 . . . . 131 LYS N . 16682 1
1095 . 1 1 132 132 LEU H H 1 8.38 0.02 . 1 . . . . 132 LEU H . 16682 1
1096 . 1 1 132 132 LEU HA H 1 3.93 0.02 . 1 . . . . 132 LEU HA . 16682 1
1097 . 1 1 132 132 LEU HD11 H 1 1.16 0.02 . 1 . . . . 132 LEU HD1 . 16682 1
1098 . 1 1 132 132 LEU HD12 H 1 1.16 0.02 . 1 . . . . 132 LEU HD1 . 16682 1
1099 . 1 1 132 132 LEU HD13 H 1 1.16 0.02 . 1 . . . . 132 LEU HD1 . 16682 1
1100 . 1 1 132 132 LEU HD21 H 1 0.82 0.02 . 1 . . . . 132 LEU HD2 . 16682 1
1101 . 1 1 132 132 LEU HD22 H 1 0.82 0.02 . 1 . . . . 132 LEU HD2 . 16682 1
1102 . 1 1 132 132 LEU HD23 H 1 0.82 0.02 . 1 . . . . 132 LEU HD2 . 16682 1
1103 . 1 1 132 132 LEU C C 13 179.6 0.3 . 1 . . . . 132 LEU C . 16682 1
1104 . 1 1 132 132 LEU CA C 13 58.6 0.3 . 1 . . . . 132 LEU CA . 16682 1
1105 . 1 1 132 132 LEU CB C 13 42.5 0.3 . 1 . . . . 132 LEU CB . 16682 1
1106 . 1 1 132 132 LEU CD1 C 13 28.5 0.3 . 1 . . . . 132 LEU CD1 . 16682 1
1107 . 1 1 132 132 LEU CD2 C 13 23.5 0.3 . 1 . . . . 132 LEU CD2 . 16682 1
1108 . 1 1 132 132 LEU N N 15 120.3 0.3 . 1 . . . . 132 LEU N . 16682 1
1109 . 1 1 133 133 ALA H H 1 8.79 0.02 . 1 . . . . 133 ALA H . 16682 1
1110 . 1 1 133 133 ALA HA H 1 3.97 0.02 . 1 . . . . 133 ALA HA . 16682 1
1111 . 1 1 133 133 ALA HB1 H 1 0.83 0.02 . 1 . . . . 133 ALA HB . 16682 1
1112 . 1 1 133 133 ALA HB2 H 1 0.83 0.02 . 1 . . . . 133 ALA HB . 16682 1
1113 . 1 1 133 133 ALA HB3 H 1 0.83 0.02 . 1 . . . . 133 ALA HB . 16682 1
1114 . 1 1 133 133 ALA C C 13 180.4 0.3 . 1 . . . . 133 ALA C . 16682 1
1115 . 1 1 133 133 ALA CA C 13 56.0 0.3 . 1 . . . . 133 ALA CA . 16682 1
1116 . 1 1 133 133 ALA CB C 13 16.8 0.3 . 1 . . . . 133 ALA CB . 16682 1
1117 . 1 1 133 133 ALA N N 15 122.3 0.3 . 1 . . . . 133 ALA N . 16682 1
1118 . 1 1 134 134 GLY H H 1 8.18 0.02 . 1 . . . . 134 GLY H . 16682 1
1119 . 1 1 134 134 GLY C C 13 178.2 0.3 . 1 . . . . 134 GLY C . 16682 1
1120 . 1 1 134 134 GLY CA C 13 48.1 0.3 . 1 . . . . 134 GLY CA . 16682 1
1121 . 1 1 134 134 GLY N N 15 108.0 0.3 . 1 . . . . 134 GLY N . 16682 1
1122 . 1 1 135 135 GLU H H 1 7.68 0.02 . 1 . . . . 135 GLU H . 16682 1
1123 . 1 1 135 135 GLU HA H 1 4.05 0.02 . 1 . . . . 135 GLU HA . 16682 1
1124 . 1 1 135 135 GLU C C 13 177.4 0.3 . 1 . . . . 135 GLU C . 16682 1
1125 . 1 1 135 135 GLU CA C 13 59.3 0.3 . 1 . . . . 135 GLU CA . 16682 1
1126 . 1 1 135 135 GLU CB C 13 30.4 0.3 . 1 . . . . 135 GLU CB . 16682 1
1127 . 1 1 135 135 GLU CG C 13 37.6 0.3 . 1 . . . . 135 GLU CG . 16682 1
1128 . 1 1 135 135 GLU N N 15 121.8 0.3 . 1 . . . . 135 GLU N . 16682 1
1129 . 1 1 136 136 ARG H H 1 7.09 0.02 . 1 . . . . 136 ARG H . 16682 1
1130 . 1 1 136 136 ARG HA H 1 4.15 0.02 . 1 . . . . 136 ARG HA . 16682 1
1131 . 1 1 136 136 ARG C C 13 173.5 0.3 . 1 . . . . 136 ARG C . 16682 1
1132 . 1 1 136 136 ARG CA C 13 55.8 0.3 . 1 . . . . 136 ARG CA . 16682 1
1133 . 1 1 136 136 ARG CB C 13 28.9 0.3 . 1 . . . . 136 ARG CB . 16682 1
1134 . 1 1 136 136 ARG CD C 13 43.9 0.3 . 1 . . . . 136 ARG CD . 16682 1
1135 . 1 1 136 136 ARG CG C 13 29.4 0.3 . 1 . . . . 136 ARG CG . 16682 1
1136 . 1 1 136 136 ARG N N 15 118.0 0.3 . 1 . . . . 136 ARG N . 16682 1
1137 . 1 1 137 137 ASN H H 1 7.54 0.02 . 1 . . . . 137 ASN H . 16682 1
1138 . 1 1 137 137 ASN HA H 1 4.15 0.02 . 1 . . . . 137 ASN HA . 16682 1
1139 . 1 1 137 137 ASN HB2 H 1 2.88 0.02 . 2 . . . . 137 ASN HB2 . 16682 1
1140 . 1 1 137 137 ASN HB3 H 1 2.81 0.02 . 2 . . . . 137 ASN HB3 . 16682 1
1141 . 1 1 137 137 ASN HD21 H 1 7.32 0.02 . 1 . . . . 137 ASN HD21 . 16682 1
1142 . 1 1 137 137 ASN HD22 H 1 6.75 0.02 . 1 . . . . 137 ASN HD22 . 16682 1
1143 . 1 1 137 137 ASN C C 13 174.2 0.3 . 1 . . . . 137 ASN C . 16682 1
1144 . 1 1 137 137 ASN CA C 13 56.0 0.3 . 1 . . . . 137 ASN CA . 16682 1
1145 . 1 1 137 137 ASN CB C 13 37.2 0.3 . 1 . . . . 137 ASN CB . 16682 1
1146 . 1 1 137 137 ASN N N 15 109.5 0.3 . 1 . . . . 137 ASN N . 16682 1
1147 . 1 1 137 137 ASN ND2 N 15 112.7 0.3 . 1 . . . . 137 ASN ND2 . 16682 1
1148 . 1 1 138 138 TYR H H 1 7.96 0.02 . 1 . . . . 138 TYR H . 16682 1
1149 . 1 1 138 138 TYR HA H 1 5.29 0.02 . 1 . . . . 138 TYR HA . 16682 1
1150 . 1 1 138 138 TYR C C 13 175.9 0.3 . 1 . . . . 138 TYR C . 16682 1
1151 . 1 1 138 138 TYR CA C 13 57.7 0.3 . 1 . . . . 138 TYR CA . 16682 1
1152 . 1 1 138 138 TYR CB C 13 37.6 0.3 . 1 . . . . 138 TYR CB . 16682 1
1153 . 1 1 138 138 TYR CD1 C 13 132.8 0.3 . 1 . . . . 138 TYR CD1 . 16682 1
1154 . 1 1 138 138 TYR CE1 C 13 117.3 0.3 . 1 . . . . 138 TYR CE1 . 16682 1
1155 . 1 1 138 138 TYR N N 15 118.6 0.3 . 1 . . . . 138 TYR N . 16682 1
1156 . 1 1 139 139 THR H H 1 7.74 0.02 . 1 . . . . 139 THR H . 16682 1
1157 . 1 1 139 139 THR HA H 1 4.42 0.02 . 1 . . . . 139 THR HA . 16682 1
1158 . 1 1 139 139 THR HB H 1 4.70 0.02 . 1 . . . . 139 THR HB . 16682 1
1159 . 1 1 139 139 THR HG21 H 1 1.23 0.02 . 1 . . . . 139 THR HG2 . 16682 1
1160 . 1 1 139 139 THR HG22 H 1 1.23 0.02 . 1 . . . . 139 THR HG2 . 16682 1
1161 . 1 1 139 139 THR HG23 H 1 1.23 0.02 . 1 . . . . 139 THR HG2 . 16682 1
1162 . 1 1 139 139 THR C C 13 175.5 0.3 . 1 . . . . 139 THR C . 16682 1
1163 . 1 1 139 139 THR CA C 13 61.4 0.3 . 1 . . . . 139 THR CA . 16682 1
1164 . 1 1 139 139 THR CB C 13 71.4 0.3 . 1 . . . . 139 THR CB . 16682 1
1165 . 1 1 139 139 THR CG2 C 13 23.0 0.3 . 1 . . . . 139 THR CG2 . 16682 1
1166 . 1 1 139 139 THR N N 15 115.0 0.3 . 1 . . . . 139 THR N . 16682 1
1167 . 1 1 140 140 ASP H H 1 8.60 0.02 . 1 . . . . 140 ASP H . 16682 1
1168 . 1 1 140 140 ASP HA H 1 4.26 0.02 . 1 . . . . 140 ASP HA . 16682 1
1169 . 1 1 140 140 ASP C C 13 178.4 0.3 . 1 . . . . 140 ASP C . 16682 1
1170 . 1 1 140 140 ASP CA C 13 59.0 0.3 . 1 . . . . 140 ASP CA . 16682 1
1171 . 1 1 140 140 ASP CB C 13 41.8 0.3 . 1 . . . . 140 ASP CB . 16682 1
1172 . 1 1 140 140 ASP N N 15 117.8 0.3 . 1 . . . . 140 ASP N . 16682 1
1173 . 1 1 141 141 GLU H H 1 8.54 0.02 . 1 . . . . 141 GLU H . 16682 1
1174 . 1 1 141 141 GLU HA H 1 4.27 0.02 . 1 . . . . 141 GLU HA . 16682 1
1175 . 1 1 141 141 GLU HB2 H 1 2.11 0.02 . 2 . . . . 141 GLU HB2 . 16682 1
1176 . 1 1 141 141 GLU HB3 H 1 2.03 0.02 . 2 . . . . 141 GLU HB3 . 16682 1
1177 . 1 1 141 141 GLU C C 13 176.2 0.3 . 1 . . . . 141 GLU C . 16682 1
1178 . 1 1 141 141 GLU CA C 13 59.1 0.3 . 1 . . . . 141 GLU CA . 16682 1
1179 . 1 1 141 141 GLU CB C 13 30.1 0.3 . 1 . . . . 141 GLU CB . 16682 1
1180 . 1 1 141 141 GLU CG C 13 37.6 0.3 . 1 . . . . 141 GLU CG . 16682 1
1181 . 1 1 141 141 GLU N N 15 117.0 0.3 . 1 . . . . 141 GLU N . 16682 1
1182 . 1 1 142 142 MET H H 1 7.96 0.02 . 1 . . . . 142 MET H . 16682 1
1183 . 1 1 142 142 MET HA H 1 4.50 0.02 . 1 . . . . 142 MET HA . 16682 1
1184 . 1 1 142 142 MET HE1 H 1 2.36 0.02 . 1 . . . . 142 MET HE . 16682 1
1185 . 1 1 142 142 MET HE2 H 1 2.36 0.02 . 1 . . . . 142 MET HE . 16682 1
1186 . 1 1 142 142 MET HE3 H 1 2.36 0.02 . 1 . . . . 142 MET HE . 16682 1
1187 . 1 1 142 142 MET HG2 H 1 2.85 0.02 . 2 . . . . 142 MET HG2 . 16682 1
1188 . 1 1 142 142 MET HG3 H 1 2.71 0.02 . 2 . . . . 142 MET HG3 . 16682 1
1189 . 1 1 142 142 MET C C 13 172.9 0.3 . 1 . . . . 142 MET C . 16682 1
1190 . 1 1 142 142 MET CA C 13 57.1 0.3 . 1 . . . . 142 MET CA . 16682 1
1191 . 1 1 142 142 MET CB C 13 33.4 0.3 . 1 . . . . 142 MET CB . 16682 1
1192 . 1 1 142 142 MET CE C 13 19.9 0.3 . 1 . . . . 142 MET CE . 16682 1
1193 . 1 1 142 142 MET CG C 13 35.3 0.3 . 1 . . . . 142 MET CG . 16682 1
1194 . 1 1 142 142 MET N N 15 117.6 0.3 . 1 . . . . 142 MET N . 16682 1
1195 . 1 1 143 143 VAL H H 1 7.12 0.02 . 1 . . . . 143 VAL H . 16682 1
1196 . 1 1 143 143 VAL HA H 1 4.83 0.02 . 1 . . . . 143 VAL HA . 16682 1
1197 . 1 1 143 143 VAL HB H 1 2.11 0.02 . 1 . . . . 143 VAL HB . 16682 1
1198 . 1 1 143 143 VAL HG11 H 1 0.92 0.02 . 1 . . . . 143 VAL HG1 . 16682 1
1199 . 1 1 143 143 VAL HG12 H 1 0.92 0.02 . 1 . . . . 143 VAL HG1 . 16682 1
1200 . 1 1 143 143 VAL HG13 H 1 0.92 0.02 . 1 . . . . 143 VAL HG1 . 16682 1
1201 . 1 1 143 143 VAL HG21 H 1 0.80 0.02 . 1 . . . . 143 VAL HG2 . 16682 1
1202 . 1 1 143 143 VAL HG22 H 1 0.80 0.02 . 1 . . . . 143 VAL HG2 . 16682 1
1203 . 1 1 143 143 VAL HG23 H 1 0.80 0.02 . 1 . . . . 143 VAL HG2 . 16682 1
1204 . 1 1 143 143 VAL C C 13 175.6 0.3 . 1 . . . . 143 VAL C . 16682 1
1205 . 1 1 143 143 VAL CA C 13 62.2 0.3 . 1 . . . . 143 VAL CA . 16682 1
1206 . 1 1 143 143 VAL CB C 13 34.5 0.3 . 1 . . . . 143 VAL CB . 16682 1
1207 . 1 1 143 143 VAL CG1 C 13 22.6 0.3 . 1 . . . . 143 VAL CG1 . 16682 1
1208 . 1 1 143 143 VAL CG2 C 13 21.8 0.3 . 1 . . . . 143 VAL CG2 . 16682 1
1209 . 1 1 143 143 VAL N N 15 116.7 0.3 . 1 . . . . 143 VAL N . 16682 1
1210 . 1 1 144 144 ALA H H 1 9.66 0.02 . 1 . . . . 144 ALA H . 16682 1
1211 . 1 1 144 144 ALA HA H 1 4.81 0.02 . 1 . . . . 144 ALA HA . 16682 1
1212 . 1 1 144 144 ALA HB1 H 1 1.32 0.02 . 1 . . . . 144 ALA HB . 16682 1
1213 . 1 1 144 144 ALA HB2 H 1 1.32 0.02 . 1 . . . . 144 ALA HB . 16682 1
1214 . 1 1 144 144 ALA HB3 H 1 1.32 0.02 . 1 . . . . 144 ALA HB . 16682 1
1215 . 1 1 144 144 ALA C C 13 175.8 0.3 . 1 . . . . 144 ALA C . 16682 1
1216 . 1 1 144 144 ALA CA C 13 51.5 0.3 . 1 . . . . 144 ALA CA . 16682 1
1217 . 1 1 144 144 ALA CB C 13 22.9 0.3 . 1 . . . . 144 ALA CB . 16682 1
1218 . 1 1 144 144 ALA N N 15 131.1 0.3 . 1 . . . . 144 ALA N . 16682 1
1219 . 1 1 145 145 MET H H 1 8.65 0.02 . 1 . . . . 145 MET H . 16682 1
1220 . 1 1 145 145 MET HA H 1 4.96 0.02 . 1 . . . . 145 MET HA . 16682 1
1221 . 1 1 145 145 MET HE1 H 1 1.93 0.02 . 1 . . . . 145 MET HE . 16682 1
1222 . 1 1 145 145 MET HE2 H 1 1.93 0.02 . 1 . . . . 145 MET HE . 16682 1
1223 . 1 1 145 145 MET HE3 H 1 1.93 0.02 . 1 . . . . 145 MET HE . 16682 1
1224 . 1 1 145 145 MET HG2 H 1 2.80 0.02 . 2 . . . . 145 MET HG2 . 16682 1
1225 . 1 1 145 145 MET HG3 H 1 2.46 0.02 . 2 . . . . 145 MET HG3 . 16682 1
1226 . 1 1 145 145 MET C C 13 176.9 0.3 . 1 . . . . 145 MET C . 16682 1
1227 . 1 1 145 145 MET CA C 13 54.0 0.3 . 1 . . . . 145 MET CA . 16682 1
1228 . 1 1 145 145 MET CB C 13 30.1 0.3 . 1 . . . . 145 MET CB . 16682 1
1229 . 1 1 145 145 MET CE C 13 16.9 0.3 . 1 . . . . 145 MET CE . 16682 1
1230 . 1 1 145 145 MET CG C 13 32.4 0.3 . 1 . . . . 145 MET CG . 16682 1
1231 . 1 1 145 145 MET N N 15 122.2 0.3 . 1 . . . . 145 MET N . 16682 1
1232 . 1 1 146 146 LEU H H 1 8.04 0.02 . 1 . . . . 146 LEU H . 16682 1
1233 . 1 1 146 146 LEU HA H 1 4.60 0.02 . 1 . . . . 146 LEU HA . 16682 1
1234 . 1 1 146 146 LEU HB2 H 1 1.72 0.02 . 2 . . . . 146 LEU HB2 . 16682 1
1235 . 1 1 146 146 LEU HB3 H 1 1.02 0.02 . 2 . . . . 146 LEU HB3 . 16682 1
1236 . 1 1 146 146 LEU HD11 H 1 0.91 0.02 . 1 . . . . 146 LEU HD1 . 16682 1
1237 . 1 1 146 146 LEU HD12 H 1 0.91 0.02 . 1 . . . . 146 LEU HD1 . 16682 1
1238 . 1 1 146 146 LEU HD13 H 1 0.91 0.02 . 1 . . . . 146 LEU HD1 . 16682 1
1239 . 1 1 146 146 LEU HD21 H 1 0.60 0.02 . 1 . . . . 146 LEU HD2 . 16682 1
1240 . 1 1 146 146 LEU HD22 H 1 0.60 0.02 . 1 . . . . 146 LEU HD2 . 16682 1
1241 . 1 1 146 146 LEU HD23 H 1 0.60 0.02 . 1 . . . . 146 LEU HD2 . 16682 1
1242 . 1 1 146 146 LEU HG H 1 1.44 0.02 . 1 . . . . 146 LEU HG . 16682 1
1243 . 1 1 146 146 LEU C C 13 174.5 0.3 . 1 . . . . 146 LEU C . 16682 1
1244 . 1 1 146 146 LEU CA C 13 53.9 0.3 . 1 . . . . 146 LEU CA . 16682 1
1245 . 1 1 146 146 LEU CB C 13 42.8 0.3 . 1 . . . . 146 LEU CB . 16682 1
1246 . 1 1 146 146 LEU CD1 C 13 25.4 0.3 . 1 . . . . 146 LEU CD1 . 16682 1
1247 . 1 1 146 146 LEU CD2 C 13 23.7 0.3 . 1 . . . . 146 LEU CD2 . 16682 1
1248 . 1 1 146 146 LEU CG C 13 27.4 0.3 . 1 . . . . 146 LEU CG . 16682 1
1249 . 1 1 146 146 LEU N N 15 125.4 0.3 . 1 . . . . 146 LEU N . 16682 1
1250 . 1 1 147 147 PRO HA H 1 4.58 0.02 . 1 . . . . 147 PRO HA . 16682 1
1251 . 1 1 147 147 PRO HB2 H 1 2.39 0.02 . 2 . . . . 147 PRO HB2 . 16682 1
1252 . 1 1 147 147 PRO HB3 H 1 1.92 0.02 . 2 . . . . 147 PRO HB3 . 16682 1
1253 . 1 1 147 147 PRO C C 13 176.2 0.3 . 1 . . . . 147 PRO C . 16682 1
1254 . 1 1 147 147 PRO CA C 13 63.3 0.3 . 1 . . . . 147 PRO CA . 16682 1
1255 . 1 1 147 147 PRO CB C 13 33.6 0.3 . 1 . . . . 147 PRO CB . 16682 1
1256 . 1 1 147 147 PRO CD C 13 52.2 0.3 . 1 . . . . 147 PRO CD . 16682 1
1257 . 1 1 147 147 PRO CG C 13 28.3 0.3 . 1 . . . . 147 PRO CG . 16682 1
1258 . 1 1 148 148 ARG H H 1 8.53 0.02 . 1 . . . . 148 ARG H . 16682 1
1259 . 1 1 148 148 ARG HA H 1 4.27 0.02 . 1 . . . . 148 ARG HA . 16682 1
1260 . 1 1 148 148 ARG C C 13 175.5 0.3 . 1 . . . . 148 ARG C . 16682 1
1261 . 1 1 148 148 ARG CA C 13 58.3 0.3 . 1 . . . . 148 ARG CA . 16682 1
1262 . 1 1 148 148 ARG CB C 13 32.4 0.3 . 1 . . . . 148 ARG CB . 16682 1
1263 . 1 1 148 148 ARG CD C 13 44.8 0.3 . 1 . . . . 148 ARG CD . 16682 1
1264 . 1 1 148 148 ARG CG C 13 28.1 0.3 . 1 . . . . 148 ARG CG . 16682 1
1265 . 1 1 148 148 ARG N N 15 120.6 0.3 . 1 . . . . 148 ARG N . 16682 1
1266 . 1 1 149 149 GLN H H 1 7.68 0.02 . 1 . . . . 149 GLN H . 16682 1
1267 . 1 1 149 149 GLN HA H 1 4.72 0.02 . 1 . . . . 149 GLN HA . 16682 1
1268 . 1 1 149 149 GLN C C 13 174.3 0.3 . 1 . . . . 149 GLN C . 16682 1
1269 . 1 1 149 149 GLN CA C 13 55.9 0.3 . 1 . . . . 149 GLN CA . 16682 1
1270 . 1 1 149 149 GLN CB C 13 29.7 0.3 . 1 . . . . 149 GLN CB . 16682 1
1271 . 1 1 149 149 GLN CG C 13 37.4 0.3 . 1 . . . . 149 GLN CG . 16682 1
1272 . 1 1 149 149 GLN N N 15 115.2 0.3 . 1 . . . . 149 GLN N . 16682 1
1273 . 1 1 150 150 GLU H H 1 8.61 0.02 . 1 . . . . 150 GLU H . 16682 1
1274 . 1 1 150 150 GLU HA H 1 4.47 0.02 . 1 . . . . 150 GLU HA . 16682 1
1275 . 1 1 150 150 GLU HB2 H 1 2.22 0.02 . 2 . . . . 150 GLU HB2 . 16682 1
1276 . 1 1 150 150 GLU HB3 H 1 1.72 0.02 . 2 . . . . 150 GLU HB3 . 16682 1
1277 . 1 1 150 150 GLU C C 13 175.8 0.3 . 1 . . . . 150 GLU C . 16682 1
1278 . 1 1 150 150 GLU CA C 13 56.3 0.3 . 1 . . . . 150 GLU CA . 16682 1
1279 . 1 1 150 150 GLU CB C 13 32.4 0.3 . 1 . . . . 150 GLU CB . 16682 1
1280 . 1 1 150 150 GLU CG C 13 37.0 0.3 . 1 . . . . 150 GLU CG . 16682 1
1281 . 1 1 150 150 GLU N N 15 118.0 0.3 . 1 . . . . 150 GLU N . 16682 1
1282 . 1 1 151 151 GLU H H 1 8.01 0.02 . 1 . . . . 151 GLU H . 16682 1
1283 . 1 1 151 151 GLU HA H 1 4.26 0.02 . 1 . . . . 151 GLU HA . 16682 1
1284 . 1 1 151 151 GLU C C 13 176.0 0.3 . 1 . . . . 151 GLU C . 16682 1
1285 . 1 1 151 151 GLU CA C 13 59.5 0.3 . 1 . . . . 151 GLU CA . 16682 1
1286 . 1 1 151 151 GLU CB C 13 32.2 0.3 . 1 . . . . 151 GLU CB . 16682 1
1287 . 1 1 151 151 GLU CG C 13 37.7 0.3 . 1 . . . . 151 GLU CG . 16682 1
1288 . 1 1 151 151 GLU N N 15 119.1 0.3 . 1 . . . . 151 GLU N . 16682 1
1289 . 1 1 152 152 CYS H H 1 9.59 0.02 . 1 . . . . 152 CYS H . 16682 1
1290 . 1 1 152 152 CYS HA H 1 5.14 0.02 . 1 . . . . 152 CYS HA . 16682 1
1291 . 1 1 152 152 CYS HB2 H 1 3.09 0.02 . 2 . . . . 152 CYS HB2 . 16682 1
1292 . 1 1 152 152 CYS HB3 H 1 2.60 0.02 . 2 . . . . 152 CYS HB3 . 16682 1
1293 . 1 1 152 152 CYS C C 13 172.8 0.3 . 1 . . . . 152 CYS C . 16682 1
1294 . 1 1 152 152 CYS CA C 13 54.0 0.3 . 1 . . . . 152 CYS CA . 16682 1
1295 . 1 1 152 152 CYS CB C 13 34.9 0.3 . 1 . . . . 152 CYS CB . 16682 1
1296 . 1 1 152 152 CYS N N 15 122.1 0.3 . 1 . . . . 152 CYS N . 16682 1
1297 . 1 1 153 153 THR H H 1 8.48 0.02 . 1 . . . . 153 THR H . 16682 1
1298 . 1 1 153 153 THR HA H 1 4.86 0.02 . 1 . . . . 153 THR HA . 16682 1
1299 . 1 1 153 153 THR HB H 1 4.12 0.02 . 1 . . . . 153 THR HB . 16682 1
1300 . 1 1 153 153 THR HG21 H 1 1.01 0.02 . 1 . . . . 153 THR HG2 . 16682 1
1301 . 1 1 153 153 THR HG22 H 1 1.01 0.02 . 1 . . . . 153 THR HG2 . 16682 1
1302 . 1 1 153 153 THR HG23 H 1 1.01 0.02 . 1 . . . . 153 THR HG2 . 16682 1
1303 . 1 1 153 153 THR C C 13 173.0 0.3 . 1 . . . . 153 THR C . 16682 1
1304 . 1 1 153 153 THR CA C 13 59.8 0.3 . 1 . . . . 153 THR CA . 16682 1
1305 . 1 1 153 153 THR CB C 13 72.5 0.3 . 1 . . . . 153 THR CB . 16682 1
1306 . 1 1 153 153 THR CG2 C 13 21.8 0.3 . 1 . . . . 153 THR CG2 . 16682 1
1307 . 1 1 153 153 THR N N 15 118.0 0.3 . 1 . . . . 153 THR N . 16682 1
1308 . 1 1 154 154 VAL H H 1 6.97 0.02 . 1 . . . . 154 VAL H . 16682 1
1309 . 1 1 154 154 VAL HA H 1 4.12 0.02 . 1 . . . . 154 VAL HA . 16682 1
1310 . 1 1 154 154 VAL HB H 1 1.99 0.02 . 1 . . . . 154 VAL HB . 16682 1
1311 . 1 1 154 154 VAL HG11 H 1 0.62 0.02 . 1 . . . . 154 VAL HG1 . 16682 1
1312 . 1 1 154 154 VAL HG12 H 1 0.62 0.02 . 1 . . . . 154 VAL HG1 . 16682 1
1313 . 1 1 154 154 VAL HG13 H 1 0.62 0.02 . 1 . . . . 154 VAL HG1 . 16682 1
1314 . 1 1 154 154 VAL HG21 H 1 0.70 0.02 . 1 . . . . 154 VAL HG2 . 16682 1
1315 . 1 1 154 154 VAL HG22 H 1 0.70 0.02 . 1 . . . . 154 VAL HG2 . 16682 1
1316 . 1 1 154 154 VAL HG23 H 1 0.70 0.02 . 1 . . . . 154 VAL HG2 . 16682 1
1317 . 1 1 154 154 VAL C C 13 175.5 0.3 . 1 . . . . 154 VAL C . 16682 1
1318 . 1 1 154 154 VAL CA C 13 62.0 0.3 . 1 . . . . 154 VAL CA . 16682 1
1319 . 1 1 154 154 VAL CB C 13 33.1 0.3 . 1 . . . . 154 VAL CB . 16682 1
1320 . 1 1 154 154 VAL CG1 C 13 21.0 0.3 . 1 . . . . 154 VAL CG1 . 16682 1
1321 . 1 1 154 154 VAL CG2 C 13 22.9 0.3 . 1 . . . . 154 VAL CG2 . 16682 1
1322 . 1 1 154 154 VAL N N 15 115.6 0.3 . 1 . . . . 154 VAL N . 16682 1
1323 . 1 1 155 155 ASP H H 1 8.37 0.02 . 1 . . . . 155 ASP H . 16682 1
1324 . 1 1 155 155 ASP HA H 1 4.49 0.02 . 1 . . . . 155 ASP HA . 16682 1
1325 . 1 1 155 155 ASP HB2 H 1 2.66 0.02 . 2 . . . . 155 ASP HB2 . 16682 1
1326 . 1 1 155 155 ASP HB3 H 1 2.42 0.02 . 2 . . . . 155 ASP HB3 . 16682 1
1327 . 1 1 155 155 ASP C C 13 175.8 0.3 . 1 . . . . 155 ASP C . 16682 1
1328 . 1 1 155 155 ASP CA C 13 55.7 0.3 . 1 . . . . 155 ASP CA . 16682 1
1329 . 1 1 155 155 ASP CB C 13 42.3 0.3 . 1 . . . . 155 ASP CB . 16682 1
1330 . 1 1 155 155 ASP N N 15 124.3 0.3 . 1 . . . . 155 ASP N . 16682 1
1331 . 1 1 156 156 GLU H H 1 8.44 0.02 . 1 . . . . 156 GLU H . 16682 1
1332 . 1 1 156 156 GLU HA H 1 4.17 0.02 . 1 . . . . 156 GLU HA . 16682 1
1333 . 1 1 156 156 GLU HB2 H 1 2.03 0.02 . 2 . . . . 156 GLU HB2 . 16682 1
1334 . 1 1 156 156 GLU HB3 H 1 1.83 0.02 . 2 . . . . 156 GLU HB3 . 16682 1
1335 . 1 1 156 156 GLU HG2 H 1 2.20 0.02 . 2 . . . . 156 GLU HG2 . 16682 1
1336 . 1 1 156 156 GLU HG3 H 1 2.03 0.02 . 2 . . . . 156 GLU HG3 . 16682 1
1337 . 1 1 156 156 GLU C C 13 175.4 0.3 . 1 . . . . 156 GLU C . 16682 1
1338 . 1 1 156 156 GLU CA C 13 57.5 0.3 . 1 . . . . 156 GLU CA . 16682 1
1339 . 1 1 156 156 GLU CB C 13 31.4 0.3 . 1 . . . . 156 GLU CB . 16682 1
1340 . 1 1 156 156 GLU CG C 13 37.2 0.3 . 1 . . . . 156 GLU CG . 16682 1
1341 . 1 1 156 156 GLU N N 15 121.1 0.3 . 1 . . . . 156 GLU N . 16682 1
1342 . 1 1 157 157 VAL H H 1 7.60 0.02 . 1 . . . . 157 VAL H . 16682 1
1343 . 1 1 157 157 VAL HA H 1 3.95 0.02 . 1 . . . . 157 VAL HA . 16682 1
1344 . 1 1 157 157 VAL HB H 1 2.02 0.02 . 1 . . . . 157 VAL HB . 16682 1
1345 . 1 1 157 157 VAL C C 13 180.7 0.3 . 1 . . . . 157 VAL C . 16682 1
1346 . 1 1 157 157 VAL CA C 13 64.4 0.3 . 1 . . . . 157 VAL CA . 16682 1
1347 . 1 1 157 157 VAL CB C 13 34.2 0.3 . 1 . . . . 157 VAL CB . 16682 1
1348 . 1 1 157 157 VAL CG1 C 13 21.3 0.3 . 1 . . . . 157 VAL CG1 . 16682 1
1349 . 1 1 157 157 VAL N N 15 124.0 0.3 . 1 . . . . 157 VAL N . 16682 1
1350 . 2 2 1 1 EB4 H13 H 1 6.67 0.02 . 1 . . . . . ENT H13 . 16682 1
1351 . 2 2 1 1 EB4 H10 H 1 6.05 0.02 . 1 . . . . . ENT H10 . 16682 1
1352 . 2 2 1 1 EB4 H7 H 1 6.27 0.02 . 1 . . . . . ENT H7 . 16682 1
1353 . 2 2 1 1 EB4 H15 H 1 5.98 0.02 . 1 . . . . . ENT H15 . 16682 1
1354 . 2 2 1 1 EB4 H12 H 1 6.01 0.02 . 1 . . . . . ENT H12 . 16682 1
1355 . 2 2 1 1 EB4 H9 H 1 6.99 0.02 . 1 . . . . . ENT H9 . 16682 1
1356 . 2 2 1 1 EB4 H14 H 1 6.37 0.02 . 1 . . . . . ENT H14 . 16682 1
1357 . 2 2 1 1 EB4 H11 H 1 5.84 0.02 . 1 . . . . . ENT H11 . 16682 1
1358 . 2 2 1 1 EB4 H8 H 1 6.25 0.02 . 1 . . . . . ENT H8 . 16682 1
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