data_36005
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 36005
_Entry.Title
;
The NMR structure of calmodulin in CTAB reverse micelles
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2016-06-16
_Entry.Accession_date 2016-07-08
_Entry.Last_release_date 2016-09-26
_Entry.Original_release_date 2016-09-26
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.2.6
_Entry.Original_NMR_STAR_version 3.1.1.99
_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.ORCID
_Entry_author.Entry_ID
1 G. Xu G. . . . 36005
2 K. Cheng K. . . . 36005
3 Q. Wu Q. . . . 36005
4 M. Liu M. . . . 36005
5 C. Li C. . . . 36005
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'SIGNALING PROTEIN' . 36005
compact . 36005
two-domain . 36005
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 36005
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 361 36005
'15N chemical shifts' 139 36005
'1H chemical shifts' 787 36005
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2016-09-26 . original BMRB . 36005
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 5GGM 'BMRB Entry Tracking System' 36005
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 36005
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title
;
The NMR structure of calmodulin in CTAB reverse micelles
;
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev .
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD 0353
_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 .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 G. Xu G. . . . 36005 1
2 K. Cheng K. . . . 36005 1
3 Q. Wu Q. . . . 36005 1
4 M. Liu M. . . . 36005 1
5 C. Li C. . . . 36005 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 36005
_Assembly.ID 1
_Assembly.Name Calmodulin
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_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 entity_1 1 $entity_1 A A yes . . . . . . 36005 1
2 entity_CA 2 $entity_CA B A no . . . . . . 36005 1
3 entity_CA 2 $entity_CA C A no . . . . . . 36005 1
4 entity_CA 2 $entity_CA D A no . . . . . . 36005 1
5 entity_TB 3 $entity_TB E A no . . . . . . 36005 1
stop_
loop_
_Bond.ID
_Bond.Type
_Bond.Value_order
_Bond.Assembly_atom_ID_1
_Bond.Entity_assembly_ID_1
_Bond.Entity_assembly_name_1
_Bond.Entity_ID_1
_Bond.Comp_ID_1
_Bond.Comp_index_ID_1
_Bond.Seq_ID_1
_Bond.Atom_ID_1
_Bond.Assembly_atom_ID_2
_Bond.Entity_assembly_ID_2
_Bond.Entity_assembly_name_2
_Bond.Entity_ID_2
_Bond.Comp_ID_2
_Bond.Comp_index_ID_2
_Bond.Seq_ID_2
_Bond.Atom_ID_2
_Bond.Auth_entity_assembly_ID_1
_Bond.Auth_entity_assembly_name_1
_Bond.Auth_seq_ID_1
_Bond.Auth_comp_ID_1
_Bond.Auth_atom_ID_1
_Bond.Auth_entity_assembly_ID_2
_Bond.Auth_entity_assembly_name_2
_Bond.Auth_seq_ID_2
_Bond.Auth_comp_ID_2
_Bond.Auth_atom_ID_2
_Bond.Entry_ID
_Bond.Assembly_ID
1 'metal coordination' single . 1 entity_1 1 ASP 20 20 OD2 . 2 entity_CA 2 CA 1 1 CA . . ASP 20 OD2 . . . . CA 36005 1
2 'metal coordination' single . 1 entity_1 1 GLU 31 31 OE2 . 2 entity_CA 2 CA 1 1 CA . . GLU 31 OE2 . . . . CA 36005 1
3 'metal coordination' single . 1 entity_1 1 ASP 56 56 OD1 . 5 entity_TB 3 TB 1 1 TB . . ASP 56 OD1 . . . . TB 36005 1
4 'metal coordination' single . 1 entity_1 1 ASP 58 58 OD2 . 5 entity_TB 3 TB 1 1 TB . . ASP 58 OD2 . . . . TB 36005 1
5 'metal coordination' single . 1 entity_1 1 ASP 60 60 OD1 . 5 entity_TB 3 TB 1 1 TB . . ASP 60 OD1 . . . . TB 36005 1
6 'metal coordination' single . 1 entity_1 1 ASP 60 60 OD2 . 5 entity_TB 3 TB 1 1 TB . . ASP 60 OD2 . . . . TB 36005 1
7 'metal coordination' single . 1 entity_1 1 THR 62 62 O . 5 entity_TB 3 TB 1 1 TB . . THR 62 O . . . . TB 36005 1
8 'metal coordination' single . 1 entity_1 1 GLU 67 67 OE1 . 5 entity_TB 3 TB 1 1 TB . . GLU 67 OE1 . . . . TB 36005 1
9 'metal coordination' single . 1 entity_1 1 GLU 67 67 OE2 . 5 entity_TB 3 TB 1 1 TB . . GLU 67 OE2 . . . . TB 36005 1
10 'metal coordination' single . 1 entity_1 1 ASP 93 93 OD1 . 3 entity_CA 2 CA 1 1 CA . . ASP 93 OD1 . . . . CA 36005 1
11 'metal coordination' single . 1 entity_1 1 GLU 11 11 OE1 . 3 entity_CA 2 CA 1 1 CA . . GLU 11 OE1 . . . . CA 36005 1
12 'metal coordination' single . 1 entity_1 1 GLU 14 14 OE1 . 4 entity_CA 2 CA 1 1 CA . . GLU 14 OE1 . . . . CA 36005 1
13 'metal coordination' single . 1 entity_1 1 GLU 14 14 OE2 . 4 entity_CA 2 CA 1 1 CA . . GLU 14 OE2 . . . . CA 36005 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 36005
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity_1
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
ADQLTEEQIAEFKEAFSLFD
KDGDGTITTKELGTVMRSLG
QNPTEAELQDMINEVDADGD
GTIDFPEFLTMMARKMKDTD
SEEEIREAFRVFDKDGNGYI
SAAELRHVMTNLGEKLTDEE
VDEMIREADIDGDGQVNYEE
FVQMMTAK
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer no
_Entity.Nstd_chirality .
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 148
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation N60D
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 16722.334
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
CaM na 36005 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 1 ALA . 36005 1
2 2 ASP . 36005 1
3 3 GLN . 36005 1
4 4 LEU . 36005 1
5 5 THR . 36005 1
6 6 GLU . 36005 1
7 7 GLU . 36005 1
8 8 GLN . 36005 1
9 9 ILE . 36005 1
10 10 ALA . 36005 1
11 11 GLU . 36005 1
12 12 PHE . 36005 1
13 13 LYS . 36005 1
14 14 GLU . 36005 1
15 15 ALA . 36005 1
16 16 PHE . 36005 1
17 17 SER . 36005 1
18 18 LEU . 36005 1
19 19 PHE . 36005 1
20 20 ASP . 36005 1
21 21 LYS . 36005 1
22 22 ASP . 36005 1
23 23 GLY . 36005 1
24 24 ASP . 36005 1
25 25 GLY . 36005 1
26 26 THR . 36005 1
27 27 ILE . 36005 1
28 28 THR . 36005 1
29 29 THR . 36005 1
30 30 LYS . 36005 1
31 31 GLU . 36005 1
32 32 LEU . 36005 1
33 33 GLY . 36005 1
34 34 THR . 36005 1
35 35 VAL . 36005 1
36 36 MET . 36005 1
37 37 ARG . 36005 1
38 38 SER . 36005 1
39 39 LEU . 36005 1
40 40 GLY . 36005 1
41 41 GLN . 36005 1
42 42 ASN . 36005 1
43 43 PRO . 36005 1
44 44 THR . 36005 1
45 45 GLU . 36005 1
46 46 ALA . 36005 1
47 47 GLU . 36005 1
48 48 LEU . 36005 1
49 49 GLN . 36005 1
50 50 ASP . 36005 1
51 51 MET . 36005 1
52 52 ILE . 36005 1
53 53 ASN . 36005 1
54 54 GLU . 36005 1
55 55 VAL . 36005 1
56 56 ASP . 36005 1
57 57 ALA . 36005 1
58 58 ASP . 36005 1
59 59 GLY . 36005 1
60 60 ASP . 36005 1
61 61 GLY . 36005 1
62 62 THR . 36005 1
63 63 ILE . 36005 1
64 64 ASP . 36005 1
65 65 PHE . 36005 1
66 66 PRO . 36005 1
67 67 GLU . 36005 1
68 68 PHE . 36005 1
69 69 LEU . 36005 1
70 70 THR . 36005 1
71 71 MET . 36005 1
72 72 MET . 36005 1
73 73 ALA . 36005 1
74 74 ARG . 36005 1
75 75 LYS . 36005 1
76 76 MET . 36005 1
77 77 LYS . 36005 1
78 78 ASP . 36005 1
79 79 THR . 36005 1
80 80 ASP . 36005 1
81 81 SER . 36005 1
82 82 GLU . 36005 1
83 83 GLU . 36005 1
84 84 GLU . 36005 1
85 85 ILE . 36005 1
86 86 ARG . 36005 1
87 87 GLU . 36005 1
88 88 ALA . 36005 1
89 89 PHE . 36005 1
90 90 ARG . 36005 1
91 91 VAL . 36005 1
92 92 PHE . 36005 1
93 93 ASP . 36005 1
94 94 LYS . 36005 1
95 95 ASP . 36005 1
96 96 GLY . 36005 1
97 97 ASN . 36005 1
98 98 GLY . 36005 1
99 99 TYR . 36005 1
100 100 ILE . 36005 1
101 101 SER . 36005 1
102 102 ALA . 36005 1
103 103 ALA . 36005 1
104 104 GLU . 36005 1
105 105 LEU . 36005 1
106 106 ARG . 36005 1
107 107 HIS . 36005 1
108 108 VAL . 36005 1
109 109 MET . 36005 1
110 110 THR . 36005 1
111 111 ASN . 36005 1
112 112 LEU . 36005 1
113 113 GLY . 36005 1
114 114 GLU . 36005 1
115 115 LYS . 36005 1
116 116 LEU . 36005 1
117 117 THR . 36005 1
118 118 ASP . 36005 1
119 119 GLU . 36005 1
120 120 GLU . 36005 1
121 121 VAL . 36005 1
122 122 ASP . 36005 1
123 123 GLU . 36005 1
124 124 MET . 36005 1
125 125 ILE . 36005 1
126 126 ARG . 36005 1
127 127 GLU . 36005 1
128 128 ALA . 36005 1
129 129 ASP . 36005 1
130 130 ILE . 36005 1
131 131 ASP . 36005 1
132 132 GLY . 36005 1
133 133 ASP . 36005 1
134 134 GLY . 36005 1
135 135 GLN . 36005 1
136 136 VAL . 36005 1
137 137 ASN . 36005 1
138 138 TYR . 36005 1
139 139 GLU . 36005 1
140 140 GLU . 36005 1
141 141 PHE . 36005 1
142 142 VAL . 36005 1
143 143 GLN . 36005 1
144 144 MET . 36005 1
145 145 MET . 36005 1
146 146 THR . 36005 1
147 147 ALA . 36005 1
148 148 LYS . 36005 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
. ALA 1 1 36005 1
. ASP 2 2 36005 1
. GLN 3 3 36005 1
. LEU 4 4 36005 1
. THR 5 5 36005 1
. GLU 6 6 36005 1
. GLU 7 7 36005 1
. GLN 8 8 36005 1
. ILE 9 9 36005 1
. ALA 10 10 36005 1
. GLU 11 11 36005 1
. PHE 12 12 36005 1
. LYS 13 13 36005 1
. GLU 14 14 36005 1
. ALA 15 15 36005 1
. PHE 16 16 36005 1
. SER 17 17 36005 1
. LEU 18 18 36005 1
. PHE 19 19 36005 1
. ASP 20 20 36005 1
. LYS 21 21 36005 1
. ASP 22 22 36005 1
. GLY 23 23 36005 1
. ASP 24 24 36005 1
. GLY 25 25 36005 1
. THR 26 26 36005 1
. ILE 27 27 36005 1
. THR 28 28 36005 1
. THR 29 29 36005 1
. LYS 30 30 36005 1
. GLU 31 31 36005 1
. LEU 32 32 36005 1
. GLY 33 33 36005 1
. THR 34 34 36005 1
. VAL 35 35 36005 1
. MET 36 36 36005 1
. ARG 37 37 36005 1
. SER 38 38 36005 1
. LEU 39 39 36005 1
. GLY 40 40 36005 1
. GLN 41 41 36005 1
. ASN 42 42 36005 1
. PRO 43 43 36005 1
. THR 44 44 36005 1
. GLU 45 45 36005 1
. ALA 46 46 36005 1
. GLU 47 47 36005 1
. LEU 48 48 36005 1
. GLN 49 49 36005 1
. ASP 50 50 36005 1
. MET 51 51 36005 1
. ILE 52 52 36005 1
. ASN 53 53 36005 1
. GLU 54 54 36005 1
. VAL 55 55 36005 1
. ASP 56 56 36005 1
. ALA 57 57 36005 1
. ASP 58 58 36005 1
. GLY 59 59 36005 1
. ASP 60 60 36005 1
. GLY 61 61 36005 1
. THR 62 62 36005 1
. ILE 63 63 36005 1
. ASP 64 64 36005 1
. PHE 65 65 36005 1
. PRO 66 66 36005 1
. GLU 67 67 36005 1
. PHE 68 68 36005 1
. LEU 69 69 36005 1
. THR 70 70 36005 1
. MET 71 71 36005 1
. MET 72 72 36005 1
. ALA 73 73 36005 1
. ARG 74 74 36005 1
. LYS 75 75 36005 1
. MET 76 76 36005 1
. LYS 77 77 36005 1
. ASP 78 78 36005 1
. THR 79 79 36005 1
. ASP 80 80 36005 1
. SER 81 81 36005 1
. GLU 82 82 36005 1
. GLU 83 83 36005 1
. GLU 84 84 36005 1
. ILE 85 85 36005 1
. ARG 86 86 36005 1
. GLU 87 87 36005 1
. ALA 88 88 36005 1
. PHE 89 89 36005 1
. ARG 90 90 36005 1
. VAL 91 91 36005 1
. PHE 92 92 36005 1
. ASP 93 93 36005 1
. LYS 94 94 36005 1
. ASP 95 95 36005 1
. GLY 96 96 36005 1
. ASN 97 97 36005 1
. GLY 98 98 36005 1
. TYR 99 99 36005 1
. ILE 100 100 36005 1
. SER 101 101 36005 1
. ALA 102 102 36005 1
. ALA 103 103 36005 1
. GLU 104 104 36005 1
. LEU 105 105 36005 1
. ARG 106 106 36005 1
. HIS 107 107 36005 1
. VAL 108 108 36005 1
. MET 109 109 36005 1
. THR 110 110 36005 1
. ASN 111 111 36005 1
. LEU 112 112 36005 1
. GLY 113 113 36005 1
. GLU 114 114 36005 1
. LYS 115 115 36005 1
. LEU 116 116 36005 1
. THR 117 117 36005 1
. ASP 118 118 36005 1
. GLU 119 119 36005 1
. GLU 120 120 36005 1
. VAL 121 121 36005 1
. ASP 122 122 36005 1
. GLU 123 123 36005 1
. MET 124 124 36005 1
. ILE 125 125 36005 1
. ARG 126 126 36005 1
. GLU 127 127 36005 1
. ALA 128 128 36005 1
. ASP 129 129 36005 1
. ILE 130 130 36005 1
. ASP 131 131 36005 1
. GLY 132 132 36005 1
. ASP 133 133 36005 1
. GLY 134 134 36005 1
. GLN 135 135 36005 1
. VAL 136 136 36005 1
. ASN 137 137 36005 1
. TYR 138 138 36005 1
. GLU 139 139 36005 1
. GLU 140 140 36005 1
. PHE 141 141 36005 1
. VAL 142 142 36005 1
. GLN 143 143 36005 1
. MET 144 144 36005 1
. MET 145 145 36005 1
. THR 146 146 36005 1
. ALA 147 147 36005 1
. LYS 148 148 36005 1
stop_
save_
save_entity_CA
_Entity.Sf_category entity
_Entity.Sf_framecode entity_CA
_Entity.Entry_ID 36005
_Entity.ID 2
_Entity.BMRB_code CA
_Entity.Name 'CALCIUM ION'
_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 .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID CA
_Entity.Nonpolymer_comp_label $chem_comp_CA
_Entity.Number_of_monomers .
_Entity.Number_of_nonpolymer_components 1
_Entity.Paramagnetic .
_Entity.Thiol_state .
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 40.078
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'CALCIUM ION' BMRB 36005 2
stop_
loop_
_Entity_systematic_name.Name
_Entity_systematic_name.Naming_system
_Entity_systematic_name.Entry_ID
_Entity_systematic_name.Entity_ID
'CALCIUM ION' BMRB 36005 2
CA 'Three letter code' 36005 2
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 1 CA $chem_comp_CA 36005 2
stop_
save_
save_entity_TB
_Entity.Sf_category entity
_Entity.Sf_framecode entity_TB
_Entity.Entry_ID 36005
_Entity.ID 3
_Entity.BMRB_code TB
_Entity.Name 'TERBIUM(III) ION'
_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 .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID TB
_Entity.Nonpolymer_comp_label $chem_comp_TB
_Entity.Number_of_monomers .
_Entity.Number_of_nonpolymer_components 1
_Entity.Paramagnetic .
_Entity.Thiol_state .
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 158.925
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'TERBIUM(III) ION' BMRB 36005 3
stop_
loop_
_Entity_systematic_name.Name
_Entity_systematic_name.Naming_system
_Entity_systematic_name.Entry_ID
_Entity_systematic_name.Entity_ID
'TERBIUM(III) ION' BMRB 36005 3
TB 'Three letter code' 36005 3
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 1 TB $chem_comp_TB 36005 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 36005
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Details
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'CALM, CAM' . 36005 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 36005
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Details
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 83333 Escherichia coli K-12 . . . . . . . . . 36005 1
stop_
save_
#################################
# Polymer residues and ligands #
#################################
save_chem_comp_CA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_CA
_Chem_comp.Entry_ID 36005
_Chem_comp.ID CA
_Chem_comp.Provenance PDB
_Chem_comp.Name 'CALCIUM ION'
_Chem_comp.Type NON-POLYMER
_Chem_comp.BMRB_code CA
_Chem_comp.PDB_code CA
_Chem_comp.Ambiguous_flag no
_Chem_comp.Initial_date 2012-11-20
_Chem_comp.Modified_date 2012-11-20
_Chem_comp.Release_status REL
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code CA
_Chem_comp.Number_atoms_all 1
_Chem_comp.Number_atoms_nh 1
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code InChI=1S/Ca/q+2
_Chem_comp.Mon_nstd_flag .
_Chem_comp.Mon_nstd_class .
_Chem_comp.Mon_nstd_details .
_Chem_comp.Mon_nstd_parent .
_Chem_comp.Mon_nstd_parent_comp_ID .
_Chem_comp.Std_deriv_one_letter_code .
_Chem_comp.Std_deriv_three_letter_code .
_Chem_comp.Std_deriv_BMRB_code .
_Chem_comp.Std_deriv_PDB_code .
_Chem_comp.Std_deriv_chem_comp_name .
_Chem_comp.Synonyms .
_Chem_comp.Formal_charge 2
_Chem_comp.Paramagnetic .
_Chem_comp.Aromatic no
_Chem_comp.Formula Ca
_Chem_comp.Formula_weight 40.078
_Chem_comp.Formula_mono_iso_wt_nat .
_Chem_comp.Formula_mono_iso_wt_13C .
_Chem_comp.Formula_mono_iso_wt_15N .
_Chem_comp.Formula_mono_iso_wt_13C_15N .
_Chem_comp.Image_file_name .
_Chem_comp.Image_file_format .
_Chem_comp.Topo_file_name .
_Chem_comp.Topo_file_format .
_Chem_comp.Struct_file_name .
_Chem_comp.Struct_file_format .
_Chem_comp.Stereochem_param_file_name .
_Chem_comp.Stereochem_param_file_format .
_Chem_comp.Model_details .
_Chem_comp.Model_erf .
_Chem_comp.Model_source .
_Chem_comp.Model_coordinates_details .
_Chem_comp.Model_coordinates_missing_flag no
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag no
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site RCSB
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details .
_Chem_comp.DB_query_date .
_Chem_comp.DB_last_query_revised_last_date .
loop_
_Chem_comp_descriptor.Descriptor
_Chem_comp_descriptor.Type
_Chem_comp_descriptor.Program
_Chem_comp_descriptor.Program_version
_Chem_comp_descriptor.Entry_ID
_Chem_comp_descriptor.Comp_ID
BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 36005 CA
InChI=1S/Ca/q+2 InChI InChI 1.03 36005 CA
[Ca++] SMILES CACTVS 3.341 36005 CA
[Ca++] SMILES_CANONICAL CACTVS 3.341 36005 CA
[Ca+2] SMILES ACDLabs 10.04 36005 CA
[Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 36005 CA
[Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 36005 CA
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
calcium 'SYSTEMATIC NAME' ACDLabs 10.04 36005 CA
'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 36005 CA
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
CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 36005 CA
stop_
save_
save_chem_comp_TB
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_TB
_Chem_comp.Entry_ID 36005
_Chem_comp.ID TB
_Chem_comp.Provenance PDB
_Chem_comp.Name 'TERBIUM(III) ION'
_Chem_comp.Type NON-POLYMER
_Chem_comp.BMRB_code TB
_Chem_comp.PDB_code TB
_Chem_comp.Ambiguous_flag no
_Chem_comp.Initial_date 2012-11-20
_Chem_comp.Modified_date 2012-11-20
_Chem_comp.Release_status REL
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code TB
_Chem_comp.Number_atoms_all 1
_Chem_comp.Number_atoms_nh 1
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code InChI=1S/Tb/q+3
_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 Tb
_Chem_comp.Formula_weight 158.925
_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 PDBJ
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details .
_Chem_comp.DB_query_date .
_Chem_comp.DB_last_query_revised_last_date .
loop_
_Chem_comp_descriptor.Descriptor
_Chem_comp_descriptor.Type
_Chem_comp_descriptor.Program
_Chem_comp_descriptor.Program_version
_Chem_comp_descriptor.Entry_ID
_Chem_comp_descriptor.Comp_ID
HKCRVXUAKWXBLE-UHFFFAOYSA-N InChIKey InChI 1.03 36005 TB
InChI=1S/Tb/q+3 InChI InChI 1.03 36005 TB
[Tb+3] SMILES ACDLabs 10.04 36005 TB
[Tb+3] SMILES CACTVS 3.341 36005 TB
[Tb+3] SMILES 'OpenEye OEToolkits' 1.5.0 36005 TB
[Tb+3] SMILES_CANONICAL CACTVS 3.341 36005 TB
[Tb+3] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 36005 TB
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
'terbium(+3) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 36005 TB
terbium(3+) 'SYSTEMATIC NAME' ACDLabs 10.04 36005 TB
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
TB TB TB TB . TB . . N 3 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 36005 TB
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 36005
_Sample.ID 1
_Sample.Type 'reverse micelle'
_Sample.Sub_type .
_Sample.Details '0.25 mM [U-13C; U-15N; U-2H] Calmodulin, 90% H2O/10% D2O'
_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 Calmodulin '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . protein 0.25 . . mM . . . . 36005 1
2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36005 1
3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36005 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 36005
_Sample.ID 2
_Sample.Type 'reverse micelle'
_Sample.Sub_type .
_Sample.Details '0.25 mM [U-13C; U-15N] Calmodulin, 90% H2O/10% D2O'
_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 Calmodulin '[U-13C; U-15N]' . . 1 $entity_1 . . 0.25 . . mM . . . . 36005 2
2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36005 2
3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36005 2
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 36005
_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' 100 . mM 36005 1
pH 6.5 . pH 36005 1
pressure 1 . atm 36005 1
temperature 298 . K 36005 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 36005
_Software.ID 1
_Software.Name NMRPipe
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36005 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 36005 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 36005
_Software.ID 2
_Software.Name SPARKY
_Software.Version 3.114
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'T. D. Goddard and D. G. Kneller' . . 36005 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 36005 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 36005
_Software.ID 3
_Software.Name TOPSPIN
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bruker Biospin' . . 36005 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 36005 3
stop_
save_
save_software_4
_Software.Sf_category software
_Software.Sf_framecode software_4
_Software.Entry_ID 36005
_Software.ID 4
_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' . . 36005 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 36005 4
'structure calculation' 36005 4
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 36005
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details HCN-cyroprobe
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AvanceIII
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 850
save_
save_NMR_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_2
_NMR_spectrometer.Entry_ID 36005
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details HCN-cyroprobe
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AvanceIII
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 700
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 36005
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 NMR_spectrometer_1 Bruker AvanceIII . 850 . . . 36005 1
2 NMR_spectrometer_2 Bruker AvanceIII . 700 . . . 36005 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 36005
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36005 1
2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36005 1
3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36005 1
4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36005 1
5 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36005 1
6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36005 1
7 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36005 1
8 '3D CBCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36005 1
9 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36005 1
10 '3D 15N_NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36005 1
11 '3D 13C_NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36005 1
12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 36005 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chem_shift_reference_1
_Chem_shift_reference.Entry_ID 36005
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 water protons . . . . ppm 4.65 na indirect 0.251449530 . . . . . 36005 1
H 1 water protons . . . . ppm 4.65 internal direct 1.0 . . . . . 36005 1
N 15 water protons . . . . ppm 4.65 na indirect 0.101329118 . . . . . 36005 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_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 36005
_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 $chem_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
4 '3D HN(CO)CA' 1 $sample_1 isotropic 36005 1
8 '3D CBCANH' 2 $sample_2 isotropic 36005 1
9 '3D HNCA' 2 $sample_2 isotropic 36005 1
10 '3D 15N_NOESY-HSQC' 2 $sample_2 isotropic 36005 1
11 '3D 13C_NOESY-HSQC' 2 $sample_2 isotropic 36005 1
12 '3D HCCH-TOCSY' 2 $sample_2 isotropic 36005 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $software_2 . . 36005 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 3 3 GLN H H 1 8.209 . . . . . . A 3 GLN H . 36005 1
2 . 1 1 3 3 GLN HA H 1 4.315 . . . . . . A 3 GLN HA . 36005 1
3 . 1 1 3 3 GLN HB2 H 1 2.013 . . . . . . A 3 GLN HB2 . 36005 1
4 . 1 1 3 3 GLN HB3 H 1 1.893 . . . . . . A 3 GLN HB3 . 36005 1
5 . 1 1 3 3 GLN HG2 H 1 2.279 . . . . . . A 3 GLN HG2 . 36005 1
6 . 1 1 3 3 GLN HG3 H 1 2.279 . . . . . . A 3 GLN HG3 . 36005 1
7 . 1 1 3 3 GLN CA C 13 54.239 . . . . . . A 3 GLN CA . 36005 1
8 . 1 1 3 3 GLN CB C 13 28.570 . . . . . . A 3 GLN CB . 36005 1
9 . 1 1 3 3 GLN CG C 13 32.536 . . . . . . A 3 GLN CG . 36005 1
10 . 1 1 3 3 GLN N N 15 120.005 . . . . . . A 3 GLN N . 36005 1
11 . 1 1 4 4 LEU H H 1 8.188 . . . . . . A 4 LEU H . 36005 1
12 . 1 1 4 4 LEU HA H 1 4.588 . . . . . . A 4 LEU HA . 36005 1
13 . 1 1 4 4 LEU HB2 H 1 1.667 . . . . . . A 4 LEU HB2 . 36005 1
14 . 1 1 4 4 LEU HB3 H 1 1.424 . . . . . . A 4 LEU HB3 . 36005 1
15 . 1 1 4 4 LEU HD11 H 1 0.843 . . . . . . A 4 LEU HD11 . 36005 1
16 . 1 1 4 4 LEU HD12 H 1 0.843 . . . . . . A 4 LEU HD12 . 36005 1
17 . 1 1 4 4 LEU HD13 H 1 0.843 . . . . . . A 4 LEU HD13 . 36005 1
18 . 1 1 4 4 LEU HD21 H 1 0.834 . . . . . . A 4 LEU HD21 . 36005 1
19 . 1 1 4 4 LEU HD22 H 1 0.834 . . . . . . A 4 LEU HD22 . 36005 1
20 . 1 1 4 4 LEU HD23 H 1 0.834 . . . . . . A 4 LEU HD23 . 36005 1
21 . 1 1 4 4 LEU CA C 13 53.125 . . . . . . A 4 LEU CA . 36005 1
22 . 1 1 4 4 LEU CB C 13 42.209 . . . . . . A 4 LEU CB . 36005 1
23 . 1 1 4 4 LEU CD1 C 13 25.604 . . . . . . A 4 LEU CD1 . 36005 1
24 . 1 1 4 4 LEU CD2 C 13 22.299 . . . . . . A 4 LEU CD2 . 36005 1
25 . 1 1 4 4 LEU N N 15 123.611 . . . . . . A 4 LEU N . 36005 1
26 . 1 1 5 5 THR H H 1 8.678 . . . . . . A 5 THR H . 36005 1
27 . 1 1 5 5 THR HA H 1 4.386 . . . . . . A 5 THR HA . 36005 1
28 . 1 1 5 5 THR HB H 1 4.702 . . . . . . A 5 THR HB . 36005 1
29 . 1 1 5 5 THR HG21 H 1 1.258 . . . . . . A 5 THR HG21 . 36005 1
30 . 1 1 5 5 THR HG22 H 1 1.258 . . . . . . A 5 THR HG22 . 36005 1
31 . 1 1 5 5 THR HG23 H 1 1.258 . . . . . . A 5 THR HG23 . 36005 1
32 . 1 1 5 5 THR CA C 13 59.217 . . . . . . A 5 THR CA . 36005 1
33 . 1 1 5 5 THR CB C 13 69.956 . . . . . . A 5 THR CB . 36005 1
34 . 1 1 5 5 THR CG2 C 13 20.439 . . . . . . A 5 THR CG2 . 36005 1
35 . 1 1 5 5 THR N N 15 113.586 . . . . . . A 5 THR N . 36005 1
36 . 1 1 6 6 GLU H H 1 8.936 . . . . . . A 6 GLU H . 36005 1
37 . 1 1 6 6 GLU HA H 1 3.904 . . . . . . A 6 GLU HA . 36005 1
38 . 1 1 6 6 GLU HB2 H 1 1.982 . . . . . . A 6 GLU HB2 . 36005 1
39 . 1 1 6 6 GLU HB3 H 1 1.982 . . . . . . A 6 GLU HB3 . 36005 1
40 . 1 1 6 6 GLU HG2 H 1 2.306 . . . . . . A 6 GLU HG2 . 36005 1
41 . 1 1 6 6 GLU HG3 H 1 2.306 . . . . . . A 6 GLU HG3 . 36005 1
42 . 1 1 6 6 GLU CA C 13 58.962 . . . . . . A 6 GLU CA . 36005 1
43 . 1 1 6 6 GLU CB C 13 27.980 . . . . . . A 6 GLU CB . 36005 1
44 . 1 1 6 6 GLU CG C 13 35.421 . . . . . . A 6 GLU CG . 36005 1
45 . 1 1 6 6 GLU N N 15 121.101 . . . . . . A 6 GLU N . 36005 1
46 . 1 1 7 7 GLU H H 1 8.627 . . . . . . A 7 GLU H . 36005 1
47 . 1 1 7 7 GLU HA H 1 3.964 . . . . . . A 7 GLU HA . 36005 1
48 . 1 1 7 7 GLU HB2 H 1 1.945 . . . . . . A 7 GLU HB2 . 36005 1
49 . 1 1 7 7 GLU HB3 H 1 1.945 . . . . . . A 7 GLU HB3 . 36005 1
50 . 1 1 7 7 GLU HG2 H 1 2.254 . . . . . . A 7 GLU HG2 . 36005 1
51 . 1 1 7 7 GLU CA C 13 58.871 . . . . . . A 7 GLU CA . 36005 1
52 . 1 1 7 7 GLU CB C 13 27.894 . . . . . . A 7 GLU CB . 36005 1
53 . 1 1 7 7 GLU CG C 13 35.849 . . . . . . A 7 GLU CG . 36005 1
54 . 1 1 7 7 GLU N N 15 120.231 . . . . . . A 7 GLU N . 36005 1
55 . 1 1 8 8 GLN H H 1 7.652 . . . . . . A 8 GLN H . 36005 1
56 . 1 1 8 8 GLN HA H 1 3.875 . . . . . . A 8 GLN HA . 36005 1
57 . 1 1 8 8 GLN HG2 H 1 2.285 . . . . . . A 8 GLN HG2 . 36005 1
58 . 1 1 8 8 GLN HG3 H 1 2.285 . . . . . . A 8 GLN HG3 . 36005 1
59 . 1 1 8 8 GLN CA C 13 57.534 . . . . . . A 8 GLN CA . 36005 1
60 . 1 1 8 8 GLN CB C 13 28.003 . . . . . . A 8 GLN CB . 36005 1
61 . 1 1 8 8 GLN N N 15 120.542 . . . . . . A 8 GLN N . 36005 1
62 . 1 1 9 9 ILE H H 1 8.349 . . . . . . A 9 ILE H . 36005 1
63 . 1 1 9 9 ILE HA H 1 3.611 . . . . . . A 9 ILE HA . 36005 1
64 . 1 1 9 9 ILE HB H 1 1.858 . . . . . . A 9 ILE HB . 36005 1
65 . 1 1 9 9 ILE HG12 H 1 0.977 . . . . . . A 9 ILE HG12 . 36005 1
66 . 1 1 9 9 ILE HG13 H 1 0.977 . . . . . . A 9 ILE HG13 . 36005 1
67 . 1 1 9 9 ILE HG21 H 1 1.069 . . . . . . A 9 ILE HG21 . 36005 1
68 . 1 1 9 9 ILE HG22 H 1 1.069 . . . . . . A 9 ILE HG22 . 36005 1
69 . 1 1 9 9 ILE HG23 H 1 1.069 . . . . . . A 9 ILE HG23 . 36005 1
70 . 1 1 9 9 ILE HD11 H 1 0.780 . . . . . . A 9 ILE HD11 . 36005 1
71 . 1 1 9 9 ILE HD12 H 1 0.780 . . . . . . A 9 ILE HD12 . 36005 1
72 . 1 1 9 9 ILE HD13 H 1 0.780 . . . . . . A 9 ILE HD13 . 36005 1
73 . 1 1 9 9 ILE CA C 13 65.274 . . . . . . A 9 ILE CA . 36005 1
74 . 1 1 9 9 ILE CB C 13 36.724 . . . . . . A 9 ILE CB . 36005 1
75 . 1 1 9 9 ILE CG1 C 13 29.044 . . . . . . A 9 ILE CG1 . 36005 1
76 . 1 1 9 9 ILE CG2 C 13 16.170 . . . . . . A 9 ILE CG2 . 36005 1
77 . 1 1 9 9 ILE CD1 C 13 11.783 . . . . . . A 9 ILE CD1 . 36005 1
78 . 1 1 9 9 ILE N N 15 120.139 . . . . . . A 9 ILE N . 36005 1
79 . 1 1 10 10 ALA H H 1 7.884 . . . . . . A 10 ALA H . 36005 1
80 . 1 1 10 10 ALA HA H 1 4.030 . . . . . . A 10 ALA HA . 36005 1
81 . 1 1 10 10 ALA HB1 H 1 1.458 . . . . . . A 10 ALA HB1 . 36005 1
82 . 1 1 10 10 ALA HB2 H 1 1.458 . . . . . . A 10 ALA HB2 . 36005 1
83 . 1 1 10 10 ALA HB3 H 1 1.458 . . . . . . A 10 ALA HB3 . 36005 1
84 . 1 1 10 10 ALA CA C 13 54.128 . . . . . . A 10 ALA CA . 36005 1
85 . 1 1 10 10 ALA CB C 13 16.565 . . . . . . A 10 ALA CB . 36005 1
86 . 1 1 10 10 ALA N N 15 121.614 . . . . . . A 10 ALA N . 36005 1
87 . 1 1 11 11 GLU H H 1 7.709 . . . . . . A 11 GLU H . 36005 1
88 . 1 1 11 11 GLU HA H 1 4.047 . . . . . . A 11 GLU HA . 36005 1
89 . 1 1 11 11 GLU HB2 H 1 2.058 . . . . . . A 11 GLU HB2 . 36005 1
90 . 1 1 11 11 GLU HB3 H 1 2.058 . . . . . . A 11 GLU HB3 . 36005 1
91 . 1 1 11 11 GLU CA C 13 58.274 . . . . . . A 11 GLU CA . 36005 1
92 . 1 1 11 11 GLU CB C 13 28.057 . . . . . . A 11 GLU CB . 36005 1
93 . 1 1 11 11 GLU N N 15 120.166 . . . . . . A 11 GLU N . 36005 1
94 . 1 1 12 12 PHE H H 1 8.507 . . . . . . A 12 PHE H . 36005 1
95 . 1 1 12 12 PHE HA H 1 4.796 . . . . . . A 12 PHE HA . 36005 1
96 . 1 1 12 12 PHE HB2 H 1 3.517 . . . . . . A 12 PHE HB2 . 36005 1
97 . 1 1 12 12 PHE HB3 H 1 3.402 . . . . . . A 12 PHE HB3 . 36005 1
98 . 1 1 12 12 PHE HD1 H 1 7.124 . . . . . . A 12 PHE HD1 . 36005 1
99 . 1 1 12 12 PHE HD2 H 1 7.126 . . . . . . A 12 PHE HD2 . 36005 1
100 . 1 1 12 12 PHE HE1 H 1 7.135 . . . . . . A 12 PHE HE1 . 36005 1
101 . 1 1 12 12 PHE HE2 H 1 7.147 . . . . . . A 12 PHE HE2 . 36005 1
102 . 1 1 12 12 PHE HZ H 1 7.096 . . . . . . A 12 PHE HZ . 36005 1
103 . 1 1 12 12 PHE CA C 13 58.558 . . . . . . A 12 PHE CA . 36005 1
104 . 1 1 12 12 PHE CB C 13 36.516 . . . . . . A 12 PHE CB . 36005 1
105 . 1 1 12 12 PHE N N 15 119.460 . . . . . . A 12 PHE N . 36005 1
106 . 1 1 13 13 LYS H H 1 9.079 . . . . . . A 13 LYS H . 36005 1
107 . 1 1 13 13 LYS HA H 1 3.852 . . . . . . A 13 LYS HA . 36005 1
108 . 1 1 13 13 LYS HB2 H 1 1.847 . . . . . . A 13 LYS HB2 . 36005 1
109 . 1 1 13 13 LYS HB3 H 1 1.847 . . . . . . A 13 LYS HB3 . 36005 1
110 . 1 1 13 13 LYS HG2 H 1 0.935 . . . . . . A 13 LYS HG2 . 36005 1
111 . 1 1 13 13 LYS HG3 H 1 0.935 . . . . . . A 13 LYS HG3 . 36005 1
112 . 1 1 13 13 LYS HD2 H 1 1.071 . . . . . . A 13 LYS HD2 . 36005 1
113 . 1 1 13 13 LYS HD3 H 1 1.071 . . . . . . A 13 LYS HD3 . 36005 1
114 . 1 1 13 13 LYS HE2 H 1 2.483 . . . . . . A 13 LYS HE2 . 36005 1
115 . 1 1 13 13 LYS HE3 H 1 2.483 . . . . . . A 13 LYS HE3 . 36005 1
116 . 1 1 13 13 LYS CA C 13 58.428 . . . . . . A 13 LYS CA . 36005 1
117 . 1 1 13 13 LYS CB C 13 30.402 . . . . . . A 13 LYS CB . 36005 1
118 . 1 1 13 13 LYS CG C 13 23.971 . . . . . . A 13 LYS CG . 36005 1
119 . 1 1 13 13 LYS CD C 13 27.172 . . . . . . A 13 LYS CD . 36005 1
120 . 1 1 13 13 LYS CE C 13 40.591 . . . . . . A 13 LYS CE . 36005 1
121 . 1 1 13 13 LYS N N 15 124.127 . . . . . . A 13 LYS N . 36005 1
122 . 1 1 14 14 GLU H H 1 7.709 . . . . . . A 14 GLU H . 36005 1
123 . 1 1 14 14 GLU HA H 1 4.070 . . . . . . A 14 GLU HA . 36005 1
124 . 1 1 14 14 GLU CA C 13 58.185 . . . . . . A 14 GLU CA . 36005 1
125 . 1 1 14 14 GLU CB C 13 27.852 . . . . . . A 14 GLU CB . 36005 1
126 . 1 1 14 14 GLU N N 15 120.792 . . . . . . A 14 GLU N . 36005 1
127 . 1 1 15 15 ALA H H 1 7.806 . . . . . . A 15 ALA H . 36005 1
128 . 1 1 15 15 ALA HA H 1 4.083 . . . . . . A 15 ALA HA . 36005 1
129 . 1 1 15 15 ALA HB1 H 1 1.791 . . . . . . A 15 ALA HB1 . 36005 1
130 . 1 1 15 15 ALA HB2 H 1 1.791 . . . . . . A 15 ALA HB2 . 36005 1
131 . 1 1 15 15 ALA HB3 H 1 1.791 . . . . . . A 15 ALA HB3 . 36005 1
132 . 1 1 15 15 ALA CA C 13 54.064 . . . . . . A 15 ALA CA . 36005 1
133 . 1 1 15 15 ALA CB C 13 17.076 . . . . . . A 15 ALA CB . 36005 1
134 . 1 1 15 15 ALA N N 15 121.800 . . . . . . A 15 ALA N . 36005 1
135 . 1 1 16 16 PHE H H 1 8.640 . . . . . . A 16 PHE H . 36005 1
136 . 1 1 16 16 PHE HA H 1 3.287 . . . . . . A 16 PHE HA . 36005 1
137 . 1 1 16 16 PHE HB2 H 1 3.107 . . . . . . A 16 PHE HB2 . 36005 1
138 . 1 1 16 16 PHE HB3 H 1 2.735 . . . . . . A 16 PHE HB3 . 36005 1
139 . 1 1 16 16 PHE HD1 H 1 6.565 . . . . . . A 16 PHE HD1 . 36005 1
140 . 1 1 16 16 PHE HE1 H 1 7.163 . . . . . . A 16 PHE HE1 . 36005 1
141 . 1 1 16 16 PHE HZ H 1 6.962 . . . . . . A 16 PHE HZ . 36005 1
142 . 1 1 16 16 PHE CA C 13 60.899 . . . . . . A 16 PHE CA . 36005 1
143 . 1 1 16 16 PHE CB C 13 38.545 . . . . . . A 16 PHE CB . 36005 1
144 . 1 1 16 16 PHE N N 15 119.196 . . . . . . A 16 PHE N . 36005 1
145 . 1 1 17 17 SER H H 1 8.076 . . . . . . A 17 SER H . 36005 1
146 . 1 1 17 17 SER HA H 1 4.039 . . . . . . A 17 SER HA . 36005 1
147 . 1 1 17 17 SER HB2 H 1 3.973 . . . . . . A 17 SER HB2 . 36005 1
148 . 1 1 17 17 SER CA C 13 60.442 . . . . . . A 17 SER CA . 36005 1
149 . 1 1 17 17 SER CB C 13 62.082 . . . . . . A 17 SER CB . 36005 1
150 . 1 1 17 17 SER N N 15 114.057 . . . . . . A 17 SER N . 36005 1
151 . 1 1 18 18 LEU H H 1 7.296 . . . . . . A 18 LEU H . 36005 1
152 . 1 1 18 18 LEU HA H 1 3.924 . . . . . . A 18 LEU HA . 36005 1
153 . 1 1 18 18 LEU HB2 H 1 1.616 . . . . . . A 18 LEU HB2 . 36005 1
154 . 1 1 18 18 LEU HB3 H 1 1.375 . . . . . . A 18 LEU HB3 . 36005 1
155 . 1 1 18 18 LEU HD11 H 1 0.769 . . . . . . A 18 LEU HD11 . 36005 1
156 . 1 1 18 18 LEU HD12 H 1 0.769 . . . . . . A 18 LEU HD12 . 36005 1
157 . 1 1 18 18 LEU HD13 H 1 0.769 . . . . . . A 18 LEU HD13 . 36005 1
158 . 1 1 18 18 LEU HD21 H 1 0.621 . . . . . . A 18 LEU HD21 . 36005 1
159 . 1 1 18 18 LEU HD22 H 1 0.621 . . . . . . A 18 LEU HD22 . 36005 1
160 . 1 1 18 18 LEU HD23 H 1 0.621 . . . . . . A 18 LEU HD23 . 36005 1
161 . 1 1 18 18 LEU CA C 13 55.889 . . . . . . A 18 LEU CA . 36005 1
162 . 1 1 18 18 LEU CB C 13 40.028 . . . . . . A 18 LEU CB . 36005 1
163 . 1 1 18 18 LEU CD1 C 13 23.972 . . . . . . A 18 LEU CD1 . 36005 1
164 . 1 1 18 18 LEU CD2 C 13 22.203 . . . . . . A 18 LEU CD2 . 36005 1
165 . 1 1 18 18 LEU N N 15 120.703 . . . . . . A 18 LEU N . 36005 1
166 . 1 1 19 19 PHE H H 1 7.014 . . . . . . A 19 PHE H . 36005 1
167 . 1 1 19 19 PHE HA H 1 4.114 . . . . . . A 19 PHE HA . 36005 1
168 . 1 1 19 19 PHE HB2 H 1 2.603 . . . . . . A 19 PHE HB2 . 36005 1
169 . 1 1 19 19 PHE HB3 H 1 2.603 . . . . . . A 19 PHE HB3 . 36005 1
170 . 1 1 19 19 PHE HD1 H 1 7.122 . . . . . . A 19 PHE HD1 . 36005 1
171 . 1 1 19 19 PHE HD2 H 1 7.122 . . . . . . A 19 PHE HD2 . 36005 1
172 . 1 1 19 19 PHE CA C 13 57.597 . . . . . . A 19 PHE CA . 36005 1
173 . 1 1 19 19 PHE CB C 13 39.951 . . . . . . A 19 PHE CB . 36005 1
174 . 1 1 19 19 PHE N N 15 114.309 . . . . . . A 19 PHE N . 36005 1
175 . 1 1 20 20 ASP H H 1 7.548 . . . . . . A 20 ASP H . 36005 1
176 . 1 1 20 20 ASP HA H 1 4.490 . . . . . . A 20 ASP HA . 36005 1
177 . 1 1 20 20 ASP HB2 H 1 2.301 . . . . . . A 20 ASP HB2 . 36005 1
178 . 1 1 20 20 ASP HB3 H 1 1.515 . . . . . . A 20 ASP HB3 . 36005 1
179 . 1 1 20 20 ASP CA C 13 51.073 . . . . . . A 20 ASP CA . 36005 1
180 . 1 1 20 20 ASP CB C 13 38.063 . . . . . . A 20 ASP CB . 36005 1
181 . 1 1 20 20 ASP N N 15 117.523 . . . . . . A 20 ASP N . 36005 1
182 . 1 1 21 21 LYS H H 1 7.541 . . . . . . A 21 LYS H . 36005 1
183 . 1 1 21 21 LYS HA H 1 3.912 . . . . . . A 21 LYS HA . 36005 1
184 . 1 1 21 21 LYS HB2 H 1 1.821 . . . . . . A 21 LYS HB2 . 36005 1
185 . 1 1 21 21 LYS HB3 H 1 1.821 . . . . . . A 21 LYS HB3 . 36005 1
186 . 1 1 21 21 LYS HG2 H 1 1.495 . . . . . . A 21 LYS HG2 . 36005 1
187 . 1 1 21 21 LYS HG3 H 1 1.495 . . . . . . A 21 LYS HG3 . 36005 1
188 . 1 1 21 21 LYS CA C 13 56.935 . . . . . . A 21 LYS CA . 36005 1
189 . 1 1 21 21 LYS CB C 13 31.128 . . . . . . A 21 LYS CB . 36005 1
190 . 1 1 21 21 LYS CG C 13 22.914 . . . . . . A 21 LYS CG . 36005 1
191 . 1 1 21 21 LYS CD C 13 26.875 . . . . . . A 21 LYS CD . 36005 1
192 . 1 1 21 21 LYS N N 15 124.613 . . . . . . A 21 LYS N . 36005 1
193 . 1 1 22 22 ASP H H 1 8.021 . . . . . . A 22 ASP H . 36005 1
194 . 1 1 22 22 ASP HA H 1 4.535 . . . . . . A 22 ASP HA . 36005 1
195 . 1 1 22 22 ASP HB2 H 1 2.988 . . . . . . A 22 ASP HB2 . 36005 1
196 . 1 1 22 22 ASP HB3 H 1 2.586 . . . . . . A 22 ASP HB3 . 36005 1
197 . 1 1 22 22 ASP CA C 13 51.714 . . . . . . A 22 ASP CA . 36005 1
198 . 1 1 22 22 ASP CB C 13 38.284 . . . . . . A 22 ASP CB . 36005 1
199 . 1 1 22 22 ASP N N 15 114.721 . . . . . . A 22 ASP N . 36005 1
200 . 1 1 23 23 GLY H H 1 7.619 . . . . . . A 23 GLY H . 36005 1
201 . 1 1 23 23 GLY HA2 H 1 3.816 . . . . . . A 23 GLY HA2 . 36005 1
202 . 1 1 23 23 GLY HA3 H 1 3.816 . . . . . . A 23 GLY HA3 . 36005 1
203 . 1 1 23 23 GLY CA C 13 46.005 . . . . . . A 23 GLY CA . 36005 1
204 . 1 1 23 23 GLY N N 15 110.044 . . . . . . A 23 GLY N . 36005 1
205 . 1 1 24 24 ASP H H 1 8.383 . . . . . . A 24 ASP H . 36005 1
206 . 1 1 24 24 ASP HA H 1 4.427 . . . . . . A 24 ASP HA . 36005 1
207 . 1 1 24 24 ASP HB2 H 1 2.996 . . . . . . A 24 ASP HB2 . 36005 1
208 . 1 1 24 24 ASP HB3 H 1 2.363 . . . . . . A 24 ASP HB3 . 36005 1
209 . 1 1 24 24 ASP CA C 13 52.536 . . . . . . A 24 ASP CA . 36005 1
210 . 1 1 24 24 ASP CB C 13 39.240 . . . . . . A 24 ASP CB . 36005 1
211 . 1 1 24 24 ASP N N 15 121.619 . . . . . . A 24 ASP N . 36005 1
212 . 1 1 25 25 GLY H H 1 10.543 . . . . . . A 25 GLY H . 36005 1
213 . 1 1 25 25 GLY HA2 H 1 4.321 . . . . . . A 25 GLY HA2 . 36005 1
214 . 1 1 25 25 GLY HA3 H 1 3.641 . . . . . . A 25 GLY HA3 . 36005 1
215 . 1 1 25 25 GLY CA C 13 44.049 . . . . . . A 25 GLY CA . 36005 1
216 . 1 1 25 25 GLY N N 15 113.691 . . . . . . A 25 GLY N . 36005 1
217 . 1 1 26 26 THR H H 1 8.142 . . . . . . A 26 THR H . 36005 1
218 . 1 1 26 26 THR HA H 1 5.394 . . . . . . A 26 THR HA . 36005 1
219 . 1 1 26 26 THR HB H 1 3.772 . . . . . . A 26 THR HB . 36005 1
220 . 1 1 26 26 THR HG21 H 1 0.983 . . . . . . A 26 THR HG21 . 36005 1
221 . 1 1 26 26 THR HG22 H 1 0.983 . . . . . . A 26 THR HG22 . 36005 1
222 . 1 1 26 26 THR HG23 H 1 0.983 . . . . . . A 26 THR HG23 . 36005 1
223 . 1 1 26 26 THR CA C 13 58.204 . . . . . . A 26 THR CA . 36005 1
224 . 1 1 26 26 THR CB C 13 71.561 . . . . . . A 26 THR CB . 36005 1
225 . 1 1 26 26 THR CG2 C 13 20.883 . . . . . . A 26 THR CG2 . 36005 1
226 . 1 1 26 26 THR N N 15 112.869 . . . . . . A 26 THR N . 36005 1
227 . 1 1 27 27 ILE H H 1 9.859 . . . . . . A 27 ILE H . 36005 1
228 . 1 1 27 27 ILE HA H 1 4.761 . . . . . . A 27 ILE HA . 36005 1
229 . 1 1 27 27 ILE HB H 1 1.602 . . . . . . A 27 ILE HB . 36005 1
230 . 1 1 27 27 ILE HG21 H 1 0.802 . . . . . . A 27 ILE HG21 . 36005 1
231 . 1 1 27 27 ILE HG22 H 1 0.802 . . . . . . A 27 ILE HG22 . 36005 1
232 . 1 1 27 27 ILE HG23 H 1 0.802 . . . . . . A 27 ILE HG23 . 36005 1
233 . 1 1 27 27 ILE HD11 H 1 0.145 . . . . . . A 27 ILE HD11 . 36005 1
234 . 1 1 27 27 ILE HD12 H 1 0.145 . . . . . . A 27 ILE HD12 . 36005 1
235 . 1 1 27 27 ILE HD13 H 1 0.145 . . . . . . A 27 ILE HD13 . 36005 1
236 . 1 1 27 27 ILE CA C 13 59.618 . . . . . . A 27 ILE CA . 36005 1
237 . 1 1 27 27 ILE CB C 13 38.584 . . . . . . A 27 ILE CB . 36005 1
238 . 1 1 27 27 ILE CG1 C 13 25.526 . . . . . . A 27 ILE CG1 . 36005 1
239 . 1 1 27 27 ILE CG2 C 13 15.933 . . . . . . A 27 ILE CG2 . 36005 1
240 . 1 1 27 27 ILE CD1 C 13 13.737 . . . . . . A 27 ILE CD1 . 36005 1
241 . 1 1 27 27 ILE N N 15 127.518 . . . . . . A 27 ILE N . 36005 1
242 . 1 1 28 28 THR H H 1 8.303 . . . . . . A 28 THR H . 36005 1
243 . 1 1 28 28 THR HA H 1 4.787 . . . . . . A 28 THR HA . 36005 1
244 . 1 1 28 28 THR HB H 1 4.774 . . . . . . A 28 THR HB . 36005 1
245 . 1 1 28 28 THR HG21 H 1 1.218 . . . . . . A 28 THR HG21 . 36005 1
246 . 1 1 28 28 THR HG22 H 1 1.218 . . . . . . A 28 THR HG22 . 36005 1
247 . 1 1 28 28 THR HG23 H 1 1.218 . . . . . . A 28 THR HG23 . 36005 1
248 . 1 1 28 28 THR CA C 13 58.086 . . . . . . A 28 THR CA . 36005 1
249 . 1 1 28 28 THR CB C 13 71.273 . . . . . . A 28 THR CB . 36005 1
250 . 1 1 28 28 THR CG2 C 13 20.651 . . . . . . A 28 THR CG2 . 36005 1
251 . 1 1 28 28 THR N N 15 117.089 . . . . . . A 28 THR N . 36005 1
252 . 1 1 29 29 THR H H 1 9.141 . . . . . . A 29 THR H . 36005 1
253 . 1 1 29 29 THR HA H 1 3.710 . . . . . . A 29 THR HA . 36005 1
254 . 1 1 29 29 THR HB H 1 4.154 . . . . . . A 29 THR HB . 36005 1
255 . 1 1 29 29 THR HG21 H 1 1.202 . . . . . . A 29 THR HG21 . 36005 1
256 . 1 1 29 29 THR HG22 H 1 1.202 . . . . . . A 29 THR HG22 . 36005 1
257 . 1 1 29 29 THR HG23 H 1 1.202 . . . . . . A 29 THR HG23 . 36005 1
258 . 1 1 29 29 THR CA C 13 65.238 . . . . . . A 29 THR CA . 36005 1
259 . 1 1 29 29 THR CB C 13 66.700 . . . . . . A 29 THR CB . 36005 1
260 . 1 1 29 29 THR CG2 C 13 21.936 . . . . . . A 29 THR CG2 . 36005 1
261 . 1 1 29 29 THR N N 15 113.653 . . . . . . A 29 THR N . 36005 1
262 . 1 1 30 30 LYS H H 1 7.567 . . . . . . A 30 LYS H . 36005 1
263 . 1 1 30 30 LYS HA H 1 4.092 . . . . . . A 30 LYS HA . 36005 1
264 . 1 1 30 30 LYS HB2 H 1 1.794 . . . . . . A 30 LYS HB2 . 36005 1
265 . 1 1 30 30 LYS HB3 H 1 1.794 . . . . . . A 30 LYS HB3 . 36005 1
266 . 1 1 30 30 LYS CA C 13 57.864 . . . . . . A 30 LYS CA . 36005 1
267 . 1 1 30 30 LYS CB C 13 31.257 . . . . . . A 30 LYS CB . 36005 1
268 . 1 1 30 30 LYS N N 15 121.864 . . . . . . A 30 LYS N . 36005 1
269 . 1 1 31 31 GLU H H 1 7.693 . . . . . . A 31 GLU H . 36005 1
270 . 1 1 31 31 GLU HA H 1 4.024 . . . . . . A 31 GLU HA . 36005 1
271 . 1 1 31 31 GLU CA C 13 58.312 . . . . . . A 31 GLU CA . 36005 1
272 . 1 1 31 31 GLU CB C 13 28.104 . . . . . . A 31 GLU CB . 36005 1
273 . 1 1 31 31 GLU N N 15 122.529 . . . . . . A 31 GLU N . 36005 1
274 . 1 1 32 32 LEU H H 1 8.560 . . . . . . A 32 LEU H . 36005 1
275 . 1 1 32 32 LEU HA H 1 4.126 . . . . . . A 32 LEU HA . 36005 1
276 . 1 1 32 32 LEU HB2 H 1 1.884 . . . . . . A 32 LEU HB2 . 36005 1
277 . 1 1 32 32 LEU HB3 H 1 1.884 . . . . . . A 32 LEU HB3 . 36005 1
278 . 1 1 32 32 LEU HD11 H 1 0.863 . . . . . . A 32 LEU HD11 . 36005 1
279 . 1 1 32 32 LEU HD12 H 1 0.863 . . . . . . A 32 LEU HD12 . 36005 1
280 . 1 1 32 32 LEU HD13 H 1 0.863 . . . . . . A 32 LEU HD13 . 36005 1
281 . 1 1 32 32 LEU HD21 H 1 0.906 . . . . . . A 32 LEU HD21 . 36005 1
282 . 1 1 32 32 LEU HD22 H 1 0.906 . . . . . . A 32 LEU HD22 . 36005 1
283 . 1 1 32 32 LEU HD23 H 1 0.906 . . . . . . A 32 LEU HD23 . 36005 1
284 . 1 1 32 32 LEU CA C 13 57.034 . . . . . . A 32 LEU CA . 36005 1
285 . 1 1 32 32 LEU CB C 13 40.872 . . . . . . A 32 LEU CB . 36005 1
286 . 1 1 32 32 LEU CD1 C 13 25.235 . . . . . . A 32 LEU CD1 . 36005 1
287 . 1 1 32 32 LEU CD2 C 13 22.338 . . . . . . A 32 LEU CD2 . 36005 1
288 . 1 1 32 32 LEU N N 15 120.883 . . . . . . A 32 LEU N . 36005 1
289 . 1 1 33 33 GLY H H 1 8.763 . . . . . . A 33 GLY H . 36005 1
290 . 1 1 33 33 GLY HA2 H 1 3.877 . . . . . . A 33 GLY HA2 . 36005 1
291 . 1 1 33 33 GLY HA3 H 1 3.503 . . . . . . A 33 GLY HA3 . 36005 1
292 . 1 1 33 33 GLY CA C 13 47.285 . . . . . . A 33 GLY CA . 36005 1
293 . 1 1 33 33 GLY N N 15 107.200 . . . . . . A 33 GLY N . 36005 1
294 . 1 1 34 34 THR H H 1 8.054 . . . . . . A 34 THR H . 36005 1
295 . 1 1 34 34 THR HA H 1 3.891 . . . . . . A 34 THR HA . 36005 1
296 . 1 1 34 34 THR HB H 1 4.337 . . . . . . A 34 THR HB . 36005 1
297 . 1 1 34 34 THR HG21 H 1 1.221 . . . . . . A 34 THR HG21 . 36005 1
298 . 1 1 34 34 THR HG22 H 1 1.221 . . . . . . A 34 THR HG22 . 36005 1
299 . 1 1 34 34 THR HG23 H 1 1.221 . . . . . . A 34 THR HG23 . 36005 1
300 . 1 1 34 34 THR CA C 13 65.903 . . . . . . A 34 THR CA . 36005 1
301 . 1 1 34 34 THR CB C 13 67.464 . . . . . . A 34 THR CB . 36005 1
302 . 1 1 34 34 THR CG2 C 13 20.231 . . . . . . A 34 THR CG2 . 36005 1
303 . 1 1 34 34 THR N N 15 119.542 . . . . . . A 34 THR N . 36005 1
304 . 1 1 35 35 VAL H H 1 7.677 . . . . . . A 35 VAL H . 36005 1
305 . 1 1 35 35 VAL HA H 1 3.525 . . . . . . A 35 VAL HA . 36005 1
306 . 1 1 35 35 VAL HB H 1 2.002 . . . . . . A 35 VAL HB . 36005 1
307 . 1 1 35 35 VAL HG11 H 1 0.777 . . . . . . A 35 VAL HG11 . 36005 1
308 . 1 1 35 35 VAL HG12 H 1 0.777 . . . . . . A 35 VAL HG12 . 36005 1
309 . 1 1 35 35 VAL HG13 H 1 0.777 . . . . . . A 35 VAL HG13 . 36005 1
310 . 1 1 35 35 VAL HG21 H 1 0.445 . . . . . . A 35 VAL HG21 . 36005 1
311 . 1 1 35 35 VAL HG22 H 1 0.445 . . . . . . A 35 VAL HG22 . 36005 1
312 . 1 1 35 35 VAL HG23 H 1 0.445 . . . . . . A 35 VAL HG23 . 36005 1
313 . 1 1 35 35 VAL CA C 13 65.535 . . . . . . A 35 VAL CA . 36005 1
314 . 1 1 35 35 VAL CB C 13 30.438 . . . . . . A 35 VAL CB . 36005 1
315 . 1 1 35 35 VAL CG1 C 13 21.798 . . . . . . A 35 VAL CG1 . 36005 1
316 . 1 1 35 35 VAL CG2 C 13 19.351 . . . . . . A 35 VAL CG2 . 36005 1
317 . 1 1 35 35 VAL N N 15 123.159 . . . . . . A 35 VAL N . 36005 1
318 . 1 1 36 36 MET H H 1 8.456 . . . . . . A 36 MET H . 36005 1
319 . 1 1 36 36 MET HA H 1 3.941 . . . . . . A 36 MET HA . 36005 1
320 . 1 1 36 36 MET HB2 H 1 2.016 . . . . . . A 36 MET HB2 . 36005 1
321 . 1 1 36 36 MET HB3 H 1 2.016 . . . . . . A 36 MET HB3 . 36005 1
322 . 1 1 36 36 MET HG2 H 1 2.487 . . . . . . A 36 MET HG2 . 36005 1
323 . 1 1 36 36 MET HG3 H 1 2.487 . . . . . . A 36 MET HG3 . 36005 1
324 . 1 1 36 36 MET CA C 13 57.721 . . . . . . A 36 MET CA . 36005 1
325 . 1 1 36 36 MET CB C 13 30.179 . . . . . . A 36 MET CB . 36005 1
326 . 1 1 36 36 MET N N 15 117.900 . . . . . . A 36 MET N . 36005 1
327 . 1 1 37 37 ARG H H 1 8.599 . . . . . . A 37 ARG H . 36005 1
328 . 1 1 37 37 ARG CA C 13 58.018 . . . . . . A 37 ARG CA . 36005 1
329 . 1 1 37 37 ARG CB C 13 28.759 . . . . . . A 37 ARG CB . 36005 1
330 . 1 1 37 37 ARG N N 15 119.801 . . . . . . A 37 ARG N . 36005 1
331 . 1 1 38 38 SER H H 1 8.018 . . . . . . A 38 SER H . 36005 1
332 . 1 1 38 38 SER N N 15 120.380 . . . . . . A 38 SER N . 36005 1
333 . 1 1 39 39 LEU H H 1 7.262 . . . . . . A 39 LEU H . 36005 1
334 . 1 1 39 39 LEU HA H 1 4.296 . . . . . . A 39 LEU HA . 36005 1
335 . 1 1 39 39 LEU HB2 H 1 1.761 . . . . . . A 39 LEU HB2 . 36005 1
336 . 1 1 39 39 LEU HB3 H 1 1.761 . . . . . . A 39 LEU HB3 . 36005 1
337 . 1 1 39 39 LEU HD11 H 1 0.691 . . . . . . A 39 LEU HD11 . 36005 1
338 . 1 1 39 39 LEU HD12 H 1 0.691 . . . . . . A 39 LEU HD12 . 36005 1
339 . 1 1 39 39 LEU HD13 H 1 0.691 . . . . . . A 39 LEU HD13 . 36005 1
340 . 1 1 39 39 LEU HD21 H 1 0.647 . . . . . . A 39 LEU HD21 . 36005 1
341 . 1 1 39 39 LEU HD22 H 1 0.647 . . . . . . A 39 LEU HD22 . 36005 1
342 . 1 1 39 39 LEU HD23 H 1 0.647 . . . . . . A 39 LEU HD23 . 36005 1
343 . 1 1 39 39 LEU CA C 13 53.179 . . . . . . A 39 LEU CA . 36005 1
344 . 1 1 39 39 LEU CB C 13 40.565 . . . . . . A 39 LEU CB . 36005 1
345 . 1 1 39 39 LEU CD1 C 13 24.716 . . . . . . A 39 LEU CD1 . 36005 1
346 . 1 1 39 39 LEU CD2 C 13 21.467 . . . . . . A 39 LEU CD2 . 36005 1
347 . 1 1 39 39 LEU N N 15 119.826 . . . . . . A 39 LEU N . 36005 1
348 . 1 1 40 40 GLY H H 1 7.818 . . . . . . A 40 GLY H . 36005 1
349 . 1 1 40 40 GLY HA2 H 1 4.168 . . . . . . A 40 GLY HA2 . 36005 1
350 . 1 1 40 40 GLY HA3 H 1 3.739 . . . . . . A 40 GLY HA3 . 36005 1
351 . 1 1 40 40 GLY CA C 13 44.327 . . . . . . A 40 GLY CA . 36005 1
352 . 1 1 40 40 GLY N N 15 108.018 . . . . . . A 40 GLY N . 36005 1
353 . 1 1 41 41 GLN H H 1 7.833 . . . . . . A 41 GLN H . 36005 1
354 . 1 1 41 41 GLN HA H 1 4.364 . . . . . . A 41 GLN HA . 36005 1
355 . 1 1 41 41 GLN HB2 H 1 2.088 . . . . . . A 41 GLN HB2 . 36005 1
356 . 1 1 41 41 GLN CA C 13 52.574 . . . . . . A 41 GLN CA . 36005 1
357 . 1 1 41 41 GLN CB C 13 28.912 . . . . . . A 41 GLN CB . 36005 1
358 . 1 1 41 41 GLN N N 15 118.705 . . . . . . A 41 GLN N . 36005 1
359 . 1 1 42 42 ASN H H 1 8.623 . . . . . . A 42 ASN H . 36005 1
360 . 1 1 42 42 ASN HA H 1 5.147 . . . . . . A 42 ASN HA . 36005 1
361 . 1 1 42 42 ASN HB2 H 1 2.705 . . . . . . A 42 ASN HB2 . 36005 1
362 . 1 1 42 42 ASN HB3 H 1 2.435 . . . . . . A 42 ASN HB3 . 36005 1
363 . 1 1 42 42 ASN CA C 13 50.100 . . . . . . A 42 ASN CA . 36005 1
364 . 1 1 42 42 ASN CB C 13 38.052 . . . . . . A 42 ASN CB . 36005 1
365 . 1 1 42 42 ASN N N 15 117.074 . . . . . . A 42 ASN N . 36005 1
366 . 1 1 43 43 PRO CA C 13 61.076 . . . . . . A 43 PRO CA . 36005 1
367 . 1 1 44 44 THR H H 1 8.719 . . . . . . A 44 THR H . 36005 1
368 . 1 1 44 44 THR HA H 1 4.383 . . . . . . A 44 THR HA . 36005 1
369 . 1 1 44 44 THR HB H 1 4.663 . . . . . . A 44 THR HB . 36005 1
370 . 1 1 44 44 THR HG21 H 1 1.278 . . . . . . A 44 THR HG21 . 36005 1
371 . 1 1 44 44 THR HG22 H 1 1.278 . . . . . . A 44 THR HG22 . 36005 1
372 . 1 1 44 44 THR HG23 H 1 1.278 . . . . . . A 44 THR HG23 . 36005 1
373 . 1 1 44 44 THR CA C 13 59.255 . . . . . . A 44 THR CA . 36005 1
374 . 1 1 44 44 THR CB C 13 69.988 . . . . . . A 44 THR CB . 36005 1
375 . 1 1 44 44 THR CG2 C 13 20.663 . . . . . . A 44 THR CG2 . 36005 1
376 . 1 1 44 44 THR N N 15 113.539 . . . . . . A 44 THR N . 36005 1
377 . 1 1 45 45 GLU H H 1 8.712 . . . . . . A 45 GLU H . 36005 1
378 . 1 1 45 45 GLU HA H 1 3.938 . . . . . . A 45 GLU HA . 36005 1
379 . 1 1 45 45 GLU HB2 H 1 1.989 . . . . . . A 45 GLU HB2 . 36005 1
380 . 1 1 45 45 GLU HB3 H 1 1.989 . . . . . . A 45 GLU HB3 . 36005 1
381 . 1 1 45 45 GLU HG2 H 1 2.251 . . . . . . A 45 GLU HG2 . 36005 1
382 . 1 1 45 45 GLU HG3 H 1 2.251 . . . . . . A 45 GLU HG3 . 36005 1
383 . 1 1 45 45 GLU CA C 13 58.661 . . . . . . A 45 GLU CA . 36005 1
384 . 1 1 45 45 GLU CB C 13 27.723 . . . . . . A 45 GLU CB . 36005 1
385 . 1 1 45 45 GLU CG C 13 35.057 . . . . . . A 45 GLU CG . 36005 1
386 . 1 1 45 45 GLU N N 15 121.579 . . . . . . A 45 GLU N . 36005 1
387 . 1 1 46 46 ALA H H 1 8.174 . . . . . . A 46 ALA H . 36005 1
388 . 1 1 46 46 ALA HA H 1 4.030 . . . . . . A 46 ALA HA . 36005 1
389 . 1 1 46 46 ALA HB1 H 1 1.317 . . . . . . A 46 ALA HB1 . 36005 1
390 . 1 1 46 46 ALA HB2 H 1 1.317 . . . . . . A 46 ALA HB2 . 36005 1
391 . 1 1 46 46 ALA HB3 H 1 1.317 . . . . . . A 46 ALA HB3 . 36005 1
392 . 1 1 46 46 ALA CA C 13 53.767 . . . . . . A 46 ALA CA . 36005 1
393 . 1 1 46 46 ALA CB C 13 16.928 . . . . . . A 46 ALA CB . 36005 1
394 . 1 1 46 46 ALA N N 15 121.488 . . . . . . A 46 ALA N . 36005 1
395 . 1 1 47 47 GLU H H 1 7.459 . . . . . . A 47 GLU H . 36005 1
396 . 1 1 47 47 GLU HA H 1 3.963 . . . . . . A 47 GLU HA . 36005 1
397 . 1 1 47 47 GLU HB2 H 1 1.849 . . . . . . A 47 GLU HB2 . 36005 1
398 . 1 1 47 47 GLU HB3 H 1 1.849 . . . . . . A 47 GLU HB3 . 36005 1
399 . 1 1 47 47 GLU CA C 13 57.737 . . . . . . A 47 GLU CA . 36005 1
400 . 1 1 47 47 GLU CB C 13 29.003 . . . . . . A 47 GLU CB . 36005 1
401 . 1 1 47 47 GLU N N 15 117.594 . . . . . . A 47 GLU N . 36005 1
402 . 1 1 48 48 LEU H H 1 8.077 . . . . . . A 48 LEU H . 36005 1
403 . 1 1 48 48 LEU HA H 1 3.975 . . . . . . A 48 LEU HA . 36005 1
404 . 1 1 48 48 LEU HB2 H 1 2.050 . . . . . . A 48 LEU HB2 . 36005 1
405 . 1 1 48 48 LEU HB3 H 1 1.152 . . . . . . A 48 LEU HB3 . 36005 1
406 . 1 1 48 48 LEU HD11 H 1 0.787 . . . . . . A 48 LEU HD11 . 36005 1
407 . 1 1 48 48 LEU HD12 H 1 0.787 . . . . . . A 48 LEU HD12 . 36005 1
408 . 1 1 48 48 LEU HD13 H 1 0.787 . . . . . . A 48 LEU HD13 . 36005 1
409 . 1 1 48 48 LEU HD21 H 1 0.743 . . . . . . A 48 LEU HD21 . 36005 1
410 . 1 1 48 48 LEU HD22 H 1 0.743 . . . . . . A 48 LEU HD22 . 36005 1
411 . 1 1 48 48 LEU HD23 H 1 0.743 . . . . . . A 48 LEU HD23 . 36005 1
412 . 1 1 48 48 LEU CA C 13 56.993 . . . . . . A 48 LEU CA . 36005 1
413 . 1 1 48 48 LEU CB C 13 41.304 . . . . . . A 48 LEU CB . 36005 1
414 . 1 1 48 48 LEU CD1 C 13 24.653 . . . . . . A 48 LEU CD1 . 36005 1
415 . 1 1 48 48 LEU CD2 C 13 22.097 . . . . . . A 48 LEU CD2 . 36005 1
416 . 1 1 48 48 LEU N N 15 120.575 . . . . . . A 48 LEU N . 36005 1
417 . 1 1 49 49 GLN H H 1 8.200 . . . . . . A 49 GLN H . 36005 1
418 . 1 1 49 49 GLN HA H 1 3.724 . . . . . . A 49 GLN HA . 36005 1
419 . 1 1 49 49 GLN HB2 H 1 2.134 . . . . . . A 49 GLN HB2 . 36005 1
420 . 1 1 49 49 GLN HB3 H 1 2.073 . . . . . . A 49 GLN HB3 . 36005 1
421 . 1 1 49 49 GLN HG2 H 1 2.380 . . . . . . A 49 GLN HG2 . 36005 1
422 . 1 1 49 49 GLN HG3 H 1 2.380 . . . . . . A 49 GLN HG3 . 36005 1
423 . 1 1 49 49 GLN CA C 13 57.325 . . . . . . A 49 GLN CA . 36005 1
424 . 1 1 49 49 GLN CB C 13 26.874 . . . . . . A 49 GLN CB . 36005 1
425 . 1 1 49 49 GLN CG C 13 32.929 . . . . . . A 49 GLN CG . 36005 1
426 . 1 1 49 49 GLN N N 15 119.173 . . . . . . A 49 GLN N . 36005 1
427 . 1 1 50 50 ASP H H 1 8.056 . . . . . . A 50 ASP H . 36005 1
428 . 1 1 50 50 ASP HA H 1 4.333 . . . . . . A 50 ASP HA . 36005 1
429 . 1 1 50 50 ASP HB2 H 1 2.702 . . . . . . A 50 ASP HB2 . 36005 1
430 . 1 1 50 50 ASP CA C 13 56.378 . . . . . . A 50 ASP CA . 36005 1
431 . 1 1 50 50 ASP CB C 13 38.982 . . . . . . A 50 ASP CB . 36005 1
432 . 1 1 50 50 ASP N N 15 120.574 . . . . . . A 50 ASP N . 36005 1
433 . 1 1 51 51 MET H H 1 7.721 . . . . . . A 51 MET H . 36005 1
434 . 1 1 51 51 MET HA H 1 3.944 . . . . . . A 51 MET HA . 36005 1
435 . 1 1 51 51 MET HB2 H 1 2.761 . . . . . . A 51 MET HB2 . 36005 1
436 . 1 1 51 51 MET HB3 H 1 2.761 . . . . . . A 51 MET HB3 . 36005 1
437 . 1 1 51 51 MET CA C 13 58.318 . . . . . . A 51 MET CA . 36005 1
438 . 1 1 51 51 MET CB C 13 32.238 . . . . . . A 51 MET CB . 36005 1
439 . 1 1 51 51 MET N N 15 119.855 . . . . . . A 51 MET N . 36005 1
440 . 1 1 52 52 ILE H H 1 7.679 . . . . . . A 52 ILE H . 36005 1
441 . 1 1 52 52 ILE HA H 1 3.480 . . . . . . A 52 ILE HA . 36005 1
442 . 1 1 52 52 ILE HB H 1 1.948 . . . . . . A 52 ILE HB . 36005 1
443 . 1 1 52 52 ILE HG12 H 1 1.395 . . . . . . A 52 ILE HG12 . 36005 1
444 . 1 1 52 52 ILE HG13 H 1 1.288 . . . . . . A 52 ILE HG13 . 36005 1
445 . 1 1 52 52 ILE HG21 H 1 0.648 . . . . . . A 52 ILE HG21 . 36005 1
446 . 1 1 52 52 ILE HG22 H 1 0.648 . . . . . . A 52 ILE HG22 . 36005 1
447 . 1 1 52 52 ILE HG23 H 1 0.648 . . . . . . A 52 ILE HG23 . 36005 1
448 . 1 1 52 52 ILE HD11 H 1 0.595 . . . . . . A 52 ILE HD11 . 36005 1
449 . 1 1 52 52 ILE HD12 H 1 0.595 . . . . . . A 52 ILE HD12 . 36005 1
450 . 1 1 52 52 ILE HD13 H 1 0.595 . . . . . . A 52 ILE HD13 . 36005 1
451 . 1 1 52 52 ILE CA C 13 62.519 . . . . . . A 52 ILE CA . 36005 1
452 . 1 1 52 52 ILE CB C 13 35.284 . . . . . . A 52 ILE CB . 36005 1
453 . 1 1 52 52 ILE CG1 C 13 27.503 . . . . . . A 52 ILE CG1 . 36005 1
454 . 1 1 52 52 ILE CG2 C 13 14.978 . . . . . . A 52 ILE CG2 . 36005 1
455 . 1 1 52 52 ILE CD1 C 13 10.082 . . . . . . A 52 ILE CD1 . 36005 1
456 . 1 1 52 52 ILE N N 15 118.493 . . . . . . A 52 ILE N . 36005 1
457 . 1 1 53 53 ASN H H 1 8.598 . . . . . . A 53 ASN H . 36005 1
458 . 1 1 53 53 ASN HA H 1 4.333 . . . . . . A 53 ASN HA . 36005 1
459 . 1 1 53 53 ASN HB2 H 1 2.933 . . . . . . A 53 ASN HB2 . 36005 1
460 . 1 1 53 53 ASN HB3 H 1 2.797 . . . . . . A 53 ASN HB3 . 36005 1
461 . 1 1 53 53 ASN CA C 13 54.698 . . . . . . A 53 ASN CA . 36005 1
462 . 1 1 53 53 ASN CB C 13 36.705 . . . . . . A 53 ASN CB . 36005 1
463 . 1 1 53 53 ASN N N 15 118.554 . . . . . . A 53 ASN N . 36005 1
464 . 1 1 54 54 GLU H H 1 7.370 . . . . . . A 54 GLU H . 36005 1
465 . 1 1 54 54 GLU HA H 1 3.953 . . . . . . A 54 GLU HA . 36005 1
466 . 1 1 54 54 GLU HB2 H 1 2.050 . . . . . . A 54 GLU HB2 . 36005 1
467 . 1 1 54 54 GLU HB3 H 1 1.966 . . . . . . A 54 GLU HB3 . 36005 1
468 . 1 1 54 54 GLU HG2 H 1 2.252 . . . . . . A 54 GLU HG2 . 36005 1
469 . 1 1 54 54 GLU HG3 H 1 2.252 . . . . . . A 54 GLU HG3 . 36005 1
470 . 1 1 54 54 GLU CA C 13 57.531 . . . . . . A 54 GLU CA . 36005 1
471 . 1 1 54 54 GLU CB C 13 28.901 . . . . . . A 54 GLU CB . 36005 1
472 . 1 1 54 54 GLU N N 15 117.090 . . . . . . A 54 GLU N . 36005 1
473 . 1 1 55 55 VAL H H 1 7.095 . . . . . . A 55 VAL H . 36005 1
474 . 1 1 55 55 VAL HA H 1 4.136 . . . . . . A 55 VAL HA . 36005 1
475 . 1 1 55 55 VAL HB H 1 2.050 . . . . . . A 55 VAL HB . 36005 1
476 . 1 1 55 55 VAL HG11 H 1 0.897 . . . . . . A 55 VAL HG11 . 36005 1
477 . 1 1 55 55 VAL HG12 H 1 0.897 . . . . . . A 55 VAL HG12 . 36005 1
478 . 1 1 55 55 VAL HG13 H 1 0.897 . . . . . . A 55 VAL HG13 . 36005 1
479 . 1 1 55 55 VAL HG21 H 1 0.900 . . . . . . A 55 VAL HG21 . 36005 1
480 . 1 1 55 55 VAL HG22 H 1 0.900 . . . . . . A 55 VAL HG22 . 36005 1
481 . 1 1 55 55 VAL HG23 H 1 0.900 . . . . . . A 55 VAL HG23 . 36005 1
482 . 1 1 55 55 VAL CA C 13 59.921 . . . . . . A 55 VAL CA . 36005 1
483 . 1 1 55 55 VAL CB C 13 31.804 . . . . . . A 55 VAL CB . 36005 1
484 . 1 1 55 55 VAL CG1 C 13 21.758 . . . . . . A 55 VAL CG1 . 36005 1
485 . 1 1 55 55 VAL CG2 C 13 19.843 . . . . . . A 55 VAL CG2 . 36005 1
486 . 1 1 55 55 VAL N N 15 113.223 . . . . . . A 55 VAL N . 36005 1
487 . 1 1 56 56 ASP H H 1 7.648 . . . . . . A 56 ASP H . 36005 1
488 . 1 1 56 56 ASP HA H 1 4.368 . . . . . . A 56 ASP HA . 36005 1
489 . 1 1 56 56 ASP HB2 H 1 2.650 . . . . . . A 56 ASP HB2 . 36005 1
490 . 1 1 56 56 ASP CA C 13 52.525 . . . . . . A 56 ASP CA . 36005 1
491 . 1 1 56 56 ASP CB C 13 39.222 . . . . . . A 56 ASP CB . 36005 1
492 . 1 1 56 56 ASP N N 15 121.574 . . . . . . A 56 ASP N . 36005 1
493 . 1 1 57 57 ALA H H 1 8.002 . . . . . . A 57 ALA H . 36005 1
494 . 1 1 57 57 ALA HA H 1 4.152 . . . . . . A 57 ALA HA . 36005 1
495 . 1 1 57 57 ALA HB1 H 1 1.479 . . . . . . A 57 ALA HB1 . 36005 1
496 . 1 1 57 57 ALA HB2 H 1 1.479 . . . . . . A 57 ALA HB2 . 36005 1
497 . 1 1 57 57 ALA HB3 H 1 1.479 . . . . . . A 57 ALA HB3 . 36005 1
498 . 1 1 57 57 ALA CA C 13 53.123 . . . . . . A 57 ALA CA . 36005 1
499 . 1 1 57 57 ALA CB C 13 18.561 . . . . . . A 57 ALA CB . 36005 1
500 . 1 1 57 57 ALA N N 15 132.024 . . . . . . A 57 ALA N . 36005 1
501 . 1 1 58 58 ASP H H 1 8.168 . . . . . . A 58 ASP H . 36005 1
502 . 1 1 58 58 ASP HA H 1 4.490 . . . . . . A 58 ASP HA . 36005 1
503 . 1 1 58 58 ASP HB2 H 1 2.979 . . . . . . A 58 ASP HB2 . 36005 1
504 . 1 1 58 58 ASP HB3 H 1 2.631 . . . . . . A 58 ASP HB3 . 36005 1
505 . 1 1 58 58 ASP CA C 13 51.535 . . . . . . A 58 ASP CA . 36005 1
506 . 1 1 58 58 ASP CB C 13 38.680 . . . . . . A 58 ASP CB . 36005 1
507 . 1 1 58 58 ASP N N 15 114.562 . . . . . . A 58 ASP N . 36005 1
508 . 1 1 59 59 GLY H H 1 7.520 . . . . . . A 59 GLY H . 36005 1
509 . 1 1 59 59 GLY HA2 H 1 3.764 . . . . . . A 59 GLY HA2 . 36005 1
510 . 1 1 59 59 GLY HA3 H 1 3.764 . . . . . . A 59 GLY HA3 . 36005 1
511 . 1 1 59 59 GLY CA C 13 46.023 . . . . . . A 59 GLY CA . 36005 1
512 . 1 1 59 59 GLY N N 15 109.129 . . . . . . A 59 GLY N . 36005 1
513 . 1 1 61 61 GLY H H 1 10.484 . . . . . . A 61 GLY H . 36005 1
514 . 1 1 61 61 GLY HA2 H 1 4.212 . . . . . . A 61 GLY HA2 . 36005 1
515 . 1 1 61 61 GLY HA3 H 1 3.417 . . . . . . A 61 GLY HA3 . 36005 1
516 . 1 1 61 61 GLY CA C 13 44.198 . . . . . . A 61 GLY CA . 36005 1
517 . 1 1 61 61 GLY N N 15 113.999 . . . . . . A 61 GLY N . 36005 1
518 . 1 1 62 62 THR H H 1 7.564 . . . . . . A 62 THR H . 36005 1
519 . 1 1 62 62 THR HA H 1 4.735 . . . . . . A 62 THR HA . 36005 1
520 . 1 1 62 62 THR HB H 1 3.936 . . . . . . A 62 THR HB . 36005 1
521 . 1 1 62 62 THR HG21 H 1 1.065 . . . . . . A 62 THR HG21 . 36005 1
522 . 1 1 62 62 THR HG22 H 1 1.065 . . . . . . A 62 THR HG22 . 36005 1
523 . 1 1 62 62 THR HG23 H 1 1.065 . . . . . . A 62 THR HG23 . 36005 1
524 . 1 1 62 62 THR CA C 13 58.099 . . . . . . A 62 THR CA . 36005 1
525 . 1 1 62 62 THR CB C 13 71.089 . . . . . . A 62 THR CB . 36005 1
526 . 1 1 62 62 THR CG2 C 13 21.191 . . . . . . A 62 THR CG2 . 36005 1
527 . 1 1 62 62 THR N N 15 109.102 . . . . . . A 62 THR N . 36005 1
528 . 1 1 63 63 ILE H H 1 8.685 . . . . . . A 63 ILE H . 36005 1
529 . 1 1 63 63 ILE HA H 1 5.114 . . . . . . A 63 ILE HA . 36005 1
530 . 1 1 63 63 ILE HB H 1 2.011 . . . . . . A 63 ILE HB . 36005 1
531 . 1 1 63 63 ILE HG12 H 1 1.132 . . . . . . A 63 ILE HG12 . 36005 1
532 . 1 1 63 63 ILE HG13 H 1 1.149 . . . . . . A 63 ILE HG13 . 36005 1
533 . 1 1 63 63 ILE HG21 H 1 1.170 . . . . . . A 63 ILE HG21 . 36005 1
534 . 1 1 63 63 ILE HG22 H 1 1.170 . . . . . . A 63 ILE HG22 . 36005 1
535 . 1 1 63 63 ILE HG23 H 1 1.170 . . . . . . A 63 ILE HG23 . 36005 1
536 . 1 1 63 63 ILE HD11 H 1 0.748 . . . . . . A 63 ILE HD11 . 36005 1
537 . 1 1 63 63 ILE HD12 H 1 0.748 . . . . . . A 63 ILE HD12 . 36005 1
538 . 1 1 63 63 ILE HD13 H 1 0.748 . . . . . . A 63 ILE HD13 . 36005 1
539 . 1 1 63 63 ILE CA C 13 57.819 . . . . . . A 63 ILE CA . 36005 1
540 . 1 1 63 63 ILE CB C 13 37.939 . . . . . . A 63 ILE CB . 36005 1
541 . 1 1 63 63 ILE CG1 C 13 25.851 . . . . . . A 63 ILE CG1 . 36005 1
542 . 1 1 63 63 ILE CG2 C 13 16.902 . . . . . . A 63 ILE CG2 . 36005 1
543 . 1 1 63 63 ILE CD1 C 13 11.302 . . . . . . A 63 ILE CD1 . 36005 1
544 . 1 1 63 63 ILE N N 15 124.383 . . . . . . A 63 ILE N . 36005 1
545 . 1 1 64 64 ASP H H 1 8.869 . . . . . . A 64 ASP H . 36005 1
546 . 1 1 64 64 ASP HA H 1 5.447 . . . . . . A 64 ASP HA . 36005 1
547 . 1 1 64 64 ASP HB2 H 1 3.071 . . . . . . A 64 ASP HB2 . 36005 1
548 . 1 1 64 64 ASP HB3 H 1 2.720 . . . . . . A 64 ASP HB3 . 36005 1
549 . 1 1 64 64 ASP CA C 13 50.705 . . . . . . A 64 ASP CA . 36005 1
550 . 1 1 64 64 ASP CB C 13 41.035 . . . . . . A 64 ASP CB . 36005 1
551 . 1 1 64 64 ASP N N 15 129.029 . . . . . . A 64 ASP N . 36005 1
552 . 1 1 65 65 PHE H H 1 8.894 . . . . . . A 65 PHE H . 36005 1
553 . 1 1 65 65 PHE HA H 1 3.940 . . . . . . A 65 PHE HA . 36005 1
554 . 1 1 65 65 PHE HB2 H 1 3.696 . . . . . . A 65 PHE HB2 . 36005 1
555 . 1 1 65 65 PHE HB3 H 1 3.696 . . . . . . A 65 PHE HB3 . 36005 1
556 . 1 1 65 65 PHE HD1 H 1 6.701 . . . . . . A 65 PHE HD1 . 36005 1
557 . 1 1 65 65 PHE HE1 H 1 7.127 . . . . . . A 65 PHE HE1 . 36005 1
558 . 1 1 65 65 PHE HE2 H 1 6.669 . . . . . . A 65 PHE HE2 . 36005 1
559 . 1 1 65 65 PHE HZ H 1 7.342 . . . . . . A 65 PHE HZ . 36005 1
560 . 1 1 65 65 PHE CA C 13 61.754 . . . . . . A 65 PHE CA . 36005 1
561 . 1 1 65 65 PHE CB C 13 34.749 . . . . . . A 65 PHE CB . 36005 1
562 . 1 1 65 65 PHE N N 15 119.411 . . . . . . A 65 PHE N . 36005 1
563 . 1 1 66 66 PRO HA H 1 3.811 . . . . . . A 66 PRO HA . 36005 1
564 . 1 1 67 67 GLU H H 1 8.307 . . . . . . A 67 GLU H . 36005 1
565 . 1 1 67 67 GLU HA H 1 3.952 . . . . . . A 67 GLU HA . 36005 1
566 . 1 1 67 67 GLU CA C 13 58.039 . . . . . . A 67 GLU CA . 36005 1
567 . 1 1 67 67 GLU CB C 13 28.419 . . . . . . A 67 GLU CB . 36005 1
568 . 1 1 67 67 GLU N N 15 118.845 . . . . . . A 67 GLU N . 36005 1
569 . 1 1 68 68 PHE H H 1 8.591 . . . . . . A 68 PHE H . 36005 1
570 . 1 1 68 68 PHE HA H 1 3.902 . . . . . . A 68 PHE HA . 36005 1
571 . 1 1 68 68 PHE HB2 H 1 3.079 . . . . . . A 68 PHE HB2 . 36005 1
572 . 1 1 68 68 PHE HB3 H 1 3.079 . . . . . . A 68 PHE HB3 . 36005 1
573 . 1 1 68 68 PHE HD1 H 1 6.967 . . . . . . A 68 PHE HD1 . 36005 1
574 . 1 1 68 68 PHE HE1 H 1 7.138 . . . . . . A 68 PHE HE1 . 36005 1
575 . 1 1 68 68 PHE CA C 13 60.348 . . . . . . A 68 PHE CA . 36005 1
576 . 1 1 68 68 PHE CB C 13 39.174 . . . . . . A 68 PHE CB . 36005 1
577 . 1 1 68 68 PHE N N 15 124.517 . . . . . . A 68 PHE N . 36005 1
578 . 1 1 69 69 LEU H H 1 8.773 . . . . . . A 69 LEU H . 36005 1
579 . 1 1 69 69 LEU HA H 1 3.322 . . . . . . A 69 LEU HA . 36005 1
580 . 1 1 69 69 LEU HB2 H 1 1.160 . . . . . . A 69 LEU HB2 . 36005 1
581 . 1 1 69 69 LEU HB3 H 1 1.210 . . . . . . A 69 LEU HB3 . 36005 1
582 . 1 1 69 69 LEU HG H 1 0.891 . . . . . . A 69 LEU HG . 36005 1
583 . 1 1 69 69 LEU HD11 H 1 0.504 . . . . . . A 69 LEU HD11 . 36005 1
584 . 1 1 69 69 LEU HD12 H 1 0.504 . . . . . . A 69 LEU HD12 . 36005 1
585 . 1 1 69 69 LEU HD13 H 1 0.504 . . . . . . A 69 LEU HD13 . 36005 1
586 . 1 1 69 69 LEU HD21 H 1 0.600 . . . . . . A 69 LEU HD21 . 36005 1
587 . 1 1 69 69 LEU HD22 H 1 0.600 . . . . . . A 69 LEU HD22 . 36005 1
588 . 1 1 69 69 LEU HD23 H 1 0.600 . . . . . . A 69 LEU HD23 . 36005 1
589 . 1 1 69 69 LEU CA C 13 56.560 . . . . . . A 69 LEU CA . 36005 1
590 . 1 1 69 69 LEU CB C 13 40.105 . . . . . . A 69 LEU CB . 36005 1
591 . 1 1 69 69 LEU CD1 C 13 23.975 . . . . . . A 69 LEU CD1 . 36005 1
592 . 1 1 69 69 LEU CD2 C 13 23.003 . . . . . . A 69 LEU CD2 . 36005 1
593 . 1 1 69 69 LEU N N 15 120.473 . . . . . . A 69 LEU N . 36005 1
594 . 1 1 70 70 THR H H 1 7.926 . . . . . . A 70 THR H . 36005 1
595 . 1 1 70 70 THR HA H 1 3.691 . . . . . . A 70 THR HA . 36005 1
596 . 1 1 70 70 THR HB H 1 4.106 . . . . . . A 70 THR HB . 36005 1
597 . 1 1 70 70 THR HG21 H 1 1.141 . . . . . . A 70 THR HG21 . 36005 1
598 . 1 1 70 70 THR HG22 H 1 1.141 . . . . . . A 70 THR HG22 . 36005 1
599 . 1 1 70 70 THR HG23 H 1 1.141 . . . . . . A 70 THR HG23 . 36005 1
600 . 1 1 70 70 THR CA C 13 65.391 . . . . . . A 70 THR CA . 36005 1
601 . 1 1 70 70 THR CB C 13 67.424 . . . . . . A 70 THR CB . 36005 1
602 . 1 1 70 70 THR CG2 C 13 20.448 . . . . . . A 70 THR CG2 . 36005 1
603 . 1 1 70 70 THR N N 15 116.427 . . . . . . A 70 THR N . 36005 1
604 . 1 1 71 71 MET H H 1 7.466 . . . . . . A 71 MET H . 36005 1
605 . 1 1 71 71 MET HA H 1 3.939 . . . . . . A 71 MET HA . 36005 1
606 . 1 1 71 71 MET HB2 H 1 2.064 . . . . . . A 71 MET HB2 . 36005 1
607 . 1 1 71 71 MET HB3 H 1 2.064 . . . . . . A 71 MET HB3 . 36005 1
608 . 1 1 71 71 MET CA C 13 54.255 . . . . . . A 71 MET CA . 36005 1
609 . 1 1 71 71 MET CB C 13 30.323 . . . . . . A 71 MET CB . 36005 1
610 . 1 1 71 71 MET N N 15 121.718 . . . . . . A 71 MET N . 36005 1
611 . 1 1 72 72 MET H H 1 7.999 . . . . . . A 72 MET H . 36005 1
612 . 1 1 72 72 MET HA H 1 3.932 . . . . . . A 72 MET HA . 36005 1
613 . 1 1 72 72 MET CA C 13 55.020 . . . . . . A 72 MET CA . 36005 1
614 . 1 1 72 72 MET CB C 13 29.514 . . . . . . A 72 MET CB . 36005 1
615 . 1 1 72 72 MET N N 15 118.854 . . . . . . A 72 MET N . 36005 1
616 . 1 1 73 73 ALA H H 1 8.207 . . . . . . A 73 ALA H . 36005 1
617 . 1 1 73 73 ALA HA H 1 3.956 . . . . . . A 73 ALA HA . 36005 1
618 . 1 1 73 73 ALA HB1 H 1 1.324 . . . . . . A 73 ALA HB1 . 36005 1
619 . 1 1 73 73 ALA HB2 H 1 1.324 . . . . . . A 73 ALA HB2 . 36005 1
620 . 1 1 73 73 ALA HB3 H 1 1.324 . . . . . . A 73 ALA HB3 . 36005 1
621 . 1 1 73 73 ALA CA C 13 53.740 . . . . . . A 73 ALA CA . 36005 1
622 . 1 1 73 73 ALA CB C 13 16.892 . . . . . . A 73 ALA CB . 36005 1
623 . 1 1 73 73 ALA N N 15 121.369 . . . . . . A 73 ALA N . 36005 1
624 . 1 1 74 74 ARG H H 1 7.851 . . . . . . A 74 ARG H . 36005 1
625 . 1 1 74 74 ARG CA C 13 58.322 . . . . . . A 74 ARG CA . 36005 1
626 . 1 1 74 74 ARG CB C 13 27.681 . . . . . . A 74 ARG CB . 36005 1
627 . 1 1 74 74 ARG N N 15 121.324 . . . . . . A 74 ARG N . 36005 1
628 . 1 1 76 76 MET H H 1 8.021 . . . . . . A 76 MET H . 36005 1
629 . 1 1 76 76 MET HA H 1 4.151 . . . . . . A 76 MET HA . 36005 1
630 . 1 1 76 76 MET HB2 H 1 2.051 . . . . . . A 76 MET HB2 . 36005 1
631 . 1 1 76 76 MET HB3 H 1 2.051 . . . . . . A 76 MET HB3 . 36005 1
632 . 1 1 76 76 MET CA C 13 56.326 . . . . . . A 76 MET CA . 36005 1
633 . 1 1 76 76 MET CB C 13 31.648 . . . . . . A 76 MET CB . 36005 1
634 . 1 1 76 76 MET N N 15 116.439 . . . . . . A 76 MET N . 36005 1
635 . 1 1 77 77 LYS H H 1 7.305 . . . . . . A 77 LYS H . 36005 1
636 . 1 1 77 77 LYS HA H 1 4.296 . . . . . . A 77 LYS HA . 36005 1
637 . 1 1 77 77 LYS HB2 H 1 1.878 . . . . . . A 77 LYS HB2 . 36005 1
638 . 1 1 77 77 LYS HB3 H 1 1.747 . . . . . . A 77 LYS HB3 . 36005 1
639 . 1 1 77 77 LYS HG2 H 1 1.451 . . . . . . A 77 LYS HG2 . 36005 1
640 . 1 1 77 77 LYS HG3 H 1 1.451 . . . . . . A 77 LYS HG3 . 36005 1
641 . 1 1 77 77 LYS CA C 13 55.117 . . . . . . A 77 LYS CA . 36005 1
642 . 1 1 77 77 LYS CB C 13 31.978 . . . . . . A 77 LYS CB . 36005 1
643 . 1 1 77 77 LYS CG C 13 23.440 . . . . . . A 77 LYS CG . 36005 1
644 . 1 1 77 77 LYS CD C 13 28.041 . . . . . . A 77 LYS CD . 36005 1
645 . 1 1 77 77 LYS N N 15 117.514 . . . . . . A 77 LYS N . 36005 1
646 . 1 1 78 78 ASP H H 1 7.669 . . . . . . A 78 ASP H . 36005 1
647 . 1 1 78 78 ASP HA H 1 4.623 . . . . . . A 78 ASP HA . 36005 1
648 . 1 1 78 78 ASP HB2 H 1 2.768 . . . . . . A 78 ASP HB2 . 36005 1
649 . 1 1 78 78 ASP HB3 H 1 2.768 . . . . . . A 78 ASP HB3 . 36005 1
650 . 1 1 78 78 ASP CA C 13 53.281 . . . . . . A 78 ASP CA . 36005 1
651 . 1 1 78 78 ASP CB C 13 40.092 . . . . . . A 78 ASP CB . 36005 1
652 . 1 1 78 78 ASP N N 15 121.067 . . . . . . A 78 ASP N . 36005 1
653 . 1 1 79 79 THR H H 1 8.071 . . . . . . A 79 THR H . 36005 1
654 . 1 1 79 79 THR HA H 1 4.226 . . . . . . A 79 THR HA . 36005 1
655 . 1 1 79 79 THR HB H 1 4.282 . . . . . . A 79 THR HB . 36005 1
656 . 1 1 79 79 THR HG21 H 1 1.180 . . . . . . A 79 THR HG21 . 36005 1
657 . 1 1 79 79 THR HG22 H 1 1.180 . . . . . . A 79 THR HG22 . 36005 1
658 . 1 1 79 79 THR HG23 H 1 1.180 . . . . . . A 79 THR HG23 . 36005 1
659 . 1 1 79 79 THR CA C 13 61.323 . . . . . . A 79 THR CA . 36005 1
660 . 1 1 79 79 THR CB C 13 67.961 . . . . . . A 79 THR CB . 36005 1
661 . 1 1 79 79 THR CG2 C 13 20.333 . . . . . . A 79 THR CG2 . 36005 1
662 . 1 1 79 79 THR N N 15 115.653 . . . . . . A 79 THR N . 36005 1
663 . 1 1 80 80 ASP H H 1 8.402 . . . . . . A 80 ASP H . 36005 1
664 . 1 1 80 80 ASP HA H 1 4.721 . . . . . . A 80 ASP HA . 36005 1
665 . 1 1 80 80 ASP HB2 H 1 2.700 . . . . . . A 80 ASP HB2 . 36005 1
666 . 1 1 80 80 ASP HB3 H 1 2.610 . . . . . . A 80 ASP HB3 . 36005 1
667 . 1 1 80 80 ASP CA C 13 53.394 . . . . . . A 80 ASP CA . 36005 1
668 . 1 1 80 80 ASP CB C 13 39.831 . . . . . . A 80 ASP CB . 36005 1
669 . 1 1 80 80 ASP N N 15 123.261 . . . . . . A 80 ASP N . 36005 1
670 . 1 1 81 81 SER H H 1 8.019 . . . . . . A 81 SER H . 36005 1
671 . 1 1 81 81 SER HA H 1 4.620 . . . . . . A 81 SER HA . 36005 1
672 . 1 1 81 81 SER HB2 H 1 3.917 . . . . . . A 81 SER HB2 . 36005 1
673 . 1 1 81 81 SER HB3 H 1 3.917 . . . . . . A 81 SER HB3 . 36005 1
674 . 1 1 81 81 SER CA C 13 56.761 . . . . . . A 81 SER CA . 36005 1
675 . 1 1 81 81 SER CB C 13 62.573 . . . . . . A 81 SER CB . 36005 1
676 . 1 1 81 81 SER N N 15 116.294 . . . . . . A 81 SER N . 36005 1
677 . 1 1 82 82 GLU H H 1 8.369 . . . . . . A 82 GLU H . 36005 1
678 . 1 1 82 82 GLU HA H 1 4.003 . . . . . . A 82 GLU HA . 36005 1
679 . 1 1 82 82 GLU HB2 H 1 2.052 . . . . . . A 82 GLU HB2 . 36005 1
680 . 1 1 82 82 GLU HB3 H 1 2.052 . . . . . . A 82 GLU HB3 . 36005 1
681 . 1 1 82 82 GLU HG2 H 1 2.242 . . . . . . A 82 GLU HG2 . 36005 1
682 . 1 1 82 82 GLU HG3 H 1 2.242 . . . . . . A 82 GLU HG3 . 36005 1
683 . 1 1 82 82 GLU CA C 13 58.084 . . . . . . A 82 GLU CA . 36005 1
684 . 1 1 82 82 GLU CB C 13 28.326 . . . . . . A 82 GLU CB . 36005 1
685 . 1 1 82 82 GLU N N 15 123.989 . . . . . . A 82 GLU N . 36005 1
686 . 1 1 85 85 ILE H H 1 7.935 . . . . . . A 85 ILE H . 36005 1
687 . 1 1 85 85 ILE HA H 1 3.793 . . . . . . A 85 ILE HA . 36005 1
688 . 1 1 85 85 ILE HB H 1 2.152 . . . . . . A 85 ILE HB . 36005 1
689 . 1 1 85 85 ILE HG12 H 1 1.785 . . . . . . A 85 ILE HG12 . 36005 1
690 . 1 1 85 85 ILE HG21 H 1 1.104 . . . . . . A 85 ILE HG21 . 36005 1
691 . 1 1 85 85 ILE HG22 H 1 1.104 . . . . . . A 85 ILE HG22 . 36005 1
692 . 1 1 85 85 ILE HG23 H 1 1.104 . . . . . . A 85 ILE HG23 . 36005 1
693 . 1 1 85 85 ILE HD11 H 1 0.771 . . . . . . A 85 ILE HD11 . 36005 1
694 . 1 1 85 85 ILE HD12 H 1 0.771 . . . . . . A 85 ILE HD12 . 36005 1
695 . 1 1 85 85 ILE HD13 H 1 0.771 . . . . . . A 85 ILE HD13 . 36005 1
696 . 1 1 85 85 ILE CA C 13 64.138 . . . . . . A 85 ILE CA . 36005 1
697 . 1 1 85 85 ILE CB C 13 36.047 . . . . . . A 85 ILE CB . 36005 1
698 . 1 1 85 85 ILE CG1 C 13 28.163 . . . . . . A 85 ILE CG1 . 36005 1
699 . 1 1 85 85 ILE CG2 C 13 17.766 . . . . . . A 85 ILE CG2 . 36005 1
700 . 1 1 85 85 ILE CD1 C 13 11.948 . . . . . . A 85 ILE CD1 . 36005 1
701 . 1 1 85 85 ILE N N 15 120.942 . . . . . . A 85 ILE N . 36005 1
702 . 1 1 86 86 ARG H H 1 8.450 . . . . . . A 86 ARG H . 36005 1
703 . 1 1 86 86 ARG HA H 1 4.064 . . . . . . A 86 ARG HA . 36005 1
704 . 1 1 86 86 ARG HB2 H 1 1.991 . . . . . . A 86 ARG HB2 . 36005 1
705 . 1 1 86 86 ARG HB3 H 1 1.991 . . . . . . A 86 ARG HB3 . 36005 1
706 . 1 1 86 86 ARG CA C 13 58.835 . . . . . . A 86 ARG CA . 36005 1
707 . 1 1 86 86 ARG CB C 13 28.412 . . . . . . A 86 ARG CB . 36005 1
708 . 1 1 86 86 ARG N N 15 121.754 . . . . . . A 86 ARG N . 36005 1
709 . 1 1 87 87 GLU H H 1 7.891 . . . . . . A 87 GLU H . 36005 1
710 . 1 1 87 87 GLU HA H 1 4.014 . . . . . . A 87 GLU HA . 36005 1
711 . 1 1 87 87 GLU HB2 H 1 2.030 . . . . . . A 87 GLU HB2 . 36005 1
712 . 1 1 87 87 GLU HB3 H 1 2.030 . . . . . . A 87 GLU HB3 . 36005 1
713 . 1 1 87 87 GLU HG2 H 1 2.261 . . . . . . A 87 GLU HG2 . 36005 1
714 . 1 1 87 87 GLU HG3 H 1 2.261 . . . . . . A 87 GLU HG3 . 36005 1
715 . 1 1 87 87 GLU CA C 13 57.724 . . . . . . A 87 GLU CA . 36005 1
716 . 1 1 87 87 GLU CB C 13 27.979 . . . . . . A 87 GLU CB . 36005 1
717 . 1 1 87 87 GLU N N 15 119.464 . . . . . . A 87 GLU N . 36005 1
718 . 1 1 88 88 ALA H H 1 8.068 . . . . . . A 88 ALA H . 36005 1
719 . 1 1 88 88 ALA HA H 1 4.027 . . . . . . A 88 ALA HA . 36005 1
720 . 1 1 88 88 ALA HB1 H 1 1.723 . . . . . . A 88 ALA HB1 . 36005 1
721 . 1 1 88 88 ALA HB2 H 1 1.723 . . . . . . A 88 ALA HB2 . 36005 1
722 . 1 1 88 88 ALA HB3 H 1 1.723 . . . . . . A 88 ALA HB3 . 36005 1
723 . 1 1 88 88 ALA CA C 13 55.363 . . . . . . A 88 ALA CA . 36005 1
724 . 1 1 88 88 ALA CB C 13 16.766 . . . . . . A 88 ALA CB . 36005 1
725 . 1 1 88 88 ALA N N 15 121.907 . . . . . . A 88 ALA N . 36005 1
726 . 1 1 89 89 PHE H H 1 8.436 . . . . . . A 89 PHE H . 36005 1
727 . 1 1 89 89 PHE HA H 1 3.154 . . . . . . A 89 PHE HA . 36005 1
728 . 1 1 89 89 PHE HB2 H 1 2.821 . . . . . . A 89 PHE HB2 . 36005 1
729 . 1 1 89 89 PHE HB3 H 1 2.821 . . . . . . A 89 PHE HB3 . 36005 1
730 . 1 1 89 89 PHE HD1 H 1 6.492 . . . . . . A 89 PHE HD1 . 36005 1
731 . 1 1 89 89 PHE HD2 H 1 6.492 . . . . . . A 89 PHE HD2 . 36005 1
732 . 1 1 89 89 PHE HE1 H 1 6.940 . . . . . . A 89 PHE HE1 . 36005 1
733 . 1 1 89 89 PHE HE2 H 1 6.965 . . . . . . A 89 PHE HE2 . 36005 1
734 . 1 1 89 89 PHE HZ H 1 6.924 . . . . . . A 89 PHE HZ . 36005 1
735 . 1 1 89 89 PHE CA C 13 61.052 . . . . . . A 89 PHE CA . 36005 1
736 . 1 1 89 89 PHE CB C 13 37.982 . . . . . . A 89 PHE CB . 36005 1
737 . 1 1 89 89 PHE N N 15 118.964 . . . . . . A 89 PHE N . 36005 1
738 . 1 1 90 90 ARG H H 1 7.820 . . . . . . A 90 ARG H . 36005 1
739 . 1 1 90 90 ARG HA H 1 3.780 . . . . . . A 90 ARG HA . 36005 1
740 . 1 1 90 90 ARG HB2 H 1 1.899 . . . . . . A 90 ARG HB2 . 36005 1
741 . 1 1 90 90 ARG HB3 H 1 1.899 . . . . . . A 90 ARG HB3 . 36005 1
742 . 1 1 90 90 ARG HD2 H 1 3.161 . . . . . . A 90 ARG HD2 . 36005 1
743 . 1 1 90 90 ARG HD3 H 1 3.161 . . . . . . A 90 ARG HD3 . 36005 1
744 . 1 1 90 90 ARG CA C 13 57.765 . . . . . . A 90 ARG CA . 36005 1
745 . 1 1 90 90 ARG CB C 13 29.084 . . . . . . A 90 ARG CB . 36005 1
746 . 1 1 90 90 ARG CG C 13 26.683 . . . . . . A 90 ARG CG . 36005 1
747 . 1 1 90 90 ARG CD C 13 42.356 . . . . . . A 90 ARG CD . 36005 1
748 . 1 1 90 90 ARG N N 15 116.984 . . . . . . A 90 ARG N . 36005 1
749 . 1 1 91 91 VAL H H 1 7.381 . . . . . . A 91 VAL H . 36005 1
750 . 1 1 91 91 VAL HA H 1 3.425 . . . . . . A 91 VAL HA . 36005 1
751 . 1 1 91 91 VAL HB H 1 2.147 . . . . . . A 91 VAL HB . 36005 1
752 . 1 1 91 91 VAL HG11 H 1 0.940 . . . . . . A 91 VAL HG11 . 36005 1
753 . 1 1 91 91 VAL HG12 H 1 0.940 . . . . . . A 91 VAL HG12 . 36005 1
754 . 1 1 91 91 VAL HG13 H 1 0.940 . . . . . . A 91 VAL HG13 . 36005 1
755 . 1 1 91 91 VAL HG21 H 1 0.551 . . . . . . A 91 VAL HG21 . 36005 1
756 . 1 1 91 91 VAL HG22 H 1 0.551 . . . . . . A 91 VAL HG22 . 36005 1
757 . 1 1 91 91 VAL HG23 H 1 0.551 . . . . . . A 91 VAL HG23 . 36005 1
758 . 1 1 91 91 VAL CA C 13 64.445 . . . . . . A 91 VAL CA . 36005 1
759 . 1 1 91 91 VAL CB C 13 29.837 . . . . . . A 91 VAL CB . 36005 1
760 . 1 1 91 91 VAL CG1 C 13 21.555 . . . . . . A 91 VAL CG1 . 36005 1
761 . 1 1 91 91 VAL CG2 C 13 20.277 . . . . . . A 91 VAL CG2 . 36005 1
762 . 1 1 91 91 VAL N N 15 118.507 . . . . . . A 91 VAL N . 36005 1
763 . 1 1 92 92 PHE H H 1 6.949 . . . . . . A 92 PHE H . 36005 1
764 . 1 1 92 92 PHE HA H 1 4.111 . . . . . . A 92 PHE HA . 36005 1
765 . 1 1 92 92 PHE HB2 H 1 2.605 . . . . . . A 92 PHE HB2 . 36005 1
766 . 1 1 92 92 PHE HB3 H 1 2.605 . . . . . . A 92 PHE HB3 . 36005 1
767 . 1 1 92 92 PHE HD1 H 1 7.174 . . . . . . A 92 PHE HD1 . 36005 1
768 . 1 1 92 92 PHE CA C 13 58.343 . . . . . . A 92 PHE CA . 36005 1
769 . 1 1 92 92 PHE CB C 13 39.886 . . . . . . A 92 PHE CB . 36005 1
770 . 1 1 92 92 PHE N N 15 115.584 . . . . . . A 92 PHE N . 36005 1
771 . 1 1 93 93 ASP H H 1 7.765 . . . . . . A 93 ASP H . 36005 1
772 . 1 1 93 93 ASP HA H 1 4.545 . . . . . . A 93 ASP HA . 36005 1
773 . 1 1 93 93 ASP HB2 H 1 2.201 . . . . . . A 93 ASP HB2 . 36005 1
774 . 1 1 93 93 ASP HB3 H 1 1.309 . . . . . . A 93 ASP HB3 . 36005 1
775 . 1 1 93 93 ASP CA C 13 51.051 . . . . . . A 93 ASP CA . 36005 1
776 . 1 1 93 93 ASP CB C 13 37.513 . . . . . . A 93 ASP CB . 36005 1
777 . 1 1 93 93 ASP N N 15 117.597 . . . . . . A 93 ASP N . 36005 1
778 . 1 1 94 94 LYS H H 1 7.647 . . . . . . A 94 LYS H . 36005 1
779 . 1 1 94 94 LYS HA H 1 3.855 . . . . . . A 94 LYS HA . 36005 1
780 . 1 1 94 94 LYS HB2 H 1 1.763 . . . . . . A 94 LYS HB2 . 36005 1
781 . 1 1 94 94 LYS HB3 H 1 1.763 . . . . . . A 94 LYS HB3 . 36005 1
782 . 1 1 94 94 LYS HG2 H 1 1.408 . . . . . . A 94 LYS HG2 . 36005 1
783 . 1 1 94 94 LYS HG3 H 1 1.408 . . . . . . A 94 LYS HG3 . 36005 1
784 . 1 1 94 94 LYS HD2 H 1 1.525 . . . . . . A 94 LYS HD2 . 36005 1
785 . 1 1 94 94 LYS HD3 H 1 1.525 . . . . . . A 94 LYS HD3 . 36005 1
786 . 1 1 94 94 LYS HE2 H 1 2.721 . . . . . . A 94 LYS HE2 . 36005 1
787 . 1 1 94 94 LYS HE3 H 1 2.721 . . . . . . A 94 LYS HE3 . 36005 1
788 . 1 1 94 94 LYS CA C 13 57.550 . . . . . . A 94 LYS CA . 36005 1
789 . 1 1 94 94 LYS CB C 13 31.144 . . . . . . A 94 LYS CB . 36005 1
790 . 1 1 94 94 LYS CG C 13 22.643 . . . . . . A 94 LYS CG . 36005 1
791 . 1 1 94 94 LYS CD C 13 26.874 . . . . . . A 94 LYS CD . 36005 1
792 . 1 1 94 94 LYS CE C 13 40.436 . . . . . . A 94 LYS CE . 36005 1
793 . 1 1 94 94 LYS N N 15 126.301 . . . . . . A 94 LYS N . 36005 1
794 . 1 1 95 95 ASP H H 1 8.131 . . . . . . A 95 ASP H . 36005 1
795 . 1 1 95 95 ASP HA H 1 4.498 . . . . . . A 95 ASP HA . 36005 1
796 . 1 1 95 95 ASP HB2 H 1 3.004 . . . . . . A 95 ASP HB2 . 36005 1
797 . 1 1 95 95 ASP HB3 H 1 2.606 . . . . . . A 95 ASP HB3 . 36005 1
798 . 1 1 95 95 ASP CA C 13 51.757 . . . . . . A 95 ASP CA . 36005 1
799 . 1 1 95 95 ASP CB C 13 38.367 . . . . . . A 95 ASP CB . 36005 1
800 . 1 1 95 95 ASP N N 15 114.851 . . . . . . A 95 ASP N . 36005 1
801 . 1 1 96 96 GLY H H 1 7.709 . . . . . . A 96 GLY H . 36005 1
802 . 1 1 96 96 GLY HA2 H 1 3.799 . . . . . . A 96 GLY HA2 . 36005 1
803 . 1 1 96 96 GLY HA3 H 1 3.799 . . . . . . A 96 GLY HA3 . 36005 1
804 . 1 1 96 96 GLY CA C 13 45.917 . . . . . . A 96 GLY CA . 36005 1
805 . 1 1 96 96 GLY N N 15 109.952 . . . . . . A 96 GLY N . 36005 1
806 . 1 1 97 97 ASN H H 1 8.298 . . . . . . A 97 ASN H . 36005 1
807 . 1 1 97 97 ASN HA H 1 4.586 . . . . . . A 97 ASN HA . 36005 1
808 . 1 1 97 97 ASN HB2 H 1 3.362 . . . . . . A 97 ASN HB2 . 36005 1
809 . 1 1 97 97 ASN HB3 H 1 2.599 . . . . . . A 97 ASN HB3 . 36005 1
810 . 1 1 97 97 ASN CA C 13 51.469 . . . . . . A 97 ASN CA . 36005 1
811 . 1 1 97 97 ASN CB C 13 36.931 . . . . . . A 97 ASN CB . 36005 1
812 . 1 1 97 97 ASN N N 15 120.276 . . . . . . A 97 ASN N . 36005 1
813 . 1 1 98 98 GLY H H 1 10.555 . . . . . . A 98 GLY H . 36005 1
814 . 1 1 98 98 GLY HA2 H 1 4.008 . . . . . . A 98 GLY HA2 . 36005 1
815 . 1 1 98 98 GLY HA3 H 1 3.401 . . . . . . A 98 GLY HA3 . 36005 1
816 . 1 1 98 98 GLY CA C 13 43.702 . . . . . . A 98 GLY CA . 36005 1
817 . 1 1 98 98 GLY N N 15 113.329 . . . . . . A 98 GLY N . 36005 1
818 . 1 1 99 99 TYR H H 1 7.590 . . . . . . A 99 TYR H . 36005 1
819 . 1 1 99 99 TYR HA H 1 4.966 . . . . . . A 99 TYR HA . 36005 1
820 . 1 1 99 99 TYR HB2 H 1 2.471 . . . . . . A 99 TYR HB2 . 36005 1
821 . 1 1 99 99 TYR HB3 H 1 2.471 . . . . . . A 99 TYR HB3 . 36005 1
822 . 1 1 99 99 TYR HD1 H 1 6.703 . . . . . . A 99 TYR HD1 . 36005 1
823 . 1 1 99 99 TYR CA C 13 54.926 . . . . . . A 99 TYR CA . 36005 1
824 . 1 1 99 99 TYR CB C 13 41.646 . . . . . . A 99 TYR CB . 36005 1
825 . 1 1 99 99 TYR N N 15 116.943 . . . . . . A 99 TYR N . 36005 1
826 . 1 1 100 100 ILE H H 1 10.058 . . . . . . A 100 ILE H . 36005 1
827 . 1 1 100 100 ILE HA H 1 4.598 . . . . . . A 100 ILE HA . 36005 1
828 . 1 1 100 100 ILE HB H 1 1.699 . . . . . . A 100 ILE HB . 36005 1
829 . 1 1 100 100 ILE HG21 H 1 0.817 . . . . . . A 100 ILE HG21 . 36005 1
830 . 1 1 100 100 ILE HG22 H 1 0.817 . . . . . . A 100 ILE HG22 . 36005 1
831 . 1 1 100 100 ILE HG23 H 1 0.817 . . . . . . A 100 ILE HG23 . 36005 1
832 . 1 1 100 100 ILE HD11 H 1 0.234 . . . . . . A 100 ILE HD11 . 36005 1
833 . 1 1 100 100 ILE HD12 H 1 0.234 . . . . . . A 100 ILE HD12 . 36005 1
834 . 1 1 100 100 ILE HD13 H 1 0.234 . . . . . . A 100 ILE HD13 . 36005 1
835 . 1 1 100 100 ILE CA C 13 59.934 . . . . . . A 100 ILE CA . 36005 1
836 . 1 1 100 100 ILE CB C 13 37.847 . . . . . . A 100 ILE CB . 36005 1
837 . 1 1 100 100 ILE CG1 C 13 25.589 . . . . . . A 100 ILE CG1 . 36005 1
838 . 1 1 100 100 ILE CG2 C 13 15.970 . . . . . . A 100 ILE CG2 . 36005 1
839 . 1 1 100 100 ILE CD1 C 13 14.367 . . . . . . A 100 ILE CD1 . 36005 1
840 . 1 1 100 100 ILE N N 15 128.016 . . . . . . A 100 ILE N . 36005 1
841 . 1 1 101 101 SER H H 1 8.883 . . . . . . A 101 SER H . 36005 1
842 . 1 1 101 101 SER HA H 1 4.804 . . . . . . A 101 SER HA . 36005 1
843 . 1 1 101 101 SER HB2 H 1 4.314 . . . . . . A 101 SER HB2 . 36005 1
844 . 1 1 101 101 SER HB3 H 1 3.884 . . . . . . A 101 SER HB3 . 36005 1
845 . 1 1 101 101 SER CA C 13 54.307 . . . . . . A 101 SER CA . 36005 1
846 . 1 1 101 101 SER CB C 13 65.736 . . . . . . A 101 SER CB . 36005 1
847 . 1 1 101 101 SER N N 15 124.475 . . . . . . A 101 SER N . 36005 1
848 . 1 1 102 102 ALA H H 1 9.209 . . . . . . A 102 ALA H . 36005 1
849 . 1 1 102 102 ALA HA H 1 3.846 . . . . . . A 102 ALA HA . 36005 1
850 . 1 1 102 102 ALA HB1 H 1 1.432 . . . . . . A 102 ALA HB1 . 36005 1
851 . 1 1 102 102 ALA HB2 H 1 1.432 . . . . . . A 102 ALA HB2 . 36005 1
852 . 1 1 102 102 ALA HB3 H 1 1.432 . . . . . . A 102 ALA HB3 . 36005 1
853 . 1 1 102 102 ALA CA C 13 54.576 . . . . . . A 102 ALA CA . 36005 1
854 . 1 1 102 102 ALA CB C 13 16.744 . . . . . . A 102 ALA CB . 36005 1
855 . 1 1 102 102 ALA N N 15 123.687 . . . . . . A 102 ALA N . 36005 1
856 . 1 1 103 103 ALA H H 1 8.170 . . . . . . A 103 ALA H . 36005 1
857 . 1 1 103 103 ALA HA H 1 3.993 . . . . . . A 103 ALA HA . 36005 1
858 . 1 1 103 103 ALA HB1 H 1 1.380 . . . . . . A 103 ALA HB1 . 36005 1
859 . 1 1 103 103 ALA HB2 H 1 1.380 . . . . . . A 103 ALA HB2 . 36005 1
860 . 1 1 103 103 ALA HB3 H 1 1.380 . . . . . . A 103 ALA HB3 . 36005 1
861 . 1 1 103 103 ALA CA C 13 54.091 . . . . . . A 103 ALA CA . 36005 1
862 . 1 1 103 103 ALA CB C 13 17.171 . . . . . . A 103 ALA CB . 36005 1
863 . 1 1 103 103 ALA N N 15 119.330 . . . . . . A 103 ALA N . 36005 1
864 . 1 1 104 104 GLU H H 1 7.606 . . . . . . A 104 GLU H . 36005 1
865 . 1 1 104 104 GLU HA H 1 3.941 . . . . . . A 104 GLU HA . 36005 1
866 . 1 1 104 104 GLU HB2 H 1 2.251 . . . . . . A 104 GLU HB2 . 36005 1
867 . 1 1 104 104 GLU HB3 H 1 1.799 . . . . . . A 104 GLU HB3 . 36005 1
868 . 1 1 104 104 GLU CA C 13 57.713 . . . . . . A 104 GLU CA . 36005 1
869 . 1 1 104 104 GLU CB C 13 28.580 . . . . . . A 104 GLU CB . 36005 1
870 . 1 1 104 104 GLU N N 15 119.173 . . . . . . A 104 GLU N . 36005 1
871 . 1 1 105 105 LEU H H 1 8.365 . . . . . . A 105 LEU H . 36005 1
872 . 1 1 105 105 LEU HA H 1 4.167 . . . . . . A 105 LEU HA . 36005 1
873 . 1 1 105 105 LEU HB2 H 1 1.958 . . . . . . A 105 LEU HB2 . 36005 1
874 . 1 1 105 105 LEU HB3 H 1 1.384 . . . . . . A 105 LEU HB3 . 36005 1
875 . 1 1 105 105 LEU HD11 H 1 0.937 . . . . . . A 105 LEU HD11 . 36005 1
876 . 1 1 105 105 LEU HD12 H 1 0.937 . . . . . . A 105 LEU HD12 . 36005 1
877 . 1 1 105 105 LEU HD13 H 1 0.937 . . . . . . A 105 LEU HD13 . 36005 1
878 . 1 1 105 105 LEU HD21 H 1 0.935 . . . . . . A 105 LEU HD21 . 36005 1
879 . 1 1 105 105 LEU HD22 H 1 0.935 . . . . . . A 105 LEU HD22 . 36005 1
880 . 1 1 105 105 LEU HD23 H 1 0.935 . . . . . . A 105 LEU HD23 . 36005 1
881 . 1 1 105 105 LEU CA C 13 57.570 . . . . . . A 105 LEU CA . 36005 1
882 . 1 1 105 105 LEU CB C 13 40.451 . . . . . . A 105 LEU CB . 36005 1
883 . 1 1 105 105 LEU CD1 C 13 25.070 . . . . . . A 105 LEU CD1 . 36005 1
884 . 1 1 105 105 LEU CD2 C 13 23.329 . . . . . . A 105 LEU CD2 . 36005 1
885 . 1 1 105 105 LEU N N 15 121.732 . . . . . . A 105 LEU N . 36005 1
886 . 1 1 106 106 ARG H H 1 8.765 . . . . . . A 106 ARG H . 36005 1
887 . 1 1 106 106 ARG HA H 1 3.725 . . . . . . A 106 ARG HA . 36005 1
888 . 1 1 106 106 ARG HB2 H 1 1.942 . . . . . . A 106 ARG HB2 . 36005 1
889 . 1 1 106 106 ARG HB3 H 1 1.942 . . . . . . A 106 ARG HB3 . 36005 1
890 . 1 1 106 106 ARG HG2 H 1 1.603 . . . . . . A 106 ARG HG2 . 36005 1
891 . 1 1 106 106 ARG HG3 H 1 1.603 . . . . . . A 106 ARG HG3 . 36005 1
892 . 1 1 106 106 ARG HD2 H 1 3.139 . . . . . . A 106 ARG HD2 . 36005 1
893 . 1 1 106 106 ARG HD3 H 1 3.139 . . . . . . A 106 ARG HD3 . 36005 1
894 . 1 1 106 106 ARG CA C 13 58.768 . . . . . . A 106 ARG CA . 36005 1
895 . 1 1 106 106 ARG CB C 13 29.133 . . . . . . A 106 ARG CB . 36005 1
896 . 1 1 106 106 ARG CG C 13 26.671 . . . . . . A 106 ARG CG . 36005 1
897 . 1 1 106 106 ARG CD C 13 42.453 . . . . . . A 106 ARG CD . 36005 1
898 . 1 1 106 106 ARG N N 15 119.023 . . . . . . A 106 ARG N . 36005 1
899 . 1 1 107 107 HIS H H 1 8.103 . . . . . . A 107 HIS H . 36005 1
900 . 1 1 107 107 HIS HA H 1 4.253 . . . . . . A 107 HIS HA . 36005 1
901 . 1 1 107 107 HIS HB2 H 1 3.345 . . . . . . A 107 HIS HB2 . 36005 1
902 . 1 1 107 107 HIS HB3 H 1 3.219 . . . . . . A 107 HIS HB3 . 36005 1
903 . 1 1 107 107 HIS CA C 13 58.865 . . . . . . A 107 HIS CA . 36005 1
904 . 1 1 107 107 HIS CB C 13 29.221 . . . . . . A 107 HIS CB . 36005 1
905 . 1 1 107 107 HIS N N 15 120.881 . . . . . . A 107 HIS N . 36005 1
906 . 1 1 108 108 VAL H H 1 7.842 . . . . . . A 108 VAL H . 36005 1
907 . 1 1 108 108 VAL HA H 1 3.467 . . . . . . A 108 VAL HA . 36005 1
908 . 1 1 108 108 VAL HB H 1 2.004 . . . . . . A 108 VAL HB . 36005 1
909 . 1 1 108 108 VAL HG11 H 1 0.898 . . . . . . A 108 VAL HG11 . 36005 1
910 . 1 1 108 108 VAL HG12 H 1 0.898 . . . . . . A 108 VAL HG12 . 36005 1
911 . 1 1 108 108 VAL HG13 H 1 0.898 . . . . . . A 108 VAL HG13 . 36005 1
912 . 1 1 108 108 VAL HG21 H 1 0.460 . . . . . . A 108 VAL HG21 . 36005 1
913 . 1 1 108 108 VAL HG22 H 1 0.460 . . . . . . A 108 VAL HG22 . 36005 1
914 . 1 1 108 108 VAL HG23 H 1 0.460 . . . . . . A 108 VAL HG23 . 36005 1
915 . 1 1 108 108 VAL CA C 13 65.633 . . . . . . A 108 VAL CA . 36005 1
916 . 1 1 108 108 VAL CB C 13 30.565 . . . . . . A 108 VAL CB . 36005 1
917 . 1 1 108 108 VAL CG1 C 13 22.110 . . . . . . A 108 VAL CG1 . 36005 1
918 . 1 1 108 108 VAL CG2 C 13 19.431 . . . . . . A 108 VAL CG2 . 36005 1
919 . 1 1 108 108 VAL N N 15 119.559 . . . . . . A 108 VAL N . 36005 1
920 . 1 1 109 109 MET H H 1 8.168 . . . . . . A 109 MET H . 36005 1
921 . 1 1 109 109 MET HA H 1 4.237 . . . . . . A 109 MET HA . 36005 1
922 . 1 1 109 109 MET HB2 H 1 1.950 . . . . . . A 109 MET HB2 . 36005 1
923 . 1 1 109 109 MET HB3 H 1 2.141 . . . . . . A 109 MET HB3 . 36005 1
924 . 1 1 109 109 MET HG2 H 1 2.557 . . . . . . A 109 MET HG2 . 36005 1
925 . 1 1 109 109 MET HG3 H 1 2.722 . . . . . . A 109 MET HG3 . 36005 1
926 . 1 1 109 109 MET CA C 13 56.195 . . . . . . A 109 MET CA . 36005 1
927 . 1 1 109 109 MET CB C 13 29.011 . . . . . . A 109 MET CB . 36005 1
928 . 1 1 109 109 MET N N 15 116.039 . . . . . . A 109 MET N . 36005 1
929 . 1 1 110 110 THR H H 1 8.490 . . . . . . A 110 THR H . 36005 1
930 . 1 1 110 110 THR HA H 1 3.961 . . . . . . A 110 THR HA . 36005 1
931 . 1 1 110 110 THR HB H 1 4.233 . . . . . . A 110 THR HB . 36005 1
932 . 1 1 110 110 THR HG21 H 1 1.162 . . . . . . A 110 THR HG21 . 36005 1
933 . 1 1 110 110 THR HG22 H 1 1.162 . . . . . . A 110 THR HG22 . 36005 1
934 . 1 1 110 110 THR HG23 H 1 1.162 . . . . . . A 110 THR HG23 . 36005 1
935 . 1 1 110 110 THR CA C 13 65.350 . . . . . . A 110 THR CA . 36005 1
936 . 1 1 110 110 THR CB C 13 67.303 . . . . . . A 110 THR CB . 36005 1
937 . 1 1 110 110 THR CG2 C 13 20.236 . . . . . . A 110 THR CG2 . 36005 1
938 . 1 1 110 110 THR N N 15 117.108 . . . . . . A 110 THR N . 36005 1
939 . 1 1 111 111 ASN H H 1 7.868 . . . . . . A 111 ASN H . 36005 1
940 . 1 1 111 111 ASN HA H 1 4.328 . . . . . . A 111 ASN HA . 36005 1
941 . 1 1 111 111 ASN HB2 H 1 2.797 . . . . . . A 111 ASN HB2 . 36005 1
942 . 1 1 111 111 ASN HB3 H 1 2.661 . . . . . . A 111 ASN HB3 . 36005 1
943 . 1 1 111 111 ASN CA C 13 54.755 . . . . . . A 111 ASN CA . 36005 1
944 . 1 1 111 111 ASN CB C 13 36.483 . . . . . . A 111 ASN CB . 36005 1
945 . 1 1 111 111 ASN N N 15 124.075 . . . . . . A 111 ASN N . 36005 1
946 . 1 1 112 112 LEU H H 1 7.710 . . . . . . A 112 LEU H . 36005 1
947 . 1 1 112 112 LEU HA H 1 4.169 . . . . . . A 112 LEU HA . 36005 1
948 . 1 1 112 112 LEU HB2 H 1 1.882 . . . . . . A 112 LEU HB2 . 36005 1
949 . 1 1 112 112 LEU HB3 H 1 1.564 . . . . . . A 112 LEU HB3 . 36005 1
950 . 1 1 112 112 LEU HG H 1 1.736 . . . . . . A 112 LEU HG . 36005 1
951 . 1 1 112 112 LEU HD11 H 1 0.738 . . . . . . A 112 LEU HD11 . 36005 1
952 . 1 1 112 112 LEU HD12 H 1 0.738 . . . . . . A 112 LEU HD12 . 36005 1
953 . 1 1 112 112 LEU HD13 H 1 0.738 . . . . . . A 112 LEU HD13 . 36005 1
954 . 1 1 112 112 LEU HD21 H 1 0.679 . . . . . . A 112 LEU HD21 . 36005 1
955 . 1 1 112 112 LEU HD22 H 1 0.679 . . . . . . A 112 LEU HD22 . 36005 1
956 . 1 1 112 112 LEU HD23 H 1 0.679 . . . . . . A 112 LEU HD23 . 36005 1
957 . 1 1 112 112 LEU CA C 13 54.275 . . . . . . A 112 LEU CA . 36005 1
958 . 1 1 112 112 LEU CB C 13 41.298 . . . . . . A 112 LEU CB . 36005 1
959 . 1 1 112 112 LEU CD1 C 13 24.850 . . . . . . A 112 LEU CD1 . 36005 1
960 . 1 1 112 112 LEU CD2 C 13 22.095 . . . . . . A 112 LEU CD2 . 36005 1
961 . 1 1 112 112 LEU N N 15 118.868 . . . . . . A 112 LEU N . 36005 1
962 . 1 1 113 113 GLY H H 1 7.672 . . . . . . A 113 GLY H . 36005 1
963 . 1 1 113 113 GLY HA2 H 1 4.191 . . . . . . A 113 GLY HA2 . 36005 1
964 . 1 1 113 113 GLY HA3 H 1 3.626 . . . . . . A 113 GLY HA3 . 36005 1
965 . 1 1 113 113 GLY CA C 13 43.948 . . . . . . A 113 GLY CA . 36005 1
966 . 1 1 113 113 GLY N N 15 106.547 . . . . . . A 113 GLY N . 36005 1
967 . 1 1 114 114 GLU H H 1 7.921 . . . . . . A 114 GLU H . 36005 1
968 . 1 1 114 114 GLU HA H 1 4.354 . . . . . . A 114 GLU HA . 36005 1
969 . 1 1 114 114 GLU HB2 H 1 1.587 . . . . . . A 114 GLU HB2 . 36005 1
970 . 1 1 114 114 GLU HB3 H 1 1.587 . . . . . . A 114 GLU HB3 . 36005 1
971 . 1 1 114 114 GLU HG2 H 1 1.950 . . . . . . A 114 GLU HG2 . 36005 1
972 . 1 1 114 114 GLU HG3 H 1 1.950 . . . . . . A 114 GLU HG3 . 36005 1
973 . 1 1 114 114 GLU CA C 13 53.374 . . . . . . A 114 GLU CA . 36005 1
974 . 1 1 114 114 GLU CB C 13 29.354 . . . . . . A 114 GLU CB . 36005 1
975 . 1 1 114 114 GLU CG C 13 33.939 . . . . . . A 114 GLU CG . 36005 1
976 . 1 1 114 114 GLU N N 15 121.825 . . . . . . A 114 GLU N . 36005 1
977 . 1 1 115 115 LYS H H 1 8.496 . . . . . . A 115 LYS H . 36005 1
978 . 1 1 115 115 LYS HA H 1 4.318 . . . . . . A 115 LYS HA . 36005 1
979 . 1 1 115 115 LYS HB2 H 1 1.653 . . . . . . A 115 LYS HB2 . 36005 1
980 . 1 1 115 115 LYS HB3 H 1 1.596 . . . . . . A 115 LYS HB3 . 36005 1
981 . 1 1 115 115 LYS HG2 H 1 1.291 . . . . . . A 115 LYS HG2 . 36005 1
982 . 1 1 115 115 LYS HG3 H 1 1.241 . . . . . . A 115 LYS HG3 . 36005 1
983 . 1 1 115 115 LYS CA C 13 54.323 . . . . . . A 115 LYS CA . 36005 1
984 . 1 1 115 115 LYS CB C 13 30.753 . . . . . . A 115 LYS CB . 36005 1
985 . 1 1 115 115 LYS CG C 13 23.254 . . . . . . A 115 LYS CG . 36005 1
986 . 1 1 115 115 LYS CD C 13 27.806 . . . . . . A 115 LYS CD . 36005 1
987 . 1 1 115 115 LYS N N 15 125.871 . . . . . . A 115 LYS N . 36005 1
988 . 1 1 116 116 LEU H H 1 7.998 . . . . . . A 116 LEU H . 36005 1
989 . 1 1 116 116 LEU HA H 1 4.711 . . . . . . A 116 LEU HA . 36005 1
990 . 1 1 116 116 LEU HB2 H 1 1.518 . . . . . . A 116 LEU HB2 . 36005 1
991 . 1 1 116 116 LEU HB3 H 1 1.421 . . . . . . A 116 LEU HB3 . 36005 1
992 . 1 1 116 116 LEU HG H 1 1.922 . . . . . . A 116 LEU HG . 36005 1
993 . 1 1 116 116 LEU HD11 H 1 0.728 . . . . . . A 116 LEU HD11 . 36005 1
994 . 1 1 116 116 LEU HD12 H 1 0.728 . . . . . . A 116 LEU HD12 . 36005 1
995 . 1 1 116 116 LEU HD13 H 1 0.728 . . . . . . A 116 LEU HD13 . 36005 1
996 . 1 1 116 116 LEU HD21 H 1 0.745 . . . . . . A 116 LEU HD21 . 36005 1
997 . 1 1 116 116 LEU HD22 H 1 0.745 . . . . . . A 116 LEU HD22 . 36005 1
998 . 1 1 116 116 LEU HD23 H 1 0.745 . . . . . . A 116 LEU HD23 . 36005 1
999 . 1 1 116 116 LEU CA C 13 52.673 . . . . . . A 116 LEU CA . 36005 1
1000 . 1 1 116 116 LEU CB C 13 43.459 . . . . . . A 116 LEU CB . 36005 1
1001 . 1 1 116 116 LEU CD1 C 13 25.216 . . . . . . A 116 LEU CD1 . 36005 1
1002 . 1 1 116 116 LEU CD2 C 13 22.537 . . . . . . A 116 LEU CD2 . 36005 1
1003 . 1 1 116 116 LEU N N 15 125.547 . . . . . . A 116 LEU N . 36005 1
1004 . 1 1 117 117 THR H H 1 9.239 . . . . . . A 117 THR H . 36005 1
1005 . 1 1 117 117 THR HA H 1 4.387 . . . . . . A 117 THR HA . 36005 1
1006 . 1 1 117 117 THR HB H 1 4.683 . . . . . . A 117 THR HB . 36005 1
1007 . 1 1 117 117 THR HG21 H 1 1.258 . . . . . . A 117 THR HG21 . 36005 1
1008 . 1 1 117 117 THR HG22 H 1 1.258 . . . . . . A 117 THR HG22 . 36005 1
1009 . 1 1 117 117 THR HG23 H 1 1.258 . . . . . . A 117 THR HG23 . 36005 1
1010 . 1 1 117 117 THR CA C 13 59.332 . . . . . . A 117 THR CA . 36005 1
1011 . 1 1 117 117 THR CB C 13 69.896 . . . . . . A 117 THR CB . 36005 1
1012 . 1 1 117 117 THR CG2 C 13 20.492 . . . . . . A 117 THR CG2 . 36005 1
1013 . 1 1 117 117 THR N N 15 115.407 . . . . . . A 117 THR N . 36005 1
1014 . 1 1 118 118 ASP H H 1 8.812 . . . . . . A 118 ASP H . 36005 1
1015 . 1 1 118 118 ASP HA H 1 4.137 . . . . . . A 118 ASP HA . 36005 1
1016 . 1 1 118 118 ASP HB2 H 1 2.673 . . . . . . A 118 ASP HB2 . 36005 1
1017 . 1 1 118 118 ASP HB3 H 1 2.518 . . . . . . A 118 ASP HB3 . 36005 1
1018 . 1 1 118 118 ASP CA C 13 56.630 . . . . . . A 118 ASP CA . 36005 1
1019 . 1 1 118 118 ASP CB C 13 38.435 . . . . . . A 118 ASP CB . 36005 1
1020 . 1 1 118 118 ASP N N 15 121.783 . . . . . . A 118 ASP N . 36005 1
1021 . 1 1 119 119 GLU H H 1 8.532 . . . . . . A 119 GLU H . 36005 1
1022 . 1 1 119 119 GLU HA H 1 4.024 . . . . . . A 119 GLU HA . 36005 1
1023 . 1 1 119 119 GLU CA C 13 58.664 . . . . . . A 119 GLU CA . 36005 1
1024 . 1 1 119 119 GLU CB C 13 27.837 . . . . . . A 119 GLU CB . 36005 1
1025 . 1 1 119 119 GLU N N 15 119.752 . . . . . . A 119 GLU N . 36005 1
1026 . 1 1 121 121 VAL H H 1 7.975 . . . . . . A 121 VAL H . 36005 1
1027 . 1 1 121 121 VAL HA H 1 3.531 . . . . . . A 121 VAL HA . 36005 1
1028 . 1 1 121 121 VAL HB H 1 2.164 . . . . . . A 121 VAL HB . 36005 1
1029 . 1 1 121 121 VAL HG11 H 1 0.909 . . . . . . A 121 VAL HG11 . 36005 1
1030 . 1 1 121 121 VAL HG12 H 1 0.909 . . . . . . A 121 VAL HG12 . 36005 1
1031 . 1 1 121 121 VAL HG13 H 1 0.909 . . . . . . A 121 VAL HG13 . 36005 1
1032 . 1 1 121 121 VAL HG21 H 1 0.965 . . . . . . A 121 VAL HG21 . 36005 1
1033 . 1 1 121 121 VAL HG22 H 1 0.965 . . . . . . A 121 VAL HG22 . 36005 1
1034 . 1 1 121 121 VAL HG23 H 1 0.965 . . . . . . A 121 VAL HG23 . 36005 1
1035 . 1 1 121 121 VAL CA C 13 65.640 . . . . . . A 121 VAL CA . 36005 1
1036 . 1 1 121 121 VAL CB C 13 30.259 . . . . . . A 121 VAL CB . 36005 1
1037 . 1 1 121 121 VAL CG1 C 13 22.218 . . . . . . A 121 VAL CG1 . 36005 1
1038 . 1 1 121 121 VAL CG2 C 13 20.986 . . . . . . A 121 VAL CG2 . 36005 1
1039 . 1 1 121 121 VAL N N 15 121.126 . . . . . . A 121 VAL N . 36005 1
1040 . 1 1 122 122 ASP H H 1 8.000 . . . . . . A 122 ASP H . 36005 1
1041 . 1 1 122 122 ASP HA H 1 4.254 . . . . . . A 122 ASP HA . 36005 1
1042 . 1 1 122 122 ASP HB2 H 1 2.674 . . . . . . A 122 ASP HB2 . 36005 1
1043 . 1 1 122 122 ASP HB3 H 1 2.540 . . . . . . A 122 ASP HB3 . 36005 1
1044 . 1 1 122 122 ASP CA C 13 56.302 . . . . . . A 122 ASP CA . 36005 1
1045 . 1 1 122 122 ASP CB C 13 39.291 . . . . . . A 122 ASP CB . 36005 1
1046 . 1 1 122 122 ASP N N 15 120.159 . . . . . . A 122 ASP N . 36005 1
1047 . 1 1 123 123 GLU H H 1 7.954 . . . . . . A 123 GLU H . 36005 1
1048 . 1 1 123 123 GLU HA H 1 3.928 . . . . . . A 123 GLU HA . 36005 1
1049 . 1 1 123 123 GLU HB2 H 1 2.010 . . . . . . A 123 GLU HB2 . 36005 1
1050 . 1 1 123 123 GLU HB3 H 1 2.010 . . . . . . A 123 GLU HB3 . 36005 1
1051 . 1 1 123 123 GLU HG2 H 1 2.234 . . . . . . A 123 GLU HG2 . 36005 1
1052 . 1 1 123 123 GLU HG3 H 1 2.234 . . . . . . A 123 GLU HG3 . 36005 1
1053 . 1 1 123 123 GLU CA C 13 57.960 . . . . . . A 123 GLU CA . 36005 1
1054 . 1 1 123 123 GLU CB C 13 28.278 . . . . . . A 123 GLU CB . 36005 1
1055 . 1 1 123 123 GLU N N 15 120.079 . . . . . . A 123 GLU N . 36005 1
1056 . 1 1 124 124 MET H H 1 7.567 . . . . . . A 124 MET H . 36005 1
1057 . 1 1 124 124 MET HA H 1 3.954 . . . . . . A 124 MET HA . 36005 1
1058 . 1 1 124 124 MET HB2 H 1 2.747 . . . . . . A 124 MET HB2 . 36005 1
1059 . 1 1 124 124 MET HB3 H 1 2.727 . . . . . . A 124 MET HB3 . 36005 1
1060 . 1 1 124 124 MET CA C 13 58.289 . . . . . . A 124 MET CA . 36005 1
1061 . 1 1 124 124 MET CB C 13 32.175 . . . . . . A 124 MET CB . 36005 1
1062 . 1 1 124 124 MET N N 15 119.711 . . . . . . A 124 MET N . 36005 1
1063 . 1 1 125 125 ILE H H 1 7.711 . . . . . . A 125 ILE H . 36005 1
1064 . 1 1 125 125 ILE HA H 1 3.423 . . . . . . A 125 ILE HA . 36005 1
1065 . 1 1 125 125 ILE HB H 1 2.090 . . . . . . A 125 ILE HB . 36005 1
1066 . 1 1 125 125 ILE HG12 H 1 1.386 . . . . . . A 125 ILE HG12 . 36005 1
1067 . 1 1 125 125 ILE HG13 H 1 1.345 . . . . . . A 125 ILE HG13 . 36005 1
1068 . 1 1 125 125 ILE HG21 H 1 0.630 . . . . . . A 125 ILE HG21 . 36005 1
1069 . 1 1 125 125 ILE HG22 H 1 0.630 . . . . . . A 125 ILE HG22 . 36005 1
1070 . 1 1 125 125 ILE HG23 H 1 0.630 . . . . . . A 125 ILE HG23 . 36005 1
1071 . 1 1 125 125 ILE HD11 H 1 0.604 . . . . . . A 125 ILE HD11 . 36005 1
1072 . 1 1 125 125 ILE HD12 H 1 0.604 . . . . . . A 125 ILE HD12 . 36005 1
1073 . 1 1 125 125 ILE HD13 H 1 0.604 . . . . . . A 125 ILE HD13 . 36005 1
1074 . 1 1 125 125 ILE CA C 13 62.060 . . . . . . A 125 ILE CA . 36005 1
1075 . 1 1 125 125 ILE CB C 13 35.004 . . . . . . A 125 ILE CB . 36005 1
1076 . 1 1 125 125 ILE CG1 C 13 26.609 . . . . . . A 125 ILE CG1 . 36005 1
1077 . 1 1 125 125 ILE CG2 C 13 14.987 . . . . . . A 125 ILE CG2 . 36005 1
1078 . 1 1 125 125 ILE CD1 C 13 8.905 . . . . . . A 125 ILE CD1 . 36005 1
1079 . 1 1 125 125 ILE N N 15 118.225 . . . . . . A 125 ILE N . 36005 1
1080 . 1 1 126 126 ARG H H 1 8.245 . . . . . . A 126 ARG H . 36005 1
1081 . 1 1 126 126 ARG HA H 1 3.936 . . . . . . A 126 ARG HA . 36005 1
1082 . 1 1 126 126 ARG HB2 H 1 1.833 . . . . . . A 126 ARG HB2 . 36005 1
1083 . 1 1 126 126 ARG HB3 H 1 1.833 . . . . . . A 126 ARG HB3 . 36005 1
1084 . 1 1 126 126 ARG HD2 H 1 3.135 . . . . . . A 126 ARG HD2 . 36005 1
1085 . 1 1 126 126 ARG HD3 H 1 3.135 . . . . . . A 126 ARG HD3 . 36005 1
1086 . 1 1 126 126 ARG CA C 13 58.421 . . . . . . A 126 ARG CA . 36005 1
1087 . 1 1 126 126 ARG CB C 13 29.011 . . . . . . A 126 ARG CB . 36005 1
1088 . 1 1 126 126 ARG CG C 13 26.496 . . . . . . A 126 ARG CG . 36005 1
1089 . 1 1 126 126 ARG CD C 13 42.243 . . . . . . A 126 ARG CD . 36005 1
1090 . 1 1 126 126 ARG N N 15 118.849 . . . . . . A 126 ARG N . 36005 1
1091 . 1 1 127 127 GLU H H 1 7.615 . . . . . . A 127 GLU H . 36005 1
1092 . 1 1 127 127 GLU HA H 1 3.915 . . . . . . A 127 GLU HA . 36005 1
1093 . 1 1 127 127 GLU HB2 H 1 1.974 . . . . . . A 127 GLU HB2 . 36005 1
1094 . 1 1 127 127 GLU HB3 H 1 1.974 . . . . . . A 127 GLU HB3 . 36005 1
1095 . 1 1 127 127 GLU HG2 H 1 2.241 . . . . . . A 127 GLU HG2 . 36005 1
1096 . 1 1 127 127 GLU HG3 H 1 2.241 . . . . . . A 127 GLU HG3 . 36005 1
1097 . 1 1 127 127 GLU CA C 13 57.405 . . . . . . A 127 GLU CA . 36005 1
1098 . 1 1 127 127 GLU CB C 13 28.437 . . . . . . A 127 GLU CB . 36005 1
1099 . 1 1 127 127 GLU N N 15 116.866 . . . . . . A 127 GLU N . 36005 1
1100 . 1 1 128 128 ALA H H 1 7.090 . . . . . . A 128 ALA H . 36005 1
1101 . 1 1 128 128 ALA HA H 1 4.431 . . . . . . A 128 ALA HA . 36005 1
1102 . 1 1 128 128 ALA HB1 H 1 1.321 . . . . . . A 128 ALA HB1 . 36005 1
1103 . 1 1 128 128 ALA HB2 H 1 1.321 . . . . . . A 128 ALA HB2 . 36005 1
1104 . 1 1 128 128 ALA HB3 H 1 1.321 . . . . . . A 128 ALA HB3 . 36005 1
1105 . 1 1 128 128 ALA CA C 13 50.569 . . . . . . A 128 ALA CA . 36005 1
1106 . 1 1 128 128 ALA CB C 13 20.234 . . . . . . A 128 ALA CB . 36005 1
1107 . 1 1 128 128 ALA N N 15 118.800 . . . . . . A 128 ALA N . 36005 1
1108 . 1 1 129 129 ASP H H 1 7.788 . . . . . . A 129 ASP H . 36005 1
1109 . 1 1 129 129 ASP HA H 1 4.394 . . . . . . A 129 ASP HA . 36005 1
1110 . 1 1 129 129 ASP HB2 H 1 2.371 . . . . . . A 129 ASP HB2 . 36005 1
1111 . 1 1 129 129 ASP HB3 H 1 2.744 . . . . . . A 129 ASP HB3 . 36005 1
1112 . 1 1 129 129 ASP CA C 13 52.723 . . . . . . A 129 ASP CA . 36005 1
1113 . 1 1 129 129 ASP CB C 13 39.313 . . . . . . A 129 ASP CB . 36005 1
1114 . 1 1 129 129 ASP N N 15 118.840 . . . . . . A 129 ASP N . 36005 1
1115 . 1 1 130 130 ILE H H 1 8.098 . . . . . . A 130 ILE H . 36005 1
1116 . 1 1 130 130 ILE HA H 1 3.799 . . . . . . A 130 ILE HA . 36005 1
1117 . 1 1 130 130 ILE HB H 1 1.906 . . . . . . A 130 ILE HB . 36005 1
1118 . 1 1 130 130 ILE HG12 H 1 1.646 . . . . . . A 130 ILE HG12 . 36005 1
1119 . 1 1 130 130 ILE HG13 H 1 1.207 . . . . . . A 130 ILE HG13 . 36005 1
1120 . 1 1 130 130 ILE HG21 H 1 0.861 . . . . . . A 130 ILE HG21 . 36005 1
1121 . 1 1 130 130 ILE HG22 H 1 0.861 . . . . . . A 130 ILE HG22 . 36005 1
1122 . 1 1 130 130 ILE HG23 H 1 0.861 . . . . . . A 130 ILE HG23 . 36005 1
1123 . 1 1 130 130 ILE HD11 H 1 0.823 . . . . . . A 130 ILE HD11 . 36005 1
1124 . 1 1 130 130 ILE HD12 H 1 0.823 . . . . . . A 130 ILE HD12 . 36005 1
1125 . 1 1 130 130 ILE HD13 H 1 0.823 . . . . . . A 130 ILE HD13 . 36005 1
1126 . 1 1 130 130 ILE CA C 13 62.440 . . . . . . A 130 ILE CA . 36005 1
1127 . 1 1 130 130 ILE CB C 13 37.274 . . . . . . A 130 ILE CB . 36005 1
1128 . 1 1 130 130 ILE CG1 C 13 26.771 . . . . . . A 130 ILE CG1 . 36005 1
1129 . 1 1 130 130 ILE CG2 C 13 16.073 . . . . . . A 130 ILE CG2 . 36005 1
1130 . 1 1 130 130 ILE CD1 C 13 11.173 . . . . . . A 130 ILE CD1 . 36005 1
1131 . 1 1 130 130 ILE N N 15 128.438 . . . . . . A 130 ILE N . 36005 1
1132 . 1 1 131 131 ASP H H 1 8.307 . . . . . . A 131 ASP H . 36005 1
1133 . 1 1 131 131 ASP HA H 1 4.404 . . . . . . A 131 ASP HA . 36005 1
1134 . 1 1 131 131 ASP HB2 H 1 2.982 . . . . . . A 131 ASP HB2 . 36005 1
1135 . 1 1 131 131 ASP CA C 13 52.803 . . . . . . A 131 ASP CA . 36005 1
1136 . 1 1 131 131 ASP CB C 13 38.835 . . . . . . A 131 ASP CB . 36005 1
1137 . 1 1 131 131 ASP N N 15 117.046 . . . . . . A 131 ASP N . 36005 1
1138 . 1 1 132 132 GLY H H 1 7.547 . . . . . . A 132 GLY H . 36005 1
1139 . 1 1 132 132 GLY CA C 13 46.242 . . . . . . A 132 GLY CA . 36005 1
1140 . 1 1 132 132 GLY N N 15 109.096 . . . . . . A 132 GLY N . 36005 1
1141 . 1 1 133 133 ASP H H 1 8.278 . . . . . . A 133 ASP H . 36005 1
1142 . 1 1 133 133 ASP HA H 1 4.369 . . . . . . A 133 ASP HA . 36005 1
1143 . 1 1 133 133 ASP HB2 H 1 2.873 . . . . . . A 133 ASP HB2 . 36005 1
1144 . 1 1 133 133 ASP HB3 H 1 2.404 . . . . . . A 133 ASP HB3 . 36005 1
1145 . 1 1 133 133 ASP CA C 13 52.417 . . . . . . A 133 ASP CA . 36005 1
1146 . 1 1 133 133 ASP CB C 13 39.007 . . . . . . A 133 ASP CB . 36005 1
1147 . 1 1 133 133 ASP N N 15 121.382 . . . . . . A 133 ASP N . 36005 1
1148 . 1 1 134 134 GLY H H 1 10.224 . . . . . . A 134 GLY H . 36005 1
1149 . 1 1 134 134 GLY HA2 H 1 3.974 . . . . . . A 134 GLY HA2 . 36005 1
1150 . 1 1 134 134 GLY HA3 H 1 3.350 . . . . . . A 134 GLY HA3 . 36005 1
1151 . 1 1 134 134 GLY CA C 13 44.470 . . . . . . A 134 GLY CA . 36005 1
1152 . 1 1 134 134 GLY N N 15 113.335 . . . . . . A 134 GLY N . 36005 1
1153 . 1 1 135 135 GLN H H 1 7.892 . . . . . . A 135 GLN H . 36005 1
1154 . 1 1 135 135 GLN HA H 1 4.831 . . . . . . A 135 GLN HA . 36005 1
1155 . 1 1 135 135 GLN HB2 H 1 1.919 . . . . . . A 135 GLN HB2 . 36005 1
1156 . 1 1 135 135 GLN HB3 H 1 1.634 . . . . . . A 135 GLN HB3 . 36005 1
1157 . 1 1 135 135 GLN CA C 13 52.044 . . . . . . A 135 GLN CA . 36005 1
1158 . 1 1 135 135 GLN CB C 13 31.473 . . . . . . A 135 GLN CB . 36005 1
1159 . 1 1 135 135 GLN N N 15 116.165 . . . . . . A 135 GLN N . 36005 1
1160 . 1 1 136 136 VAL H H 1 9.009 . . . . . . A 136 VAL H . 36005 1
1161 . 1 1 136 136 VAL HA H 1 5.139 . . . . . . A 136 VAL HA . 36005 1
1162 . 1 1 136 136 VAL HB H 1 2.141 . . . . . . A 136 VAL HB . 36005 1
1163 . 1 1 136 136 VAL HG11 H 1 0.835 . . . . . . A 136 VAL HG11 . 36005 1
1164 . 1 1 136 136 VAL HG12 H 1 0.835 . . . . . . A 136 VAL HG12 . 36005 1
1165 . 1 1 136 136 VAL HG13 H 1 0.835 . . . . . . A 136 VAL HG13 . 36005 1
1166 . 1 1 136 136 VAL HG21 H 1 1.186 . . . . . . A 136 VAL HG21 . 36005 1
1167 . 1 1 136 136 VAL HG22 H 1 1.186 . . . . . . A 136 VAL HG22 . 36005 1
1168 . 1 1 136 136 VAL HG23 H 1 1.186 . . . . . . A 136 VAL HG23 . 36005 1
1169 . 1 1 136 136 VAL CA C 13 60.381 . . . . . . A 136 VAL CA . 36005 1
1170 . 1 1 136 136 VAL CB C 13 32.594 . . . . . . A 136 VAL CB . 36005 1
1171 . 1 1 136 136 VAL CG1 C 13 21.356 . . . . . . A 136 VAL CG1 . 36005 1
1172 . 1 1 136 136 VAL CG2 C 13 20.136 . . . . . . A 136 VAL CG2 . 36005 1
1173 . 1 1 136 136 VAL N N 15 126.049 . . . . . . A 136 VAL N . 36005 1
1174 . 1 1 137 137 ASN H H 1 9.451 . . . . . . A 137 ASN H . 36005 1
1175 . 1 1 137 137 ASN HA H 1 5.266 . . . . . . A 137 ASN HA . 36005 1
1176 . 1 1 137 137 ASN HB2 H 1 2.848 . . . . . . A 137 ASN HB2 . 36005 1
1177 . 1 1 137 137 ASN HB3 H 1 3.103 . . . . . . A 137 ASN HB3 . 36005 1
1178 . 1 1 137 137 ASN CA C 13 49.758 . . . . . . A 137 ASN CA . 36005 1
1179 . 1 1 137 137 ASN CB C 13 37.297 . . . . . . A 137 ASN CB . 36005 1
1180 . 1 1 137 137 ASN N N 15 129.771 . . . . . . A 137 ASN N . 36005 1
1181 . 1 1 138 138 TYR H H 1 8.259 . . . . . . A 138 TYR H . 36005 1
1182 . 1 1 138 138 TYR HA H 1 3.282 . . . . . . A 138 TYR HA . 36005 1
1183 . 1 1 138 138 TYR HB2 H 1 2.309 . . . . . . A 138 TYR HB2 . 36005 1
1184 . 1 1 138 138 TYR HD1 H 1 6.253 . . . . . . A 138 TYR HD1 . 36005 1
1185 . 1 1 138 138 TYR HD2 H 1 6.243 . . . . . . A 138 TYR HD2 . 36005 1
1186 . 1 1 138 138 TYR HE1 H 1 6.450 . . . . . . A 138 TYR HE1 . 36005 1
1187 . 1 1 138 138 TYR CA C 13 61.235 . . . . . . A 138 TYR CA . 36005 1
1188 . 1 1 138 138 TYR CB C 13 36.677 . . . . . . A 138 TYR CB . 36005 1
1189 . 1 1 138 138 TYR N N 15 119.676 . . . . . . A 138 TYR N . 36005 1
1190 . 1 1 139 139 GLU H H 1 8.021 . . . . . . A 139 GLU H . 36005 1
1191 . 1 1 139 139 GLU HA H 1 3.605 . . . . . . A 139 GLU HA . 36005 1
1192 . 1 1 139 139 GLU HB2 H 1 1.975 . . . . . . A 139 GLU HB2 . 36005 1
1193 . 1 1 139 139 GLU HB3 H 1 2.090 . . . . . . A 139 GLU HB3 . 36005 1
1194 . 1 1 139 139 GLU HG2 H 1 2.274 . . . . . . A 139 GLU HG2 . 36005 1
1195 . 1 1 139 139 GLU HG3 H 1 2.229 . . . . . . A 139 GLU HG3 . 36005 1
1196 . 1 1 139 139 GLU CA C 13 59.019 . . . . . . A 139 GLU CA . 36005 1
1197 . 1 1 139 139 GLU CB C 13 27.603 . . . . . . A 139 GLU CB . 36005 1
1198 . 1 1 139 139 GLU CG C 13 35.876 . . . . . . A 139 GLU CG . 36005 1
1199 . 1 1 139 139 GLU N N 15 119.245 . . . . . . A 139 GLU N . 36005 1
1200 . 1 1 140 140 GLU H H 1 8.674 . . . . . . A 140 GLU H . 36005 1
1201 . 1 1 140 140 GLU HA H 1 3.910 . . . . . . A 140 GLU HA . 36005 1
1202 . 1 1 140 140 GLU HB2 H 1 2.253 . . . . . . A 140 GLU HB2 . 36005 1
1203 . 1 1 140 140 GLU HB3 H 1 2.504 . . . . . . A 140 GLU HB3 . 36005 1
1204 . 1 1 140 140 GLU CA C 13 57.585 . . . . . . A 140 GLU CA . 36005 1
1205 . 1 1 140 140 GLU CB C 13 27.971 . . . . . . A 140 GLU CB . 36005 1
1206 . 1 1 140 140 GLU N N 15 120.560 . . . . . . A 140 GLU N . 36005 1
1207 . 1 1 141 141 PHE H H 1 8.617 . . . . . . A 141 PHE H . 36005 1
1208 . 1 1 141 141 PHE HA H 1 3.893 . . . . . . A 141 PHE HA . 36005 1
1209 . 1 1 141 141 PHE HB2 H 1 3.099 . . . . . . A 141 PHE HB2 . 36005 1
1210 . 1 1 141 141 PHE HB3 H 1 3.099 . . . . . . A 141 PHE HB3 . 36005 1
1211 . 1 1 141 141 PHE HD1 H 1 6.910 . . . . . . A 141 PHE HD1 . 36005 1
1212 . 1 1 141 141 PHE HE1 H 1 7.136 . . . . . . A 141 PHE HE1 . 36005 1
1213 . 1 1 141 141 PHE HE2 H 1 7.141 . . . . . . A 141 PHE HE2 . 36005 1
1214 . 1 1 141 141 PHE HZ H 1 6.940 . . . . . . A 141 PHE HZ . 36005 1
1215 . 1 1 141 141 PHE CA C 13 60.223 . . . . . . A 141 PHE CA . 36005 1
1216 . 1 1 141 141 PHE CB C 13 38.917 . . . . . . A 141 PHE CB . 36005 1
1217 . 1 1 141 141 PHE N N 15 125.080 . . . . . . A 141 PHE N . 36005 1
1218 . 1 1 142 142 VAL H H 1 8.486 . . . . . . A 142 VAL H . 36005 1
1219 . 1 1 142 142 VAL HA H 1 3.125 . . . . . . A 142 VAL HA . 36005 1
1220 . 1 1 142 142 VAL HB H 1 1.766 . . . . . . A 142 VAL HB . 36005 1
1221 . 1 1 142 142 VAL HG11 H 1 0.451 . . . . . . A 142 VAL HG11 . 36005 1
1222 . 1 1 142 142 VAL HG12 H 1 0.451 . . . . . . A 142 VAL HG12 . 36005 1
1223 . 1 1 142 142 VAL HG13 H 1 0.451 . . . . . . A 142 VAL HG13 . 36005 1
1224 . 1 1 142 142 VAL HG21 H 1 0.684 . . . . . . A 142 VAL HG21 . 36005 1
1225 . 1 1 142 142 VAL HG22 H 1 0.684 . . . . . . A 142 VAL HG22 . 36005 1
1226 . 1 1 142 142 VAL HG23 H 1 0.684 . . . . . . A 142 VAL HG23 . 36005 1
1227 . 1 1 142 142 VAL CA C 13 65.708 . . . . . . A 142 VAL CA . 36005 1
1228 . 1 1 142 142 VAL CB C 13 30.202 . . . . . . A 142 VAL CB . 36005 1
1229 . 1 1 142 142 VAL CG1 C 13 21.786 . . . . . . A 142 VAL CG1 . 36005 1
1230 . 1 1 142 142 VAL CG2 C 13 20.167 . . . . . . A 142 VAL CG2 . 36005 1
1231 . 1 1 142 142 VAL N N 15 119.013 . . . . . . A 142 VAL N . 36005 1
1232 . 1 1 143 143 GLN H H 1 7.802 . . . . . . A 143 GLN H . 36005 1
1233 . 1 1 143 143 GLN HA H 1 3.842 . . . . . . A 143 GLN HA . 36005 1
1234 . 1 1 143 143 GLN HB2 H 1 2.053 . . . . . . A 143 GLN HB2 . 36005 1
1235 . 1 1 143 143 GLN HB3 H 1 2.053 . . . . . . A 143 GLN HB3 . 36005 1
1236 . 1 1 143 143 GLN HG2 H 1 2.337 . . . . . . A 143 GLN HG2 . 36005 1
1237 . 1 1 143 143 GLN HG3 H 1 2.337 . . . . . . A 143 GLN HG3 . 36005 1
1238 . 1 1 143 143 GLN HE21 H 1 7.371 . . . . . . A 143 GLN HE21 . 36005 1
1239 . 1 1 143 143 GLN HE22 H 1 6.750 . . . . . . A 143 GLN HE22 . 36005 1
1240 . 1 1 143 143 GLN CA C 13 57.646 . . . . . . A 143 GLN CA . 36005 1
1241 . 1 1 143 143 GLN CB C 13 26.958 . . . . . . A 143 GLN CB . 36005 1
1242 . 1 1 143 143 GLN CG C 13 32.865 . . . . . . A 143 GLN CG . 36005 1
1243 . 1 1 143 143 GLN N N 15 119.955 . . . . . . A 143 GLN N . 36005 1
1244 . 1 1 144 144 MET H H 1 7.624 . . . . . . A 144 MET H . 36005 1
1245 . 1 1 144 144 MET HA H 1 4.139 . . . . . . A 144 MET HA . 36005 1
1246 . 1 1 144 144 MET HB2 H 1 2.415 . . . . . . A 144 MET HB2 . 36005 1
1247 . 1 1 144 144 MET HB3 H 1 2.415 . . . . . . A 144 MET HB3 . 36005 1
1248 . 1 1 144 144 MET CA C 13 57.483 . . . . . . A 144 MET CA . 36005 1
1249 . 1 1 144 144 MET CB C 13 30.449 . . . . . . A 144 MET CB . 36005 1
1250 . 1 1 144 144 MET N N 15 118.713 . . . . . . A 144 MET N . 36005 1
1251 . 1 1 145 145 MET H H 1 7.492 . . . . . . A 145 MET H . 36005 1
1252 . 1 1 145 145 MET HA H 1 4.198 . . . . . . A 145 MET HA . 36005 1
1253 . 1 1 145 145 MET HB2 H 1 1.841 . . . . . . A 145 MET HB2 . 36005 1
1254 . 1 1 145 145 MET HB3 H 1 2.014 . . . . . . A 145 MET HB3 . 36005 1
1255 . 1 1 145 145 MET CA C 13 53.719 . . . . . . A 145 MET CA . 36005 1
1256 . 1 1 145 145 MET N N 15 115.179 . . . . . . A 145 MET N . 36005 1
1257 . 1 1 146 146 THR H H 1 7.403 . . . . . . A 146 THR H . 36005 1
1258 . 1 1 146 146 THR HA H 1 4.287 . . . . . . A 146 THR HA . 36005 1
1259 . 1 1 146 146 THR HB H 1 4.182 . . . . . . A 146 THR HB . 36005 1
1260 . 1 1 146 146 THR HG21 H 1 1.108 . . . . . . A 146 THR HG21 . 36005 1
1261 . 1 1 146 146 THR HG22 H 1 1.108 . . . . . . A 146 THR HG22 . 36005 1
1262 . 1 1 146 146 THR HG23 H 1 1.108 . . . . . . A 146 THR HG23 . 36005 1
1263 . 1 1 146 146 THR CA C 13 60.602 . . . . . . A 146 THR CA . 36005 1
1264 . 1 1 146 146 THR CB C 13 69.271 . . . . . . A 146 THR CB . 36005 1
1265 . 1 1 146 146 THR CG2 C 13 19.979 . . . . . . A 146 THR CG2 . 36005 1
1266 . 1 1 146 146 THR N N 15 109.759 . . . . . . A 146 THR N . 36005 1
1267 . 1 1 147 147 ALA H H 1 7.825 . . . . . . A 147 ALA H . 36005 1
1268 . 1 1 147 147 ALA HA H 1 4.236 . . . . . . A 147 ALA HA . 36005 1
1269 . 1 1 147 147 ALA HB1 H 1 1.335 . . . . . . A 147 ALA HB1 . 36005 1
1270 . 1 1 147 147 ALA HB2 H 1 1.335 . . . . . . A 147 ALA HB2 . 36005 1
1271 . 1 1 147 147 ALA HB3 H 1 1.335 . . . . . . A 147 ALA HB3 . 36005 1
1272 . 1 1 147 147 ALA CA C 13 51.536 . . . . . . A 147 ALA CA . 36005 1
1273 . 1 1 147 147 ALA CB C 13 17.859 . . . . . . A 147 ALA CB . 36005 1
1274 . 1 1 147 147 ALA N N 15 127.461 . . . . . . A 147 ALA N . 36005 1
1275 . 1 1 148 148 LYS H H 1 7.802 . . . . . . A 148 LYS H . 36005 1
1276 . 1 1 148 148 LYS HA H 1 4.063 . . . . . . A 148 LYS HA . 36005 1
1277 . 1 1 148 148 LYS HB2 H 1 1.750 . . . . . . A 148 LYS HB2 . 36005 1
1278 . 1 1 148 148 LYS HB3 H 1 1.623 . . . . . . A 148 LYS HB3 . 36005 1
1279 . 1 1 148 148 LYS HG2 H 1 1.348 . . . . . . A 148 LYS HG2 . 36005 1
1280 . 1 1 148 148 LYS HG3 H 1 1.348 . . . . . . A 148 LYS HG3 . 36005 1
1281 . 1 1 148 148 LYS HD2 H 1 1.591 . . . . . . A 148 LYS HD2 . 36005 1
1282 . 1 1 148 148 LYS HD3 H 1 1.591 . . . . . . A 148 LYS HD3 . 36005 1
1283 . 1 1 148 148 LYS CA C 13 56.321 . . . . . . A 148 LYS CA . 36005 1
1284 . 1 1 148 148 LYS CB C 13 32.386 . . . . . . A 148 LYS CB . 36005 1
1285 . 1 1 148 148 LYS CG C 13 23.474 . . . . . . A 148 LYS CG . 36005 1
1286 . 1 1 148 148 LYS CD C 13 27.777 . . . . . . A 148 LYS CD . 36005 1
1287 . 1 1 148 148 LYS N N 15 126.662 . . . . . . A 148 LYS N . 36005 1
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