data_52475
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 52475
_Entry.Title
;
Solution NMR backbone assignment of SorcinFL
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2024-05-21
_Entry.Accession_date 2024-05-21
_Entry.Last_release_date 2024-05-21
_Entry.Original_release_date 2024-05-21
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.14.0
_Entry.NMR_STAR_dict_location .
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID .
_Entry.Generated_software_label .
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details 'backbone residue assignment of SorcinFL'
_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 'Kathleen Joyce' Carillo . D. . 0009-0006-1632-5709 52475
2 Qiushi Ye . . . 0000-0002-5569-1545 52475
3 Nicolas Delaeter . . . 0009-0002-8550-5106 52475
4 Yanan He . . . 0000-0002-1428-1507 52475
5 Yihong Chen . . . 0000-0002-9763-7379 52475
6 John Orban . P. . 0000-0002-3895-1800 52475
7 Yanxin Liu . . . 0000-0002-2253-3698 52475
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
1 . 'Department of Chemistry and Biochemistry, University of Maryland, College Park, MD 20740, USA' . 52475
2 . 'Institute for Bioscience and Biotechnology Research, University of Maryland, Rockville, MD 20850, USA' . 52475
3 . "School of Physics, Xi'an Jiaotong University, Xi'an, Shaanxi, 710049, China" . 52475
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 52475
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 532 52475
'15N chemical shifts' 185 52475
'1H chemical shifts' 185 52475
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
2 . . 2024-10-31 2024-05-21 update BMRB 'update entry citation' 52475
1 . . 2024-09-09 2024-05-21 original author 'original release' 52475
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 52475
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.PubMed_ID 39215797
_Citation.DOI .
_Citation.Full_citation .
_Citation.Title
;
Solution NMR backbone resonance assignment of the full-length resistance-related calcium-binding protein Sorcin
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Biomol. NMR Assign.'
_Citation.Journal_name_full .
_Citation.Journal_volume 18
_Citation.Journal_issue 2
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 253
_Citation.Page_last 256
_Citation.Year 2024
_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 'Kathleen Joyce' Carillo . D. . . 52475 1
2 Qiushi Ye . . . . 52475 1
3 Nicolas Delaeter . . . . 52475 1
4 Yanan He . . . . 52475 1
5 Yihong Chen . . . . 52475 1
6 John Orban . P. . . 52475 1
7 Yanxin Liu . . . . 52475 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
SorcinFL 52475 1
'backbone resonance assignment' 52475 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 52475
_Assembly.ID 1
_Assembly.Name SorcinFL
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states no
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange no
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass 22000
_Assembly.Enzyme_commission_number .
_Assembly.Details 'A penta-EF hand protein that naturally exists as a homodimer.'
_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 SorcinFL 1 $entity_1 . . yes native no no . . . 52475 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 52475
_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 .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GIDPFTAYPGHPGAGGGYYP
GGYGGAPGGPAFPGQTQDPL
YGYFAAVAGQDGQIDADELQ
RCLTQSGIAGGYKPFNLETC
RLMVSMLDRDMSGTMGFNEF
KELWAVLNGWRQHFISFDTD
RSGTVDPQELQKALTTMGFR
LSPQAVNSIAKRYSTNGKIT
FDDYIACCVKLRALTDSFRR
RDTAQQGVVNFPYDDFIQCV
MSV
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 203
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details
;
SorcinFL is a full-length calcium binding protein.
The first 5 residues are not part of the actual Sorcin protein sequence but instead are part of the linker used in the protein construct.
;
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 yes UNP P30626 . SORCN_HUMAN . . . . . . . . . . . . . . 52475 1
stop_
loop_
_Entity_biological_function.Biological_function
_Entity_biological_function.Entry_ID
_Entity_biological_function.Entity_ID
;
A a penta-EF hand calcium-binding protein that confers multidrug resistance in cancer cells and regulates cellular Ca2+ homeostasis by interacting with calcium channels in the endoplasmic reticulum.
;
52475 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 . GLY . 52475 1
2 . ILE . 52475 1
3 . ASP . 52475 1
4 . PRO . 52475 1
5 . PHE . 52475 1
6 . THR . 52475 1
7 . ALA . 52475 1
8 . TYR . 52475 1
9 . PRO . 52475 1
10 . GLY . 52475 1
11 . HIS . 52475 1
12 . PRO . 52475 1
13 . GLY . 52475 1
14 . ALA . 52475 1
15 . GLY . 52475 1
16 . GLY . 52475 1
17 . GLY . 52475 1
18 . TYR . 52475 1
19 . TYR . 52475 1
20 . PRO . 52475 1
21 . GLY . 52475 1
22 . GLY . 52475 1
23 . TYR . 52475 1
24 . GLY . 52475 1
25 . GLY . 52475 1
26 . ALA . 52475 1
27 . PRO . 52475 1
28 . GLY . 52475 1
29 . GLY . 52475 1
30 . PRO . 52475 1
31 . ALA . 52475 1
32 . PHE . 52475 1
33 . PRO . 52475 1
34 . GLY . 52475 1
35 . GLN . 52475 1
36 . THR . 52475 1
37 . GLN . 52475 1
38 . ASP . 52475 1
39 . PRO . 52475 1
40 . LEU . 52475 1
41 . TYR . 52475 1
42 . GLY . 52475 1
43 . TYR . 52475 1
44 . PHE . 52475 1
45 . ALA . 52475 1
46 . ALA . 52475 1
47 . VAL . 52475 1
48 . ALA . 52475 1
49 . GLY . 52475 1
50 . GLN . 52475 1
51 . ASP . 52475 1
52 . GLY . 52475 1
53 . GLN . 52475 1
54 . ILE . 52475 1
55 . ASP . 52475 1
56 . ALA . 52475 1
57 . ASP . 52475 1
58 . GLU . 52475 1
59 . LEU . 52475 1
60 . GLN . 52475 1
61 . ARG . 52475 1
62 . CYS . 52475 1
63 . LEU . 52475 1
64 . THR . 52475 1
65 . GLN . 52475 1
66 . SER . 52475 1
67 . GLY . 52475 1
68 . ILE . 52475 1
69 . ALA . 52475 1
70 . GLY . 52475 1
71 . GLY . 52475 1
72 . TYR . 52475 1
73 . LYS . 52475 1
74 . PRO . 52475 1
75 . PHE . 52475 1
76 . ASN . 52475 1
77 . LEU . 52475 1
78 . GLU . 52475 1
79 . THR . 52475 1
80 . CYS . 52475 1
81 . ARG . 52475 1
82 . LEU . 52475 1
83 . MET . 52475 1
84 . VAL . 52475 1
85 . SER . 52475 1
86 . MET . 52475 1
87 . LEU . 52475 1
88 . ASP . 52475 1
89 . ARG . 52475 1
90 . ASP . 52475 1
91 . MET . 52475 1
92 . SER . 52475 1
93 . GLY . 52475 1
94 . THR . 52475 1
95 . MET . 52475 1
96 . GLY . 52475 1
97 . PHE . 52475 1
98 . ASN . 52475 1
99 . GLU . 52475 1
100 . PHE . 52475 1
101 . LYS . 52475 1
102 . GLU . 52475 1
103 . LEU . 52475 1
104 . TRP . 52475 1
105 . ALA . 52475 1
106 . VAL . 52475 1
107 . LEU . 52475 1
108 . ASN . 52475 1
109 . GLY . 52475 1
110 . TRP . 52475 1
111 . ARG . 52475 1
112 . GLN . 52475 1
113 . HIS . 52475 1
114 . PHE . 52475 1
115 . ILE . 52475 1
116 . SER . 52475 1
117 . PHE . 52475 1
118 . ASP . 52475 1
119 . THR . 52475 1
120 . ASP . 52475 1
121 . ARG . 52475 1
122 . SER . 52475 1
123 . GLY . 52475 1
124 . THR . 52475 1
125 . VAL . 52475 1
126 . ASP . 52475 1
127 . PRO . 52475 1
128 . GLN . 52475 1
129 . GLU . 52475 1
130 . LEU . 52475 1
131 . GLN . 52475 1
132 . LYS . 52475 1
133 . ALA . 52475 1
134 . LEU . 52475 1
135 . THR . 52475 1
136 . THR . 52475 1
137 . MET . 52475 1
138 . GLY . 52475 1
139 . PHE . 52475 1
140 . ARG . 52475 1
141 . LEU . 52475 1
142 . SER . 52475 1
143 . PRO . 52475 1
144 . GLN . 52475 1
145 . ALA . 52475 1
146 . VAL . 52475 1
147 . ASN . 52475 1
148 . SER . 52475 1
149 . ILE . 52475 1
150 . ALA . 52475 1
151 . LYS . 52475 1
152 . ARG . 52475 1
153 . TYR . 52475 1
154 . SER . 52475 1
155 . THR . 52475 1
156 . ASN . 52475 1
157 . GLY . 52475 1
158 . LYS . 52475 1
159 . ILE . 52475 1
160 . THR . 52475 1
161 . PHE . 52475 1
162 . ASP . 52475 1
163 . ASP . 52475 1
164 . TYR . 52475 1
165 . ILE . 52475 1
166 . ALA . 52475 1
167 . CYS . 52475 1
168 . CYS . 52475 1
169 . VAL . 52475 1
170 . LYS . 52475 1
171 . LEU . 52475 1
172 . ARG . 52475 1
173 . ALA . 52475 1
174 . LEU . 52475 1
175 . THR . 52475 1
176 . ASP . 52475 1
177 . SER . 52475 1
178 . PHE . 52475 1
179 . ARG . 52475 1
180 . ARG . 52475 1
181 . ARG . 52475 1
182 . ASP . 52475 1
183 . THR . 52475 1
184 . ALA . 52475 1
185 . GLN . 52475 1
186 . GLN . 52475 1
187 . GLY . 52475 1
188 . VAL . 52475 1
189 . VAL . 52475 1
190 . ASN . 52475 1
191 . PHE . 52475 1
192 . PRO . 52475 1
193 . TYR . 52475 1
194 . ASP . 52475 1
195 . ASP . 52475 1
196 . PHE . 52475 1
197 . ILE . 52475 1
198 . GLN . 52475 1
199 . CYS . 52475 1
200 . VAL . 52475 1
201 . MET . 52475 1
202 . SER . 52475 1
203 . VAL . 52475 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 52475 1
. ILE 2 2 52475 1
. ASP 3 3 52475 1
. PRO 4 4 52475 1
. PHE 5 5 52475 1
. THR 6 6 52475 1
. ALA 7 7 52475 1
. TYR 8 8 52475 1
. PRO 9 9 52475 1
. GLY 10 10 52475 1
. HIS 11 11 52475 1
. PRO 12 12 52475 1
. GLY 13 13 52475 1
. ALA 14 14 52475 1
. GLY 15 15 52475 1
. GLY 16 16 52475 1
. GLY 17 17 52475 1
. TYR 18 18 52475 1
. TYR 19 19 52475 1
. PRO 20 20 52475 1
. GLY 21 21 52475 1
. GLY 22 22 52475 1
. TYR 23 23 52475 1
. GLY 24 24 52475 1
. GLY 25 25 52475 1
. ALA 26 26 52475 1
. PRO 27 27 52475 1
. GLY 28 28 52475 1
. GLY 29 29 52475 1
. PRO 30 30 52475 1
. ALA 31 31 52475 1
. PHE 32 32 52475 1
. PRO 33 33 52475 1
. GLY 34 34 52475 1
. GLN 35 35 52475 1
. THR 36 36 52475 1
. GLN 37 37 52475 1
. ASP 38 38 52475 1
. PRO 39 39 52475 1
. LEU 40 40 52475 1
. TYR 41 41 52475 1
. GLY 42 42 52475 1
. TYR 43 43 52475 1
. PHE 44 44 52475 1
. ALA 45 45 52475 1
. ALA 46 46 52475 1
. VAL 47 47 52475 1
. ALA 48 48 52475 1
. GLY 49 49 52475 1
. GLN 50 50 52475 1
. ASP 51 51 52475 1
. GLY 52 52 52475 1
. GLN 53 53 52475 1
. ILE 54 54 52475 1
. ASP 55 55 52475 1
. ALA 56 56 52475 1
. ASP 57 57 52475 1
. GLU 58 58 52475 1
. LEU 59 59 52475 1
. GLN 60 60 52475 1
. ARG 61 61 52475 1
. CYS 62 62 52475 1
. LEU 63 63 52475 1
. THR 64 64 52475 1
. GLN 65 65 52475 1
. SER 66 66 52475 1
. GLY 67 67 52475 1
. ILE 68 68 52475 1
. ALA 69 69 52475 1
. GLY 70 70 52475 1
. GLY 71 71 52475 1
. TYR 72 72 52475 1
. LYS 73 73 52475 1
. PRO 74 74 52475 1
. PHE 75 75 52475 1
. ASN 76 76 52475 1
. LEU 77 77 52475 1
. GLU 78 78 52475 1
. THR 79 79 52475 1
. CYS 80 80 52475 1
. ARG 81 81 52475 1
. LEU 82 82 52475 1
. MET 83 83 52475 1
. VAL 84 84 52475 1
. SER 85 85 52475 1
. MET 86 86 52475 1
. LEU 87 87 52475 1
. ASP 88 88 52475 1
. ARG 89 89 52475 1
. ASP 90 90 52475 1
. MET 91 91 52475 1
. SER 92 92 52475 1
. GLY 93 93 52475 1
. THR 94 94 52475 1
. MET 95 95 52475 1
. GLY 96 96 52475 1
. PHE 97 97 52475 1
. ASN 98 98 52475 1
. GLU 99 99 52475 1
. PHE 100 100 52475 1
. LYS 101 101 52475 1
. GLU 102 102 52475 1
. LEU 103 103 52475 1
. TRP 104 104 52475 1
. ALA 105 105 52475 1
. VAL 106 106 52475 1
. LEU 107 107 52475 1
. ASN 108 108 52475 1
. GLY 109 109 52475 1
. TRP 110 110 52475 1
. ARG 111 111 52475 1
. GLN 112 112 52475 1
. HIS 113 113 52475 1
. PHE 114 114 52475 1
. ILE 115 115 52475 1
. SER 116 116 52475 1
. PHE 117 117 52475 1
. ASP 118 118 52475 1
. THR 119 119 52475 1
. ASP 120 120 52475 1
. ARG 121 121 52475 1
. SER 122 122 52475 1
. GLY 123 123 52475 1
. THR 124 124 52475 1
. VAL 125 125 52475 1
. ASP 126 126 52475 1
. PRO 127 127 52475 1
. GLN 128 128 52475 1
. GLU 129 129 52475 1
. LEU 130 130 52475 1
. GLN 131 131 52475 1
. LYS 132 132 52475 1
. ALA 133 133 52475 1
. LEU 134 134 52475 1
. THR 135 135 52475 1
. THR 136 136 52475 1
. MET 137 137 52475 1
. GLY 138 138 52475 1
. PHE 139 139 52475 1
. ARG 140 140 52475 1
. LEU 141 141 52475 1
. SER 142 142 52475 1
. PRO 143 143 52475 1
. GLN 144 144 52475 1
. ALA 145 145 52475 1
. VAL 146 146 52475 1
. ASN 147 147 52475 1
. SER 148 148 52475 1
. ILE 149 149 52475 1
. ALA 150 150 52475 1
. LYS 151 151 52475 1
. ARG 152 152 52475 1
. TYR 153 153 52475 1
. SER 154 154 52475 1
. THR 155 155 52475 1
. ASN 156 156 52475 1
. GLY 157 157 52475 1
. LYS 158 158 52475 1
. ILE 159 159 52475 1
. THR 160 160 52475 1
. PHE 161 161 52475 1
. ASP 162 162 52475 1
. ASP 163 163 52475 1
. TYR 164 164 52475 1
. ILE 165 165 52475 1
. ALA 166 166 52475 1
. CYS 167 167 52475 1
. CYS 168 168 52475 1
. VAL 169 169 52475 1
. LYS 170 170 52475 1
. LEU 171 171 52475 1
. ARG 172 172 52475 1
. ALA 173 173 52475 1
. LEU 174 174 52475 1
. THR 175 175 52475 1
. ASP 176 176 52475 1
. SER 177 177 52475 1
. PHE 178 178 52475 1
. ARG 179 179 52475 1
. ARG 180 180 52475 1
. ARG 181 181 52475 1
. ASP 182 182 52475 1
. THR 183 183 52475 1
. ALA 184 184 52475 1
. GLN 185 185 52475 1
. GLN 186 186 52475 1
. GLY 187 187 52475 1
. VAL 188 188 52475 1
. VAL 189 189 52475 1
. ASN 190 190 52475 1
. PHE 191 191 52475 1
. PRO 192 192 52475 1
. TYR 193 193 52475 1
. ASP 194 194 52475 1
. ASP 195 195 52475 1
. PHE 196 196 52475 1
. ILE 197 197 52475 1
. GLN 198 198 52475 1
. CYS 199 199 52475 1
. VAL 200 200 52475 1
. MET 201 201 52475 1
. SER 202 202 52475 1
. VAL 203 203 52475 1
stop_
save_
####################
# Natural source #
####################
save_natural_source_1
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source_1
_Entity_natural_src_list.Entry_ID 52475
_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 . . . . . . . . . . . . . 52475 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source_1
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source_1
_Entity_experimental_src_list.Entry_ID 52475
_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' . . . Escherichia coli Rosetta(DE3) . . plasmid . . pET151D-TOPO . . . 52475 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 52475
_Sample.ID 1
_Sample.Name SorcinFL
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number 1
_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 SorcinFL '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.44 . . mM . . . . 52475 1
2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 52475 1
3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 52475 1
4 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52475 1
5 HEPES 'natural abundance' . . . . . . 40 . . mM . . . . 52475 1
6 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 52475 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 52475
_Sample_condition_list.ID 1
_Sample_condition_list.Name 'High temp and neutral pH condition'
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.15 . M 52475 1
pH 7.5 . pH 52475 1
pressure 1 . atm 52475 1
temperature 310 . K 52475 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 52475
_Software.ID 1
_Software.Type .
_Software.Name CARA
_Software.Version 1.9.1.7
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' . 52475 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 52475
_Software.ID 2
_Software.Type .
_Software.Name TOPSPIN
_Software.Version 3.6
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
collection . 52475 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 52475
_Software.ID 3
_Software.Type .
_Software.Name NMRFAM-SPARKY
_Software.Version 3.115
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
processing . 52475 3
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 52475
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name 'Bruker AVANCE III 600 MHz'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE III'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list_1
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list_1
_Experiment_list.Entry_ID 52475
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NUS_flag
_Experiment.Interleaved_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.Details
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N TROSY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52475 1
2 '3D CBCA(CO)NH' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52475 1
3 '3D HNCACB' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52475 1
4 '3D HNCO' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52475 1
5 '3D HNCACO' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52475 1
stop_
loop_
_Experiment_file.Experiment_ID
_Experiment_file.Experiment_name
_Experiment_file.Name
_Experiment_file.Type
_Experiment_file.Content
_Experiment_file.Directory_path
_Experiment_file.Details
_Experiment_file.Entry_ID
_Experiment_file.Experiment_list_ID
1 '2D 1H-15N TROSY' sorcin_FL_trhsqc_37C.ucsf . 'Time-domain (raw spectral data)' . . 52475 1
2 '3D CBCA(CO)NH' sorcin_FL_trhncocacb_37C.ucsf . 'Time-domain (raw spectral data)' . . 52475 1
3 '3D HNCACB' sorcin_FL_trhncacb_37C.ucsf . 'Time-domain (raw spectral data)' . . 52475 1
4 '3D HNCO' sorcin_FL_trhnco.ucsf . 'Time-domain (raw spectral data)' . . 52475 1
5 '3D HNCACO' sorcin_FL_trhncaco_37C.ucsf . 'Time-domain (raw spectral data)' . . 52475 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 52475
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name 'IUPAC referencing'
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl carbons' . . . . ppm 0 internal direct 1 . . . . . 52475 1
H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52475 1
N 15 DSS nitrogen . . . . ppm 0 internal direct 1 . . . . . 52475 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_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52475
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name SorcinFL
_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
2 '3D CBCA(CO)NH' . . . 52475 1
3 '3D HNCACB' . . . 52475 1
4 '3D HNCO' . . . 52475 1
5 '3D HNCACO' . . . 52475 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52475 1
2 $software_2 . . 52475 1
3 $software_3 . . 52475 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 2 2 ILE H H 1 7.942 0.020 . 1 . . . . . 2 ILE H . 52475 1
2 . 1 . 1 2 2 ILE C C 13 176.204 0.3 . 1 . . . . . 2 ILE C . 52475 1
3 . 1 . 1 2 2 ILE CA C 13 57.635 0.3 . 1 . . . . . 2 ILE CA . 52475 1
4 . 1 . 1 2 2 ILE CB C 13 37.973 0.3 . 1 . . . . . 2 ILE CB . 52475 1
5 . 1 . 1 2 2 ILE N N 15 120.691 0.3 . 1 . . . . . 2 ILE N . 52475 1
6 . 1 . 1 3 3 ASP H H 1 8.269 0.020 . 1 . . . . . 3 ASP H . 52475 1
7 . 1 . 1 3 3 ASP C C 13 174.780 0.3 . 1 . . . . . 3 ASP C . 52475 1
8 . 1 . 1 3 3 ASP CA C 13 51.496 0.3 . 1 . . . . . 3 ASP CA . 52475 1
9 . 1 . 1 3 3 ASP CB C 13 40.731 0.3 . 1 . . . . . 3 ASP CB . 52475 1
10 . 1 . 1 3 3 ASP N N 15 126.506 0.3 . 1 . . . . . 3 ASP N . 52475 1
11 . 1 . 1 5 5 PHE H H 1 8.084 0.020 . 1 . . . . . 5 PHE H . 52475 1
12 . 1 . 1 5 5 PHE C C 13 175.900 0.3 . 1 . . . . . 5 PHE C . 52475 1
13 . 1 . 1 5 5 PHE CA C 13 57.724 0.3 . 1 . . . . . 5 PHE CA . 52475 1
14 . 1 . 1 5 5 PHE CB C 13 37.884 0.3 . 1 . . . . . 5 PHE CB . 52475 1
15 . 1 . 1 5 5 PHE N N 15 118.881 0.3 . 1 . . . . . 5 PHE N . 52475 1
16 . 1 . 1 6 6 THR H H 1 7.592 0.020 . 1 . . . . . 6 THR H . 52475 1
17 . 1 . 1 6 6 THR C C 13 173.546 0.3 . 1 . . . . . 6 THR C . 52475 1
18 . 1 . 1 6 6 THR CA C 13 61.282 0.3 . 1 . . . . . 6 THR CA . 52475 1
19 . 1 . 1 6 6 THR CB C 13 68.933 0.3 . 1 . . . . . 6 THR CB . 52475 1
20 . 1 . 1 6 6 THR N N 15 115.371 0.3 . 1 . . . . . 6 THR N . 52475 1
21 . 1 . 1 7 7 ALA H H 1 7.812 0.020 . 1 . . . . . 7 ALA H . 52475 1
22 . 1 . 1 7 7 ALA C C 13 176.507 0.3 . 1 . . . . . 7 ALA C . 52475 1
23 . 1 . 1 7 7 ALA CA C 13 51.763 0.3 . 1 . . . . . 7 ALA CA . 52475 1
24 . 1 . 1 7 7 ALA CB C 13 18.490 0.3 . 1 . . . . . 7 ALA CB . 52475 1
25 . 1 . 1 7 7 ALA N N 15 126.319 0.3 . 1 . . . . . 7 ALA N . 52475 1
26 . 1 . 1 8 8 TYR H H 1 7.824 0.020 . 1 . . . . . 8 TYR H . 52475 1
27 . 1 . 1 8 8 TYR C C 13 173.906 0.3 . 1 . . . . . 8 TYR C . 52475 1
28 . 1 . 1 8 8 TYR CA C 13 54.788 0.3 . 1 . . . . . 8 TYR CA . 52475 1
29 . 1 . 1 8 8 TYR CB C 13 37.262 0.3 . 1 . . . . . 8 TYR CB . 52475 1
30 . 1 . 1 8 8 TYR N N 15 120.440 0.3 . 1 . . . . . 8 TYR N . 52475 1
31 . 1 . 1 10 10 GLY H H 1 7.898 0.020 . 1 . . . . . 10 GLY H . 52475 1
32 . 1 . 1 10 10 GLY C C 13 174.248 0.3 . 1 . . . . . 10 GLY C . 52475 1
33 . 1 . 1 10 10 GLY CA C 13 44.290 0.3 . 1 . . . . . 10 GLY CA . 52475 1
34 . 1 . 1 10 10 GLY N N 15 109.185 0.3 . 1 . . . . . 10 GLY N . 52475 1
35 . 1 . 1 11 11 HIS H H 1 7.893 0.020 . 1 . . . . . 11 HIS H . 52475 1
36 . 1 . 1 11 11 HIS C C 13 174.286 0.3 . 1 . . . . . 11 HIS C . 52475 1
37 . 1 . 1 11 11 HIS CA C 13 54.877 0.3 . 1 . . . . . 11 HIS CA . 52475 1
38 . 1 . 1 11 11 HIS CB C 13 29.700 0.3 . 1 . . . . . 11 HIS CB . 52475 1
39 . 1 . 1 11 11 HIS N N 15 121.272 0.3 . 1 . . . . . 11 HIS N . 52475 1
40 . 1 . 1 13 13 GLY H H 1 8.249 0.020 . 1 . . . . . 13 GLY H . 52475 1
41 . 1 . 1 13 13 GLY C C 13 172.786 0.3 . 1 . . . . . 13 GLY C . 52475 1
42 . 1 . 1 13 13 GLY CA C 13 44.379 0.3 . 1 . . . . . 13 GLY CA . 52475 1
43 . 1 . 1 13 13 GLY N N 15 111.283 0.3 . 1 . . . . . 13 GLY N . 52475 1
44 . 1 . 1 14 14 ALA H H 1 7.888 0.020 . 1 . . . . . 14 ALA H . 52475 1
45 . 1 . 1 14 14 ALA C C 13 175.556 0.3 . 1 . . . . . 14 ALA C . 52475 1
46 . 1 . 1 14 14 ALA CA C 13 49.539 0.3 . 1 . . . . . 14 ALA CA . 52475 1
47 . 1 . 1 14 14 ALA CB C 13 17.334 0.3 . 1 . . . . . 14 ALA CB . 52475 1
48 . 1 . 1 14 14 ALA N N 15 124.905 0.3 . 1 . . . . . 14 ALA N . 52475 1
49 . 1 . 1 15 15 GLY H H 1 8.199 0.020 . 1 . . . . . 15 GLY H . 52475 1
50 . 1 . 1 15 15 GLY C C 13 175.007 0.3 . 1 . . . . . 15 GLY C . 52475 1
51 . 1 . 1 15 15 GLY CA C 13 44.913 0.3 . 1 . . . . . 15 GLY CA . 52475 1
52 . 1 . 1 15 15 GLY N N 15 111.712 0.3 . 1 . . . . . 15 GLY N . 52475 1
53 . 1 . 1 16 16 GLY H H 1 8.004 0.020 . 1 . . . . . 16 GLY H . 52475 1
54 . 1 . 1 16 16 GLY C C 13 170.926 0.3 . 1 . . . . . 16 GLY C . 52475 1
55 . 1 . 1 16 16 GLY CA C 13 44.735 0.3 . 1 . . . . . 16 GLY CA . 52475 1
56 . 1 . 1 16 16 GLY N N 15 108.760 0.3 . 1 . . . . . 16 GLY N . 52475 1
57 . 1 . 1 17 17 GLY H H 1 7.961 0.020 . 1 . . . . . 17 GLY H . 52475 1
58 . 1 . 1 17 17 GLY C C 13 173.773 0.3 . 1 . . . . . 17 GLY C . 52475 1
59 . 1 . 1 17 17 GLY CA C 13 44.735 0.3 . 1 . . . . . 17 GLY CA . 52475 1
60 . 1 . 1 17 17 GLY N N 15 108.901 0.3 . 1 . . . . . 17 GLY N . 52475 1
61 . 1 . 1 18 18 TYR H H 1 7.763 0.020 . 1 . . . . . 18 TYR H . 52475 1
62 . 1 . 1 18 18 TYR C C 13 174.419 0.3 . 1 . . . . . 18 TYR C . 52475 1
63 . 1 . 1 18 18 TYR CA C 13 57.190 0.3 . 1 . . . . . 18 TYR CA . 52475 1
64 . 1 . 1 18 18 TYR CB C 13 37.884 0.3 . 1 . . . . . 18 TYR CB . 52475 1
65 . 1 . 1 18 18 TYR N N 15 120.563 0.3 . 1 . . . . . 18 TYR N . 52475 1
66 . 1 . 1 19 19 TYR H H 1 7.877 0.020 . 1 . . . . . 19 TYR H . 52475 1
67 . 1 . 1 19 19 TYR C C 13 173.508 0.3 . 1 . . . . . 19 TYR C . 52475 1
68 . 1 . 1 19 19 TYR CA C 13 54.165 0.3 . 1 . . . . . 19 TYR CA . 52475 1
69 . 1 . 1 19 19 TYR CB C 13 37.795 0.3 . 1 . . . . . 19 TYR CB . 52475 1
70 . 1 . 1 19 19 TYR N N 15 124.229 0.3 . 1 . . . . . 19 TYR N . 52475 1
71 . 1 . 1 21 21 GLY H H 1 8.209 0.020 . 1 . . . . . 21 GLY H . 52475 1
72 . 1 . 1 21 21 GLY C C 13 174.176 0.3 . 1 . . . . . 21 GLY C . 52475 1
73 . 1 . 1 21 21 GLY CA C 13 44.379 0.3 . 1 . . . . . 21 GLY CA . 52475 1
74 . 1 . 1 21 21 GLY N N 15 109.584 0.3 . 1 . . . . . 21 GLY N . 52475 1
75 . 1 . 1 22 22 GLY H H 1 7.861 0.020 . 1 . . . . . 22 GLY H . 52475 1
76 . 1 . 1 22 22 GLY C C 13 174.153 0.3 . 1 . . . . . 22 GLY C . 52475 1
77 . 1 . 1 22 22 GLY CA C 13 43.756 0.3 . 1 . . . . . 22 GLY CA . 52475 1
78 . 1 . 1 22 22 GLY N N 15 109.172 0.3 . 1 . . . . . 22 GLY N . 52475 1
79 . 1 . 1 23 23 TYR H H 1 7.039 0.020 . 1 . . . . . 23 TYR H . 52475 1
80 . 1 . 1 23 23 TYR C C 13 175.729 0.3 . 1 . . . . . 23 TYR C . 52475 1
81 . 1 . 1 23 23 TYR CA C 13 59.948 0.3 . 1 . . . . . 23 TYR CA . 52475 1
82 . 1 . 1 23 23 TYR CB C 13 37.173 0.3 . 1 . . . . . 23 TYR CB . 52475 1
83 . 1 . 1 23 23 TYR N N 15 119.590 0.3 . 1 . . . . . 23 TYR N . 52475 1
84 . 1 . 1 24 24 GLY H H 1 7.777 0.020 . 1 . . . . . 24 GLY H . 52475 1
85 . 1 . 1 24 24 GLY C C 13 176.772 0.3 . 1 . . . . . 24 GLY C . 52475 1
86 . 1 . 1 24 24 GLY CA C 13 46.597 0.3 . 1 . . . . . 24 GLY CA . 52475 1
87 . 1 . 1 24 24 GLY N N 15 105.384 0.3 . 1 . . . . . 24 GLY N . 52475 1
88 . 1 . 1 25 25 GLY H H 1 8.054 0.020 . 1 . . . . . 25 GLY H . 52475 1
89 . 1 . 1 25 25 GLY C C 13 173.679 0.3 . 1 . . . . . 25 GLY C . 52475 1
90 . 1 . 1 25 25 GLY CA C 13 44.913 0.3 . 1 . . . . . 25 GLY CA . 52475 1
91 . 1 . 1 25 25 GLY N N 15 108.888 0.3 . 1 . . . . . 25 GLY N . 52475 1
92 . 1 . 1 26 26 ALA H H 1 7.974 0.020 . 1 . . . . . 26 ALA H . 52475 1
93 . 1 . 1 26 26 ALA C C 13 175.406 0.3 . 1 . . . . . 26 ALA C . 52475 1
94 . 1 . 1 26 26 ALA CA C 13 51.852 0.3 . 1 . . . . . 26 ALA CA . 52475 1
95 . 1 . 1 26 26 ALA CB C 13 17.956 0.3 . 1 . . . . . 26 ALA CB . 52475 1
96 . 1 . 1 26 26 ALA N N 15 124.086 0.3 . 1 . . . . . 26 ALA N . 52475 1
97 . 1 . 1 29 29 GLY H H 1 7.566 0.020 . 1 . . . . . 29 GLY H . 52475 1
98 . 1 . 1 29 29 GLY C C 13 174.134 0.3 . 1 . . . . . 29 GLY C . 52475 1
99 . 1 . 1 29 29 GLY CA C 13 44.256 0.3 . 1 . . . . . 29 GLY CA . 52475 1
100 . 1 . 1 29 29 GLY N N 15 108.474 0.3 . 1 . . . . . 29 GLY N . 52475 1
101 . 1 . 1 31 31 ALA H H 1 8.086 0.020 . 1 . . . . . 31 ALA H . 52475 1
102 . 1 . 1 31 31 ALA C C 13 176.811 0.3 . 1 . . . . . 31 ALA C . 52475 1
103 . 1 . 1 31 31 ALA CA C 13 51.763 0.3 . 1 . . . . . 31 ALA CA . 52475 1
104 . 1 . 1 31 31 ALA CB C 13 18.401 0.3 . 1 . . . . . 31 ALA CB . 52475 1
105 . 1 . 1 31 31 ALA N N 15 123.941 0.3 . 1 . . . . . 31 ALA N . 52475 1
106 . 1 . 1 32 32 PHE H H 1 7.846 0.020 . 1 . . . . . 32 PHE H . 52475 1
107 . 1 . 1 32 32 PHE C C 13 173.906 0.3 . 1 . . . . . 32 PHE C . 52475 1
108 . 1 . 1 32 32 PHE CA C 13 54.432 0.3 . 1 . . . . . 32 PHE CA . 52475 1
109 . 1 . 1 32 32 PHE CB C 13 38.329 0.3 . 1 . . . . . 32 PHE CB . 52475 1
110 . 1 . 1 32 32 PHE N N 15 119.887 0.3 . 1 . . . . . 32 PHE N . 52475 1
111 . 1 . 1 37 37 GLN H H 1 7.947 0.020 . 1 . . . . . 37 GLN H . 52475 1
112 . 1 . 1 37 37 GLN C C 13 174.172 0.3 . 1 . . . . . 37 GLN C . 52475 1
113 . 1 . 1 37 37 GLN CA C 13 54.877 0.3 . 1 . . . . . 37 GLN CA . 52475 1
114 . 1 . 1 37 37 GLN CB C 13 28.365 0.3 . 1 . . . . . 37 GLN CB . 52475 1
115 . 1 . 1 37 37 GLN N N 15 122.610 0.3 . 1 . . . . . 37 GLN N . 52475 1
116 . 1 . 1 38 38 ASP H H 1 8.019 0.020 . 1 . . . . . 38 ASP H . 52475 1
117 . 1 . 1 38 38 ASP C C 13 175.159 0.3 . 1 . . . . . 38 ASP C . 52475 1
118 . 1 . 1 38 38 ASP CA C 13 51.763 0.3 . 1 . . . . . 38 ASP CA . 52475 1
119 . 1 . 1 38 38 ASP CB C 13 41.888 0.3 . 1 . . . . . 38 ASP CB . 52475 1
120 . 1 . 1 38 38 ASP N N 15 124.363 0.3 . 1 . . . . . 38 ASP N . 52475 1
121 . 1 . 1 40 40 LEU H H 1 8.344 0.020 . 1 . . . . . 40 LEU H . 52475 1
122 . 1 . 1 40 40 LEU C C 13 178.896 0.3 . 1 . . . . . 40 LEU C . 52475 1
123 . 1 . 1 40 40 LEU CA C 13 55.944 0.3 . 1 . . . . . 40 LEU CA . 52475 1
124 . 1 . 1 40 40 LEU CB C 13 40.642 0.3 . 1 . . . . . 40 LEU CB . 52475 1
125 . 1 . 1 40 40 LEU N N 15 117.620 0.3 . 1 . . . . . 40 LEU N . 52475 1
126 . 1 . 1 41 41 TYR H H 1 8.223 0.020 . 1 . . . . . 41 TYR H . 52475 1
127 . 1 . 1 41 41 TYR C C 13 176.409 0.3 . 1 . . . . . 41 TYR C . 52475 1
128 . 1 . 1 41 41 TYR CA C 13 56.567 0.3 . 1 . . . . . 41 TYR CA . 52475 1
129 . 1 . 1 41 41 TYR CB C 13 37.440 0.3 . 1 . . . . . 41 TYR CB . 52475 1
130 . 1 . 1 41 41 TYR N N 15 118.167 0.3 . 1 . . . . . 41 TYR N . 52475 1
131 . 1 . 1 42 42 GLY H H 1 7.531 0.020 . 1 . . . . . 42 GLY H . 52475 1
132 . 1 . 1 42 42 GLY C C 13 176.808 0.3 . 1 . . . . . 42 GLY C . 52475 1
133 . 1 . 1 42 42 GLY CA C 13 46.514 0.3 . 1 . . . . . 42 GLY CA . 52475 1
134 . 1 . 1 42 42 GLY N N 15 107.497 0.3 . 1 . . . . . 42 GLY N . 52475 1
135 . 1 . 1 43 43 TYR H H 1 7.026 0.020 . 1 . . . . . 43 TYR H . 52475 1
136 . 1 . 1 43 43 TYR C C 13 177.280 0.3 . 1 . . . . . 43 TYR C . 52475 1
137 . 1 . 1 43 43 TYR CA C 13 58.346 0.3 . 1 . . . . . 43 TYR CA . 52475 1
138 . 1 . 1 43 43 TYR CB C 13 36.728 0.3 . 1 . . . . . 43 TYR CB . 52475 1
139 . 1 . 1 43 43 TYR N N 15 119.046 0.3 . 1 . . . . . 43 TYR N . 52475 1
140 . 1 . 1 44 44 PHE H H 1 7.291 0.020 . 1 . . . . . 44 PHE H . 52475 1
141 . 1 . 1 44 44 PHE C C 13 176.526 0.3 . 1 . . . . . 44 PHE C . 52475 1
142 . 1 . 1 44 44 PHE CA C 13 60.660 0.3 . 1 . . . . . 44 PHE CA . 52475 1
143 . 1 . 1 44 44 PHE CB C 13 39.664 0.3 . 1 . . . . . 44 PHE CB . 52475 1
144 . 1 . 1 44 44 PHE N N 15 120.145 0.3 . 1 . . . . . 44 PHE N . 52475 1
145 . 1 . 1 45 45 ALA H H 1 8.791 0.020 . 1 . . . . . 45 ALA H . 52475 1
146 . 1 . 1 45 45 ALA C C 13 178.805 0.3 . 1 . . . . . 45 ALA C . 52475 1
147 . 1 . 1 45 45 ALA CA C 13 53.009 0.3 . 1 . . . . . 45 ALA CA . 52475 1
148 . 1 . 1 45 45 ALA CB C 13 16.622 0.3 . 1 . . . . . 45 ALA CB . 52475 1
149 . 1 . 1 45 45 ALA N N 15 120.122 0.3 . 1 . . . . . 45 ALA N . 52475 1
150 . 1 . 1 46 46 ALA H H 1 6.934 0.020 . 1 . . . . . 46 ALA H . 52475 1
151 . 1 . 1 46 46 ALA C C 13 178.533 0.3 . 1 . . . . . 46 ALA C . 52475 1
152 . 1 . 1 46 46 ALA CA C 13 53.542 0.3 . 1 . . . . . 46 ALA CA . 52475 1
153 . 1 . 1 46 46 ALA CB C 13 17.422 0.3 . 1 . . . . . 46 ALA CB . 52475 1
154 . 1 . 1 46 46 ALA N N 15 117.322 0.3 . 1 . . . . . 46 ALA N . 52475 1
155 . 1 . 1 47 47 VAL H H 1 6.819 0.020 . 1 . . . . . 47 VAL H . 52475 1
156 . 1 . 1 47 47 VAL C C 13 175.156 0.3 . 1 . . . . . 47 VAL C . 52475 1
157 . 1 . 1 47 47 VAL CA C 13 60.749 0.3 . 1 . . . . . 47 VAL CA . 52475 1
158 . 1 . 1 47 47 VAL CB C 13 32.547 0.3 . 1 . . . . . 47 VAL CB . 52475 1
159 . 1 . 1 47 47 VAL N N 15 109.320 0.3 . 1 . . . . . 47 VAL N . 52475 1
160 . 1 . 1 48 48 ALA H H 1 7.326 0.020 . 1 . . . . . 48 ALA H . 52475 1
161 . 1 . 1 48 48 ALA C C 13 178.297 0.3 . 1 . . . . . 48 ALA C . 52475 1
162 . 1 . 1 48 48 ALA CA C 13 51.941 0.3 . 1 . . . . . 48 ALA CA . 52475 1
163 . 1 . 1 48 48 ALA CB C 13 19.113 0.3 . 1 . . . . . 48 ALA CB . 52475 1
164 . 1 . 1 48 48 ALA N N 15 122.819 0.3 . 1 . . . . . 48 ALA N . 52475 1
165 . 1 . 1 49 49 GLY H H 1 8.011 0.020 . 1 . . . . . 49 GLY H . 52475 1
166 . 1 . 1 49 49 GLY C C 13 175.425 0.3 . 1 . . . . . 49 GLY C . 52475 1
167 . 1 . 1 49 49 GLY CA C 13 43.756 0.3 . 1 . . . . . 49 GLY CA . 52475 1
168 . 1 . 1 49 49 GLY N N 15 106.929 0.3 . 1 . . . . . 49 GLY N . 52475 1
169 . 1 . 1 50 50 GLN H H 1 8.048 0.020 . 1 . . . . . 50 GLN H . 52475 1
170 . 1 . 1 50 50 GLN C C 13 177.286 0.3 . 1 . . . . . 50 GLN C . 52475 1
171 . 1 . 1 50 50 GLN CA C 13 57.724 0.3 . 1 . . . . . 50 GLN CA . 52475 1
172 . 1 . 1 50 50 GLN CB C 13 27.387 0.3 . 1 . . . . . 50 GLN CB . 52475 1
173 . 1 . 1 50 50 GLN N N 15 121.138 0.3 . 1 . . . . . 50 GLN N . 52475 1
174 . 1 . 1 51 51 ASP H H 1 8.287 0.020 . 1 . . . . . 51 ASP H . 52475 1
175 . 1 . 1 51 51 ASP C C 13 176.536 0.3 . 1 . . . . . 51 ASP C . 52475 1
176 . 1 . 1 51 51 ASP CA C 13 53.631 0.3 . 1 . . . . . 51 ASP CA . 52475 1
177 . 1 . 1 51 51 ASP CB C 13 39.575 0.3 . 1 . . . . . 51 ASP CB . 52475 1
178 . 1 . 1 51 51 ASP N N 15 117.875 0.3 . 1 . . . . . 51 ASP N . 52475 1
179 . 1 . 1 52 52 GLY H H 1 7.956 0.020 . 1 . . . . . 52 GLY H . 52475 1
180 . 1 . 1 52 52 GLY C C 13 172.778 0.3 . 1 . . . . . 52 GLY C . 52475 1
181 . 1 . 1 52 52 GLY CA C 13 45.535 0.3 . 1 . . . . . 52 GLY CA . 52475 1
182 . 1 . 1 52 52 GLY N N 15 107.209 0.3 . 1 . . . . . 52 GLY N . 52475 1
183 . 1 . 1 53 53 GLN H H 1 7.435 0.020 . 1 . . . . . 53 GLN H . 52475 1
184 . 1 . 1 53 53 GLN C C 13 175.634 0.3 . 1 . . . . . 53 GLN C . 52475 1
185 . 1 . 1 53 53 GLN CA C 13 53.009 0.3 . 1 . . . . . 53 GLN CA . 52475 1
186 . 1 . 1 53 53 GLN CB C 13 30.678 0.3 . 1 . . . . . 53 GLN CB . 52475 1
187 . 1 . 1 53 53 GLN N N 15 117.329 0.3 . 1 . . . . . 53 GLN N . 52475 1
188 . 1 . 1 54 54 ILE H H 1 9.059 0.020 . 1 . . . . . 54 ILE H . 52475 1
189 . 1 . 1 54 54 ILE C C 13 174.286 0.3 . 1 . . . . . 54 ILE C . 52475 1
190 . 1 . 1 54 54 ILE CA C 13 58.346 0.3 . 1 . . . . . 54 ILE CA . 52475 1
191 . 1 . 1 54 54 ILE CB C 13 40.642 0.3 . 1 . . . . . 54 ILE CB . 52475 1
192 . 1 . 1 54 54 ILE N N 15 115.549 0.3 . 1 . . . . . 54 ILE N . 52475 1
193 . 1 . 1 55 55 ASP H H 1 8.565 0.020 . 1 . . . . . 55 ASP H . 52475 1
194 . 1 . 1 55 55 ASP C C 13 176.412 0.3 . 1 . . . . . 55 ASP C . 52475 1
195 . 1 . 1 55 55 ASP CA C 13 50.251 0.3 . 1 . . . . . 55 ASP CA . 52475 1
196 . 1 . 1 55 55 ASP CB C 13 40.820 0.3 . 1 . . . . . 55 ASP CB . 52475 1
197 . 1 . 1 55 55 ASP N N 15 121.947 0.3 . 1 . . . . . 55 ASP N . 52475 1
198 . 1 . 1 56 56 ALA H H 1 8.606 0.020 . 1 . . . . . 56 ALA H . 52475 1
199 . 1 . 1 56 56 ALA C C 13 178.188 0.3 . 1 . . . . . 56 ALA C . 52475 1
200 . 1 . 1 56 56 ALA CA C 13 55.411 0.3 . 1 . . . . . 56 ALA CA . 52475 1
201 . 1 . 1 56 56 ALA CB C 13 17.956 0.3 . 1 . . . . . 56 ALA CB . 52475 1
202 . 1 . 1 56 56 ALA N N 15 118.760 0.3 . 1 . . . . . 56 ALA N . 52475 1
203 . 1 . 1 57 57 ASP H H 1 7.659 0.020 . 1 . . . . . 57 ASP H . 52475 1
204 . 1 . 1 57 57 ASP C C 13 178.880 0.3 . 1 . . . . . 57 ASP C . 52475 1
205 . 1 . 1 57 57 ASP CA C 13 57.101 0.3 . 1 . . . . . 57 ASP CA . 52475 1
206 . 1 . 1 57 57 ASP CB C 13 41.265 0.3 . 1 . . . . . 57 ASP CB . 52475 1
207 . 1 . 1 57 57 ASP N N 15 118.462 0.3 . 1 . . . . . 57 ASP N . 52475 1
208 . 1 . 1 58 58 GLU H H 1 8.378 0.020 . 1 . . . . . 58 GLU H . 52475 1
209 . 1 . 1 58 58 GLU C C 13 179.032 0.3 . 1 . . . . . 58 GLU C . 52475 1
210 . 1 . 1 58 58 GLU CA C 13 58.257 0.3 . 1 . . . . . 58 GLU CA . 52475 1
211 . 1 . 1 58 58 GLU CB C 13 27.831 0.3 . 1 . . . . . 58 GLU CB . 52475 1
212 . 1 . 1 58 58 GLU N N 15 121.260 0.3 . 1 . . . . . 58 GLU N . 52475 1
213 . 1 . 1 59 59 LEU H H 1 9.098 0.020 . 1 . . . . . 59 LEU H . 52475 1
214 . 1 . 1 59 59 LEU C C 13 177.741 0.3 . 1 . . . . . 59 LEU C . 52475 1
215 . 1 . 1 59 59 LEU CA C 13 57.724 0.3 . 1 . . . . . 59 LEU CA . 52475 1
216 . 1 . 1 59 59 LEU CB C 13 39.664 0.3 . 1 . . . . . 59 LEU CB . 52475 1
217 . 1 . 1 59 59 LEU N N 15 121.703 0.3 . 1 . . . . . 59 LEU N . 52475 1
218 . 1 . 1 60 60 GLN H H 1 8.355 0.020 . 1 . . . . . 60 GLN H . 52475 1
219 . 1 . 1 60 60 GLN C C 13 180.133 0.3 . 1 . . . . . 60 GLN C . 52475 1
220 . 1 . 1 60 60 GLN CA C 13 59.503 0.3 . 1 . . . . . 60 GLN CA . 52475 1
221 . 1 . 1 60 60 GLN CB C 13 27.298 0.3 . 1 . . . . . 60 GLN CB . 52475 1
222 . 1 . 1 60 60 GLN N N 15 121.423 0.3 . 1 . . . . . 60 GLN N . 52475 1
223 . 1 . 1 61 61 ARG H H 1 7.701 0.020 . 1 . . . . . 61 ARG H . 52475 1
224 . 1 . 1 61 61 ARG C C 13 178.539 0.3 . 1 . . . . . 61 ARG C . 52475 1
225 . 1 . 1 61 61 ARG CA C 13 59.503 0.3 . 1 . . . . . 61 ARG CA . 52475 1
226 . 1 . 1 61 61 ARG CB C 13 29.077 0.3 . 1 . . . . . 61 ARG CB . 52475 1
227 . 1 . 1 61 61 ARG N N 15 121.423 0.3 . 1 . . . . . 61 ARG N . 52475 1
228 . 1 . 1 62 62 CYS H H 1 8.723 0.020 . 1 . . . . . 62 CYS H . 52475 1
229 . 1 . 1 62 62 CYS C C 13 178.007 0.3 . 1 . . . . . 62 CYS C . 52475 1
230 . 1 . 1 62 62 CYS CA C 13 61.460 0.3 . 1 . . . . . 62 CYS CA . 52475 1
231 . 1 . 1 62 62 CYS CB C 13 26.230 0.3 . 1 . . . . . 62 CYS CB . 52475 1
232 . 1 . 1 62 62 CYS N N 15 121.120 0.3 . 1 . . . . . 62 CYS N . 52475 1
233 . 1 . 1 63 63 LEU H H 1 9.387 0.020 . 1 . . . . . 63 LEU H . 52475 1
234 . 1 . 1 63 63 LEU C C 13 181.785 0.3 . 1 . . . . . 63 LEU C . 52475 1
235 . 1 . 1 63 63 LEU CA C 13 57.190 0.3 . 1 . . . . . 63 LEU CA . 52475 1
236 . 1 . 1 63 63 LEU CB C 13 39.575 0.3 . 1 . . . . . 63 LEU CB . 52475 1
237 . 1 . 1 63 63 LEU N N 15 119.216 0.3 . 1 . . . . . 63 LEU N . 52475 1
238 . 1 . 1 64 64 THR H H 1 8.245 0.020 . 1 . . . . . 64 THR H . 52475 1
239 . 1 . 1 64 64 THR C C 13 175.156 0.3 . 1 . . . . . 64 THR C . 52475 1
240 . 1 . 1 64 64 THR CA C 13 65.197 0.3 . 1 . . . . . 64 THR CA . 52475 1
241 . 1 . 1 64 64 THR CB C 13 68.222 0.3 . 1 . . . . . 64 THR CB . 52475 1
242 . 1 . 1 64 64 THR N N 15 120.281 0.3 . 1 . . . . . 64 THR N . 52475 1
243 . 1 . 1 65 65 GLN H H 1 8.032 0.020 . 1 . . . . . 65 GLN H . 52475 1
244 . 1 . 1 65 65 GLN C C 13 177.286 0.3 . 1 . . . . . 65 GLN C . 52475 1
245 . 1 . 1 65 65 GLN CA C 13 57.724 0.3 . 1 . . . . . 65 GLN CA . 52475 1
246 . 1 . 1 65 65 GLN CB C 13 27.298 0.3 . 1 . . . . . 65 GLN CB . 52475 1
247 . 1 . 1 65 65 GLN N N 15 121.803 0.3 . 1 . . . . . 65 GLN N . 52475 1
248 . 1 . 1 66 66 SER H H 1 7.928 0.020 . 1 . . . . . 66 SER H . 52475 1
249 . 1 . 1 66 66 SER C C 13 175.029 0.3 . 1 . . . . . 66 SER C . 52475 1
250 . 1 . 1 66 66 SER CA C 13 59.414 0.3 . 1 . . . . . 66 SER CA . 52475 1
251 . 1 . 1 66 66 SER CB C 13 63.506 0.3 . 1 . . . . . 66 SER CB . 52475 1
252 . 1 . 1 66 66 SER N N 15 112.626 0.3 . 1 . . . . . 66 SER N . 52475 1
253 . 1 . 1 67 67 GLY H H 1 7.285 0.020 . 1 . . . . . 67 GLY H . 52475 1
254 . 1 . 1 67 67 GLY C C 13 176.373 0.3 . 1 . . . . . 67 GLY C . 52475 1
255 . 1 . 1 67 67 GLY CA C 13 45.535 0.3 . 1 . . . . . 67 GLY CA . 52475 1
256 . 1 . 1 67 67 GLY N N 15 107.633 0.3 . 1 . . . . . 67 GLY N . 52475 1
257 . 1 . 1 68 68 ILE H H 1 7.449 0.020 . 1 . . . . . 68 ILE H . 52475 1
258 . 1 . 1 68 68 ILE C C 13 174.381 0.3 . 1 . . . . . 68 ILE C . 52475 1
259 . 1 . 1 68 68 ILE CA C 13 61.282 0.3 . 1 . . . . . 68 ILE CA . 52475 1
260 . 1 . 1 68 68 ILE CB C 13 36.016 0.3 . 1 . . . . . 68 ILE CB . 52475 1
261 . 1 . 1 68 68 ILE N N 15 121.838 0.3 . 1 . . . . . 68 ILE N . 52475 1
262 . 1 . 1 69 69 ALA H H 1 8.318 0.020 . 1 . . . . . 69 ALA H . 52475 1
263 . 1 . 1 69 69 ALA C C 13 178.769 0.3 . 1 . . . . . 69 ALA C . 52475 1
264 . 1 . 1 69 69 ALA CA C 13 51.941 0.3 . 1 . . . . . 69 ALA CA . 52475 1
265 . 1 . 1 69 69 ALA CB C 13 17.422 0.3 . 1 . . . . . 69 ALA CB . 52475 1
266 . 1 . 1 69 69 ALA N N 15 122.824 0.3 . 1 . . . . . 69 ALA N . 52475 1
267 . 1 . 1 70 70 GLY H H 1 7.675 0.020 . 1 . . . . . 70 GLY H . 52475 1
268 . 1 . 1 70 70 GLY C C 13 174.666 0.3 . 1 . . . . . 70 GLY C . 52475 1
269 . 1 . 1 70 70 GLY CA C 13 46.014 0.3 . 1 . . . . . 70 GLY CA . 52475 1
270 . 1 . 1 70 70 GLY N N 15 106.225 0.3 . 1 . . . . . 70 GLY N . 52475 1
271 . 1 . 1 71 71 GLY H H 1 8.627 0.020 . 1 . . . . . 71 GLY H . 52475 1
272 . 1 . 1 71 71 GLY C C 13 174.393 0.3 . 1 . . . . . 71 GLY C . 52475 1
273 . 1 . 1 71 71 GLY CA C 13 44.379 0.3 . 1 . . . . . 71 GLY CA . 52475 1
274 . 1 . 1 71 71 GLY N N 15 110.350 0.3 . 1 . . . . . 71 GLY N . 52475 1
275 . 1 . 1 72 72 TYR H H 1 7.162 0.020 . 1 . . . . . 72 TYR H . 52475 1
276 . 1 . 1 72 72 TYR C C 13 174.552 0.3 . 1 . . . . . 72 TYR C . 52475 1
277 . 1 . 1 72 72 TYR CA C 13 54.165 0.3 . 1 . . . . . 72 TYR CA . 52475 1
278 . 1 . 1 72 72 TYR CB C 13 37.262 0.3 . 1 . . . . . 72 TYR CB . 52475 1
279 . 1 . 1 72 72 TYR N N 15 120.585 0.3 . 1 . . . . . 72 TYR N . 52475 1
280 . 1 . 1 73 73 LYS H H 1 8.223 0.020 . 1 . . . . . 73 LYS H . 52475 1
281 . 1 . 1 73 73 LYS C C 13 174.020 0.3 . 1 . . . . . 73 LYS C . 52475 1
282 . 1 . 1 73 73 LYS CA C 13 54.165 0.3 . 1 . . . . . 73 LYS CA . 52475 1
283 . 1 . 1 73 73 LYS CB C 13 30.856 0.3 . 1 . . . . . 73 LYS CB . 52475 1
284 . 1 . 1 73 73 LYS N N 15 121.423 0.3 . 1 . . . . . 73 LYS N . 52475 1
285 . 1 . 1 75 75 PHE H H 1 7.689 0.020 . 1 . . . . . 75 PHE H . 52475 1
286 . 1 . 1 75 75 PHE C C 13 177.077 0.3 . 1 . . . . . 75 PHE C . 52475 1
287 . 1 . 1 75 75 PHE CA C 13 57.190 0.3 . 1 . . . . . 75 PHE CA . 52475 1
288 . 1 . 1 75 75 PHE CB C 13 39.397 0.3 . 1 . . . . . 75 PHE CB . 52475 1
289 . 1 . 1 75 75 PHE N N 15 118.737 0.3 . 1 . . . . . 75 PHE N . 52475 1
290 . 1 . 1 76 76 ASN H H 1 8.908 0.020 . 1 . . . . . 76 ASN H . 52475 1
291 . 1 . 1 76 76 ASN C C 13 176.185 0.3 . 1 . . . . . 76 ASN C . 52475 1
292 . 1 . 1 76 76 ASN CA C 13 51.941 0.3 . 1 . . . . . 76 ASN CA . 52475 1
293 . 1 . 1 76 76 ASN CB C 13 38.952 0.3 . 1 . . . . . 76 ASN CB . 52475 1
294 . 1 . 1 76 76 ASN N N 15 121.241 0.3 . 1 . . . . . 76 ASN N . 52475 1
295 . 1 . 1 77 77 LEU H H 1 8.641 0.020 . 1 . . . . . 77 LEU H . 52475 1
296 . 1 . 1 77 77 LEU C C 13 178.747 0.3 . 1 . . . . . 77 LEU C . 52475 1
297 . 1 . 1 77 77 LEU CA C 13 57.724 0.3 . 1 . . . . . 77 LEU CA . 52475 1
298 . 1 . 1 77 77 LEU CB C 13 40.553 0.3 . 1 . . . . . 77 LEU CB . 52475 1
299 . 1 . 1 77 77 LEU N N 15 123.941 0.3 . 1 . . . . . 77 LEU N . 52475 1
300 . 1 . 1 78 78 GLU H H 1 8.798 0.020 . 1 . . . . . 78 GLU H . 52475 1
301 . 1 . 1 78 78 GLU C C 13 177.662 0.3 . 1 . . . . . 78 GLU C . 52475 1
302 . 1 . 1 78 78 GLU CA C 13 58.702 0.3 . 1 . . . . . 78 GLU CA . 52475 1
303 . 1 . 1 78 78 GLU CB C 13 27.298 0.3 . 1 . . . . . 78 GLU CB . 52475 1
304 . 1 . 1 78 78 GLU N N 15 119.149 0.3 . 1 . . . . . 78 GLU N . 52475 1
305 . 1 . 1 79 79 THR H H 1 7.113 0.020 . 1 . . . . . 79 THR H . 52475 1
306 . 1 . 1 79 79 THR C C 13 177.665 0.3 . 1 . . . . . 79 THR C . 52475 1
307 . 1 . 1 79 79 THR CA C 13 65.286 0.3 . 1 . . . . . 79 THR CA . 52475 1
308 . 1 . 1 79 79 THR CB C 13 66.620 0.3 . 1 . . . . . 79 THR CB . 52475 1
309 . 1 . 1 79 79 THR N N 15 115.929 0.3 . 1 . . . . . 79 THR N . 52475 1
310 . 1 . 1 80 80 CYS H H 1 7.506 0.020 . 1 . . . . . 80 CYS H . 52475 1
311 . 1 . 1 80 80 CYS C C 13 176.640 0.3 . 1 . . . . . 80 CYS C . 52475 1
312 . 1 . 1 80 80 CYS CA C 13 57.190 0.3 . 1 . . . . . 80 CYS CA . 52475 1
313 . 1 . 1 80 80 CYS CB C 13 27.387 0.3 . 1 . . . . . 80 CYS CB . 52475 1
314 . 1 . 1 80 80 CYS N N 15 120.011 0.3 . 1 . . . . . 80 CYS N . 52475 1
315 . 1 . 1 81 81 ARG H H 1 8.640 0.020 . 1 . . . . . 81 ARG H . 52475 1
316 . 1 . 1 81 81 ARG C C 13 179.042 0.3 . 1 . . . . . 81 ARG C . 52475 1
317 . 1 . 1 81 81 ARG CA C 13 59.681 0.3 . 1 . . . . . 81 ARG CA . 52475 1
318 . 1 . 1 81 81 ARG CB C 13 28.454 0.3 . 1 . . . . . 81 ARG CB . 52475 1
319 . 1 . 1 81 81 ARG N N 15 122.384 0.3 . 1 . . . . . 81 ARG N . 52475 1
320 . 1 . 1 82 82 LEU H H 1 7.631 0.020 . 1 . . . . . 82 LEU H . 52475 1
321 . 1 . 1 82 82 LEU C C 13 178.134 0.3 . 1 . . . . . 82 LEU C . 52475 1
322 . 1 . 1 82 82 LEU CA C 13 57.190 0.3 . 1 . . . . . 82 LEU CA . 52475 1
323 . 1 . 1 82 82 LEU CB C 13 40.731 0.3 . 1 . . . . . 82 LEU CB . 52475 1
324 . 1 . 1 82 82 LEU N N 15 120.276 0.3 . 1 . . . . . 82 LEU N . 52475 1
325 . 1 . 1 83 83 MET H H 1 7.367 0.020 . 1 . . . . . 83 MET H . 52475 1
326 . 1 . 1 83 83 MET C C 13 177.081 0.3 . 1 . . . . . 83 MET C . 52475 1
327 . 1 . 1 83 83 MET CA C 13 59.419 0.3 . 1 . . . . . 83 MET CA . 52475 1
328 . 1 . 1 83 83 MET CB C 13 31.390 0.3 . 1 . . . . . 83 MET CB . 52475 1
329 . 1 . 1 83 83 MET N N 15 118.040 0.3 . 1 . . . . . 83 MET N . 52475 1
330 . 1 . 1 84 84 VAL H H 1 7.449 0.020 . 1 . . . . . 84 VAL H . 52475 1
331 . 1 . 1 84 84 VAL C C 13 178.533 0.3 . 1 . . . . . 84 VAL C . 52475 1
332 . 1 . 1 84 84 VAL CA C 13 66.442 0.3 . 1 . . . . . 84 VAL CA . 52475 1
333 . 1 . 1 84 84 VAL CB C 13 30.144 0.3 . 1 . . . . . 84 VAL CB . 52475 1
334 . 1 . 1 84 84 VAL N N 15 116.347 0.3 . 1 . . . . . 84 VAL N . 52475 1
335 . 1 . 1 85 85 SER H H 1 7.998 0.020 . 1 . . . . . 85 SER H . 52475 1
336 . 1 . 1 85 85 SER C C 13 176.317 0.3 . 1 . . . . . 85 SER C . 52475 1
337 . 1 . 1 85 85 SER CA C 13 60.660 0.3 . 1 . . . . . 85 SER CA . 52475 1
338 . 1 . 1 85 85 SER CB C 13 62.350 0.3 . 1 . . . . . 85 SER CB . 52475 1
339 . 1 . 1 85 85 SER N N 15 115.368 0.3 . 1 . . . . . 85 SER N . 52475 1
340 . 1 . 1 86 86 MET H H 1 8.086 0.020 . 1 . . . . . 86 MET H . 52475 1
341 . 1 . 1 86 86 MET C C 13 176.427 0.3 . 1 . . . . . 86 MET C . 52475 1
342 . 1 . 1 86 86 MET CA C 13 57.724 0.3 . 1 . . . . . 86 MET CA . 52475 1
343 . 1 . 1 86 86 MET CB C 13 31.479 0.3 . 1 . . . . . 86 MET CB . 52475 1
344 . 1 . 1 86 86 MET N N 15 119.593 0.3 . 1 . . . . . 86 MET N . 52475 1
345 . 1 . 1 87 87 LEU H H 1 6.997 0.020 . 1 . . . . . 87 LEU H . 52475 1
346 . 1 . 1 87 87 LEU C C 13 175.900 0.3 . 1 . . . . . 87 LEU C . 52475 1
347 . 1 . 1 87 87 LEU CA C 13 53.631 0.3 . 1 . . . . . 87 LEU CA . 52475 1
348 . 1 . 1 87 87 LEU CB C 13 41.799 0.3 . 1 . . . . . 87 LEU CB . 52475 1
349 . 1 . 1 87 87 LEU N N 15 117.196 0.3 . 1 . . . . . 87 LEU N . 52475 1
350 . 1 . 1 88 88 ASP H H 1 7.593 0.020 . 1 . . . . . 88 ASP H . 52475 1
351 . 1 . 1 88 88 ASP C C 13 177.190 0.3 . 1 . . . . . 88 ASP C . 52475 1
352 . 1 . 1 88 88 ASP CA C 13 53.631 0.3 . 1 . . . . . 88 ASP CA . 52475 1
353 . 1 . 1 88 88 ASP CB C 13 39.575 0.3 . 1 . . . . . 88 ASP CB . 52475 1
354 . 1 . 1 88 88 ASP N N 15 121.681 0.3 . 1 . . . . . 88 ASP N . 52475 1
355 . 1 . 1 89 89 ARG H H 1 8.517 0.020 . 1 . . . . . 89 ARG H . 52475 1
356 . 1 . 1 89 89 ARG C C 13 177.077 0.3 . 1 . . . . . 89 ARG C . 52475 1
357 . 1 . 1 89 89 ARG CA C 13 56.656 0.3 . 1 . . . . . 89 ARG CA . 52475 1
358 . 1 . 1 89 89 ARG CB C 13 29.611 0.3 . 1 . . . . . 89 ARG CB . 52475 1
359 . 1 . 1 89 89 ARG N N 15 126.031 0.3 . 1 . . . . . 89 ARG N . 52475 1
360 . 1 . 1 90 90 ASP H H 1 8.380 0.020 . 1 . . . . . 90 ASP H . 52475 1
361 . 1 . 1 90 90 ASP C C 13 175.292 0.3 . 1 . . . . . 90 ASP C . 52475 1
362 . 1 . 1 90 90 ASP CA C 13 53.009 0.3 . 1 . . . . . 90 ASP CA . 52475 1
363 . 1 . 1 90 90 ASP CB C 13 40.020 0.3 . 1 . . . . . 90 ASP CB . 52475 1
364 . 1 . 1 90 90 ASP N N 15 118.049 0.3 . 1 . . . . . 90 ASP N . 52475 1
365 . 1 . 1 91 91 MET H H 1 7.949 0.020 . 1 . . . . . 91 MET H . 52475 1
366 . 1 . 1 91 91 MET C C 13 175.653 0.3 . 1 . . . . . 91 MET C . 52475 1
367 . 1 . 1 91 91 MET CA C 13 55.855 0.3 . 1 . . . . . 91 MET CA . 52475 1
368 . 1 . 1 91 91 MET CB C 13 28.365 0.3 . 1 . . . . . 91 MET CB . 52475 1
369 . 1 . 1 91 91 MET N N 15 118.471 0.3 . 1 . . . . . 91 MET N . 52475 1
370 . 1 . 1 92 92 SER H H 1 9.536 0.020 . 1 . . . . . 92 SER H . 52475 1
371 . 1 . 1 92 92 SER C C 13 176.906 0.3 . 1 . . . . . 92 SER C . 52475 1
372 . 1 . 1 92 92 SER CA C 13 59.503 0.3 . 1 . . . . . 92 SER CA . 52475 1
373 . 1 . 1 92 92 SER CB C 13 64.663 0.3 . 1 . . . . . 92 SER CB . 52475 1
374 . 1 . 1 92 92 SER N N 15 117.756 0.3 . 1 . . . . . 92 SER N . 52475 1
375 . 1 . 1 94 94 THR H H 1 7.586 0.020 . 1 . . . . . 94 THR H . 52475 1
376 . 1 . 1 94 94 THR C C 13 172.179 0.3 . 1 . . . . . 94 THR C . 52475 1
377 . 1 . 1 94 94 THR CA C 13 58.892 0.3 . 1 . . . . . 94 THR CA . 52475 1
378 . 1 . 1 94 94 THR CB C 13 72.378 0.3 . 1 . . . . . 94 THR CB . 52475 1
379 . 1 . 1 94 94 THR N N 15 110.863 0.3 . 1 . . . . . 94 THR N . 52475 1
380 . 1 . 1 95 95 MET H H 1 9.080 0.020 . 1 . . . . . 95 MET H . 52475 1
381 . 1 . 1 95 95 MET C C 13 174.412 0.3 . 1 . . . . . 95 MET C . 52475 1
382 . 1 . 1 95 95 MET CA C 13 54.076 0.3 . 1 . . . . . 95 MET CA . 52475 1
383 . 1 . 1 95 95 MET CB C 13 36.639 0.3 . 1 . . . . . 95 MET CB . 52475 1
384 . 1 . 1 95 95 MET N N 15 117.447 0.3 . 1 . . . . . 95 MET N . 52475 1
385 . 1 . 1 96 96 GLY H H 1 8.066 0.020 . 1 . . . . . 96 GLY H . 52475 1
386 . 1 . 1 96 96 GLY C C 13 174.533 0.3 . 1 . . . . . 96 GLY C . 52475 1
387 . 1 . 1 96 96 GLY CA C 13 43.044 0.3 . 1 . . . . . 96 GLY CA . 52475 1
388 . 1 . 1 96 96 GLY N N 15 110.305 0.3 . 1 . . . . . 96 GLY N . 52475 1
389 . 1 . 1 97 97 PHE H H 1 8.948 0.020 . 1 . . . . . 97 PHE H . 52475 1
390 . 1 . 1 97 97 PHE C C 13 176.925 0.3 . 1 . . . . . 97 PHE C . 52475 1
391 . 1 . 1 97 97 PHE CA C 13 59.948 0.3 . 1 . . . . . 97 PHE CA . 52475 1
392 . 1 . 1 97 97 PHE CB C 13 37.351 0.3 . 1 . . . . . 97 PHE CB . 52475 1
393 . 1 . 1 97 97 PHE N N 15 121.533 0.3 . 1 . . . . . 97 PHE N . 52475 1
394 . 1 . 1 98 98 ASN H H 1 8.702 0.020 . 1 . . . . . 98 ASN H . 52475 1
395 . 1 . 1 98 98 ASN C C 13 178.406 0.3 . 1 . . . . . 98 ASN C . 52475 1
396 . 1 . 1 98 98 ASN CA C 13 55.855 0.3 . 1 . . . . . 98 ASN CA . 52475 1
397 . 1 . 1 98 98 ASN CB C 13 36.639 0.3 . 1 . . . . . 98 ASN CB . 52475 1
398 . 1 . 1 98 98 ASN N N 15 116.474 0.3 . 1 . . . . . 98 ASN N . 52475 1
399 . 1 . 1 99 99 GLU H H 1 7.665 0.020 . 1 . . . . . 99 GLU H . 52475 1
400 . 1 . 1 99 99 GLU C C 13 177.039 0.3 . 1 . . . . . 99 GLU C . 52475 1
401 . 1 . 1 99 99 GLU CA C 13 60.393 0.3 . 1 . . . . . 99 GLU CA . 52475 1
402 . 1 . 1 99 99 GLU CB C 13 28.365 0.3 . 1 . . . . . 99 GLU CB . 52475 1
403 . 1 . 1 99 99 GLU N N 15 119.702 0.3 . 1 . . . . . 99 GLU N . 52475 1
404 . 1 . 1 100 100 PHE H H 1 8.250 0.020 . 1 . . . . . 100 PHE H . 52475 1
405 . 1 . 1 100 100 PHE C C 13 176.185 0.3 . 1 . . . . . 100 PHE C . 52475 1
406 . 1 . 1 100 100 PHE CA C 13 60.660 0.3 . 1 . . . . . 100 PHE CA . 52475 1
407 . 1 . 1 100 100 PHE CB C 13 38.596 0.3 . 1 . . . . . 100 PHE CB . 52475 1
408 . 1 . 1 100 100 PHE N N 15 122.539 0.3 . 1 . . . . . 100 PHE N . 52475 1
409 . 1 . 1 101 101 LYS H H 1 8.035 0.020 . 1 . . . . . 101 LYS H . 52475 1
410 . 1 . 1 101 101 LYS C C 13 179.278 0.3 . 1 . . . . . 101 LYS C . 52475 1
411 . 1 . 1 101 101 LYS CA C 13 59.503 0.3 . 1 . . . . . 101 LYS CA . 52475 1
412 . 1 . 1 101 101 LYS CB C 13 30.322 0.3 . 1 . . . . . 101 LYS CB . 52475 1
413 . 1 . 1 101 101 LYS N N 15 118.714 0.3 . 1 . . . . . 101 LYS N . 52475 1
414 . 1 . 1 102 102 GLU H H 1 7.105 0.020 . 1 . . . . . 102 GLU H . 52475 1
415 . 1 . 1 102 102 GLU C C 13 178.387 0.3 . 1 . . . . . 102 GLU C . 52475 1
416 . 1 . 1 102 102 GLU CA C 13 58.524 0.3 . 1 . . . . . 102 GLU CA . 52475 1
417 . 1 . 1 102 102 GLU CB C 13 27.920 0.3 . 1 . . . . . 102 GLU CB . 52475 1
418 . 1 . 1 102 102 GLU N N 15 121.265 0.3 . 1 . . . . . 102 GLU N . 52475 1
419 . 1 . 1 103 103 LEU H H 1 8.391 0.020 . 1 . . . . . 103 LEU H . 52475 1
420 . 1 . 1 103 103 LEU C C 13 177.267 0.3 . 1 . . . . . 103 LEU C . 52475 1
421 . 1 . 1 103 103 LEU CA C 13 56.033 0.3 . 1 . . . . . 103 LEU CA . 52475 1
422 . 1 . 1 103 103 LEU CB C 13 39.575 0.3 . 1 . . . . . 103 LEU CB . 52475 1
423 . 1 . 1 103 103 LEU N N 15 120.852 0.3 . 1 . . . . . 103 LEU N . 52475 1
424 . 1 . 1 104 104 TRP H H 1 8.564 0.020 . 1 . . . . . 104 TRP H . 52475 1
425 . 1 . 1 104 104 TRP C C 13 178.292 0.3 . 1 . . . . . 104 TRP C . 52475 1
426 . 1 . 1 104 104 TRP CA C 13 60.749 0.3 . 1 . . . . . 104 TRP CA . 52475 1
427 . 1 . 1 104 104 TRP CB C 13 27.920 0.3 . 1 . . . . . 104 TRP CB . 52475 1
428 . 1 . 1 104 104 TRP N N 15 119.588 0.3 . 1 . . . . . 104 TRP N . 52475 1
429 . 1 . 1 105 105 ALA H H 1 7.215 0.020 . 1 . . . . . 105 ALA H . 52475 1
430 . 1 . 1 105 105 ALA C C 13 181.159 0.3 . 1 . . . . . 105 ALA C . 52475 1
431 . 1 . 1 105 105 ALA CA C 13 54.254 0.3 . 1 . . . . . 105 ALA CA . 52475 1
432 . 1 . 1 105 105 ALA CB C 13 17.156 0.3 . 1 . . . . . 105 ALA CB . 52475 1
433 . 1 . 1 105 105 ALA N N 15 119.608 0.3 . 1 . . . . . 105 ALA N . 52475 1
434 . 1 . 1 106 106 VAL H H 1 7.717 0.020 . 1 . . . . . 106 VAL H . 52475 1
435 . 1 . 1 106 106 VAL C C 13 178.026 0.3 . 1 . . . . . 106 VAL C . 52475 1
436 . 1 . 1 106 106 VAL CA C 13 64.663 0.3 . 1 . . . . . 106 VAL CA . 52475 1
437 . 1 . 1 106 106 VAL CB C 13 29.611 0.3 . 1 . . . . . 106 VAL CB . 52475 1
438 . 1 . 1 106 106 VAL N N 15 120.143 0.3 . 1 . . . . . 106 VAL N . 52475 1
439 . 1 . 1 107 107 LEU H H 1 8.594 0.020 . 1 . . . . . 107 LEU H . 52475 1
440 . 1 . 1 107 107 LEU C C 13 179.423 0.3 . 1 . . . . . 107 LEU C . 52475 1
441 . 1 . 1 107 107 LEU CA C 13 56.656 0.3 . 1 . . . . . 107 LEU CA . 52475 1
442 . 1 . 1 107 107 LEU CB C 13 41.265 0.3 . 1 . . . . . 107 LEU CB . 52475 1
443 . 1 . 1 107 107 LEU N N 15 119.299 0.3 . 1 . . . . . 107 LEU N . 52475 1
444 . 1 . 1 108 108 ASN H H 1 7.849 0.020 . 1 . . . . . 108 ASN H . 52475 1
445 . 1 . 1 108 108 ASN C C 13 177.789 0.3 . 1 . . . . . 108 ASN C . 52475 1
446 . 1 . 1 108 108 ASN CA C 13 56.478 0.3 . 1 . . . . . 108 ASN CA . 52475 1
447 . 1 . 1 108 108 ASN CB C 13 37.796 0.3 . 1 . . . . . 108 ASN CB . 52475 1
448 . 1 . 1 108 108 ASN N N 15 117.203 0.3 . 1 . . . . . 108 ASN N . 52475 1
449 . 1 . 1 109 109 GLY H H 1 7.537 0.020 . 1 . . . . . 109 GLY H . 52475 1
450 . 1 . 1 109 109 GLY C C 13 176.785 0.3 . 1 . . . . . 109 GLY C . 52475 1
451 . 1 . 1 109 109 GLY CA C 13 46.514 0.3 . 1 . . . . . 109 GLY CA . 52475 1
452 . 1 . 1 109 109 GLY N N 15 107.633 0.3 . 1 . . . . . 109 GLY N . 52475 1
453 . 1 . 1 110 110 TRP H H 1 8.343 0.020 . 1 . . . . . 110 TRP H . 52475 1
454 . 1 . 1 110 110 TRP C C 13 180.419 0.3 . 1 . . . . . 110 TRP C . 52475 1
455 . 1 . 1 110 110 TRP CA C 13 57.724 0.3 . 1 . . . . . 110 TRP CA . 52475 1
456 . 1 . 1 110 110 TRP CB C 13 28.098 0.3 . 1 . . . . . 110 TRP CB . 52475 1
457 . 1 . 1 110 110 TRP N N 15 123.537 0.3 . 1 . . . . . 110 TRP N . 52475 1
458 . 1 . 1 111 111 ARG H H 1 9.186 0.020 . 1 . . . . . 111 ARG H . 52475 1
459 . 1 . 1 111 111 ARG C C 13 177.039 0.3 . 1 . . . . . 111 ARG C . 52475 1
460 . 1 . 1 111 111 ARG CA C 13 59.770 0.3 . 1 . . . . . 111 ARG CA . 52475 1
461 . 1 . 1 111 111 ARG CB C 13 28.454 0.3 . 1 . . . . . 111 ARG CB . 52475 1
462 . 1 . 1 111 111 ARG N N 15 122.912 0.3 . 1 . . . . . 111 ARG N . 52475 1
463 . 1 . 1 112 112 GLN H H 1 7.833 0.020 . 1 . . . . . 112 GLN H . 52475 1
464 . 1 . 1 112 112 GLN C C 13 178.660 0.3 . 1 . . . . . 112 GLN C . 52475 1
465 . 1 . 1 112 112 GLN CA C 13 57.813 0.3 . 1 . . . . . 112 GLN CA . 52475 1
466 . 1 . 1 112 112 GLN CB C 13 27.653 0.3 . 1 . . . . . 112 GLN CB . 52475 1
467 . 1 . 1 112 112 GLN N N 15 118.043 0.3 . 1 . . . . . 112 GLN N . 52475 1
468 . 1 . 1 113 113 HIS H H 1 7.617 0.020 . 1 . . . . . 113 HIS H . 52475 1
469 . 1 . 1 113 113 HIS C C 13 177.551 0.3 . 1 . . . . . 113 HIS C . 52475 1
470 . 1 . 1 113 113 HIS CA C 13 58.791 0.3 . 1 . . . . . 113 HIS CA . 52475 1
471 . 1 . 1 113 113 HIS CB C 13 30.144 0.3 . 1 . . . . . 113 HIS CB . 52475 1
472 . 1 . 1 113 113 HIS N N 15 118.182 0.3 . 1 . . . . . 113 HIS N . 52475 1
473 . 1 . 1 114 114 PHE H H 1 8.078 0.020 . 1 . . . . . 114 PHE H . 52475 1
474 . 1 . 1 114 114 PHE C C 13 177.760 0.3 . 1 . . . . . 114 PHE C . 52475 1
475 . 1 . 1 114 114 PHE CA C 13 61.816 0.3 . 1 . . . . . 114 PHE CA . 52475 1
476 . 1 . 1 114 114 PHE CB C 13 38.952 0.3 . 1 . . . . . 114 PHE CB . 52475 1
477 . 1 . 1 114 114 PHE N N 15 121.519 0.3 . 1 . . . . . 114 PHE N . 52475 1
478 . 1 . 1 115 115 ILE H H 1 8.511 0.020 . 1 . . . . . 115 ILE H . 52475 1
479 . 1 . 1 115 115 ILE C C 13 177.535 0.3 . 1 . . . . . 115 ILE C . 52475 1
480 . 1 . 1 115 115 ILE CA C 13 64.129 0.3 . 1 . . . . . 115 ILE CA . 52475 1
481 . 1 . 1 115 115 ILE CB C 13 36.639 0.3 . 1 . . . . . 115 ILE CB . 52475 1
482 . 1 . 1 115 115 ILE N N 15 116.220 0.3 . 1 . . . . . 115 ILE N . 52475 1
483 . 1 . 1 116 116 SER H H 1 7.305 0.020 . 1 . . . . . 116 SER H . 52475 1
484 . 1 . 1 116 116 SER C C 13 177.513 0.3 . 1 . . . . . 116 SER C . 52475 1
485 . 1 . 1 116 116 SER CA C 13 60.571 0.3 . 1 . . . . . 116 SER CA . 52475 1
486 . 1 . 1 116 116 SER CB C 13 61.905 0.3 . 1 . . . . . 116 SER CB . 52475 1
487 . 1 . 1 116 116 SER N N 15 115.643 0.3 . 1 . . . . . 116 SER N . 52475 1
488 . 1 . 1 117 117 PHE H H 1 7.126 0.020 . 1 . . . . . 117 PHE H . 52475 1
489 . 1 . 1 117 117 PHE C C 13 175.919 0.3 . 1 . . . . . 117 PHE C . 52475 1
490 . 1 . 1 117 117 PHE CA C 13 58.257 0.3 . 1 . . . . . 117 PHE CA . 52475 1
491 . 1 . 1 117 117 PHE CB C 13 39.041 0.3 . 1 . . . . . 117 PHE CB . 52475 1
492 . 1 . 1 117 117 PHE N N 15 118.607 0.3 . 1 . . . . . 117 PHE N . 52475 1
493 . 1 . 1 118 118 ASP H H 1 7.798 0.020 . 1 . . . . . 118 ASP H . 52475 1
494 . 1 . 1 118 118 ASP C C 13 178.007 0.3 . 1 . . . . . 118 ASP C . 52475 1
495 . 1 . 1 118 118 ASP CA C 13 51.763 0.3 . 1 . . . . . 118 ASP CA . 52475 1
496 . 1 . 1 118 118 ASP CB C 13 38.863 0.3 . 1 . . . . . 118 ASP CB . 52475 1
497 . 1 . 1 118 118 ASP N N 15 122.549 0.3 . 1 . . . . . 118 ASP N . 52475 1
498 . 1 . 1 119 119 THR H H 1 7.963 0.020 . 1 . . . . . 119 THR H . 52475 1
499 . 1 . 1 119 119 THR C C 13 175.881 0.3 . 1 . . . . . 119 THR C . 52475 1
500 . 1 . 1 119 119 THR CA C 13 64.663 0.3 . 1 . . . . . 119 THR CA . 52475 1
501 . 1 . 1 119 119 THR CB C 13 68.044 0.3 . 1 . . . . . 119 THR CB . 52475 1
502 . 1 . 1 119 119 THR N N 15 117.063 0.3 . 1 . . . . . 119 THR N . 52475 1
503 . 1 . 1 120 120 ASP H H 1 8.469 0.020 . 1 . . . . . 120 ASP H . 52475 1
504 . 1 . 1 120 120 ASP C C 13 175.387 0.3 . 1 . . . . . 120 ASP C . 52475 1
505 . 1 . 1 120 120 ASP CA C 13 52.920 0.3 . 1 . . . . . 120 ASP CA . 52475 1
506 . 1 . 1 120 120 ASP CB C 13 39.041 0.3 . 1 . . . . . 120 ASP CB . 52475 1
507 . 1 . 1 120 120 ASP N N 15 119.427 0.3 . 1 . . . . . 120 ASP N . 52475 1
508 . 1 . 1 121 121 ARG H H 1 7.937 0.020 . 1 . . . . . 121 ARG H . 52475 1
509 . 1 . 1 121 121 ARG C C 13 176.279 0.3 . 1 . . . . . 121 ARG C . 52475 1
510 . 1 . 1 121 121 ARG CA C 13 55.855 0.3 . 1 . . . . . 121 ARG CA . 52475 1
511 . 1 . 1 121 121 ARG CB C 13 25.518 0.3 . 1 . . . . . 121 ARG CB . 52475 1
512 . 1 . 1 121 121 ARG N N 15 118.048 0.3 . 1 . . . . . 121 ARG N . 52475 1
513 . 1 . 1 122 122 SER H H 1 9.870 0.020 . 1 . . . . . 122 SER H . 52475 1
514 . 1 . 1 122 122 SER C C 13 175.786 0.3 . 1 . . . . . 122 SER C . 52475 1
515 . 1 . 1 122 122 SER CA C 13 58.969 0.3 . 1 . . . . . 122 SER CA . 52475 1
516 . 1 . 1 122 122 SER CB C 13 64.752 0.3 . 1 . . . . . 122 SER CB . 52475 1
517 . 1 . 1 122 122 SER N N 15 118.449 0.3 . 1 . . . . . 122 SER N . 52475 1
518 . 1 . 1 123 123 GLY H H 1 7.635 0.020 . 1 . . . . . 123 GLY H . 52475 1
519 . 1 . 1 123 123 GLY C C 13 173.668 0.3 . 1 . . . . . 123 GLY C . 52475 1
520 . 1 . 1 123 123 GLY CA C 13 44.913 0.3 . 1 . . . . . 123 GLY CA . 52475 1
521 . 1 . 1 123 123 GLY N N 15 115.227 0.3 . 1 . . . . . 123 GLY N . 52475 1
522 . 1 . 1 124 124 THR H H 1 7.545 0.020 . 1 . . . . . 124 THR H . 52475 1
523 . 1 . 1 124 124 THR C C 13 172.236 0.3 . 1 . . . . . 124 THR C . 52475 1
524 . 1 . 1 124 124 THR CA C 13 58.791 0.3 . 1 . . . . . 124 THR CA . 52475 1
525 . 1 . 1 124 124 THR CB C 13 72.403 0.3 . 1 . . . . . 124 THR CB . 52475 1
526 . 1 . 1 124 124 THR N N 15 109.477 0.3 . 1 . . . . . 124 THR N . 52475 1
527 . 1 . 1 125 125 VAL H H 1 8.565 0.020 . 1 . . . . . 125 VAL H . 52475 1
528 . 1 . 1 125 125 VAL C C 13 174.647 0.3 . 1 . . . . . 125 VAL C . 52475 1
529 . 1 . 1 125 125 VAL CA C 13 58.302 0.3 . 1 . . . . . 125 VAL CA . 52475 1
530 . 1 . 1 125 125 VAL CB C 13 34.237 0.3 . 1 . . . . . 125 VAL CB . 52475 1
531 . 1 . 1 125 125 VAL N N 15 111.713 0.3 . 1 . . . . . 125 VAL N . 52475 1
532 . 1 . 1 126 126 ASP H H 1 8.675 0.020 . 1 . . . . . 126 ASP H . 52475 1
533 . 1 . 1 126 126 ASP C C 13 175.881 0.3 . 1 . . . . . 126 ASP C . 52475 1
534 . 1 . 1 126 126 ASP CA C 13 51.852 0.3 . 1 . . . . . 126 ASP CA . 52475 1
535 . 1 . 1 126 126 ASP CB C 13 41.265 0.3 . 1 . . . . . 126 ASP CB . 52475 1
536 . 1 . 1 126 126 ASP N N 15 123.941 0.3 . 1 . . . . . 126 ASP N . 52475 1
537 . 1 . 1 128 128 GLN H H 1 8.832 0.020 . 1 . . . . . 128 GLN H . 52475 1
538 . 1 . 1 128 128 GLN C C 13 178.406 0.3 . 1 . . . . . 128 GLN C . 52475 1
539 . 1 . 1 128 128 GLN CA C 13 57.635 0.3 . 1 . . . . . 128 GLN CA . 52475 1
540 . 1 . 1 128 128 GLN CB C 13 27.298 0.3 . 1 . . . . . 128 GLN CB . 52475 1
541 . 1 . 1 128 128 GLN N N 15 117.033 0.3 . 1 . . . . . 128 GLN N . 52475 1
542 . 1 . 1 129 129 GLU H H 1 7.875 0.020 . 1 . . . . . 129 GLU H . 52475 1
543 . 1 . 1 129 129 GLU C C 13 176.863 0.3 . 1 . . . . . 129 GLU C . 52475 1
544 . 1 . 1 129 129 GLU CA C 13 56.656 0.3 . 1 . . . . . 129 GLU CA . 52475 1
545 . 1 . 1 129 129 GLU CB C 13 27.742 0.3 . 1 . . . . . 129 GLU CB . 52475 1
546 . 1 . 1 129 129 GLU N N 15 119.928 0.3 . 1 . . . . . 129 GLU N . 52475 1
547 . 1 . 1 130 130 LEU H H 1 7.528 0.020 . 1 . . . . . 130 LEU H . 52475 1
548 . 1 . 1 130 130 LEU C C 13 177.532 0.3 . 1 . . . . . 130 LEU C . 52475 1
549 . 1 . 1 130 130 LEU CA C 13 57.101 0.3 . 1 . . . . . 130 LEU CA . 52475 1
550 . 1 . 1 130 130 LEU CB C 13 40.731 0.3 . 1 . . . . . 130 LEU CB . 52475 1
551 . 1 . 1 130 130 LEU N N 15 119.861 0.3 . 1 . . . . . 130 LEU N . 52475 1
552 . 1 . 1 131 131 GLN H H 1 7.946 0.020 . 1 . . . . . 131 GLN H . 52475 1
553 . 1 . 1 131 131 GLN C C 13 178.188 0.3 . 1 . . . . . 131 GLN C . 52475 1
554 . 1 . 1 131 131 GLN CA C 13 59.414 0.3 . 1 . . . . . 131 GLN CA . 52475 1
555 . 1 . 1 131 131 GLN CB C 13 26.586 0.3 . 1 . . . . . 131 GLN CB . 52475 1
556 . 1 . 1 131 131 GLN N N 15 117.419 0.3 . 1 . . . . . 131 GLN N . 52475 1
557 . 1 . 1 132 132 LYS H H 1 7.552 0.020 . 1 . . . . . 132 LYS H . 52475 1
558 . 1 . 1 132 132 LYS C C 13 179.051 0.3 . 1 . . . . . 132 LYS C . 52475 1
559 . 1 . 1 132 132 LYS CA C 13 58.880 0.3 . 1 . . . . . 132 LYS CA . 52475 1
560 . 1 . 1 132 132 LYS CB C 13 31.390 0.3 . 1 . . . . . 132 LYS CB . 52475 1
561 . 1 . 1 132 132 LYS N N 15 120.871 0.3 . 1 . . . . . 132 LYS N . 52475 1
562 . 1 . 1 133 133 ALA H H 1 8.219 0.020 . 1 . . . . . 133 ALA H . 52475 1
563 . 1 . 1 133 133 ALA C C 13 179.298 0.3 . 1 . . . . . 133 ALA C . 52475 1
564 . 1 . 1 133 133 ALA CA C 13 54.788 0.3 . 1 . . . . . 133 ALA CA . 52475 1
565 . 1 . 1 133 133 ALA CB C 13 16.266 0.3 . 1 . . . . . 133 ALA CB . 52475 1
566 . 1 . 1 133 133 ALA N N 15 124.345 0.3 . 1 . . . . . 133 ALA N . 52475 1
567 . 1 . 1 134 134 LEU H H 1 8.492 0.020 . 1 . . . . . 134 LEU H . 52475 1
568 . 1 . 1 134 134 LEU C C 13 179.532 0.3 . 1 . . . . . 134 LEU C . 52475 1
569 . 1 . 1 134 134 LEU CA C 13 57.635 0.3 . 1 . . . . . 134 LEU CA . 52475 1
570 . 1 . 1 134 134 LEU CB C 13 40.020 0.3 . 1 . . . . . 134 LEU CB . 52475 1
571 . 1 . 1 134 134 LEU N N 15 116.173 0.3 . 1 . . . . . 134 LEU N . 52475 1
572 . 1 . 1 135 135 THR H H 1 7.889 0.020 . 1 . . . . . 135 THR H . 52475 1
573 . 1 . 1 135 135 THR C C 13 178.880 0.3 . 1 . . . . . 135 THR C . 52475 1
574 . 1 . 1 135 135 THR CA C 13 65.731 0.3 . 1 . . . . . 135 THR CA . 52475 1
575 . 1 . 1 135 135 THR CB C 13 68.222 0.3 . 1 . . . . . 135 THR CB . 52475 1
576 . 1 . 1 135 135 THR N N 15 114.652 0.3 . 1 . . . . . 135 THR N . 52475 1
577 . 1 . 1 136 136 THR H H 1 8.177 0.020 . 1 . . . . . 136 THR H . 52475 1
578 . 1 . 1 136 136 THR C C 13 175.672 0.3 . 1 . . . . . 136 THR C . 52475 1
579 . 1 . 1 136 136 THR CA C 13 65.375 0.3 . 1 . . . . . 136 THR CA . 52475 1
580 . 1 . 1 136 136 THR CB C 13 68.222 0.3 . 1 . . . . . 136 THR CB . 52475 1
581 . 1 . 1 136 136 THR N N 15 119.593 0.3 . 1 . . . . . 136 THR N . 52475 1
582 . 1 . 1 137 137 MET H H 1 7.573 0.020 . 1 . . . . . 137 MET H . 52475 1
583 . 1 . 1 137 137 MET C C 13 175.646 0.3 . 1 . . . . . 137 MET C . 52475 1
584 . 1 . 1 137 137 MET CA C 13 55.944 0.3 . 1 . . . . . 137 MET CA . 52475 1
585 . 1 . 1 137 137 MET CB C 13 33.080 0.3 . 1 . . . . . 137 MET CB . 52475 1
586 . 1 . 1 137 137 MET N N 15 118.609 0.3 . 1 . . . . . 137 MET N . 52475 1
587 . 1 . 1 138 138 GLY H H 1 7.517 0.020 . 1 . . . . . 138 GLY H . 52475 1
588 . 1 . 1 138 138 GLY C C 13 174.286 0.3 . 1 . . . . . 138 GLY C . 52475 1
589 . 1 . 1 138 138 GLY CA C 13 44.254 0.3 . 1 . . . . . 138 GLY CA . 52475 1
590 . 1 . 1 138 138 GLY N N 15 105.948 0.3 . 1 . . . . . 138 GLY N . 52475 1
591 . 1 . 1 139 139 PHE H H 1 7.710 0.020 . 1 . . . . . 139 PHE H . 52475 1
592 . 1 . 1 139 139 PHE C C 13 175.406 0.3 . 1 . . . . . 139 PHE C . 52475 1
593 . 1 . 1 139 139 PHE CA C 13 57.190 0.3 . 1 . . . . . 139 PHE CA . 52475 1
594 . 1 . 1 139 139 PHE CB C 13 37.884 0.3 . 1 . . . . . 139 PHE CB . 52475 1
595 . 1 . 1 139 139 PHE N N 15 119.866 0.3 . 1 . . . . . 139 PHE N . 52475 1
596 . 1 . 1 140 140 ARG H H 1 8.771 0.020 . 1 . . . . . 140 ARG H . 52475 1
597 . 1 . 1 140 140 ARG C C 13 174.552 0.3 . 1 . . . . . 140 ARG C . 52475 1
598 . 1 . 1 140 140 ARG CA C 13 54.076 0.3 . 1 . . . . . 140 ARG CA . 52475 1
599 . 1 . 1 140 140 ARG CB C 13 28.454 0.3 . 1 . . . . . 140 ARG CB . 52475 1
600 . 1 . 1 140 140 ARG N N 15 126.325 0.3 . 1 . . . . . 140 ARG N . 52475 1
601 . 1 . 1 141 141 LEU H H 1 7.982 0.020 . 1 . . . . . 141 LEU H . 52475 1
602 . 1 . 1 141 141 LEU C C 13 176.147 0.3 . 1 . . . . . 141 LEU C . 52475 1
603 . 1 . 1 141 141 LEU CA C 13 51.941 0.3 . 1 . . . . . 141 LEU CA . 52475 1
604 . 1 . 1 141 141 LEU CB C 13 44.824 0.3 . 1 . . . . . 141 LEU CB . 52475 1
605 . 1 . 1 141 141 LEU N N 15 125.192 0.3 . 1 . . . . . 141 LEU N . 52475 1
606 . 1 . 1 142 142 SER H H 1 9.319 0.020 . 1 . . . . . 142 SER H . 52475 1
607 . 1 . 1 142 142 SER C C 13 172.938 0.3 . 1 . . . . . 142 SER C . 52475 1
608 . 1 . 1 142 142 SER CA C 13 56.478 0.3 . 1 . . . . . 142 SER CA . 52475 1
609 . 1 . 1 142 142 SER CB C 13 61.460 0.3 . 1 . . . . . 142 SER CB . 52475 1
610 . 1 . 1 142 142 SER N N 15 121.240 0.3 . 1 . . . . . 142 SER N . 52475 1
611 . 1 . 1 144 144 GLN H H 1 8.112 0.020 . 1 . . . . . 144 GLN H . 52475 1
612 . 1 . 1 144 144 GLN C C 13 178.558 0.3 . 1 . . . . . 144 GLN C . 52475 1
613 . 1 . 1 144 144 GLN CA C 13 58.524 0.3 . 1 . . . . . 144 GLN CA . 52475 1
614 . 1 . 1 144 144 GLN CB C 13 26.586 0.3 . 1 . . . . . 144 GLN CB . 52475 1
615 . 1 . 1 144 144 GLN N N 15 116.344 0.3 . 1 . . . . . 144 GLN N . 52475 1
616 . 1 . 1 145 145 ALA H H 1 8.033 0.020 . 1 . . . . . 145 ALA H . 52475 1
617 . 1 . 1 145 145 ALA C C 13 179.507 0.3 . 1 . . . . . 145 ALA C . 52475 1
618 . 1 . 1 145 145 ALA CA C 13 54.877 0.3 . 1 . . . . . 145 ALA CA . 52475 1
619 . 1 . 1 145 145 ALA CB C 13 17.334 0.3 . 1 . . . . . 145 ALA CB . 52475 1
620 . 1 . 1 145 145 ALA N N 15 124.782 0.3 . 1 . . . . . 145 ALA N . 52475 1
621 . 1 . 1 146 146 VAL H H 1 8.120 0.020 . 1 . . . . . 146 VAL H . 52475 1
622 . 1 . 1 146 146 VAL C C 13 177.153 0.3 . 1 . . . . . 146 VAL C . 52475 1
623 . 1 . 1 146 146 VAL CA C 13 66.531 0.3 . 1 . . . . . 146 VAL CA . 52475 1
624 . 1 . 1 146 146 VAL CB C 13 29.611 0.3 . 1 . . . . . 146 VAL CB . 52475 1
625 . 1 . 1 146 146 VAL N N 15 116.909 0.3 . 1 . . . . . 146 VAL N . 52475 1
626 . 1 . 1 147 147 ASN H H 1 8.161 0.020 . 1 . . . . . 147 ASN H . 52475 1
627 . 1 . 1 147 147 ASN C C 13 177.513 0.3 . 1 . . . . . 147 ASN C . 52475 1
628 . 1 . 1 147 147 ASN CA C 13 55.855 0.3 . 1 . . . . . 147 ASN CA . 52475 1
629 . 1 . 1 147 147 ASN CB C 13 37.796 0.3 . 1 . . . . . 147 ASN CB . 52475 1
630 . 1 . 1 147 147 ASN N N 15 119.023 0.3 . 1 . . . . . 147 ASN N . 52475 1
631 . 1 . 1 148 148 SER H H 1 7.615 0.020 . 1 . . . . . 148 SER H . 52475 1
632 . 1 . 1 148 148 SER C C 13 175.881 0.3 . 1 . . . . . 148 SER C . 52475 1
633 . 1 . 1 148 148 SER CA C 13 61.193 0.3 . 1 . . . . . 148 SER CA . 52475 1
634 . 1 . 1 148 148 SER CB C 13 62.973 0.3 . 1 . . . . . 148 SER CB . 52475 1
635 . 1 . 1 148 148 SER N N 15 115.831 0.3 . 1 . . . . . 148 SER N . 52475 1
636 . 1 . 1 149 149 ILE H H 1 7.663 0.020 . 1 . . . . . 149 ILE H . 52475 1
637 . 1 . 1 149 149 ILE C C 13 176.906 0.3 . 1 . . . . . 149 ILE C . 52475 1
638 . 1 . 1 149 149 ILE CA C 13 64.752 0.3 . 1 . . . . . 149 ILE CA . 52475 1
639 . 1 . 1 149 149 ILE CB C 13 37.440 0.3 . 1 . . . . . 149 ILE CB . 52475 1
640 . 1 . 1 149 149 ILE N N 15 122.959 0.3 . 1 . . . . . 149 ILE N . 52475 1
641 . 1 . 1 150 150 ALA H H 1 8.516 0.020 . 1 . . . . . 150 ALA H . 52475 1
642 . 1 . 1 150 150 ALA C C 13 179.768 0.3 . 1 . . . . . 150 ALA C . 52475 1
643 . 1 . 1 150 150 ALA CA C 13 54.254 0.3 . 1 . . . . . 150 ALA CA . 52475 1
644 . 1 . 1 150 150 ALA CB C 13 16.800 0.3 . 1 . . . . . 150 ALA CB . 52475 1
645 . 1 . 1 150 150 ALA N N 15 120.686 0.3 . 1 . . . . . 150 ALA N . 52475 1
646 . 1 . 1 151 151 LYS H H 1 7.616 0.020 . 1 . . . . . 151 LYS H . 52475 1
647 . 1 . 1 151 151 LYS C C 13 178.569 0.3 . 1 . . . . . 151 LYS C . 52475 1
648 . 1 . 1 151 151 LYS CA C 13 57.635 0.3 . 1 . . . . . 151 LYS CA . 52475 1
649 . 1 . 1 151 151 LYS CB C 13 30.767 0.3 . 1 . . . . . 151 LYS CB . 52475 1
650 . 1 . 1 151 151 LYS N N 15 116.190 0.3 . 1 . . . . . 151 LYS N . 52475 1
651 . 1 . 1 152 152 ARG H H 1 7.443 0.020 . 1 . . . . . 152 ARG H . 52475 1
652 . 1 . 1 152 152 ARG C C 13 177.408 0.3 . 1 . . . . . 152 ARG C . 52475 1
653 . 1 . 1 152 152 ARG CA C 13 57.012 0.3 . 1 . . . . . 152 ARG CA . 52475 1
654 . 1 . 1 152 152 ARG CB C 13 28.454 0.3 . 1 . . . . . 152 ARG CB . 52475 1
655 . 1 . 1 152 152 ARG N N 15 120.856 0.3 . 1 . . . . . 152 ARG N . 52475 1
656 . 1 . 1 153 153 TYR H H 1 7.505 0.020 . 1 . . . . . 153 TYR H . 52475 1
657 . 1 . 1 153 153 TYR C C 13 173.904 0.3 . 1 . . . . . 153 TYR C . 52475 1
658 . 1 . 1 153 153 TYR CA C 13 58.346 0.3 . 1 . . . . . 153 TYR CA . 52475 1
659 . 1 . 1 153 153 TYR CB C 13 37.173 0.3 . 1 . . . . . 153 TYR CB . 52475 1
660 . 1 . 1 153 153 TYR N N 15 114.535 0.3 . 1 . . . . . 153 TYR N . 52475 1
661 . 1 . 1 154 154 SER H H 1 7.077 0.020 . 1 . . . . . 154 SER H . 52475 1
662 . 1 . 1 154 154 SER C C 13 174.666 0.3 . 1 . . . . . 154 SER C . 52475 1
663 . 1 . 1 154 154 SER CA C 13 58.346 0.3 . 1 . . . . . 154 SER CA . 52475 1
664 . 1 . 1 154 154 SER CB C 13 64.752 0.3 . 1 . . . . . 154 SER CB . 52475 1
665 . 1 . 1 154 154 SER N N 15 114.072 0.3 . 1 . . . . . 154 SER N . 52475 1
666 . 1 . 1 155 155 THR H H 1 9.593 0.020 . 1 . . . . . 155 THR H . 52475 1
667 . 1 . 1 155 155 THR C C 13 175.591 0.3 . 1 . . . . . 155 THR C . 52475 1
668 . 1 . 1 155 155 THR CA C 13 61.193 0.3 . 1 . . . . . 155 THR CA . 52475 1
669 . 1 . 1 155 155 THR CB C 13 69.378 0.3 . 1 . . . . . 155 THR CB . 52475 1
670 . 1 . 1 155 155 THR N N 15 121.123 0.3 . 1 . . . . . 155 THR N . 52475 1
671 . 1 . 1 156 156 ASN H H 1 9.671 0.020 . 1 . . . . . 156 ASN H . 52475 1
672 . 1 . 1 156 156 ASN C C 13 175.392 0.3 . 1 . . . . . 156 ASN C . 52475 1
673 . 1 . 1 156 156 ASN CA C 13 54.076 0.3 . 1 . . . . . 156 ASN CA . 52475 1
674 . 1 . 1 156 156 ASN CB C 13 37.173 0.3 . 1 . . . . . 156 ASN CB . 52475 1
675 . 1 . 1 156 156 ASN N N 15 127.197 0.3 . 1 . . . . . 156 ASN N . 52475 1
676 . 1 . 1 157 157 GLY H H 1 8.483 0.020 . 1 . . . . . 157 GLY H . 52475 1
677 . 1 . 1 157 157 GLY C C 13 173.177 0.3 . 1 . . . . . 157 GLY C . 52475 1
678 . 1 . 1 157 157 GLY CA C 13 44.811 0.3 . 1 . . . . . 157 GLY CA . 52475 1
679 . 1 . 1 157 157 GLY N N 15 102.847 0.3 . 1 . . . . . 157 GLY N . 52475 1
680 . 1 . 1 158 158 LYS H H 1 7.525 0.020 . 1 . . . . . 158 LYS H . 52475 1
681 . 1 . 1 158 158 LYS C C 13 174.058 0.3 . 1 . . . . . 158 LYS C . 52475 1
682 . 1 . 1 158 158 LYS CA C 13 53.542 0.3 . 1 . . . . . 158 LYS CA . 52475 1
683 . 1 . 1 158 158 LYS CB C 13 35.482 0.3 . 1 . . . . . 158 LYS CB . 52475 1
684 . 1 . 1 158 158 LYS N N 15 117.755 0.3 . 1 . . . . . 158 LYS N . 52475 1
685 . 1 . 1 159 159 ILE H H 1 8.908 0.020 . 1 . . . . . 159 ILE H . 52475 1
686 . 1 . 1 159 159 ILE C C 13 176.526 0.3 . 1 . . . . . 159 ILE C . 52475 1
687 . 1 . 1 159 159 ILE CA C 13 59.147 0.3 . 1 . . . . . 159 ILE CA . 52475 1
688 . 1 . 1 159 159 ILE CB C 13 37.262 0.3 . 1 . . . . . 159 ILE CB . 52475 1
689 . 1 . 1 159 159 ILE N N 15 120.584 0.3 . 1 . . . . . 159 ILE N . 52475 1
690 . 1 . 1 160 160 THR H H 1 9.208 0.020 . 1 . . . . . 160 THR H . 52475 1
691 . 1 . 1 160 160 THR C C 13 174.932 0.3 . 1 . . . . . 160 THR C . 52475 1
692 . 1 . 1 160 160 THR CA C 13 61.104 0.3 . 1 . . . . . 160 THR CA . 52475 1
693 . 1 . 1 160 160 THR CB C 13 70.624 0.3 . 1 . . . . . 160 THR CB . 52475 1
694 . 1 . 1 160 160 THR N N 15 118.486 0.3 . 1 . . . . . 160 THR N . 52475 1
695 . 1 . 1 161 161 PHE H H 1 7.408 0.020 . 1 . . . . . 161 PHE H . 52475 1
696 . 1 . 1 161 161 PHE C C 13 175.539 0.3 . 1 . . . . . 161 PHE C . 52475 1
697 . 1 . 1 161 161 PHE CA C 13 60.660 0.3 . 1 . . . . . 161 PHE CA . 52475 1
698 . 1 . 1 161 161 PHE CB C 13 37.262 0.3 . 1 . . . . . 161 PHE CB . 52475 1
699 . 1 . 1 161 161 PHE N N 15 120.003 0.3 . 1 . . . . . 161 PHE N . 52475 1
700 . 1 . 1 162 162 ASP H H 1 8.174 0.020 . 1 . . . . . 162 ASP H . 52475 1
701 . 1 . 1 162 162 ASP C C 13 176.602 0.3 . 1 . . . . . 162 ASP C . 52475 1
702 . 1 . 1 162 162 ASP CA C 13 57.635 0.3 . 1 . . . . . 162 ASP CA . 52475 1
703 . 1 . 1 162 162 ASP CB C 13 41.977 0.3 . 1 . . . . . 162 ASP CB . 52475 1
704 . 1 . 1 162 162 ASP N N 15 117.051 0.3 . 1 . . . . . 162 ASP N . 52475 1
705 . 1 . 1 163 163 ASP H H 1 7.230 0.020 . 1 . . . . . 163 ASP H . 52475 1
706 . 1 . 1 163 163 ASP C C 13 177.020 0.3 . 1 . . . . . 163 ASP C . 52475 1
707 . 1 . 1 163 163 ASP CA C 13 57.012 0.3 . 1 . . . . . 163 ASP CA . 52475 1
708 . 1 . 1 163 163 ASP CB C 13 40.020 0.3 . 1 . . . . . 163 ASP CB . 52475 1
709 . 1 . 1 163 163 ASP N N 15 116.768 0.3 . 1 . . . . . 163 ASP N . 52475 1
710 . 1 . 1 164 164 TYR H H 1 8.649 0.020 . 1 . . . . . 164 TYR H . 52475 1
711 . 1 . 1 164 164 TYR C C 13 176.412 0.3 . 1 . . . . . 164 TYR C . 52475 1
712 . 1 . 1 164 164 TYR CA C 13 60.126 0.3 . 1 . . . . . 164 TYR CA . 52475 1
713 . 1 . 1 164 164 TYR CB C 13 37.351 0.3 . 1 . . . . . 164 TYR CB . 52475 1
714 . 1 . 1 164 164 TYR N N 15 121.825 0.3 . 1 . . . . . 164 TYR N . 52475 1
715 . 1 . 1 165 165 ILE H H 1 7.950 0.020 . 1 . . . . . 165 ILE H . 52475 1
716 . 1 . 1 165 165 ILE C C 13 173.925 0.3 . 1 . . . . . 165 ILE C . 52475 1
717 . 1 . 1 165 165 ILE CA C 13 60.126 0.3 . 1 . . . . . 165 ILE CA . 52475 1
718 . 1 . 1 165 165 ILE CB C 13 38.418 0.3 . 1 . . . . . 165 ILE CB . 52475 1
719 . 1 . 1 165 165 ILE N N 15 120.065 0.3 . 1 . . . . . 165 ILE N . 52475 1
720 . 1 . 1 166 166 ALA H H 1 8.277 0.020 . 1 . . . . . 166 ALA H . 52475 1
721 . 1 . 1 166 166 ALA C C 13 178.515 0.3 . 1 . . . . . 166 ALA C . 52475 1
722 . 1 . 1 166 166 ALA CA C 13 55.411 0.3 . 1 . . . . . 166 ALA CA . 52475 1
723 . 1 . 1 166 166 ALA CB C 13 17.296 0.3 . 1 . . . . . 166 ALA CB . 52475 1
724 . 1 . 1 166 166 ALA N N 15 122.595 0.3 . 1 . . . . . 166 ALA N . 52475 1
725 . 1 . 1 167 167 CYS H H 1 7.807 0.020 . 1 . . . . . 167 CYS H . 52475 1
726 . 1 . 1 167 167 CYS C C 13 175.410 0.3 . 1 . . . . . 167 CYS C . 52475 1
727 . 1 . 1 167 167 CYS CA C 13 56.033 0.3 . 1 . . . . . 167 CYS CA . 52475 1
728 . 1 . 1 167 167 CYS CB C 13 24.807 0.3 . 1 . . . . . 167 CYS CB . 52475 1
729 . 1 . 1 167 167 CYS N N 15 116.355 0.3 . 1 . . . . . 167 CYS N . 52475 1
730 . 1 . 1 168 168 CYS H H 1 7.242 0.020 . 1 . . . . . 168 CYS H . 52475 1
731 . 1 . 1 168 168 CYS C C 13 176.166 0.3 . 1 . . . . . 168 CYS C . 52475 1
732 . 1 . 1 168 168 CYS CA C 13 63.684 0.3 . 1 . . . . . 168 CYS CA . 52475 1
733 . 1 . 1 168 168 CYS CB C 13 24.807 0.3 . 1 . . . . . 168 CYS CB . 52475 1
734 . 1 . 1 168 168 CYS N N 15 117.755 0.3 . 1 . . . . . 168 CYS N . 52475 1
735 . 1 . 1 169 169 VAL H H 1 8.267 0.020 . 1 . . . . . 169 VAL H . 52475 1
736 . 1 . 1 169 169 VAL C C 13 177.305 0.3 . 1 . . . . . 169 VAL C . 52475 1
737 . 1 . 1 169 169 VAL CA C 13 64.752 0.3 . 1 . . . . . 169 VAL CA . 52475 1
738 . 1 . 1 169 169 VAL CB C 13 30.233 0.3 . 1 . . . . . 169 VAL CB . 52475 1
739 . 1 . 1 169 169 VAL N N 15 119.570 0.3 . 1 . . . . . 169 VAL N . 52475 1
740 . 1 . 1 170 170 LYS H H 1 8.104 0.020 . 1 . . . . . 170 LYS H . 52475 1
741 . 1 . 1 170 170 LYS C C 13 178.140 0.3 . 1 . . . . . 170 LYS C . 52475 1
742 . 1 . 1 170 170 LYS CA C 13 60.126 0.3 . 1 . . . . . 170 LYS CA . 52475 1
743 . 1 . 1 170 170 LYS CB C 13 31.924 0.3 . 1 . . . . . 170 LYS CB . 52475 1
744 . 1 . 1 170 170 LYS N N 15 120.134 0.3 . 1 . . . . . 170 LYS N . 52475 1
745 . 1 . 1 171 171 LEU H H 1 8.439 0.020 . 1 . . . . . 171 LEU H . 52475 1
746 . 1 . 1 171 171 LEU C C 13 180.912 0.3 . 1 . . . . . 171 LEU C . 52475 1
747 . 1 . 1 171 171 LEU CA C 13 57.190 0.3 . 1 . . . . . 171 LEU CA . 52475 1
748 . 1 . 1 171 171 LEU CB C 13 40.820 0.3 . 1 . . . . . 171 LEU CB . 52475 1
749 . 1 . 1 171 171 LEU N N 15 118.881 0.3 . 1 . . . . . 171 LEU N . 52475 1
750 . 1 . 1 172 172 ARG H H 1 8.348 0.020 . 1 . . . . . 172 ARG H . 52475 1
751 . 1 . 1 172 172 ARG C C 13 177.779 0.3 . 1 . . . . . 172 ARG C . 52475 1
752 . 1 . 1 172 172 ARG CA C 13 58.969 0.3 . 1 . . . . . 172 ARG CA . 52475 1
753 . 1 . 1 172 172 ARG CB C 13 28.543 0.3 . 1 . . . . . 172 ARG CB . 52475 1
754 . 1 . 1 172 172 ARG N N 15 124.083 0.3 . 1 . . . . . 172 ARG N . 52475 1
755 . 1 . 1 173 173 ALA H H 1 8.812 0.020 . 1 . . . . . 173 ALA H . 52475 1
756 . 1 . 1 173 173 ALA C C 13 181.671 0.3 . 1 . . . . . 173 ALA C . 52475 1
757 . 1 . 1 173 173 ALA CA C 13 54.165 0.3 . 1 . . . . . 173 ALA CA . 52475 1
758 . 1 . 1 173 173 ALA CB C 13 17.867 0.3 . 1 . . . . . 173 ALA CB . 52475 1
759 . 1 . 1 173 173 ALA N N 15 122.263 0.3 . 1 . . . . . 173 ALA N . 52475 1
760 . 1 . 1 174 174 LEU H H 1 9.147 0.020 . 1 . . . . . 174 LEU H . 52475 1
761 . 1 . 1 174 174 LEU C C 13 179.564 0.3 . 1 . . . . . 174 LEU C . 52475 1
762 . 1 . 1 174 174 LEU CA C 13 57.101 0.3 . 1 . . . . . 174 LEU CA . 52475 1
763 . 1 . 1 174 174 LEU CB C 13 40.731 0.3 . 1 . . . . . 174 LEU CB . 52475 1
764 . 1 . 1 174 174 LEU N N 15 118.580 0.3 . 1 . . . . . 174 LEU N . 52475 1
765 . 1 . 1 175 175 THR H H 1 8.233 0.020 . 1 . . . . . 175 THR H . 52475 1
766 . 1 . 1 175 175 THR C C 13 175.653 0.3 . 1 . . . . . 175 THR C . 52475 1
767 . 1 . 1 175 175 THR CA C 13 68.222 0.3 . 1 . . . . . 175 THR CA . 52475 1
768 . 1 . 1 175 175 THR N N 15 118.331 0.3 . 1 . . . . . 175 THR N . 52475 1
769 . 1 . 1 176 176 ASP H H 1 8.538 0.020 . 1 . . . . . 176 ASP H . 52475 1
770 . 1 . 1 176 176 ASP C C 13 178.880 0.3 . 1 . . . . . 176 ASP C . 52475 1
771 . 1 . 1 176 176 ASP CA C 13 57.457 0.3 . 1 . . . . . 176 ASP CA . 52475 1
772 . 1 . 1 176 176 ASP CB C 13 39.486 0.3 . 1 . . . . . 176 ASP CB . 52475 1
773 . 1 . 1 176 176 ASP N N 15 123.513 0.3 . 1 . . . . . 176 ASP N . 52475 1
774 . 1 . 1 177 177 SER H H 1 8.156 0.020 . 1 . . . . . 177 SER H . 52475 1
775 . 1 . 1 177 177 SER C C 13 177.172 0.3 . 1 . . . . . 177 SER C . 52475 1
776 . 1 . 1 177 177 SER CA C 13 57.724 0.3 . 1 . . . . . 177 SER CA . 52475 1
777 . 1 . 1 177 177 SER CB C 13 63.062 0.3 . 1 . . . . . 177 SER CB . 52475 1
778 . 1 . 1 177 177 SER N N 15 116.543 0.3 . 1 . . . . . 177 SER N . 52475 1
779 . 1 . 1 178 178 PHE H H 1 8.367 0.020 . 1 . . . . . 178 PHE H . 52475 1
780 . 1 . 1 178 178 PHE C C 13 176.963 0.3 . 1 . . . . . 178 PHE C . 52475 1
781 . 1 . 1 178 178 PHE CA C 13 61.549 0.3 . 1 . . . . . 178 PHE CA . 52475 1
782 . 1 . 1 178 178 PHE CB C 13 38.507 0.3 . 1 . . . . . 178 PHE CB . 52475 1
783 . 1 . 1 178 178 PHE N N 15 123.656 0.3 . 1 . . . . . 178 PHE N . 52475 1
784 . 1 . 1 179 179 ARG H H 1 8.831 0.020 . 1 . . . . . 179 ARG H . 52475 1
785 . 1 . 1 179 179 ARG C C 13 179.423 0.3 . 1 . . . . . 179 ARG C . 52475 1
786 . 1 . 1 179 179 ARG CA C 13 58.969 0.3 . 1 . . . . . 179 ARG CA . 52475 1
787 . 1 . 1 179 179 ARG CB C 13 28.810 0.3 . 1 . . . . . 179 ARG CB . 52475 1
788 . 1 . 1 179 179 ARG N N 15 118.201 0.3 . 1 . . . . . 179 ARG N . 52475 1
789 . 1 . 1 180 180 ARG H H 1 7.849 0.020 . 1 . . . . . 180 ARG H . 52475 1
790 . 1 . 1 180 180 ARG C C 13 177.789 0.3 . 1 . . . . . 180 ARG C . 52475 1
791 . 1 . 1 180 180 ARG CA C 13 58.346 0.3 . 1 . . . . . 180 ARG CA . 52475 1
792 . 1 . 1 180 180 ARG CB C 13 28.988 0.3 . 1 . . . . . 180 ARG CB . 52475 1
793 . 1 . 1 180 180 ARG N N 15 117.460 0.3 . 1 . . . . . 180 ARG N . 52475 1
794 . 1 . 1 181 181 ARG H H 1 6.878 0.020 . 1 . . . . . 181 ARG H . 52475 1
795 . 1 . 1 181 181 ARG C C 13 175.919 0.3 . 1 . . . . . 181 ARG C . 52475 1
796 . 1 . 1 181 181 ARG CA C 13 55.855 0.3 . 1 . . . . . 181 ARG CA . 52475 1
797 . 1 . 1 181 181 ARG CB C 13 29.611 0.3 . 1 . . . . . 181 ARG CB . 52475 1
798 . 1 . 1 181 181 ARG N N 15 116.639 0.3 . 1 . . . . . 181 ARG N . 52475 1
799 . 1 . 1 182 182 ASP H H 1 7.440 0.020 . 1 . . . . . 182 ASP H . 52475 1
800 . 1 . 1 182 182 ASP C C 13 177.553 0.3 . 1 . . . . . 182 ASP C . 52475 1
801 . 1 . 1 182 182 ASP CA C 13 51.407 0.3 . 1 . . . . . 182 ASP CA . 52475 1
802 . 1 . 1 182 182 ASP CB C 13 37.884 0.3 . 1 . . . . . 182 ASP CB . 52475 1
803 . 1 . 1 182 182 ASP N N 15 123.104 0.3 . 1 . . . . . 182 ASP N . 52475 1
804 . 1 . 1 183 183 THR H H 1 7.808 0.020 . 1 . . . . . 183 THR H . 52475 1
805 . 1 . 1 183 183 THR C C 13 175.691 0.3 . 1 . . . . . 183 THR C . 52475 1
806 . 1 . 1 183 183 THR CA C 13 64.129 0.3 . 1 . . . . . 183 THR CA . 52475 1
807 . 1 . 1 183 183 THR CB C 13 67.688 0.3 . 1 . . . . . 183 THR CB . 52475 1
808 . 1 . 1 183 183 THR N N 15 117.158 0.3 . 1 . . . . . 183 THR N . 52475 1
809 . 1 . 1 184 184 ALA H H 1 8.415 0.020 . 1 . . . . . 184 ALA H . 52475 1
810 . 1 . 1 184 184 ALA C C 13 176.260 0.3 . 1 . . . . . 184 ALA C . 52475 1
811 . 1 . 1 184 184 ALA CA C 13 50.873 0.3 . 1 . . . . . 184 ALA CA . 52475 1
812 . 1 . 1 184 184 ALA CB C 13 17.422 0.3 . 1 . . . . . 184 ALA CB . 52475 1
813 . 1 . 1 184 184 ALA N N 15 122.848 0.3 . 1 . . . . . 184 ALA N . 52475 1
814 . 1 . 1 185 185 GLN H H 1 7.819 0.020 . 1 . . . . . 185 GLN H . 52475 1
815 . 1 . 1 185 185 GLN C C 13 175.683 0.3 . 1 . . . . . 185 GLN C . 52475 1
816 . 1 . 1 185 185 GLN CA C 13 56.033 0.3 . 1 . . . . . 185 GLN CA . 52475 1
817 . 1 . 1 185 185 GLN CB C 13 24.807 0.3 . 1 . . . . . 185 GLN CB . 52475 1
818 . 1 . 1 185 185 GLN N N 15 117.060 0.3 . 1 . . . . . 185 GLN N . 52475 1
819 . 1 . 1 186 186 GLN H H 1 9.622 0.020 . 1 . . . . . 186 GLN H . 52475 1
820 . 1 . 1 186 186 GLN C C 13 177.825 0.3 . 1 . . . . . 186 GLN C . 52475 1
821 . 1 . 1 186 186 GLN CA C 13 55.322 0.3 . 1 . . . . . 186 GLN CA . 52475 1
822 . 1 . 1 186 186 GLN CB C 13 30.233 0.3 . 1 . . . . . 186 GLN CB . 52475 1
823 . 1 . 1 186 186 GLN N N 15 119.106 0.3 . 1 . . . . . 186 GLN N . 52475 1
824 . 1 . 1 187 187 GLY H H 1 8.277 0.020 . 1 . . . . . 187 GLY H . 52475 1
825 . 1 . 1 187 187 GLY C C 13 173.904 0.3 . 1 . . . . . 187 GLY C . 52475 1
826 . 1 . 1 187 187 GLY CA C 13 44.735 0.3 . 1 . . . . . 187 GLY CA . 52475 1
827 . 1 . 1 187 187 GLY N N 15 111.435 0.3 . 1 . . . . . 187 GLY N . 52475 1
828 . 1 . 1 188 188 VAL H H 1 7.058 0.020 . 1 . . . . . 188 VAL H . 52475 1
829 . 1 . 1 188 188 VAL C C 13 173.299 0.3 . 1 . . . . . 188 VAL C . 52475 1
830 . 1 . 1 188 188 VAL CA C 13 59.948 0.3 . 1 . . . . . 188 VAL CA . 52475 1
831 . 1 . 1 188 188 VAL CB C 13 34.415 0.3 . 1 . . . . . 188 VAL CB . 52475 1
832 . 1 . 1 188 188 VAL N N 15 119.471 0.3 . 1 . . . . . 188 VAL N . 52475 1
833 . 1 . 1 189 189 VAL H H 1 7.956 0.020 . 1 . . . . . 189 VAL H . 52475 1
834 . 1 . 1 189 189 VAL C C 13 174.172 0.3 . 1 . . . . . 189 VAL C . 52475 1
835 . 1 . 1 189 189 VAL CA C 13 59.503 0.3 . 1 . . . . . 189 VAL CA . 52475 1
836 . 1 . 1 189 189 VAL CB C 13 34.860 0.3 . 1 . . . . . 189 VAL CB . 52475 1
837 . 1 . 1 189 189 VAL N N 15 124.762 0.3 . 1 . . . . . 189 VAL N . 52475 1
838 . 1 . 1 190 190 ASN H H 1 8.408 0.020 . 1 . . . . . 190 ASN H . 52475 1
839 . 1 . 1 190 190 ASN C C 13 173.925 0.3 . 1 . . . . . 190 ASN C . 52475 1
840 . 1 . 1 190 190 ASN CA C 13 51.941 0.3 . 1 . . . . . 190 ASN CA . 52475 1
841 . 1 . 1 190 190 ASN CB C 13 38.418 0.3 . 1 . . . . . 190 ASN CB . 52475 1
842 . 1 . 1 190 190 ASN N N 15 126.055 0.3 . 1 . . . . . 190 ASN N . 52475 1
843 . 1 . 1 191 191 PHE H H 1 9.349 0.020 . 1 . . . . . 191 PHE H . 52475 1
844 . 1 . 1 191 191 PHE C C 13 173.906 0.3 . 1 . . . . . 191 PHE C . 52475 1
845 . 1 . 1 191 191 PHE CA C 13 55.855 0.3 . 1 . . . . . 191 PHE CA . 52475 1
846 . 1 . 1 191 191 PHE CB C 13 41.888 0.3 . 1 . . . . . 191 PHE CB . 52475 1
847 . 1 . 1 191 191 PHE N N 15 126.726 0.3 . 1 . . . . . 191 PHE N . 52475 1
848 . 1 . 1 193 193 TYR H H 1 7.943 0.020 . 1 . . . . . 193 TYR H . 52475 1
849 . 1 . 1 193 193 TYR C C 13 175.482 0.3 . 1 . . . . . 193 TYR C . 52475 1
850 . 1 . 1 193 193 TYR CA C 13 61.193 0.3 . 1 . . . . . 193 TYR CA . 52475 1
851 . 1 . 1 193 193 TYR CB C 13 37.262 0.3 . 1 . . . . . 193 TYR CB . 52475 1
852 . 1 . 1 193 193 TYR N N 15 124.086 0.3 . 1 . . . . . 193 TYR N . 52475 1
853 . 1 . 1 194 194 ASP H H 1 9.005 0.020 . 1 . . . . . 194 ASP H . 52475 1
854 . 1 . 1 194 194 ASP C C 13 177.662 0.3 . 1 . . . . . 194 ASP C . 52475 1
855 . 1 . 1 194 194 ASP CA C 13 57.724 0.3 . 1 . . . . . 194 ASP CA . 52475 1
856 . 1 . 1 194 194 ASP CB C 13 41.354 0.3 . 1 . . . . . 194 ASP CB . 52475 1
857 . 1 . 1 194 194 ASP N N 15 118.030 0.3 . 1 . . . . . 194 ASP N . 52475 1
858 . 1 . 1 195 195 ASP H H 1 6.921 0.020 . 1 . . . . . 195 ASP H . 52475 1
859 . 1 . 1 195 195 ASP C C 13 177.665 0.3 . 1 . . . . . 195 ASP C . 52475 1
860 . 1 . 1 195 195 ASP CA C 13 56.033 0.3 . 1 . . . . . 195 ASP CA . 52475 1
861 . 1 . 1 195 195 ASP CB C 13 41.354 0.3 . 1 . . . . . 195 ASP CB . 52475 1
862 . 1 . 1 195 195 ASP N N 15 115.656 0.3 . 1 . . . . . 195 ASP N . 52475 1
863 . 1 . 1 196 196 PHE H H 1 8.376 0.020 . 1 . . . . . 196 PHE H . 52475 1
864 . 1 . 1 196 196 PHE C C 13 175.634 0.3 . 1 . . . . . 196 PHE C . 52475 1
865 . 1 . 1 196 196 PHE CA C 13 61.104 0.3 . 1 . . . . . 196 PHE CA . 52475 1
866 . 1 . 1 196 196 PHE CB C 13 38.418 0.3 . 1 . . . . . 196 PHE CB . 52475 1
867 . 1 . 1 196 196 PHE N N 15 120.449 0.3 . 1 . . . . . 196 PHE N . 52475 1
868 . 1 . 1 197 197 ILE H H 1 7.920 0.020 . 1 . . . . . 197 ILE H . 52475 1
869 . 1 . 1 197 197 ILE C C 13 175.519 0.3 . 1 . . . . . 197 ILE C . 52475 1
870 . 1 . 1 197 197 ILE CA C 13 60.482 0.3 . 1 . . . . . 197 ILE CA . 52475 1
871 . 1 . 1 197 197 ILE CB C 13 33.258 0.3 . 1 . . . . . 197 ILE CB . 52475 1
872 . 1 . 1 197 197 ILE N N 15 117.971 0.3 . 1 . . . . . 197 ILE N . 52475 1
873 . 1 . 1 198 198 GLN H H 1 7.998 0.020 . 1 . . . . . 198 GLN H . 52475 1
874 . 1 . 1 198 198 GLN C C 13 177.172 0.3 . 1 . . . . . 198 GLN C . 52475 1
875 . 1 . 1 198 198 GLN CA C 13 59.592 0.3 . 1 . . . . . 198 GLN CA . 52475 1
876 . 1 . 1 198 198 GLN CB C 13 27.298 0.3 . 1 . . . . . 198 GLN CB . 52475 1
877 . 1 . 1 198 198 GLN N N 15 118.786 0.3 . 1 . . . . . 198 GLN N . 52475 1
878 . 1 . 1 199 199 CYS H H 1 8.277 0.020 . 1 . . . . . 199 CYS H . 52475 1
879 . 1 . 1 199 199 CYS C C 13 176.554 0.3 . 1 . . . . . 199 CYS C . 52475 1
880 . 1 . 1 199 199 CYS CA C 13 61.282 0.3 . 1 . . . . . 199 CYS CA . 52475 1
881 . 1 . 1 199 199 CYS CB C 13 26.675 0.3 . 1 . . . . . 199 CYS CB . 52475 1
882 . 1 . 1 199 199 CYS N N 15 118.187 0.3 . 1 . . . . . 199 CYS N . 52475 1
883 . 1 . 1 200 200 VAL H H 1 7.839 0.020 . 1 . . . . . 200 VAL H . 52475 1
884 . 1 . 1 200 200 VAL C C 13 178.653 0.3 . 1 . . . . . 200 VAL C . 52475 1
885 . 1 . 1 200 200 VAL CA C 13 64.751 0.3 . 1 . . . . . 200 VAL CA . 52475 1
886 . 1 . 1 200 200 VAL CB C 13 29.628 0.3 . 1 . . . . . 200 VAL CB . 52475 1
887 . 1 . 1 200 200 VAL N N 15 113.816 0.3 . 1 . . . . . 200 VAL N . 52475 1
888 . 1 . 1 201 201 MET H H 1 8.277 0.020 . 1 . . . . . 201 MET H . 52475 1
889 . 1 . 1 201 201 MET C C 13 176.990 0.3 . 1 . . . . . 201 MET C . 52475 1
890 . 1 . 1 201 201 MET CA C 13 54.699 0.3 . 1 . . . . . 201 MET CA . 52475 1
891 . 1 . 1 201 201 MET CB C 13 28.988 0.3 . 1 . . . . . 201 MET CB . 52475 1
892 . 1 . 1 201 201 MET N N 15 116.054 0.3 . 1 . . . . . 201 MET N . 52475 1
893 . 1 . 1 202 202 SER H H 1 6.802 0.020 . 1 . . . . . 202 SER H . 52475 1
894 . 1 . 1 202 202 SER C C 13 172.778 0.3 . 1 . . . . . 202 SER C . 52475 1
895 . 1 . 1 202 202 SER CA C 13 59.503 0.3 . 1 . . . . . 202 SER CA . 52475 1
896 . 1 . 1 202 202 SER CB C 13 62.973 0.3 . 1 . . . . . 202 SER CB . 52475 1
897 . 1 . 1 202 202 SER N N 15 110.294 0.3 . 1 . . . . . 202 SER N . 52475 1
898 . 1 . 1 203 203 VAL H H 1 6.600 0.020 . 1 . . . . . 203 VAL H . 52475 1
899 . 1 . 1 203 203 VAL C C 13 179.640 0.3 . 1 . . . . . 203 VAL C . 52475 1
900 . 1 . 1 203 203 VAL CA C 13 64.752 0.3 . 1 . . . . . 203 VAL CA . 52475 1
901 . 1 . 1 203 203 VAL CB C 13 30.767 0.3 . 1 . . . . . 203 VAL CB . 52475 1
902 . 1 . 1 203 203 VAL N N 15 125.210 0.3 . 1 . . . . . 203 VAL N . 52475 1
stop_
save_