data_18095
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 18095
_Entry.Title
;
Solution NMR Structure of Lysine-specific demethylase lid from Drosophila melanogaster, Northeast Structural Genomics Consortium Target FR824D
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2011-11-18
_Entry.Accession_date 2011-11-18
_Entry.Last_release_date 2011-12-01
_Entry.Original_release_date 2011-12-01
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype 'SOLUTION NMR'
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Jeffrey Mills . L. . 18095
2 Dan Lee . . . 18095
3 Eitan Kohan . . . 18095
4 Seema Sahdev . . . 18095
5 T. Acton . B. . 18095
6 R. Xiao . . . 18095
7 J. Everett . K. . 18095
8 G. Montelione . T. . 18095
9 Thomas Szyperski . . . 18095
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 18095
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 18095
'Protein NMR' . 18095
'Protein Structure Initiative' . 18095
PSI-2 . 18095
'Structural Genomics' . 18095
'Target FR824D' . 18095
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 18095
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 464 18095
'15N chemical shifts' 112 18095
'1H chemical shifts' 748 18095
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2011-12-01 2011-11-18 original author . 18095
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2LM1 'BMRB Entry Tracking System' 18095
stop_
save_
###############
# Citations #
###############
save_citations
_Citation.Sf_category citations
_Citation.Sf_framecode citations
_Citation.Entry_ID 18095
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title 'Northeast Structural Genomics Consortium Target FR824D'
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'To be published'
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_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 .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Jeffrey Mills . L. . 18095 1
2 Dan Lee . . . 18095 1
3 Eitan Kohan . . . 18095 1
4 Seema Sahdev . . . 18095 1
5 T. Acton . B. . 18095 1
6 R. Xiao . . . 18095 1
7 J. Everett . K. . 18095 1
8 G. Montelione . T. . 18095 1
9 Thomas Szyperski . . . 18095 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 18095
_Assembly.ID 1
_Assembly.Name FR824D
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 FR824D 1 $FR824D A . yes native no no . . . 18095 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_FR824D
_Entity.Sf_category entity
_Entity.Sf_framecode FR824D
_Entity.Entry_ID 18095
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name FR824D
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
PRVQRLNELEAKTRVKLNFL
DQIAKFWELQGSSLKIPMVE
RKALDLYTLHRIVQEEGGME
QTTKDRKWAKVANRMQYPSS
KSVGATLKAHYERILHPFEV
YTSGKVL
;
_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 107
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 12493.614
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2LM1 . "Solution Nmr Structure Of Lysine-Specific Demethylase Lid From Drosophila Melanogaster, Northeast Structural Genomics Consortiu" . . . . . 100.00 107 100.00 100.00 4.30e-72 . . . . 18095 1
2 no GB AAF52319 . "little imaginal discs, isoform A [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1
3 no GB AAM11379 . "LD40310p [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1
4 no GB AAN10569 . "little imaginal discs, isoform B [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1
5 no GB AFH03582 . "little imaginal discs, isoform C [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1
6 no GB AFH03583 . "little imaginal discs, isoform D [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1
7 no REF NP_001245908 . "little imaginal discs, isoform C [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1
8 no REF NP_001245909 . "little imaginal discs, isoform D [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1
9 no REF NP_001245910 . "little imaginal discs, isoform E [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1
10 no REF NP_001285649 . "little imaginal discs, isoform F [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1
11 no REF NP_523486 . "little imaginal discs, isoform A [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1
12 no SP Q9VMJ7 . "RecName: Full=Lysine-specific demethylase lid; AltName: Full=Histone demethylase lid; AltName: Full=Jumonji/ARID domain-contain" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 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
1 214 PRO . 18095 1
2 215 ARG . 18095 1
3 216 VAL . 18095 1
4 217 GLN . 18095 1
5 218 ARG . 18095 1
6 219 LEU . 18095 1
7 220 ASN . 18095 1
8 221 GLU . 18095 1
9 222 LEU . 18095 1
10 223 GLU . 18095 1
11 224 ALA . 18095 1
12 225 LYS . 18095 1
13 226 THR . 18095 1
14 227 ARG . 18095 1
15 228 VAL . 18095 1
16 229 LYS . 18095 1
17 230 LEU . 18095 1
18 231 ASN . 18095 1
19 232 PHE . 18095 1
20 233 LEU . 18095 1
21 234 ASP . 18095 1
22 235 GLN . 18095 1
23 236 ILE . 18095 1
24 237 ALA . 18095 1
25 238 LYS . 18095 1
26 239 PHE . 18095 1
27 240 TRP . 18095 1
28 241 GLU . 18095 1
29 242 LEU . 18095 1
30 243 GLN . 18095 1
31 244 GLY . 18095 1
32 245 SER . 18095 1
33 246 SER . 18095 1
34 247 LEU . 18095 1
35 248 LYS . 18095 1
36 249 ILE . 18095 1
37 250 PRO . 18095 1
38 251 MET . 18095 1
39 252 VAL . 18095 1
40 253 GLU . 18095 1
41 254 ARG . 18095 1
42 255 LYS . 18095 1
43 256 ALA . 18095 1
44 257 LEU . 18095 1
45 258 ASP . 18095 1
46 259 LEU . 18095 1
47 260 TYR . 18095 1
48 261 THR . 18095 1
49 262 LEU . 18095 1
50 263 HIS . 18095 1
51 264 ARG . 18095 1
52 265 ILE . 18095 1
53 266 VAL . 18095 1
54 267 GLN . 18095 1
55 268 GLU . 18095 1
56 269 GLU . 18095 1
57 270 GLY . 18095 1
58 271 GLY . 18095 1
59 272 MET . 18095 1
60 273 GLU . 18095 1
61 274 GLN . 18095 1
62 275 THR . 18095 1
63 276 THR . 18095 1
64 277 LYS . 18095 1
65 278 ASP . 18095 1
66 279 ARG . 18095 1
67 280 LYS . 18095 1
68 281 TRP . 18095 1
69 282 ALA . 18095 1
70 283 LYS . 18095 1
71 284 VAL . 18095 1
72 285 ALA . 18095 1
73 286 ASN . 18095 1
74 287 ARG . 18095 1
75 288 MET . 18095 1
76 289 GLN . 18095 1
77 290 TYR . 18095 1
78 291 PRO . 18095 1
79 292 SER . 18095 1
80 293 SER . 18095 1
81 294 LYS . 18095 1
82 295 SER . 18095 1
83 296 VAL . 18095 1
84 297 GLY . 18095 1
85 298 ALA . 18095 1
86 299 THR . 18095 1
87 300 LEU . 18095 1
88 301 LYS . 18095 1
89 302 ALA . 18095 1
90 303 HIS . 18095 1
91 304 TYR . 18095 1
92 305 GLU . 18095 1
93 306 ARG . 18095 1
94 307 ILE . 18095 1
95 308 LEU . 18095 1
96 309 HIS . 18095 1
97 310 PRO . 18095 1
98 311 PHE . 18095 1
99 312 GLU . 18095 1
100 313 VAL . 18095 1
101 314 TYR . 18095 1
102 315 THR . 18095 1
103 316 SER . 18095 1
104 317 GLY . 18095 1
105 318 LYS . 18095 1
106 319 VAL . 18095 1
107 320 LEU . 18095 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
. PRO 1 1 18095 1
. ARG 2 2 18095 1
. VAL 3 3 18095 1
. GLN 4 4 18095 1
. ARG 5 5 18095 1
. LEU 6 6 18095 1
. ASN 7 7 18095 1
. GLU 8 8 18095 1
. LEU 9 9 18095 1
. GLU 10 10 18095 1
. ALA 11 11 18095 1
. LYS 12 12 18095 1
. THR 13 13 18095 1
. ARG 14 14 18095 1
. VAL 15 15 18095 1
. LYS 16 16 18095 1
. LEU 17 17 18095 1
. ASN 18 18 18095 1
. PHE 19 19 18095 1
. LEU 20 20 18095 1
. ASP 21 21 18095 1
. GLN 22 22 18095 1
. ILE 23 23 18095 1
. ALA 24 24 18095 1
. LYS 25 25 18095 1
. PHE 26 26 18095 1
. TRP 27 27 18095 1
. GLU 28 28 18095 1
. LEU 29 29 18095 1
. GLN 30 30 18095 1
. GLY 31 31 18095 1
. SER 32 32 18095 1
. SER 33 33 18095 1
. LEU 34 34 18095 1
. LYS 35 35 18095 1
. ILE 36 36 18095 1
. PRO 37 37 18095 1
. MET 38 38 18095 1
. VAL 39 39 18095 1
. GLU 40 40 18095 1
. ARG 41 41 18095 1
. LYS 42 42 18095 1
. ALA 43 43 18095 1
. LEU 44 44 18095 1
. ASP 45 45 18095 1
. LEU 46 46 18095 1
. TYR 47 47 18095 1
. THR 48 48 18095 1
. LEU 49 49 18095 1
. HIS 50 50 18095 1
. ARG 51 51 18095 1
. ILE 52 52 18095 1
. VAL 53 53 18095 1
. GLN 54 54 18095 1
. GLU 55 55 18095 1
. GLU 56 56 18095 1
. GLY 57 57 18095 1
. GLY 58 58 18095 1
. MET 59 59 18095 1
. GLU 60 60 18095 1
. GLN 61 61 18095 1
. THR 62 62 18095 1
. THR 63 63 18095 1
. LYS 64 64 18095 1
. ASP 65 65 18095 1
. ARG 66 66 18095 1
. LYS 67 67 18095 1
. TRP 68 68 18095 1
. ALA 69 69 18095 1
. LYS 70 70 18095 1
. VAL 71 71 18095 1
. ALA 72 72 18095 1
. ASN 73 73 18095 1
. ARG 74 74 18095 1
. MET 75 75 18095 1
. GLN 76 76 18095 1
. TYR 77 77 18095 1
. PRO 78 78 18095 1
. SER 79 79 18095 1
. SER 80 80 18095 1
. LYS 81 81 18095 1
. SER 82 82 18095 1
. VAL 83 83 18095 1
. GLY 84 84 18095 1
. ALA 85 85 18095 1
. THR 86 86 18095 1
. LEU 87 87 18095 1
. LYS 88 88 18095 1
. ALA 89 89 18095 1
. HIS 90 90 18095 1
. TYR 91 91 18095 1
. GLU 92 92 18095 1
. ARG 93 93 18095 1
. ILE 94 94 18095 1
. LEU 95 95 18095 1
. HIS 96 96 18095 1
. PRO 97 97 18095 1
. PHE 98 98 18095 1
. GLU 99 99 18095 1
. VAL 100 100 18095 1
. TYR 101 101 18095 1
. THR 102 102 18095 1
. SER 103 103 18095 1
. GLY 104 104 18095 1
. LYS 105 105 18095 1
. VAL 106 106 18095 1
. LEU 107 107 18095 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 18095
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $FR824D . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . lid . . . . 18095 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source
_Entity_experimental_src_list.Entry_ID 18095
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $FR824D . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . pET15Nano6HT_NESG . . . . . . 18095 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sampleNC
_Sample.Sf_category sample
_Sample.Sf_framecode sampleNC
_Sample.Entry_ID 18095
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '1.2 mM [U-100% 13C; U-100% 15N] FR824D, 95% H2O/5% D2O'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% 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 FR824D '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $FR824D . . 1.1 . . mM . . . . 18095 1
2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18095 1
3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18095 1
4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18095 1
5 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 18095 1
stop_
save_
save_sampleNC5
_Sample.Sf_category sample
_Sample.Sf_framecode sampleNC5
_Sample.Entry_ID 18095
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '1.3 mM [U-5% 13C; U-100% 15N] FR824D, 95% H2O/5% D2O'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '95% H2O/5% 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 FR824D '[U-5% 13C; U-100% 15N]' 1 $assembly 1 $FR824D . . 1.3 . . mM . . . . 18095 2
2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18095 2
3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18095 2
4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18095 2
5 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 18095 2
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 18095
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 6.5 . pH 18095 1
pressure 1 . atm 18095 1
temperature 298 . K 18095 1
stop_
save_
############################
# Computer software used #
############################
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 18095
_Software.ID 1
_Software.Name CNS
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18095 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'refinemen,structure solution,geometry optimization' 18095 1
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 18095
_Software.ID 2
_Software.Name CYANA
_Software.Version 3.0
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 18095 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'refinement,geometry optimization,structure solution' 18095 2
stop_
save_
save_AutoStructure
_Software.Sf_category software
_Software.Sf_framecode AutoStructure
_Software.Entry_ID 18095
_Software.ID 3
_Software.Name AutoStruct
_Software.Version 2.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Huang, Tejero, Powers and Montelione' . . 18095 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis,refinement' 18095 3
stop_
save_
save_AutoAssign
_Software.Sf_category software
_Software.Sf_framecode AutoAssign
_Software.Entry_ID 18095
_Software.ID 4
_Software.Name AutoAssign
_Software.Version 2.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Zimmerman, Moseley, Kulikowski and Montelione' . . 18095 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis,chemical shift assignment' 18095 4
stop_
save_
save_PROSA
_Software.Sf_category software
_Software.Sf_framecode PROSA
_Software.Entry_ID 18095
_Software.ID 5
_Software.Name PROSA
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Guntert . . 18095 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 18095 5
stop_
save_
save_CARA
_Software.Sf_category software
_Software.Sf_framecode CARA
_Software.Entry_ID 18095
_Software.ID 6
_Software.Name CARA
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Keller and Wuthrich' . . 18095 6
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis,peak picking,chemical shift assignment' 18095 6
stop_
save_
save_VNMRJ
_Software.Sf_category software
_Software.Sf_framecode VNMRJ
_Software.Entry_ID 18095
_Software.ID 7
_Software.Name VNMRJ
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Varian . . 18095 7
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 18095 7
stop_
save_
save_TALOS+
_Software.Sf_category software
_Software.Sf_framecode TALOS+
_Software.Entry_ID 18095
_Software.ID 8
_Software.Name TALOS+
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Shen, Cornilescu, Delaglio and Bax' . . 18095 8
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'geometry optimization' 18095 8
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 18095
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 750
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 18095
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 18095
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Varian INOVA . 750 . 1 $citations 18095 1
2 spectrometer_2 Varian INOVA . 600 . 1 $citations 18095 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 18095
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18095 1
2 '3D HNCO' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18095 1
3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18095 1
4 '3D HNCACB' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18095 1
5 '3D HCCH-COSY' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18095 1
6 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18095 1
7 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sampleNC5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18095 1
8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18095 1
9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18095 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 18095
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18095 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18095 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18095 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 18095
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 18095 1
6 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 18095 1
8 '2D 1H-13C HSQC aliphatic' . . . 18095 1
9 '2D 1H-13C HSQC aromatic' . . . 18095 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 PRO HA H 1 4.401 0.020 . 1 . . . . 214 PRO HA . 18095 1
2 . 1 1 1 1 PRO HB2 H 1 2.307 0.020 . 2 . . . . 214 PRO HB2 . 18095 1
3 . 1 1 1 1 PRO HB3 H 1 1.886 0.020 . 2 . . . . 214 PRO HB3 . 18095 1
4 . 1 1 1 1 PRO HG2 H 1 2.015 0.020 . 2 . . . . 214 PRO HG2 . 18095 1
5 . 1 1 1 1 PRO HG3 H 1 2.015 0.020 . 2 . . . . 214 PRO HG3 . 18095 1
6 . 1 1 1 1 PRO HD2 H 1 3.767 0.020 . 2 . . . . 214 PRO HD2 . 18095 1
7 . 1 1 1 1 PRO HD3 H 1 3.661 0.020 . 2 . . . . 214 PRO HD3 . 18095 1
8 . 1 1 1 1 PRO C C 13 176.659 0.300 . 1 . . . . 214 PRO C . 18095 1
9 . 1 1 1 1 PRO CA C 13 63.172 0.300 . 1 . . . . 214 PRO CA . 18095 1
10 . 1 1 1 1 PRO CB C 13 32.403 0.300 . 1 . . . . 214 PRO CB . 18095 1
11 . 1 1 1 1 PRO CG C 13 27.623 0.300 . 1 . . . . 214 PRO CG . 18095 1
12 . 1 1 1 1 PRO CD C 13 50.810 0.300 . 1 . . . . 214 PRO CD . 18095 1
13 . 1 1 2 2 ARG H H 1 8.454 0.020 . 1 . . . . 215 ARG H . 18095 1
14 . 1 1 2 2 ARG HA H 1 4.317 0.020 . 1 . . . . 215 ARG HA . 18095 1
15 . 1 1 2 2 ARG HB2 H 1 1.856 0.020 . 2 . . . . 215 ARG HB2 . 18095 1
16 . 1 1 2 2 ARG HB3 H 1 1.782 0.020 . 2 . . . . 215 ARG HB3 . 18095 1
17 . 1 1 2 2 ARG HG2 H 1 1.628 0.020 . 2 . . . . 215 ARG HG2 . 18095 1
18 . 1 1 2 2 ARG HG3 H 1 1.628 0.020 . 2 . . . . 215 ARG HG3 . 18095 1
19 . 1 1 2 2 ARG HD2 H 1 3.208 0.020 . 2 . . . . 215 ARG HD2 . 18095 1
20 . 1 1 2 2 ARG HD3 H 1 1.598 0.020 . 2 . . . . 215 ARG HD3 . 18095 1
21 . 1 1 2 2 ARG C C 13 176.613 0.300 . 1 . . . . 215 ARG C . 18095 1
22 . 1 1 2 2 ARG CA C 13 56.297 0.300 . 1 . . . . 215 ARG CA . 18095 1
23 . 1 1 2 2 ARG CB C 13 30.757 0.300 . 1 . . . . 215 ARG CB . 18095 1
24 . 1 1 2 2 ARG CG C 13 27.063 0.300 . 1 . . . . 215 ARG CG . 18095 1
25 . 1 1 2 2 ARG CD C 13 43.387 0.300 . 1 . . . . 215 ARG CD . 18095 1
26 . 1 1 2 2 ARG N N 15 121.645 0.300 . 1 . . . . 215 ARG N . 18095 1
27 . 1 1 3 3 VAL H H 1 8.260 0.020 . 1 . . . . 216 VAL H . 18095 1
28 . 1 1 3 3 VAL HA H 1 4.077 0.020 . 1 . . . . 216 VAL HA . 18095 1
29 . 1 1 3 3 VAL HB H 1 2.034 0.020 . 1 . . . . 216 VAL HB . 18095 1
30 . 1 1 3 3 VAL HG11 H 1 0.916 0.020 . 2 . . . . 216 VAL HG11 . 18095 1
31 . 1 1 3 3 VAL HG12 H 1 0.916 0.020 . 2 . . . . 216 VAL HG12 . 18095 1
32 . 1 1 3 3 VAL HG13 H 1 0.916 0.020 . 2 . . . . 216 VAL HG13 . 18095 1
33 . 1 1 3 3 VAL HG21 H 1 0.916 0.020 . 2 . . . . 216 VAL HG21 . 18095 1
34 . 1 1 3 3 VAL HG22 H 1 0.916 0.020 . 2 . . . . 216 VAL HG22 . 18095 1
35 . 1 1 3 3 VAL HG23 H 1 0.916 0.020 . 2 . . . . 216 VAL HG23 . 18095 1
36 . 1 1 3 3 VAL C C 13 175.995 0.300 . 1 . . . . 216 VAL C . 18095 1
37 . 1 1 3 3 VAL CA C 13 62.586 0.300 . 1 . . . . 216 VAL CA . 18095 1
38 . 1 1 3 3 VAL CB C 13 32.944 0.300 . 1 . . . . 216 VAL CB . 18095 1
39 . 1 1 3 3 VAL CG1 C 13 20.808 0.300 . 1 . . . . 216 VAL CG1 . 18095 1
40 . 1 1 3 3 VAL N N 15 122.062 0.300 . 1 . . . . 216 VAL N . 18095 1
41 . 1 1 4 4 GLN H H 1 8.472 0.020 . 1 . . . . 217 GLN H . 18095 1
42 . 1 1 4 4 GLN HA H 1 4.313 0.020 . 1 . . . . 217 GLN HA . 18095 1
43 . 1 1 4 4 GLN HB2 H 1 2.057 0.020 . 2 . . . . 217 GLN HB2 . 18095 1
44 . 1 1 4 4 GLN HB3 H 1 1.982 0.020 . 2 . . . . 217 GLN HB3 . 18095 1
45 . 1 1 4 4 GLN HG2 H 1 2.383 0.020 . 2 . . . . 217 GLN HG2 . 18095 1
46 . 1 1 4 4 GLN HG3 H 1 2.383 0.020 . 2 . . . . 217 GLN HG3 . 18095 1
47 . 1 1 4 4 GLN HE21 H 1 7.920 0.020 . 2 . . . . 217 GLN HE21 . 18095 1
48 . 1 1 4 4 GLN HE22 H 1 6.790 0.020 . 2 . . . . 217 GLN HE22 . 18095 1
49 . 1 1 4 4 GLN C C 13 175.875 0.300 . 1 . . . . 217 GLN C . 18095 1
50 . 1 1 4 4 GLN CA C 13 55.957 0.300 . 1 . . . . 217 GLN CA . 18095 1
51 . 1 1 4 4 GLN CB C 13 29.771 0.300 . 1 . . . . 217 GLN CB . 18095 1
52 . 1 1 4 4 GLN CG C 13 33.518 0.300 . 1 . . . . 217 GLN CG . 18095 1
53 . 1 1 4 4 GLN N N 15 124.542 0.300 . 1 . . . . 217 GLN N . 18095 1
54 . 1 1 4 4 GLN NE2 N 15 114.031 0.300 . 1 . . . . 217 GLN NE2 . 18095 1
55 . 1 1 5 5 ARG H H 1 8.433 0.020 . 1 . . . . 218 ARG H . 18095 1
56 . 1 1 5 5 ARG HA H 1 4.320 0.020 . 1 . . . . 218 ARG HA . 18095 1
57 . 1 1 5 5 ARG HB2 H 1 1.850 0.020 . 2 . . . . 218 ARG HB2 . 18095 1
58 . 1 1 5 5 ARG HB3 H 1 1.791 0.020 . 2 . . . . 218 ARG HB3 . 18095 1
59 . 1 1 5 5 ARG HG2 H 1 1.625 0.020 . 2 . . . . 218 ARG HG2 . 18095 1
60 . 1 1 5 5 ARG HG3 H 1 1.625 0.020 . 2 . . . . 218 ARG HG3 . 18095 1
61 . 1 1 5 5 ARG HD2 H 1 3.208 0.020 . 2 . . . . 218 ARG HD2 . 18095 1
62 . 1 1 5 5 ARG HD3 H 1 3.208 0.020 . 2 . . . . 218 ARG HD3 . 18095 1
63 . 1 1 5 5 ARG C C 13 176.474 0.300 . 1 . . . . 218 ARG C . 18095 1
64 . 1 1 5 5 ARG CA C 13 56.180 0.300 . 1 . . . . 218 ARG CA . 18095 1
65 . 1 1 5 5 ARG CB C 13 30.737 0.300 . 1 . . . . 218 ARG CB . 18095 1
66 . 1 1 5 5 ARG CG C 13 27.063 0.300 . 1 . . . . 218 ARG CG . 18095 1
67 . 1 1 5 5 ARG CD C 13 43.252 0.300 . 1 . . . . 218 ARG CD . 18095 1
68 . 1 1 5 5 ARG N N 15 122.742 0.300 . 1 . . . . 218 ARG N . 18095 1
69 . 1 1 6 6 LEU H H 1 8.339 0.020 . 1 . . . . 219 LEU H . 18095 1
70 . 1 1 6 6 LEU HA H 1 4.299 0.020 . 1 . . . . 219 LEU HA . 18095 1
71 . 1 1 6 6 LEU HB2 H 1 1.658 0.020 . 2 . . . . 219 LEU HB2 . 18095 1
72 . 1 1 6 6 LEU HB3 H 1 1.591 0.020 . 2 . . . . 219 LEU HB3 . 18095 1
73 . 1 1 6 6 LEU HG H 1 1.671 0.020 . 1 . . . . 219 LEU HG . 18095 1
74 . 1 1 6 6 LEU HD11 H 1 0.924 0.020 . 2 . . . . 219 LEU HD11 . 18095 1
75 . 1 1 6 6 LEU HD12 H 1 0.924 0.020 . 2 . . . . 219 LEU HD12 . 18095 1
76 . 1 1 6 6 LEU HD13 H 1 0.924 0.020 . 2 . . . . 219 LEU HD13 . 18095 1
77 . 1 1 6 6 LEU HD21 H 1 0.870 0.020 . 2 . . . . 219 LEU HD21 . 18095 1
78 . 1 1 6 6 LEU HD22 H 1 0.870 0.020 . 2 . . . . 219 LEU HD22 . 18095 1
79 . 1 1 6 6 LEU HD23 H 1 0.870 0.020 . 2 . . . . 219 LEU HD23 . 18095 1
80 . 1 1 6 6 LEU C C 13 177.498 0.300 . 1 . . . . 219 LEU C . 18095 1
81 . 1 1 6 6 LEU CA C 13 56.018 0.300 . 1 . . . . 219 LEU CA . 18095 1
82 . 1 1 6 6 LEU CB C 13 42.167 0.300 . 1 . . . . 219 LEU CB . 18095 1
83 . 1 1 6 6 LEU CG C 13 27.148 0.300 . 1 . . . . 219 LEU CG . 18095 1
84 . 1 1 6 6 LEU CD1 C 13 24.971 0.300 . 1 . . . . 219 LEU CD1 . 18095 1
85 . 1 1 6 6 LEU CD2 C 13 23.669 0.300 . 1 . . . . 219 LEU CD2 . 18095 1
86 . 1 1 6 6 LEU N N 15 123.164 0.300 . 1 . . . . 219 LEU N . 18095 1
87 . 1 1 7 7 ASN H H 1 8.541 0.020 . 1 . . . . 220 ASN H . 18095 1
88 . 1 1 7 7 ASN HA H 1 4.623 0.020 . 1 . . . . 220 ASN HA . 18095 1
89 . 1 1 7 7 ASN HB2 H 1 2.860 0.020 . 2 . . . . 220 ASN HB2 . 18095 1
90 . 1 1 7 7 ASN HB3 H 1 2.860 0.020 . 2 . . . . 220 ASN HB3 . 18095 1
91 . 1 1 7 7 ASN HD21 H 1 7.654 0.020 . 2 . . . . 220 ASN HD21 . 18095 1
92 . 1 1 7 7 ASN HD22 H 1 6.950 0.020 . 2 . . . . 220 ASN HD22 . 18095 1
93 . 1 1 7 7 ASN C C 13 175.856 0.300 . 1 . . . . 220 ASN C . 18095 1
94 . 1 1 7 7 ASN CA C 13 53.804 0.300 . 1 . . . . 220 ASN CA . 18095 1
95 . 1 1 7 7 ASN CB C 13 38.545 0.300 . 1 . . . . 220 ASN CB . 18095 1
96 . 1 1 7 7 ASN N N 15 119.025 0.300 . 1 . . . . 220 ASN N . 18095 1
97 . 1 1 7 7 ASN ND2 N 15 112.636 0.300 . 1 . . . . 220 ASN ND2 . 18095 1
98 . 1 1 8 8 GLU H H 1 8.380 0.020 . 1 . . . . 221 GLU H . 18095 1
99 . 1 1 8 8 GLU HA H 1 4.176 0.020 . 1 . . . . 221 GLU HA . 18095 1
100 . 1 1 8 8 GLU HB2 H 1 2.058 0.020 . 2 . . . . 221 GLU HB2 . 18095 1
101 . 1 1 8 8 GLU HB3 H 1 2.058 0.020 . 2 . . . . 221 GLU HB3 . 18095 1
102 . 1 1 8 8 GLU HG2 H 1 2.273 0.020 . 2 . . . . 221 GLU HG2 . 18095 1
103 . 1 1 8 8 GLU HG3 H 1 2.273 0.020 . 2 . . . . 221 GLU HG3 . 18095 1
104 . 1 1 8 8 GLU C C 13 177.424 0.300 . 1 . . . . 221 GLU C . 18095 1
105 . 1 1 8 8 GLU CA C 13 58.212 0.300 . 1 . . . . 221 GLU CA . 18095 1
106 . 1 1 8 8 GLU CB C 13 29.971 0.300 . 1 . . . . 221 GLU CB . 18095 1
107 . 1 1 8 8 GLU CG C 13 36.335 0.300 . 1 . . . . 221 GLU CG . 18095 1
108 . 1 1 8 8 GLU N N 15 121.112 0.300 . 1 . . . . 221 GLU N . 18095 1
109 . 1 1 9 9 LEU H H 1 8.114 0.020 . 1 . . . . 222 LEU H . 18095 1
110 . 1 1 9 9 LEU HA H 1 4.224 0.020 . 1 . . . . 222 LEU HA . 18095 1
111 . 1 1 9 9 LEU HB2 H 1 1.742 0.020 . 2 . . . . 222 LEU HB2 . 18095 1
112 . 1 1 9 9 LEU HB3 H 1 1.659 0.020 . 2 . . . . 222 LEU HB3 . 18095 1
113 . 1 1 9 9 LEU HG H 1 1.206 0.020 . 1 . . . . 222 LEU HG . 18095 1
114 . 1 1 9 9 LEU HD11 H 1 0.893 0.020 . 2 . . . . 222 LEU HD11 . 18095 1
115 . 1 1 9 9 LEU HD12 H 1 0.893 0.020 . 2 . . . . 222 LEU HD12 . 18095 1
116 . 1 1 9 9 LEU HD13 H 1 0.893 0.020 . 2 . . . . 222 LEU HD13 . 18095 1
117 . 1 1 9 9 LEU HD21 H 1 0.873 0.020 . 2 . . . . 222 LEU HD21 . 18095 1
118 . 1 1 9 9 LEU HD22 H 1 0.873 0.020 . 2 . . . . 222 LEU HD22 . 18095 1
119 . 1 1 9 9 LEU HD23 H 1 0.873 0.020 . 2 . . . . 222 LEU HD23 . 18095 1
120 . 1 1 9 9 LEU C C 13 178.770 0.300 . 1 . . . . 222 LEU C . 18095 1
121 . 1 1 9 9 LEU CA C 13 56.860 0.300 . 1 . . . . 222 LEU CA . 18095 1
122 . 1 1 9 9 LEU CB C 13 42.070 0.300 . 1 . . . . 222 LEU CB . 18095 1
123 . 1 1 9 9 LEU CG C 13 27.197 0.300 . 1 . . . . 222 LEU CG . 18095 1
124 . 1 1 9 9 LEU CD1 C 13 24.635 0.300 . 1 . . . . 222 LEU CD1 . 18095 1
125 . 1 1 9 9 LEU CD2 C 13 23.687 0.300 . 1 . . . . 222 LEU CD2 . 18095 1
126 . 1 1 9 9 LEU N N 15 121.204 0.300 . 1 . . . . 222 LEU N . 18095 1
127 . 1 1 10 10 GLU H H 1 8.301 0.020 . 1 . . . . 223 GLU H . 18095 1
128 . 1 1 10 10 GLU HA H 1 4.164 0.020 . 1 . . . . 223 GLU HA . 18095 1
129 . 1 1 10 10 GLU HB2 H 1 2.063 0.020 . 2 . . . . 223 GLU HB2 . 18095 1
130 . 1 1 10 10 GLU HB3 H 1 2.063 0.020 . 2 . . . . 223 GLU HB3 . 18095 1
131 . 1 1 10 10 GLU HG2 H 1 2.225 0.020 . 2 . . . . 223 GLU HG2 . 18095 1
132 . 1 1 10 10 GLU HG3 H 1 2.225 0.020 . 2 . . . . 223 GLU HG3 . 18095 1
133 . 1 1 10 10 GLU C C 13 177.894 0.300 . 1 . . . . 223 GLU C . 18095 1
134 . 1 1 10 10 GLU CA C 13 58.261 0.300 . 1 . . . . 223 GLU CA . 18095 1
135 . 1 1 10 10 GLU CB C 13 29.909 0.300 . 1 . . . . 223 GLU CB . 18095 1
136 . 1 1 10 10 GLU CG C 13 36.335 0.300 . 1 . . . . 223 GLU CG . 18095 1
137 . 1 1 10 10 GLU N N 15 121.068 0.300 . 1 . . . . 223 GLU N . 18095 1
138 . 1 1 11 11 ALA H H 1 8.276 0.020 . 1 . . . . 224 ALA H . 18095 1
139 . 1 1 11 11 ALA HA H 1 4.136 0.020 . 1 . . . . 224 ALA HA . 18095 1
140 . 1 1 11 11 ALA HB1 H 1 1.468 0.020 . 1 . . . . 224 ALA HB1 . 18095 1
141 . 1 1 11 11 ALA HB2 H 1 1.468 0.020 . 1 . . . . 224 ALA HB2 . 18095 1
142 . 1 1 11 11 ALA HB3 H 1 1.468 0.020 . 1 . . . . 224 ALA HB3 . 18095 1
143 . 1 1 11 11 ALA C C 13 179.434 0.300 . 1 . . . . 224 ALA C . 18095 1
144 . 1 1 11 11 ALA CA C 13 54.749 0.300 . 1 . . . . 224 ALA CA . 18095 1
145 . 1 1 11 11 ALA CB C 13 18.823 0.300 . 1 . . . . 224 ALA CB . 18095 1
146 . 1 1 11 11 ALA N N 15 123.492 0.300 . 1 . . . . 224 ALA N . 18095 1
147 . 1 1 12 12 LYS H H 1 8.203 0.020 . 1 . . . . 225 LYS H . 18095 1
148 . 1 1 12 12 LYS HA H 1 4.151 0.020 . 1 . . . . 225 LYS HA . 18095 1
149 . 1 1 12 12 LYS HB2 H 1 2.314 0.020 . 2 . . . . 225 LYS HB2 . 18095 1
150 . 1 1 12 12 LYS HB3 H 1 2.034 0.020 . 2 . . . . 225 LYS HB3 . 18095 1
151 . 1 1 12 12 LYS HG2 H 1 1.597 0.020 . 2 . . . . 225 LYS HG2 . 18095 1
152 . 1 1 12 12 LYS HG3 H 1 1.497 0.020 . 2 . . . . 225 LYS HG3 . 18095 1
153 . 1 1 12 12 LYS HD2 H 1 1.705 0.020 . 2 . . . . 225 LYS HD2 . 18095 1
154 . 1 1 12 12 LYS HD3 H 1 1.705 0.020 . 2 . . . . 225 LYS HD3 . 18095 1
155 . 1 1 12 12 LYS HE2 H 1 3.007 0.020 . 2 . . . . 225 LYS HE2 . 18095 1
156 . 1 1 12 12 LYS HE3 H 1 3.007 0.020 . 2 . . . . 225 LYS HE3 . 18095 1
157 . 1 1 12 12 LYS C C 13 178.448 0.300 . 1 . . . . 225 LYS C . 18095 1
158 . 1 1 12 12 LYS CA C 13 58.330 0.300 . 1 . . . . 225 LYS CA . 18095 1
159 . 1 1 12 12 LYS CB C 13 32.392 0.300 . 1 . . . . 225 LYS CB . 18095 1
160 . 1 1 12 12 LYS CG C 13 25.404 0.300 . 1 . . . . 225 LYS CG . 18095 1
161 . 1 1 12 12 LYS CD C 13 28.962 0.300 . 1 . . . . 225 LYS CD . 18095 1
162 . 1 1 12 12 LYS CE C 13 42.239 0.300 . 1 . . . . 225 LYS CE . 18095 1
163 . 1 1 12 12 LYS N N 15 117.881 0.300 . 1 . . . . 225 LYS N . 18095 1
164 . 1 1 13 13 THR H H 1 7.959 0.020 . 1 . . . . 226 THR H . 18095 1
165 . 1 1 13 13 THR HA H 1 4.003 0.020 . 1 . . . . 226 THR HA . 18095 1
166 . 1 1 13 13 THR HB H 1 4.299 0.020 . 1 . . . . 226 THR HB . 18095 1
167 . 1 1 13 13 THR HG21 H 1 1.261 0.020 . 1 . . . . 226 THR HG21 . 18095 1
168 . 1 1 13 13 THR HG22 H 1 1.261 0.020 . 1 . . . . 226 THR HG22 . 18095 1
169 . 1 1 13 13 THR HG23 H 1 1.261 0.020 . 1 . . . . 226 THR HG23 . 18095 1
170 . 1 1 13 13 THR C C 13 175.441 0.300 . 1 . . . . 226 THR C . 18095 1
171 . 1 1 13 13 THR CA C 13 65.118 0.300 . 1 . . . . 226 THR CA . 18095 1
172 . 1 1 13 13 THR CB C 13 69.153 0.300 . 1 . . . . 226 THR CB . 18095 1
173 . 1 1 13 13 THR CG2 C 13 22.154 0.300 . 1 . . . . 226 THR CG2 . 18095 1
174 . 1 1 13 13 THR N N 15 115.404 0.300 . 1 . . . . 226 THR N . 18095 1
175 . 1 1 14 14 ARG H H 1 8.145 0.020 . 1 . . . . 227 ARG H . 18095 1
176 . 1 1 14 14 ARG HA H 1 4.033 0.020 . 1 . . . . 227 ARG HA . 18095 1
177 . 1 1 14 14 ARG HB2 H 1 1.923 0.020 . 2 . . . . 227 ARG HB2 . 18095 1
178 . 1 1 14 14 ARG HB3 H 1 1.923 0.020 . 2 . . . . 227 ARG HB3 . 18095 1
179 . 1 1 14 14 ARG HG2 H 1 1.709 0.020 . 2 . . . . 227 ARG HG2 . 18095 1
180 . 1 1 14 14 ARG HG3 H 1 1.709 0.020 . 2 . . . . 227 ARG HG3 . 18095 1
181 . 1 1 14 14 ARG HD2 H 1 3.208 0.020 . 2 . . . . 227 ARG HD2 . 18095 1
182 . 1 1 14 14 ARG HD3 H 1 3.208 0.020 . 2 . . . . 227 ARG HD3 . 18095 1
183 . 1 1 14 14 ARG C C 13 177.913 0.300 . 1 . . . . 227 ARG C . 18095 1
184 . 1 1 14 14 ARG CA C 13 58.826 0.300 . 1 . . . . 227 ARG CA . 18095 1
185 . 1 1 14 14 ARG CB C 13 29.964 0.300 . 1 . . . . 227 ARG CB . 18095 1
186 . 1 1 14 14 ARG CG C 13 27.137 0.300 . 1 . . . . 227 ARG CG . 18095 1
187 . 1 1 14 14 ARG CD C 13 43.252 0.300 . 1 . . . . 227 ARG CD . 18095 1
188 . 1 1 14 14 ARG N N 15 121.500 0.300 . 1 . . . . 227 ARG N . 18095 1
189 . 1 1 15 15 VAL H H 1 7.693 0.020 . 1 . . . . 228 VAL H . 18095 1
190 . 1 1 15 15 VAL HA H 1 3.789 0.020 . 1 . . . . 228 VAL HA . 18095 1
191 . 1 1 15 15 VAL HB H 1 2.072 0.020 . 1 . . . . 228 VAL HB . 18095 1
192 . 1 1 15 15 VAL HG11 H 1 1.069 0.020 . 2 . . . . 228 VAL HG11 . 18095 1
193 . 1 1 15 15 VAL HG12 H 1 1.069 0.020 . 2 . . . . 228 VAL HG12 . 18095 1
194 . 1 1 15 15 VAL HG13 H 1 1.069 0.020 . 2 . . . . 228 VAL HG13 . 18095 1
195 . 1 1 15 15 VAL HG21 H 1 0.958 0.020 . 2 . . . . 228 VAL HG21 . 18095 1
196 . 1 1 15 15 VAL HG22 H 1 0.958 0.020 . 2 . . . . 228 VAL HG22 . 18095 1
197 . 1 1 15 15 VAL HG23 H 1 0.958 0.020 . 2 . . . . 228 VAL HG23 . 18095 1
198 . 1 1 15 15 VAL C C 13 178.217 0.300 . 1 . . . . 228 VAL C . 18095 1
199 . 1 1 15 15 VAL CA C 13 65.835 0.300 . 1 . . . . 228 VAL CA . 18095 1
200 . 1 1 15 15 VAL CB C 13 31.967 0.300 . 1 . . . . 228 VAL CB . 18095 1
201 . 1 1 15 15 VAL CG1 C 13 22.007 0.300 . 1 . . . . 228 VAL CG1 . 18095 1
202 . 1 1 15 15 VAL CG2 C 13 21.028 0.300 . 1 . . . . 228 VAL CG2 . 18095 1
203 . 1 1 15 15 VAL N N 15 118.424 0.300 . 1 . . . . 228 VAL N . 18095 1
204 . 1 1 16 16 LYS H H 1 7.452 0.020 . 1 . . . . 229 LYS H . 18095 1
205 . 1 1 16 16 LYS HA H 1 3.388 0.020 . 1 . . . . 229 LYS HA . 18095 1
206 . 1 1 16 16 LYS HB2 H 1 1.752 0.020 . 2 . . . . 229 LYS HB2 . 18095 1
207 . 1 1 16 16 LYS HB3 H 1 1.479 0.020 . 2 . . . . 229 LYS HB3 . 18095 1
208 . 1 1 16 16 LYS HG2 H 1 1.192 0.020 . 2 . . . . 229 LYS HG2 . 18095 1
209 . 1 1 16 16 LYS HG3 H 1 0.924 0.020 . 2 . . . . 229 LYS HG3 . 18095 1
210 . 1 1 16 16 LYS HD2 H 1 1.674 0.020 . 2 . . . . 229 LYS HD2 . 18095 1
211 . 1 1 16 16 LYS HD3 H 1 1.674 0.020 . 2 . . . . 229 LYS HD3 . 18095 1
212 . 1 1 16 16 LYS HE2 H 1 3.010 0.020 . 2 . . . . 229 LYS HE2 . 18095 1
213 . 1 1 16 16 LYS HE3 H 1 3.010 0.020 . 2 . . . . 229 LYS HE3 . 18095 1
214 . 1 1 16 16 LYS C C 13 177.968 0.300 . 1 . . . . 229 LYS C . 18095 1
215 . 1 1 16 16 LYS CA C 13 59.579 0.300 . 1 . . . . 229 LYS CA . 18095 1
216 . 1 1 16 16 LYS CB C 13 32.353 0.300 . 1 . . . . 229 LYS CB . 18095 1
217 . 1 1 16 16 LYS CG C 13 25.009 0.300 . 1 . . . . 229 LYS CG . 18095 1
218 . 1 1 16 16 LYS CD C 13 29.786 0.300 . 1 . . . . 229 LYS CD . 18095 1
219 . 1 1 16 16 LYS CE C 13 42.001 0.300 . 1 . . . . 229 LYS CE . 18095 1
220 . 1 1 16 16 LYS N N 15 121.690 0.300 . 1 . . . . 229 LYS N . 18095 1
221 . 1 1 17 17 LEU H H 1 8.124 0.020 . 1 . . . . 230 LEU H . 18095 1
222 . 1 1 17 17 LEU HA H 1 4.081 0.020 . 1 . . . . 230 LEU HA . 18095 1
223 . 1 1 17 17 LEU HB2 H 1 1.965 0.020 . 1 . . . . 230 LEU HB2 . 18095 1
224 . 1 1 17 17 LEU HB3 H 1 1.590 0.020 . 1 . . . . 230 LEU HB3 . 18095 1
225 . 1 1 17 17 LEU HG H 1 2.066 0.020 . 1 . . . . 230 LEU HG . 18095 1
226 . 1 1 17 17 LEU HD11 H 1 1.031 0.020 . 2 . . . . 230 LEU HD11 . 18095 1
227 . 1 1 17 17 LEU HD12 H 1 1.031 0.020 . 2 . . . . 230 LEU HD12 . 18095 1
228 . 1 1 17 17 LEU HD13 H 1 1.031 0.020 . 2 . . . . 230 LEU HD13 . 18095 1
229 . 1 1 17 17 LEU HD21 H 1 1.070 0.020 . 2 . . . . 230 LEU HD21 . 18095 1
230 . 1 1 17 17 LEU HD22 H 1 1.070 0.020 . 2 . . . . 230 LEU HD22 . 18095 1
231 . 1 1 17 17 LEU HD23 H 1 1.070 0.020 . 2 . . . . 230 LEU HD23 . 18095 1
232 . 1 1 17 17 LEU C C 13 179.711 0.300 . 1 . . . . 230 LEU C . 18095 1
233 . 1 1 17 17 LEU CA C 13 57.723 0.300 . 1 . . . . 230 LEU CA . 18095 1
234 . 1 1 17 17 LEU CB C 13 41.559 0.300 . 1 . . . . 230 LEU CB . 18095 1
235 . 1 1 17 17 LEU CG C 13 27.063 0.300 . 1 . . . . 230 LEU CG . 18095 1
236 . 1 1 17 17 LEU CD1 C 13 25.224 0.300 . 1 . . . . 230 LEU CD1 . 18095 1
237 . 1 1 17 17 LEU CD2 C 13 22.942 0.300 . 1 . . . . 230 LEU CD2 . 18095 1
238 . 1 1 17 17 LEU N N 15 118.811 0.300 . 1 . . . . 230 LEU N . 18095 1
239 . 1 1 18 18 ASN H H 1 8.471 0.020 . 1 . . . . 231 ASN H . 18095 1
240 . 1 1 18 18 ASN HA H 1 4.541 0.020 . 1 . . . . 231 ASN HA . 18095 1
241 . 1 1 18 18 ASN HB2 H 1 2.941 0.020 . 2 . . . . 231 ASN HB2 . 18095 1
242 . 1 1 18 18 ASN HB3 H 1 2.889 0.020 . 2 . . . . 231 ASN HB3 . 18095 1
243 . 1 1 18 18 ASN HD21 H 1 7.817 0.020 . 2 . . . . 231 ASN HD21 . 18095 1
244 . 1 1 18 18 ASN HD22 H 1 6.989 0.020 . 2 . . . . 231 ASN HD22 . 18095 1
245 . 1 1 18 18 ASN C C 13 177.175 0.300 . 1 . . . . 231 ASN C . 18095 1
246 . 1 1 18 18 ASN CA C 13 55.957 0.300 . 1 . . . . 231 ASN CA . 18095 1
247 . 1 1 18 18 ASN CB C 13 38.407 0.300 . 1 . . . . 231 ASN CB . 18095 1
248 . 1 1 18 18 ASN N N 15 118.210 0.300 . 1 . . . . 231 ASN N . 18095 1
249 . 1 1 18 18 ASN ND2 N 15 112.219 0.300 . 1 . . . . 231 ASN ND2 . 18095 1
250 . 1 1 19 19 PHE H H 1 7.995 0.020 . 1 . . . . 232 PHE H . 18095 1
251 . 1 1 19 19 PHE HA H 1 4.276 0.020 . 1 . . . . 232 PHE HA . 18095 1
252 . 1 1 19 19 PHE HB2 H 1 3.409 0.020 . 2 . . . . 232 PHE HB2 . 18095 1
253 . 1 1 19 19 PHE HB3 H 1 3.369 0.020 . 2 . . . . 232 PHE HB3 . 18095 1
254 . 1 1 19 19 PHE HD1 H 1 7.250 0.020 . 1 . . . . 232 PHE HD1 . 18095 1
255 . 1 1 19 19 PHE HD2 H 1 7.250 0.020 . 1 . . . . 232 PHE HD2 . 18095 1
256 . 1 1 19 19 PHE C C 13 176.078 0.300 . 1 . . . . 232 PHE C . 18095 1
257 . 1 1 19 19 PHE CA C 13 61.899 0.300 . 1 . . . . 232 PHE CA . 18095 1
258 . 1 1 19 19 PHE CB C 13 39.803 0.300 . 1 . . . . 232 PHE CB . 18095 1
259 . 1 1 19 19 PHE CD1 C 13 131.976 0.300 . 1 . . . . 232 PHE CD1 . 18095 1
260 . 1 1 19 19 PHE N N 15 121.787 0.300 . 1 . . . . 232 PHE N . 18095 1
261 . 1 1 20 20 LEU H H 1 8.301 0.020 . 1 . . . . 233 LEU H . 18095 1
262 . 1 1 20 20 LEU HA H 1 4.062 0.020 . 1 . . . . 233 LEU HA . 18095 1
263 . 1 1 20 20 LEU HB2 H 1 1.735 0.020 . 2 . . . . 233 LEU HB2 . 18095 1
264 . 1 1 20 20 LEU HB3 H 1 1.525 0.020 . 2 . . . . 233 LEU HB3 . 18095 1
265 . 1 1 20 20 LEU C C 13 177.802 0.300 . 1 . . . . 233 LEU C . 18095 1
266 . 1 1 20 20 LEU CA C 13 57.447 0.300 . 1 . . . . 233 LEU CA . 18095 1
267 . 1 1 20 20 LEU CB C 13 41.709 0.300 . 1 . . . . 233 LEU CB . 18095 1
268 . 1 1 20 20 LEU CG C 13 26.990 0.300 . 1 . . . . 233 LEU CG . 18095 1
269 . 1 1 20 20 LEU CD1 C 13 24.802 0.300 . 1 . . . . 233 LEU CD1 . 18095 1
270 . 1 1 20 20 LEU CD2 C 13 23.257 0.300 . 1 . . . . 233 LEU CD2 . 18095 1
271 . 1 1 20 20 LEU N N 15 118.634 0.300 . 1 . . . . 233 LEU N . 18095 1
272 . 1 1 21 21 ASP H H 1 8.186 0.020 . 1 . . . . 234 ASP H . 18095 1
273 . 1 1 21 21 ASP HA H 1 4.431 0.020 . 1 . . . . 234 ASP HA . 18095 1
274 . 1 1 21 21 ASP HB2 H 1 2.854 0.020 . 2 . . . . 234 ASP HB2 . 18095 1
275 . 1 1 21 21 ASP HB3 H 1 2.742 0.020 . 2 . . . . 234 ASP HB3 . 18095 1
276 . 1 1 21 21 ASP C C 13 178.595 0.300 . 1 . . . . 234 ASP C . 18095 1
277 . 1 1 21 21 ASP CA C 13 57.505 0.300 . 1 . . . . 234 ASP CA . 18095 1
278 . 1 1 21 21 ASP CB C 13 41.507 0.300 . 1 . . . . 234 ASP CB . 18095 1
279 . 1 1 21 21 ASP N N 15 119.355 0.300 . 1 . . . . 234 ASP N . 18095 1
280 . 1 1 22 22 GLN H H 1 7.985 0.020 . 1 . . . . 235 GLN H . 18095 1
281 . 1 1 22 22 GLN HA H 1 4.029 0.020 . 1 . . . . 235 GLN HA . 18095 1
282 . 1 1 22 22 GLN HB2 H 1 2.176 0.020 . 2 . . . . 235 GLN HB2 . 18095 1
283 . 1 1 22 22 GLN HB3 H 1 2.176 0.020 . 2 . . . . 235 GLN HB3 . 18095 1
284 . 1 1 22 22 GLN HG2 H 1 2.671 0.020 . 2 . . . . 235 GLN HG2 . 18095 1
285 . 1 1 22 22 GLN HG3 H 1 2.511 0.020 . 2 . . . . 235 GLN HG3 . 18095 1
286 . 1 1 22 22 GLN HE21 H 1 7.435 0.020 . 1 . . . . 235 GLN HE21 . 18095 1
287 . 1 1 22 22 GLN HE22 H 1 6.991 0.020 . 1 . . . . 235 GLN HE22 . 18095 1
288 . 1 1 22 22 GLN C C 13 178.752 0.300 . 1 . . . . 235 GLN C . 18095 1
289 . 1 1 22 22 GLN CA C 13 59.066 0.300 . 1 . . . . 235 GLN CA . 18095 1
290 . 1 1 22 22 GLN CB C 13 28.658 0.300 . 1 . . . . 235 GLN CB . 18095 1
291 . 1 1 22 22 GLN CG C 13 34.593 0.300 . 1 . . . . 235 GLN CG . 18095 1
292 . 1 1 22 22 GLN N N 15 118.273 0.300 . 1 . . . . 235 GLN N . 18095 1
293 . 1 1 22 22 GLN NE2 N 15 111.585 0.300 . 1 . . . . 235 GLN NE2 . 18095 1
294 . 1 1 23 23 ILE H H 1 7.969 0.020 . 1 . . . . 236 ILE H . 18095 1
295 . 1 1 23 23 ILE HA H 1 3.302 0.020 . 1 . . . . 236 ILE HA . 18095 1
296 . 1 1 23 23 ILE HB H 1 1.016 0.020 . 1 . . . . 236 ILE HB . 18095 1
297 . 1 1 23 23 ILE HG12 H 1 0.727 0.020 . 2 . . . . 236 ILE HG12 . 18095 1
298 . 1 1 23 23 ILE HG13 H 1 0.524 0.020 . 2 . . . . 236 ILE HG13 . 18095 1
299 . 1 1 23 23 ILE HG21 H 1 0.664 0.020 . 1 . . . . 236 ILE HG21 . 18095 1
300 . 1 1 23 23 ILE HG22 H 1 0.664 0.020 . 1 . . . . 236 ILE HG22 . 18095 1
301 . 1 1 23 23 ILE HG23 H 1 0.664 0.020 . 1 . . . . 236 ILE HG23 . 18095 1
302 . 1 1 23 23 ILE HD11 H 1 0.232 0.020 . 1 . . . . 236 ILE HD11 . 18095 1
303 . 1 1 23 23 ILE HD12 H 1 0.232 0.020 . 1 . . . . 236 ILE HD12 . 18095 1
304 . 1 1 23 23 ILE HD13 H 1 0.232 0.020 . 1 . . . . 236 ILE HD13 . 18095 1
305 . 1 1 23 23 ILE C C 13 177.378 0.300 . 1 . . . . 236 ILE C . 18095 1
306 . 1 1 23 23 ILE CA C 13 63.905 0.300 . 1 . . . . 236 ILE CA . 18095 1
307 . 1 1 23 23 ILE CB C 13 36.807 0.300 . 1 . . . . 236 ILE CB . 18095 1
308 . 1 1 23 23 ILE CG1 C 13 28.468 0.300 . 1 . . . . 236 ILE CG1 . 18095 1
309 . 1 1 23 23 ILE CG2 C 13 17.973 0.300 . 1 . . . . 236 ILE CG2 . 18095 1
310 . 1 1 23 23 ILE CD1 C 13 13.575 0.300 . 1 . . . . 236 ILE CD1 . 18095 1
311 . 1 1 23 23 ILE N N 15 119.891 0.300 . 1 . . . . 236 ILE N . 18095 1
312 . 1 1 24 24 ALA H H 1 8.202 0.020 . 1 . . . . 237 ALA H . 18095 1
313 . 1 1 24 24 ALA HA H 1 4.187 0.020 . 1 . . . . 237 ALA HA . 18095 1
314 . 1 1 24 24 ALA HB1 H 1 1.606 0.020 . 1 . . . . 237 ALA HB1 . 18095 1
315 . 1 1 24 24 ALA HB2 H 1 1.606 0.020 . 1 . . . . 237 ALA HB2 . 18095 1
316 . 1 1 24 24 ALA HB3 H 1 1.606 0.020 . 1 . . . . 237 ALA HB3 . 18095 1
317 . 1 1 24 24 ALA C C 13 180.799 0.300 . 1 . . . . 237 ALA C . 18095 1
318 . 1 1 24 24 ALA CA C 13 55.957 0.300 . 1 . . . . 237 ALA CA . 18095 1
319 . 1 1 24 24 ALA CB C 13 18.126 0.300 . 1 . . . . 237 ALA CB . 18095 1
320 . 1 1 24 24 ALA N N 15 124.290 0.300 . 1 . . . . 237 ALA N . 18095 1
321 . 1 1 25 25 LYS H H 1 8.264 0.020 . 1 . . . . 238 LYS H . 18095 1
322 . 1 1 25 25 LYS HA H 1 4.042 0.020 . 1 . . . . 238 LYS HA . 18095 1
323 . 1 1 25 25 LYS HB2 H 1 1.949 0.020 . 2 . . . . 238 LYS HB2 . 18095 1
324 . 1 1 25 25 LYS HB3 H 1 1.949 0.020 . 2 . . . . 238 LYS HB3 . 18095 1
325 . 1 1 25 25 LYS HG2 H 1 1.696 0.020 . 2 . . . . 238 LYS HG2 . 18095 1
326 . 1 1 25 25 LYS HG3 H 1 1.696 0.020 . 2 . . . . 238 LYS HG3 . 18095 1
327 . 1 1 25 25 LYS C C 13 179.388 0.300 . 1 . . . . 238 LYS C . 18095 1
328 . 1 1 25 25 LYS CA C 13 58.992 0.300 . 1 . . . . 238 LYS CA . 18095 1
329 . 1 1 25 25 LYS CB C 13 32.298 0.300 . 1 . . . . 238 LYS CB . 18095 1
330 . 1 1 25 25 LYS CG C 13 28.514 0.300 . 1 . . . . 238 LYS CG . 18095 1
331 . 1 1 25 25 LYS CD C 13 25.169 0.300 . 1 . . . . 238 LYS CD . 18095 1
332 . 1 1 25 25 LYS CE C 13 41.165 0.300 . 1 . . . . 238 LYS CE . 18095 1
333 . 1 1 25 25 LYS N N 15 119.241 0.300 . 1 . . . . 238 LYS N . 18095 1
334 . 1 1 26 26 PHE H H 1 7.962 0.020 . 1 . . . . 239 PHE H . 18095 1
335 . 1 1 26 26 PHE HA H 1 3.991 0.020 . 1 . . . . 239 PHE HA . 18095 1
336 . 1 1 26 26 PHE HB2 H 1 3.193 0.020 . 2 . . . . 239 PHE HB2 . 18095 1
337 . 1 1 26 26 PHE HB3 H 1 3.060 0.020 . 2 . . . . 239 PHE HB3 . 18095 1
338 . 1 1 26 26 PHE HD1 H 1 5.996 0.020 . 1 . . . . 239 PHE HD1 . 18095 1
339 . 1 1 26 26 PHE HD2 H 1 5.996 0.020 . 1 . . . . 239 PHE HD2 . 18095 1
340 . 1 1 26 26 PHE C C 13 177.083 0.300 . 1 . . . . 239 PHE C . 18095 1
341 . 1 1 26 26 PHE CA C 13 61.034 0.300 . 1 . . . . 239 PHE CA . 18095 1
342 . 1 1 26 26 PHE CB C 13 38.849 0.300 . 1 . . . . 239 PHE CB . 18095 1
343 . 1 1 26 26 PHE CD1 C 13 131.269 0.300 . 1 . . . . 239 PHE CD1 . 18095 1
344 . 1 1 26 26 PHE N N 15 119.889 0.300 . 1 . . . . 239 PHE N . 18095 1
345 . 1 1 27 27 TRP H H 1 7.941 0.020 . 1 . . . . 240 TRP H . 18095 1
346 . 1 1 27 27 TRP HA H 1 4.010 0.020 . 1 . . . . 240 TRP HA . 18095 1
347 . 1 1 27 27 TRP HB2 H 1 2.920 0.020 . 1 . . . . 240 TRP HB2 . 18095 1
348 . 1 1 27 27 TRP HB3 H 1 3.402 0.020 . 1 . . . . 240 TRP HB3 . 18095 1
349 . 1 1 27 27 TRP HD1 H 1 7.305 0.020 . 1 . . . . 240 TRP HD1 . 18095 1
350 . 1 1 27 27 TRP HE1 H 1 10.159 0.020 . 1 . . . . 240 TRP HE1 . 18095 1
351 . 1 1 27 27 TRP HZ2 H 1 7.935 0.020 . 1 . . . . 240 TRP HZ2 . 18095 1
352 . 1 1 27 27 TRP HZ3 H 1 7.197 0.020 . 1 . . . . 240 TRP HZ3 . 18095 1
353 . 1 1 27 27 TRP HH2 H 1 7.473 0.020 . 1 . . . . 240 TRP HH2 . 18095 1
354 . 1 1 27 27 TRP C C 13 178.761 0.300 . 1 . . . . 240 TRP C . 18095 1
355 . 1 1 27 27 TRP CA C 13 60.877 0.300 . 1 . . . . 240 TRP CA . 18095 1
356 . 1 1 27 27 TRP CB C 13 28.500 0.300 . 1 . . . . 240 TRP CB . 18095 1
357 . 1 1 27 27 TRP CD1 C 13 126.289 0.300 . 1 . . . . 240 TRP CD1 . 18095 1
358 . 1 1 27 27 TRP CZ2 C 13 115.493 0.300 . 1 . . . . 240 TRP CZ2 . 18095 1
359 . 1 1 27 27 TRP CZ3 C 13 122.536 0.300 . 1 . . . . 240 TRP CZ3 . 18095 1
360 . 1 1 27 27 TRP CH2 C 13 124.932 0.300 . 1 . . . . 240 TRP CH2 . 18095 1
361 . 1 1 27 27 TRP N N 15 119.408 0.300 . 1 . . . . 240 TRP N . 18095 1
362 . 1 1 27 27 TRP NE1 N 15 124.381 0.300 . 1 . . . . 240 TRP NE1 . 18095 1
363 . 1 1 28 28 GLU H H 1 8.270 0.020 . 1 . . . . 241 GLU H . 18095 1
364 . 1 1 28 28 GLU HA H 1 4.186 0.020 . 1 . . . . 241 GLU HA . 18095 1
365 . 1 1 28 28 GLU HB2 H 1 2.159 0.020 . 2 . . . . 241 GLU HB2 . 18095 1
366 . 1 1 28 28 GLU HB3 H 1 2.159 0.020 . 2 . . . . 241 GLU HB3 . 18095 1
367 . 1 1 28 28 GLU HG2 H 1 2.437 0.020 . 2 . . . . 241 GLU HG2 . 18095 1
368 . 1 1 28 28 GLU HG3 H 1 2.437 0.020 . 2 . . . . 241 GLU HG3 . 18095 1
369 . 1 1 28 28 GLU C C 13 181.187 0.300 . 1 . . . . 241 GLU C . 18095 1
370 . 1 1 28 28 GLU CA C 13 59.542 0.300 . 1 . . . . 241 GLU CA . 18095 1
371 . 1 1 28 28 GLU CB C 13 29.578 0.300 . 1 . . . . 241 GLU CB . 18095 1
372 . 1 1 28 28 GLU CG C 13 36.370 0.300 . 1 . . . . 241 GLU CG . 18095 1
373 . 1 1 28 28 GLU N N 15 121.346 0.300 . 1 . . . . 241 GLU N . 18095 1
374 . 1 1 29 29 LEU H H 1 7.992 0.020 . 1 . . . . 242 LEU H . 18095 1
375 . 1 1 29 29 LEU HA H 1 4.062 0.020 . 1 . . . . 242 LEU HA . 18095 1
376 . 1 1 29 29 LEU HB2 H 1 1.717 0.020 . 2 . . . . 242 LEU HB2 . 18095 1
377 . 1 1 29 29 LEU HB3 H 1 1.532 0.020 . 2 . . . . 242 LEU HB3 . 18095 1
378 . 1 1 29 29 LEU HD11 H 1 0.862 0.020 . 2 . . . . 242 LEU HD11 . 18095 1
379 . 1 1 29 29 LEU HD12 H 1 0.862 0.020 . 2 . . . . 242 LEU HD12 . 18095 1
380 . 1 1 29 29 LEU HD13 H 1 0.862 0.020 . 2 . . . . 242 LEU HD13 . 18095 1
381 . 1 1 29 29 LEU HD21 H 1 0.825 0.020 . 2 . . . . 242 LEU HD21 . 18095 1
382 . 1 1 29 29 LEU HD22 H 1 0.825 0.020 . 2 . . . . 242 LEU HD22 . 18095 1
383 . 1 1 29 29 LEU HD23 H 1 0.825 0.020 . 2 . . . . 242 LEU HD23 . 18095 1
384 . 1 1 29 29 LEU C C 13 178.724 0.300 . 1 . . . . 242 LEU C . 18095 1
385 . 1 1 29 29 LEU CA C 13 57.447 0.300 . 1 . . . . 242 LEU CA . 18095 1
386 . 1 1 29 29 LEU CB C 13 41.423 0.300 . 1 . . . . 242 LEU CB . 18095 1
387 . 1 1 29 29 LEU CG C 13 26.598 0.300 . 1 . . . . 242 LEU CG . 18095 1
388 . 1 1 29 29 LEU CD1 C 13 24.937 0.300 . 1 . . . . 242 LEU CD1 . 18095 1
389 . 1 1 29 29 LEU CD2 C 13 23.663 0.300 . 1 . . . . 242 LEU CD2 . 18095 1
390 . 1 1 29 29 LEU N N 15 122.138 0.300 . 1 . . . . 242 LEU N . 18095 1
391 . 1 1 30 30 GLN H H 1 7.284 0.020 . 1 . . . . 243 GLN H . 18095 1
392 . 1 1 30 30 GLN HA H 1 4.084 0.020 . 1 . . . . 243 GLN HA . 18095 1
393 . 1 1 30 30 GLN HB2 H 1 1.857 0.020 . 1 . . . . 243 GLN HB2 . 18095 1
394 . 1 1 30 30 GLN HB3 H 1 2.263 0.020 . 1 . . . . 243 GLN HB3 . 18095 1
395 . 1 1 30 30 GLN HG2 H 1 1.421 0.020 . 2 . . . . 243 GLN HG2 . 18095 1
396 . 1 1 30 30 GLN HG3 H 1 1.243 0.020 . 2 . . . . 243 GLN HG3 . 18095 1
397 . 1 1 30 30 GLN HE21 H 1 6.363 0.020 . 2 . . . . 243 GLN HE21 . 18095 1
398 . 1 1 30 30 GLN HE22 H 1 5.721 0.020 . 2 . . . . 243 GLN HE22 . 18095 1
399 . 1 1 30 30 GLN C C 13 176.566 0.300 . 1 . . . . 243 GLN C . 18095 1
400 . 1 1 30 30 GLN CA C 13 54.743 0.300 . 1 . . . . 243 GLN CA . 18095 1
401 . 1 1 30 30 GLN CB C 13 28.419 0.300 . 1 . . . . 243 GLN CB . 18095 1
402 . 1 1 30 30 GLN CG C 13 32.827 0.300 . 1 . . . . 243 GLN CG . 18095 1
403 . 1 1 30 30 GLN N N 15 114.935 0.300 . 1 . . . . 243 GLN N . 18095 1
404 . 1 1 30 30 GLN NE2 N 15 112.984 0.300 . 1 . . . . 243 GLN NE2 . 18095 1
405 . 1 1 31 31 GLY H H 1 7.880 0.020 . 1 . . . . 244 GLY H . 18095 1
406 . 1 1 31 31 GLY HA2 H 1 4.254 0.020 . 2 . . . . 244 GLY HA2 . 18095 1
407 . 1 1 31 31 GLY HA3 H 1 3.811 0.020 . 2 . . . . 244 GLY HA3 . 18095 1
408 . 1 1 31 31 GLY C C 13 174.261 0.300 . 1 . . . . 244 GLY C . 18095 1
409 . 1 1 31 31 GLY CA C 13 45.416 0.300 . 1 . . . . 244 GLY CA . 18095 1
410 . 1 1 31 31 GLY N N 15 106.984 0.300 . 1 . . . . 244 GLY N . 18095 1
411 . 1 1 32 32 SER H H 1 7.967 0.020 . 1 . . . . 245 SER H . 18095 1
412 . 1 1 32 32 SER HA H 1 4.748 0.020 . 1 . . . . 245 SER HA . 18095 1
413 . 1 1 32 32 SER HB2 H 1 3.826 0.020 . 2 . . . . 245 SER HB2 . 18095 1
414 . 1 1 32 32 SER HB3 H 1 3.774 0.020 . 2 . . . . 245 SER HB3 . 18095 1
415 . 1 1 32 32 SER C C 13 172.785 0.300 . 1 . . . . 245 SER C . 18095 1
416 . 1 1 32 32 SER CA C 13 55.630 0.300 . 1 . . . . 245 SER CA . 18095 1
417 . 1 1 32 32 SER CB C 13 64.455 0.300 . 1 . . . . 245 SER CB . 18095 1
418 . 1 1 32 32 SER N N 15 115.512 0.300 . 1 . . . . 245 SER N . 18095 1
419 . 1 1 33 33 SER H H 1 8.366 0.020 . 1 . . . . 246 SER H . 18095 1
420 . 1 1 33 33 SER HA H 1 4.401 0.020 . 1 . . . . 246 SER HA . 18095 1
421 . 1 1 33 33 SER HB2 H 1 3.819 0.020 . 2 . . . . 246 SER HB2 . 18095 1
422 . 1 1 33 33 SER HB3 H 1 3.679 0.020 . 2 . . . . 246 SER HB3 . 18095 1
423 . 1 1 33 33 SER C C 13 173.735 0.300 . 1 . . . . 246 SER C . 18095 1
424 . 1 1 33 33 SER CA C 13 58.054 0.300 . 1 . . . . 246 SER CA . 18095 1
425 . 1 1 33 33 SER CB C 13 64.069 0.300 . 1 . . . . 246 SER CB . 18095 1
426 . 1 1 33 33 SER N N 15 115.591 0.300 . 1 . . . . 246 SER N . 18095 1
427 . 1 1 34 34 LEU H H 1 9.053 0.020 . 1 . . . . 247 LEU H . 18095 1
428 . 1 1 34 34 LEU HA H 1 3.959 0.020 . 1 . . . . 247 LEU HA . 18095 1
429 . 1 1 34 34 LEU HB2 H 1 1.929 0.020 . 1 . . . . 247 LEU HB2 . 18095 1
430 . 1 1 34 34 LEU HB3 H 1 1.261 0.020 . 1 . . . . 247 LEU HB3 . 18095 1
431 . 1 1 34 34 LEU HG H 1 1.000 0.020 . 1 . . . . 247 LEU HG . 18095 1
432 . 1 1 34 34 LEU HD11 H 1 0.824 0.020 . 2 . . . . 247 LEU HD11 . 18095 1
433 . 1 1 34 34 LEU HD12 H 1 0.824 0.020 . 2 . . . . 247 LEU HD12 . 18095 1
434 . 1 1 34 34 LEU HD13 H 1 0.824 0.020 . 2 . . . . 247 LEU HD13 . 18095 1
435 . 1 1 34 34 LEU HD21 H 1 0.646 0.020 . 2 . . . . 247 LEU HD21 . 18095 1
436 . 1 1 34 34 LEU HD22 H 1 0.646 0.020 . 2 . . . . 247 LEU HD22 . 18095 1
437 . 1 1 34 34 LEU HD23 H 1 0.646 0.020 . 2 . . . . 247 LEU HD23 . 18095 1
438 . 1 1 34 34 LEU C C 13 175.285 0.300 . 1 . . . . 247 LEU C . 18095 1
439 . 1 1 34 34 LEU CA C 13 55.582 0.300 . 1 . . . . 247 LEU CA . 18095 1
440 . 1 1 34 34 LEU CB C 13 42.936 0.300 . 1 . . . . 247 LEU CB . 18095 1
441 . 1 1 34 34 LEU CG C 13 26.842 0.300 . 1 . . . . 247 LEU CG . 18095 1
442 . 1 1 34 34 LEU CD1 C 13 23.397 0.300 . 1 . . . . 247 LEU CD1 . 18095 1
443 . 1 1 34 34 LEU CD2 C 13 23.666 0.300 . 1 . . . . 247 LEU CD2 . 18095 1
444 . 1 1 34 34 LEU N N 15 125.274 0.300 . 1 . . . . 247 LEU N . 18095 1
445 . 1 1 35 35 LYS H H 1 8.121 0.020 . 1 . . . . 248 LYS H . 18095 1
446 . 1 1 35 35 LYS HA H 1 4.468 0.020 . 1 . . . . 248 LYS HA . 18095 1
447 . 1 1 35 35 LYS HB2 H 1 1.580 0.020 . 2 . . . . 248 LYS HB2 . 18095 1
448 . 1 1 35 35 LYS HB3 H 1 1.530 0.020 . 2 . . . . 248 LYS HB3 . 18095 1
449 . 1 1 35 35 LYS HG2 H 1 1.188 0.020 . 2 . . . . 248 LYS HG2 . 18095 1
450 . 1 1 35 35 LYS HG3 H 1 1.188 0.020 . 2 . . . . 248 LYS HG3 . 18095 1
451 . 1 1 35 35 LYS HD2 H 1 1.565 0.020 . 2 . . . . 248 LYS HD2 . 18095 1
452 . 1 1 35 35 LYS HD3 H 1 1.565 0.020 . 2 . . . . 248 LYS HD3 . 18095 1
453 . 1 1 35 35 LYS HE2 H 1 2.902 0.020 . 2 . . . . 248 LYS HE2 . 18095 1
454 . 1 1 35 35 LYS HE3 H 1 2.902 0.020 . 2 . . . . 248 LYS HE3 . 18095 1
455 . 1 1 35 35 LYS C C 13 175.202 0.300 . 1 . . . . 248 LYS C . 18095 1
456 . 1 1 35 35 LYS CA C 13 54.318 0.300 . 1 . . . . 248 LYS CA . 18095 1
457 . 1 1 35 35 LYS CB C 13 33.226 0.300 . 1 . . . . 248 LYS CB . 18095 1
458 . 1 1 35 35 LYS CG C 13 24.539 0.300 . 1 . . . . 248 LYS CG . 18095 1
459 . 1 1 35 35 LYS CD C 13 28.885 0.300 . 1 . . . . 248 LYS CD . 18095 1
460 . 1 1 35 35 LYS CE C 13 42.277 0.300 . 1 . . . . 248 LYS CE . 18095 1
461 . 1 1 35 35 LYS N N 15 129.804 0.300 . 1 . . . . 248 LYS N . 18095 1
462 . 1 1 36 36 ILE H H 1 8.674 0.020 . 1 . . . . 249 ILE H . 18095 1
463 . 1 1 36 36 ILE HA H 1 3.991 0.020 . 1 . . . . 249 ILE HA . 18095 1
464 . 1 1 36 36 ILE HB H 1 1.864 0.020 . 1 . . . . 249 ILE HB . 18095 1
465 . 1 1 36 36 ILE HG12 H 1 1.134 0.020 . 1 . . . . 249 ILE HG12 . 18095 1
466 . 1 1 36 36 ILE HG13 H 1 1.622 0.020 . 1 . . . . 249 ILE HG13 . 18095 1
467 . 1 1 36 36 ILE HG21 H 1 1.097 0.020 . 1 . . . . 249 ILE HG21 . 18095 1
468 . 1 1 36 36 ILE HG22 H 1 1.097 0.020 . 1 . . . . 249 ILE HG22 . 18095 1
469 . 1 1 36 36 ILE HG23 H 1 1.097 0.020 . 1 . . . . 249 ILE HG23 . 18095 1
470 . 1 1 36 36 ILE HD11 H 1 0.918 0.020 . 1 . . . . 249 ILE HD11 . 18095 1
471 . 1 1 36 36 ILE HD12 H 1 0.918 0.020 . 1 . . . . 249 ILE HD12 . 18095 1
472 . 1 1 36 36 ILE HD13 H 1 0.918 0.020 . 1 . . . . 249 ILE HD13 . 18095 1
473 . 1 1 36 36 ILE CA C 13 59.083 0.300 . 1 . . . . 249 ILE CA . 18095 1
474 . 1 1 36 36 ILE CB C 13 37.635 0.300 . 1 . . . . 249 ILE CB . 18095 1
475 . 1 1 36 36 ILE CG1 C 13 28.156 0.300 . 1 . . . . 249 ILE CG1 . 18095 1
476 . 1 1 36 36 ILE CG2 C 13 18.047 0.300 . 1 . . . . 249 ILE CG2 . 18095 1
477 . 1 1 36 36 ILE CD1 C 13 12.251 0.300 . 1 . . . . 249 ILE CD1 . 18095 1
478 . 1 1 36 36 ILE N N 15 126.783 0.300 . 1 . . . . 249 ILE N . 18095 1
479 . 1 1 37 37 PRO HA H 1 4.372 0.020 . 1 . . . . 250 PRO HA . 18095 1
480 . 1 1 37 37 PRO HB2 H 1 1.820 0.020 . 1 . . . . 250 PRO HB2 . 18095 1
481 . 1 1 37 37 PRO HB3 H 1 1.215 0.020 . 1 . . . . 250 PRO HB3 . 18095 1
482 . 1 1 37 37 PRO HG2 H 1 1.062 0.020 . 2 . . . . 250 PRO HG2 . 18095 1
483 . 1 1 37 37 PRO HG3 H 1 1.062 0.020 . 2 . . . . 250 PRO HG3 . 18095 1
484 . 1 1 37 37 PRO HD2 H 1 3.945 0.020 . 2 . . . . 250 PRO HD2 . 18095 1
485 . 1 1 37 37 PRO HD3 H 1 3.263 0.020 . 2 . . . . 250 PRO HD3 . 18095 1
486 . 1 1 37 37 PRO C C 13 174.538 0.300 . 1 . . . . 250 PRO C . 18095 1
487 . 1 1 37 37 PRO CA C 13 62.193 0.300 . 1 . . . . 250 PRO CA . 18095 1
488 . 1 1 37 37 PRO CB C 13 32.576 0.300 . 1 . . . . 250 PRO CB . 18095 1
489 . 1 1 37 37 PRO CG C 13 26.316 0.300 . 1 . . . . 250 PRO CG . 18095 1
490 . 1 1 37 37 PRO CD C 13 50.351 0.300 . 1 . . . . 250 PRO CD . 18095 1
491 . 1 1 38 38 MET H H 1 8.299 0.020 . 1 . . . . 251 MET H . 18095 1
492 . 1 1 38 38 MET HA H 1 4.763 0.020 . 1 . . . . 251 MET HA . 18095 1
493 . 1 1 38 38 MET HB2 H 1 1.938 0.020 . 1 . . . . 251 MET HB2 . 18095 1
494 . 1 1 38 38 MET HB3 H 1 1.548 0.020 . 1 . . . . 251 MET HB3 . 18095 1
495 . 1 1 38 38 MET HG2 H 1 2.504 0.020 . 2 . . . . 251 MET HG2 . 18095 1
496 . 1 1 38 38 MET HG3 H 1 2.504 0.020 . 2 . . . . 251 MET HG3 . 18095 1
497 . 1 1 38 38 MET HE1 H 1 2.301 0.020 . 1 . . . . 251 MET HE1 . 18095 1
498 . 1 1 38 38 MET HE2 H 1 2.301 0.020 . 1 . . . . 251 MET HE2 . 18095 1
499 . 1 1 38 38 MET HE3 H 1 2.301 0.020 . 1 . . . . 251 MET HE3 . 18095 1
500 . 1 1 38 38 MET C C 13 176.686 0.300 . 1 . . . . 251 MET C . 18095 1
501 . 1 1 38 38 MET CA C 13 53.694 0.300 . 1 . . . . 251 MET CA . 18095 1
502 . 1 1 38 38 MET CB C 13 33.330 0.300 . 1 . . . . 251 MET CB . 18095 1
503 . 1 1 38 38 MET CG C 13 31.626 0.300 . 1 . . . . 251 MET CG . 18095 1
504 . 1 1 38 38 MET CE C 13 17.536 0.300 . 1 . . . . 251 MET CE . 18095 1
505 . 1 1 38 38 MET N N 15 117.438 0.300 . 1 . . . . 251 MET N . 18095 1
506 . 1 1 39 39 VAL H H 1 8.914 0.020 . 1 . . . . 252 VAL H . 18095 1
507 . 1 1 39 39 VAL HA H 1 4.195 0.020 . 1 . . . . 252 VAL HA . 18095 1
508 . 1 1 39 39 VAL HB H 1 1.972 0.020 . 1 . . . . 252 VAL HB . 18095 1
509 . 1 1 39 39 VAL HG11 H 1 0.576 0.020 . 1 . . . . 252 VAL HG11 . 18095 1
510 . 1 1 39 39 VAL HG12 H 1 0.576 0.020 . 1 . . . . 252 VAL HG12 . 18095 1
511 . 1 1 39 39 VAL HG13 H 1 0.576 0.020 . 1 . . . . 252 VAL HG13 . 18095 1
512 . 1 1 39 39 VAL HG21 H 1 0.837 0.020 . 1 . . . . 252 VAL HG21 . 18095 1
513 . 1 1 39 39 VAL HG22 H 1 0.837 0.020 . 1 . . . . 252 VAL HG22 . 18095 1
514 . 1 1 39 39 VAL HG23 H 1 0.837 0.020 . 1 . . . . 252 VAL HG23 . 18095 1
515 . 1 1 39 39 VAL C C 13 175.266 0.300 . 1 . . . . 252 VAL C . 18095 1
516 . 1 1 39 39 VAL CA C 13 61.806 0.300 . 1 . . . . 252 VAL CA . 18095 1
517 . 1 1 39 39 VAL CB C 13 34.563 0.300 . 1 . . . . 252 VAL CB . 18095 1
518 . 1 1 39 39 VAL CG1 C 13 21.009 0.300 . 1 . . . . 252 VAL CG1 . 18095 1
519 . 1 1 39 39 VAL CG2 C 13 22.770 0.300 . 1 . . . . 252 VAL CG2 . 18095 1
520 . 1 1 39 39 VAL N N 15 124.530 0.300 . 1 . . . . 252 VAL N . 18095 1
521 . 1 1 40 40 GLU H H 1 9.482 0.020 . 1 . . . . 253 GLU H . 18095 1
522 . 1 1 40 40 GLU HA H 1 3.767 0.020 . 1 . . . . 253 GLU HA . 18095 1
523 . 1 1 40 40 GLU HB2 H 1 2.388 0.020 . 1 . . . . 253 GLU HB2 . 18095 1
524 . 1 1 40 40 GLU HB3 H 1 2.159 0.020 . 1 . . . . 253 GLU HB3 . 18095 1
525 . 1 1 40 40 GLU HG2 H 1 2.282 0.020 . 2 . . . . 253 GLU HG2 . 18095 1
526 . 1 1 40 40 GLU HG3 H 1 2.105 0.020 . 2 . . . . 253 GLU HG3 . 18095 1
527 . 1 1 40 40 GLU C C 13 175.414 0.300 . 1 . . . . 253 GLU C . 18095 1
528 . 1 1 40 40 GLU CA C 13 57.355 0.300 . 1 . . . . 253 GLU CA . 18095 1
529 . 1 1 40 40 GLU CB C 13 27.203 0.300 . 1 . . . . 253 GLU CB . 18095 1
530 . 1 1 40 40 GLU CG C 13 36.550 0.300 . 1 . . . . 253 GLU CG . 18095 1
531 . 1 1 40 40 GLU N N 15 126.297 0.300 . 1 . . . . 253 GLU N . 18095 1
532 . 1 1 41 41 ARG H H 1 8.651 0.020 . 1 . . . . 254 ARG H . 18095 1
533 . 1 1 41 41 ARG HA H 1 3.707 0.020 . 1 . . . . 254 ARG HA . 18095 1
534 . 1 1 41 41 ARG HB2 H 1 2.184 0.020 . 2 . . . . 254 ARG HB2 . 18095 1
535 . 1 1 41 41 ARG HB3 H 1 2.055 0.020 . 2 . . . . 254 ARG HB3 . 18095 1
536 . 1 1 41 41 ARG C C 13 174.777 0.300 . 1 . . . . 254 ARG C . 18095 1
537 . 1 1 41 41 ARG CA C 13 58.105 0.300 . 1 . . . . 254 ARG CA . 18095 1
538 . 1 1 41 41 ARG CB C 13 27.337 0.300 . 1 . . . . 254 ARG CB . 18095 1
539 . 1 1 41 41 ARG CG C 13 28.093 0.300 . 1 . . . . 254 ARG CG . 18095 1
540 . 1 1 41 41 ARG CD C 13 43.089 0.300 . 1 . . . . 254 ARG CD . 18095 1
541 . 1 1 41 41 ARG N N 15 107.598 0.300 . 1 . . . . 254 ARG N . 18095 1
542 . 1 1 42 42 LYS H H 1 7.718 0.020 . 1 . . . . 255 LYS H . 18095 1
543 . 1 1 42 42 LYS HA H 1 4.674 0.020 . 1 . . . . 255 LYS HA . 18095 1
544 . 1 1 42 42 LYS HB2 H 1 1.905 0.020 . 2 . . . . 255 LYS HB2 . 18095 1
545 . 1 1 42 42 LYS HB3 H 1 1.798 0.020 . 2 . . . . 255 LYS HB3 . 18095 1
546 . 1 1 42 42 LYS HG2 H 1 1.513 0.020 . 2 . . . . 255 LYS HG2 . 18095 1
547 . 1 1 42 42 LYS HG3 H 1 1.513 0.020 . 2 . . . . 255 LYS HG3 . 18095 1
548 . 1 1 42 42 LYS HD2 H 1 1.563 0.020 . 2 . . . . 255 LYS HD2 . 18095 1
549 . 1 1 42 42 LYS HD3 H 1 1.563 0.020 . 2 . . . . 255 LYS HD3 . 18095 1
550 . 1 1 42 42 LYS HE2 H 1 2.905 0.020 . 2 . . . . 255 LYS HE2 . 18095 1
551 . 1 1 42 42 LYS HE3 H 1 2.905 0.020 . 2 . . . . 255 LYS HE3 . 18095 1
552 . 1 1 42 42 LYS C C 13 175.146 0.300 . 1 . . . . 255 LYS C . 18095 1
553 . 1 1 42 42 LYS CA C 13 54.743 0.300 . 1 . . . . 255 LYS CA . 18095 1
554 . 1 1 42 42 LYS CB C 13 36.392 0.300 . 1 . . . . 255 LYS CB . 18095 1
555 . 1 1 42 42 LYS CG C 13 24.967 0.300 . 1 . . . . 255 LYS CG . 18095 1
556 . 1 1 42 42 LYS CD C 13 28.962 0.300 . 1 . . . . 255 LYS CD . 18095 1
557 . 1 1 42 42 LYS CE C 13 42.004 0.300 . 1 . . . . 255 LYS CE . 18095 1
558 . 1 1 42 42 LYS N N 15 118.768 0.300 . 1 . . . . 255 LYS N . 18095 1
559 . 1 1 43 43 ALA H H 1 8.762 0.020 . 1 . . . . 256 ALA H . 18095 1
560 . 1 1 43 43 ALA HA H 1 4.321 0.020 . 1 . . . . 256 ALA HA . 18095 1
561 . 1 1 43 43 ALA HB1 H 1 1.261 0.020 . 1 . . . . 256 ALA HB1 . 18095 1
562 . 1 1 43 43 ALA HB2 H 1 1.261 0.020 . 1 . . . . 256 ALA HB2 . 18095 1
563 . 1 1 43 43 ALA HB3 H 1 1.261 0.020 . 1 . . . . 256 ALA HB3 . 18095 1
564 . 1 1 43 43 ALA C C 13 178.604 0.300 . 1 . . . . 256 ALA C . 18095 1
565 . 1 1 43 43 ALA CA C 13 53.341 0.300 . 1 . . . . 256 ALA CA . 18095 1
566 . 1 1 43 43 ALA CB C 13 18.347 0.300 . 1 . . . . 256 ALA CB . 18095 1
567 . 1 1 43 43 ALA N N 15 126.745 0.300 . 1 . . . . 256 ALA N . 18095 1
568 . 1 1 44 44 LEU H H 1 8.397 0.020 . 1 . . . . 257 LEU H . 18095 1
569 . 1 1 44 44 LEU HA H 1 4.180 0.020 . 1 . . . . 257 LEU HA . 18095 1
570 . 1 1 44 44 LEU HB2 H 1 1.149 0.020 . 1 . . . . 257 LEU HB2 . 18095 1
571 . 1 1 44 44 LEU HB3 H 1 1.684 0.020 . 1 . . . . 257 LEU HB3 . 18095 1
572 . 1 1 44 44 LEU HD11 H 1 0.810 0.020 . 2 . . . . 257 LEU HD11 . 18095 1
573 . 1 1 44 44 LEU HD12 H 1 0.810 0.020 . 2 . . . . 257 LEU HD12 . 18095 1
574 . 1 1 44 44 LEU HD13 H 1 0.810 0.020 . 2 . . . . 257 LEU HD13 . 18095 1
575 . 1 1 44 44 LEU HD21 H 1 0.701 0.020 . 2 . . . . 257 LEU HD21 . 18095 1
576 . 1 1 44 44 LEU HD22 H 1 0.701 0.020 . 2 . . . . 257 LEU HD22 . 18095 1
577 . 1 1 44 44 LEU HD23 H 1 0.701 0.020 . 2 . . . . 257 LEU HD23 . 18095 1
578 . 1 1 44 44 LEU C C 13 175.146 0.300 . 1 . . . . 257 LEU C . 18095 1
579 . 1 1 44 44 LEU CA C 13 55.245 0.300 . 1 . . . . 257 LEU CA . 18095 1
580 . 1 1 44 44 LEU CB C 13 43.351 0.300 . 1 . . . . 257 LEU CB . 18095 1
581 . 1 1 44 44 LEU CG C 13 26.842 0.300 . 1 . . . . 257 LEU CG . 18095 1
582 . 1 1 44 44 LEU CD1 C 13 26.582 0.300 . 1 . . . . 257 LEU CD1 . 18095 1
583 . 1 1 44 44 LEU CD2 C 13 26.324 0.300 . 1 . . . . 257 LEU CD2 . 18095 1
584 . 1 1 44 44 LEU N N 15 125.939 0.300 . 1 . . . . 257 LEU N . 18095 1
585 . 1 1 45 45 ASP H H 1 8.766 0.020 . 1 . . . . 258 ASP H . 18095 1
586 . 1 1 45 45 ASP HA H 1 4.755 0.020 . 1 . . . . 258 ASP HA . 18095 1
587 . 1 1 45 45 ASP HB2 H 1 2.735 0.020 . 1 . . . . 258 ASP HB2 . 18095 1
588 . 1 1 45 45 ASP HB3 H 1 3.099 0.020 . 1 . . . . 258 ASP HB3 . 18095 1
589 . 1 1 45 45 ASP C C 13 175.478 0.300 . 1 . . . . 258 ASP C . 18095 1
590 . 1 1 45 45 ASP CA C 13 52.370 0.300 . 1 . . . . 258 ASP CA . 18095 1
591 . 1 1 45 45 ASP CB C 13 39.456 0.300 . 1 . . . . 258 ASP CB . 18095 1
592 . 1 1 45 45 ASP N N 15 126.703 0.300 . 1 . . . . 258 ASP N . 18095 1
593 . 1 1 46 46 LEU H H 1 8.116 0.020 . 1 . . . . 259 LEU H . 18095 1
594 . 1 1 46 46 LEU HA H 1 3.981 0.020 . 1 . . . . 259 LEU HA . 18095 1
595 . 1 1 46 46 LEU HB2 H 1 1.968 0.020 . 2 . . . . 259 LEU HB2 . 18095 1
596 . 1 1 46 46 LEU HB3 H 1 1.577 0.020 . 2 . . . . 259 LEU HB3 . 18095 1
597 . 1 1 46 46 LEU HD11 H 1 1.002 0.020 . 1 . . . . 259 LEU HD11 . 18095 1
598 . 1 1 46 46 LEU HD12 H 1 1.002 0.020 . 1 . . . . 259 LEU HD12 . 18095 1
599 . 1 1 46 46 LEU HD13 H 1 1.002 0.020 . 1 . . . . 259 LEU HD13 . 18095 1
600 . 1 1 46 46 LEU HD21 H 1 0.812 0.020 . 1 . . . . 259 LEU HD21 . 18095 1
601 . 1 1 46 46 LEU HD22 H 1 0.812 0.020 . 1 . . . . 259 LEU HD22 . 18095 1
602 . 1 1 46 46 LEU HD23 H 1 0.812 0.020 . 1 . . . . 259 LEU HD23 . 18095 1
603 . 1 1 46 46 LEU C C 13 177.894 0.300 . 1 . . . . 259 LEU C . 18095 1
604 . 1 1 46 46 LEU CA C 13 57.778 0.300 . 1 . . . . 259 LEU CA . 18095 1
605 . 1 1 46 46 LEU CB C 13 43.209 0.300 . 1 . . . . 259 LEU CB . 18095 1
606 . 1 1 46 46 LEU CG C 13 27.284 0.300 . 1 . . . . 259 LEU CG . 18095 1
607 . 1 1 46 46 LEU CD1 C 13 27.140 0.300 . 1 . . . . 259 LEU CD1 . 18095 1
608 . 1 1 46 46 LEU CD2 C 13 23.281 0.300 . 1 . . . . 259 LEU CD2 . 18095 1
609 . 1 1 46 46 LEU N N 15 125.336 0.300 . 1 . . . . 259 LEU N . 18095 1
610 . 1 1 47 47 TYR H H 1 8.477 0.020 . 1 . . . . 260 TYR H . 18095 1
611 . 1 1 47 47 TYR HA H 1 3.682 0.020 . 1 . . . . 260 TYR HA . 18095 1
612 . 1 1 47 47 TYR HB2 H 1 3.116 0.020 . 2 . . . . 260 TYR HB2 . 18095 1
613 . 1 1 47 47 TYR HB3 H 1 3.015 0.020 . 2 . . . . 260 TYR HB3 . 18095 1
614 . 1 1 47 47 TYR HD1 H 1 6.739 0.020 . 1 . . . . 260 TYR HD1 . 18095 1
615 . 1 1 47 47 TYR HD2 H 1 6.739 0.020 . 1 . . . . 260 TYR HD2 . 18095 1
616 . 1 1 47 47 TYR HE1 H 1 6.700 0.020 . 1 . . . . 260 TYR HE1 . 18095 1
617 . 1 1 47 47 TYR HE2 H 1 6.700 0.020 . 1 . . . . 260 TYR HE2 . 18095 1
618 . 1 1 47 47 TYR C C 13 176.631 0.300 . 1 . . . . 260 TYR C . 18095 1
619 . 1 1 47 47 TYR CA C 13 61.747 0.300 . 1 . . . . 260 TYR CA . 18095 1
620 . 1 1 47 47 TYR CB C 13 38.406 0.300 . 1 . . . . 260 TYR CB . 18095 1
621 . 1 1 47 47 TYR CD1 C 13 132.990 0.300 . 1 . . . . 260 TYR CD1 . 18095 1
622 . 1 1 47 47 TYR CE1 C 13 118.138 0.300 . 1 . . . . 260 TYR CE1 . 18095 1
623 . 1 1 47 47 TYR N N 15 117.813 0.300 . 1 . . . . 260 TYR N . 18095 1
624 . 1 1 48 48 THR H H 1 7.916 0.020 . 1 . . . . 261 THR H . 18095 1
625 . 1 1 48 48 THR HA H 1 3.827 0.020 . 1 . . . . 261 THR HA . 18095 1
626 . 1 1 48 48 THR HB H 1 3.550 0.020 . 1 . . . . 261 THR HB . 18095 1
627 . 1 1 48 48 THR HG21 H 1 1.306 0.020 . 1 . . . . 261 THR HG21 . 18095 1
628 . 1 1 48 48 THR HG22 H 1 1.306 0.020 . 1 . . . . 261 THR HG22 . 18095 1
629 . 1 1 48 48 THR HG23 H 1 1.306 0.020 . 1 . . . . 261 THR HG23 . 18095 1
630 . 1 1 48 48 THR C C 13 175.146 0.300 . 1 . . . . 261 THR C . 18095 1
631 . 1 1 48 48 THR CA C 13 67.637 0.300 . 1 . . . . 261 THR CA . 18095 1
632 . 1 1 48 48 THR CB C 13 67.215 0.300 . 1 . . . . 261 THR CB . 18095 1
633 . 1 1 48 48 THR CG2 C 13 22.835 0.300 . 1 . . . . 261 THR CG2 . 18095 1
634 . 1 1 48 48 THR N N 15 118.866 0.300 . 1 . . . . 261 THR N . 18095 1
635 . 1 1 49 49 LEU H H 1 8.140 0.020 . 1 . . . . 262 LEU H . 18095 1
636 . 1 1 49 49 LEU HA H 1 4.379 0.020 . 1 . . . . 262 LEU HA . 18095 1
637 . 1 1 49 49 LEU HB2 H 1 1.569 0.020 . 1 . . . . 262 LEU HB2 . 18095 1
638 . 1 1 49 49 LEU HB3 H 1 2.108 0.020 . 1 . . . . 262 LEU HB3 . 18095 1
639 . 1 1 49 49 LEU C C 13 177.009 0.300 . 1 . . . . 262 LEU C . 18095 1
640 . 1 1 49 49 LEU CA C 13 58.716 0.300 . 1 . . . . 262 LEU CA . 18095 1
641 . 1 1 49 49 LEU CB C 13 42.050 0.300 . 1 . . . . 262 LEU CB . 18095 1
642 . 1 1 49 49 LEU CG C 13 28.829 0.300 . 1 . . . . 262 LEU CG . 18095 1
643 . 1 1 49 49 LEU N N 15 120.913 0.300 . 1 . . . . 262 LEU N . 18095 1
644 . 1 1 50 50 HIS H H 1 8.079 0.020 . 1 . . . . 263 HIS H . 18095 1
645 . 1 1 50 50 HIS HA H 1 4.489 0.020 . 1 . . . . 263 HIS HA . 18095 1
646 . 1 1 50 50 HIS HB2 H 1 3.263 0.020 . 1 . . . . 263 HIS HB2 . 18095 1
647 . 1 1 50 50 HIS HB3 H 1 3.128 0.020 . 1 . . . . 263 HIS HB3 . 18095 1
648 . 1 1 50 50 HIS HD2 H 1 6.599 0.020 . 1 . . . . 263 HIS HD2 . 18095 1
649 . 1 1 50 50 HIS C C 13 176.640 0.300 . 1 . . . . 263 HIS C . 18095 1
650 . 1 1 50 50 HIS CA C 13 60.910 0.300 . 1 . . . . 263 HIS CA . 18095 1
651 . 1 1 50 50 HIS CB C 13 30.350 0.300 . 1 . . . . 263 HIS CB . 18095 1
652 . 1 1 50 50 HIS CD2 C 13 129.378 0.300 . 1 . . . . 263 HIS CD2 . 18095 1
653 . 1 1 50 50 HIS N N 15 116.373 0.300 . 1 . . . . 263 HIS N . 18095 1
654 . 1 1 51 51 ARG H H 1 8.242 0.020 . 1 . . . . 264 ARG H . 18095 1
655 . 1 1 51 51 ARG HA H 1 3.564 0.020 . 1 . . . . 264 ARG HA . 18095 1
656 . 1 1 51 51 ARG HB2 H 1 1.480 0.020 . 1 . . . . 264 ARG HB2 . 18095 1
657 . 1 1 51 51 ARG HB3 H 1 1.713 0.020 . 1 . . . . 264 ARG HB3 . 18095 1
658 . 1 1 51 51 ARG HG2 H 1 1.410 0.020 . 2 . . . . 264 ARG HG2 . 18095 1
659 . 1 1 51 51 ARG HG3 H 1 1.288 0.020 . 2 . . . . 264 ARG HG3 . 18095 1
660 . 1 1 51 51 ARG HD2 H 1 3.093 0.020 . 2 . . . . 264 ARG HD2 . 18095 1
661 . 1 1 51 51 ARG HD3 H 1 2.944 0.020 . 2 . . . . 264 ARG HD3 . 18095 1
662 . 1 1 51 51 ARG C C 13 179.305 0.300 . 1 . . . . 264 ARG C . 18095 1
663 . 1 1 51 51 ARG CA C 13 59.263 0.300 . 1 . . . . 264 ARG CA . 18095 1
664 . 1 1 51 51 ARG CB C 13 29.798 0.300 . 1 . . . . 264 ARG CB . 18095 1
665 . 1 1 51 51 ARG CG C 13 26.755 0.300 . 1 . . . . 264 ARG CG . 18095 1
666 . 1 1 51 51 ARG CD C 13 42.929 0.300 . 1 . . . . 264 ARG CD . 18095 1
667 . 1 1 51 51 ARG N N 15 119.190 0.300 . 1 . . . . 264 ARG N . 18095 1
668 . 1 1 52 52 ILE H H 1 8.680 0.020 . 1 . . . . 265 ILE H . 18095 1
669 . 1 1 52 52 ILE HA H 1 3.510 0.020 . 1 . . . . 265 ILE HA . 18095 1
670 . 1 1 52 52 ILE HB H 1 1.879 0.020 . 1 . . . . 265 ILE HB . 18095 1
671 . 1 1 52 52 ILE HG12 H 1 1.647 0.020 . 1 . . . . 265 ILE HG12 . 18095 1
672 . 1 1 52 52 ILE HG13 H 1 1.062 0.020 . 1 . . . . 265 ILE HG13 . 18095 1
673 . 1 1 52 52 ILE HG21 H 1 0.871 0.020 . 1 . . . . 265 ILE HG21 . 18095 1
674 . 1 1 52 52 ILE HG22 H 1 0.871 0.020 . 1 . . . . 265 ILE HG22 . 18095 1
675 . 1 1 52 52 ILE HG23 H 1 0.871 0.020 . 1 . . . . 265 ILE HG23 . 18095 1
676 . 1 1 52 52 ILE HD11 H 1 0.720 0.020 . 1 . . . . 265 ILE HD11 . 18095 1
677 . 1 1 52 52 ILE HD12 H 1 0.720 0.020 . 1 . . . . 265 ILE HD12 . 18095 1
678 . 1 1 52 52 ILE HD13 H 1 0.720 0.020 . 1 . . . . 265 ILE HD13 . 18095 1
679 . 1 1 52 52 ILE C C 13 177.802 0.300 . 1 . . . . 265 ILE C . 18095 1
680 . 1 1 52 52 ILE CA C 13 64.922 0.300 . 1 . . . . 265 ILE CA . 18095 1
681 . 1 1 52 52 ILE CB C 13 37.464 0.300 . 1 . . . . 265 ILE CB . 18095 1
682 . 1 1 52 52 ILE CG1 C 13 29.368 0.300 . 1 . . . . 265 ILE CG1 . 18095 1
683 . 1 1 52 52 ILE CG2 C 13 19.199 0.300 . 1 . . . . 265 ILE CG2 . 18095 1
684 . 1 1 52 52 ILE CD1 C 13 13.846 0.300 . 1 . . . . 265 ILE CD1 . 18095 1
685 . 1 1 52 52 ILE N N 15 119.519 0.300 . 1 . . . . 265 ILE N . 18095 1
686 . 1 1 53 53 VAL H H 1 8.173 0.020 . 1 . . . . 266 VAL H . 18095 1
687 . 1 1 53 53 VAL HA H 1 3.055 0.020 . 1 . . . . 266 VAL HA . 18095 1
688 . 1 1 53 53 VAL HB H 1 2.105 0.020 . 1 . . . . 266 VAL HB . 18095 1
689 . 1 1 53 53 VAL HG11 H 1 0.164 0.020 . 1 . . . . 266 VAL HG11 . 18095 1
690 . 1 1 53 53 VAL HG12 H 1 0.164 0.020 . 1 . . . . 266 VAL HG12 . 18095 1
691 . 1 1 53 53 VAL HG13 H 1 0.164 0.020 . 1 . . . . 266 VAL HG13 . 18095 1
692 . 1 1 53 53 VAL HG21 H 1 0.843 0.020 . 1 . . . . 266 VAL HG21 . 18095 1
693 . 1 1 53 53 VAL HG22 H 1 0.843 0.020 . 1 . . . . 266 VAL HG22 . 18095 1
694 . 1 1 53 53 VAL HG23 H 1 0.843 0.020 . 1 . . . . 266 VAL HG23 . 18095 1
695 . 1 1 53 53 VAL C C 13 179.158 0.300 . 1 . . . . 266 VAL C . 18095 1
696 . 1 1 53 53 VAL CA C 13 66.994 0.300 . 1 . . . . 266 VAL CA . 18095 1
697 . 1 1 53 53 VAL CB C 13 30.737 0.300 . 1 . . . . 266 VAL CB . 18095 1
698 . 1 1 53 53 VAL CG1 C 13 19.430 0.300 . 1 . . . . 266 VAL CG1 . 18095 1
699 . 1 1 53 53 VAL CG2 C 13 26.171 0.300 . 1 . . . . 266 VAL CG2 . 18095 1
700 . 1 1 53 53 VAL N N 15 119.176 0.300 . 1 . . . . 266 VAL N . 18095 1
701 . 1 1 54 54 GLN H H 1 8.205 0.020 . 1 . . . . 267 GLN H . 18095 1
702 . 1 1 54 54 GLN HA H 1 3.680 0.020 . 1 . . . . 267 GLN HA . 18095 1
703 . 1 1 54 54 GLN HB2 H 1 2.001 0.020 . 2 . . . . 267 GLN HB2 . 18095 1
704 . 1 1 54 54 GLN HB3 H 1 2.001 0.020 . 2 . . . . 267 GLN HB3 . 18095 1
705 . 1 1 54 54 GLN HG2 H 1 2.356 0.020 . 2 . . . . 267 GLN HG2 . 18095 1
706 . 1 1 54 54 GLN HG3 H 1 2.356 0.020 . 2 . . . . 267 GLN HG3 . 18095 1
707 . 1 1 54 54 GLN HE21 H 1 7.585 0.020 . 2 . . . . 267 GLN HE21 . 18095 1
708 . 1 1 54 54 GLN HE22 H 1 6.875 0.020 . 2 . . . . 267 GLN HE22 . 18095 1
709 . 1 1 54 54 GLN C C 13 176.622 0.300 . 1 . . . . 267 GLN C . 18095 1
710 . 1 1 54 54 GLN CA C 13 59.044 0.300 . 1 . . . . 267 GLN CA . 18095 1
711 . 1 1 54 54 GLN CB C 13 27.370 0.300 . 1 . . . . 267 GLN CB . 18095 1
712 . 1 1 54 54 GLN CG C 13 32.035 0.300 . 1 . . . . 267 GLN CG . 18095 1
713 . 1 1 54 54 GLN N N 15 118.481 0.300 . 1 . . . . 267 GLN N . 18095 1
714 . 1 1 54 54 GLN NE2 N 15 112.080 0.300 . 1 . . . . 267 GLN NE2 . 18095 1
715 . 1 1 55 55 GLU H H 1 8.096 0.020 . 1 . . . . 268 GLU H . 18095 1
716 . 1 1 55 55 GLU HA H 1 3.915 0.020 . 1 . . . . 268 GLU HA . 18095 1
717 . 1 1 55 55 GLU HB2 H 1 2.233 0.020 . 2 . . . . 268 GLU HB2 . 18095 1
718 . 1 1 55 55 GLU HB3 H 1 2.041 0.020 . 2 . . . . 268 GLU HB3 . 18095 1
719 . 1 1 55 55 GLU HG2 H 1 2.540 0.020 . 2 . . . . 268 GLU HG2 . 18095 1
720 . 1 1 55 55 GLU HG3 H 1 2.207 0.020 . 2 . . . . 268 GLU HG3 . 18095 1
721 . 1 1 55 55 GLU C C 13 178.687 0.300 . 1 . . . . 268 GLU C . 18095 1
722 . 1 1 55 55 GLU CA C 13 59.541 0.300 . 1 . . . . 268 GLU CA . 18095 1
723 . 1 1 55 55 GLU CB C 13 29.541 0.300 . 1 . . . . 268 GLU CB . 18095 1
724 . 1 1 55 55 GLU CG C 13 36.717 0.300 . 1 . . . . 268 GLU CG . 18095 1
725 . 1 1 55 55 GLU N N 15 122.392 0.300 . 1 . . . . 268 GLU N . 18095 1
726 . 1 1 56 56 GLU H H 1 7.553 0.020 . 1 . . . . 269 GLU H . 18095 1
727 . 1 1 56 56 GLU HA H 1 4.172 0.020 . 1 . . . . 269 GLU HA . 18095 1
728 . 1 1 56 56 GLU HB2 H 1 1.867 0.020 . 2 . . . . 269 GLU HB2 . 18095 1
729 . 1 1 56 56 GLU HB3 H 1 1.676 0.020 . 2 . . . . 269 GLU HB3 . 18095 1
730 . 1 1 56 56 GLU HG2 H 1 2.377 0.020 . 2 . . . . 269 GLU HG2 . 18095 1
731 . 1 1 56 56 GLU HG3 H 1 2.377 0.020 . 2 . . . . 269 GLU HG3 . 18095 1
732 . 1 1 56 56 GLU C C 13 175.617 0.300 . 1 . . . . 269 GLU C . 18095 1
733 . 1 1 56 56 GLU CA C 13 55.508 0.300 . 1 . . . . 269 GLU CA . 18095 1
734 . 1 1 56 56 GLU CB C 13 28.751 0.300 . 1 . . . . 269 GLU CB . 18095 1
735 . 1 1 56 56 GLU CG C 13 34.962 0.300 . 1 . . . . 269 GLU CG . 18095 1
736 . 1 1 56 56 GLU N N 15 116.107 0.300 . 1 . . . . 269 GLU N . 18095 1
737 . 1 1 57 57 GLY H H 1 7.465 0.020 . 1 . . . . 270 GLY H . 18095 1
738 . 1 1 57 57 GLY HA2 H 1 3.586 0.020 . 1 . . . . 270 GLY HA2 . 18095 1
739 . 1 1 57 57 GLY HA3 H 1 4.382 0.020 . 1 . . . . 270 GLY HA3 . 18095 1
740 . 1 1 57 57 GLY C C 13 175.091 0.300 . 1 . . . . 270 GLY C . 18095 1
741 . 1 1 57 57 GLY CA C 13 44.657 0.300 . 1 . . . . 270 GLY CA . 18095 1
742 . 1 1 57 57 GLY N N 15 104.662 0.300 . 1 . . . . 270 GLY N . 18095 1
743 . 1 1 58 58 GLY H H 1 8.552 0.020 . 1 . . . . 271 GLY H . 18095 1
744 . 1 1 58 58 GLY HA2 H 1 4.630 0.020 . 2 . . . . 271 GLY HA2 . 18095 1
745 . 1 1 58 58 GLY HA3 H 1 3.398 0.020 . 2 . . . . 271 GLY HA3 . 18095 1
746 . 1 1 58 58 GLY C C 13 174.224 0.300 . 1 . . . . 271 GLY C . 18095 1
747 . 1 1 58 58 GLY CA C 13 43.366 0.300 . 1 . . . . 271 GLY CA . 18095 1
748 . 1 1 58 58 GLY N N 15 109.997 0.300 . 1 . . . . 271 GLY N . 18095 1
749 . 1 1 59 59 MET H H 1 9.315 0.020 . 1 . . . . 272 MET H . 18095 1
750 . 1 1 59 59 MET HA H 1 3.193 0.020 . 1 . . . . 272 MET HA . 18095 1
751 . 1 1 59 59 MET HB2 H 1 2.056 0.020 . 2 . . . . 272 MET HB2 . 18095 1
752 . 1 1 59 59 MET HB3 H 1 2.056 0.020 . 2 . . . . 272 MET HB3 . 18095 1
753 . 1 1 59 59 MET HE1 H 1 1.660 0.020 . 1 . . . . 272 MET HE1 . 18095 1
754 . 1 1 59 59 MET HE2 H 1 1.660 0.020 . 1 . . . . 272 MET HE2 . 18095 1
755 . 1 1 59 59 MET HE3 H 1 1.660 0.020 . 1 . . . . 272 MET HE3 . 18095 1
756 . 1 1 59 59 MET C C 13 176.972 0.300 . 1 . . . . 272 MET C . 18095 1
757 . 1 1 59 59 MET CA C 13 60.454 0.300 . 1 . . . . 272 MET CA . 18095 1
758 . 1 1 59 59 MET CB C 13 33.272 0.300 . 1 . . . . 272 MET CB . 18095 1
759 . 1 1 59 59 MET CE C 13 16.291 0.300 . 1 . . . . 272 MET CE . 18095 1
760 . 1 1 59 59 MET N N 15 122.785 0.300 . 1 . . . . 272 MET N . 18095 1
761 . 1 1 60 60 GLU H H 1 8.965 0.020 . 1 . . . . 273 GLU H . 18095 1
762 . 1 1 60 60 GLU HA H 1 3.996 0.020 . 1 . . . . 273 GLU HA . 18095 1
763 . 1 1 60 60 GLU HB2 H 1 2.043 0.020 . 2 . . . . 273 GLU HB2 . 18095 1
764 . 1 1 60 60 GLU HB3 H 1 1.960 0.020 . 2 . . . . 273 GLU HB3 . 18095 1
765 . 1 1 60 60 GLU HG2 H 1 2.308 0.020 . 2 . . . . 273 GLU HG2 . 18095 1
766 . 1 1 60 60 GLU HG3 H 1 2.308 0.020 . 2 . . . . 273 GLU HG3 . 18095 1
767 . 1 1 60 60 GLU C C 13 179.462 0.300 . 1 . . . . 273 GLU C . 18095 1
768 . 1 1 60 60 GLU CA C 13 60.317 0.300 . 1 . . . . 273 GLU CA . 18095 1
769 . 1 1 60 60 GLU CB C 13 28.529 0.300 . 1 . . . . 273 GLU CB . 18095 1
770 . 1 1 60 60 GLU CG C 13 36.854 0.300 . 1 . . . . 273 GLU CG . 18095 1
771 . 1 1 60 60 GLU N N 15 117.923 0.300 . 1 . . . . 273 GLU N . 18095 1
772 . 1 1 61 61 GLN H H 1 8.502 0.020 . 1 . . . . 274 GLN H . 18095 1
773 . 1 1 61 61 GLN HA H 1 3.715 0.020 . 1 . . . . 274 GLN HA . 18095 1
774 . 1 1 61 61 GLN HB2 H 1 1.968 0.020 . 2 . . . . 274 GLN HB2 . 18095 1
775 . 1 1 61 61 GLN HB3 H 1 1.658 0.020 . 2 . . . . 274 GLN HB3 . 18095 1
776 . 1 1 61 61 GLN HG2 H 1 2.385 0.020 . 2 . . . . 274 GLN HG2 . 18095 1
777 . 1 1 61 61 GLN HG3 H 1 2.385 0.020 . 2 . . . . 274 GLN HG3 . 18095 1
778 . 1 1 61 61 GLN HE21 H 1 7.210 0.020 . 2 . . . . 274 GLN HE21 . 18095 1
779 . 1 1 61 61 GLN HE22 H 1 6.830 0.020 . 2 . . . . 274 GLN HE22 . 18095 1
780 . 1 1 61 61 GLN C C 13 177.590 0.300 . 1 . . . . 274 GLN C . 18095 1
781 . 1 1 61 61 GLN CA C 13 58.606 0.300 . 1 . . . . 274 GLN CA . 18095 1
782 . 1 1 61 61 GLN CB C 13 28.441 0.300 . 1 . . . . 274 GLN CB . 18095 1
783 . 1 1 61 61 GLN CG C 13 33.541 0.300 . 1 . . . . 274 GLN CG . 18095 1
784 . 1 1 61 61 GLN N N 15 120.947 0.300 . 1 . . . . 274 GLN N . 18095 1
785 . 1 1 61 61 GLN NE2 N 15 114.941 0.300 . 1 . . . . 274 GLN NE2 . 18095 1
786 . 1 1 62 62 THR H H 1 7.837 0.020 . 1 . . . . 275 THR H . 18095 1
787 . 1 1 62 62 THR HA H 1 3.426 0.020 . 1 . . . . 275 THR HA . 18095 1
788 . 1 1 62 62 THR HB H 1 3.417 0.020 . 1 . . . . 275 THR HB . 18095 1
789 . 1 1 62 62 THR HG21 H 1 -0.973 0.020 . 1 . . . . 275 THR HG21 . 18095 1
790 . 1 1 62 62 THR HG22 H 1 -0.973 0.020 . 1 . . . . 275 THR HG22 . 18095 1
791 . 1 1 62 62 THR HG23 H 1 -0.973 0.020 . 1 . . . . 275 THR HG23 . 18095 1
792 . 1 1 62 62 THR C C 13 176.714 0.300 . 1 . . . . 275 THR C . 18095 1
793 . 1 1 62 62 THR CA C 13 67.372 0.300 . 1 . . . . 275 THR CA . 18095 1
794 . 1 1 62 62 THR CB C 13 66.884 0.300 . 1 . . . . 275 THR CB . 18095 1
795 . 1 1 62 62 THR CG2 C 13 18.559 0.300 . 1 . . . . 275 THR CG2 . 18095 1
796 . 1 1 62 62 THR N N 15 116.860 0.300 . 1 . . . . 275 THR N . 18095 1
797 . 1 1 63 63 THR H H 1 8.300 0.020 . 1 . . . . 276 THR H . 18095 1
798 . 1 1 63 63 THR HA H 1 4.239 0.020 . 1 . . . . 276 THR HA . 18095 1
799 . 1 1 63 63 THR HB H 1 4.403 0.020 . 1 . . . . 276 THR HB . 18095 1
800 . 1 1 63 63 THR HG21 H 1 1.328 0.020 . 1 . . . . 276 THR HG21 . 18095 1
801 . 1 1 63 63 THR HG22 H 1 1.328 0.020 . 1 . . . . 276 THR HG22 . 18095 1
802 . 1 1 63 63 THR HG23 H 1 1.328 0.020 . 1 . . . . 276 THR HG23 . 18095 1
803 . 1 1 63 63 THR C C 13 177.904 0.300 . 1 . . . . 276 THR C . 18095 1
804 . 1 1 63 63 THR CA C 13 66.534 0.300 . 1 . . . . 276 THR CA . 18095 1
805 . 1 1 63 63 THR CB C 13 68.755 0.300 . 1 . . . . 276 THR CB . 18095 1
806 . 1 1 63 63 THR CG2 C 13 22.864 0.300 . 1 . . . . 276 THR CG2 . 18095 1
807 . 1 1 63 63 THR N N 15 118.811 0.300 . 1 . . . . 276 THR N . 18095 1
808 . 1 1 64 64 LYS H H 1 8.894 0.020 . 1 . . . . 277 LYS H . 18095 1
809 . 1 1 64 64 LYS HA H 1 3.974 0.020 . 1 . . . . 277 LYS HA . 18095 1
810 . 1 1 64 64 LYS HB2 H 1 1.886 0.020 . 2 . . . . 277 LYS HB2 . 18095 1
811 . 1 1 64 64 LYS HB3 H 1 1.802 0.020 . 2 . . . . 277 LYS HB3 . 18095 1
812 . 1 1 64 64 LYS HG2 H 1 1.452 0.020 . 2 . . . . 277 LYS HG2 . 18095 1
813 . 1 1 64 64 LYS HG3 H 1 1.452 0.020 . 2 . . . . 277 LYS HG3 . 18095 1
814 . 1 1 64 64 LYS HD2 H 1 1.705 0.020 . 2 . . . . 277 LYS HD2 . 18095 1
815 . 1 1 64 64 LYS HD3 H 1 1.705 0.020 . 2 . . . . 277 LYS HD3 . 18095 1
816 . 1 1 64 64 LYS HE2 H 1 3.023 0.020 . 2 . . . . 277 LYS HE2 . 18095 1
817 . 1 1 64 64 LYS HE3 H 1 3.023 0.020 . 2 . . . . 277 LYS HE3 . 18095 1
818 . 1 1 64 64 LYS C C 13 177.894 0.300 . 1 . . . . 277 LYS C . 18095 1
819 . 1 1 64 64 LYS CA C 13 60.096 0.300 . 1 . . . . 277 LYS CA . 18095 1
820 . 1 1 64 64 LYS CB C 13 32.613 0.300 . 1 . . . . 277 LYS CB . 18095 1
821 . 1 1 64 64 LYS CG C 13 24.966 0.300 . 1 . . . . 277 LYS CG . 18095 1
822 . 1 1 64 64 LYS CD C 13 28.962 0.300 . 1 . . . . 277 LYS CD . 18095 1
823 . 1 1 64 64 LYS CE C 13 41.984 0.300 . 1 . . . . 277 LYS CE . 18095 1
824 . 1 1 64 64 LYS N N 15 125.636 0.300 . 1 . . . . 277 LYS N . 18095 1
825 . 1 1 65 65 ASP H H 1 8.205 0.020 . 1 . . . . 278 ASP H . 18095 1
826 . 1 1 65 65 ASP HA H 1 4.726 0.020 . 1 . . . . 278 ASP HA . 18095 1
827 . 1 1 65 65 ASP HB2 H 1 2.520 0.020 . 1 . . . . 278 ASP HB2 . 18095 1
828 . 1 1 65 65 ASP HB3 H 1 2.823 0.020 . 1 . . . . 278 ASP HB3 . 18095 1
829 . 1 1 65 65 ASP C C 13 174.602 0.300 . 1 . . . . 278 ASP C . 18095 1
830 . 1 1 65 65 ASP CA C 13 54.301 0.300 . 1 . . . . 278 ASP CA . 18095 1
831 . 1 1 65 65 ASP CB C 13 40.229 0.300 . 1 . . . . 278 ASP CB . 18095 1
832 . 1 1 65 65 ASP N N 15 115.675 0.300 . 1 . . . . 278 ASP N . 18095 1
833 . 1 1 66 66 ARG H H 1 7.860 0.020 . 1 . . . . 279 ARG H . 18095 1
834 . 1 1 66 66 ARG HA H 1 4.261 0.020 . 1 . . . . 279 ARG HA . 18095 1
835 . 1 1 66 66 ARG HB2 H 1 2.166 0.020 . 2 . . . . 279 ARG HB2 . 18095 1
836 . 1 1 66 66 ARG HB3 H 1 1.986 0.020 . 2 . . . . 279 ARG HB3 . 18095 1
837 . 1 1 66 66 ARG C C 13 177.479 0.300 . 1 . . . . 279 ARG C . 18095 1
838 . 1 1 66 66 ARG CA C 13 57.171 0.300 . 1 . . . . 279 ARG CA . 18095 1
839 . 1 1 66 66 ARG CB C 13 26.583 0.300 . 1 . . . . 279 ARG CB . 18095 1
840 . 1 1 66 66 ARG N N 15 117.481 0.300 . 1 . . . . 279 ARG N . 18095 1
841 . 1 1 67 67 LYS H H 1 8.639 0.020 . 1 . . . . 280 LYS H . 18095 1
842 . 1 1 67 67 LYS HA H 1 4.763 0.020 . 1 . . . . 280 LYS HA . 18095 1
843 . 1 1 67 67 LYS HB2 H 1 1.844 0.020 . 2 . . . . 280 LYS HB2 . 18095 1
844 . 1 1 67 67 LYS HB3 H 1 1.584 0.020 . 2 . . . . 280 LYS HB3 . 18095 1
845 . 1 1 67 67 LYS HG2 H 1 1.285 0.020 . 2 . . . . 280 LYS HG2 . 18095 1
846 . 1 1 67 67 LYS HG3 H 1 1.285 0.020 . 2 . . . . 280 LYS HG3 . 18095 1
847 . 1 1 67 67 LYS HD2 H 1 1.672 0.020 . 2 . . . . 280 LYS HD2 . 18095 1
848 . 1 1 67 67 LYS HD3 H 1 1.672 0.020 . 2 . . . . 280 LYS HD3 . 18095 1
849 . 1 1 67 67 LYS HE2 H 1 2.950 0.020 . 2 . . . . 280 LYS HE2 . 18095 1
850 . 1 1 67 67 LYS HE3 H 1 2.950 0.020 . 2 . . . . 280 LYS HE3 . 18095 1
851 . 1 1 67 67 LYS C C 13 177.064 0.300 . 1 . . . . 280 LYS C . 18095 1
852 . 1 1 67 67 LYS CA C 13 55.736 0.300 . 1 . . . . 280 LYS CA . 18095 1
853 . 1 1 67 67 LYS CB C 13 33.772 0.300 . 1 . . . . 280 LYS CB . 18095 1
854 . 1 1 67 67 LYS CG C 13 24.206 0.300 . 1 . . . . 280 LYS CG . 18095 1
855 . 1 1 67 67 LYS CD C 13 28.797 0.300 . 1 . . . . 280 LYS CD . 18095 1
856 . 1 1 67 67 LYS CE C 13 41.935 0.300 . 1 . . . . 280 LYS CE . 18095 1
857 . 1 1 67 67 LYS N N 15 114.580 0.300 . 1 . . . . 280 LYS N . 18095 1
858 . 1 1 68 68 TRP H H 1 8.054 0.020 . 1 . . . . 281 TRP H . 18095 1
859 . 1 1 68 68 TRP HA H 1 3.907 0.020 . 1 . . . . 281 TRP HA . 18095 1
860 . 1 1 68 68 TRP HB2 H 1 3.339 0.020 . 2 . . . . 281 TRP HB2 . 18095 1
861 . 1 1 68 68 TRP HB3 H 1 3.133 0.020 . 2 . . . . 281 TRP HB3 . 18095 1
862 . 1 1 68 68 TRP HD1 H 1 7.531 0.020 . 1 . . . . 281 TRP HD1 . 18095 1
863 . 1 1 68 68 TRP HE1 H 1 10.693 0.020 . 1 . . . . 281 TRP HE1 . 18095 1
864 . 1 1 68 68 TRP HZ2 H 1 7.082 0.020 . 1 . . . . 281 TRP HZ2 . 18095 1
865 . 1 1 68 68 TRP HZ3 H 1 6.718 0.020 . 1 . . . . 281 TRP HZ3 . 18095 1
866 . 1 1 68 68 TRP HH2 H 1 6.487 0.020 . 1 . . . . 281 TRP HH2 . 18095 1
867 . 1 1 68 68 TRP C C 13 178.355 0.300 . 1 . . . . 281 TRP C . 18095 1
868 . 1 1 68 68 TRP CA C 13 62.138 0.300 . 1 . . . . 281 TRP CA . 18095 1
869 . 1 1 68 68 TRP CB C 13 27.205 0.300 . 1 . . . . 281 TRP CB . 18095 1
870 . 1 1 68 68 TRP CD1 C 13 126.006 0.300 . 1 . . . . 281 TRP CD1 . 18095 1
871 . 1 1 68 68 TRP CZ2 C 13 113.531 0.300 . 1 . . . . 281 TRP CZ2 . 18095 1
872 . 1 1 68 68 TRP CZ3 C 13 120.809 0.300 . 1 . . . . 281 TRP CZ3 . 18095 1
873 . 1 1 68 68 TRP CH2 C 13 123.606 0.300 . 1 . . . . 281 TRP CH2 . 18095 1
874 . 1 1 68 68 TRP N N 15 121.950 0.300 . 1 . . . . 281 TRP N . 18095 1
875 . 1 1 68 68 TRP NE1 N 15 130.602 0.300 . 1 . . . . 281 TRP NE1 . 18095 1
876 . 1 1 69 69 ALA H H 1 8.646 0.020 . 1 . . . . 282 ALA H . 18095 1
877 . 1 1 69 69 ALA HA H 1 4.254 0.020 . 1 . . . . 282 ALA HA . 18095 1
878 . 1 1 69 69 ALA HB1 H 1 1.429 0.020 . 1 . . . . 282 ALA HB1 . 18095 1
879 . 1 1 69 69 ALA HB2 H 1 1.429 0.020 . 1 . . . . 282 ALA HB2 . 18095 1
880 . 1 1 69 69 ALA HB3 H 1 1.429 0.020 . 1 . . . . 282 ALA HB3 . 18095 1
881 . 1 1 69 69 ALA C C 13 179.711 0.300 . 1 . . . . 282 ALA C . 18095 1
882 . 1 1 69 69 ALA CA C 13 55.165 0.300 . 1 . . . . 282 ALA CA . 18095 1
883 . 1 1 69 69 ALA CB C 13 17.947 0.300 . 1 . . . . 282 ALA CB . 18095 1
884 . 1 1 69 69 ALA N N 15 121.291 0.300 . 1 . . . . 282 ALA N . 18095 1
885 . 1 1 70 70 LYS H H 1 7.377 0.020 . 1 . . . . 283 LYS H . 18095 1
886 . 1 1 70 70 LYS HA H 1 4.069 0.020 . 1 . . . . 283 LYS HA . 18095 1
887 . 1 1 70 70 LYS HB2 H 1 1.990 0.020 . 2 . . . . 283 LYS HB2 . 18095 1
888 . 1 1 70 70 LYS HB3 H 1 1.938 0.020 . 2 . . . . 283 LYS HB3 . 18095 1
889 . 1 1 70 70 LYS HG2 H 1 1.192 0.020 . 2 . . . . 283 LYS HG2 . 18095 1
890 . 1 1 70 70 LYS HG3 H 1 1.043 0.020 . 2 . . . . 283 LYS HG3 . 18095 1
891 . 1 1 70 70 LYS HD2 H 1 1.712 0.020 . 2 . . . . 283 LYS HD2 . 18095 1
892 . 1 1 70 70 LYS HD3 H 1 1.712 0.020 . 2 . . . . 283 LYS HD3 . 18095 1
893 . 1 1 70 70 LYS HE2 H 1 2.996 0.020 . 2 . . . . 283 LYS HE2 . 18095 1
894 . 1 1 70 70 LYS HE3 H 1 2.996 0.020 . 2 . . . . 283 LYS HE3 . 18095 1
895 . 1 1 70 70 LYS C C 13 179.130 0.300 . 1 . . . . 283 LYS C . 18095 1
896 . 1 1 70 70 LYS CA C 13 59.157 0.300 . 1 . . . . 283 LYS CA . 18095 1
897 . 1 1 70 70 LYS CB C 13 32.282 0.300 . 1 . . . . 283 LYS CB . 18095 1
898 . 1 1 70 70 LYS CG C 13 25.143 0.300 . 1 . . . . 283 LYS CG . 18095 1
899 . 1 1 70 70 LYS CD C 13 29.812 0.300 . 1 . . . . 283 LYS CD . 18095 1
900 . 1 1 70 70 LYS CE C 13 42.039 0.300 . 1 . . . . 283 LYS CE . 18095 1
901 . 1 1 70 70 LYS N N 15 121.568 0.300 . 1 . . . . 283 LYS N . 18095 1
902 . 1 1 71 71 VAL H H 1 7.910 0.020 . 1 . . . . 284 VAL H . 18095 1
903 . 1 1 71 71 VAL HA H 1 3.243 0.020 . 1 . . . . 284 VAL HA . 18095 1
904 . 1 1 71 71 VAL HB H 1 2.432 0.020 . 1 . . . . 284 VAL HB . 18095 1
905 . 1 1 71 71 VAL HG11 H 1 0.907 0.020 . 1 . . . . 284 VAL HG11 . 18095 1
906 . 1 1 71 71 VAL HG12 H 1 0.907 0.020 . 1 . . . . 284 VAL HG12 . 18095 1
907 . 1 1 71 71 VAL HG13 H 1 0.907 0.020 . 1 . . . . 284 VAL HG13 . 18095 1
908 . 1 1 71 71 VAL HG21 H 1 0.525 0.020 . 1 . . . . 284 VAL HG21 . 18095 1
909 . 1 1 71 71 VAL HG22 H 1 0.525 0.020 . 1 . . . . 284 VAL HG22 . 18095 1
910 . 1 1 71 71 VAL HG23 H 1 0.525 0.020 . 1 . . . . 284 VAL HG23 . 18095 1
911 . 1 1 71 71 VAL C C 13 177.360 0.300 . 1 . . . . 284 VAL C . 18095 1
912 . 1 1 71 71 VAL CA C 13 67.104 0.300 . 1 . . . . 284 VAL CA . 18095 1
913 . 1 1 71 71 VAL CB C 13 31.233 0.300 . 1 . . . . 284 VAL CB . 18095 1
914 . 1 1 71 71 VAL CG1 C 13 21.019 0.300 . 1 . . . . 284 VAL CG1 . 18095 1
915 . 1 1 71 71 VAL CG2 C 13 22.371 0.300 . 1 . . . . 284 VAL CG2 . 18095 1
916 . 1 1 71 71 VAL N N 15 120.437 0.300 . 1 . . . . 284 VAL N . 18095 1
917 . 1 1 72 72 ALA H H 1 8.114 0.020 . 1 . . . . 285 ALA H . 18095 1
918 . 1 1 72 72 ALA HA H 1 4.025 0.020 . 1 . . . . 285 ALA HA . 18095 1
919 . 1 1 72 72 ALA HB1 H 1 1.532 0.020 . 1 . . . . 285 ALA HB1 . 18095 1
920 . 1 1 72 72 ALA HB2 H 1 1.532 0.020 . 1 . . . . 285 ALA HB2 . 18095 1
921 . 1 1 72 72 ALA HB3 H 1 1.532 0.020 . 1 . . . . 285 ALA HB3 . 18095 1
922 . 1 1 72 72 ALA C C 13 179.268 0.300 . 1 . . . . 285 ALA C . 18095 1
923 . 1 1 72 72 ALA CA C 13 55.736 0.300 . 1 . . . . 285 ALA CA . 18095 1
924 . 1 1 72 72 ALA CB C 13 18.458 0.300 . 1 . . . . 285 ALA CB . 18095 1
925 . 1 1 72 72 ALA N N 15 119.442 0.300 . 1 . . . . 285 ALA N . 18095 1
926 . 1 1 73 73 ASN H H 1 8.245 0.020 . 1 . . . . 286 ASN H . 18095 1
927 . 1 1 73 73 ASN HA H 1 4.578 0.020 . 1 . . . . 286 ASN HA . 18095 1
928 . 1 1 73 73 ASN HB2 H 1 2.941 0.020 . 2 . . . . 286 ASN HB2 . 18095 1
929 . 1 1 73 73 ASN HB3 H 1 2.941 0.020 . 2 . . . . 286 ASN HB3 . 18095 1
930 . 1 1 73 73 ASN HD21 H 1 7.755 0.020 . 2 . . . . 286 ASN HD21 . 18095 1
931 . 1 1 73 73 ASN HD22 H 1 6.993 0.020 . 2 . . . . 286 ASN HD22 . 18095 1
932 . 1 1 73 73 ASN C C 13 180.117 0.300 . 1 . . . . 286 ASN C . 18095 1
933 . 1 1 73 73 ASN CA C 13 56.729 0.300 . 1 . . . . 286 ASN CA . 18095 1
934 . 1 1 73 73 ASN CB C 13 39.401 0.300 . 1 . . . . 286 ASN CB . 18095 1
935 . 1 1 73 73 ASN N N 15 117.215 0.300 . 1 . . . . 286 ASN N . 18095 1
936 . 1 1 73 73 ASN ND2 N 15 112.913 0.300 . 1 . . . . 286 ASN ND2 . 18095 1
937 . 1 1 74 74 ARG H H 1 8.750 0.020 . 1 . . . . 287 ARG H . 18095 1
938 . 1 1 74 74 ARG HA H 1 4.066 0.020 . 1 . . . . 287 ARG HA . 18095 1
939 . 1 1 74 74 ARG HB2 H 1 1.933 0.020 . 2 . . . . 287 ARG HB2 . 18095 1
940 . 1 1 74 74 ARG HB3 H 1 1.933 0.020 . 2 . . . . 287 ARG HB3 . 18095 1
941 . 1 1 74 74 ARG C C 13 178.070 0.300 . 1 . . . . 287 ARG C . 18095 1
942 . 1 1 74 74 ARG CA C 13 59.916 0.300 . 1 . . . . 287 ARG CA . 18095 1
943 . 1 1 74 74 ARG CB C 13 30.180 0.300 . 1 . . . . 287 ARG CB . 18095 1
944 . 1 1 74 74 ARG CG C 13 27.144 0.300 . 1 . . . . 287 ARG CG . 18095 1
945 . 1 1 74 74 ARG N N 15 121.814 0.300 . 1 . . . . 287 ARG N . 18095 1
946 . 1 1 75 75 MET H H 1 7.774 0.020 . 1 . . . . 288 MET H . 18095 1
947 . 1 1 75 75 MET HA H 1 4.176 0.020 . 1 . . . . 288 MET HA . 18095 1
948 . 1 1 75 75 MET HB2 H 1 2.410 0.020 . 2 . . . . 288 MET HB2 . 18095 1
949 . 1 1 75 75 MET HB3 H 1 2.104 0.020 . 2 . . . . 288 MET HB3 . 18095 1
950 . 1 1 75 75 MET HE1 H 1 1.908 0.020 . 1 . . . . 288 MET HE1 . 18095 1
951 . 1 1 75 75 MET HE2 H 1 1.908 0.020 . 1 . . . . 288 MET HE2 . 18095 1
952 . 1 1 75 75 MET HE3 H 1 1.908 0.020 . 1 . . . . 288 MET HE3 . 18095 1
953 . 1 1 75 75 MET C C 13 173.855 0.300 . 1 . . . . 288 MET C . 18095 1
954 . 1 1 75 75 MET CA C 13 56.453 0.300 . 1 . . . . 288 MET CA . 18095 1
955 . 1 1 75 75 MET CB C 13 33.441 0.300 . 1 . . . . 288 MET CB . 18095 1
956 . 1 1 75 75 MET CE C 13 17.128 0.300 . 1 . . . . 288 MET CE . 18095 1
957 . 1 1 75 75 MET N N 15 117.248 0.300 . 1 . . . . 288 MET N . 18095 1
958 . 1 1 76 76 GLN H H 1 7.901 0.020 . 1 . . . . 289 GLN H . 18095 1
959 . 1 1 76 76 GLN HA H 1 3.892 0.020 . 1 . . . . 289 GLN HA . 18095 1
960 . 1 1 76 76 GLN HB2 H 1 2.233 0.020 . 2 . . . . 289 GLN HB2 . 18095 1
961 . 1 1 76 76 GLN HB3 H 1 2.233 0.020 . 2 . . . . 289 GLN HB3 . 18095 1
962 . 1 1 76 76 GLN HG2 H 1 2.177 0.020 . 2 . . . . 289 GLN HG2 . 18095 1
963 . 1 1 76 76 GLN HG3 H 1 2.177 0.020 . 2 . . . . 289 GLN HG3 . 18095 1
964 . 1 1 76 76 GLN HE21 H 1 7.432 0.020 . 2 . . . . 289 GLN HE21 . 18095 1
965 . 1 1 76 76 GLN HE22 H 1 6.789 0.020 . 2 . . . . 289 GLN HE22 . 18095 1
966 . 1 1 76 76 GLN C C 13 175.617 0.300 . 1 . . . . 289 GLN C . 18095 1
967 . 1 1 76 76 GLN CA C 13 57.138 0.300 . 1 . . . . 289 GLN CA . 18095 1
968 . 1 1 76 76 GLN CB C 13 25.218 0.300 . 1 . . . . 289 GLN CB . 18095 1
969 . 1 1 76 76 GLN CG C 13 34.422 0.300 . 1 . . . . 289 GLN CG . 18095 1
970 . 1 1 76 76 GLN N N 15 110.683 0.300 . 1 . . . . 289 GLN N . 18095 1
971 . 1 1 76 76 GLN NE2 N 15 112.439 0.300 . 1 . . . . 289 GLN NE2 . 18095 1
972 . 1 1 77 77 TYR H H 1 7.913 0.020 . 1 . . . . 290 TYR H . 18095 1
973 . 1 1 77 77 TYR HA H 1 4.894 0.020 . 1 . . . . 290 TYR HA . 18095 1
974 . 1 1 77 77 TYR HB2 H 1 2.580 0.020 . 1 . . . . 290 TYR HB2 . 18095 1
975 . 1 1 77 77 TYR HB3 H 1 3.007 0.020 . 1 . . . . 290 TYR HB3 . 18095 1
976 . 1 1 77 77 TYR HD1 H 1 7.211 0.020 . 1 . . . . 290 TYR HD1 . 18095 1
977 . 1 1 77 77 TYR HD2 H 1 7.211 0.020 . 1 . . . . 290 TYR HD2 . 18095 1
978 . 1 1 77 77 TYR HE1 H 1 6.823 0.020 . 1 . . . . 290 TYR HE1 . 18095 1
979 . 1 1 77 77 TYR HE2 H 1 6.823 0.020 . 1 . . . . 290 TYR HE2 . 18095 1
980 . 1 1 77 77 TYR CA C 13 56.910 0.300 . 1 . . . . 290 TYR CA . 18095 1
981 . 1 1 77 77 TYR CB C 13 37.918 0.300 . 1 . . . . 290 TYR CB . 18095 1
982 . 1 1 77 77 TYR CD1 C 13 132.662 0.300 . 1 . . . . 290 TYR CD1 . 18095 1
983 . 1 1 77 77 TYR CE1 C 13 118.566 0.300 . 1 . . . . 290 TYR CE1 . 18095 1
984 . 1 1 77 77 TYR N N 15 118.584 0.300 . 1 . . . . 290 TYR N . 18095 1
985 . 1 1 78 78 PRO HA H 1 4.510 0.020 . 1 . . . . 291 PRO HA . 18095 1
986 . 1 1 78 78 PRO HB2 H 1 2.403 0.020 . 2 . . . . 291 PRO HB2 . 18095 1
987 . 1 1 78 78 PRO HB3 H 1 1.936 0.020 . 2 . . . . 291 PRO HB3 . 18095 1
988 . 1 1 78 78 PRO HG2 H 1 2.134 0.020 . 2 . . . . 291 PRO HG2 . 18095 1
989 . 1 1 78 78 PRO HG3 H 1 2.134 0.020 . 2 . . . . 291 PRO HG3 . 18095 1
990 . 1 1 78 78 PRO HD2 H 1 3.721 0.020 . 1 . . . . 291 PRO HD2 . 18095 1
991 . 1 1 78 78 PRO HD3 H 1 4.134 0.020 . 1 . . . . 291 PRO HD3 . 18095 1
992 . 1 1 78 78 PRO C C 13 177.157 0.300 . 1 . . . . 291 PRO C . 18095 1
993 . 1 1 78 78 PRO CA C 13 63.043 0.300 . 1 . . . . 291 PRO CA . 18095 1
994 . 1 1 78 78 PRO CB C 13 32.131 0.300 . 1 . . . . 291 PRO CB . 18095 1
995 . 1 1 78 78 PRO CG C 13 27.652 0.300 . 1 . . . . 291 PRO CG . 18095 1
996 . 1 1 78 78 PRO CD C 13 50.758 0.300 . 1 . . . . 291 PRO CD . 18095 1
997 . 1 1 79 79 SER H H 1 8.594 0.020 . 1 . . . . 292 SER H . 18095 1
998 . 1 1 79 79 SER HA H 1 4.740 0.020 . 1 . . . . 292 SER HA . 18095 1
999 . 1 1 79 79 SER HB2 H 1 3.984 0.020 . 2 . . . . 292 SER HB2 . 18095 1
1000 . 1 1 79 79 SER HB3 H 1 3.920 0.020 . 2 . . . . 292 SER HB3 . 18095 1
1001 . 1 1 79 79 SER CA C 13 58.109 0.300 . 1 . . . . 292 SER CA . 18095 1
1002 . 1 1 79 79 SER CB C 13 62.617 0.300 . 1 . . . . 292 SER CB . 18095 1
1003 . 1 1 79 79 SER N N 15 117.068 0.300 . 1 . . . . 292 SER N . 18095 1
1004 . 1 1 81 81 LYS HA H 1 4.224 0.020 . 1 . . . . 294 LYS HA . 18095 1
1005 . 1 1 81 81 LYS HB2 H 1 1.842 0.020 . 2 . . . . 294 LYS HB2 . 18095 1
1006 . 1 1 81 81 LYS HB3 H 1 1.842 0.020 . 2 . . . . 294 LYS HB3 . 18095 1
1007 . 1 1 81 81 LYS HG2 H 1 1.513 0.020 . 2 . . . . 294 LYS HG2 . 18095 1
1008 . 1 1 81 81 LYS HG3 H 1 1.513 0.020 . 2 . . . . 294 LYS HG3 . 18095 1
1009 . 1 1 81 81 LYS HD2 H 1 1.708 0.020 . 2 . . . . 294 LYS HD2 . 18095 1
1010 . 1 1 81 81 LYS HD3 H 1 1.708 0.020 . 2 . . . . 294 LYS HD3 . 18095 1
1011 . 1 1 81 81 LYS HE2 H 1 3.010 0.020 . 2 . . . . 294 LYS HE2 . 18095 1
1012 . 1 1 81 81 LYS HE3 H 1 3.010 0.020 . 2 . . . . 294 LYS HE3 . 18095 1
1013 . 1 1 81 81 LYS C C 13 178.107 0.300 . 1 . . . . 294 LYS C . 18095 1
1014 . 1 1 81 81 LYS CA C 13 58.109 0.300 . 1 . . . . 294 LYS CA . 18095 1
1015 . 1 1 81 81 LYS CB C 13 32.392 0.300 . 1 . . . . 294 LYS CB . 18095 1
1016 . 1 1 81 81 LYS CG C 13 24.865 0.300 . 1 . . . . 294 LYS CG . 18095 1
1017 . 1 1 81 81 LYS CD C 13 29.197 0.300 . 1 . . . . 294 LYS CD . 18095 1
1018 . 1 1 81 81 LYS CE C 13 42.001 0.300 . 1 . . . . 294 LYS CE . 18095 1
1019 . 1 1 82 82 SER H H 1 8.223 0.020 . 1 . . . . 295 SER H . 18095 1
1020 . 1 1 82 82 SER HA H 1 3.892 0.020 . 1 . . . . 295 SER HA . 18095 1
1021 . 1 1 82 82 SER HB2 H 1 3.892 0.020 . 2 . . . . 295 SER HB2 . 18095 1
1022 . 1 1 82 82 SER HB3 H 1 3.892 0.020 . 2 . . . . 295 SER HB3 . 18095 1
1023 . 1 1 82 82 SER C C 13 180.569 0.300 . 1 . . . . 295 SER C . 18095 1
1024 . 1 1 82 82 SER CA C 13 59.599 0.300 . 1 . . . . 295 SER CA . 18095 1
1025 . 1 1 82 82 SER CB C 13 62.579 0.300 . 1 . . . . 295 SER CB . 18095 1
1026 . 1 1 82 82 SER N N 15 113.901 0.300 . 1 . . . . 295 SER N . 18095 1
1027 . 1 1 83 83 VAL H H 1 8.093 0.020 . 1 . . . . 296 VAL H . 18095 1
1028 . 1 1 83 83 VAL HA H 1 3.760 0.020 . 1 . . . . 296 VAL HA . 18095 1
1029 . 1 1 83 83 VAL HB H 1 1.857 0.020 . 1 . . . . 296 VAL HB . 18095 1
1030 . 1 1 83 83 VAL HG11 H 1 0.562 0.020 . 1 . . . . 296 VAL HG11 . 18095 1
1031 . 1 1 83 83 VAL HG12 H 1 0.562 0.020 . 1 . . . . 296 VAL HG12 . 18095 1
1032 . 1 1 83 83 VAL HG13 H 1 0.562 0.020 . 1 . . . . 296 VAL HG13 . 18095 1
1033 . 1 1 83 83 VAL HG21 H 1 0.789 0.020 . 1 . . . . 296 VAL HG21 . 18095 1
1034 . 1 1 83 83 VAL HG22 H 1 0.789 0.020 . 1 . . . . 296 VAL HG22 . 18095 1
1035 . 1 1 83 83 VAL HG23 H 1 0.789 0.020 . 1 . . . . 296 VAL HG23 . 18095 1
1036 . 1 1 83 83 VAL C C 13 177.830 0.300 . 1 . . . . 296 VAL C . 18095 1
1037 . 1 1 83 83 VAL CA C 13 65.247 0.300 . 1 . . . . 296 VAL CA . 18095 1
1038 . 1 1 83 83 VAL CB C 13 31.564 0.300 . 1 . . . . 296 VAL CB . 18095 1
1039 . 1 1 83 83 VAL CG1 C 13 21.278 0.300 . 1 . . . . 296 VAL CG1 . 18095 1
1040 . 1 1 83 83 VAL CG2 C 13 22.825 0.300 . 1 . . . . 296 VAL CG2 . 18095 1
1041 . 1 1 83 83 VAL N N 15 122.443 0.300 . 1 . . . . 296 VAL N . 18095 1
1042 . 1 1 84 84 GLY H H 1 8.725 0.020 . 1 . . . . 297 GLY H . 18095 1
1043 . 1 1 84 84 GLY HA2 H 1 3.590 0.020 . 1 . . . . 297 GLY HA2 . 18095 1
1044 . 1 1 84 84 GLY HA3 H 1 3.714 0.020 . 1 . . . . 297 GLY HA3 . 18095 1
1045 . 1 1 84 84 GLY C C 13 174.353 0.300 . 1 . . . . 297 GLY C . 18095 1
1046 . 1 1 84 84 GLY CA C 13 48.286 0.300 . 1 . . . . 297 GLY CA . 18095 1
1047 . 1 1 84 84 GLY N N 15 109.331 0.300 . 1 . . . . 297 GLY N . 18095 1
1048 . 1 1 85 85 ALA H H 1 7.739 0.020 . 1 . . . . 298 ALA H . 18095 1
1049 . 1 1 85 85 ALA HA H 1 3.856 0.020 . 1 . . . . 298 ALA HA . 18095 1
1050 . 1 1 85 85 ALA HB1 H 1 1.378 0.020 . 1 . . . . 298 ALA HB1 . 18095 1
1051 . 1 1 85 85 ALA HB2 H 1 1.378 0.020 . 1 . . . . 298 ALA HB2 . 18095 1
1052 . 1 1 85 85 ALA HB3 H 1 1.378 0.020 . 1 . . . . 298 ALA HB3 . 18095 1
1053 . 1 1 85 85 ALA C C 13 180.633 0.300 . 1 . . . . 298 ALA C . 18095 1
1054 . 1 1 85 85 ALA CA C 13 54.687 0.300 . 1 . . . . 298 ALA CA . 18095 1
1055 . 1 1 85 85 ALA CB C 13 18.016 0.300 . 1 . . . . 298 ALA CB . 18095 1
1056 . 1 1 85 85 ALA N N 15 121.568 0.300 . 1 . . . . 298 ALA N . 18095 1
1057 . 1 1 86 86 THR H H 1 7.697 0.020 . 1 . . . . 299 THR H . 18095 1
1058 . 1 1 86 86 THR HA H 1 3.750 0.020 . 1 . . . . 299 THR HA . 18095 1
1059 . 1 1 86 86 THR HB H 1 4.328 0.020 . 1 . . . . 299 THR HB . 18095 1
1060 . 1 1 86 86 THR HG21 H 1 1.188 0.020 . 1 . . . . 299 THR HG21 . 18095 1
1061 . 1 1 86 86 THR HG22 H 1 1.188 0.020 . 1 . . . . 299 THR HG22 . 18095 1
1062 . 1 1 86 86 THR HG23 H 1 1.188 0.020 . 1 . . . . 299 THR HG23 . 18095 1
1063 . 1 1 86 86 THR C C 13 175.285 0.300 . 1 . . . . 299 THR C . 18095 1
1064 . 1 1 86 86 THR CA C 13 66.001 0.300 . 1 . . . . 299 THR CA . 18095 1
1065 . 1 1 86 86 THR CB C 13 68.374 0.300 . 1 . . . . 299 THR CB . 18095 1
1066 . 1 1 86 86 THR CG2 C 13 22.813 0.300 . 1 . . . . 299 THR CG2 . 18095 1
1067 . 1 1 86 86 THR N N 15 118.554 0.300 . 1 . . . . 299 THR N . 18095 1
1068 . 1 1 87 87 LEU H H 1 8.235 0.020 . 1 . . . . 300 LEU H . 18095 1
1069 . 1 1 87 87 LEU HA H 1 3.900 0.020 . 1 . . . . 300 LEU HA . 18095 1
1070 . 1 1 87 87 LEU HB2 H 1 2.264 0.020 . 2 . . . . 300 LEU HB2 . 18095 1
1071 . 1 1 87 87 LEU HB3 H 1 1.533 0.020 . 2 . . . . 300 LEU HB3 . 18095 1
1072 . 1 1 87 87 LEU HG H 1 1.967 0.020 . 1 . . . . 300 LEU HG . 18095 1
1073 . 1 1 87 87 LEU HD11 H 1 1.058 0.020 . 1 . . . . 300 LEU HD11 . 18095 1
1074 . 1 1 87 87 LEU HD12 H 1 1.058 0.020 . 1 . . . . 300 LEU HD12 . 18095 1
1075 . 1 1 87 87 LEU HD13 H 1 1.058 0.020 . 1 . . . . 300 LEU HD13 . 18095 1
1076 . 1 1 87 87 LEU HD21 H 1 0.916 0.020 . 1 . . . . 300 LEU HD21 . 18095 1
1077 . 1 1 87 87 LEU HD22 H 1 0.916 0.020 . 1 . . . . 300 LEU HD22 . 18095 1
1078 . 1 1 87 87 LEU HD23 H 1 0.916 0.020 . 1 . . . . 300 LEU HD23 . 18095 1
1079 . 1 1 87 87 LEU C C 13 177.396 0.300 . 1 . . . . 300 LEU C . 18095 1
1080 . 1 1 87 87 LEU CA C 13 58.385 0.300 . 1 . . . . 300 LEU CA . 18095 1
1081 . 1 1 87 87 LEU CB C 13 41.183 0.300 . 1 . . . . 300 LEU CB . 18095 1
1082 . 1 1 87 87 LEU CG C 13 26.438 0.300 . 1 . . . . 300 LEU CG . 18095 1
1083 . 1 1 87 87 LEU CD1 C 13 26.322 0.300 . 1 . . . . 300 LEU CD1 . 18095 1
1084 . 1 1 87 87 LEU CD2 C 13 23.202 0.300 . 1 . . . . 300 LEU CD2 . 18095 1
1085 . 1 1 87 87 LEU N N 15 120.264 0.300 . 1 . . . . 300 LEU N . 18095 1
1086 . 1 1 88 88 LYS H H 1 7.562 0.020 . 1 . . . . 301 LYS H . 18095 1
1087 . 1 1 88 88 LYS HA H 1 1.850 0.020 . 1 . . . . 301 LYS HA . 18095 1
1088 . 1 1 88 88 LYS HB2 H 1 -0.252 0.020 . 1 . . . . 301 LYS HB2 . 18095 1
1089 . 1 1 88 88 LYS HB3 H 1 1.024 0.020 . 1 . . . . 301 LYS HB3 . 18095 1
1090 . 1 1 88 88 LYS HG2 H 1 0.689 0.020 . 1 . . . . 301 LYS HG2 . 18095 1
1091 . 1 1 88 88 LYS HG3 H 1 0.320 0.020 . 1 . . . . 301 LYS HG3 . 18095 1
1092 . 1 1 88 88 LYS HD2 H 1 1.216 0.020 . 2 . . . . 301 LYS HD2 . 18095 1
1093 . 1 1 88 88 LYS HD3 H 1 1.216 0.020 . 2 . . . . 301 LYS HD3 . 18095 1
1094 . 1 1 88 88 LYS HE2 H 1 3.024 0.020 . 2 . . . . 301 LYS HE2 . 18095 1
1095 . 1 1 88 88 LYS HE3 H 1 2.946 0.020 . 2 . . . . 301 LYS HE3 . 18095 1
1096 . 1 1 88 88 LYS C C 13 177.295 0.300 . 1 . . . . 301 LYS C . 18095 1
1097 . 1 1 88 88 LYS CA C 13 58.495 0.300 . 1 . . . . 301 LYS CA . 18095 1
1098 . 1 1 88 88 LYS CB C 13 32.464 0.300 . 1 . . . . 301 LYS CB . 18095 1
1099 . 1 1 88 88 LYS CG C 13 24.198 0.300 . 1 . . . . 301 LYS CG . 18095 1
1100 . 1 1 88 88 LYS CD C 13 30.650 0.300 . 1 . . . . 301 LYS CD . 18095 1
1101 . 1 1 88 88 LYS CE C 13 42.262 0.300 . 1 . . . . 301 LYS CE . 18095 1
1102 . 1 1 88 88 LYS N N 15 120.637 0.300 . 1 . . . . 301 LYS N . 18095 1
1103 . 1 1 89 89 ALA H H 1 7.042 0.020 . 1 . . . . 302 ALA H . 18095 1
1104 . 1 1 89 89 ALA HA H 1 4.040 0.020 . 1 . . . . 302 ALA HA . 18095 1
1105 . 1 1 89 89 ALA HB1 H 1 1.227 0.020 . 1 . . . . 302 ALA HB1 . 18095 1
1106 . 1 1 89 89 ALA HB2 H 1 1.227 0.020 . 1 . . . . 302 ALA HB2 . 18095 1
1107 . 1 1 89 89 ALA HB3 H 1 1.227 0.020 . 1 . . . . 302 ALA HB3 . 18095 1
1108 . 1 1 89 89 ALA C C 13 181.233 0.300 . 1 . . . . 302 ALA C . 18095 1
1109 . 1 1 89 89 ALA CA C 13 54.687 0.300 . 1 . . . . 302 ALA CA . 18095 1
1110 . 1 1 89 89 ALA CB C 13 17.685 0.300 . 1 . . . . 302 ALA CB . 18095 1
1111 . 1 1 89 89 ALA N N 15 118.934 0.300 . 1 . . . . 302 ALA N . 18095 1
1112 . 1 1 90 90 HIS H H 1 7.970 0.020 . 1 . . . . 303 HIS H . 18095 1
1113 . 1 1 90 90 HIS HA H 1 4.748 0.020 . 1 . . . . 303 HIS HA . 18095 1
1114 . 1 1 90 90 HIS HB2 H 1 2.908 0.020 . 2 . . . . 303 HIS HB2 . 18095 1
1115 . 1 1 90 90 HIS HB3 H 1 2.664 0.020 . 2 . . . . 303 HIS HB3 . 18095 1
1116 . 1 1 90 90 HIS C C 13 178.448 0.300 . 1 . . . . 303 HIS C . 18095 1
1117 . 1 1 90 90 HIS CA C 13 58.716 0.300 . 1 . . . . 303 HIS CA . 18095 1
1118 . 1 1 90 90 HIS CB C 13 31.078 0.300 . 1 . . . . 303 HIS CB . 18095 1
1119 . 1 1 90 90 HIS N N 15 115.831 0.300 . 1 . . . . 303 HIS N . 18095 1
1120 . 1 1 91 91 TYR H H 1 9.226 0.020 . 1 . . . . 304 TYR H . 18095 1
1121 . 1 1 91 91 TYR HA H 1 3.789 0.020 . 1 . . . . 304 TYR HA . 18095 1
1122 . 1 1 91 91 TYR HB2 H 1 3.450 0.020 . 1 . . . . 304 TYR HB2 . 18095 1
1123 . 1 1 91 91 TYR HB3 H 1 3.214 0.020 . 1 . . . . 304 TYR HB3 . 18095 1
1124 . 1 1 91 91 TYR HD1 H 1 7.139 0.020 . 1 . . . . 304 TYR HD1 . 18095 1
1125 . 1 1 91 91 TYR HD2 H 1 7.139 0.020 . 1 . . . . 304 TYR HD2 . 18095 1
1126 . 1 1 91 91 TYR HE1 H 1 7.350 0.020 . 1 . . . . 304 TYR HE1 . 18095 1
1127 . 1 1 91 91 TYR HE2 H 1 7.350 0.020 . 1 . . . . 304 TYR HE2 . 18095 1
1128 . 1 1 91 91 TYR C C 13 179.914 0.300 . 1 . . . . 304 TYR C . 18095 1
1129 . 1 1 91 91 TYR CA C 13 63.020 0.300 . 1 . . . . 304 TYR CA . 18095 1
1130 . 1 1 91 91 TYR CB C 13 39.897 0.300 . 1 . . . . 304 TYR CB . 18095 1
1131 . 1 1 91 91 TYR CD1 C 13 133.489 0.300 . 1 . . . . 304 TYR CD1 . 18095 1
1132 . 1 1 91 91 TYR CE1 C 13 120.041 0.300 . 1 . . . . 304 TYR CE1 . 18095 1
1133 . 1 1 91 91 TYR N N 15 122.513 0.300 . 1 . . . . 304 TYR N . 18095 1
1134 . 1 1 92 92 GLU H H 1 8.955 0.020 . 1 . . . . 305 GLU H . 18095 1
1135 . 1 1 92 92 GLU HA H 1 4.055 0.020 . 1 . . . . 305 GLU HA . 18095 1
1136 . 1 1 92 92 GLU HB2 H 1 2.039 0.020 . 1 . . . . 305 GLU HB2 . 18095 1
1137 . 1 1 92 92 GLU HB3 H 1 2.315 0.020 . 1 . . . . 305 GLU HB3 . 18095 1
1138 . 1 1 92 92 GLU HG2 H 1 2.590 0.020 . 1 . . . . 305 GLU HG2 . 18095 1
1139 . 1 1 92 92 GLU HG3 H 1 2.464 0.020 . 1 . . . . 305 GLU HG3 . 18095 1
1140 . 1 1 92 92 GLU C C 13 177.977 0.300 . 1 . . . . 305 GLU C . 18095 1
1141 . 1 1 92 92 GLU CA C 13 59.875 0.300 . 1 . . . . 305 GLU CA . 18095 1
1142 . 1 1 92 92 GLU CB C 13 30.225 0.300 . 1 . . . . 305 GLU CB . 18095 1
1143 . 1 1 92 92 GLU CG C 13 37.204 0.300 . 1 . . . . 305 GLU CG . 18095 1
1144 . 1 1 92 92 GLU N N 15 119.209 0.300 . 1 . . . . 305 GLU N . 18095 1
1145 . 1 1 93 93 ARG H H 1 7.963 0.020 . 1 . . . . 306 ARG H . 18095 1
1146 . 1 1 93 93 ARG HA H 1 4.353 0.020 . 1 . . . . 306 ARG HA . 18095 1
1147 . 1 1 93 93 ARG HB2 H 1 1.974 0.020 . 2 . . . . 306 ARG HB2 . 18095 1
1148 . 1 1 93 93 ARG HB3 H 1 1.974 0.020 . 2 . . . . 306 ARG HB3 . 18095 1
1149 . 1 1 93 93 ARG HG2 H 1 2.132 0.020 . 1 . . . . 306 ARG HG2 . 18095 1
1150 . 1 1 93 93 ARG HG3 H 1 1.801 0.020 . 1 . . . . 306 ARG HG3 . 18095 1
1151 . 1 1 93 93 ARG HD2 H 1 3.214 0.020 . 2 . . . . 306 ARG HD2 . 18095 1
1152 . 1 1 93 93 ARG HD3 H 1 3.214 0.020 . 2 . . . . 306 ARG HD3 . 18095 1
1153 . 1 1 93 93 ARG C C 13 177.618 0.300 . 1 . . . . 306 ARG C . 18095 1
1154 . 1 1 93 93 ARG CA C 13 58.661 0.300 . 1 . . . . 306 ARG CA . 18095 1
1155 . 1 1 93 93 ARG CB C 13 31.951 0.300 . 1 . . . . 306 ARG CB . 18095 1
1156 . 1 1 93 93 ARG CG C 13 28.039 0.300 . 1 . . . . 306 ARG CG . 18095 1
1157 . 1 1 93 93 ARG CD C 13 43.340 0.300 . 1 . . . . 306 ARG CD . 18095 1
1158 . 1 1 93 93 ARG N N 15 115.344 0.300 . 1 . . . . 306 ARG N . 18095 1
1159 . 1 1 94 94 ILE H H 1 8.483 0.020 . 1 . . . . 307 ILE H . 18095 1
1160 . 1 1 94 94 ILE HA H 1 4.272 0.020 . 1 . . . . 307 ILE HA . 18095 1
1161 . 1 1 94 94 ILE HB H 1 1.753 0.020 . 1 . . . . 307 ILE HB . 18095 1
1162 . 1 1 94 94 ILE HG12 H 1 1.807 0.020 . 1 . . . . 307 ILE HG12 . 18095 1
1163 . 1 1 94 94 ILE HG13 H 1 0.826 0.020 . 1 . . . . 307 ILE HG13 . 18095 1
1164 . 1 1 94 94 ILE HG21 H 1 0.830 0.020 . 1 . . . . 307 ILE HG21 . 18095 1
1165 . 1 1 94 94 ILE HG22 H 1 0.830 0.020 . 1 . . . . 307 ILE HG22 . 18095 1
1166 . 1 1 94 94 ILE HG23 H 1 0.830 0.020 . 1 . . . . 307 ILE HG23 . 18095 1
1167 . 1 1 94 94 ILE HD11 H 1 0.779 0.020 . 1 . . . . 307 ILE HD11 . 18095 1
1168 . 1 1 94 94 ILE HD12 H 1 0.779 0.020 . 1 . . . . 307 ILE HD12 . 18095 1
1169 . 1 1 94 94 ILE HD13 H 1 0.779 0.020 . 1 . . . . 307 ILE HD13 . 18095 1
1170 . 1 1 94 94 ILE C C 13 176.843 0.300 . 1 . . . . 307 ILE C . 18095 1
1171 . 1 1 94 94 ILE CA C 13 64.037 0.300 . 1 . . . . 307 ILE CA . 18095 1
1172 . 1 1 94 94 ILE CB C 13 40.427 0.300 . 1 . . . . 307 ILE CB . 18095 1
1173 . 1 1 94 94 ILE CG1 C 13 27.959 0.300 . 1 . . . . 307 ILE CG1 . 18095 1
1174 . 1 1 94 94 ILE CG2 C 13 18.424 0.300 . 1 . . . . 307 ILE CG2 . 18095 1
1175 . 1 1 94 94 ILE CD1 C 13 14.461 0.300 . 1 . . . . 307 ILE CD1 . 18095 1
1176 . 1 1 94 94 ILE N N 15 113.560 0.300 . 1 . . . . 307 ILE N . 18095 1
1177 . 1 1 95 95 LEU H H 1 7.531 0.020 . 1 . . . . 308 LEU H . 18095 1
1178 . 1 1 95 95 LEU HA H 1 4.615 0.020 . 1 . . . . 308 LEU HA . 18095 1
1179 . 1 1 95 95 LEU HB2 H 1 1.222 0.020 . 1 . . . . 308 LEU HB2 . 18095 1
1180 . 1 1 95 95 LEU HB3 H 1 1.110 0.020 . 1 . . . . 308 LEU HB3 . 18095 1
1181 . 1 1 95 95 LEU HG H 1 1.807 0.020 . 1 . . . . 308 LEU HG . 18095 1
1182 . 1 1 95 95 LEU C C 13 178.595 0.300 . 1 . . . . 308 LEU C . 18095 1
1183 . 1 1 95 95 LEU CA C 13 56.453 0.300 . 1 . . . . 308 LEU CA . 18095 1
1184 . 1 1 95 95 LEU CB C 13 43.376 0.300 . 1 . . . . 308 LEU CB . 18095 1
1185 . 1 1 95 95 LEU CG C 13 27.199 0.300 . 1 . . . . 308 LEU CG . 18095 1
1186 . 1 1 95 95 LEU N N 15 116.991 0.300 . 1 . . . . 308 LEU N . 18095 1
1187 . 1 1 96 96 HIS H H 1 8.995 0.020 . 1 . . . . 309 HIS H . 18095 1
1188 . 1 1 96 96 HIS HA H 1 4.895 0.020 . 1 . . . . 309 HIS HA . 18095 1
1189 . 1 1 96 96 HIS HB2 H 1 3.402 0.020 . 2 . . . . 309 HIS HB2 . 18095 1
1190 . 1 1 96 96 HIS HB3 H 1 2.929 0.020 . 2 . . . . 309 HIS HB3 . 18095 1
1191 . 1 1 96 96 HIS CA C 13 61.036 0.300 . 1 . . . . 309 HIS CA . 18095 1
1192 . 1 1 96 96 HIS CB C 13 28.143 0.300 . 1 . . . . 309 HIS CB . 18095 1
1193 . 1 1 96 96 HIS N N 15 120.003 0.300 . 1 . . . . 309 HIS N . 18095 1
1194 . 1 1 97 97 PRO HA H 1 4.025 0.020 . 1 . . . . 310 PRO HA . 18095 1
1195 . 1 1 97 97 PRO HB2 H 1 2.189 0.020 . 2 . . . . 310 PRO HB2 . 18095 1
1196 . 1 1 97 97 PRO HB3 H 1 1.931 0.020 . 2 . . . . 310 PRO HB3 . 18095 1
1197 . 1 1 97 97 PRO HG2 H 1 2.132 0.020 . 2 . . . . 310 PRO HG2 . 18095 1
1198 . 1 1 97 97 PRO HG3 H 1 2.132 0.020 . 2 . . . . 310 PRO HG3 . 18095 1
1199 . 1 1 97 97 PRO HD2 H 1 3.365 0.020 . 1 . . . . 310 PRO HD2 . 18095 1
1200 . 1 1 97 97 PRO HD3 H 1 4.136 0.020 . 1 . . . . 310 PRO HD3 . 18095 1
1201 . 1 1 97 97 PRO C C 13 179.398 0.300 . 1 . . . . 310 PRO C . 18095 1
1202 . 1 1 97 97 PRO CA C 13 59.146 0.300 . 1 . . . . 310 PRO CA . 18095 1
1203 . 1 1 97 97 PRO CB C 13 31.957 0.300 . 1 . . . . 310 PRO CB . 18095 1
1204 . 1 1 97 97 PRO CG C 13 27.699 0.300 . 1 . . . . 310 PRO CG . 18095 1
1205 . 1 1 97 97 PRO CD C 13 50.765 0.300 . 1 . . . . 310 PRO CD . 18095 1
1206 . 1 1 98 98 PHE H H 1 7.967 0.020 . 1 . . . . 311 PHE H . 18095 1
1207 . 1 1 98 98 PHE HA H 1 2.744 0.020 . 1 . . . . 311 PHE HA . 18095 1
1208 . 1 1 98 98 PHE HB2 H 1 3.044 0.020 . 2 . . . . 311 PHE HB2 . 18095 1
1209 . 1 1 98 98 PHE HB3 H 1 2.432 0.020 . 2 . . . . 311 PHE HB3 . 18095 1
1210 . 1 1 98 98 PHE HD1 H 1 6.603 0.020 . 1 . . . . 311 PHE HD1 . 18095 1
1211 . 1 1 98 98 PHE HD2 H 1 6.603 0.020 . 1 . . . . 311 PHE HD2 . 18095 1
1212 . 1 1 98 98 PHE HE1 H 1 6.999 0.020 . 1 . . . . 311 PHE HE1 . 18095 1
1213 . 1 1 98 98 PHE HE2 H 1 6.999 0.020 . 1 . . . . 311 PHE HE2 . 18095 1
1214 . 1 1 98 98 PHE C C 13 176.659 0.300 . 1 . . . . 311 PHE C . 18095 1
1215 . 1 1 98 98 PHE CA C 13 59.448 0.300 . 1 . . . . 311 PHE CA . 18095 1
1216 . 1 1 98 98 PHE CB C 13 38.849 0.300 . 1 . . . . 311 PHE CB . 18095 1
1217 . 1 1 98 98 PHE CD1 C 13 131.023 0.300 . 1 . . . . 311 PHE CD1 . 18095 1
1218 . 1 1 98 98 PHE CE1 C 13 131.269 0.300 . 1 . . . . 311 PHE CE1 . 18095 1
1219 . 1 1 98 98 PHE N N 15 119.891 0.300 . 1 . . . . 311 PHE N . 18095 1
1220 . 1 1 99 99 GLU H H 1 8.248 0.020 . 1 . . . . 312 GLU H . 18095 1
1221 . 1 1 99 99 GLU HA H 1 3.739 0.020 . 1 . . . . 312 GLU HA . 18095 1
1222 . 1 1 99 99 GLU HB2 H 1 2.425 0.020 . 2 . . . . 312 GLU HB2 . 18095 1
1223 . 1 1 99 99 GLU HB3 H 1 2.159 0.020 . 2 . . . . 312 GLU HB3 . 18095 1
1224 . 1 1 99 99 GLU HG2 H 1 2.707 0.020 . 2 . . . . 312 GLU HG2 . 18095 1
1225 . 1 1 99 99 GLU HG3 H 1 2.662 0.020 . 2 . . . . 312 GLU HG3 . 18095 1
1226 . 1 1 99 99 GLU C C 13 179.130 0.300 . 1 . . . . 312 GLU C . 18095 1
1227 . 1 1 99 99 GLU CA C 13 58.882 0.300 . 1 . . . . 312 GLU CA . 18095 1
1228 . 1 1 99 99 GLU CB C 13 28.936 0.300 . 1 . . . . 312 GLU CB . 18095 1
1229 . 1 1 99 99 GLU CG C 13 35.814 0.300 . 1 . . . . 312 GLU CG . 18095 1
1230 . 1 1 99 99 GLU N N 15 122.354 0.300 . 1 . . . . 312 GLU N . 18095 1
1231 . 1 1 100 100 VAL H H 1 7.916 0.020 . 1 . . . . 313 VAL H . 18095 1
1232 . 1 1 100 100 VAL HA H 1 3.575 0.020 . 1 . . . . 313 VAL HA . 18095 1
1233 . 1 1 100 100 VAL HB H 1 1.835 0.020 . 1 . . . . 313 VAL HB . 18095 1
1234 . 1 1 100 100 VAL HG11 H 1 0.813 0.020 . 1 . . . . 313 VAL HG11 . 18095 1
1235 . 1 1 100 100 VAL HG12 H 1 0.813 0.020 . 1 . . . . 313 VAL HG12 . 18095 1
1236 . 1 1 100 100 VAL HG13 H 1 0.813 0.020 . 1 . . . . 313 VAL HG13 . 18095 1
1237 . 1 1 100 100 VAL HG21 H 1 0.628 0.020 . 1 . . . . 313 VAL HG21 . 18095 1
1238 . 1 1 100 100 VAL HG22 H 1 0.628 0.020 . 1 . . . . 313 VAL HG22 . 18095 1
1239 . 1 1 100 100 VAL HG23 H 1 0.628 0.020 . 1 . . . . 313 VAL HG23 . 18095 1
1240 . 1 1 100 100 VAL C C 13 178.549 0.300 . 1 . . . . 313 VAL C . 18095 1
1241 . 1 1 100 100 VAL CA C 13 65.614 0.300 . 1 . . . . 313 VAL CA . 18095 1
1242 . 1 1 100 100 VAL CB C 13 31.895 0.300 . 1 . . . . 313 VAL CB . 18095 1
1243 . 1 1 100 100 VAL CG1 C 13 20.991 0.300 . 1 . . . . 313 VAL CG1 . 18095 1
1244 . 1 1 100 100 VAL CG2 C 13 21.898 0.300 . 1 . . . . 313 VAL CG2 . 18095 1
1245 . 1 1 100 100 VAL N N 15 119.330 0.300 . 1 . . . . 313 VAL N . 18095 1
1246 . 1 1 101 101 TYR H H 1 7.397 0.020 . 1 . . . . 314 TYR H . 18095 1
1247 . 1 1 101 101 TYR HA H 1 4.179 0.020 . 1 . . . . 314 TYR HA . 18095 1
1248 . 1 1 101 101 TYR HB2 H 1 3.059 0.020 . 2 . . . . 314 TYR HB2 . 18095 1
1249 . 1 1 101 101 TYR HB3 H 1 2.617 0.020 . 2 . . . . 314 TYR HB3 . 18095 1
1250 . 1 1 101 101 TYR HD1 H 1 6.991 0.020 . 1 . . . . 314 TYR HD1 . 18095 1
1251 . 1 1 101 101 TYR HD2 H 1 6.991 0.020 . 1 . . . . 314 TYR HD2 . 18095 1
1252 . 1 1 101 101 TYR HE1 H 1 6.838 0.020 . 1 . . . . 314 TYR HE1 . 18095 1
1253 . 1 1 101 101 TYR HE2 H 1 6.838 0.020 . 1 . . . . 314 TYR HE2 . 18095 1
1254 . 1 1 101 101 TYR C C 13 177.664 0.300 . 1 . . . . 314 TYR C . 18095 1
1255 . 1 1 101 101 TYR CA C 13 60.744 0.300 . 1 . . . . 314 TYR CA . 18095 1
1256 . 1 1 101 101 TYR CB C 13 39.361 0.300 . 1 . . . . 314 TYR CB . 18095 1
1257 . 1 1 101 101 TYR CD1 C 13 133.663 0.300 . 1 . . . . 314 TYR CD1 . 18095 1
1258 . 1 1 101 101 TYR CE1 C 13 118.180 0.300 . 1 . . . . 314 TYR CE1 . 18095 1
1259 . 1 1 101 101 TYR N N 15 120.958 0.300 . 1 . . . . 314 TYR N . 18095 1
1260 . 1 1 102 102 THR H H 1 7.851 0.020 . 1 . . . . 315 THR H . 18095 1
1261 . 1 1 102 102 THR HA H 1 3.715 0.020 . 1 . . . . 315 THR HA . 18095 1
1262 . 1 1 102 102 THR HB H 1 3.951 0.020 . 1 . . . . 315 THR HB . 18095 1
1263 . 1 1 102 102 THR HG21 H 1 0.802 0.020 . 1 . . . . 315 THR HG21 . 18095 1
1264 . 1 1 102 102 THR HG22 H 1 0.802 0.020 . 1 . . . . 315 THR HG22 . 18095 1
1265 . 1 1 102 102 THR HG23 H 1 0.802 0.020 . 1 . . . . 315 THR HG23 . 18095 1
1266 . 1 1 102 102 THR C C 13 175.653 0.300 . 1 . . . . 315 THR C . 18095 1
1267 . 1 1 102 102 THR CA C 13 63.885 0.300 . 1 . . . . 315 THR CA . 18095 1
1268 . 1 1 102 102 THR CB C 13 69.201 0.300 . 1 . . . . 315 THR CB . 18095 1
1269 . 1 1 102 102 THR CG2 C 13 21.899 0.300 . 1 . . . . 315 THR CG2 . 18095 1
1270 . 1 1 102 102 THR N N 15 110.904 0.300 . 1 . . . . 315 THR N . 18095 1
1271 . 1 1 103 103 SER H H 1 7.668 0.020 . 1 . . . . 316 SER H . 18095 1
1272 . 1 1 103 103 SER HA H 1 4.261 0.020 . 1 . . . . 316 SER HA . 18095 1
1273 . 1 1 103 103 SER HB2 H 1 3.944 0.020 . 2 . . . . 316 SER HB2 . 18095 1
1274 . 1 1 103 103 SER HB3 H 1 3.944 0.020 . 2 . . . . 316 SER HB3 . 18095 1
1275 . 1 1 103 103 SER C C 13 175.220 0.300 . 1 . . . . 316 SER C . 18095 1
1276 . 1 1 103 103 SER CA C 13 59.971 0.300 . 1 . . . . 316 SER CA . 18095 1
1277 . 1 1 103 103 SER CB C 13 63.498 0.300 . 1 . . . . 316 SER CB . 18095 1
1278 . 1 1 103 103 SER N N 15 116.462 0.300 . 1 . . . . 316 SER N . 18095 1
1279 . 1 1 104 104 GLY H H 1 7.915 0.020 . 1 . . . . 317 GLY H . 18095 1
1280 . 1 1 104 104 GLY HA2 H 1 3.907 0.020 . 2 . . . . 317 GLY HA2 . 18095 1
1281 . 1 1 104 104 GLY HA3 H 1 3.907 0.020 . 2 . . . . 317 GLY HA3 . 18095 1
1282 . 1 1 104 104 GLY C C 13 173.994 0.300 . 1 . . . . 317 GLY C . 18095 1
1283 . 1 1 104 104 GLY CA C 13 45.471 0.300 . 1 . . . . 317 GLY CA . 18095 1
1284 . 1 1 104 104 GLY N N 15 109.331 0.300 . 1 . . . . 317 GLY N . 18095 1
1285 . 1 1 105 105 LYS H H 1 7.667 0.020 . 1 . . . . 318 LYS H . 18095 1
1286 . 1 1 105 105 LYS HA H 1 4.313 0.020 . 1 . . . . 318 LYS HA . 18095 1
1287 . 1 1 105 105 LYS HB2 H 1 1.742 0.020 . 2 . . . . 318 LYS HB2 . 18095 1
1288 . 1 1 105 105 LYS HB3 H 1 1.628 0.020 . 2 . . . . 318 LYS HB3 . 18095 1
1289 . 1 1 105 105 LYS HG2 H 1 1.291 0.020 . 2 . . . . 318 LYS HG2 . 18095 1
1290 . 1 1 105 105 LYS HG3 H 1 1.291 0.020 . 2 . . . . 318 LYS HG3 . 18095 1
1291 . 1 1 105 105 LYS HD2 H 1 1.568 0.020 . 2 . . . . 318 LYS HD2 . 18095 1
1292 . 1 1 105 105 LYS HD3 H 1 1.568 0.020 . 2 . . . . 318 LYS HD3 . 18095 1
1293 . 1 1 105 105 LYS HE2 H 1 2.888 0.020 . 2 . . . . 318 LYS HE2 . 18095 1
1294 . 1 1 105 105 LYS HE3 H 1 2.888 0.020 . 2 . . . . 318 LYS HE3 . 18095 1
1295 . 1 1 105 105 LYS C C 13 175.875 0.300 . 1 . . . . 318 LYS C . 18095 1
1296 . 1 1 105 105 LYS CA C 13 56.053 0.300 . 1 . . . . 318 LYS CA . 18095 1
1297 . 1 1 105 105 LYS CB C 13 33.275 0.300 . 1 . . . . 318 LYS CB . 18095 1
1298 . 1 1 105 105 LYS CG C 13 24.582 0.300 . 1 . . . . 318 LYS CG . 18095 1
1299 . 1 1 105 105 LYS CD C 13 28.867 0.300 . 1 . . . . 318 LYS CD . 18095 1
1300 . 1 1 105 105 LYS CE C 13 41.984 0.300 . 1 . . . . 318 LYS CE . 18095 1
1301 . 1 1 105 105 LYS N N 15 120.383 0.300 . 1 . . . . 318 LYS N . 18095 1
1302 . 1 1 106 106 VAL H H 1 8.065 0.020 . 1 . . . . 319 VAL H . 18095 1
1303 . 1 1 106 106 VAL HA H 1 4.077 0.020 . 1 . . . . 319 VAL HA . 18095 1
1304 . 1 1 106 106 VAL HB H 1 2.063 0.020 . 1 . . . . 319 VAL HB . 18095 1
1305 . 1 1 106 106 VAL HG11 H 1 0.916 0.020 . 2 . . . . 319 VAL HG11 . 18095 1
1306 . 1 1 106 106 VAL HG12 H 1 0.916 0.020 . 2 . . . . 319 VAL HG12 . 18095 1
1307 . 1 1 106 106 VAL HG13 H 1 0.916 0.020 . 2 . . . . 319 VAL HG13 . 18095 1
1308 . 1 1 106 106 VAL HG21 H 1 0.916 0.020 . 2 . . . . 319 VAL HG21 . 18095 1
1309 . 1 1 106 106 VAL HG22 H 1 0.916 0.020 . 2 . . . . 319 VAL HG22 . 18095 1
1310 . 1 1 106 106 VAL HG23 H 1 0.916 0.020 . 2 . . . . 319 VAL HG23 . 18095 1
1311 . 1 1 106 106 VAL C C 13 175.174 0.300 . 1 . . . . 319 VAL C . 18095 1
1312 . 1 1 106 106 VAL CA C 13 62.560 0.300 . 1 . . . . 319 VAL CA . 18095 1
1313 . 1 1 106 106 VAL CB C 13 32.889 0.300 . 1 . . . . 319 VAL CB . 18095 1
1314 . 1 1 106 106 VAL CG1 C 13 20.808 0.300 . 1 . . . . 319 VAL CG1 . 18095 1
1315 . 1 1 106 106 VAL N N 15 121.568 0.300 . 1 . . . . 319 VAL N . 18095 1
1316 . 1 1 107 107 LEU H H 1 7.965 0.020 . 1 . . . . 320 LEU H . 18095 1
1317 . 1 1 107 107 LEU HA H 1 4.207 0.020 . 1 . . . . 320 LEU HA . 18095 1
1318 . 1 1 107 107 LEU HB2 H 1 1.600 0.020 . 2 . . . . 320 LEU HB2 . 18095 1
1319 . 1 1 107 107 LEU HB3 H 1 1.600 0.020 . 2 . . . . 320 LEU HB3 . 18095 1
1320 . 1 1 107 107 LEU HG H 1 2.173 0.020 . 1 . . . . 320 LEU HG . 18095 1
1321 . 1 1 107 107 LEU CA C 13 56.729 0.300 . 1 . . . . 320 LEU CA . 18095 1
1322 . 1 1 107 107 LEU CB C 13 43.662 0.300 . 1 . . . . 320 LEU CB . 18095 1
1323 . 1 1 107 107 LEU CG C 13 27.310 0.300 . 1 . . . . 320 LEU CG . 18095 1
1324 . 1 1 107 107 LEU N N 15 131.888 0.300 . 1 . . . . 320 LEU N . 18095 1
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