data_19126
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 19126
_Entry.Title
;
Structure of full-length transmembrane domains of human glycine receptor 1 monomer subunit
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2013-03-28
_Entry.Accession_date 2013-03-28
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 David Mowrey . . . 19126
2 Tanxing Cui . . . 19126
3 Yuanyuan Jia . . . 19126
4 Dejian Ma . . . 19126
5 Alexander Makhov . M. . 19126
6 Peijun Zhang . . . 19126
7 Pei Tang . . . 19126
8 Yan Xu . . . 19126
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 'not applicable' 'not applicable' . 19126
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'anion channel' . 19126
'glycine receptor' . 19126
'NMR solution structure' . 19126
'transmembrane domain' . 19126
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 19126
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 283 19126
'15N chemical shifts' 155 19126
'1H chemical shifts' 707 19126
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
2 . . 2013-10-29 2013-03-28 update BMRB 'update entry citation' 19126
1 . . 2013-09-03 2013-03-28 original author 'original release' 19126
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2M6B 'monomer structure of the GlyR receptor' 19126
PDB 2M6I 'pentamer structure of the GlyR receptor' 19126
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 19126
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 23994010
_Citation.Full_citation .
_Citation.Title 'Open-Channel Structures of the Human Glycine Receptor 1 Full-Length Transmembrane Domain.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev Structure
_Citation.Journal_name_full 'Structure (London, England : 1993)'
_Citation.Journal_volume 21
_Citation.Journal_issue 10
_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 1897
_Citation.Page_last 1904
_Citation.Year 2013
_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 David Mowrey . D. . 19126 1
2 Tanxing Cui . . . 19126 1
3 Yuanyuan Jia . . . 19126 1
4 Dejian Ma . . . 19126 1
5 Alexander Makhov . M. . 19126 1
6 Peijun Zhang . . . 19126 1
7 Pei Tang . . . 19126 1
8 Yan Xu . . . 19126 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 19126
_Assembly.ID 1
_Assembly.Name GlyR
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 GlyR 1 $GlyR A . yes native no no . . . 19126 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_GlyR
_Entity.Sf_category entity
_Entity.Sf_framecode GlyR
_Entity.Entry_ID 19126
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name GlyR
_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
;
MLERQLGYYLIQLYIPSLLI
VILSWISFWINLDAAPARVG
LGITTVLTLTTQSSGSRASL
PKVSYVKAIDIWLAVCLLFV
FSALLEYAAVNFVSRQREFG
GGGFIQRAKKIDKISRIGFP
LAFLIFNLFYWIIYKIVRRE
DEFEHHHHHH
;
_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 150
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 17320.490
_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 2M6B . "Structure Of Full-length Transmembrane Domains Of Human Glycine Receptor Alpha1 Monomer Subunit" . . . . . 100.00 150 100.00 100.00 4.39e-103 . . . . 19126 1
2 no PDB 2M6I . "Putative Pentameric Open-channel Structure Of Full-length Transmembrane Domains Of Human Glycine Receptor Alpha1 Subunit" . . . . . 100.00 150 100.00 100.00 4.39e-103 . . . . 19126 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
1 215 MET . 19126 1
2 216 LEU . 19126 1
3 217 GLU . 19126 1
4 218 ARG . 19126 1
5 219 GLN . 19126 1
6 220 LEU . 19126 1
7 221 GLY . 19126 1
8 222 TYR . 19126 1
9 223 TYR . 19126 1
10 224 LEU . 19126 1
11 225 ILE . 19126 1
12 226 GLN . 19126 1
13 227 LEU . 19126 1
14 228 TYR . 19126 1
15 229 ILE . 19126 1
16 230 PRO . 19126 1
17 231 SER . 19126 1
18 232 LEU . 19126 1
19 233 LEU . 19126 1
20 234 ILE . 19126 1
21 235 VAL . 19126 1
22 236 ILE . 19126 1
23 237 LEU . 19126 1
24 238 SER . 19126 1
25 239 TRP . 19126 1
26 240 ILE . 19126 1
27 241 SER . 19126 1
28 242 PHE . 19126 1
29 243 TRP . 19126 1
30 244 ILE . 19126 1
31 245 ASN . 19126 1
32 246 LEU . 19126 1
33 247 ASP . 19126 1
34 248 ALA . 19126 1
35 249 ALA . 19126 1
36 250 PRO . 19126 1
37 251 ALA . 19126 1
38 252 ARG . 19126 1
39 253 VAL . 19126 1
40 254 GLY . 19126 1
41 255 LEU . 19126 1
42 256 GLY . 19126 1
43 257 ILE . 19126 1
44 258 THR . 19126 1
45 259 THR . 19126 1
46 260 VAL . 19126 1
47 261 LEU . 19126 1
48 262 THR . 19126 1
49 263 LEU . 19126 1
50 264 THR . 19126 1
51 265 THR . 19126 1
52 266 GLN . 19126 1
53 267 SER . 19126 1
54 268 SER . 19126 1
55 269 GLY . 19126 1
56 270 SER . 19126 1
57 271 ARG . 19126 1
58 272 ALA . 19126 1
59 273 SER . 19126 1
60 274 LEU . 19126 1
61 275 PRO . 19126 1
62 276 LYS . 19126 1
63 277 VAL . 19126 1
64 278 SER . 19126 1
65 279 TYR . 19126 1
66 280 VAL . 19126 1
67 281 LYS . 19126 1
68 282 ALA . 19126 1
69 283 ILE . 19126 1
70 284 ASP . 19126 1
71 285 ILE . 19126 1
72 286 TRP . 19126 1
73 287 LEU . 19126 1
74 288 ALA . 19126 1
75 289 VAL . 19126 1
76 290 CYS . 19126 1
77 291 LEU . 19126 1
78 292 LEU . 19126 1
79 293 PHE . 19126 1
80 294 VAL . 19126 1
81 295 PHE . 19126 1
82 296 SER . 19126 1
83 297 ALA . 19126 1
84 298 LEU . 19126 1
85 299 LEU . 19126 1
86 300 GLU . 19126 1
87 301 TYR . 19126 1
88 302 ALA . 19126 1
89 303 ALA . 19126 1
90 304 VAL . 19126 1
91 305 ASN . 19126 1
92 306 PHE . 19126 1
93 307 VAL . 19126 1
94 308 SER . 19126 1
95 309 ARG . 19126 1
96 310 GLN . 19126 1
97 311 ARG . 19126 1
98 312 GLU . 19126 1
99 313 PHE . 19126 1
100 314 GLY . 19126 1
101 315 GLY . 19126 1
102 316 GLY . 19126 1
103 317 GLY . 19126 1
104 318 PHE . 19126 1
105 389 ILE . 19126 1
106 390 GLN . 19126 1
107 391 ARG . 19126 1
108 392 ALA . 19126 1
109 393 LYS . 19126 1
110 394 LYS . 19126 1
111 395 ILE . 19126 1
112 396 ASP . 19126 1
113 397 LYS . 19126 1
114 398 ILE . 19126 1
115 399 SER . 19126 1
116 400 ARG . 19126 1
117 401 ILE . 19126 1
118 402 GLY . 19126 1
119 403 PHE . 19126 1
120 404 PRO . 19126 1
121 405 LEU . 19126 1
122 406 ALA . 19126 1
123 407 PHE . 19126 1
124 408 LEU . 19126 1
125 409 ILE . 19126 1
126 410 PHE . 19126 1
127 411 ASN . 19126 1
128 412 LEU . 19126 1
129 413 PHE . 19126 1
130 414 TYR . 19126 1
131 415 TRP . 19126 1
132 416 ILE . 19126 1
133 417 ILE . 19126 1
134 418 TYR . 19126 1
135 419 LYS . 19126 1
136 420 ILE . 19126 1
137 421 VAL . 19126 1
138 422 ARG . 19126 1
139 423 ARG . 19126 1
140 424 GLU . 19126 1
141 425 ASP . 19126 1
142 426 GLU . 19126 1
143 427 PHE . 19126 1
144 428 GLU . 19126 1
145 429 HIS . 19126 1
146 430 HIS . 19126 1
147 431 HIS . 19126 1
148 432 HIS . 19126 1
149 433 HIS . 19126 1
150 434 HIS . 19126 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 19126 1
. LEU 2 2 19126 1
. GLU 3 3 19126 1
. ARG 4 4 19126 1
. GLN 5 5 19126 1
. LEU 6 6 19126 1
. GLY 7 7 19126 1
. TYR 8 8 19126 1
. TYR 9 9 19126 1
. LEU 10 10 19126 1
. ILE 11 11 19126 1
. GLN 12 12 19126 1
. LEU 13 13 19126 1
. TYR 14 14 19126 1
. ILE 15 15 19126 1
. PRO 16 16 19126 1
. SER 17 17 19126 1
. LEU 18 18 19126 1
. LEU 19 19 19126 1
. ILE 20 20 19126 1
. VAL 21 21 19126 1
. ILE 22 22 19126 1
. LEU 23 23 19126 1
. SER 24 24 19126 1
. TRP 25 25 19126 1
. ILE 26 26 19126 1
. SER 27 27 19126 1
. PHE 28 28 19126 1
. TRP 29 29 19126 1
. ILE 30 30 19126 1
. ASN 31 31 19126 1
. LEU 32 32 19126 1
. ASP 33 33 19126 1
. ALA 34 34 19126 1
. ALA 35 35 19126 1
. PRO 36 36 19126 1
. ALA 37 37 19126 1
. ARG 38 38 19126 1
. VAL 39 39 19126 1
. GLY 40 40 19126 1
. LEU 41 41 19126 1
. GLY 42 42 19126 1
. ILE 43 43 19126 1
. THR 44 44 19126 1
. THR 45 45 19126 1
. VAL 46 46 19126 1
. LEU 47 47 19126 1
. THR 48 48 19126 1
. LEU 49 49 19126 1
. THR 50 50 19126 1
. THR 51 51 19126 1
. GLN 52 52 19126 1
. SER 53 53 19126 1
. SER 54 54 19126 1
. GLY 55 55 19126 1
. SER 56 56 19126 1
. ARG 57 57 19126 1
. ALA 58 58 19126 1
. SER 59 59 19126 1
. LEU 60 60 19126 1
. PRO 61 61 19126 1
. LYS 62 62 19126 1
. VAL 63 63 19126 1
. SER 64 64 19126 1
. TYR 65 65 19126 1
. VAL 66 66 19126 1
. LYS 67 67 19126 1
. ALA 68 68 19126 1
. ILE 69 69 19126 1
. ASP 70 70 19126 1
. ILE 71 71 19126 1
. TRP 72 72 19126 1
. LEU 73 73 19126 1
. ALA 74 74 19126 1
. VAL 75 75 19126 1
. CYS 76 76 19126 1
. LEU 77 77 19126 1
. LEU 78 78 19126 1
. PHE 79 79 19126 1
. VAL 80 80 19126 1
. PHE 81 81 19126 1
. SER 82 82 19126 1
. ALA 83 83 19126 1
. LEU 84 84 19126 1
. LEU 85 85 19126 1
. GLU 86 86 19126 1
. TYR 87 87 19126 1
. ALA 88 88 19126 1
. ALA 89 89 19126 1
. VAL 90 90 19126 1
. ASN 91 91 19126 1
. PHE 92 92 19126 1
. VAL 93 93 19126 1
. SER 94 94 19126 1
. ARG 95 95 19126 1
. GLN 96 96 19126 1
. ARG 97 97 19126 1
. GLU 98 98 19126 1
. PHE 99 99 19126 1
. GLY 100 100 19126 1
. GLY 101 101 19126 1
. GLY 102 102 19126 1
. GLY 103 103 19126 1
. PHE 104 104 19126 1
. ILE 105 105 19126 1
. GLN 106 106 19126 1
. ARG 107 107 19126 1
. ALA 108 108 19126 1
. LYS 109 109 19126 1
. LYS 110 110 19126 1
. ILE 111 111 19126 1
. ASP 112 112 19126 1
. LYS 113 113 19126 1
. ILE 114 114 19126 1
. SER 115 115 19126 1
. ARG 116 116 19126 1
. ILE 117 117 19126 1
. GLY 118 118 19126 1
. PHE 119 119 19126 1
. PRO 120 120 19126 1
. LEU 121 121 19126 1
. ALA 122 122 19126 1
. PHE 123 123 19126 1
. LEU 124 124 19126 1
. ILE 125 125 19126 1
. PHE 126 126 19126 1
. ASN 127 127 19126 1
. LEU 128 128 19126 1
. PHE 129 129 19126 1
. TYR 130 130 19126 1
. TRP 131 131 19126 1
. ILE 132 132 19126 1
. ILE 133 133 19126 1
. TYR 134 134 19126 1
. LYS 135 135 19126 1
. ILE 136 136 19126 1
. VAL 137 137 19126 1
. ARG 138 138 19126 1
. ARG 139 139 19126 1
. GLU 140 140 19126 1
. ASP 141 141 19126 1
. GLU 142 142 19126 1
. PHE 143 143 19126 1
. GLU 144 144 19126 1
. HIS 145 145 19126 1
. HIS 146 146 19126 1
. HIS 147 147 19126 1
. HIS 148 148 19126 1
. HIS 149 149 19126 1
. HIS 150 150 19126 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 19126
_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 $GlyR . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19126 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 19126
_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 $GlyR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-31b(+) . . . . . . 19126 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 19126
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_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 GlyR 'natural abundance' . . 1 $GlyR . . 480 . . uM . . . . 19126 1
2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19126 1
3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19126 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 19126
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_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 GlyR 'natural abundance' . . 1 $GlyR . . 480 . . uM . . . . 19126 2
2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19126 2
3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19126 2
stop_
save_
save_sample_3
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3
_Sample.Entry_ID 19126
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_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 GlyR 'natural abundance' . . 1 $GlyR . . 480 . . uM . . . . 19126 3
2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19126 3
3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19126 3
stop_
save_
save_sample_4
_Sample.Sf_category sample
_Sample.Sf_framecode sample_4
_Sample.Entry_ID 19126
_Sample.ID 4
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_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 GlyR 'natural abundance' . . 1 $GlyR . . 480 . . uM . . . . 19126 4
2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19126 4
3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19126 4
stop_
save_
save_sample_5
_Sample.Sf_category sample
_Sample.Sf_framecode sample_5
_Sample.Entry_ID 19126
_Sample.ID 5
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_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 GlyR 'natural abundance' . . 1 $GlyR . . 480 . . uM . . . . 19126 5
2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19126 5
3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19126 5
stop_
save_
save_sample_6
_Sample.Sf_category sample
_Sample.Sf_framecode sample_6
_Sample.Entry_ID 19126
_Sample.ID 6
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_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 GlyR 'natural abundance' . . 1 $GlyR . . 480 . . uM . . . . 19126 6
2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19126 6
3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19126 6
stop_
save_
save_sample_7
_Sample.Sf_category sample
_Sample.Sf_framecode sample_7
_Sample.Entry_ID 19126
_Sample.ID 7
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_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 GlyR 'natural abundance' . . 1 $GlyR . . 480 . . uM . . . . 19126 7
2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19126 7
3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19126 7
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 19126
_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 5.8 . pH 19126 1
pressure 1 . atm 19126 1
temperature 313 . K 19126 1
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 19126
_Software.ID 1
_Software.Name CYANA
_Software.Version 3.0
_Software.Details .
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 19126
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 19126
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 700
save_
save_spectrometer_3
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_3
_NMR_spectrometer.Entry_ID 19126
_NMR_spectrometer.ID 3
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_spectrometer_4
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_4
_NMR_spectrometer.Entry_ID 19126
_NMR_spectrometer.ID 4
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 900
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 19126
_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 Bruker Avance . 600 . . . 19126 1
2 spectrometer_2 Bruker Avance . 700 . . . 19126 1
3 spectrometer_3 Bruker Avance . 800 . . . 19126 1
4 spectrometer_4 Bruker Avance . 900 . . . 19126 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 19126
_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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19126 1
2 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19126 1
3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19126 1
4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19126 1
5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19126 1
6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19126 1
7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19126 1
8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19126 1
9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19126 1
10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19126 1
11 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19126 1
12 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19126 1
13 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19126 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 19126
_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 internal indirect 0.25144953 . . . . . . . . . 19126 1
H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 19126 1
N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 19126 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 19126
_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 '3D 1H-15N NOESY' . . . 19126 1
2 '3D 1H-13C NOESY' . . . 19126 1
3 '3D HNCO' . . . 19126 1
4 '3D HNCA' . . . 19126 1
5 '3D HN(CO)CA' . . . 19126 1
6 '3D CBCA(CO)NH' . . . 19126 1
7 '3D HNCACB' . . . 19126 1
8 '3D HCCH-TOCSY' . . . 19126 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 MET H H 1 8.019 0.017 . 1 . . . A 215 MET H1 . 19126 1
2 . 1 1 1 1 MET CA C 13 66.860 0.000 . 1 . . . A 215 MET CA . 19126 1
3 . 1 1 1 1 MET CB C 13 41.395 0.000 . 1 . . . A 215 MET CB . 19126 1
4 . 1 1 1 1 MET N N 15 121.863 0.317 . 1 . . . A 215 MET N . 19126 1
5 . 1 1 2 2 LEU H H 1 8.374 0.008 . 1 . . . A 216 LEU H . 19126 1
6 . 1 1 2 2 LEU HA H 1 3.923 0.000 . 1 . . . A 216 LEU HA . 19126 1
7 . 1 1 2 2 LEU HB2 H 1 1.883 0.000 . 2 . . . A 216 LEU HB2 . 19126 1
8 . 1 1 2 2 LEU HB3 H 1 1.883 0.000 . 2 . . . A 216 LEU HB3 . 19126 1
9 . 1 1 2 2 LEU HD11 H 1 0.898 0.000 . 2 . . . A 216 LEU HD11 . 19126 1
10 . 1 1 2 2 LEU HD12 H 1 0.898 0.000 . 2 . . . A 216 LEU HD12 . 19126 1
11 . 1 1 2 2 LEU HD13 H 1 0.898 0.000 . 2 . . . A 216 LEU HD13 . 19126 1
12 . 1 1 2 2 LEU CA C 13 55.258 0.000 . 1 . . . A 216 LEU CA . 19126 1
13 . 1 1 2 2 LEU CB C 13 42.751 0.000 . 1 . . . A 216 LEU CB . 19126 1
14 . 1 1 2 2 LEU N N 15 120.243 0.131 . 1 . . . A 216 LEU N . 19126 1
15 . 1 1 3 3 GLU H H 1 8.803 0.005 . 1 . . . A 217 GLU H . 19126 1
16 . 1 1 3 3 GLU C C 13 173.165 0.000 . 1 . . . A 217 GLU C . 19126 1
17 . 1 1 3 3 GLU CA C 13 57.383 0.000 . 1 . . . A 217 GLU CA . 19126 1
18 . 1 1 3 3 GLU CB C 13 29.126 0.000 . 1 . . . A 217 GLU CB . 19126 1
19 . 1 1 3 3 GLU CG C 13 36.923 0.000 . 1 . . . A 217 GLU CG . 19126 1
20 . 1 1 3 3 GLU N N 15 123.161 0.107 . 1 . . . A 217 GLU N . 19126 1
21 . 1 1 4 4 ARG H H 1 8.145 0.005 . 1 . . . A 218 ARG H . 19126 1
22 . 1 1 4 4 ARG HA H 1 4.291 0.000 . 1 . . . A 218 ARG HA . 19126 1
23 . 1 1 4 4 ARG HD2 H 1 3.127 0.000 . 2 . . . A 218 ARG HD2 . 19126 1
24 . 1 1 4 4 ARG HD3 H 1 3.127 0.000 . 2 . . . A 218 ARG HD3 . 19126 1
25 . 1 1 4 4 ARG CA C 13 55.929 0.000 . 1 . . . A 218 ARG CA . 19126 1
26 . 1 1 4 4 ARG CB C 13 32.620 0.000 . 1 . . . A 218 ARG CB . 19126 1
27 . 1 1 4 4 ARG N N 15 118.419 0.027 . 1 . . . A 218 ARG N . 19126 1
28 . 1 1 5 5 GLN H H 1 7.933 0.007 . 1 . . . A 219 GLN H . 19126 1
29 . 1 1 5 5 GLN HA H 1 4.151 0.000 . 1 . . . A 219 GLN HA . 19126 1
30 . 1 1 5 5 GLN HB2 H 1 2.170 0.000 . 2 . . . A 219 GLN HB2 . 19126 1
31 . 1 1 5 5 GLN HB3 H 1 2.170 0.000 . 2 . . . A 219 GLN HB3 . 19126 1
32 . 1 1 5 5 GLN CA C 13 56.285 0.000 . 1 . . . A 219 GLN CA . 19126 1
33 . 1 1 5 5 GLN CB C 13 28.855 0.000 . 1 . . . A 219 GLN CB . 19126 1
34 . 1 1 5 5 GLN N N 15 118.780 0.127 . 1 . . . A 219 GLN N . 19126 1
35 . 1 1 6 6 LEU H H 1 7.679 0.010 . 1 . . . A 220 LEU H . 19126 1
36 . 1 1 6 6 LEU HA H 1 4.197 0.000 . 1 . . . A 220 LEU HA . 19126 1
37 . 1 1 6 6 LEU HB2 H 1 1.797 0.000 . 2 . . . A 220 LEU HB2 . 19126 1
38 . 1 1 6 6 LEU HB3 H 1 1.797 0.000 . 2 . . . A 220 LEU HB3 . 19126 1
39 . 1 1 6 6 LEU HD11 H 1 0.960 0.000 . 2 . . . A 220 LEU HD11 . 19126 1
40 . 1 1 6 6 LEU HD12 H 1 0.960 0.000 . 2 . . . A 220 LEU HD12 . 19126 1
41 . 1 1 6 6 LEU HD13 H 1 0.960 0.000 . 2 . . . A 220 LEU HD13 . 19126 1
42 . 1 1 6 6 LEU HD21 H 1 0.960 0.000 . 2 . . . A 220 LEU HD21 . 19126 1
43 . 1 1 6 6 LEU HD22 H 1 0.960 0.000 . 2 . . . A 220 LEU HD22 . 19126 1
44 . 1 1 6 6 LEU HD23 H 1 0.960 0.000 . 2 . . . A 220 LEU HD23 . 19126 1
45 . 1 1 6 6 LEU C C 13 179.480 0.000 . 1 . . . A 220 LEU C . 19126 1
46 . 1 1 6 6 LEU CA C 13 57.022 0.174 . 1 . . . A 220 LEU CA . 19126 1
47 . 1 1 6 6 LEU CB C 13 42.191 0.000 . 1 . . . A 220 LEU CB . 19126 1
48 . 1 1 6 6 LEU N N 15 117.836 0.044 . 1 . . . A 220 LEU N . 19126 1
49 . 1 1 7 7 GLY H H 1 8.238 0.007 . 1 . . . A 221 GLY H . 19126 1
50 . 1 1 7 7 GLY HA2 H 1 3.881 0.000 . 2 . . . A 221 GLY HA2 . 19126 1
51 . 1 1 7 7 GLY HA3 H 1 3.881 0.000 . 2 . . . A 221 GLY HA3 . 19126 1
52 . 1 1 7 7 GLY CA C 13 45.891 0.148 . 1 . . . A 221 GLY CA . 19126 1
53 . 1 1 7 7 GLY N N 15 109.373 0.044 . 1 . . . A 221 GLY N . 19126 1
54 . 1 1 8 8 TYR H H 1 8.044 0.017 . 1 . . . A 222 TYR H . 19126 1
55 . 1 1 8 8 TYR HA H 1 4.620 0.015 . 1 . . . A 222 TYR HA . 19126 1
56 . 1 1 8 8 TYR HB2 H 1 2.980 0.008 . 2 . . . A 222 TYR HB2 . 19126 1
57 . 1 1 8 8 TYR HB3 H 1 2.980 0.008 . 2 . . . A 222 TYR HB3 . 19126 1
58 . 1 1 8 8 TYR CA C 13 56.143 0.000 . 1 . . . A 222 TYR CA . 19126 1
59 . 1 1 8 8 TYR CB C 13 40.049 0.294 . 1 . . . A 222 TYR CB . 19126 1
60 . 1 1 8 8 TYR N N 15 120.085 0.034 . 1 . . . A 222 TYR N . 19126 1
61 . 1 1 9 9 TYR H H 1 8.289 0.008 . 1 . . . A 223 TYR H . 19126 1
62 . 1 1 9 9 TYR HA H 1 4.546 0.023 . 1 . . . A 223 TYR HA . 19126 1
63 . 1 1 9 9 TYR HD1 H 1 7.205 0.000 . 3 . . . A 223 TYR HD1 . 19126 1
64 . 1 1 9 9 TYR HD2 H 1 7.205 0.000 . 3 . . . A 223 TYR HD2 . 19126 1
65 . 1 1 9 9 TYR CA C 13 56.038 0.000 . 1 . . . A 223 TYR CA . 19126 1
66 . 1 1 9 9 TYR CB C 13 38.632 0.000 . 1 . . . A 223 TYR CB . 19126 1
67 . 1 1 9 9 TYR N N 15 119.228 0.142 . 1 . . . A 223 TYR N . 19126 1
68 . 1 1 10 10 LEU H H 1 7.549 0.006 . 1 . . . A 224 LEU H . 19126 1
69 . 1 1 10 10 LEU HA H 1 4.149 0.000 . 1 . . . A 224 LEU HA . 19126 1
70 . 1 1 10 10 LEU HB2 H 1 1.526 0.012 . 2 . . . A 224 LEU HB2 . 19126 1
71 . 1 1 10 10 LEU HB3 H 1 1.526 0.012 . 2 . . . A 224 LEU HB3 . 19126 1
72 . 1 1 10 10 LEU HD11 H 1 0.951 0.000 . 2 . . . A 224 LEU HD11 . 19126 1
73 . 1 1 10 10 LEU HD12 H 1 0.951 0.000 . 2 . . . A 224 LEU HD12 . 19126 1
74 . 1 1 10 10 LEU HD13 H 1 0.951 0.000 . 2 . . . A 224 LEU HD13 . 19126 1
75 . 1 1 10 10 LEU CA C 13 56.911 0.070 . 1 . . . A 224 LEU CA . 19126 1
76 . 1 1 10 10 LEU N N 15 117.438 0.056 . 1 . . . A 224 LEU N . 19126 1
77 . 1 1 11 11 ILE H H 1 8.042 0.000 . 1 . . . A 225 ILE H . 19126 1
78 . 1 1 11 11 ILE HA H 1 4.285 0.000 . 1 . . . A 225 ILE HA . 19126 1
79 . 1 1 11 11 ILE HB H 1 1.867 0.000 . 1 . . . A 225 ILE HB . 19126 1
80 . 1 1 11 11 ILE CA C 13 62.342 0.000 . 1 . . . A 225 ILE CA . 19126 1
81 . 1 1 11 11 ILE CB C 13 39.470 0.000 . 1 . . . A 225 ILE CB . 19126 1
82 . 1 1 11 11 ILE N N 15 118.348 0.000 . 1 . . . A 225 ILE N . 19126 1
83 . 1 1 12 12 GLN H H 1 8.251 0.010 . 1 . . . A 226 GLN H . 19126 1
84 . 1 1 12 12 GLN HA H 1 4.250 0.000 . 1 . . . A 226 GLN HA . 19126 1
85 . 1 1 12 12 GLN HE21 H 1 7.490 0.002 . 2 . . . A 226 GLN HE21 . 19126 1
86 . 1 1 12 12 GLN HE22 H 1 7.446 0.000 . 2 . . . A 226 GLN HE22 . 19126 1
87 . 1 1 12 12 GLN CA C 13 55.817 0.000 . 1 . . . A 226 GLN CA . 19126 1
88 . 1 1 12 12 GLN CB C 13 29.373 0.000 . 1 . . . A 226 GLN CB . 19126 1
89 . 1 1 12 12 GLN CG C 13 33.474 0.000 . 1 . . . A 226 GLN CG . 19126 1
90 . 1 1 12 12 GLN N N 15 123.870 0.131 . 1 . . . A 226 GLN N . 19126 1
91 . 1 1 12 12 GLN NE2 N 15 111.704 0.204 . 1 . . . A 226 GLN NE2 . 19126 1
92 . 1 1 13 13 LEU H H 1 7.984 0.027 . 1 . . . A 227 LEU H . 19126 1
93 . 1 1 13 13 LEU HB2 H 1 1.652 0.006 . 2 . . . A 227 LEU HB2 . 19126 1
94 . 1 1 13 13 LEU HB3 H 1 1.652 0.006 . 2 . . . A 227 LEU HB3 . 19126 1
95 . 1 1 13 13 LEU CA C 13 58.371 0.005 . 1 . . . A 227 LEU CA . 19126 1
96 . 1 1 13 13 LEU CB C 13 41.960 0.000 . 1 . . . A 227 LEU CB . 19126 1
97 . 1 1 13 13 LEU N N 15 121.283 0.067 . 1 . . . A 227 LEU N . 19126 1
98 . 1 1 14 14 TYR H H 1 8.030 0.000 . 1 . . . A 228 TYR H . 19126 1
99 . 1 1 14 14 TYR HA H 1 4.084 0.000 . 1 . . . A 228 TYR HA . 19126 1
100 . 1 1 14 14 TYR HB2 H 1 3.269 0.007 . 2 . . . A 228 TYR HB2 . 19126 1
101 . 1 1 14 14 TYR HB3 H 1 3.269 0.007 . 2 . . . A 228 TYR HB3 . 19126 1
102 . 1 1 14 14 TYR CA C 13 60.877 0.125 . 1 . . . A 228 TYR CA . 19126 1
103 . 1 1 14 14 TYR CB C 13 38.764 0.183 . 1 . . . A 228 TYR CB . 19126 1
104 . 1 1 14 14 TYR N N 15 116.139 0.000 . 1 . . . A 228 TYR N . 19126 1
105 . 1 1 15 15 ILE H H 1 8.001 0.001 . 1 . . . A 229 ILE H . 19126 1
106 . 1 1 15 15 ILE HA H 1 3.863 0.000 . 1 . . . A 229 ILE HA . 19126 1
107 . 1 1 15 15 ILE HB H 1 1.728 0.000 . 1 . . . A 229 ILE HB . 19126 1
108 . 1 1 15 15 ILE HG12 H 1 1.041 0.000 . 2 . . . A 229 ILE HG12 . 19126 1
109 . 1 1 15 15 ILE HG13 H 1 1.041 0.000 . 2 . . . A 229 ILE HG13 . 19126 1
110 . 1 1 15 15 ILE HD11 H 1 0.851 0.000 . 1 . . . A 229 ILE HD11 . 19126 1
111 . 1 1 15 15 ILE HD12 H 1 0.851 0.000 . 1 . . . A 229 ILE HD12 . 19126 1
112 . 1 1 15 15 ILE HD13 H 1 0.851 0.000 . 1 . . . A 229 ILE HD13 . 19126 1
113 . 1 1 15 15 ILE CD1 C 13 13.590 0.000 . 1 . . . A 229 ILE CD1 . 19126 1
114 . 1 1 15 15 ILE N N 15 118.591 0.027 . 1 . . . A 229 ILE N . 19126 1
115 . 1 1 16 16 PRO CA C 13 63.656 0.000 . 1 . . . A 230 PRO CA . 19126 1
116 . 1 1 16 16 PRO CB C 13 35.73 0.000 . 1 . . . A 230 PRO CB . 19126 1
117 . 1 1 16 16 PRO CD C 13 51.627 0.053 . 1 . . . A 230 PRO CD . 19126 1
118 . 1 1 17 17 SER H H 1 8.375 0.019 . 1 . . . A 231 SER H . 19126 1
119 . 1 1 17 17 SER HA H 1 4.510 0.000 . 1 . . . A 231 SER HA . 19126 1
120 . 1 1 17 17 SER HB2 H 1 3.968 0.000 . 2 . . . A 231 SER HB2 . 19126 1
121 . 1 1 17 17 SER HB3 H 1 3.968 0.000 . 2 . . . A 231 SER HB3 . 19126 1
122 . 1 1 17 17 SER C C 13 174.979 0.000 . 1 . . . A 231 SER C . 19126 1
123 . 1 1 17 17 SER CA C 13 58.951 0.000 . 1 . . . A 231 SER CA . 19126 1
124 . 1 1 17 17 SER CB C 13 63.832 0.002 . 1 . . . A 231 SER CB . 19126 1
125 . 1 1 17 17 SER N N 15 115.673 0.065 . 1 . . . A 231 SER N . 19126 1
126 . 1 1 18 18 LEU H H 1 8.006 0.007 . 1 . . . A 232 LEU H . 19126 1
127 . 1 1 18 18 LEU HA H 1 4.341 0.000 . 1 . . . A 232 LEU HA . 19126 1
128 . 1 1 18 18 LEU HB2 H 1 1.798 0.000 . 2 . . . A 232 LEU HB2 . 19126 1
129 . 1 1 18 18 LEU HB3 H 1 1.798 0.000 . 2 . . . A 232 LEU HB3 . 19126 1
130 . 1 1 18 18 LEU HD11 H 1 0.937 0.000 . 2 . . . A 232 LEU HD11 . 19126 1
131 . 1 1 18 18 LEU HD12 H 1 0.937 0.000 . 2 . . . A 232 LEU HD12 . 19126 1
132 . 1 1 18 18 LEU HD13 H 1 0.937 0.000 . 2 . . . A 232 LEU HD13 . 19126 1
133 . 1 1 18 18 LEU HD21 H 1 0.937 0.000 . 2 . . . A 232 LEU HD21 . 19126 1
134 . 1 1 18 18 LEU HD22 H 1 0.937 0.000 . 2 . . . A 232 LEU HD22 . 19126 1
135 . 1 1 18 18 LEU HD23 H 1 0.937 0.000 . 2 . . . A 232 LEU HD23 . 19126 1
136 . 1 1 18 18 LEU CA C 13 56.563 0.016 . 1 . . . A 232 LEU CA . 19126 1
137 . 1 1 18 18 LEU N N 15 120.503 0.116 . 1 . . . A 232 LEU N . 19126 1
138 . 1 1 19 19 LEU H H 1 7.952 0.004 . 1 . . . A 233 LEU H . 19126 1
139 . 1 1 19 19 LEU HA H 1 4.252 0.009 . 1 . . . A 233 LEU HA . 19126 1
140 . 1 1 19 19 LEU HB2 H 1 1.800 0.000 . 2 . . . A 233 LEU HB2 . 19126 1
141 . 1 1 19 19 LEU HB3 H 1 1.800 0.000 . 2 . . . A 233 LEU HB3 . 19126 1
142 . 1 1 19 19 LEU N N 15 122.005 0.007 . 1 . . . A 233 LEU N . 19126 1
143 . 1 1 20 20 ILE H H 1 7.754 0.007 . 1 . . . A 234 ILE H . 19126 1
144 . 1 1 20 20 ILE CA C 13 63.411 0.000 . 1 . . . A 234 ILE CA . 19126 1
145 . 1 1 20 20 ILE CB C 13 39.027 0.000 . 1 . . . A 234 ILE CB . 19126 1
146 . 1 1 20 20 ILE N N 15 120.294 0.030 . 1 . . . A 234 ILE N . 19126 1
147 . 1 1 21 21 VAL H H 1 7.683 0.007 . 1 . . . A 235 VAL H . 19126 1
148 . 1 1 21 21 VAL HA H 1 3.963 0.000 . 1 . . . A 235 VAL HA . 19126 1
149 . 1 1 21 21 VAL HB H 1 2.185 0.000 . 1 . . . A 235 VAL HB . 19126 1
150 . 1 1 21 21 VAL HG11 H 1 1.008 0.000 . 2 . . . A 235 VAL HG11 . 19126 1
151 . 1 1 21 21 VAL HG12 H 1 1.008 0.000 . 2 . . . A 235 VAL HG12 . 19126 1
152 . 1 1 21 21 VAL HG13 H 1 1.008 0.000 . 2 . . . A 235 VAL HG13 . 19126 1
153 . 1 1 21 21 VAL HG21 H 1 1.008 0.000 . 2 . . . A 235 VAL HG21 . 19126 1
154 . 1 1 21 21 VAL HG22 H 1 1.008 0.000 . 2 . . . A 235 VAL HG22 . 19126 1
155 . 1 1 21 21 VAL HG23 H 1 1.008 0.000 . 2 . . . A 235 VAL HG23 . 19126 1
156 . 1 1 21 21 VAL CA C 13 63.399 0.000 . 1 . . . A 235 VAL CA . 19126 1
157 . 1 1 21 21 VAL CB C 13 32.095 0.000 . 1 . . . A 235 VAL CB . 19126 1
158 . 1 1 21 21 VAL N N 15 118.367 0.096 . 1 . . . A 235 VAL N . 19126 1
159 . 1 1 22 22 ILE H H 1 7.814 0.003 . 1 . . . A 236 ILE H . 19126 1
160 . 1 1 22 22 ILE HA H 1 4.094 0.000 . 1 . . . A 236 ILE HA . 19126 1
161 . 1 1 22 22 ILE HB H 1 2.007 0.000 . 1 . . . A 236 ILE HB . 19126 1
162 . 1 1 22 22 ILE HG12 H 1 1.578 0.000 . 1 . . . A 236 ILE HG12 . 19126 1
163 . 1 1 22 22 ILE HG13 H 1 1.578 0.000 . 1 . . . A 236 ILE HG13 . 19126 1
164 . 1 1 22 22 ILE HG21 H 1 0.901 0.000 . 1 . . . A 236 ILE HG21 . 19126 1
165 . 1 1 22 22 ILE HG22 H 1 0.901 0.000 . 1 . . . A 236 ILE HG22 . 19126 1
166 . 1 1 22 22 ILE HG23 H 1 0.901 0.000 . 1 . . . A 236 ILE HG23 . 19126 1
167 . 1 1 22 22 ILE HD11 H 1 0.893 0.000 . 1 . . . A 236 ILE HD11 . 19126 1
168 . 1 1 22 22 ILE HD12 H 1 0.893 0.000 . 1 . . . A 236 ILE HD12 . 19126 1
169 . 1 1 22 22 ILE HD13 H 1 0.893 0.000 . 1 . . . A 236 ILE HD13 . 19126 1
170 . 1 1 22 22 ILE C C 13 177.696 0.000 . 1 . . . A 236 ILE C . 19126 1
171 . 1 1 22 22 ILE CA C 13 62.908 0.000 . 1 . . . A 236 ILE CA . 19126 1
172 . 1 1 22 22 ILE CB C 13 38.860 0.000 . 1 . . . A 236 ILE CB . 19126 1
173 . 1 1 22 22 ILE N N 15 117.354 0.088 . 1 . . . A 236 ILE N . 19126 1
174 . 1 1 23 23 LEU H H 1 8.360 0.005 . 1 . . . A 237 LEU H . 19126 1
175 . 1 1 23 23 LEU HA H 1 4.251 0.014 . 1 . . . A 237 LEU HA . 19126 1
176 . 1 1 23 23 LEU HB2 H 1 1.891 0.000 . 2 . . . A 237 LEU HB2 . 19126 1
177 . 1 1 23 23 LEU HB3 H 1 1.891 0.000 . 2 . . . A 237 LEU HB3 . 19126 1
178 . 1 1 23 23 LEU HD11 H 1 0.891 0.000 . 2 . . . A 237 LEU HD11 . 19126 1
179 . 1 1 23 23 LEU HD12 H 1 0.891 0.000 . 2 . . . A 237 LEU HD12 . 19126 1
180 . 1 1 23 23 LEU HD13 H 1 0.891 0.000 . 2 . . . A 237 LEU HD13 . 19126 1
181 . 1 1 23 23 LEU HD21 H 1 0.891 0.000 . 2 . . . A 237 LEU HD21 . 19126 1
182 . 1 1 23 23 LEU HD22 H 1 0.891 0.000 . 2 . . . A 237 LEU HD22 . 19126 1
183 . 1 1 23 23 LEU HD23 H 1 0.891 0.000 . 2 . . . A 237 LEU HD23 . 19126 1
184 . 1 1 23 23 LEU CA C 13 57.993 0.000 . 1 . . . A 237 LEU CA . 19126 1
185 . 1 1 23 23 LEU CB C 13 39.423 0.000 . 1 . . . A 237 LEU CB . 19126 1
186 . 1 1 23 23 LEU N N 15 120.129 0.070 . 1 . . . A 237 LEU N . 19126 1
187 . 1 1 24 24 SER H H 1 8.142 0.002 . 1 . . . A 238 SER H . 19126 1
188 . 1 1 24 24 SER HA H 1 4.279 0.000 . 1 . . . A 238 SER HA . 19126 1
189 . 1 1 24 24 SER HB2 H 1 4.055 0.000 . 2 . . . A 238 SER HB2 . 19126 1
190 . 1 1 24 24 SER HB3 H 1 4.055 0.000 . 2 . . . A 238 SER HB3 . 19126 1
191 . 1 1 24 24 SER CA C 13 58.655 0.000 . 1 . . . A 238 SER CA . 19126 1
192 . 1 1 24 24 SER CB C 13 64.044 0.000 . 1 . . . A 238 SER CB . 19126 1
193 . 1 1 24 24 SER N N 15 115.737 0.040 . 1 . . . A 238 SER N . 19126 1
194 . 1 1 25 25 TRP H H 1 8.465 0.000 . 1 . . . A 239 TRP H . 19126 1
195 . 1 1 25 25 TRP HA H 1 4.167 0.000 . 1 . . . A 239 TRP HA . 19126 1
196 . 1 1 25 25 TRP HE3 H 1 7.342 0.000 . 1 . . . A 239 TRP HE3 . 19126 1
197 . 1 1 25 25 TRP CA C 13 57.868 0.000 . 1 . . . A 239 TRP CA . 19126 1
198 . 1 1 25 25 TRP CB C 13 28.689 0.000 . 1 . . . A 239 TRP CB . 19126 1
199 . 1 1 25 25 TRP N N 15 118.826 0.000 . 1 . . . A 239 TRP N . 19126 1
200 . 1 1 26 26 ILE H H 1 8.257 0.008 . 1 . . . A 240 ILE H . 19126 1
201 . 1 1 26 26 ILE HB H 1 1.987 0.000 . 1 . . . A 240 ILE HB . 19126 1
202 . 1 1 26 26 ILE HG21 H 1 0.858 0.000 . 1 . . . A 240 ILE HG21 . 19126 1
203 . 1 1 26 26 ILE HG22 H 1 0.858 0.000 . 1 . . . A 240 ILE HG22 . 19126 1
204 . 1 1 26 26 ILE HG23 H 1 0.858 0.000 . 1 . . . A 240 ILE HG23 . 19126 1
205 . 1 1 26 26 ILE HD11 H 1 0.948 0.000 . 1 . . . A 240 ILE HD11 . 19126 1
206 . 1 1 26 26 ILE HD12 H 1 0.948 0.000 . 1 . . . A 240 ILE HD12 . 19126 1
207 . 1 1 26 26 ILE HD13 H 1 0.948 0.000 . 1 . . . A 240 ILE HD13 . 19126 1
208 . 1 1 26 26 ILE CA C 13 62.055 0.000 . 1 . . . A 240 ILE CA . 19126 1
209 . 1 1 26 26 ILE N N 15 118.365 0.092 . 1 . . . A 240 ILE N . 19126 1
210 . 1 1 27 27 SER H H 1 8.153 0.000 . 1 . . . A 241 SER H . 19126 1
211 . 1 1 27 27 SER HA H 1 4.054 0.000 . 1 . . . A 241 SER HA . 19126 1
212 . 1 1 27 27 SER HB2 H 1 3.900 0.000 . 2 . . . A 241 SER HB2 . 19126 1
213 . 1 1 27 27 SER HB3 H 1 3.900 0.000 . 2 . . . A 241 SER HB3 . 19126 1
214 . 1 1 27 27 SER CA C 13 58.995 0.023 . 1 . . . A 241 SER CA . 19126 1
215 . 1 1 27 27 SER CB C 13 64.081 0.000 . 1 . . . A 241 SER CB . 19126 1
216 . 1 1 27 27 SER N N 15 116.826 0.000 . 1 . . . A 241 SER N . 19126 1
217 . 1 1 28 28 PHE H H 1 8.232 0.000 . 1 . . . A 242 PHE H . 19126 1
218 . 1 1 28 28 PHE HA H 1 4.401 0.000 . 1 . . . A 242 PHE HA . 19126 1
219 . 1 1 28 28 PHE HB2 H 1 2.832 0.000 . 2 . . . A 242 PHE HB2 . 19126 1
220 . 1 1 28 28 PHE HB3 H 1 2.832 0.000 . 2 . . . A 242 PHE HB3 . 19126 1
221 . 1 1 28 28 PHE CA C 13 56.617 0.000 . 1 . . . A 242 PHE CA . 19126 1
222 . 1 1 28 28 PHE CB C 13 39.561 0.079 . 1 . . . A 242 PHE CB . 19126 1
223 . 1 1 28 28 PHE N N 15 120.150 0.074 . 1 . . . A 242 PHE N . 19126 1
224 . 1 1 29 29 TRP H H 1 8.047 0.002 . 1 . . . A 243 TRP H . 19126 1
225 . 1 1 29 29 TRP HA H 1 4.216 0.000 . 1 . . . A 243 TRP HA . 19126 1
226 . 1 1 29 29 TRP HB2 H 1 3.226 0.000 . 2 . . . A 243 TRP HB2 . 19126 1
227 . 1 1 29 29 TRP HB3 H 1 3.226 0.000 . 2 . . . A 243 TRP HB3 . 19126 1
228 . 1 1 29 29 TRP HD1 H 1 7.100 0.000 . 1 . . . A 243 TRP HD1 . 19126 1
229 . 1 1 29 29 TRP CA C 13 58.283 0.000 . 1 . . . A 243 TRP CA . 19126 1
230 . 1 1 29 29 TRP CB C 13 28.817 0.000 . 1 . . . A 243 TRP CB . 19126 1
231 . 1 1 29 29 TRP N N 15 118.748 0.052 . 1 . . . A 243 TRP N . 19126 1
232 . 1 1 30 30 ILE H H 1 8.237 0.005 . 1 . . . A 244 ILE H . 19126 1
233 . 1 1 30 30 ILE HA H 1 4.660 0.030 . 1 . . . A 244 ILE HA . 19126 1
234 . 1 1 30 30 ILE HB H 1 1.840 0.000 . 1 . . . A 244 ILE HB . 19126 1
235 . 1 1 30 30 ILE HG21 H 1 1.212 0.032 . 1 . . . A 244 ILE HG21 . 19126 1
236 . 1 1 30 30 ILE HG22 H 1 1.212 0.032 . 1 . . . A 244 ILE HG22 . 19126 1
237 . 1 1 30 30 ILE HG23 H 1 1.212 0.032 . 1 . . . A 244 ILE HG23 . 19126 1
238 . 1 1 30 30 ILE CA C 13 60.804 0.012 . 1 . . . A 244 ILE CA . 19126 1
239 . 1 1 30 30 ILE CB C 13 38.530 0.000 . 1 . . . A 244 ILE CB . 19126 1
240 . 1 1 30 30 ILE CG2 C 13 17.250 0.000 . 1 . . . A 244 ILE CG2 . 19126 1
241 . 1 1 30 30 ILE N N 15 120.549 0.022 . 1 . . . A 244 ILE N . 19126 1
242 . 1 1 31 31 ASN H H 1 8.143 0.003 . 1 . . . A 245 ASN H . 19126 1
243 . 1 1 31 31 ASN HA H 1 4.633 0.000 . 1 . . . A 245 ASN HA . 19126 1
244 . 1 1 31 31 ASN HB2 H 1 2.883 0.000 . 2 . . . A 245 ASN HB2 . 19126 1
245 . 1 1 31 31 ASN HB3 H 1 2.883 0.000 . 2 . . . A 245 ASN HB3 . 19126 1
246 . 1 1 31 31 ASN HD21 H 1 7.596 0.000 . 2 . . . A 245 ASN HD21 . 19126 1
247 . 1 1 31 31 ASN HD22 H 1 7.596 0.000 . 2 . . . A 245 ASN HD22 . 19126 1
248 . 1 1 31 31 ASN CA C 13 53.779 0.198 . 1 . . . A 245 ASN CA . 19126 1
249 . 1 1 31 31 ASN CB C 13 38.899 0.000 . 1 . . . A 245 ASN CB . 19126 1
250 . 1 1 31 31 ASN N N 15 118.750 0.029 . 1 . . . A 245 ASN N . 19126 1
251 . 1 1 31 31 ASN ND2 N 15 112.293 0.000 . 1 . . . A 245 ASN ND2 . 19126 1
252 . 1 1 32 32 LEU H H 1 8.134 0.000 . 1 . . . A 246 LEU H . 19126 1
253 . 1 1 32 32 LEU HA H 1 4.092 0.000 . 1 . . . A 246 LEU HA . 19126 1
254 . 1 1 32 32 LEU HB2 H 1 1.708 0.000 . 2 . . . A 246 LEU HB2 . 19126 1
255 . 1 1 32 32 LEU HB3 H 1 1.708 0.000 . 2 . . . A 246 LEU HB3 . 19126 1
256 . 1 1 32 32 LEU HD11 H 1 0.915 0.000 . 2 . . . A 246 LEU HD11 . 19126 1
257 . 1 1 32 32 LEU HD12 H 1 0.915 0.000 . 2 . . . A 246 LEU HD12 . 19126 1
258 . 1 1 32 32 LEU HD13 H 1 0.915 0.000 . 2 . . . A 246 LEU HD13 . 19126 1
259 . 1 1 32 32 LEU HD21 H 1 0.915 0.000 . 2 . . . A 246 LEU HD21 . 19126 1
260 . 1 1 32 32 LEU HD22 H 1 0.915 0.000 . 2 . . . A 246 LEU HD22 . 19126 1
261 . 1 1 32 32 LEU HD23 H 1 0.915 0.000 . 2 . . . A 246 LEU HD23 . 19126 1
262 . 1 1 32 32 LEU CA C 13 55.999 0.000 . 1 . . . A 246 LEU CA . 19126 1
263 . 1 1 32 32 LEU CB C 13 43.200 0.000 . 1 . . . A 246 LEU CB . 19126 1
264 . 1 1 32 32 LEU N N 15 119.950 0.000 . 1 . . . A 246 LEU N . 19126 1
265 . 1 1 33 33 ASP H H 1 8.102 0.006 . 1 . . . A 247 ASP H . 19126 1
266 . 1 1 33 33 ASP CA C 13 55.299 0.000 . 1 . . . A 247 ASP CA . 19126 1
267 . 1 1 33 33 ASP CB C 13 38.271 0.000 . 1 . . . A 247 ASP CB . 19126 1
268 . 1 1 33 33 ASP N N 15 117.584 0.167 . 1 . . . A 247 ASP N . 19126 1
269 . 1 1 34 34 ALA H H 1 8.058 0.008 . 1 . . . A 248 ALA H . 19126 1
270 . 1 1 34 34 ALA HA H 1 4.063 0.087 . 1 . . . A 248 ALA HA . 19126 1
271 . 1 1 34 34 ALA HB1 H 1 1.490 0.002 . 1 . . . A 248 ALA HB1 . 19126 1
272 . 1 1 34 34 ALA HB2 H 1 1.490 0.002 . 1 . . . A 248 ALA HB2 . 19126 1
273 . 1 1 34 34 ALA HB3 H 1 1.490 0.002 . 1 . . . A 248 ALA HB3 . 19126 1
274 . 1 1 34 34 ALA CA C 13 54.203 0.000 . 1 . . . A 248 ALA CA . 19126 1
275 . 1 1 34 34 ALA CB C 13 18.730 0.039 . 1 . . . A 248 ALA CB . 19126 1
276 . 1 1 34 34 ALA N N 15 121.083 0.179 . 1 . . . A 248 ALA N . 19126 1
277 . 1 1 35 35 ALA H H 1 7.819 0.008 . 1 . . . A 249 ALA H . 19126 1
278 . 1 1 35 35 ALA HA H 1 4.219 0.000 . 1 . . . A 249 ALA HA . 19126 1
279 . 1 1 35 35 ALA CA C 13 53.359 0.000 . 1 . . . A 249 ALA CA . 19126 1
280 . 1 1 35 35 ALA CB C 13 19.179 0.000 . 1 . . . A 249 ALA CB . 19126 1
281 . 1 1 35 35 ALA N N 15 120.786 0.063 . 1 . . . A 249 ALA N . 19126 1
282 . 1 1 36 36 PRO HD2 H 1 3.655 0.000 . 2 . . . A 250 PRO HD2 . 19126 1
283 . 1 1 36 36 PRO HD3 H 1 3.655 0.000 . 2 . . . A 250 PRO HD3 . 19126 1
284 . 1 1 36 36 PRO CA C 13 63.103 0.000 . 1 . . . A 250 PRO CA . 19126 1
285 . 1 1 36 36 PRO CD C 13 48.448 0.000 . 1 . . . A 250 PRO CD . 19126 1
286 . 1 1 37 37 ALA H H 1 8.053 0.013 . 1 . . . A 251 ALA H . 19126 1
287 . 1 1 37 37 ALA HA H 1 4.194 0.009 . 1 . . . A 251 ALA HA . 19126 1
288 . 1 1 37 37 ALA HB1 H 1 1.491 0.007 . 1 . . . A 251 ALA HB1 . 19126 1
289 . 1 1 37 37 ALA HB2 H 1 1.491 0.007 . 1 . . . A 251 ALA HB2 . 19126 1
290 . 1 1 37 37 ALA HB3 H 1 1.491 0.007 . 1 . . . A 251 ALA HB3 . 19126 1
291 . 1 1 37 37 ALA CA C 13 54.327 0.314 . 1 . . . A 251 ALA CA . 19126 1
292 . 1 1 37 37 ALA CB C 13 19.300 0.000 . 1 . . . A 251 ALA CB . 19126 1
293 . 1 1 37 37 ALA N N 15 121.017 0.133 . 1 . . . A 251 ALA N . 19126 1
294 . 1 1 38 38 ARG H H 1 8.102 0.007 . 1 . . . A 252 ARG H . 19126 1
295 . 1 1 38 38 ARG HA H 1 4.289 0.000 . 1 . . . A 252 ARG HA . 19126 1
296 . 1 1 38 38 ARG HB2 H 1 1.878 0.000 . 2 . . . A 252 ARG HB2 . 19126 1
297 . 1 1 38 38 ARG HB3 H 1 1.878 0.000 . 2 . . . A 252 ARG HB3 . 19126 1
298 . 1 1 38 38 ARG HG2 H 1 1.510 0.000 . 2 . . . A 252 ARG HG2 . 19126 1
299 . 1 1 38 38 ARG HG3 H 1 1.510 0.000 . 2 . . . A 252 ARG HG3 . 19126 1
300 . 1 1 38 38 ARG HD2 H 1 3.213 0.000 . 2 . . . A 252 ARG HD2 . 19126 1
301 . 1 1 38 38 ARG HD3 H 1 3.213 0.000 . 2 . . . A 252 ARG HD3 . 19126 1
302 . 1 1 38 38 ARG HE H 1 7.393 0.005 . 1 . . . A 252 ARG HE . 19126 1
303 . 1 1 38 38 ARG CA C 13 56.507 0.000 . 1 . . . A 252 ARG CA . 19126 1
304 . 1 1 38 38 ARG CB C 13 28.81 0.000 . 1 . . . A 252 ARG CB . 19126 1
305 . 1 1 38 38 ARG CD C 13 43.566 0.000 . 1 . . . A 252 ARG CD . 19126 1
306 . 1 1 38 38 ARG N N 15 119.180 0.127 . 1 . . . A 252 ARG N . 19126 1
307 . 1 1 38 38 ARG NE N 15 84.194 0.032 . 1 . . . A 252 ARG NE . 19126 1
308 . 1 1 39 39 VAL H H 1 7.680 0.000 . 1 . . . A 253 VAL H . 19126 1
309 . 1 1 39 39 VAL HB H 1 2.206 0.000 . 1 . . . A 253 VAL HB . 19126 1
310 . 1 1 39 39 VAL HG11 H 1 0.864 0.000 . 2 . . . A 253 VAL HG11 . 19126 1
311 . 1 1 39 39 VAL HG12 H 1 0.864 0.000 . 2 . . . A 253 VAL HG12 . 19126 1
312 . 1 1 39 39 VAL HG13 H 1 0.864 0.000 . 2 . . . A 253 VAL HG13 . 19126 1
313 . 1 1 39 39 VAL HG21 H 1 0.864 0.000 . 2 . . . A 253 VAL HG21 . 19126 1
314 . 1 1 39 39 VAL HG22 H 1 0.864 0.000 . 2 . . . A 253 VAL HG22 . 19126 1
315 . 1 1 39 39 VAL HG23 H 1 0.864 0.000 . 2 . . . A 253 VAL HG23 . 19126 1
316 . 1 1 39 39 VAL CA C 13 63.356 0.203 . 1 . . . A 253 VAL CA . 19126 1
317 . 1 1 39 39 VAL CB C 13 31.977 0.000 . 1 . . . A 253 VAL CB . 19126 1
318 . 1 1 39 39 VAL CG1 C 13 21.978 0.000 . 2 . . . A 253 VAL CG1 . 19126 1
319 . 1 1 39 39 VAL N N 15 118.180 0.000 . 1 . . . A 253 VAL N . 19126 1
320 . 1 1 40 40 GLY H H 1 8.310 0.021 . 1 . . . A 254 GLY H . 19126 1
321 . 1 1 40 40 GLY HA2 H 1 4.195 0.000 . 2 . . . A 254 GLY HA2 . 19126 1
322 . 1 1 40 40 GLY HA3 H 1 4.195 0.000 . 2 . . . A 254 GLY HA3 . 19126 1
323 . 1 1 40 40 GLY CA C 13 46.533 0.000 . 1 . . . A 254 GLY CA . 19126 1
324 . 1 1 40 40 GLY N N 15 107.662 0.135 . 1 . . . A 254 GLY N . 19126 1
325 . 1 1 41 41 LEU H H 1 7.951 0.005 . 1 . . . A 255 LEU H . 19126 1
326 . 1 1 41 41 LEU HA H 1 4.370 0.008 . 1 . . . A 255 LEU HA . 19126 1
327 . 1 1 41 41 LEU HB2 H 1 1.925 0.000 . 2 . . . A 255 LEU HB2 . 19126 1
328 . 1 1 41 41 LEU HB3 H 1 1.925 0.000 . 2 . . . A 255 LEU HB3 . 19126 1
329 . 1 1 41 41 LEU HG H 1 1.632 0.000 . 1 . . . A 255 LEU HG . 19126 1
330 . 1 1 41 41 LEU HD11 H 1 0.917 0.000 . 2 . . . A 255 LEU HD11 . 19126 1
331 . 1 1 41 41 LEU HD12 H 1 0.917 0.000 . 2 . . . A 255 LEU HD12 . 19126 1
332 . 1 1 41 41 LEU HD13 H 1 0.917 0.000 . 2 . . . A 255 LEU HD13 . 19126 1
333 . 1 1 41 41 LEU HD21 H 1 0.917 0.000 . 2 . . . A 255 LEU HD21 . 19126 1
334 . 1 1 41 41 LEU HD22 H 1 0.917 0.000 . 2 . . . A 255 LEU HD22 . 19126 1
335 . 1 1 41 41 LEU HD23 H 1 0.917 0.000 . 2 . . . A 255 LEU HD23 . 19126 1
336 . 1 1 41 41 LEU CA C 13 57.285 0.000 . 1 . . . A 255 LEU CA . 19126 1
337 . 1 1 41 41 LEU CB C 13 42.635 0.000 . 1 . . . A 255 LEU CB . 19126 1
338 . 1 1 41 41 LEU CG C 13 26.822 0.000 . 1 . . . A 255 LEU CG . 19126 1
339 . 1 1 41 41 LEU N N 15 121.288 0.117 . 1 . . . A 255 LEU N . 19126 1
340 . 1 1 42 42 GLY H H 1 8.252 0.007 . 1 . . . A 256 GLY H . 19126 1
341 . 1 1 42 42 GLY HA2 H 1 4.013 0.049 . 2 . . . A 256 GLY HA2 . 19126 1
342 . 1 1 42 42 GLY HA3 H 1 4.013 0.049 . 2 . . . A 256 GLY HA3 . 19126 1
343 . 1 1 42 42 GLY CA C 13 45.803 0.192 . 1 . . . A 256 GLY CA . 19126 1
344 . 1 1 42 42 GLY N N 15 109.115 0.258 . 1 . . . A 256 GLY N . 19126 1
345 . 1 1 43 43 ILE H H 1 8.227 0.003 . 1 . . . A 257 ILE H . 19126 1
346 . 1 1 43 43 ILE HA H 1 4.660 0.000 . 1 . . . A 257 ILE HA . 19126 1
347 . 1 1 43 43 ILE HB H 1 1.846 0.000 . 1 . . . A 257 ILE HB . 19126 1
348 . 1 1 43 43 ILE HG12 H 1 1.284 0.000 . 2 . . . A 257 ILE HG12 . 19126 1
349 . 1 1 43 43 ILE HG13 H 1 1.284 0.000 . 2 . . . A 257 ILE HG13 . 19126 1
350 . 1 1 43 43 ILE HG21 H 1 0.925 0.000 . 1 . . . A 257 ILE HG21 . 19126 1
351 . 1 1 43 43 ILE HG22 H 1 0.925 0.000 . 1 . . . A 257 ILE HG22 . 19126 1
352 . 1 1 43 43 ILE HG23 H 1 0.925 0.000 . 1 . . . A 257 ILE HG23 . 19126 1
353 . 1 1 43 43 ILE HD11 H 1 0.878 0.000 . 1 . . . A 257 ILE HD11 . 19126 1
354 . 1 1 43 43 ILE HD12 H 1 0.878 0.000 . 1 . . . A 257 ILE HD12 . 19126 1
355 . 1 1 43 43 ILE HD13 H 1 0.878 0.000 . 1 . . . A 257 ILE HD13 . 19126 1
356 . 1 1 43 43 ILE CA C 13 65.238 0.355 . 1 . . . A 257 ILE CA . 19126 1
357 . 1 1 43 43 ILE CB C 13 41.815 0.000 . 1 . . . A 257 ILE CB . 19126 1
358 . 1 1 43 43 ILE CD1 C 13 13.497 0.000 . 1 . . . A 257 ILE CD1 . 19126 1
359 . 1 1 43 43 ILE N N 15 120.637 0.001 . 1 . . . A 257 ILE N . 19126 1
360 . 1 1 44 44 THR H H 1 8.256 0.000 . 1 . . . A 258 THR H . 19126 1
361 . 1 1 44 44 THR HA H 1 4.664 0.000 . 1 . . . A 258 THR HA . 19126 1
362 . 1 1 44 44 THR HB H 1 4.359 0.000 . 1 . . . A 258 THR HB . 19126 1
363 . 1 1 44 44 THR HG21 H 1 1.189 0.000 . 1 . . . A 258 THR HG21 . 19126 1
364 . 1 1 44 44 THR HG22 H 1 1.189 0.000 . 1 . . . A 258 THR HG22 . 19126 1
365 . 1 1 44 44 THR HG23 H 1 1.189 0.000 . 1 . . . A 258 THR HG23 . 19126 1
366 . 1 1 44 44 THR CA C 13 66.103 0.000 . 1 . . . A 258 THR CA . 19126 1
367 . 1 1 44 44 THR CB C 13 71.769 0.000 . 1 . . . A 258 THR CB . 19126 1
368 . 1 1 44 44 THR N N 15 113.902 0.000 . 1 . . . A 258 THR N . 19126 1
369 . 1 1 45 45 THR H H 1 8.073 0.003 . 1 . . . A 259 THR H . 19126 1
370 . 1 1 45 45 THR HA H 1 4.254 0.000 . 1 . . . A 259 THR HA . 19126 1
371 . 1 1 45 45 THR HB H 1 4.173 0.000 . 1 . . . A 259 THR HB . 19126 1
372 . 1 1 45 45 THR CB C 13 70.305 0.000 . 1 . . . A 259 THR CB . 19126 1
373 . 1 1 45 45 THR N N 15 118.720 0.071 . 1 . . . A 259 THR N . 19126 1
374 . 1 1 46 46 VAL H H 1 7.902 0.000 . 1 . . . A 260 VAL H . 19126 1
375 . 1 1 46 46 VAL HA H 1 3.985 0.000 . 1 . . . A 260 VAL HA . 19126 1
376 . 1 1 46 46 VAL HB H 1 2.086 0.000 . 1 . . . A 260 VAL HB . 19126 1
377 . 1 1 46 46 VAL HG11 H 1 0.972 0.008 . 2 . . . A 260 VAL HG11 . 19126 1
378 . 1 1 46 46 VAL HG12 H 1 0.972 0.008 . 2 . . . A 260 VAL HG12 . 19126 1
379 . 1 1 46 46 VAL HG13 H 1 0.972 0.008 . 2 . . . A 260 VAL HG13 . 19126 1
380 . 1 1 46 46 VAL HG21 H 1 0.965 0.000 . 2 . . . A 260 VAL HG21 . 19126 1
381 . 1 1 46 46 VAL HG22 H 1 0.965 0.000 . 2 . . . A 260 VAL HG22 . 19126 1
382 . 1 1 46 46 VAL HG23 H 1 0.965 0.000 . 2 . . . A 260 VAL HG23 . 19126 1
383 . 1 1 46 46 VAL CA C 13 64.241 0.193 . 1 . . . A 260 VAL CA . 19126 1
384 . 1 1 46 46 VAL CB C 13 32.207 0.108 . 1 . . . A 260 VAL CB . 19126 1
385 . 1 1 46 46 VAL CG1 C 13 21.602 0.146 . 2 . . . A 260 VAL CG1 . 19126 1
386 . 1 1 46 46 VAL N N 15 117.858 0.056 . 1 . . . A 260 VAL N . 19126 1
387 . 1 1 47 47 LEU H H 1 8.307 0.119 . 1 . . . A 261 LEU H . 19126 1
388 . 1 1 47 47 LEU HA H 1 3.947 0.000 . 1 . . . A 261 LEU HA . 19126 1
389 . 1 1 47 47 LEU HB2 H 1 1.798 0.000 . 2 . . . A 261 LEU HB2 . 19126 1
390 . 1 1 47 47 LEU HB3 H 1 1.798 0.000 . 2 . . . A 261 LEU HB3 . 19126 1
391 . 1 1 47 47 LEU HD11 H 1 0.895 0.000 . 2 . . . A 261 LEU HD11 . 19126 1
392 . 1 1 47 47 LEU HD12 H 1 0.895 0.000 . 2 . . . A 261 LEU HD12 . 19126 1
393 . 1 1 47 47 LEU HD13 H 1 0.895 0.000 . 2 . . . A 261 LEU HD13 . 19126 1
394 . 1 1 47 47 LEU HD21 H 1 0.895 0.000 . 2 . . . A 261 LEU HD21 . 19126 1
395 . 1 1 47 47 LEU HD22 H 1 0.895 0.000 . 2 . . . A 261 LEU HD22 . 19126 1
396 . 1 1 47 47 LEU HD23 H 1 0.895 0.000 . 2 . . . A 261 LEU HD23 . 19126 1
397 . 1 1 47 47 LEU CA C 13 55.959 0.000 . 1 . . . A 261 LEU CA . 19126 1
398 . 1 1 47 47 LEU CB C 13 39.500 0.000 . 1 . . . A 261 LEU CB . 19126 1
399 . 1 1 47 47 LEU N N 15 120.433 0.376 . 1 . . . A 261 LEU N . 19126 1
400 . 1 1 48 48 THR H H 1 8.175 0.015 . 1 . . . A 262 THR H . 19126 1
401 . 1 1 48 48 THR HA H 1 4.705 0.000 . 1 . . . A 262 THR HA . 19126 1
402 . 1 1 48 48 THR HB H 1 3.934 0.000 . 1 . . . A 262 THR HB . 19126 1
403 . 1 1 48 48 THR CA C 13 61.896 0.223 . 1 . . . A 262 THR CA . 19126 1
404 . 1 1 48 48 THR CB C 13 69.819 0.011 . 1 . . . A 262 THR CB . 19126 1
405 . 1 1 48 48 THR N N 15 115.717 0.097 . 1 . . . A 262 THR N . 19126 1
406 . 1 1 49 49 LEU H H 1 7.925 0.006 . 1 . . . A 263 LEU H . 19126 1
407 . 1 1 49 49 LEU HA H 1 3.970 0.029 . 1 . . . A 263 LEU HA . 19126 1
408 . 1 1 49 49 LEU HB2 H 1 1.740 0.000 . 2 . . . A 263 LEU HB2 . 19126 1
409 . 1 1 49 49 LEU HB3 H 1 1.740 0.000 . 2 . . . A 263 LEU HB3 . 19126 1
410 . 1 1 49 49 LEU HG H 1 1.506 0.000 . 1 . . . A 263 LEU HG . 19126 1
411 . 1 1 49 49 LEU HD11 H 1 0.919 0.002 . 2 . . . A 263 LEU HD11 . 19126 1
412 . 1 1 49 49 LEU HD12 H 1 0.919 0.002 . 2 . . . A 263 LEU HD12 . 19126 1
413 . 1 1 49 49 LEU HD13 H 1 0.919 0.002 . 2 . . . A 263 LEU HD13 . 19126 1
414 . 1 1 49 49 LEU HD21 H 1 0.919 0.002 . 2 . . . A 263 LEU HD21 . 19126 1
415 . 1 1 49 49 LEU HD22 H 1 0.919 0.002 . 2 . . . A 263 LEU HD22 . 19126 1
416 . 1 1 49 49 LEU HD23 H 1 0.919 0.002 . 2 . . . A 263 LEU HD23 . 19126 1
417 . 1 1 49 49 LEU CA C 13 57.388 0.148 . 1 . . . A 263 LEU CA . 19126 1
418 . 1 1 49 49 LEU CB C 13 41.854 0.000 . 1 . . . A 263 LEU CB . 19126 1
419 . 1 1 49 49 LEU N N 15 121.864 0.075 . 1 . . . A 263 LEU N . 19126 1
420 . 1 1 50 50 THR H H 1 7.919 0.008 . 1 . . . A 264 THR H . 19126 1
421 . 1 1 50 50 THR HA H 1 4.193 0.000 . 1 . . . A 264 THR HA . 19126 1
422 . 1 1 50 50 THR C C 13 178.684 0.000 . 1 . . . A 264 THR C . 19126 1
423 . 1 1 50 50 THR CA C 13 64.380 0.110 . 1 . . . A 264 THR CA . 19126 1
424 . 1 1 50 50 THR CB C 13 68.879 0.000 . 1 . . . A 264 THR CB . 19126 1
425 . 1 1 50 50 THR N N 15 109.105 0.050 . 1 . . . A 264 THR N . 19126 1
426 . 1 1 51 51 THR H H 1 7.782 0.011 . 1 . . . A 265 THR H . 19126 1
427 . 1 1 51 51 THR HA H 1 4.366 0.000 . 1 . . . A 265 THR HA . 19126 1
428 . 1 1 51 51 THR HB H 1 4.171 0.000 . 1 . . . A 265 THR HB . 19126 1
429 . 1 1 51 51 THR HG21 H 1 1.292 0.000 . 1 . . . A 265 THR HG21 . 19126 1
430 . 1 1 51 51 THR HG22 H 1 1.292 0.000 . 1 . . . A 265 THR HG22 . 19126 1
431 . 1 1 51 51 THR HG23 H 1 1.292 0.000 . 1 . . . A 265 THR HG23 . 19126 1
432 . 1 1 51 51 THR C C 13 175.959 0.000 . 1 . . . A 265 THR C . 19126 1
433 . 1 1 51 51 THR CA C 13 63.362 0.000 . 1 . . . A 265 THR CA . 19126 1
434 . 1 1 51 51 THR CB C 13 69.856 0.000 . 1 . . . A 265 THR CB . 19126 1
435 . 1 1 51 51 THR N N 15 112.907 0.087 . 1 . . . A 265 THR N . 19126 1
436 . 1 1 52 52 GLN H H 1 8.018 0.009 . 1 . . . A 266 GLN H . 19126 1
437 . 1 1 52 52 GLN HA H 1 4.383 0.000 . 1 . . . A 266 GLN HA . 19126 1
438 . 1 1 52 52 GLN HB2 H 1 2.171 0.002 . 2 . . . A 266 GLN HB2 . 19126 1
439 . 1 1 52 52 GLN HB3 H 1 2.171 0.002 . 2 . . . A 266 GLN HB3 . 19126 1
440 . 1 1 52 52 GLN HG2 H 1 2.237 0.012 . 2 . . . A 266 GLN HG2 . 19126 1
441 . 1 1 52 52 GLN HG3 H 1 2.237 0.012 . 2 . . . A 266 GLN HG3 . 19126 1
442 . 1 1 52 52 GLN HE21 H 1 7.433 0.131 . 2 . . . A 266 GLN HE21 . 19126 1
443 . 1 1 52 52 GLN HE22 H 1 7.433 0.131 . 2 . . . A 266 GLN HE22 . 19126 1
444 . 1 1 52 52 GLN C C 13 175.667 0.000 . 1 . . . A 266 GLN C . 19126 1
445 . 1 1 52 52 GLN CA C 13 56.451 0.000 . 1 . . . A 266 GLN CA . 19126 1
446 . 1 1 52 52 GLN CB C 13 29.312 0.000 . 1 . . . A 266 GLN CB . 19126 1
447 . 1 1 52 52 GLN CG C 13 34.039 0.000 . 1 . . . A 266 GLN CG . 19126 1
448 . 1 1 52 52 GLN N N 15 120.675 0.097 . 1 . . . A 266 GLN N . 19126 1
449 . 1 1 52 52 GLN NE2 N 15 111.376 0.089 . 1 . . . A 266 GLN NE2 . 19126 1
450 . 1 1 53 53 SER H H 1 8.063 0.005 . 1 . . . A 267 SER H . 19126 1
451 . 1 1 53 53 SER HA H 1 4.649 0.006 . 1 . . . A 267 SER HA . 19126 1
452 . 1 1 53 53 SER HB2 H 1 3.864 0.000 . 2 . . . A 267 SER HB2 . 19126 1
453 . 1 1 53 53 SER HB3 H 1 3.864 0.000 . 2 . . . A 267 SER HB3 . 19126 1
454 . 1 1 53 53 SER C C 13 176.659 0.000 . 1 . . . A 267 SER C . 19126 1
455 . 1 1 53 53 SER CA C 13 59.069 0.000 . 1 . . . A 267 SER CA . 19126 1
456 . 1 1 53 53 SER CB C 13 63.864 0.129 . 1 . . . A 267 SER CB . 19126 1
457 . 1 1 53 53 SER N N 15 115.321 0.019 . 1 . . . A 267 SER N . 19126 1
458 . 1 1 54 54 SER H H 1 8.205 0.008 . 1 . . . A 268 SER H . 19126 1
459 . 1 1 54 54 SER HA H 1 4.446 0.000 . 1 . . . A 268 SER HA . 19126 1
460 . 1 1 54 54 SER HB2 H 1 3.938 0.015 . 2 . . . A 268 SER HB2 . 19126 1
461 . 1 1 54 54 SER HB3 H 1 3.938 0.015 . 2 . . . A 268 SER HB3 . 19126 1
462 . 1 1 54 54 SER C C 13 175.005 0.000 . 1 . . . A 268 SER C . 19126 1
463 . 1 1 54 54 SER CA C 13 58.974 0.000 . 1 . . . A 268 SER CA . 19126 1
464 . 1 1 54 54 SER CB C 13 63.923 0.069 . 1 . . . A 268 SER CB . 19126 1
465 . 1 1 54 54 SER N N 15 116.990 0.016 . 1 . . . A 268 SER N . 19126 1
466 . 1 1 55 55 GLY H H 1 8.371 0.007 . 1 . . . A 269 GLY H . 19126 1
467 . 1 1 55 55 GLY HA2 H 1 4.213 0.199 . 2 . . . A 269 GLY HA2 . 19126 1
468 . 1 1 55 55 GLY HA3 H 1 4.005 0.000 . 2 . . . A 269 GLY HA3 . 19126 1
469 . 1 1 55 55 GLY C C 13 175.374 0.000 . 1 . . . A 269 GLY C . 19126 1
470 . 1 1 55 55 GLY CA C 13 45.788 0.020 . 1 . . . A 269 GLY CA . 19126 1
471 . 1 1 55 55 GLY N N 15 110.471 0.060 . 1 . . . A 269 GLY N . 19126 1
472 . 1 1 56 56 SER H H 1 8.065 0.018 . 1 . . . A 270 SER H . 19126 1
473 . 1 1 56 56 SER HA H 1 4.478 0.008 . 1 . . . A 270 SER HA . 19126 1
474 . 1 1 56 56 SER HB2 H 1 3.913 0.015 . 2 . . . A 270 SER HB2 . 19126 1
475 . 1 1 56 56 SER HB3 H 1 3.913 0.015 . 2 . . . A 270 SER HB3 . 19126 1
476 . 1 1 56 56 SER C C 13 174.433 0.000 . 1 . . . A 270 SER C . 19126 1
477 . 1 1 56 56 SER CA C 13 58.744 0.097 . 1 . . . A 270 SER CA . 19126 1
478 . 1 1 56 56 SER CB C 13 63.977 0.108 . 1 . . . A 270 SER CB . 19126 1
479 . 1 1 56 56 SER N N 15 115.418 0.062 . 1 . . . A 270 SER N . 19126 1
480 . 1 1 57 57 ARG H H 1 8.225 0.008 . 1 . . . A 271 ARG H . 19126 1
481 . 1 1 57 57 ARG HA H 1 4.328 0.013 . 1 . . . A 271 ARG HA . 19126 1
482 . 1 1 57 57 ARG HB2 H 1 1.869 0.050 . 2 . . . A 271 ARG HB2 . 19126 1
483 . 1 1 57 57 ARG HB3 H 1 1.869 0.050 . 2 . . . A 271 ARG HB3 . 19126 1
484 . 1 1 57 57 ARG HG2 H 1 1.683 0.000 . 2 . . . A 271 ARG HG2 . 19126 1
485 . 1 1 57 57 ARG HG3 H 1 1.683 0.000 . 2 . . . A 271 ARG HG3 . 19126 1
486 . 1 1 57 57 ARG HD2 H 1 3.227 0.000 . 2 . . . A 271 ARG HD2 . 19126 1
487 . 1 1 57 57 ARG HD3 H 1 3.227 0.000 . 2 . . . A 271 ARG HD3 . 19126 1
488 . 1 1 57 57 ARG HE H 1 7.300 0.016 . 1 . . . A 271 ARG HE . 19126 1
489 . 1 1 57 57 ARG C C 13 174.588 0.000 . 1 . . . A 271 ARG C . 19126 1
490 . 1 1 57 57 ARG CA C 13 56.370 0.039 . 1 . . . A 271 ARG CA . 19126 1
491 . 1 1 57 57 ARG CB C 13 30.795 0.137 . 1 . . . A 271 ARG CB . 19126 1
492 . 1 1 57 57 ARG CG C 13 27.407 0.000 . 1 . . . A 271 ARG CG . 19126 1
493 . 1 1 57 57 ARG CD C 13 43.414 0.000 . 1 . . . A 271 ARG CD . 19126 1
494 . 1 1 57 57 ARG N N 15 121.822 0.069 . 1 . . . A 271 ARG N . 19126 1
495 . 1 1 57 57 ARG NE N 15 84.530 0.340 . 1 . . . A 271 ARG NE . 19126 1
496 . 1 1 58 58 ALA H H 1 8.088 0.015 . 1 . . . A 272 ALA H . 19126 1
497 . 1 1 58 58 ALA HA H 1 4.340 0.000 . 1 . . . A 272 ALA HA . 19126 1
498 . 1 1 58 58 ALA HB1 H 1 1.379 0.015 . 1 . . . A 272 ALA HB1 . 19126 1
499 . 1 1 58 58 ALA HB2 H 1 1.379 0.015 . 1 . . . A 272 ALA HB2 . 19126 1
500 . 1 1 58 58 ALA HB3 H 1 1.379 0.015 . 1 . . . A 272 ALA HB3 . 19126 1
501 . 1 1 58 58 ALA C C 13 175.948 0.000 . 1 . . . A 272 ALA C . 19126 1
502 . 1 1 58 58 ALA CA C 13 52.559 0.037 . 1 . . . A 272 ALA CA . 19126 1
503 . 1 1 58 58 ALA CB C 13 19.420 0.055 . 1 . . . A 272 ALA CB . 19126 1
504 . 1 1 58 58 ALA N N 15 123.488 0.134 . 1 . . . A 272 ALA N . 19126 1
505 . 1 1 59 59 SER H H 1 7.910 0.010 . 1 . . . A 273 SER H . 19126 1
506 . 1 1 59 59 SER HA H 1 4.348 0.008 . 1 . . . A 273 SER HA . 19126 1
507 . 1 1 59 59 SER HB2 H 1 3.844 0.006 . 2 . . . A 273 SER HB2 . 19126 1
508 . 1 1 59 59 SER HB3 H 1 3.844 0.006 . 2 . . . A 273 SER HB3 . 19126 1
509 . 1 1 59 59 SER C C 13 176.784 0.000 . 1 . . . A 273 SER C . 19126 1
510 . 1 1 59 59 SER CA C 13 57.889 0.125 . 1 . . . A 273 SER CA . 19126 1
511 . 1 1 59 59 SER CB C 13 64.373 0.000 . 1 . . . A 273 SER CB . 19126 1
512 . 1 1 59 59 SER N N 15 113.942 0.083 . 1 . . . A 273 SER N . 19126 1
513 . 1 1 60 60 LEU H H 1 8.050 0.005 . 1 . . . A 274 LEU H . 19126 1
514 . 1 1 60 60 LEU HA H 1 4.507 0.004 . 1 . . . A 274 LEU HA . 19126 1
515 . 1 1 60 60 LEU HB2 H 1 1.704 0.006 . 2 . . . A 274 LEU HB2 . 19126 1
516 . 1 1 60 60 LEU HB3 H 1 1.704 0.006 . 2 . . . A 274 LEU HB3 . 19126 1
517 . 1 1 60 60 LEU HG H 1 1.520 0.000 . 1 . . . A 274 LEU HG . 19126 1
518 . 1 1 60 60 LEU HD11 H 1 1.042 0.000 . 2 . . . A 274 LEU HD11 . 19126 1
519 . 1 1 60 60 LEU HD12 H 1 1.042 0.000 . 2 . . . A 274 LEU HD12 . 19126 1
520 . 1 1 60 60 LEU HD13 H 1 1.042 0.000 . 2 . . . A 274 LEU HD13 . 19126 1
521 . 1 1 60 60 LEU HD21 H 1 0.938 0.000 . 2 . . . A 274 LEU HD21 . 19126 1
522 . 1 1 60 60 LEU HD22 H 1 0.938 0.000 . 2 . . . A 274 LEU HD22 . 19126 1
523 . 1 1 60 60 LEU HD23 H 1 0.938 0.000 . 2 . . . A 274 LEU HD23 . 19126 1
524 . 1 1 60 60 LEU C C 13 173.635 0.000 . 1 . . . A 274 LEU C . 19126 1
525 . 1 1 60 60 LEU CA C 13 53.384 0.000 . 1 . . . A 274 LEU CA . 19126 1
526 . 1 1 60 60 LEU CB C 13 42.149 0.000 . 1 . . . A 274 LEU CB . 19126 1
527 . 1 1 60 60 LEU CD1 C 13 22.565 0.000 . 2 . . . A 274 LEU CD1 . 19126 1
528 . 1 1 60 60 LEU N N 15 122.723 0.061 . 1 . . . A 274 LEU N . 19126 1
529 . 1 1 61 61 PRO CA C 13 63.566 0.000 . 1 . . . A 275 PRO CA . 19126 1
530 . 1 1 62 62 LYS H H 1 8.326 0.003 . 1 . . . A 276 LYS H . 19126 1
531 . 1 1 62 62 LYS HA H 1 4.263 0.000 . 1 . . . A 276 LYS HA . 19126 1
532 . 1 1 62 62 LYS HD2 H 1 1.603 0.000 . 2 . . . A 276 LYS HD2 . 19126 1
533 . 1 1 62 62 LYS HD3 H 1 1.603 0.000 . 2 . . . A 276 LYS HD3 . 19126 1
534 . 1 1 62 62 LYS CA C 13 56.564 0.000 . 1 . . . A 276 LYS CA . 19126 1
535 . 1 1 62 62 LYS N N 15 117.423 0.064 . 1 . . . A 276 LYS N . 19126 1
536 . 1 1 63 63 VAL H H 1 7.885 0.013 . 1 . . . A 277 VAL H . 19126 1
537 . 1 1 63 63 VAL HA H 1 3.918 0.000 . 1 . . . A 277 VAL HA . 19126 1
538 . 1 1 63 63 VAL HB H 1 1.957 0.000 . 1 . . . A 277 VAL HB . 19126 1
539 . 1 1 63 63 VAL CA C 13 63.931 0.000 . 1 . . . A 277 VAL CA . 19126 1
540 . 1 1 63 63 VAL CB C 13 32.102 0.000 . 1 . . . A 277 VAL CB . 19126 1
541 . 1 1 63 63 VAL N N 15 118.112 0.095 . 1 . . . A 277 VAL N . 19126 1
542 . 1 1 64 64 SER H H 1 8.318 0.000 . 1 . . . A 278 SER H . 19126 1
543 . 1 1 64 64 SER HA H 1 4.420 0.000 . 1 . . . A 278 SER HA . 19126 1
544 . 1 1 64 64 SER HB2 H 1 3.924 0.000 . 2 . . . A 278 SER HB2 . 19126 1
545 . 1 1 64 64 SER HB3 H 1 3.924 0.000 . 2 . . . A 278 SER HB3 . 19126 1
546 . 1 1 64 64 SER CA C 13 58.903 0.051 . 1 . . . A 278 SER CA . 19126 1
547 . 1 1 64 64 SER CB C 13 64.078 0.000 . 1 . . . A 278 SER CB . 19126 1
548 . 1 1 64 64 SER N N 15 117.266 0.000 . 1 . . . A 278 SER N . 19126 1
549 . 1 1 65 65 TYR H H 1 8.199 0.007 . 1 . . . A 279 TYR H . 19126 1
550 . 1 1 65 65 TYR HA H 1 3.959 0.000 . 1 . . . A 279 TYR HA . 19126 1
551 . 1 1 65 65 TYR HB2 H 1 2.880 0.000 . 2 . . . A 279 TYR HB2 . 19126 1
552 . 1 1 65 65 TYR HB3 H 1 2.880 0.000 . 2 . . . A 279 TYR HB3 . 19126 1
553 . 1 1 65 65 TYR CA C 13 58.518 0.000 . 1 . . . A 279 TYR CA . 19126 1
554 . 1 1 65 65 TYR N N 15 118.921 0.042 . 1 . . . A 279 TYR N . 19126 1
555 . 1 1 66 66 VAL H H 1 7.809 0.005 . 1 . . . A 280 VAL H . 19126 1
556 . 1 1 66 66 VAL HA H 1 3.965 0.000 . 1 . . . A 280 VAL HA . 19126 1
557 . 1 1 66 66 VAL HB H 1 1.771 0.000 . 1 . . . A 280 VAL HB . 19126 1
558 . 1 1 66 66 VAL HG11 H 1 1.269 0.000 . 2 . . . A 280 VAL HG11 . 19126 1
559 . 1 1 66 66 VAL HG12 H 1 1.269 0.000 . 2 . . . A 280 VAL HG12 . 19126 1
560 . 1 1 66 66 VAL HG13 H 1 1.269 0.000 . 2 . . . A 280 VAL HG13 . 19126 1
561 . 1 1 66 66 VAL HG21 H 1 1.051 0.000 . 2 . . . A 280 VAL HG21 . 19126 1
562 . 1 1 66 66 VAL HG22 H 1 1.051 0.000 . 2 . . . A 280 VAL HG22 . 19126 1
563 . 1 1 66 66 VAL HG23 H 1 1.051 0.000 . 2 . . . A 280 VAL HG23 . 19126 1
564 . 1 1 66 66 VAL CA C 13 63.184 0.000 . 1 . . . A 280 VAL CA . 19126 1
565 . 1 1 66 66 VAL N N 15 116.581 0.095 . 1 . . . A 280 VAL N . 19126 1
566 . 1 1 67 67 LYS H H 1 7.798 0.000 . 1 . . . A 281 LYS H . 19126 1
567 . 1 1 67 67 LYS HA H 1 4.312 0.000 . 1 . . . A 281 LYS HA . 19126 1
568 . 1 1 67 67 LYS HB2 H 1 1.898 0.000 . 2 . . . A 281 LYS HB2 . 19126 1
569 . 1 1 67 67 LYS HB3 H 1 1.898 0.000 . 2 . . . A 281 LYS HB3 . 19126 1
570 . 1 1 67 67 LYS CA C 13 57.374 0.000 . 1 . . . A 281 LYS CA . 19126 1
571 . 1 1 67 67 LYS CB C 13 32.374 0.000 . 1 . . . A 281 LYS CB . 19126 1
572 . 1 1 67 67 LYS N N 15 119.781 0.000 . 1 . . . A 281 LYS N . 19126 1
573 . 1 1 68 68 ALA H H 1 7.768 0.005 . 1 . . . A 282 ALA H . 19126 1
574 . 1 1 68 68 ALA HA H 1 4.385 0.000 . 1 . . . A 282 ALA HA . 19126 1
575 . 1 1 68 68 ALA HB1 H 1 1.276 0.000 . 1 . . . A 282 ALA HB1 . 19126 1
576 . 1 1 68 68 ALA HB2 H 1 1.276 0.000 . 1 . . . A 282 ALA HB2 . 19126 1
577 . 1 1 68 68 ALA HB3 H 1 1.276 0.000 . 1 . . . A 282 ALA HB3 . 19126 1
578 . 1 1 68 68 ALA C C 13 174.646 0.000 . 1 . . . A 282 ALA C . 19126 1
579 . 1 1 68 68 ALA CA C 13 55.361 0.000 . 1 . . . A 282 ALA CA . 19126 1
580 . 1 1 68 68 ALA CB C 13 19.618 0.000 . 1 . . . A 282 ALA CB . 19126 1
581 . 1 1 68 68 ALA N N 15 121.141 0.068 . 1 . . . A 282 ALA N . 19126 1
582 . 1 1 69 69 ILE H H 1 8.121 0.013 . 1 . . . A 283 ILE H . 19126 1
583 . 1 1 69 69 ILE HA H 1 4.027 0.000 . 1 . . . A 283 ILE HA . 19126 1
584 . 1 1 69 69 ILE CA C 13 62.476 0.000 . 1 . . . A 283 ILE CA . 19126 1
585 . 1 1 69 69 ILE CB C 13 39.350 0.000 . 1 . . . A 283 ILE CB . 19126 1
586 . 1 1 69 69 ILE N N 15 120.094 0.310 . 1 . . . A 283 ILE N . 19126 1
587 . 1 1 70 70 ASP H H 1 8.241 0.012 . 1 . . . A 284 ASP H . 19126 1
588 . 1 1 70 70 ASP HB2 H 1 2.877 0.000 . 2 . . . A 284 ASP HB2 . 19126 1
589 . 1 1 70 70 ASP HB3 H 1 2.877 0.000 . 2 . . . A 284 ASP HB3 . 19126 1
590 . 1 1 70 70 ASP CA C 13 53.754 0.021 . 1 . . . A 284 ASP CA . 19126 1
591 . 1 1 70 70 ASP CB C 13 39.408 0.000 . 1 . . . A 284 ASP CB . 19126 1
592 . 1 1 70 70 ASP N N 15 118.609 0.085 . 1 . . . A 284 ASP N . 19126 1
593 . 1 1 71 71 ILE H H 1 8.339 0.003 . 1 . . . A 285 ILE H . 19126 1
594 . 1 1 71 71 ILE HA H 1 4.007 0.000 . 1 . . . A 285 ILE HA . 19126 1
595 . 1 1 71 71 ILE HB H 1 1.827 0.000 . 1 . . . A 285 ILE HB . 19126 1
596 . 1 1 71 71 ILE HG12 H 1 1.144 0.000 . 2 . . . A 285 ILE HG12 . 19126 1
597 . 1 1 71 71 ILE HG13 H 1 1.144 0.000 . 2 . . . A 285 ILE HG13 . 19126 1
598 . 1 1 71 71 ILE HG21 H 1 1.281 0.001 . 1 . . . A 285 ILE HG21 . 19126 1
599 . 1 1 71 71 ILE HG22 H 1 1.281 0.001 . 1 . . . A 285 ILE HG22 . 19126 1
600 . 1 1 71 71 ILE HG23 H 1 1.281 0.001 . 1 . . . A 285 ILE HG23 . 19126 1
601 . 1 1 71 71 ILE CA C 13 65.812 0.134 . 1 . . . A 285 ILE CA . 19126 1
602 . 1 1 71 71 ILE CB C 13 39.341 0.000 . 1 . . . A 285 ILE CB . 19126 1
603 . 1 1 71 71 ILE N N 15 120.285 0.017 . 1 . . . A 285 ILE N . 19126 1
604 . 1 1 72 72 TRP H H 1 8.332 0.006 . 1 . . . A 286 TRP H . 19126 1
605 . 1 1 72 72 TRP HA H 1 4.647 0.000 . 1 . . . A 286 TRP HA . 19126 1
606 . 1 1 72 72 TRP HB2 H 1 3.242 0.006 . 2 . . . A 286 TRP HB2 . 19126 1
607 . 1 1 72 72 TRP HB3 H 1 3.242 0.006 . 2 . . . A 286 TRP HB3 . 19126 1
608 . 1 1 72 72 TRP CB C 13 29.407 0.086 . 1 . . . A 286 TRP CB . 19126 1
609 . 1 1 72 72 TRP N N 15 120.674 0.071 . 1 . . . A 286 TRP N . 19126 1
610 . 1 1 73 73 LEU H H 1 8.306 0.000 . 1 . . . A 287 LEU H . 19126 1
611 . 1 1 73 73 LEU HA H 1 4.033 0.000 . 1 . . . A 287 LEU HA . 19126 1
612 . 1 1 73 73 LEU HB2 H 1 1.782 0.000 . 2 . . . A 287 LEU HB2 . 19126 1
613 . 1 1 73 73 LEU HB3 H 1 1.782 0.000 . 2 . . . A 287 LEU HB3 . 19126 1
614 . 1 1 73 73 LEU N N 15 119.045 0.000 . 1 . . . A 287 LEU N . 19126 1
615 . 1 1 74 74 ALA H H 1 7.706 0.003 . 1 . . . A 288 ALA H . 19126 1
616 . 1 1 74 74 ALA HB1 H 1 1.395 0.000 . 1 . . . A 288 ALA HB1 . 19126 1
617 . 1 1 74 74 ALA HB2 H 1 1.395 0.000 . 1 . . . A 288 ALA HB2 . 19126 1
618 . 1 1 74 74 ALA HB3 H 1 1.395 0.000 . 1 . . . A 288 ALA HB3 . 19126 1
619 . 1 1 74 74 ALA CA C 13 54.020 0.000 . 1 . . . A 288 ALA CA . 19126 1
620 . 1 1 74 74 ALA CB C 13 19.285 0.218 . 1 . . . A 288 ALA CB . 19126 1
621 . 1 1 74 74 ALA N N 15 120.759 0.074 . 1 . . . A 288 ALA N . 19126 1
622 . 1 1 75 75 VAL H H 1 7.653 0.005 . 1 . . . A 289 VAL H . 19126 1
623 . 1 1 75 75 VAL HB H 1 2.033 0.000 . 1 . . . A 289 VAL HB . 19126 1
624 . 1 1 75 75 VAL HG11 H 1 0.948 0.000 . 2 . . . A 289 VAL HG11 . 19126 1
625 . 1 1 75 75 VAL HG12 H 1 0.948 0.000 . 2 . . . A 289 VAL HG12 . 19126 1
626 . 1 1 75 75 VAL HG13 H 1 0.948 0.000 . 2 . . . A 289 VAL HG13 . 19126 1
627 . 1 1 75 75 VAL HG21 H 1 0.948 0.000 . 2 . . . A 289 VAL HG21 . 19126 1
628 . 1 1 75 75 VAL HG22 H 1 0.948 0.000 . 2 . . . A 289 VAL HG22 . 19126 1
629 . 1 1 75 75 VAL HG23 H 1 0.948 0.000 . 2 . . . A 289 VAL HG23 . 19126 1
630 . 1 1 75 75 VAL N N 15 117.730 0.028 . 1 . . . A 289 VAL N . 19126 1
631 . 1 1 76 76 CYS H H 1 8.364 0.000 . 1 . . . A 290 CYS H . 19126 1
632 . 1 1 76 76 CYS HA H 1 4.496 0.000 . 1 . . . A 290 CYS HA . 19126 1
633 . 1 1 76 76 CYS N N 15 118.044 0.000 . 1 . . . A 290 CYS N . 19126 1
634 . 1 1 77 77 LEU H H 1 8.001 0.000 . 1 . . . A 291 LEU H . 19126 1
635 . 1 1 77 77 LEU HA H 1 4.276 0.000 . 1 . . . A 291 LEU HA . 19126 1
636 . 1 1 77 77 LEU HB2 H 1 1.851 0.019 . 2 . . . A 291 LEU HB2 . 19126 1
637 . 1 1 77 77 LEU HB3 H 1 1.851 0.019 . 2 . . . A 291 LEU HB3 . 19126 1
638 . 1 1 77 77 LEU HD11 H 1 0.947 0.000 . 2 . . . A 291 LEU HD11 . 19126 1
639 . 1 1 77 77 LEU HD12 H 1 0.947 0.000 . 2 . . . A 291 LEU HD12 . 19126 1
640 . 1 1 77 77 LEU HD13 H 1 0.947 0.000 . 2 . . . A 291 LEU HD13 . 19126 1
641 . 1 1 77 77 LEU HD21 H 1 0.947 0.000 . 2 . . . A 291 LEU HD21 . 19126 1
642 . 1 1 77 77 LEU HD22 H 1 0.947 0.000 . 2 . . . A 291 LEU HD22 . 19126 1
643 . 1 1 77 77 LEU HD23 H 1 0.947 0.000 . 2 . . . A 291 LEU HD23 . 19126 1
644 . 1 1 77 77 LEU N N 15 120.187 0.023 . 1 . . . A 291 LEU N . 19126 1
645 . 1 1 78 78 LEU H H 1 8.148 0.003 . 1 . . . A 292 LEU H . 19126 1
646 . 1 1 78 78 LEU HA H 1 4.292 0.000 . 1 . . . A 292 LEU HA . 19126 1
647 . 1 1 78 78 LEU HB2 H 1 1.820 0.000 . 2 . . . A 292 LEU HB2 . 19126 1
648 . 1 1 78 78 LEU HB3 H 1 1.820 0.000 . 2 . . . A 292 LEU HB3 . 19126 1
649 . 1 1 78 78 LEU HD11 H 1 0.950 0.000 . 2 . . . A 292 LEU HD11 . 19126 1
650 . 1 1 78 78 LEU HD12 H 1 0.950 0.000 . 2 . . . A 292 LEU HD12 . 19126 1
651 . 1 1 78 78 LEU HD13 H 1 0.950 0.000 . 2 . . . A 292 LEU HD13 . 19126 1
652 . 1 1 78 78 LEU HD21 H 1 0.950 0.000 . 2 . . . A 292 LEU HD21 . 19126 1
653 . 1 1 78 78 LEU HD22 H 1 0.950 0.000 . 2 . . . A 292 LEU HD22 . 19126 1
654 . 1 1 78 78 LEU HD23 H 1 0.950 0.000 . 2 . . . A 292 LEU HD23 . 19126 1
655 . 1 1 78 78 LEU CA C 13 55.981 0.000 . 1 . . . A 292 LEU CA . 19126 1
656 . 1 1 78 78 LEU CB C 13 39.198 0.000 . 1 . . . A 292 LEU CB . 19126 1
657 . 1 1 78 78 LEU N N 15 120.869 0.145 . 1 . . . A 292 LEU N . 19126 1
658 . 1 1 79 79 PHE H H 1 8.302 0.005 . 1 . . . A 293 PHE H . 19126 1
659 . 1 1 79 79 PHE HA H 1 4.442 0.000 . 1 . . . A 293 PHE HA . 19126 1
660 . 1 1 79 79 PHE HB2 H 1 2.886 0.000 . 2 . . . A 293 PHE HB2 . 19126 1
661 . 1 1 79 79 PHE HB3 H 1 2.886 0.000 . 2 . . . A 293 PHE HB3 . 19126 1
662 . 1 1 79 79 PHE HE1 H 1 7.212 0.000 . 3 . . . A 293 PHE HE1 . 19126 1
663 . 1 1 79 79 PHE HE2 H 1 7.212 0.000 . 3 . . . A 293 PHE HE2 . 19126 1
664 . 1 1 79 79 PHE CB C 13 39.154 0.000 . 1 . . . A 293 PHE CB . 19126 1
665 . 1 1 79 79 PHE N N 15 119.694 0.069 . 1 . . . A 293 PHE N . 19126 1
666 . 1 1 80 80 VAL H H 1 7.644 0.007 . 1 . . . A 294 VAL H . 19126 1
667 . 1 1 80 80 VAL N N 15 116.903 0.200 . 1 . . . A 294 VAL N . 19126 1
668 . 1 1 81 81 PHE H H 1 8.197 0.000 . 1 . . . A 295 PHE H . 19126 1
669 . 1 1 81 81 PHE HA H 1 3.210 0.000 . 1 . . . A 295 PHE HA . 19126 1
670 . 1 1 81 81 PHE HB2 H 1 3.255 0.024 . 2 . . . A 295 PHE HB2 . 19126 1
671 . 1 1 81 81 PHE HB3 H 1 3.255 0.024 . 2 . . . A 295 PHE HB3 . 19126 1
672 . 1 1 81 81 PHE CA C 13 55.332 0.000 . 1 . . . A 295 PHE CA . 19126 1
673 . 1 1 81 81 PHE CB C 13 35.932 0.333 . 1 . . . A 295 PHE CB . 19126 1
674 . 1 1 81 81 PHE N N 15 117.210 0.000 . 1 . . . A 295 PHE N . 19126 1
675 . 1 1 82 82 SER H H 1 8.405 0.000 . 1 . . . A 296 SER H . 19126 1
676 . 1 1 82 82 SER HB2 H 1 3.886 0.000 . 2 . . . A 296 SER HB2 . 19126 1
677 . 1 1 82 82 SER HB3 H 1 3.886 0.000 . 2 . . . A 296 SER HB3 . 19126 1
678 . 1 1 82 82 SER CA C 13 58.263 0.000 . 1 . . . A 296 SER CA . 19126 1
679 . 1 1 82 82 SER CB C 13 64.048 0.000 . 1 . . . A 296 SER CB . 19126 1
680 . 1 1 82 82 SER N N 15 115.617 0.000 . 1 . . . A 296 SER N . 19126 1
681 . 1 1 83 83 ALA H H 1 8.279 0.004 . 1 . . . A 297 ALA H . 19126 1
682 . 1 1 83 83 ALA HA H 1 3.996 0.000 . 1 . . . A 297 ALA HA . 19126 1
683 . 1 1 83 83 ALA CA C 13 54.614 0.000 . 1 . . . A 297 ALA CA . 19126 1
684 . 1 1 83 83 ALA CB C 13 16.580 0.000 . 1 . . . A 297 ALA CB . 19126 1
685 . 1 1 83 83 ALA N N 15 122.102 0.118 . 1 . . . A 297 ALA N . 19126 1
686 . 1 1 84 84 LEU H H 1 7.851 0.004 . 1 . . . A 298 LEU H . 19126 1
687 . 1 1 84 84 LEU HA H 1 4.202 0.000 . 1 . . . A 298 LEU HA . 19126 1
688 . 1 1 84 84 LEU HB2 H 1 1.790 0.000 . 2 . . . A 298 LEU HB2 . 19126 1
689 . 1 1 84 84 LEU HB3 H 1 1.790 0.000 . 2 . . . A 298 LEU HB3 . 19126 1
690 . 1 1 84 84 LEU HD11 H 1 0.969 0.000 . 2 . . . A 298 LEU HD11 . 19126 1
691 . 1 1 84 84 LEU HD12 H 1 0.969 0.000 . 2 . . . A 298 LEU HD12 . 19126 1
692 . 1 1 84 84 LEU HD13 H 1 0.969 0.000 . 2 . . . A 298 LEU HD13 . 19126 1
693 . 1 1 84 84 LEU HD21 H 1 0.969 0.000 . 2 . . . A 298 LEU HD21 . 19126 1
694 . 1 1 84 84 LEU HD22 H 1 0.969 0.000 . 2 . . . A 298 LEU HD22 . 19126 1
695 . 1 1 84 84 LEU HD23 H 1 0.969 0.000 . 2 . . . A 298 LEU HD23 . 19126 1
696 . 1 1 84 84 LEU CA C 13 54.066 0.000 . 1 . . . A 298 LEU CA . 19126 1
697 . 1 1 84 84 LEU CB C 13 41.582 0.000 . 1 . . . A 298 LEU CB . 19126 1
698 . 1 1 84 84 LEU N N 15 120.966 0.066 . 1 . . . A 298 LEU N . 19126 1
699 . 1 1 85 85 LEU H H 1 8.176 0.008 . 1 . . . A 299 LEU H . 19126 1
700 . 1 1 85 85 LEU HA H 1 4.029 0.000 . 1 . . . A 299 LEU HA . 19126 1
701 . 1 1 85 85 LEU HB2 H 1 1.891 0.000 . 2 . . . A 299 LEU HB2 . 19126 1
702 . 1 1 85 85 LEU HB3 H 1 1.891 0.000 . 2 . . . A 299 LEU HB3 . 19126 1
703 . 1 1 85 85 LEU HD11 H 1 0.866 0.000 . 2 . . . A 299 LEU HD11 . 19126 1
704 . 1 1 85 85 LEU HD12 H 1 0.866 0.000 . 2 . . . A 299 LEU HD12 . 19126 1
705 . 1 1 85 85 LEU HD13 H 1 0.866 0.000 . 2 . . . A 299 LEU HD13 . 19126 1
706 . 1 1 85 85 LEU HD21 H 1 0.919 0.000 . 2 . . . A 299 LEU HD21 . 19126 1
707 . 1 1 85 85 LEU HD22 H 1 0.919 0.000 . 2 . . . A 299 LEU HD22 . 19126 1
708 . 1 1 85 85 LEU HD23 H 1 0.919 0.000 . 2 . . . A 299 LEU HD23 . 19126 1
709 . 1 1 85 85 LEU N N 15 119.105 0.012 . 1 . . . A 299 LEU N . 19126 1
710 . 1 1 86 86 GLU H H 1 7.992 0.005 . 1 . . . A 300 GLU H . 19126 1
711 . 1 1 86 86 GLU HA H 1 4.233 0.000 . 1 . . . A 300 GLU HA . 19126 1
712 . 1 1 86 86 GLU HB2 H 1 2.152 0.027 . 2 . . . A 300 GLU HB2 . 19126 1
713 . 1 1 86 86 GLU HB3 H 1 2.152 0.027 . 2 . . . A 300 GLU HB3 . 19126 1
714 . 1 1 86 86 GLU CA C 13 57.204 0.000 . 1 . . . A 300 GLU CA . 19126 1
715 . 1 1 86 86 GLU CB C 13 28.883 0.349 . 1 . . . A 300 GLU CB . 19126 1
716 . 1 1 86 86 GLU N N 15 118.513 0.034 . 1 . . . A 300 GLU N . 19126 1
717 . 1 1 87 87 TYR H H 1 8.105 0.000 . 1 . . . A 301 TYR H . 19126 1
718 . 1 1 87 87 TYR HA H 1 4.313 0.000 . 1 . . . A 301 TYR HA . 19126 1
719 . 1 1 87 87 TYR CA C 13 57.987 0.000 . 1 . . . A 301 TYR CA . 19126 1
720 . 1 1 87 87 TYR N N 15 119.370 0.000 . 1 . . . A 301 TYR N . 19126 1
721 . 1 1 88 88 ALA H H 1 8.069 0.006 . 1 . . . A 302 ALA H . 19126 1
722 . 1 1 88 88 ALA HA H 1 4.241 0.000 . 1 . . . A 302 ALA HA . 19126 1
723 . 1 1 88 88 ALA HB1 H 1 1.423 0.001 . 1 . . . A 302 ALA HB1 . 19126 1
724 . 1 1 88 88 ALA HB2 H 1 1.423 0.001 . 1 . . . A 302 ALA HB2 . 19126 1
725 . 1 1 88 88 ALA HB3 H 1 1.423 0.001 . 1 . . . A 302 ALA HB3 . 19126 1
726 . 1 1 88 88 ALA CA C 13 53.358 0.000 . 1 . . . A 302 ALA CA . 19126 1
727 . 1 1 88 88 ALA CB C 13 19.058 0.083 . 1 . . . A 302 ALA CB . 19126 1
728 . 1 1 88 88 ALA N N 15 122.939 0.078 . 1 . . . A 302 ALA N . 19126 1
729 . 1 1 89 89 ALA H H 1 7.977 0.105 . 1 . . . A 303 ALA H . 19126 1
730 . 1 1 89 89 ALA HA H 1 4.34 0.000 . 1 . . . A 303 ALA HA . 19126 1
731 . 1 1 89 89 ALA HB1 H 1 1.389 0.000 . 1 . . . A 303 ALA HB1 . 19126 1
732 . 1 1 89 89 ALA HB2 H 1 1.389 0.000 . 1 . . . A 303 ALA HB2 . 19126 1
733 . 1 1 89 89 ALA HB3 H 1 1.389 0.000 . 1 . . . A 303 ALA HB3 . 19126 1
734 . 1 1 89 89 ALA CA C 13 55.572 0.000 . 1 . . . A 303 ALA CA . 19126 1
735 . 1 1 89 89 ALA CB C 13 19.446 0.000 . 1 . . . A 303 ALA CB . 19126 1
736 . 1 1 89 89 ALA N N 15 121.785 0.831 . 1 . . . A 303 ALA N . 19126 1
737 . 1 1 90 90 VAL H H 1 7.889 0.000 . 1 . . . A 304 VAL H . 19126 1
738 . 1 1 90 90 VAL HA H 1 4.207 0.000 . 1 . . . A 304 VAL HA . 19126 1
739 . 1 1 90 90 VAL HB H 1 1.883 0.000 . 1 . . . A 304 VAL HB . 19126 1
740 . 1 1 90 90 VAL HG11 H 1 0.981 0.000 . 2 . . . A 304 VAL HG11 . 19126 1
741 . 1 1 90 90 VAL HG12 H 1 0.981 0.000 . 2 . . . A 304 VAL HG12 . 19126 1
742 . 1 1 90 90 VAL HG13 H 1 0.981 0.000 . 2 . . . A 304 VAL HG13 . 19126 1
743 . 1 1 90 90 VAL HG21 H 1 0.981 0.000 . 2 . . . A 304 VAL HG21 . 19126 1
744 . 1 1 90 90 VAL HG22 H 1 0.981 0.000 . 2 . . . A 304 VAL HG22 . 19126 1
745 . 1 1 90 90 VAL HG23 H 1 0.981 0.000 . 2 . . . A 304 VAL HG23 . 19126 1
746 . 1 1 90 90 VAL N N 15 117.994 0.000 . 1 . . . A 304 VAL N . 19126 1
747 . 1 1 91 91 ASN H H 1 8.232 0.004 . 1 . . . A 305 ASN H . 19126 1
748 . 1 1 91 91 ASN HA H 1 4.236 0.000 . 1 . . . A 305 ASN HA . 19126 1
749 . 1 1 91 91 ASN HB2 H 1 2.345 0.000 . 2 . . . A 305 ASN HB2 . 19126 1
750 . 1 1 91 91 ASN HB3 H 1 2.345 0.000 . 2 . . . A 305 ASN HB3 . 19126 1
751 . 1 1 91 91 ASN HD21 H 1 6.856 0.000 . 2 . . . A 305 ASN HD21 . 19126 1
752 . 1 1 91 91 ASN HD22 H 1 7.569 0.003 . 2 . . . A 305 ASN HD22 . 19126 1
753 . 1 1 91 91 ASN CA C 13 53.620 0.000 . 1 . . . A 305 ASN CA . 19126 1
754 . 1 1 91 91 ASN CB C 13 39.530 0.000 . 1 . . . A 305 ASN CB . 19126 1
755 . 1 1 91 91 ASN N N 15 119.445 0.019 . 1 . . . A 305 ASN N . 19126 1
756 . 1 1 91 91 ASN ND2 N 15 112.336 0.134 . 1 . . . A 305 ASN ND2 . 19126 1
757 . 1 1 92 92 PHE H H 1 8.081 0.000 . 1 . . . A 306 PHE H . 19126 1
758 . 1 1 92 92 PHE HA H 1 4.161 0.000 . 1 . . . A 306 PHE HA . 19126 1
759 . 1 1 92 92 PHE CA C 13 56.316 0.000 . 1 . . . A 306 PHE CA . 19126 1
760 . 1 1 92 92 PHE CB C 13 38.932 0.000 . 1 . . . A 306 PHE CB . 19126 1
761 . 1 1 92 92 PHE N N 15 120.025 0.000 . 1 . . . A 306 PHE N . 19126 1
762 . 1 1 93 93 VAL H H 1 7.919 0.000 . 1 . . . A 307 VAL H . 19126 1
763 . 1 1 93 93 VAL HA H 1 4.257 0.000 . 1 . . . A 307 VAL HA . 19126 1
764 . 1 1 93 93 VAL CA C 13 64.458 0.000 . 1 . . . A 307 VAL CA . 19126 1
765 . 1 1 93 93 VAL CB C 13 32.181 0.000 . 1 . . . A 307 VAL CB . 19126 1
766 . 1 1 93 93 VAL N N 15 117.925 0.000 . 1 . . . A 307 VAL N . 19126 1
767 . 1 1 94 94 SER H H 1 7.811 0.010 . 1 . . . A 308 SER H . 19126 1
768 . 1 1 94 94 SER HA H 1 4.339 0.000 . 1 . . . A 308 SER HA . 19126 1
769 . 1 1 94 94 SER HB2 H 1 3.805 0.000 . 2 . . . A 308 SER HB2 . 19126 1
770 . 1 1 94 94 SER HB3 H 1 3.805 0.000 . 2 . . . A 308 SER HB3 . 19126 1
771 . 1 1 94 94 SER CA C 13 58.727 0.000 . 1 . . . A 308 SER CA . 19126 1
772 . 1 1 94 94 SER CB C 13 63.974 0.000 . 1 . . . A 308 SER CB . 19126 1
773 . 1 1 94 94 SER N N 15 117.306 0.108 . 1 . . . A 308 SER N . 19126 1
774 . 1 1 95 95 ARG H H 1 8.189 0.000 . 1 . . . A 309 ARG H . 19126 1
775 . 1 1 95 95 ARG CA C 13 55.923 0.000 . 1 . . . A 309 ARG CA . 19126 1
776 . 1 1 95 95 ARG CB C 13 31.028 0.000 . 1 . . . A 309 ARG CB . 19126 1
777 . 1 1 95 95 ARG N N 15 122.708 0.008 . 1 . . . A 309 ARG N . 19126 1
778 . 1 1 96 96 GLN H H 1 8.318 0.003 . 1 . . . A 310 GLN H . 19126 1
779 . 1 1 96 96 GLN HE21 H 1 7.430 0.003 . 9 . . . A 310 GLN HE21 . 19126 1
780 . 1 1 96 96 GLN HE22 H 1 7.430 0.003 . 9 . . . A 310 GLN HE22 . 19126 1
781 . 1 1 96 96 GLN CA C 13 55.880 0.000 . 1 . . . A 310 GLN CA . 19126 1
782 . 1 1 96 96 GLN CB C 13 29.072 0.000 . 1 . . . A 310 GLN CB . 19126 1
783 . 1 1 96 96 GLN CG C 13 33.461 0.000 . 1 . . . A 310 GLN CG . 19126 1
784 . 1 1 96 96 GLN N N 15 120.667 0.102 . 1 . . . A 310 GLN N . 19126 1
785 . 1 1 96 96 GLN NE2 N 15 111.269 0.145 . 1 . . . A 310 GLN NE2 . 19126 1
786 . 1 1 97 97 ARG H H 1 7.964 0.002 . 1 . . . A 311 ARG H . 19126 1
787 . 1 1 97 97 ARG HA H 1 3.946 0.000 . 1 . . . A 311 ARG HA . 19126 1
788 . 1 1 97 97 ARG HB2 H 1 1.901 0.014 . 2 . . . A 311 ARG HB2 . 19126 1
789 . 1 1 97 97 ARG HB3 H 1 1.901 0.014 . 2 . . . A 311 ARG HB3 . 19126 1
790 . 1 1 97 97 ARG HG2 H 1 1.696 0.000 . 2 . . . A 311 ARG HG2 . 19126 1
791 . 1 1 97 97 ARG HG3 H 1 1.696 0.000 . 2 . . . A 311 ARG HG3 . 19126 1
792 . 1 1 97 97 ARG CA C 13 56.860 0.000 . 1 . . . A 311 ARG CA . 19126 1
793 . 1 1 97 97 ARG CB C 13 32.963 0.000 . 1 . . . A 311 ARG CB . 19126 1
794 . 1 1 97 97 ARG N N 15 120.231 0.033 . 1 . . . A 311 ARG N . 19126 1
795 . 1 1 98 98 GLU H H 1 8.657 0.004 . 1 . . . A 312 GLU H . 19126 1
796 . 1 1 98 98 GLU HA H 1 4.660 0.000 . 1 . . . A 312 GLU HA . 19126 1
797 . 1 1 98 98 GLU CA C 13 58.039 0.000 . 1 . . . A 312 GLU CA . 19126 1
798 . 1 1 98 98 GLU N N 15 121.301 0.059 . 1 . . . A 312 GLU N . 19126 1
799 . 1 1 99 99 PHE H H 1 8.010 0.002 . 1 . . . A 313 PHE H . 19126 1
800 . 1 1 99 99 PHE HA H 1 4.224 0.005 . 1 . . . A 313 PHE HA . 19126 1
801 . 1 1 99 99 PHE HB2 H 1 3.223 0.000 . 2 . . . A 313 PHE HB2 . 19126 1
802 . 1 1 99 99 PHE HB3 H 1 3.223 0.000 . 2 . . . A 313 PHE HB3 . 19126 1
803 . 1 1 99 99 PHE CA C 13 57.76 9.069 . 1 . . . A 313 PHE CA . 19126 1
804 . 1 1 99 99 PHE CB C 13 39.520 0.000 . 1 . . . A 313 PHE CB . 19126 1
805 . 1 1 99 99 PHE N N 15 118.725 0.074 . 1 . . . A 313 PHE N . 19126 1
806 . 1 1 100 100 GLY H H 1 8.105 0.002 . 1 . . . A 314 GLY H . 19126 1
807 . 1 1 100 100 GLY HA2 H 1 4.005 0.000 . 2 . . . A 314 GLY HA2 . 19126 1
808 . 1 1 100 100 GLY HA3 H 1 4.005 0.000 . 2 . . . A 314 GLY HA3 . 19126 1
809 . 1 1 100 100 GLY C C 13 176.045 0.000 . 1 . . . A 314 GLY C . 19126 1
810 . 1 1 100 100 GLY CA C 13 45.769 0.000 . 1 . . . A 314 GLY CA . 19126 1
811 . 1 1 100 100 GLY N N 15 108.851 0.031 . 1 . . . A 314 GLY N . 19126 1
812 . 1 1 101 101 GLY H H 1 8.427 0.008 . 1 . . . A 315 GLY H . 19126 1
813 . 1 1 101 101 GLY HA2 H 1 3.987 0.000 . 2 . . . A 315 GLY HA2 . 19126 1
814 . 1 1 101 101 GLY HA3 H 1 3.987 0.000 . 2 . . . A 315 GLY HA3 . 19126 1
815 . 1 1 101 101 GLY CA C 13 46.201 0.000 . 1 . . . A 315 GLY CA . 19126 1
816 . 1 1 101 101 GLY N N 15 108.397 0.021 . 1 . . . A 315 GLY N . 19126 1
817 . 1 1 102 102 GLY H H 1 8.163 0.000 . 1 . . . A 316 GLY H . 19126 1
818 . 1 1 102 102 GLY HA2 H 1 3.982 0.000 . 2 . . . A 316 GLY HA2 . 19126 1
819 . 1 1 102 102 GLY HA3 H 1 3.982 0.000 . 2 . . . A 316 GLY HA3 . 19126 1
820 . 1 1 102 102 GLY CA C 13 45.878 0.000 . 1 . . . A 316 GLY CA . 19126 1
821 . 1 1 102 102 GLY N N 15 108.034 0.000 . 1 . . . A 316 GLY N . 19126 1
822 . 1 1 103 103 GLY H H 1 8.483 0.000 . 1 . . . A 317 GLY H . 19126 1
823 . 1 1 103 103 GLY HA2 H 1 4.006 0.000 . 2 . . . A 317 GLY HA2 . 19126 1
824 . 1 1 103 103 GLY HA3 H 1 4.006 0.000 . 2 . . . A 317 GLY HA3 . 19126 1
825 . 1 1 103 103 GLY CA C 13 46.344 0.000 . 1 . . . A 317 GLY CA . 19126 1
826 . 1 1 103 103 GLY N N 15 109.266 0.000 . 1 . . . A 317 GLY N . 19126 1
827 . 1 1 104 104 PHE H H 1 7.874 0.007 . 1 . . . A 318 PHE H . 19126 1
828 . 1 1 104 104 PHE HA H 1 4.118 0.000 . 1 . . . A 318 PHE HA . 19126 1
829 . 1 1 104 104 PHE HB2 H 1 2.900 0.000 . 2 . . . A 318 PHE HB2 . 19126 1
830 . 1 1 104 104 PHE HB3 H 1 2.900 0.000 . 2 . . . A 318 PHE HB3 . 19126 1
831 . 1 1 104 104 PHE HE1 H 1 7.112 0.000 . 3 . . . A 318 PHE HE1 . 19126 1
832 . 1 1 104 104 PHE HE2 H 1 7.112 0.000 . 3 . . . A 318 PHE HE2 . 19126 1
833 . 1 1 104 104 PHE CA C 13 57.919 0.278 . 1 . . . A 318 PHE CA . 19126 1
834 . 1 1 104 104 PHE CB C 13 39.186 0.043 . 1 . . . A 318 PHE CB . 19126 1
835 . 1 1 104 104 PHE N N 15 119.170 0.133 . 1 . . . A 318 PHE N . 19126 1
836 . 1 1 105 105 ILE H H 1 7.932 0.000 . 1 . . . A 389 ILE H . 19126 1
837 . 1 1 105 105 ILE HA H 1 3.721 0.000 . 1 . . . A 389 ILE HA . 19126 1
838 . 1 1 105 105 ILE HB H 1 1.724 0.000 . 1 . . . A 389 ILE HB . 19126 1
839 . 1 1 105 105 ILE HG21 H 1 0.948 0.000 . 1 . . . A 389 ILE HG21 . 19126 1
840 . 1 1 105 105 ILE HG22 H 1 0.948 0.000 . 1 . . . A 389 ILE HG22 . 19126 1
841 . 1 1 105 105 ILE HG23 H 1 0.948 0.000 . 1 . . . A 389 ILE HG23 . 19126 1
842 . 1 1 105 105 ILE HD11 H 1 0.956 0.000 . 1 . . . A 389 ILE HD11 . 19126 1
843 . 1 1 105 105 ILE HD12 H 1 0.956 0.000 . 1 . . . A 389 ILE HD12 . 19126 1
844 . 1 1 105 105 ILE HD13 H 1 0.956 0.000 . 1 . . . A 389 ILE HD13 . 19126 1
845 . 1 1 105 105 ILE CA C 13 61.761 0.000 . 1 . . . A 389 ILE CA . 19126 1
846 . 1 1 105 105 ILE CB C 13 39.495 0.000 . 1 . . . A 389 ILE CB . 19126 1
847 . 1 1 105 105 ILE N N 15 120.510 0.000 . 1 . . . A 389 ILE N . 19126 1
848 . 1 1 106 106 GLN H H 1 8.394 0.014 . 1 . . . A 390 GLN H . 19126 1
849 . 1 1 106 106 GLN HA H 1 4.525 0.000 . 1 . . . A 390 GLN HA . 19126 1
850 . 1 1 106 106 GLN HE21 H 1 7.596 0.000 . 2 . . . A 390 GLN HE21 . 19126 1
851 . 1 1 106 106 GLN CA C 13 55.714 0.000 . 1 . . . A 390 GLN CA . 19126 1
852 . 1 1 106 106 GLN CB C 13 29.455 0.000 . 1 . . . A 390 GLN CB . 19126 1
853 . 1 1 106 106 GLN N N 15 120.609 0.296 . 1 . . . A 390 GLN N . 19126 1
854 . 1 1 106 106 GLN NE2 N 15 112.293 0.000 . 1 . . . A 390 GLN NE2 . 19126 1
855 . 1 1 107 107 ARG H H 1 8.230 0.000 . 1 . . . A 391 ARG H . 19126 1
856 . 1 1 107 107 ARG HA H 1 4.308 0.000 . 1 . . . A 391 ARG HA . 19126 1
857 . 1 1 107 107 ARG HD2 H 1 3.195 0.000 . 2 . . . A 391 ARG HD2 . 19126 1
858 . 1 1 107 107 ARG HD3 H 1 3.195 0.000 . 2 . . . A 391 ARG HD3 . 19126 1
859 . 1 1 107 107 ARG CA C 13 56.399 0.000 . 1 . . . A 391 ARG CA . 19126 1
860 . 1 1 107 107 ARG CB C 13 31.164 0.000 . 1 . . . A 391 ARG CB . 19126 1
861 . 1 1 107 107 ARG CD C 13 43.741 0.000 . 1 . . . A 391 ARG CD . 19126 1
862 . 1 1 107 107 ARG N N 15 116.488 0.000 . 1 . . . A 391 ARG N . 19126 1
863 . 1 1 108 108 ALA H H 1 8.203 0.000 . 1 . . . A 392 ALA H . 19126 1
864 . 1 1 108 108 ALA HA H 1 4.621 0.000 . 1 . . . A 392 ALA HA . 19126 1
865 . 1 1 108 108 ALA CA C 13 52.674 0.000 . 1 . . . A 392 ALA CA . 19126 1
866 . 1 1 108 108 ALA CB C 13 19.379 0.027 . 1 . . . A 392 ALA CB . 19126 1
867 . 1 1 108 108 ALA N N 15 124.069 0.004 . 1 . . . A 392 ALA N . 19126 1
868 . 1 1 109 109 LYS H H 1 7.701 0.003 . 1 . . . A 393 LYS H . 19126 1
869 . 1 1 109 109 LYS HB2 H 1 1.909 0.000 . 2 . . . A 393 LYS HB2 . 19126 1
870 . 1 1 109 109 LYS HB3 H 1 1.909 0.000 . 2 . . . A 393 LYS HB3 . 19126 1
871 . 1 1 109 109 LYS HD2 H 1 1.700 0.000 . 2 . . . A 393 LYS HD2 . 19126 1
872 . 1 1 109 109 LYS HD3 H 1 1.700 0.000 . 2 . . . A 393 LYS HD3 . 19126 1
873 . 1 1 109 109 LYS CA C 13 57.267 0.000 . 1 . . . A 393 LYS CA . 19126 1
874 . 1 1 109 109 LYS CB C 13 32.102 0.000 . 1 . . . A 393 LYS CB . 19126 1
875 . 1 1 109 109 LYS N N 15 118.424 0.122 . 1 . . . A 393 LYS N . 19126 1
876 . 1 1 110 110 LYS H H 1 7.774 0.009 . 1 . . . A 394 LYS H . 19126 1
877 . 1 1 110 110 LYS HA H 1 4.349 0.000 . 1 . . . A 394 LYS HA . 19126 1
878 . 1 1 110 110 LYS HE2 H 1 2.888 0.000 . 2 . . . A 394 LYS HE2 . 19126 1
879 . 1 1 110 110 LYS HE3 H 1 2.888 0.000 . 2 . . . A 394 LYS HE3 . 19126 1
880 . 1 1 110 110 LYS N N 15 118.641 0.201 . 1 . . . A 394 LYS N . 19126 1
881 . 1 1 111 111 ILE H H 1 7.872 0.009 . 1 . . . A 395 ILE H . 19126 1
882 . 1 1 111 111 ILE CA C 13 59.312 0.000 . 1 . . . A 395 ILE CA . 19126 1
883 . 1 1 111 111 ILE N N 15 121.121 0.029 . 1 . . . A 395 ILE N . 19126 1
884 . 1 1 112 112 ASP H H 1 8.363 0.000 . 1 . . . A 396 ASP H . 19126 1
885 . 1 1 112 112 ASP HA H 1 4.623 0.014 . 1 . . . A 396 ASP HA . 19126 1
886 . 1 1 112 112 ASP CA C 13 53.854 0.000 . 1 . . . A 396 ASP CA . 19126 1
887 . 1 1 112 112 ASP N N 15 119.987 0.000 . 1 . . . A 396 ASP N . 19126 1
888 . 1 1 113 113 LYS H H 1 7.678 0.001 . 1 . . . A 397 LYS H . 19126 1
889 . 1 1 113 113 LYS HA H 1 4.289 0.000 . 1 . . . A 397 LYS HA . 19126 1
890 . 1 1 113 113 LYS N N 15 120.008 0.003 . 1 . . . A 397 LYS N . 19126 1
891 . 1 1 114 114 ILE H H 1 7.897 0.007 . 1 . . . A 398 ILE H . 19126 1
892 . 1 1 114 114 ILE HA H 1 3.959 0.000 . 1 . . . A 398 ILE HA . 19126 1
893 . 1 1 114 114 ILE HB H 1 1.812 0.000 . 1 . . . A 398 ILE HB . 19126 1
894 . 1 1 114 114 ILE HG12 H 1 1.213 0.000 . 2 . . . A 398 ILE HG12 . 19126 1
895 . 1 1 114 114 ILE HG13 H 1 1.213 0.000 . 2 . . . A 398 ILE HG13 . 19126 1
896 . 1 1 114 114 ILE CA C 13 66.227 0.000 . 1 . . . A 398 ILE CA . 19126 1
897 . 1 1 114 114 ILE CB C 13 39.347 0.000 . 1 . . . A 398 ILE CB . 19126 1
898 . 1 1 114 114 ILE CG1 C 13 27.457 0.000 . 1 . . . A 398 ILE CG1 . 19126 1
899 . 1 1 114 114 ILE N N 15 119.994 0.035 . 1 . . . A 398 ILE N . 19126 1
900 . 1 1 115 115 SER H H 1 8.016 0.003 . 1 . . . A 399 SER H . 19126 1
901 . 1 1 115 115 SER CA C 13 58.749 0.000 . 1 . . . A 399 SER CA . 19126 1
902 . 1 1 115 115 SER CB C 13 64.125 0.000 . 1 . . . A 399 SER CB . 19126 1
903 . 1 1 115 115 SER N N 15 114.277 0.030 . 1 . . . A 399 SER N . 19126 1
904 . 1 1 116 116 ARG H H 1 8.172 0.016 . 1 . . . A 400 ARG H . 19126 1
905 . 1 1 116 116 ARG N N 15 122.314 0.081 . 1 . . . A 400 ARG N . 19126 1
906 . 1 1 117 117 ILE H H 1 8.041 0.011 . 1 . . . A 401 ILE H . 19126 1
907 . 1 1 117 117 ILE HG12 H 1 1.200 0.000 . 2 . . . A 401 ILE HG12 . 19126 1
908 . 1 1 117 117 ILE HG13 H 1 1.200 0.000 . 2 . . . A 401 ILE HG13 . 19126 1
909 . 1 1 117 117 ILE CA C 13 63.286 0.000 . 1 . . . A 401 ILE CA . 19126 1
910 . 1 1 117 117 ILE CB C 13 38.592 0.000 . 1 . . . A 401 ILE CB . 19126 1
911 . 1 1 117 117 ILE CG1 C 13 27.597 0.000 . 1 . . . A 401 ILE CG1 . 19126 1
912 . 1 1 117 117 ILE N N 15 120.502 0.173 . 1 . . . A 401 ILE N . 19126 1
913 . 1 1 118 118 GLY H H 1 8.479 0.013 . 1 . . . A 402 GLY H . 19126 1
914 . 1 1 118 118 GLY CA C 13 46.008 0.000 . 1 . . . A 402 GLY CA . 19126 1
915 . 1 1 118 118 GLY N N 15 111.996 0.175 . 1 . . . A 402 GLY N . 19126 1
916 . 1 1 119 119 PHE H H 1 7.891 0.002 . 1 . . . A 403 PHE H . 19126 1
917 . 1 1 119 119 PHE HA H 1 4.532 0.036 . 1 . . . A 403 PHE HA . 19126 1
918 . 1 1 119 119 PHE HB2 H 1 3.042 0.000 . 2 . . . A 403 PHE HB2 . 19126 1
919 . 1 1 119 119 PHE HB3 H 1 3.042 0.000 . 2 . . . A 403 PHE HB3 . 19126 1
920 . 1 1 119 119 PHE HD1 H 1 6.130 0.000 . 3 . . . A 403 PHE HD1 . 19126 1
921 . 1 1 119 119 PHE HD2 H 1 6.130 0.000 . 3 . . . A 403 PHE HD2 . 19126 1
922 . 1 1 119 119 PHE HE1 H 1 6.130 0.000 . 3 . . . A 403 PHE HE1 . 19126 1
923 . 1 1 119 119 PHE HE2 H 1 6.130 0.000 . 3 . . . A 403 PHE HE2 . 19126 1
924 . 1 1 119 119 PHE HZ H 1 6.130 0.000 . 1 . . . A 403 PHE HZ . 19126 1
925 . 1 1 119 119 PHE CA C 13 58.221 0.000 . 1 . . . A 403 PHE CA . 19126 1
926 . 1 1 119 119 PHE CB C 13 39.077 0.000 . 1 . . . A 403 PHE CB . 19126 1
927 . 1 1 119 119 PHE N N 15 119.711 0.151 . 1 . . . A 403 PHE N . 19126 1
928 . 1 1 121 121 LEU H H 1 8.061 0.004 . 1 . . . A 405 LEU H . 19126 1
929 . 1 1 121 121 LEU HA H 1 4.050 0.000 . 1 . . . A 405 LEU HA . 19126 1
930 . 1 1 121 121 LEU HB2 H 1 1.754 0.000 . 2 . . . A 405 LEU HB2 . 19126 1
931 . 1 1 121 121 LEU HB3 H 1 1.754 0.000 . 2 . . . A 405 LEU HB3 . 19126 1
932 . 1 1 121 121 LEU HD11 H 1 0.900 0.000 . 2 . . . A 405 LEU HD11 . 19126 1
933 . 1 1 121 121 LEU HD12 H 1 0.900 0.000 . 2 . . . A 405 LEU HD12 . 19126 1
934 . 1 1 121 121 LEU HD13 H 1 0.900 0.000 . 2 . . . A 405 LEU HD13 . 19126 1
935 . 1 1 121 121 LEU HD21 H 1 0.900 0.000 . 2 . . . A 405 LEU HD21 . 19126 1
936 . 1 1 121 121 LEU HD22 H 1 0.900 0.000 . 2 . . . A 405 LEU HD22 . 19126 1
937 . 1 1 121 121 LEU HD23 H 1 0.900 0.000 . 2 . . . A 405 LEU HD23 . 19126 1
938 . 1 1 121 121 LEU CA C 13 56.205 0.000 . 1 . . . A 405 LEU CA . 19126 1
939 . 1 1 121 121 LEU N N 15 119.448 0.004 . 1 . . . A 405 LEU N . 19126 1
940 . 1 1 122 122 ALA H H 1 7.888 0.000 . 1 . . . A 406 ALA H . 19126 1
941 . 1 1 122 122 ALA HA H 1 4.364 0.000 . 1 . . . A 406 ALA HA . 19126 1
942 . 1 1 122 122 ALA HB1 H 1 1.282 0.000 . 1 . . . A 406 ALA HB1 . 19126 1
943 . 1 1 122 122 ALA HB2 H 1 1.282 0.000 . 1 . . . A 406 ALA HB2 . 19126 1
944 . 1 1 122 122 ALA HB3 H 1 1.282 0.000 . 1 . . . A 406 ALA HB3 . 19126 1
945 . 1 1 122 122 ALA CA C 13 56.822 0.000 . 1 . . . A 406 ALA CA . 19126 1
946 . 1 1 122 122 ALA CB C 13 19.897 0.000 . 1 . . . A 406 ALA CB . 19126 1
947 . 1 1 122 122 ALA N N 15 121.034 0.000 . 1 . . . A 406 ALA N . 19126 1
948 . 1 1 123 123 PHE H H 1 7.896 0.005 . 1 . . . A 407 PHE H . 19126 1
949 . 1 1 123 123 PHE HA H 1 4.260 0.000 . 1 . . . A 407 PHE HA . 19126 1
950 . 1 1 123 123 PHE HB2 H 1 3.132 0.000 . 2 . . . A 407 PHE HB2 . 19126 1
951 . 1 1 123 123 PHE HB3 H 1 3.132 0.000 . 2 . . . A 407 PHE HB3 . 19126 1
952 . 1 1 123 123 PHE CA C 13 56.318 0.000 . 1 . . . A 407 PHE CA . 19126 1
953 . 1 1 123 123 PHE CB C 13 38.850 0.000 . 1 . . . A 407 PHE CB . 19126 1
954 . 1 1 123 123 PHE N N 15 117.875 0.064 . 1 . . . A 407 PHE N . 19126 1
955 . 1 1 124 124 LEU H H 1 8.023 0.000 . 1 . . . A 408 LEU H . 19126 1
956 . 1 1 124 124 LEU HA H 1 4.166 0.000 . 1 . . . A 408 LEU HA . 19126 1
957 . 1 1 124 124 LEU HB2 H 1 1.759 0.000 . 2 . . . A 408 LEU HB2 . 19126 1
958 . 1 1 124 124 LEU HB3 H 1 1.759 0.000 . 2 . . . A 408 LEU HB3 . 19126 1
959 . 1 1 124 124 LEU HG H 1 1.525 0.000 . 1 . . . A 408 LEU HG . 19126 1
960 . 1 1 124 124 LEU HD11 H 1 0.987 0.000 . 2 . . . A 408 LEU HD11 . 19126 1
961 . 1 1 124 124 LEU HD12 H 1 0.987 0.000 . 2 . . . A 408 LEU HD12 . 19126 1
962 . 1 1 124 124 LEU HD13 H 1 0.987 0.000 . 2 . . . A 408 LEU HD13 . 19126 1
963 . 1 1 124 124 LEU HD21 H 1 0.987 0.000 . 2 . . . A 408 LEU HD21 . 19126 1
964 . 1 1 124 124 LEU HD22 H 1 0.987 0.000 . 2 . . . A 408 LEU HD22 . 19126 1
965 . 1 1 124 124 LEU HD23 H 1 0.987 0.000 . 2 . . . A 408 LEU HD23 . 19126 1
966 . 1 1 124 124 LEU N N 15 119.032 0.021 . 1 . . . A 408 LEU N . 19126 1
967 . 1 1 125 125 ILE H H 1 8.124 0.007 . 1 . . . A 409 ILE H . 19126 1
968 . 1 1 125 125 ILE HA H 1 4.072 0.000 . 1 . . . A 409 ILE HA . 19126 1
969 . 1 1 125 125 ILE HB H 1 1.837 0.000 . 1 . . . A 409 ILE HB . 19126 1
970 . 1 1 125 125 ILE HD11 H 1 0.975 0.000 . 1 . . . A 409 ILE HD11 . 19126 1
971 . 1 1 125 125 ILE HD12 H 1 0.975 0.000 . 1 . . . A 409 ILE HD12 . 19126 1
972 . 1 1 125 125 ILE HD13 H 1 0.975 0.000 . 1 . . . A 409 ILE HD13 . 19126 1
973 . 1 1 125 125 ILE CA C 13 62.456 0.000 . 1 . . . A 409 ILE CA . 19126 1
974 . 1 1 125 125 ILE CB C 13 39.090 0.000 . 1 . . . A 409 ILE CB . 19126 1
975 . 1 1 125 125 ILE N N 15 119.579 0.041 . 1 . . . A 409 ILE N . 19126 1
976 . 1 1 126 126 PHE H H 1 8.492 0.006 . 1 . . . A 410 PHE H . 19126 1
977 . 1 1 126 126 PHE CA C 13 58.048 0.052 . 1 . . . A 410 PHE CA . 19126 1
978 . 1 1 126 126 PHE CB C 13 39.196 0.000 . 1 . . . A 410 PHE CB . 19126 1
979 . 1 1 126 126 PHE N N 15 119.264 0.088 . 1 . . . A 410 PHE N . 19126 1
980 . 1 1 127 127 ASN H H 1 8.347 0.010 . 1 . . . A 411 ASN H . 19126 1
981 . 1 1 127 127 ASN HB2 H 1 2.862 0.000 . 2 . . . A 411 ASN HB2 . 19126 1
982 . 1 1 127 127 ASN HB3 H 1 2.862 0.000 . 2 . . . A 411 ASN HB3 . 19126 1
983 . 1 1 127 127 ASN HD21 H 1 6.857 0.000 . 2 . . . A 411 ASN HD21 . 19126 1
984 . 1 1 127 127 ASN HD22 H 1 7.604 0.007 . 2 . . . A 411 ASN HD22 . 19126 1
985 . 1 1 127 127 ASN CA C 13 52.984 0.000 . 1 . . . A 411 ASN CA . 19126 1
986 . 1 1 127 127 ASN CB C 13 38.695 0.000 . 1 . . . A 411 ASN CB . 19126 1
987 . 1 1 127 127 ASN N N 15 120.329 0.128 . 1 . . . A 411 ASN N . 19126 1
988 . 1 1 127 127 ASN ND2 N 15 112.375 0.060 . 1 . . . A 411 ASN ND2 . 19126 1
989 . 1 1 128 128 LEU H H 1 8.261 0.012 . 1 . . . A 412 LEU H . 19126 1
990 . 1 1 128 128 LEU HA H 1 4.399 0.000 . 1 . . . A 412 LEU HA . 19126 1
991 . 1 1 128 128 LEU HD11 H 1 1.116 0.000 . 2 . . . A 412 LEU HD11 . 19126 1
992 . 1 1 128 128 LEU HD12 H 1 1.116 0.000 . 2 . . . A 412 LEU HD12 . 19126 1
993 . 1 1 128 128 LEU HD13 H 1 1.116 0.000 . 2 . . . A 412 LEU HD13 . 19126 1
994 . 1 1 128 128 LEU HD21 H 1 1.116 0.000 . 2 . . . A 412 LEU HD21 . 19126 1
995 . 1 1 128 128 LEU HD22 H 1 1.116 0.000 . 2 . . . A 412 LEU HD22 . 19126 1
996 . 1 1 128 128 LEU HD23 H 1 1.116 0.000 . 2 . . . A 412 LEU HD23 . 19126 1
997 . 1 1 128 128 LEU CA C 13 58.448 0.000 . 1 . . . A 412 LEU CA . 19126 1
998 . 1 1 128 128 LEU CB C 13 43.231 0.000 . 1 . . . A 412 LEU CB . 19126 1
999 . 1 1 128 128 LEU CD1 C 13 22.710 0.000 . 2 . . . A 412 LEU CD1 . 19126 1
1000 . 1 1 128 128 LEU N N 15 119.718 0.162 . 1 . . . A 412 LEU N . 19126 1
1001 . 1 1 129 129 PHE H H 1 8.251 0.002 . 1 . . . A 413 PHE H . 19126 1
1002 . 1 1 129 129 PHE HA H 1 4.478 0.000 . 1 . . . A 413 PHE HA . 19126 1
1003 . 1 1 129 129 PHE HB2 H 1 2.791 0.000 . 2 . . . A 413 PHE HB2 . 19126 1
1004 . 1 1 129 129 PHE HB3 H 1 2.791 0.000 . 2 . . . A 413 PHE HB3 . 19126 1
1005 . 1 1 129 129 PHE CA C 13 58.538 0.263 . 1 . . . A 413 PHE CA . 19126 1
1006 . 1 1 129 129 PHE CB C 13 39.130 0.000 . 1 . . . A 413 PHE CB . 19126 1
1007 . 1 1 129 129 PHE N N 15 117.265 0.119 . 1 . . . A 413 PHE N . 19126 1
1008 . 1 1 130 130 TYR H H 1 7.917 0.007 . 1 . . . A 414 TYR H . 19126 1
1009 . 1 1 130 130 TYR HA H 1 4.305 0.000 . 1 . . . A 414 TYR HA . 19126 1
1010 . 1 1 130 130 TYR HB2 H 1 3.161 0.005 . 2 . . . A 414 TYR HB2 . 19126 1
1011 . 1 1 130 130 TYR HB3 H 1 3.161 0.005 . 2 . . . A 414 TYR HB3 . 19126 1
1012 . 1 1 130 130 TYR HD1 H 1 6.109 0.000 . 3 . . . A 414 TYR HD1 . 19126 1
1013 . 1 1 130 130 TYR HD2 H 1 6.109 0.000 . 3 . . . A 414 TYR HD2 . 19126 1
1014 . 1 1 130 130 TYR HE1 H 1 6.109 0.000 . 3 . . . A 414 TYR HE1 . 19126 1
1015 . 1 1 130 130 TYR HE2 H 1 6.109 0.000 . 3 . . . A 414 TYR HE2 . 19126 1
1016 . 1 1 130 130 TYR CA C 13 56.882 0.000 . 1 . . . A 414 TYR CA . 19126 1
1017 . 1 1 130 130 TYR CB C 13 38.673 0.000 . 1 . . . A 414 TYR CB . 19126 1
1018 . 1 1 130 130 TYR N N 15 119.402 0.137 . 1 . . . A 414 TYR N . 19126 1
1019 . 1 1 131 131 TRP H H 1 8.490 0.013 . 1 . . . A 415 TRP H . 19126 1
1020 . 1 1 131 131 TRP CA C 13 57.900 0.000 . 1 . . . A 415 TRP CA . 19126 1
1021 . 1 1 131 131 TRP CB C 13 28.506 0.000 . 1 . . . A 415 TRP CB . 19126 1
1022 . 1 1 131 131 TRP N N 15 118.463 0.115 . 1 . . . A 415 TRP N . 19126 1
1023 . 1 1 132 132 ILE H H 1 7.883 0.007 . 1 . . . A 416 ILE H . 19126 1
1024 . 1 1 132 132 ILE HA H 1 4.183 0.000 . 1 . . . A 416 ILE HA . 19126 1
1025 . 1 1 132 132 ILE HB H 1 1.699 0.000 . 1 . . . A 416 ILE HB . 19126 1
1026 . 1 1 132 132 ILE HG12 H 1 1.270 0.000 . 2 . . . A 416 ILE HG12 . 19126 1
1027 . 1 1 132 132 ILE HG13 H 1 1.270 0.000 . 2 . . . A 416 ILE HG13 . 19126 1
1028 . 1 1 132 132 ILE HG21 H 1 1.112 0.029 . 1 . . . A 416 ILE HG21 . 19126 1
1029 . 1 1 132 132 ILE HG22 H 1 1.112 0.029 . 1 . . . A 416 ILE HG22 . 19126 1
1030 . 1 1 132 132 ILE HG23 H 1 1.112 0.029 . 1 . . . A 416 ILE HG23 . 19126 1
1031 . 1 1 132 132 ILE HD11 H 1 0.933 0.000 . 1 . . . A 416 ILE HD11 . 19126 1
1032 . 1 1 132 132 ILE HD12 H 1 0.933 0.000 . 1 . . . A 416 ILE HD12 . 19126 1
1033 . 1 1 132 132 ILE HD13 H 1 0.933 0.000 . 1 . . . A 416 ILE HD13 . 19126 1
1034 . 1 1 132 132 ILE CA C 13 61.482 0.000 . 1 . . . A 416 ILE CA . 19126 1
1035 . 1 1 132 132 ILE CB C 13 39.236 0.000 . 1 . . . A 416 ILE CB . 19126 1
1036 . 1 1 132 132 ILE N N 15 119.297 0.022 . 1 . . . A 416 ILE N . 19126 1
1037 . 1 1 133 133 ILE H H 1 7.877 0.007 . 1 . . . A 417 ILE H . 19126 1
1038 . 1 1 133 133 ILE HA H 1 3.925 0.000 . 1 . . . A 417 ILE HA . 19126 1
1039 . 1 1 133 133 ILE HB H 1 1.600 0.000 . 1 . . . A 417 ILE HB . 19126 1
1040 . 1 1 133 133 ILE HG12 H 1 1.296 0.000 . 2 . . . A 417 ILE HG12 . 19126 1
1041 . 1 1 133 133 ILE HG13 H 1 1.296 0.000 . 2 . . . A 417 ILE HG13 . 19126 1
1042 . 1 1 133 133 ILE HD11 H 1 0.933 0.000 . 1 . . . A 417 ILE HD11 . 19126 1
1043 . 1 1 133 133 ILE HD12 H 1 0.933 0.000 . 1 . . . A 417 ILE HD12 . 19126 1
1044 . 1 1 133 133 ILE HD13 H 1 0.933 0.000 . 1 . . . A 417 ILE HD13 . 19126 1
1045 . 1 1 133 133 ILE CA C 13 63.594 0.000 . 1 . . . A 417 ILE CA . 19126 1
1046 . 1 1 133 133 ILE CB C 13 38.532 0.000 . 1 . . . A 417 ILE CB . 19126 1
1047 . 1 1 133 133 ILE N N 15 118.254 0.213 . 1 . . . A 417 ILE N . 19126 1
1048 . 1 1 134 134 TYR H H 1 8.008 0.000 . 1 . . . A 418 TYR H . 19126 1
1049 . 1 1 134 134 TYR CA C 13 58.156 0.000 . 1 . . . A 418 TYR CA . 19126 1
1050 . 1 1 134 134 TYR N N 15 117.343 0.000 . 1 . . . A 418 TYR N . 19126 1
1051 . 1 1 135 135 LYS H H 1 7.969 0.003 . 1 . . . A 419 LYS H . 19126 1
1052 . 1 1 135 135 LYS HA H 1 4.184 0.000 . 1 . . . A 419 LYS HA . 19126 1
1053 . 1 1 135 135 LYS HB2 H 1 1.882 0.004 . 2 . . . A 419 LYS HB2 . 19126 1
1054 . 1 1 135 135 LYS HB3 H 1 1.882 0.004 . 2 . . . A 419 LYS HB3 . 19126 1
1055 . 1 1 135 135 LYS HG2 H 1 1.280 0.000 . 2 . . . A 419 LYS HG2 . 19126 1
1056 . 1 1 135 135 LYS HG3 H 1 1.280 0.000 . 2 . . . A 419 LYS HG3 . 19126 1
1057 . 1 1 135 135 LYS HD2 H 1 1.709 0.000 . 2 . . . A 419 LYS HD2 . 19126 1
1058 . 1 1 135 135 LYS HD3 H 1 1.709 0.000 . 2 . . . A 419 LYS HD3 . 19126 1
1059 . 1 1 135 135 LYS HE2 H 1 3.034 0.000 . 2 . . . A 419 LYS HE2 . 19126 1
1060 . 1 1 135 135 LYS HE3 H 1 3.034 0.000 . 2 . . . A 419 LYS HE3 . 19126 1
1061 . 1 1 135 135 LYS CA C 13 56.795 0.000 . 1 . . . A 419 LYS CA . 19126 1
1062 . 1 1 135 135 LYS CB C 13 32.161 0.068 . 1 . . . A 419 LYS CB . 19126 1
1063 . 1 1 135 135 LYS N N 15 118.430 0.019 . 1 . . . A 419 LYS N . 19126 1
1064 . 1 1 136 136 ILE H H 1 8.106 0.011 . 1 . . . A 420 ILE H . 19126 1
1065 . 1 1 136 136 ILE HA H 1 3.982 0.000 . 1 . . . A 420 ILE HA . 19126 1
1066 . 1 1 136 136 ILE HB H 1 1.571 0.000 . 1 . . . A 420 ILE HB . 19126 1
1067 . 1 1 136 136 ILE CA C 13 62.250 0.000 . 1 . . . A 420 ILE CA . 19126 1
1068 . 1 1 136 136 ILE CB C 13 32.444 0.000 . 1 . . . A 420 ILE CB . 19126 1
1069 . 1 1 136 136 ILE N N 15 120.444 0.092 . 1 . . . A 420 ILE N . 19126 1
1070 . 1 1 137 137 VAL H H 1 8.624 0.008 . 1 . . . A 421 VAL H . 19126 1
1071 . 1 1 137 137 VAL HG11 H 1 0.869 0.000 . 2 . . . A 421 VAL HG11 . 19126 1
1072 . 1 1 137 137 VAL HG12 H 1 0.869 0.000 . 2 . . . A 421 VAL HG12 . 19126 1
1073 . 1 1 137 137 VAL HG13 H 1 0.869 0.000 . 2 . . . A 421 VAL HG13 . 19126 1
1074 . 1 1 137 137 VAL HG21 H 1 0.869 0.000 . 2 . . . A 421 VAL HG21 . 19126 1
1075 . 1 1 137 137 VAL HG22 H 1 0.869 0.000 . 2 . . . A 421 VAL HG22 . 19126 1
1076 . 1 1 137 137 VAL HG23 H 1 0.869 0.000 . 2 . . . A 421 VAL HG23 . 19126 1
1077 . 1 1 137 137 VAL CA C 13 62.964 0.000 . 1 . . . A 421 VAL CA . 19126 1
1078 . 1 1 137 137 VAL CB C 13 32.672 0.000 . 1 . . . A 421 VAL CB . 19126 1
1079 . 1 1 137 137 VAL N N 15 120.035 0.125 . 1 . . . A 421 VAL N . 19126 1
1080 . 1 1 138 138 ARG H H 1 8.018 0.006 . 1 . . . A 422 ARG H . 19126 1
1081 . 1 1 138 138 ARG HA H 1 4.095 0.000 . 1 . . . A 422 ARG HA . 19126 1
1082 . 1 1 138 138 ARG CA C 13 56.456 0.000 . 1 . . . A 422 ARG CA . 19126 1
1083 . 1 1 138 138 ARG CB C 13 29.343 0.049 . 1 . . . A 422 ARG CB . 19126 1
1084 . 1 1 138 138 ARG N N 15 120.729 0.083 . 1 . . . A 422 ARG N . 19126 1
1085 . 1 1 139 139 ARG H H 1 8.312 0.002 . 1 . . . A 423 ARG H . 19126 1
1086 . 1 1 139 139 ARG HA H 1 4.523 0.000 . 1 . . . A 423 ARG HA . 19126 1
1087 . 1 1 139 139 ARG CA C 13 56.053 0.000 . 1 . . . A 423 ARG CA . 19126 1
1088 . 1 1 139 139 ARG CB C 13 29.584 0.000 . 1 . . . A 423 ARG CB . 19126 1
1089 . 1 1 139 139 ARG N N 15 121.318 0.047 . 1 . . . A 423 ARG N . 19126 1
1090 . 1 1 140 140 GLU H H 1 8.209 0.019 . 1 . . . A 424 GLU H . 19126 1
1091 . 1 1 140 140 GLU CA C 13 58.555 0.000 . 1 . . . A 424 GLU CA . 19126 1
1092 . 1 1 140 140 GLU N N 15 117.909 0.125 . 1 . . . A 424 GLU N . 19126 1
1093 . 1 1 141 141 ASP H H 1 8.259 0.015 . 1 . . . A 425 ASP H . 19126 1
1094 . 1 1 141 141 ASP CA C 13 54.075 0.000 . 1 . . . A 425 ASP CA . 19126 1
1095 . 1 1 141 141 ASP CB C 13 39.330 0.000 . 1 . . . A 425 ASP CB . 19126 1
1096 . 1 1 141 141 ASP N N 15 120.624 0.055 . 1 . . . A 425 ASP N . 19126 1
1097 . 1 1 142 142 GLU H H 1 8.119 0.012 . 1 . . . A 426 GLU H . 19126 1
1098 . 1 1 142 142 GLU HA H 1 4.468 0.000 . 1 . . . A 426 GLU HA . 19126 1
1099 . 1 1 142 142 GLU CA C 13 55.872 0.000 . 1 . . . A 426 GLU CA . 19126 1
1100 . 1 1 142 142 GLU CB C 13 28.858 0.000 . 1 . . . A 426 GLU CB . 19126 1
1101 . 1 1 142 142 GLU N N 15 116.933 0.037 . 1 . . . A 426 GLU N . 19126 1
1102 . 1 1 143 143 PHE H H 1 8.029 0.005 . 1 . . . A 427 PHE H . 19126 1
1103 . 1 1 143 143 PHE HA H 1 4.207 0.000 . 1 . . . A 427 PHE HA . 19126 1
1104 . 1 1 143 143 PHE HB2 H 1 3.216 0.029 . 2 . . . A 427 PHE HB2 . 19126 1
1105 . 1 1 143 143 PHE HB3 H 1 3.216 0.029 . 2 . . . A 427 PHE HB3 . 19126 1
1106 . 1 1 143 143 PHE CA C 13 57.168 0.000 . 1 . . . A 427 PHE CA . 19126 1
1107 . 1 1 143 143 PHE CB C 13 38.828 0.000 . 1 . . . A 427 PHE CB . 19126 1
1108 . 1 1 143 143 PHE N N 15 118.785 0.063 . 1 . . . A 427 PHE N . 19126 1
1109 . 1 1 144 144 GLU H H 1 8.772 0.000 . 1 . . . A 428 GLU H . 19126 1
1110 . 1 1 144 144 GLU HA H 1 4.300 0.011 . 1 . . . A 428 GLU HA . 19126 1
1111 . 1 1 144 144 GLU HB2 H 1 2.092 0.000 . 2 . . . A 428 GLU HB2 . 19126 1
1112 . 1 1 144 144 GLU HB3 H 1 2.092 0.000 . 2 . . . A 428 GLU HB3 . 19126 1
1113 . 1 1 144 144 GLU CA C 13 56.432 0.134 . 1 . . . A 428 GLU CA . 19126 1
1114 . 1 1 144 144 GLU CB C 13 29.579 0.000 . 1 . . . A 428 GLU CB . 19126 1
1115 . 1 1 144 144 GLU N N 15 123.173 0.000 . 1 . . . A 428 GLU N . 19126 1
1116 . 1 1 145 145 HIS H H 1 8.464 0.000 . 1 . . . A 429 HIS H . 19126 1
1117 . 1 1 145 145 HIS CA C 13 55.666 0.000 . 1 . . . A 429 HIS CA . 19126 1
1118 . 1 1 145 145 HIS CB C 13 28.666 0.000 . 1 . . . A 429 HIS CB . 19126 1
1119 . 1 1 145 145 HIS N N 15 119.962 0.000 . 1 . . . A 429 HIS N . 19126 1
1120 . 1 1 146 146 HIS H H 1 8.423 0.007 . 1 . . . A 430 HIS H . 19126 1
1121 . 1 1 146 146 HIS CA C 13 55.482 0.097 . 1 . . . A 430 HIS CA . 19126 1
1122 . 1 1 146 146 HIS CB C 13 29.214 0.137 . 1 . . . A 430 HIS CB . 19126 1
1123 . 1 1 146 146 HIS N N 15 119.248 0.067 . 1 . . . A 430 HIS N . 19126 1
1124 . 1 1 147 147 HIS H H 1 8.228 0.000 . 1 . . . A 431 HIS H . 19126 1
1125 . 1 1 147 147 HIS HA H 1 4.381 0.000 . 1 . . . A 431 HIS HA . 19126 1
1126 . 1 1 147 147 HIS CA C 13 55.697 0.000 . 1 . . . A 431 HIS CA . 19126 1
1127 . 1 1 147 147 HIS CB C 13 28.894 0.013 . 1 . . . A 431 HIS CB . 19126 1
1128 . 1 1 147 147 HIS N N 15 118.240 0.000 . 1 . . . A 431 HIS N . 19126 1
1129 . 1 1 148 148 HIS H H 1 8.418 0.002 . 1 . . . A 432 HIS H . 19126 1
1130 . 1 1 148 148 HIS HA H 1 4.600 0.000 . 1 . . . A 432 HIS HA . 19126 1
1131 . 1 1 148 148 HIS CA C 13 55.230 0.032 . 1 . . . A 432 HIS CA . 19126 1
1132 . 1 1 148 148 HIS CB C 13 29.077 0.000 . 1 . . . A 432 HIS CB . 19126 1
1133 . 1 1 148 148 HIS N N 15 119.186 0.021 . 1 . . . A 432 HIS N . 19126 1
1134 . 1 1 149 149 HIS H H 1 8.464 0.002 . 1 . . . A 433 HIS H . 19126 1
1135 . 1 1 149 149 HIS CA C 13 55.612 0.000 . 1 . . . A 433 HIS CA . 19126 1
1136 . 1 1 149 149 HIS CB C 13 29.260 0.000 . 1 . . . A 433 HIS CB . 19126 1
1137 . 1 1 149 149 HIS N N 15 119.983 0.025 . 1 . . . A 433 HIS N . 19126 1
1138 . 1 1 150 150 HIS H H 1 8.309 0.005 . 1 . . . A 434 HIS H . 19126 1
1139 . 1 1 150 150 HIS HA H 1 4.634 0.000 . 1 . . . A 434 HIS HA . 19126 1
1140 . 1 1 150 150 HIS HB2 H 1 3.240 0.000 . 2 . . . A 434 HIS HB2 . 19126 1
1141 . 1 1 150 150 HIS HB3 H 1 3.240 0.000 . 2 . . . A 434 HIS HB3 . 19126 1
1142 . 1 1 150 150 HIS C C 13 173.588 0.000 . 1 . . . A 434 HIS C . 19126 1
1143 . 1 1 150 150 HIS CA C 13 56.901 0.000 . 1 . . . A 434 HIS CA . 19126 1
1144 . 1 1 150 150 HIS CB C 13 29.640 0.000 . 1 . . . A 434 HIS CB . 19126 1
1145 . 1 1 150 150 HIS N N 15 124.814 0.066 . 1 . . . A 434 HIS N . 19126 1
stop_
save_