data_6874
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 6874
_Entry.Title
;
Structural diversity in CBP/p160 complexes
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2005-10-25
_Entry.Accession_date 2005-10-25
_Entry.Last_release_date 2006-06-26
_Entry.Original_release_date 2006-06-26
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 2.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_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 Lorna Waters . C. . 6874
2 Baigong Yue . . . 6874
3 Vaclav Veverka . . . 6874
4 Philip Renshaw . S. . 6874
5 Janice Bramham . . . 6874
6 Sachiko Matsuda . . . 6874
7 Thomas Frenkiel . A. . 6874
8 Geoff Kelly . . . 6874
9 Fred Muskett . W. . 6874
10 David Heery . M. . 6874
11 Mark Carr . D. . 6874
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 2 6874
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 352 6874
'15N chemical shifts' 108 6874
'1H chemical shifts' 764 6874
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2006-06-26 2005-10-25 original author . 6874
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 6874
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 16540468
_Citation.Full_citation .
_Citation.Title 'Structural Diversity in p160/CREB-binding Protein Coactivator Complexes'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Biol. Chem.'
_Citation.Journal_name_full .
_Citation.Journal_volume 281
_Citation.Journal_issue 21
_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 14787
_Citation.Page_last 14795
_Citation.Year 2006
_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 Lorna Waters . C. . 6874 1
2 Baigong Yue . . . 6874 1
3 Vaclav Veverka . . . 6874 1
4 Philip Renshaw . S. . 6874 1
5 Janice Bramham . . . 6874 1
6 Sachiko Matsuda . . . 6874 1
7 Thomas Frenkiel . A. . 6874 1
8 Geoff Kelly . . . 6874 1
9 Fred Muskett . W. . 6874 1
10 Mark Carr . D. . 6874 1
11 David Heery . M. . 6874 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_CBP-SID-SRC1-AD1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_CBP-SID-SRC1-AD1
_Assembly.Entry_ID 6874
_Assembly.ID 1
_Assembly.Name 'CBP-SID domain in complex with SRC1-AD1 domain'
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'not present'
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Assembly_type.Type
_Assembly_type.Entry_ID
_Assembly_type.Assembly_ID
heterodimer 6874 1
stop_
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 'CBP SID DOMAIN' 1 $CBP . . . native . . . . . 6874 1
2 'SRC1 AD1 DOMAIN' 2 $SRC1 . . . native . . . . . 6874 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
yes Swiss-Prot O00150 . . . . . 'System reported here is CBP - SID domain in complex with SRC1 - AD1 domain.' 6874 1
yes Swiss-Prot P45481 . . . . . 'System reported here is CBP - SID domain in complex with SRC1 - AD1 domain.' 6874 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
'CBP-SID domain in complex with SRC1-AD1 domain' system 6874 1
CBP-SID/SRC1-AD1 abbreviation 6874 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_CBP
_Entity.Sf_category entity
_Entity.Sf_framecode CBP
_Entity.Entry_ID 6874
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'CREB-Binding Protein'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MPNRSISPSALQDLLRTLKS
PSSPQQQQQVLNILKSNPQL
MAAFIKQRTAKYVANQPGMQ
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 60
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-01-28
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 2C52 . "Structural Diversity In Cbp P160 Complexes" . . . . . 86.76 59 100.00 100.00 2.54e-31 . . . . 6874 1
2 no GB EPY77026 . "nuclear receptor coactivator 1 isoform 2 isoform 3-like protein [Camelus ferus]" . . . . . 63.24 1029 100.00 100.00 2.71e-17 . . . . 6874 1
3 no GB KFO94678 . "Nuclear receptor coactivator 1, partial [Buceros rhinoceros silvestris]" . . . . . 63.24 1130 97.67 97.67 2.51e-16 . . . . 6874 1
4 no GB KFQ55766 . "Nuclear receptor coactivator 1, partial [Nestor notabilis]" . . . . . 69.12 1472 97.87 97.87 1.40e-19 . . . . 6874 1
5 no GB KFW05013 . "Nuclear receptor coactivator 1, partial [Fulmarus glacialis]" . . . . . 64.71 1408 97.73 97.73 1.76e-17 . . . . 6874 1
6 no REF XP_004324562 . "PREDICTED: nuclear receptor coactivator 1-like, partial [Tursiops truncatus]" . . . . . 63.24 962 100.00 100.00 1.87e-17 . . . . 6874 1
7 no REF XP_005443577 . "PREDICTED: nuclear receptor coactivator 1 isoform X1 [Falco cherrug]" . . . . . 69.12 1449 97.87 97.87 1.10e-19 . . . . 6874 1
8 no REF XP_005443578 . "PREDICTED: nuclear receptor coactivator 1 isoform X2 [Falco cherrug]" . . . . . 69.12 1448 97.87 97.87 1.10e-19 . . . . 6874 1
9 no REF XP_007110326 . "PREDICTED: nuclear receptor coactivator 1-like isoform X1 [Physeter catodon]" . . . . . 63.24 970 100.00 100.00 1.81e-17 . . . . 6874 1
10 no REF XP_007110327 . "PREDICTED: nuclear receptor coactivator 1-like isoform X2 [Physeter catodon]" . . . . . 63.24 970 100.00 100.00 1.81e-17 . . . . 6874 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
CBP abbreviation 6874 1
'CREB-Binding Protein' common 6874 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 0 MET . 6874 1
2 2059 PRO . 6874 1
3 2060 ASN . 6874 1
4 2061 ARG . 6874 1
5 2062 SER . 6874 1
6 2063 ILE . 6874 1
7 2064 SER . 6874 1
8 2065 PRO . 6874 1
9 2066 SER . 6874 1
10 2067 ALA . 6874 1
11 2068 LEU . 6874 1
12 2069 GLN . 6874 1
13 2070 ASP . 6874 1
14 2071 LEU . 6874 1
15 2072 LEU . 6874 1
16 2073 ARG . 6874 1
17 2074 THR . 6874 1
18 2075 LEU . 6874 1
19 2076 LYS . 6874 1
20 2077 SER . 6874 1
21 2078 PRO . 6874 1
22 2079 SER . 6874 1
23 2080 SER . 6874 1
24 2081 PRO . 6874 1
25 2082 GLN . 6874 1
26 2083 GLN . 6874 1
27 2084 GLN . 6874 1
28 2085 GLN . 6874 1
29 2086 GLN . 6874 1
30 2087 VAL . 6874 1
31 2088 LEU . 6874 1
32 2089 ASN . 6874 1
33 2090 ILE . 6874 1
34 2091 LEU . 6874 1
35 2092 LYS . 6874 1
36 2093 SER . 6874 1
37 2094 ASN . 6874 1
38 2095 PRO . 6874 1
39 2096 GLN . 6874 1
40 2097 LEU . 6874 1
41 2098 MET . 6874 1
42 2099 ALA . 6874 1
43 2100 ALA . 6874 1
44 2101 PHE . 6874 1
45 2102 ILE . 6874 1
46 2103 LYS . 6874 1
47 2104 GLN . 6874 1
48 2105 ARG . 6874 1
49 2106 THR . 6874 1
50 2107 ALA . 6874 1
51 2108 LYS . 6874 1
52 2109 TYR . 6874 1
53 2110 VAL . 6874 1
54 2111 ALA . 6874 1
55 2112 ASN . 6874 1
56 2113 GLN . 6874 1
57 2114 PRO . 6874 1
58 2115 GLY . 6874 1
59 2116 MET . 6874 1
60 2117 GLN . 6874 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 6874 1
. PRO 2 2 6874 1
. ASN 3 3 6874 1
. ARG 4 4 6874 1
. SER 5 5 6874 1
. ILE 6 6 6874 1
. SER 7 7 6874 1
. PRO 8 8 6874 1
. SER 9 9 6874 1
. ALA 10 10 6874 1
. LEU 11 11 6874 1
. GLN 12 12 6874 1
. ASP 13 13 6874 1
. LEU 14 14 6874 1
. LEU 15 15 6874 1
. ARG 16 16 6874 1
. THR 17 17 6874 1
. LEU 18 18 6874 1
. LYS 19 19 6874 1
. SER 20 20 6874 1
. PRO 21 21 6874 1
. SER 22 22 6874 1
. SER 23 23 6874 1
. PRO 24 24 6874 1
. GLN 25 25 6874 1
. GLN 26 26 6874 1
. GLN 27 27 6874 1
. GLN 28 28 6874 1
. GLN 29 29 6874 1
. VAL 30 30 6874 1
. LEU 31 31 6874 1
. ASN 32 32 6874 1
. ILE 33 33 6874 1
. LEU 34 34 6874 1
. LYS 35 35 6874 1
. SER 36 36 6874 1
. ASN 37 37 6874 1
. PRO 38 38 6874 1
. GLN 39 39 6874 1
. LEU 40 40 6874 1
. MET 41 41 6874 1
. ALA 42 42 6874 1
. ALA 43 43 6874 1
. PHE 44 44 6874 1
. ILE 45 45 6874 1
. LYS 46 46 6874 1
. GLN 47 47 6874 1
. ARG 48 48 6874 1
. THR 49 49 6874 1
. ALA 50 50 6874 1
. LYS 51 51 6874 1
. TYR 52 52 6874 1
. VAL 53 53 6874 1
. ALA 54 54 6874 1
. ASN 55 55 6874 1
. GLN 56 56 6874 1
. PRO 57 57 6874 1
. GLY 58 58 6874 1
. MET 59 59 6874 1
. GLN 60 60 6874 1
stop_
save_
save_SRC1
_Entity.Sf_category entity
_Entity.Sf_framecode SRC1
_Entity.Entry_ID 6874
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name 'Steroid Receptor Coactivator -1'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MGPTTVEGRNDEKALLEQLV
SFLSGKDETELAELDRALGI
DKLVQGGGLDVLSKLVPRGS
LEHHHHHH
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 68
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details 'The residue number 3-53 corresponds to 920-970 in another numbering system.'
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
SRC1 abbreviation 6874 2
'Steroid Receptor Coactivator -1' common 6874 2
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 301 MET . 6874 2
2 302 GLY . 6874 2
3 303 PRO . 6874 2
4 304 THR . 6874 2
5 305 THR . 6874 2
6 306 VAL . 6874 2
7 307 GLU . 6874 2
8 308 GLY . 6874 2
9 309 ARG . 6874 2
10 310 ASN . 6874 2
11 311 ASP . 6874 2
12 312 GLU . 6874 2
13 313 LYS . 6874 2
14 314 ALA . 6874 2
15 315 LEU . 6874 2
16 316 LEU . 6874 2
17 317 GLU . 6874 2
18 318 GLN . 6874 2
19 319 LEU . 6874 2
20 320 VAL . 6874 2
21 321 SER . 6874 2
22 322 PHE . 6874 2
23 323 LEU . 6874 2
24 324 SER . 6874 2
25 325 GLY . 6874 2
26 326 LYS . 6874 2
27 327 ASP . 6874 2
28 328 GLU . 6874 2
29 329 THR . 6874 2
30 330 GLU . 6874 2
31 331 LEU . 6874 2
32 332 ALA . 6874 2
33 333 GLU . 6874 2
34 334 LEU . 6874 2
35 335 ASP . 6874 2
36 336 ARG . 6874 2
37 337 ALA . 6874 2
38 338 LEU . 6874 2
39 339 GLY . 6874 2
40 340 ILE . 6874 2
41 341 ASP . 6874 2
42 342 LYS . 6874 2
43 343 LEU . 6874 2
44 344 VAL . 6874 2
45 345 GLN . 6874 2
46 346 GLY . 6874 2
47 347 GLY . 6874 2
48 348 GLY . 6874 2
49 349 LEU . 6874 2
50 350 ASP . 6874 2
51 351 VAL . 6874 2
52 352 LEU . 6874 2
53 353 SER . 6874 2
54 354 LYS . 6874 2
55 355 LEU . 6874 2
56 356 VAL . 6874 2
57 357 PRO . 6874 2
58 358 ARG . 6874 2
59 359 GLY . 6874 2
60 360 SER . 6874 2
61 361 LEU . 6874 2
62 362 GLU . 6874 2
63 363 HIS . 6874 2
64 364 HIS . 6874 2
65 365 HIS . 6874 2
66 366 HIS . 6874 2
67 367 HIS . 6874 2
68 368 HIS . 6874 2
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 6874 2
. GLY 2 2 6874 2
. PRO 3 3 6874 2
. THR 4 4 6874 2
. THR 5 5 6874 2
. VAL 6 6 6874 2
. GLU 7 7 6874 2
. GLY 8 8 6874 2
. ARG 9 9 6874 2
. ASN 10 10 6874 2
. ASP 11 11 6874 2
. GLU 12 12 6874 2
. LYS 13 13 6874 2
. ALA 14 14 6874 2
. LEU 15 15 6874 2
. LEU 16 16 6874 2
. GLU 17 17 6874 2
. GLN 18 18 6874 2
. LEU 19 19 6874 2
. VAL 20 20 6874 2
. SER 21 21 6874 2
. PHE 22 22 6874 2
. LEU 23 23 6874 2
. SER 24 24 6874 2
. GLY 25 25 6874 2
. LYS 26 26 6874 2
. ASP 27 27 6874 2
. GLU 28 28 6874 2
. THR 29 29 6874 2
. GLU 30 30 6874 2
. LEU 31 31 6874 2
. ALA 32 32 6874 2
. GLU 33 33 6874 2
. LEU 34 34 6874 2
. ASP 35 35 6874 2
. ARG 36 36 6874 2
. ALA 37 37 6874 2
. LEU 38 38 6874 2
. GLY 39 39 6874 2
. ILE 40 40 6874 2
. ASP 41 41 6874 2
. LYS 42 42 6874 2
. LEU 43 43 6874 2
. VAL 44 44 6874 2
. GLN 45 45 6874 2
. GLY 46 46 6874 2
. GLY 47 47 6874 2
. GLY 48 48 6874 2
. LEU 49 49 6874 2
. ASP 50 50 6874 2
. VAL 51 51 6874 2
. LEU 52 52 6874 2
. SER 53 53 6874 2
. LYS 54 54 6874 2
. LEU 55 55 6874 2
. VAL 56 56 6874 2
. PRO 57 57 6874 2
. ARG 58 58 6874 2
. GLY 59 59 6874 2
. SER 60 60 6874 2
. LEU 61 61 6874 2
. GLU 62 62 6874 2
. HIS 63 63 6874 2
. HIS 64 64 6874 2
. HIS 65 65 6874 2
. HIS 66 66 6874 2
. HIS 67 67 6874 2
. HIS 68 68 6874 2
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 6874
_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 $CBP . 10090 . . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6874 1
2 2 $SRC1 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6874 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 6874
_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 $CBP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1
2 2 $SRC1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 6874
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_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 'CREB-Binding Protein' '[U-13C; U-15N]' . . 1 $CBP . . . 1.3 1.5 mM . . . . 6874 1
2 'Steroid Receptor Coactivator -1' '[U-13C; U-15N]' . . 2 $SRC1 . . . 1.3 1.5 mM . . . . 6874 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 6874
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_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 'CREB-Binding Protein' [U-15N] . . 1 $CBP . . . 1.3 1.5 mM . . . . 6874 2
2 'Steroid Receptor Coactivator -1' [U-15N] . . 2 $SRC1 . . . 1.3 1.5 mM . . . . 6874 2
stop_
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode conditions_1
_Sample_condition_list.Entry_ID 6874
_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 7.0 0.2 pH 6874 1
temperature 298 1 K 6874 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 6874
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model Inova
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_NMR_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_2
_NMR_spectrometer.Entry_ID 6874
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 6874
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 NMR_spectrometer_1 Varian Inova . 800 . . . 6874 1
2 NMR_spectrometer_2 Bruker Avance . 600 . . . 6874 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 6874
_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 '1H/1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1
2 '1H/1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1
3 '15N/1H HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1
4 '15N/1H TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1
5 '15N/1H NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1
6 '13C/1H HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1
7 '13C/1H HMQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1
8 '15N/13C/1H HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1
9 '15N/13C/1H CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1
stop_
save_
save_NMR_spec_expt__0_1
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1
_NMR_spec_expt.Entry_ID 6874
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name '1H/1H TOCSY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_2
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2
_NMR_spec_expt.Entry_ID 6874
_NMR_spec_expt.ID 2
_NMR_spec_expt.Name '1H/1H NOESY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_3
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3
_NMR_spec_expt.Entry_ID 6874
_NMR_spec_expt.ID 3
_NMR_spec_expt.Name '15N/1H HSQC'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_4
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4
_NMR_spec_expt.Entry_ID 6874
_NMR_spec_expt.ID 4
_NMR_spec_expt.Name '15N/1H TOCSY-HSQC'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_5
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5
_NMR_spec_expt.Entry_ID 6874
_NMR_spec_expt.ID 5
_NMR_spec_expt.Name '15N/1H NOESY-HSQC'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_6
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6
_NMR_spec_expt.Entry_ID 6874
_NMR_spec_expt.ID 6
_NMR_spec_expt.Name '13C/1H HCCH-TOCSY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_7
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7
_NMR_spec_expt.Entry_ID 6874
_NMR_spec_expt.ID 7
_NMR_spec_expt.Name '13C/1H HMQC-NOESY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_8
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8
_NMR_spec_expt.Entry_ID 6874
_NMR_spec_expt.ID 8
_NMR_spec_expt.Name '15N/13C/1H HNCACB'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_9
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9
_NMR_spec_expt.Entry_ID 6874
_NMR_spec_expt.ID 9
_NMR_spec_expt.Name '15N/13C/1H CBCA(CO)NH'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID .
_NMR_spec_expt.NMR_spectrometer_label .
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference
_Chem_shift_reference.Entry_ID 6874
_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 0.0 . indirect 0.251449530 . . . . . . . . . 6874 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 6874 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6874 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_chemical_shift_CBP-SID
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_CBP-SID
_Assigned_chem_shift_list.Entry_ID 6874
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 '1H/1H TOCSY' . . . 6874 1
2 '1H/1H NOESY' . . . 6874 1
3 '15N/1H HSQC' . . . 6874 1
4 '15N/1H TOCSY-HSQC' . . . 6874 1
5 '15N/1H NOESY-HSQC' . . . 6874 1
6 '13C/1H HCCH-TOCSY' . . . 6874 1
7 '13C/1H HMQC-NOESY' . . . 6874 1
8 '15N/13C/1H HNCACB' . . . 6874 1
9 '15N/13C/1H CBCA(CO)NH' . . . 6874 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 2 2 PRO CD C 13 50.2 0.000 . 1 . . . . . . . . 6874 1
2 . 1 1 2 2 PRO CA C 13 62.4 0.000 . 1 . . . . . . . . 6874 1
3 . 1 1 2 2 PRO HA H 1 4.72 0.002 . 1 . . . . . . . . 6874 1
4 . 1 1 2 2 PRO CB C 13 34.6 0.000 . 1 . . . . . . . . 6874 1
5 . 1 1 2 2 PRO HB2 H 1 2.43 0.001 . 2 . . . . . . . . 6874 1
6 . 1 1 2 2 PRO HB3 H 1 2.17 0.001 . 2 . . . . . . . . 6874 1
7 . 1 1 2 2 PRO CG C 13 24.6 0.000 . 1 . . . . . . . . 6874 1
8 . 1 1 2 2 PRO HG2 H 1 1.96 0.001 . 2 . . . . . . . . 6874 1
9 . 1 1 2 2 PRO HG3 H 1 1.86 0.001 . 2 . . . . . . . . 6874 1
10 . 1 1 2 2 PRO HD2 H 1 3.59 0.001 . 2 . . . . . . . . 6874 1
11 . 1 1 2 2 PRO HD3 H 1 3.56 0.000 . 2 . . . . . . . . 6874 1
12 . 1 1 3 3 ASN CA C 13 53.5 0.000 . 1 . . . . . . . . 6874 1
13 . 1 1 3 3 ASN HA H 1 4.76 0.002 . 1 . . . . . . . . 6874 1
14 . 1 1 3 3 ASN CB C 13 39.0 0.000 . 1 . . . . . . . . 6874 1
15 . 1 1 3 3 ASN HB2 H 1 2.88 0.011 . 2 . . . . . . . . 6874 1
16 . 1 1 3 3 ASN HB3 H 1 2.80 0.001 . 2 . . . . . . . . 6874 1
17 . 1 1 3 3 ASN ND2 N 15 112.7 0.000 . 1 . . . . . . . . 6874 1
18 . 1 1 3 3 ASN HD21 H 1 7.60 0.000 . 2 . . . . . . . . 6874 1
19 . 1 1 3 3 ASN HD22 H 1 6.94 0.000 . 2 . . . . . . . . 6874 1
20 . 1 1 4 4 ARG CA C 13 55.9 0.000 . 1 . . . . . . . . 6874 1
21 . 1 1 4 4 ARG HA H 1 4.43 0.001 . 1 . . . . . . . . 6874 1
22 . 1 1 4 4 ARG CB C 13 30.7 0.000 . 1 . . . . . . . . 6874 1
23 . 1 1 4 4 ARG HB2 H 1 1.92 0.001 . 2 . . . . . . . . 6874 1
24 . 1 1 4 4 ARG HB3 H 1 1.78 0.001 . 2 . . . . . . . . 6874 1
25 . 1 1 4 4 ARG CG C 13 27.2 0.000 . 1 . . . . . . . . 6874 1
26 . 1 1 4 4 ARG HG2 H 1 1.66 0.000 . 2 . . . . . . . . 6874 1
27 . 1 1 4 4 ARG HG3 H 1 1.65 0.000 . 2 . . . . . . . . 6874 1
28 . 1 1 4 4 ARG CD C 13 43.3 0.000 . 1 . . . . . . . . 6874 1
29 . 1 1 4 4 ARG HD2 H 1 3.22 0.001 . 1 . . . . . . . . 6874 1
30 . 1 1 4 4 ARG HD3 H 1 3.22 0.000 . 1 . . . . . . . . 6874 1
31 . 1 1 5 5 SER N N 15 117.6 0.000 . 1 . . . . . . . . 6874 1
32 . 1 1 5 5 SER H H 1 8.40 0.001 . 1 . . . . . . . . 6874 1
33 . 1 1 5 5 SER CA C 13 58.3 0.000 . 1 . . . . . . . . 6874 1
34 . 1 1 5 5 SER HA H 1 4.55 0.000 . 1 . . . . . . . . 6874 1
35 . 1 1 5 5 SER CB C 13 64.2 0.000 . 1 . . . . . . . . 6874 1
36 . 1 1 5 5 SER HB2 H 1 3.89 0.000 . 2 . . . . . . . . 6874 1
37 . 1 1 5 5 SER HB3 H 1 3.86 0.000 . 2 . . . . . . . . 6874 1
38 . 1 1 6 6 ILE N N 15 123.5 0.000 . 1 . . . . . . . . 6874 1
39 . 1 1 6 6 ILE H H 1 8.46 0.001 . 1 . . . . . . . . 6874 1
40 . 1 1 6 6 ILE CA C 13 60.9 0.000 . 1 . . . . . . . . 6874 1
41 . 1 1 6 6 ILE HA H 1 4.08 0.001 . 1 . . . . . . . . 6874 1
42 . 1 1 6 6 ILE CB C 13 39.3 0.014 . 1 . . . . . . . . 6874 1
43 . 1 1 6 6 ILE HB H 1 1.75 0.001 . 1 . . . . . . . . 6874 1
44 . 1 1 6 6 ILE HG21 H 1 0.87 0.001 . 1 . . . . . . . . 6874 1
45 . 1 1 6 6 ILE HG22 H 1 0.87 0.001 . 1 . . . . . . . . 6874 1
46 . 1 1 6 6 ILE HG23 H 1 0.87 0.001 . 1 . . . . . . . . 6874 1
47 . 1 1 6 6 ILE CG2 C 13 18.0 0.000 . 1 . . . . . . . . 6874 1
48 . 1 1 6 6 ILE CG1 C 13 28.0 0.010 . 1 . . . . . . . . 6874 1
49 . 1 1 6 6 ILE HG12 H 1 1.59 0.003 . 2 . . . . . . . . 6874 1
50 . 1 1 6 6 ILE HG13 H 1 0.95 0.003 . 2 . . . . . . . . 6874 1
51 . 1 1 6 6 ILE HD11 H 1 0.82 0.001 . 1 . . . . . . . . 6874 1
52 . 1 1 6 6 ILE HD12 H 1 0.82 0.001 . 1 . . . . . . . . 6874 1
53 . 1 1 6 6 ILE HD13 H 1 0.82 0.001 . 1 . . . . . . . . 6874 1
54 . 1 1 6 6 ILE CD1 C 13 13.5 0.000 . 1 . . . . . . . . 6874 1
55 . 1 1 7 7 SER N N 15 122.6 0.000 . 1 . . . . . . . . 6874 1
56 . 1 1 7 7 SER H H 1 8.46 0.000 . 1 . . . . . . . . 6874 1
57 . 1 1 7 7 SER CA C 13 55.2 0.000 . 1 . . . . . . . . 6874 1
58 . 1 1 7 7 SER HA H 1 4.80 0.000 . 1 . . . . . . . . 6874 1
59 . 1 1 7 7 SER CB C 13 63.4 0.000 . 1 . . . . . . . . 6874 1
60 . 1 1 7 7 SER HB2 H 1 4.07 0.003 . 2 . . . . . . . . 6874 1
61 . 1 1 7 7 SER HB3 H 1 3.89 0.000 . 2 . . . . . . . . 6874 1
62 . 1 1 8 8 PRO CD C 13 51.0 0.000 . 1 . . . . . . . . 6874 1
63 . 1 1 8 8 PRO CA C 13 65.0 0.000 . 1 . . . . . . . . 6874 1
64 . 1 1 8 8 PRO HA H 1 4.29 0.001 . 1 . . . . . . . . 6874 1
65 . 1 1 8 8 PRO CB C 13 32.0 0.000 . 1 . . . . . . . . 6874 1
66 . 1 1 8 8 PRO HB2 H 1 2.34 0.001 . 2 . . . . . . . . 6874 1
67 . 1 1 8 8 PRO HB3 H 1 2.02 0.002 . 2 . . . . . . . . 6874 1
68 . 1 1 8 8 PRO CG C 13 27.7 0.000 . 1 . . . . . . . . 6874 1
69 . 1 1 8 8 PRO HG2 H 1 2.21 0.001 . 2 . . . . . . . . 6874 1
70 . 1 1 8 8 PRO HG3 H 1 2.02 0.002 . 2 . . . . . . . . 6874 1
71 . 1 1 8 8 PRO HD2 H 1 4.11 0.001 . 2 . . . . . . . . 6874 1
72 . 1 1 8 8 PRO HD3 H 1 3.96 0.002 . 2 . . . . . . . . 6874 1
73 . 1 1 9 9 SER N N 15 113.7 0.000 . 1 . . . . . . . . 6874 1
74 . 1 1 9 9 SER H H 1 8.08 0.001 . 1 . . . . . . . . 6874 1
75 . 1 1 9 9 SER CA C 13 60.2 0.000 . 1 . . . . . . . . 6874 1
76 . 1 1 9 9 SER HA H 1 4.26 0.001 . 1 . . . . . . . . 6874 1
77 . 1 1 9 9 SER CB C 13 62.4 0.000 . 1 . . . . . . . . 6874 1
78 . 1 1 9 9 SER HB2 H 1 3.93 0.003 . 2 . . . . . . . . 6874 1
79 . 1 1 9 9 SER HB3 H 1 3.85 0.001 . 2 . . . . . . . . 6874 1
80 . 1 1 10 10 ALA N N 15 126.3 0.000 . 1 . . . . . . . . 6874 1
81 . 1 1 10 10 ALA H H 1 7.83 0.001 . 1 . . . . . . . . 6874 1
82 . 1 1 10 10 ALA CA C 13 54.8 0.000 . 1 . . . . . . . . 6874 1
83 . 1 1 10 10 ALA HA H 1 4.24 0.001 . 1 . . . . . . . . 6874 1
84 . 1 1 10 10 ALA HB1 H 1 1.42 0.002 . 1 . . . . . . . . 6874 1
85 . 1 1 10 10 ALA HB2 H 1 1.42 0.002 . 1 . . . . . . . . 6874 1
86 . 1 1 10 10 ALA HB3 H 1 1.42 0.002 . 1 . . . . . . . . 6874 1
87 . 1 1 10 10 ALA CB C 13 18.6 0.000 . 1 . . . . . . . . 6874 1
88 . 1 1 11 11 LEU N N 15 118.3 0.000 . 1 . . . . . . . . 6874 1
89 . 1 1 11 11 LEU H H 1 7.86 0.000 . 1 . . . . . . . . 6874 1
90 . 1 1 11 11 LEU CA C 13 58.3 0.000 . 1 . . . . . . . . 6874 1
91 . 1 1 11 11 LEU HA H 1 3.93 0.000 . 1 . . . . . . . . 6874 1
92 . 1 1 11 11 LEU CB C 13 41.5 0.000 . 1 . . . . . . . . 6874 1
93 . 1 1 11 11 LEU HB2 H 1 1.77 0.006 . 2 . . . . . . . . 6874 1
94 . 1 1 11 11 LEU HB3 H 1 1.61 0.001 . 2 . . . . . . . . 6874 1
95 . 1 1 11 11 LEU HD11 H 1 0.90 0.003 . 2 . . . . . . . . 6874 1
96 . 1 1 11 11 LEU HD12 H 1 0.90 0.003 . 2 . . . . . . . . 6874 1
97 . 1 1 11 11 LEU HD13 H 1 0.90 0.003 . 2 . . . . . . . . 6874 1
98 . 1 1 11 11 LEU HD21 H 1 0.86 0.003 . 2 . . . . . . . . 6874 1
99 . 1 1 11 11 LEU HD22 H 1 0.86 0.003 . 2 . . . . . . . . 6874 1
100 . 1 1 11 11 LEU HD23 H 1 0.86 0.003 . 2 . . . . . . . . 6874 1
101 . 1 1 11 11 LEU CD1 C 13 25.9 0.000 . 1 . . . . . . . . 6874 1
102 . 1 1 11 11 LEU CD2 C 13 25.9 0.000 . 1 . . . . . . . . 6874 1
103 . 1 1 12 12 GLN N N 15 118.1 0.000 . 1 . . . . . . . . 6874 1
104 . 1 1 12 12 GLN H H 1 8.16 0.000 . 1 . . . . . . . . 6874 1
105 . 1 1 12 12 GLN CA C 13 59.0 0.000 . 1 . . . . . . . . 6874 1
106 . 1 1 12 12 GLN HA H 1 3.93 0.002 . 1 . . . . . . . . 6874 1
107 . 1 1 12 12 GLN CB C 13 28.0 0.000 . 1 . . . . . . . . 6874 1
108 . 1 1 12 12 GLN HB2 H 1 2.18 0.002 . 2 . . . . . . . . 6874 1
109 . 1 1 12 12 GLN HB3 H 1 2.12 0.004 . 2 . . . . . . . . 6874 1
110 . 1 1 12 12 GLN CG C 13 33.9 0.000 . 1 . . . . . . . . 6874 1
111 . 1 1 12 12 GLN HG2 H 1 2.43 0.000 . 1 . . . . . . . . 6874 1
112 . 1 1 12 12 GLN HG3 H 1 2.43 0.000 . 1 . . . . . . . . 6874 1
113 . 1 1 13 13 ASP N N 15 121.2 0.000 . 1 . . . . . . . . 6874 1
114 . 1 1 13 13 ASP H H 1 8.27 0.000 . 1 . . . . . . . . 6874 1
115 . 1 1 13 13 ASP CA C 13 57.2 0.000 . 1 . . . . . . . . 6874 1
116 . 1 1 13 13 ASP HA H 1 4.41 0.001 . 1 . . . . . . . . 6874 1
117 . 1 1 13 13 ASP CB C 13 40.1 0.000 . 1 . . . . . . . . 6874 1
118 . 1 1 13 13 ASP HB2 H 1 2.84 0.001 . 2 . . . . . . . . 6874 1
119 . 1 1 13 13 ASP HB3 H 1 2.60 0.000 . 2 . . . . . . . . 6874 1
120 . 1 1 14 14 LEU N N 15 123.5 0.000 . 1 . . . . . . . . 6874 1
121 . 1 1 14 14 LEU H H 1 8.60 0.000 . 1 . . . . . . . . 6874 1
122 . 1 1 14 14 LEU CA C 13 58.2 0.024 . 1 . . . . . . . . 6874 1
123 . 1 1 14 14 LEU HA H 1 3.94 0.000 . 1 . . . . . . . . 6874 1
124 . 1 1 14 14 LEU CB C 13 41.1 0.011 . 1 . . . . . . . . 6874 1
125 . 1 1 14 14 LEU HD11 H 1 0.92 0.000 . 2 . . . . . . . . 6874 1
126 . 1 1 14 14 LEU HD12 H 1 0.92 0.000 . 2 . . . . . . . . 6874 1
127 . 1 1 14 14 LEU HD13 H 1 0.92 0.000 . 2 . . . . . . . . 6874 1
128 . 1 1 14 14 LEU CD1 C 13 24.3 0.000 . 1 . . . . . . . . 6874 1
129 . 1 1 15 15 LEU N N 15 119.3 0.000 . 1 . . . . . . . . 6874 1
130 . 1 1 15 15 LEU H H 1 8.42 0.000 . 1 . . . . . . . . 6874 1
131 . 1 1 15 15 LEU CA C 13 58.4 0.000 . 1 . . . . . . . . 6874 1
132 . 1 1 15 15 LEU HA H 1 3.64 0.001 . 1 . . . . . . . . 6874 1
133 . 1 1 15 15 LEU CB C 13 41.1 0.085 . 1 . . . . . . . . 6874 1
134 . 1 1 15 15 LEU HB2 H 1 1.76 0.002 . 2 . . . . . . . . 6874 1
135 . 1 1 15 15 LEU HB3 H 1 1.27 0.003 . 2 . . . . . . . . 6874 1
136 . 1 1 15 15 LEU CG C 13 27.1 0.000 . 1 . . . . . . . . 6874 1
137 . 1 1 15 15 LEU HG H 1 1.63 0.001 . 1 . . . . . . . . 6874 1
138 . 1 1 15 15 LEU HD11 H 1 0.77 0.002 . 2 . . . . . . . . 6874 1
139 . 1 1 15 15 LEU HD12 H 1 0.77 0.002 . 2 . . . . . . . . 6874 1
140 . 1 1 15 15 LEU HD13 H 1 0.77 0.002 . 2 . . . . . . . . 6874 1
141 . 1 1 15 15 LEU HD21 H 1 0.58 0.001 . 2 . . . . . . . . 6874 1
142 . 1 1 15 15 LEU HD22 H 1 0.58 0.001 . 2 . . . . . . . . 6874 1
143 . 1 1 15 15 LEU HD23 H 1 0.58 0.001 . 2 . . . . . . . . 6874 1
144 . 1 1 15 15 LEU CD1 C 13 25.3 0.000 . 1 . . . . . . . . 6874 1
145 . 1 1 15 15 LEU CD2 C 13 22.9 0.000 . 1 . . . . . . . . 6874 1
146 . 1 1 16 16 ARG N N 15 117.6 0.000 . 1 . . . . . . . . 6874 1
147 . 1 1 16 16 ARG H H 1 8.05 0.001 . 1 . . . . . . . . 6874 1
148 . 1 1 16 16 ARG CA C 13 59.3 0.027 . 1 . . . . . . . . 6874 1
149 . 1 1 16 16 ARG HA H 1 3.90 0.002 . 1 . . . . . . . . 6874 1
150 . 1 1 16 16 ARG CB C 13 30.2 0.000 . 1 . . . . . . . . 6874 1
151 . 1 1 16 16 ARG HB2 H 1 1.93 0.005 . 1 . . . . . . . . 6874 1
152 . 1 1 16 16 ARG HB3 H 1 1.93 0.000 . 1 . . . . . . . . 6874 1
153 . 1 1 16 16 ARG CG C 13 27.7 0.000 . 1 . . . . . . . . 6874 1
154 . 1 1 16 16 ARG HG2 H 1 1.73 0.003 . 2 . . . . . . . . 6874 1
155 . 1 1 16 16 ARG HG3 H 1 1.58 0.002 . 2 . . . . . . . . 6874 1
156 . 1 1 16 16 ARG CD C 13 43.0 0.000 . 1 . . . . . . . . 6874 1
157 . 1 1 16 16 ARG HD2 H 1 3.25 0.000 . 2 . . . . . . . . 6874 1
158 . 1 1 16 16 ARG HD3 H 1 3.23 0.003 . 2 . . . . . . . . 6874 1
159 . 1 1 17 17 THR N N 15 116.5 0.000 . 1 . . . . . . . . 6874 1
160 . 1 1 17 17 THR H H 1 7.99 0.001 . 1 . . . . . . . . 6874 1
161 . 1 1 17 17 THR CA C 13 66.5 0.000 . 1 . . . . . . . . 6874 1
162 . 1 1 17 17 THR HA H 1 3.94 0.001 . 1 . . . . . . . . 6874 1
163 . 1 1 17 17 THR CB C 13 68.4 0.054 . 1 . . . . . . . . 6874 1
164 . 1 1 17 17 THR HB H 1 4.16 0.000 . 1 . . . . . . . . 6874 1
165 . 1 1 17 17 THR HG21 H 1 1.24 0.000 . 1 . . . . . . . . 6874 1
166 . 1 1 17 17 THR HG22 H 1 1.24 0.000 . 1 . . . . . . . . 6874 1
167 . 1 1 17 17 THR HG23 H 1 1.24 0.000 . 1 . . . . . . . . 6874 1
168 . 1 1 17 17 THR CG2 C 13 23.2 0.000 . 1 . . . . . . . . 6874 1
169 . 1 1 18 18 LEU N N 15 122.6 0.000 . 1 . . . . . . . . 6874 1
170 . 1 1 18 18 LEU H H 1 8.55 0.000 . 1 . . . . . . . . 6874 1
171 . 1 1 18 18 LEU CA C 13 57.1 0.000 . 1 . . . . . . . . 6874 1
172 . 1 1 18 18 LEU HA H 1 3.94 0.002 . 1 . . . . . . . . 6874 1
173 . 1 1 18 18 LEU CB C 13 42.1 0.000 . 1 . . . . . . . . 6874 1
174 . 1 1 18 18 LEU HB2 H 1 1.78 0.000 . 2 . . . . . . . . 6874 1
175 . 1 1 18 18 LEU HB3 H 1 1.39 0.003 . 2 . . . . . . . . 6874 1
176 . 1 1 18 18 LEU CG C 13 26.9 0.000 . 1 . . . . . . . . 6874 1
177 . 1 1 18 18 LEU HG H 1 1.77 0.006 . 1 . . . . . . . . 6874 1
178 . 1 1 18 18 LEU HD11 H 1 0.82 0.001 . 2 . . . . . . . . 6874 1
179 . 1 1 18 18 LEU HD12 H 1 0.82 0.001 . 2 . . . . . . . . 6874 1
180 . 1 1 18 18 LEU HD13 H 1 0.82 0.001 . 2 . . . . . . . . 6874 1
181 . 1 1 18 18 LEU HD21 H 1 0.79 0.002 . 2 . . . . . . . . 6874 1
182 . 1 1 18 18 LEU HD22 H 1 0.79 0.002 . 2 . . . . . . . . 6874 1
183 . 1 1 18 18 LEU HD23 H 1 0.79 0.002 . 2 . . . . . . . . 6874 1
184 . 1 1 18 18 LEU CD1 C 13 26.2 0.000 . 1 . . . . . . . . 6874 1
185 . 1 1 18 18 LEU CD2 C 13 26.4 0.000 . 1 . . . . . . . . 6874 1
186 . 1 1 19 19 LYS N N 15 116.5 0.000 . 1 . . . . . . . . 6874 1
187 . 1 1 19 19 LYS H H 1 7.39 0.000 . 1 . . . . . . . . 6874 1
188 . 1 1 19 19 LYS CA C 13 57.0 0.080 . 1 . . . . . . . . 6874 1
189 . 1 1 19 19 LYS HA H 1 4.31 0.002 . 1 . . . . . . . . 6874 1
190 . 1 1 19 19 LYS CB C 13 32.7 0.000 . 1 . . . . . . . . 6874 1
191 . 1 1 19 19 LYS HB2 H 1 2.01 0.002 . 2 . . . . . . . . 6874 1
192 . 1 1 19 19 LYS HB3 H 1 1.76 0.001 . 2 . . . . . . . . 6874 1
193 . 1 1 19 19 LYS CG C 13 25.9 0.000 . 1 . . . . . . . . 6874 1
194 . 1 1 19 19 LYS HG2 H 1 1.51 0.002 . 2 . . . . . . . . 6874 1
195 . 1 1 19 19 LYS HG3 H 1 1.43 0.001 . 2 . . . . . . . . 6874 1
196 . 1 1 19 19 LYS CD C 13 29.3 0.000 . 1 . . . . . . . . 6874 1
197 . 1 1 19 19 LYS HD2 H 1 1.62 0.003 . 2 . . . . . . . . 6874 1
198 . 1 1 19 19 LYS HD3 H 1 1.61 0.002 . 2 . . . . . . . . 6874 1
199 . 1 1 19 19 LYS CE C 13 41.9 0.000 . 1 . . . . . . . . 6874 1
200 . 1 1 19 19 LYS HE2 H 1 2.90 0.003 . 2 . . . . . . . . 6874 1
201 . 1 1 19 19 LYS HE3 H 1 2.79 0.004 . 2 . . . . . . . . 6874 1
202 . 1 1 20 20 SER N N 15 117.9 0.000 . 1 . . . . . . . . 6874 1
203 . 1 1 20 20 SER H H 1 7.41 0.000 . 1 . . . . . . . . 6874 1
204 . 1 1 20 20 SER CA C 13 58.0 0.000 . 1 . . . . . . . . 6874 1
205 . 1 1 20 20 SER HA H 1 4.74 0.000 . 1 . . . . . . . . 6874 1
206 . 1 1 20 20 SER CB C 13 62.7 0.000 . 1 . . . . . . . . 6874 1
207 . 1 1 20 20 SER HB2 H 1 4.10 0.000 . 2 . . . . . . . . 6874 1
208 . 1 1 20 20 SER HB3 H 1 4.02 0.001 . 2 . . . . . . . . 6874 1
209 . 1 1 21 21 PRO CD C 13 50.5 0.000 . 1 . . . . . . . . 6874 1
210 . 1 1 21 21 PRO CA C 13 63.0 0.000 . 1 . . . . . . . . 6874 1
211 . 1 1 21 21 PRO HA H 1 4.36 0.002 . 1 . . . . . . . . 6874 1
212 . 1 1 21 21 PRO CB C 13 32.0 0.000 . 1 . . . . . . . . 6874 1
213 . 1 1 21 21 PRO HB2 H 1 2.36 0.002 . 2 . . . . . . . . 6874 1
214 . 1 1 21 21 PRO HB3 H 1 1.83 0.002 . 2 . . . . . . . . 6874 1
215 . 1 1 21 21 PRO CG C 13 27.7 0.000 . 1 . . . . . . . . 6874 1
216 . 1 1 21 21 PRO HG2 H 1 2.11 0.002 . 2 . . . . . . . . 6874 1
217 . 1 1 21 21 PRO HG3 H 1 2.10 0.000 . 2 . . . . . . . . 6874 1
218 . 1 1 21 21 PRO HD2 H 1 3.91 0.004 . 2 . . . . . . . . 6874 1
219 . 1 1 21 21 PRO HD3 H 1 3.63 0.000 . 2 . . . . . . . . 6874 1
220 . 1 1 22 22 SER N N 15 117.4 0.000 . 1 . . . . . . . . 6874 1
221 . 1 1 22 22 SER H H 1 8.45 0.001 . 1 . . . . . . . . 6874 1
222 . 1 1 22 22 SER CA C 13 59.0 0.000 . 1 . . . . . . . . 6874 1
223 . 1 1 22 22 SER HA H 1 4.30 0.000 . 1 . . . . . . . . 6874 1
224 . 1 1 22 22 SER CB C 13 63.1 0.030 . 1 . . . . . . . . 6874 1
225 . 1 1 22 22 SER HB2 H 1 3.90 0.001 . 2 . . . . . . . . 6874 1
226 . 1 1 22 22 SER HB3 H 1 3.84 0.000 . 2 . . . . . . . . 6874 1
227 . 1 1 23 23 SER N N 15 119.8 0.000 . 1 . . . . . . . . 6874 1
228 . 1 1 23 23 SER H H 1 7.84 0.003 . 1 . . . . . . . . 6874 1
229 . 1 1 23 23 SER CA C 13 56.9 0.000 . 1 . . . . . . . . 6874 1
230 . 1 1 23 23 SER HA H 1 4.89 0.001 . 1 . . . . . . . . 6874 1
231 . 1 1 23 23 SER CB C 13 63.0 0.000 . 1 . . . . . . . . 6874 1
232 . 1 1 23 23 SER HB2 H 1 4.24 0.003 . 2 . . . . . . . . 6874 1
233 . 1 1 23 23 SER HB3 H 1 4.12 0.004 . 2 . . . . . . . . 6874 1
234 . 1 1 24 24 PRO CD C 13 50.5 0.000 . 1 . . . . . . . . 6874 1
235 . 1 1 24 24 PRO CA C 13 65.5 0.013 . 1 . . . . . . . . 6874 1
236 . 1 1 24 24 PRO HA H 1 4.39 0.001 . 1 . . . . . . . . 6874 1
237 . 1 1 24 24 PRO CB C 13 31.8 0.000 . 1 . . . . . . . . 6874 1
238 . 1 1 24 24 PRO HB2 H 1 2.46 0.001 . 2 . . . . . . . . 6874 1
239 . 1 1 24 24 PRO HB3 H 1 1.95 0.002 . 2 . . . . . . . . 6874 1
240 . 1 1 24 24 PRO CG C 13 28.0 0.000 . 1 . . . . . . . . 6874 1
241 . 1 1 24 24 PRO HG2 H 1 2.21 0.001 . 2 . . . . . . . . 6874 1
242 . 1 1 24 24 PRO HG3 H 1 2.06 0.000 . 2 . . . . . . . . 6874 1
243 . 1 1 24 24 PRO HD2 H 1 3.92 0.003 . 1 . . . . . . . . 6874 1
244 . 1 1 24 24 PRO HD3 H 1 3.92 0.000 . 1 . . . . . . . . 6874 1
245 . 1 1 25 25 GLN N N 15 117.2 0.000 . 1 . . . . . . . . 6874 1
246 . 1 1 25 25 GLN H H 1 8.24 0.000 . 1 . . . . . . . . 6874 1
247 . 1 1 25 25 GLN CA C 13 59.0 0.000 . 1 . . . . . . . . 6874 1
248 . 1 1 25 25 GLN HA H 1 4.11 0.002 . 1 . . . . . . . . 6874 1
249 . 1 1 25 25 GLN CB C 13 27.7 0.006 . 1 . . . . . . . . 6874 1
250 . 1 1 25 25 GLN HB2 H 1 2.11 0.001 . 2 . . . . . . . . 6874 1
251 . 1 1 25 25 GLN HB3 H 1 2.02 0.002 . 2 . . . . . . . . 6874 1
252 . 1 1 25 25 GLN CG C 13 34.2 0.000 . 1 . . . . . . . . 6874 1
253 . 1 1 25 25 GLN HG2 H 1 2.48 0.002 . 2 . . . . . . . . 6874 1
254 . 1 1 25 25 GLN HG3 H 1 2.41 0.000 . 2 . . . . . . . . 6874 1
255 . 1 1 26 26 GLN N N 15 124.4 0.000 . 1 . . . . . . . . 6874 1
256 . 1 1 26 26 GLN H H 1 8.05 0.000 . 1 . . . . . . . . 6874 1
257 . 1 1 26 26 GLN CA C 13 59.1 0.002 . 1 . . . . . . . . 6874 1
258 . 1 1 26 26 GLN CB C 13 27.1 0.020 . 1 . . . . . . . . 6874 1
259 . 1 1 27 27 GLN N N 15 119.5 0.000 . 1 . . . . . . . . 6874 1
260 . 1 1 27 27 GLN H H 1 8.33 0.000 . 1 . . . . . . . . 6874 1
261 . 1 1 27 27 GLN CA C 13 59.3 0.000 . 1 . . . . . . . . 6874 1
262 . 1 1 27 27 GLN HA H 1 3.73 0.001 . 1 . . . . . . . . 6874 1
263 . 1 1 27 27 GLN CB C 13 28.0 0.000 . 1 . . . . . . . . 6874 1
264 . 1 1 27 27 GLN HB2 H 1 2.28 0.004 . 2 . . . . . . . . 6874 1
265 . 1 1 27 27 GLN HB3 H 1 1.95 0.001 . 2 . . . . . . . . 6874 1
266 . 1 1 27 27 GLN CG C 13 34.3 0.000 . 1 . . . . . . . . 6874 1
267 . 1 1 27 27 GLN HG2 H 1 2.59 0.001 . 2 . . . . . . . . 6874 1
268 . 1 1 27 27 GLN HG3 H 1 2.27 0.004 . 2 . . . . . . . . 6874 1
269 . 1 1 28 28 GLN N N 15 117.9 0.000 . 1 . . . . . . . . 6874 1
270 . 1 1 28 28 GLN H H 1 7.89 0.002 . 1 . . . . . . . . 6874 1
271 . 1 1 28 28 GLN CA C 13 58.3 0.000 . 1 . . . . . . . . 6874 1
272 . 1 1 28 28 GLN HA H 1 3.93 0.001 . 1 . . . . . . . . 6874 1
273 . 1 1 28 28 GLN CB C 13 28.0 0.000 . 1 . . . . . . . . 6874 1
274 . 1 1 28 28 GLN HB2 H 1 2.17 0.002 . 1 . . . . . . . . 6874 1
275 . 1 1 28 28 GLN HB3 H 1 2.17 0.000 . 1 . . . . . . . . 6874 1
276 . 1 1 28 28 GLN CG C 13 33.9 0.000 . 1 . . . . . . . . 6874 1
277 . 1 1 28 28 GLN HG2 H 1 2.44 0.003 . 2 . . . . . . . . 6874 1
278 . 1 1 28 28 GLN HG3 H 1 2.43 0.001 . 2 . . . . . . . . 6874 1
279 . 1 1 29 29 GLN N N 15 119.8 0.000 . 1 . . . . . . . . 6874 1
280 . 1 1 29 29 GLN H H 1 7.97 0.000 . 1 . . . . . . . . 6874 1
281 . 1 1 29 29 GLN CA C 13 59.1 0.000 . 1 . . . . . . . . 6874 1
282 . 1 1 29 29 GLN HA H 1 4.13 0.000 . 1 . . . . . . . . 6874 1
283 . 1 1 29 29 GLN CB C 13 28.3 0.000 . 1 . . . . . . . . 6874 1
284 . 1 1 29 29 GLN HB2 H 1 2.30 0.002 . 2 . . . . . . . . 6874 1
285 . 1 1 29 29 GLN HB3 H 1 2.11 0.000 . 2 . . . . . . . . 6874 1
286 . 1 1 29 29 GLN CG C 13 33.9 0.000 . 1 . . . . . . . . 6874 1
287 . 1 1 29 29 GLN HG2 H 1 2.51 0.001 . 2 . . . . . . . . 6874 1
288 . 1 1 29 29 GLN HG3 H 1 2.41 0.000 . 2 . . . . . . . . 6874 1
289 . 1 1 30 30 VAL N N 15 120.0 0.000 . 1 . . . . . . . . 6874 1
290 . 1 1 30 30 VAL H H 1 8.14 0.001 . 1 . . . . . . . . 6874 1
291 . 1 1 30 30 VAL CA C 13 67.4 0.000 . 1 . . . . . . . . 6874 1
292 . 1 1 30 30 VAL HA H 1 3.31 0.001 . 1 . . . . . . . . 6874 1
293 . 1 1 30 30 VAL CB C 13 31.2 0.000 . 1 . . . . . . . . 6874 1
294 . 1 1 30 30 VAL HB H 1 2.24 0.001 . 1 . . . . . . . . 6874 1
295 . 1 1 30 30 VAL HG11 H 1 0.96 0.003 . 2 . . . . . . . . 6874 1
296 . 1 1 30 30 VAL HG12 H 1 0.96 0.003 . 2 . . . . . . . . 6874 1
297 . 1 1 30 30 VAL HG13 H 1 0.96 0.003 . 2 . . . . . . . . 6874 1
298 . 1 1 30 30 VAL HG21 H 1 0.66 0.002 . 2 . . . . . . . . 6874 1
299 . 1 1 30 30 VAL HG22 H 1 0.66 0.002 . 2 . . . . . . . . 6874 1
300 . 1 1 30 30 VAL HG23 H 1 0.66 0.002 . 2 . . . . . . . . 6874 1
301 . 1 1 30 30 VAL CG1 C 13 23.4 0.000 . 1 . . . . . . . . 6874 1
302 . 1 1 30 30 VAL CG2 C 13 21.5 0.000 . 1 . . . . . . . . 6874 1
303 . 1 1 31 31 LEU N N 15 119.0 0.000 . 1 . . . . . . . . 6874 1
304 . 1 1 31 31 LEU H H 1 8.00 0.000 . 1 . . . . . . . . 6874 1
305 . 1 1 31 31 LEU CA C 13 58.4 0.000 . 1 . . . . . . . . 6874 1
306 . 1 1 31 31 LEU HA H 1 3.76 0.001 . 1 . . . . . . . . 6874 1
307 . 1 1 31 31 LEU CB C 13 41.1 0.000 . 1 . . . . . . . . 6874 1
308 . 1 1 31 31 LEU HB2 H 1 1.75 0.002 . 2 . . . . . . . . 6874 1
309 . 1 1 31 31 LEU HB3 H 1 1.59 0.002 . 2 . . . . . . . . 6874 1
310 . 1 1 31 31 LEU HG H 1 1.68 0.004 . 1 . . . . . . . . 6874 1
311 . 1 1 31 31 LEU HD11 H 1 0.85 0.005 . 2 . . . . . . . . 6874 1
312 . 1 1 31 31 LEU HD12 H 1 0.85 0.005 . 2 . . . . . . . . 6874 1
313 . 1 1 31 31 LEU HD13 H 1 0.85 0.005 . 2 . . . . . . . . 6874 1
314 . 1 1 31 31 LEU HD21 H 1 0.83 0.001 . 2 . . . . . . . . 6874 1
315 . 1 1 31 31 LEU HD22 H 1 0.83 0.001 . 2 . . . . . . . . 6874 1
316 . 1 1 31 31 LEU HD23 H 1 0.83 0.001 . 2 . . . . . . . . 6874 1
317 . 1 1 31 31 LEU CD1 C 13 24.5 0.000 . 1 . . . . . . . . 6874 1
318 . 1 1 31 31 LEU CD2 C 13 24.3 0.000 . 1 . . . . . . . . 6874 1
319 . 1 1 32 32 ASN N N 15 117.2 0.000 . 1 . . . . . . . . 6874 1
320 . 1 1 32 32 ASN H H 1 8.34 0.001 . 1 . . . . . . . . 6874 1
321 . 1 1 32 32 ASN CA C 13 56.1 0.000 . 1 . . . . . . . . 6874 1
322 . 1 1 32 32 ASN HA H 1 4.37 0.001 . 1 . . . . . . . . 6874 1
323 . 1 1 32 32 ASN CB C 13 37.9 0.000 . 1 . . . . . . . . 6874 1
324 . 1 1 32 32 ASN HB2 H 1 2.93 0.002 . 2 . . . . . . . . 6874 1
325 . 1 1 32 32 ASN HB3 H 1 2.82 0.002 . 2 . . . . . . . . 6874 1
326 . 1 1 32 32 ASN ND2 N 15 111.5 0.000 . 1 . . . . . . . . 6874 1
327 . 1 1 32 32 ASN HD21 H 1 7.55 0.000 . 2 . . . . . . . . 6874 1
328 . 1 1 32 32 ASN HD22 H 1 6.96 0.000 . 2 . . . . . . . . 6874 1
329 . 1 1 33 33 ILE N N 15 122.3 0.000 . 1 . . . . . . . . 6874 1
330 . 1 1 33 33 ILE H H 1 8.03 0.001 . 1 . . . . . . . . 6874 1
331 . 1 1 33 33 ILE CA C 13 65.5 0.000 . 1 . . . . . . . . 6874 1
332 . 1 1 33 33 ILE HA H 1 3.69 0.001 . 1 . . . . . . . . 6874 1
333 . 1 1 33 33 ILE CB C 13 38.2 0.000 . 1 . . . . . . . . 6874 1
334 . 1 1 33 33 ILE HB H 1 1.86 0.002 . 1 . . . . . . . . 6874 1
335 . 1 1 33 33 ILE HG21 H 1 0.86 0.001 . 1 . . . . . . . . 6874 1
336 . 1 1 33 33 ILE HG22 H 1 0.86 0.001 . 1 . . . . . . . . 6874 1
337 . 1 1 33 33 ILE HG23 H 1 0.86 0.001 . 1 . . . . . . . . 6874 1
338 . 1 1 33 33 ILE CG2 C 13 18.0 0.000 . 1 . . . . . . . . 6874 1
339 . 1 1 33 33 ILE CG1 C 13 28.8 0.000 . 1 . . . . . . . . 6874 1
340 . 1 1 33 33 ILE HG12 H 1 1.03 0.003 . 2 . . . . . . . . 6874 1
341 . 1 1 33 33 ILE HG13 H 1 1.02 0.004 . 2 . . . . . . . . 6874 1
342 . 1 1 33 33 ILE HD11 H 1 0.73 0.001 . 1 . . . . . . . . 6874 1
343 . 1 1 33 33 ILE HD12 H 1 0.73 0.001 . 1 . . . . . . . . 6874 1
344 . 1 1 33 33 ILE HD13 H 1 0.73 0.001 . 1 . . . . . . . . 6874 1
345 . 1 1 33 33 ILE CD1 C 13 14.0 0.000 . 1 . . . . . . . . 6874 1
346 . 1 1 34 34 LEU N N 15 120.0 0.000 . 1 . . . . . . . . 6874 1
347 . 1 1 34 34 LEU H H 1 8.27 0.000 . 1 . . . . . . . . 6874 1
348 . 1 1 34 34 LEU CA C 13 58.4 0.000 . 1 . . . . . . . . 6874 1
349 . 1 1 34 34 LEU HA H 1 3.89 0.001 . 1 . . . . . . . . 6874 1
350 . 1 1 34 34 LEU CB C 13 40.9 0.000 . 1 . . . . . . . . 6874 1
351 . 1 1 34 34 LEU HB2 H 1 1.87 0.002 . 2 . . . . . . . . 6874 1
352 . 1 1 34 34 LEU HB3 H 1 1.34 0.001 . 2 . . . . . . . . 6874 1
353 . 1 1 34 34 LEU CG C 13 25.9 0.000 . 1 . . . . . . . . 6874 1
354 . 1 1 34 34 LEU HG H 1 1.78 0.003 . 1 . . . . . . . . 6874 1
355 . 1 1 34 34 LEU HD11 H 1 0.55 0.002 . 2 . . . . . . . . 6874 1
356 . 1 1 34 34 LEU HD12 H 1 0.55 0.002 . 2 . . . . . . . . 6874 1
357 . 1 1 34 34 LEU HD13 H 1 0.55 0.002 . 2 . . . . . . . . 6874 1
358 . 1 1 34 34 LEU HD21 H 1 0.25 0.002 . 2 . . . . . . . . 6874 1
359 . 1 1 34 34 LEU HD22 H 1 0.25 0.002 . 2 . . . . . . . . 6874 1
360 . 1 1 34 34 LEU HD23 H 1 0.25 0.002 . 2 . . . . . . . . 6874 1
361 . 1 1 34 34 LEU CD1 C 13 22.7 0.000 . 1 . . . . . . . . 6874 1
362 . 1 1 34 34 LEU CD2 C 13 25.9 0.000 . 1 . . . . . . . . 6874 1
363 . 1 1 35 35 LYS N N 15 116.5 0.000 . 1 . . . . . . . . 6874 1
364 . 1 1 35 35 LYS H H 1 8.67 0.000 . 1 . . . . . . . . 6874 1
365 . 1 1 35 35 LYS CA C 13 59.0 0.000 . 1 . . . . . . . . 6874 1
366 . 1 1 35 35 LYS HA H 1 3.94 0.002 . 1 . . . . . . . . 6874 1
367 . 1 1 35 35 LYS CB C 13 32.3 0.000 . 1 . . . . . . . . 6874 1
368 . 1 1 35 35 LYS HB2 H 1 1.87 0.003 . 1 . . . . . . . . 6874 1
369 . 1 1 35 35 LYS HB3 H 1 1.87 0.000 . 1 . . . . . . . . 6874 1
370 . 1 1 35 35 LYS CG C 13 25.9 0.000 . 1 . . . . . . . . 6874 1
371 . 1 1 35 35 LYS HG2 H 1 1.61 0.001 . 2 . . . . . . . . 6874 1
372 . 1 1 35 35 LYS HG3 H 1 1.40 0.002 . 2 . . . . . . . . 6874 1
373 . 1 1 35 35 LYS CD C 13 29.3 0.000 . 1 . . . . . . . . 6874 1
374 . 1 1 35 35 LYS HD2 H 1 1.64 0.002 . 2 . . . . . . . . 6874 1
375 . 1 1 35 35 LYS HD3 H 1 1.65 0.000 . 2 . . . . . . . . 6874 1
376 . 1 1 35 35 LYS CE C 13 41.8 0.055 . 1 . . . . . . . . 6874 1
377 . 1 1 35 35 LYS HE2 H 1 2.90 0.003 . 1 . . . . . . . . 6874 1
378 . 1 1 35 35 LYS HE3 H 1 2.90 0.001 . 1 . . . . . . . . 6874 1
379 . 1 1 36 36 SER N N 15 111.8 0.000 . 1 . . . . . . . . 6874 1
380 . 1 1 36 36 SER H H 1 7.49 0.000 . 1 . . . . . . . . 6874 1
381 . 1 1 36 36 SER CA C 13 59.4 0.000 . 1 . . . . . . . . 6874 1
382 . 1 1 36 36 SER HA H 1 4.50 0.000 . 1 . . . . . . . . 6874 1
383 . 1 1 36 36 SER CB C 13 64.2 0.000 . 1 . . . . . . . . 6874 1
384 . 1 1 36 36 SER HB2 H 1 4.00 0.000 . 1 . . . . . . . . 6874 1
385 . 1 1 36 36 SER HB3 H 1 4.00 0.000 . 1 . . . . . . . . 6874 1
386 . 1 1 37 37 ASN N N 15 118.8 0.000 . 1 . . . . . . . . 6874 1
387 . 1 1 37 37 ASN H H 1 7.36 0.000 . 1 . . . . . . . . 6874 1
388 . 1 1 37 37 ASN CA C 13 51.5 0.000 . 1 . . . . . . . . 6874 1
389 . 1 1 37 37 ASN HA H 1 5.33 0.001 . 1 . . . . . . . . 6874 1
390 . 1 1 37 37 ASN CB C 13 41.4 0.000 . 1 . . . . . . . . 6874 1
391 . 1 1 37 37 ASN HB2 H 1 2.79 0.003 . 2 . . . . . . . . 6874 1
392 . 1 1 37 37 ASN HB3 H 1 2.59 0.002 . 2 . . . . . . . . 6874 1
393 . 1 1 38 38 PRO CD C 13 50.5 0.000 . 1 . . . . . . . . 6874 1
394 . 1 1 38 38 PRO CA C 13 65.8 0.000 . 1 . . . . . . . . 6874 1
395 . 1 1 38 38 PRO HA H 1 4.41 0.002 . 1 . . . . . . . . 6874 1
396 . 1 1 38 38 PRO CB C 13 32.3 0.000 . 1 . . . . . . . . 6874 1
397 . 1 1 38 38 PRO HB2 H 1 2.42 0.005 . 2 . . . . . . . . 6874 1
398 . 1 1 38 38 PRO HB3 H 1 2.00 0.002 . 2 . . . . . . . . 6874 1
399 . 1 1 38 38 PRO CG C 13 27.5 0.027 . 1 . . . . . . . . 6874 1
400 . 1 1 38 38 PRO HG2 H 1 2.16 0.002 . 2 . . . . . . . . 6874 1
401 . 1 1 38 38 PRO HG3 H 1 2.07 0.001 . 2 . . . . . . . . 6874 1
402 . 1 1 38 38 PRO HD2 H 1 3.92 0.003 . 2 . . . . . . . . 6874 1
403 . 1 1 38 38 PRO HD3 H 1 3.62 0.002 . 2 . . . . . . . . 6874 1
404 . 1 1 39 39 GLN N N 15 118.3 0.000 . 1 . . . . . . . . 6874 1
405 . 1 1 39 39 GLN H H 1 8.97 0.000 . 1 . . . . . . . . 6874 1
406 . 1 1 39 39 GLN CA C 13 59.0 0.000 . 1 . . . . . . . . 6874 1
407 . 1 1 39 39 GLN HA H 1 4.21 0.001 . 1 . . . . . . . . 6874 1
408 . 1 1 39 39 GLN CB C 13 28.3 0.000 . 1 . . . . . . . . 6874 1
409 . 1 1 39 39 GLN HB2 H 1 2.11 0.001 . 2 . . . . . . . . 6874 1
410 . 1 1 39 39 GLN HB3 H 1 2.05 0.002 . 2 . . . . . . . . 6874 1
411 . 1 1 39 39 GLN CG C 13 34.2 0.000 . 1 . . . . . . . . 6874 1
412 . 1 1 39 39 GLN HG2 H 1 2.47 0.002 . 2 . . . . . . . . 6874 1
413 . 1 1 39 39 GLN HG3 H 1 2.42 0.002 . 2 . . . . . . . . 6874 1
414 . 1 1 40 40 LEU N N 15 121.9 0.000 . 1 . . . . . . . . 6874 1
415 . 1 1 40 40 LEU H H 1 7.85 0.000 . 1 . . . . . . . . 6874 1
416 . 1 1 40 40 LEU CA C 13 56.9 0.000 . 1 . . . . . . . . 6874 1
417 . 1 1 40 40 LEU HA H 1 4.21 0.003 . 1 . . . . . . . . 6874 1
418 . 1 1 40 40 LEU CB C 13 41.7 0.000 . 1 . . . . . . . . 6874 1
419 . 1 1 40 40 LEU HB2 H 1 1.77 0.012 . 2 . . . . . . . . 6874 1
420 . 1 1 40 40 LEU CG C 13 26.9 0.000 . 1 . . . . . . . . 6874 1
421 . 1 1 40 40 LEU HG H 1 1.66 0.000 . 1 . . . . . . . . 6874 1
422 . 1 1 40 40 LEU HD11 H 1 0.87 0.000 . 2 . . . . . . . . 6874 1
423 . 1 1 40 40 LEU HD12 H 1 0.87 0.000 . 2 . . . . . . . . 6874 1
424 . 1 1 40 40 LEU HD13 H 1 0.87 0.000 . 2 . . . . . . . . 6874 1
425 . 1 1 40 40 LEU HD21 H 1 0.81 0.002 . 2 . . . . . . . . 6874 1
426 . 1 1 40 40 LEU HD22 H 1 0.81 0.002 . 2 . . . . . . . . 6874 1
427 . 1 1 40 40 LEU HD23 H 1 0.81 0.002 . 2 . . . . . . . . 6874 1
428 . 1 1 40 40 LEU CD2 C 13 24.8 0.000 . 1 . . . . . . . . 6874 1
429 . 1 1 41 41 MET N N 15 119.8 0.000 . 1 . . . . . . . . 6874 1
430 . 1 1 41 41 MET H H 1 8.21 0.000 . 1 . . . . . . . . 6874 1
431 . 1 1 42 42 ALA N N 15 120.0 0.000 . 1 . . . . . . . . 6874 1
432 . 1 1 42 42 ALA H H 1 8.17 0.001 . 1 . . . . . . . . 6874 1
433 . 1 1 42 42 ALA CA C 13 55.2 0.000 . 1 . . . . . . . . 6874 1
434 . 1 1 42 42 ALA HA H 1 4.04 0.000 . 1 . . . . . . . . 6874 1
435 . 1 1 42 42 ALA HB1 H 1 1.51 0.002 . 1 . . . . . . . . 6874 1
436 . 1 1 42 42 ALA HB2 H 1 1.51 0.002 . 1 . . . . . . . . 6874 1
437 . 1 1 42 42 ALA HB3 H 1 1.51 0.002 . 1 . . . . . . . . 6874 1
438 . 1 1 42 42 ALA CB C 13 18.1 0.000 . 1 . . . . . . . . 6874 1
439 . 1 1 43 43 ALA N N 15 120.9 0.000 . 1 . . . . . . . . 6874 1
440 . 1 1 43 43 ALA H H 1 7.55 0.000 . 1 . . . . . . . . 6874 1
441 . 1 1 43 43 ALA CA C 13 54.9 0.000 . 1 . . . . . . . . 6874 1
442 . 1 1 43 43 ALA HA H 1 4.13 0.000 . 1 . . . . . . . . 6874 1
443 . 1 1 43 43 ALA HB1 H 1 1.52 0.000 . 1 . . . . . . . . 6874 1
444 . 1 1 43 43 ALA HB2 H 1 1.52 0.000 . 1 . . . . . . . . 6874 1
445 . 1 1 43 43 ALA HB3 H 1 1.52 0.000 . 1 . . . . . . . . 6874 1
446 . 1 1 43 43 ALA CB C 13 18.1 0.000 . 1 . . . . . . . . 6874 1
447 . 1 1 44 44 PHE N N 15 120.5 0.000 . 1 . . . . . . . . 6874 1
448 . 1 1 44 44 PHE H H 1 8.58 0.000 . 1 . . . . . . . . 6874 1
449 . 1 1 44 44 PHE CA C 13 62.3 0.000 . 1 . . . . . . . . 6874 1
450 . 1 1 44 44 PHE HA H 1 3.87 0.000 . 1 . . . . . . . . 6874 1
451 . 1 1 44 44 PHE CB C 13 40.2 0.000 . 1 . . . . . . . . 6874 1
452 . 1 1 44 44 PHE HB2 H 1 3.44 0.000 . 2 . . . . . . . . 6874 1
453 . 1 1 44 44 PHE HB3 H 1 2.98 0.002 . 2 . . . . . . . . 6874 1
454 . 1 1 44 44 PHE HD1 H 1 6.98 0.000 . 1 . . . . . . . . 6874 1
455 . 1 1 44 44 PHE HD2 H 1 6.98 0.000 . 1 . . . . . . . . 6874 1
456 . 1 1 44 44 PHE HE1 H 1 7.20 0.001 . 1 . . . . . . . . 6874 1
457 . 1 1 44 44 PHE HE2 H 1 7.20 0.001 . 1 . . . . . . . . 6874 1
458 . 1 1 45 45 ILE N N 15 118.8 0.000 . 1 . . . . . . . . 6874 1
459 . 1 1 45 45 ILE H H 1 8.80 0.001 . 1 . . . . . . . . 6874 1
460 . 1 1 45 45 ILE CA C 13 65.8 0.000 . 1 . . . . . . . . 6874 1
461 . 1 1 45 45 ILE HA H 1 3.46 0.001 . 1 . . . . . . . . 6874 1
462 . 1 1 45 45 ILE CB C 13 37.9 0.000 . 1 . . . . . . . . 6874 1
463 . 1 1 45 45 ILE HB H 1 1.96 0.008 . 1 . . . . . . . . 6874 1
464 . 1 1 45 45 ILE HG21 H 1 0.85 0.001 . 1 . . . . . . . . 6874 1
465 . 1 1 45 45 ILE HG22 H 1 0.85 0.001 . 1 . . . . . . . . 6874 1
466 . 1 1 45 45 ILE HG23 H 1 0.85 0.001 . 1 . . . . . . . . 6874 1
467 . 1 1 45 45 ILE CG2 C 13 17.5 0.064 . 1 . . . . . . . . 6874 1
468 . 1 1 45 45 ILE CG1 C 13 29.9 0.013 . 1 . . . . . . . . 6874 1
469 . 1 1 45 45 ILE HG12 H 1 1.13 0.001 . 1 . . . . . . . . 6874 1
470 . 1 1 45 45 ILE HG13 H 1 1.13 0.001 . 1 . . . . . . . . 6874 1
471 . 1 1 45 45 ILE HD11 H 1 0.91 0.003 . 1 . . . . . . . . 6874 1
472 . 1 1 45 45 ILE HD12 H 1 0.91 0.003 . 1 . . . . . . . . 6874 1
473 . 1 1 45 45 ILE HD13 H 1 0.91 0.003 . 1 . . . . . . . . 6874 1
474 . 1 1 45 45 ILE CD1 C 13 13.8 0.000 . 1 . . . . . . . . 6874 1
475 . 1 1 46 46 LYS N N 15 121.6 0.000 . 1 . . . . . . . . 6874 1
476 . 1 1 46 46 LYS H H 1 8.14 0.003 . 1 . . . . . . . . 6874 1
477 . 1 1 46 46 LYS CA C 13 59.9 0.000 . 1 . . . . . . . . 6874 1
478 . 1 1 46 46 LYS HA H 1 3.93 0.003 . 1 . . . . . . . . 6874 1
479 . 1 1 46 46 LYS CB C 13 32.2 0.096 . 1 . . . . . . . . 6874 1
480 . 1 1 46 46 LYS HB2 H 1 1.94 0.002 . 2 . . . . . . . . 6874 1
481 . 1 1 46 46 LYS HB3 H 1 1.87 0.000 . 2 . . . . . . . . 6874 1
482 . 1 1 46 46 LYS CG C 13 25.1 0.000 . 1 . . . . . . . . 6874 1
483 . 1 1 46 46 LYS HG2 H 1 1.52 0.004 . 2 . . . . . . . . 6874 1
484 . 1 1 46 46 LYS HG3 H 1 1.38 0.003 . 2 . . . . . . . . 6874 1
485 . 1 1 46 46 LYS CD C 13 29.3 0.000 . 1 . . . . . . . . 6874 1
486 . 1 1 46 46 LYS HD2 H 1 1.68 0.002 . 2 . . . . . . . . 6874 1
487 . 1 1 46 46 LYS HD3 H 1 1.66 0.000 . 2 . . . . . . . . 6874 1
488 . 1 1 46 46 LYS CE C 13 41.9 0.000 . 1 . . . . . . . . 6874 1
489 . 1 1 46 46 LYS HE2 H 1 2.94 0.002 . 1 . . . . . . . . 6874 1
490 . 1 1 46 46 LYS HE3 H 1 2.94 0.000 . 1 . . . . . . . . 6874 1
491 . 1 1 47 47 GLN N N 15 117.6 0.000 . 1 . . . . . . . . 6874 1
492 . 1 1 47 47 GLN H H 1 7.66 0.000 . 1 . . . . . . . . 6874 1
493 . 1 1 47 47 GLN CA C 13 58.3 0.000 . 1 . . . . . . . . 6874 1
494 . 1 1 47 47 GLN HA H 1 4.04 0.002 . 1 . . . . . . . . 6874 1
495 . 1 1 47 47 GLN CB C 13 27.1 0.000 . 1 . . . . . . . . 6874 1
496 . 1 1 47 47 GLN HB2 H 1 2.11 0.001 . 2 . . . . . . . . 6874 1
497 . 1 1 47 47 GLN HB3 H 1 1.88 0.000 . 2 . . . . . . . . 6874 1
498 . 1 1 47 47 GLN CG C 13 33.9 0.000 . 1 . . . . . . . . 6874 1
499 . 1 1 47 47 GLN HG2 H 1 2.46 0.002 . 2 . . . . . . . . 6874 1
500 . 1 1 47 47 GLN HG3 H 1 2.22 0.002 . 2 . . . . . . . . 6874 1
501 . 1 1 48 48 ARG N N 15 117.4 0.000 . 1 . . . . . . . . 6874 1
502 . 1 1 48 48 ARG H H 1 8.14 0.002 . 1 . . . . . . . . 6874 1
503 . 1 1 48 48 ARG CA C 13 56.4 0.000 . 1 . . . . . . . . 6874 1
504 . 1 1 48 48 ARG HA H 1 4.30 0.000 . 1 . . . . . . . . 6874 1
505 . 1 1 48 48 ARG CB C 13 28.8 0.000 . 1 . . . . . . . . 6874 1
506 . 1 1 48 48 ARG HB2 H 1 1.66 0.005 . 2 . . . . . . . . 6874 1
507 . 1 1 48 48 ARG HB3 H 1 1.67 0.000 . 2 . . . . . . . . 6874 1
508 . 1 1 48 48 ARG CG C 13 25.1 0.000 . 1 . . . . . . . . 6874 1
509 . 1 1 48 48 ARG HG2 H 1 1.49 0.000 . 2 . . . . . . . . 6874 1
510 . 1 1 48 48 ARG HG3 H 1 1.42 0.002 . 2 . . . . . . . . 6874 1
511 . 1 1 48 48 ARG CD C 13 41.9 0.000 . 1 . . . . . . . . 6874 1
512 . 1 1 48 48 ARG HD2 H 1 2.97 0.003 . 1 . . . . . . . . 6874 1
513 . 1 1 48 48 ARG HD3 H 1 2.97 0.000 . 1 . . . . . . . . 6874 1
514 . 1 1 49 49 THR N N 15 110.6 0.000 . 1 . . . . . . . . 6874 1
515 . 1 1 49 49 THR H H 1 8.18 0.000 . 1 . . . . . . . . 6874 1
516 . 1 1 49 49 THR CA C 13 64.4 0.000 . 1 . . . . . . . . 6874 1
517 . 1 1 49 49 THR HA H 1 4.11 0.001 . 1 . . . . . . . . 6874 1
518 . 1 1 49 49 THR CB C 13 69.3 0.013 . 1 . . . . . . . . 6874 1
519 . 1 1 49 49 THR HB H 1 4.31 0.003 . 1 . . . . . . . . 6874 1
520 . 1 1 49 49 THR HG21 H 1 1.22 0.001 . 1 . . . . . . . . 6874 1
521 . 1 1 49 49 THR HG22 H 1 1.22 0.001 . 1 . . . . . . . . 6874 1
522 . 1 1 49 49 THR HG23 H 1 1.22 0.001 . 1 . . . . . . . . 6874 1
523 . 1 1 49 49 THR CG2 C 13 21.8 0.000 . 1 . . . . . . . . 6874 1
524 . 1 1 50 50 ALA N N 15 124.2 0.000 . 1 . . . . . . . . 6874 1
525 . 1 1 50 50 ALA H H 1 7.46 0.001 . 1 . . . . . . . . 6874 1
526 . 1 1 50 50 ALA CA C 13 54.5 0.000 . 1 . . . . . . . . 6874 1
527 . 1 1 50 50 ALA HA H 1 4.16 0.000 . 1 . . . . . . . . 6874 1
528 . 1 1 50 50 ALA HB1 H 1 1.46 0.000 . 1 . . . . . . . . 6874 1
529 . 1 1 50 50 ALA HB2 H 1 1.46 0.000 . 1 . . . . . . . . 6874 1
530 . 1 1 50 50 ALA HB3 H 1 1.46 0.000 . 1 . . . . . . . . 6874 1
531 . 1 1 50 50 ALA CB C 13 18.0 0.000 . 1 . . . . . . . . 6874 1
532 . 1 1 51 51 LYS N N 15 117.4 0.000 . 1 . . . . . . . . 6874 1
533 . 1 1 51 51 LYS H H 1 7.73 0.000 . 1 . . . . . . . . 6874 1
534 . 1 1 51 51 LYS CA C 13 56.9 0.000 . 1 . . . . . . . . 6874 1
535 . 1 1 51 51 LYS HA H 1 4.11 0.000 . 1 . . . . . . . . 6874 1
536 . 1 1 51 51 LYS CB C 13 31.8 0.000 . 1 . . . . . . . . 6874 1
537 . 1 1 51 51 LYS HB2 H 1 1.72 0.002 . 1 . . . . . . . . 6874 1
538 . 1 1 51 51 LYS HB3 H 1 1.72 0.002 . 1 . . . . . . . . 6874 1
539 . 1 1 51 51 LYS CG C 13 24.3 0.000 . 1 . . . . . . . . 6874 1
540 . 1 1 51 51 LYS HG2 H 1 1.26 0.002 . 2 . . . . . . . . 6874 1
541 . 1 1 51 51 LYS HG3 H 1 1.20 0.002 . 2 . . . . . . . . 6874 1
542 . 1 1 51 51 LYS CD C 13 28.5 0.000 . 1 . . . . . . . . 6874 1
543 . 1 1 51 51 LYS HD2 H 1 1.55 0.004 . 1 . . . . . . . . 6874 1
544 . 1 1 51 51 LYS HD3 H 1 1.55 0.002 . 1 . . . . . . . . 6874 1
545 . 1 1 51 51 LYS CE C 13 41.8 0.000 . 1 . . . . . . . . 6874 1
546 . 1 1 51 51 LYS HE2 H 1 2.90 0.001 . 1 . . . . . . . . 6874 1
547 . 1 1 51 51 LYS HE3 H 1 2.90 0.001 . 1 . . . . . . . . 6874 1
548 . 1 1 52 52 TYR N N 15 119.8 0.000 . 1 . . . . . . . . 6874 1
549 . 1 1 52 52 TYR H H 1 7.84 0.001 . 1 . . . . . . . . 6874 1
550 . 1 1 52 52 TYR CA C 13 59.3 0.000 . 1 . . . . . . . . 6874 1
551 . 1 1 52 52 TYR HA H 1 4.40 0.000 . 1 . . . . . . . . 6874 1
552 . 1 1 52 52 TYR CB C 13 39.0 0.000 . 1 . . . . . . . . 6874 1
553 . 1 1 52 52 TYR HB2 H 1 3.12 0.000 . 2 . . . . . . . . 6874 1
554 . 1 1 52 52 TYR HB3 H 1 2.94 0.004 . 2 . . . . . . . . 6874 1
555 . 1 1 52 52 TYR HD1 H 1 7.11 0.000 . 1 . . . . . . . . 6874 1
556 . 1 1 52 52 TYR HD2 H 1 7.11 0.000 . 1 . . . . . . . . 6874 1
557 . 1 1 52 52 TYR HE1 H 1 6.77 0.000 . 1 . . . . . . . . 6874 1
558 . 1 1 52 52 TYR HE2 H 1 6.77 0.000 . 1 . . . . . . . . 6874 1
559 . 1 1 53 53 VAL N N 15 120.2 0.000 . 1 . . . . . . . . 6874 1
560 . 1 1 53 53 VAL H H 1 7.88 0.002 . 1 . . . . . . . . 6874 1
561 . 1 1 53 53 VAL CA C 13 63.0 0.000 . 1 . . . . . . . . 6874 1
562 . 1 1 53 53 VAL HA H 1 3.96 0.001 . 1 . . . . . . . . 6874 1
563 . 1 1 53 53 VAL CB C 13 32.5 0.075 . 1 . . . . . . . . 6874 1
564 . 1 1 53 53 VAL HB H 1 2.10 0.005 . 1 . . . . . . . . 6874 1
565 . 1 1 53 53 VAL HG11 H 1 0.99 0.001 . 2 . . . . . . . . 6874 1
566 . 1 1 53 53 VAL HG12 H 1 0.99 0.001 . 2 . . . . . . . . 6874 1
567 . 1 1 53 53 VAL HG13 H 1 0.99 0.001 . 2 . . . . . . . . 6874 1
568 . 1 1 53 53 VAL HG21 H 1 0.94 0.003 . 2 . . . . . . . . 6874 1
569 . 1 1 53 53 VAL HG22 H 1 0.94 0.003 . 2 . . . . . . . . 6874 1
570 . 1 1 53 53 VAL HG23 H 1 0.94 0.003 . 2 . . . . . . . . 6874 1
571 . 1 1 53 53 VAL CG1 C 13 21.3 0.000 . 1 . . . . . . . . 6874 1
572 . 1 1 53 53 VAL CG2 C 13 21.3 0.000 . 1 . . . . . . . . 6874 1
573 . 1 1 54 54 ALA N N 15 125.6 0.000 . 1 . . . . . . . . 6874 1
574 . 1 1 54 54 ALA H H 1 8.02 0.000 . 1 . . . . . . . . 6874 1
575 . 1 1 54 54 ALA CA C 13 52.9 0.000 . 1 . . . . . . . . 6874 1
576 . 1 1 54 54 ALA HA H 1 4.25 0.001 . 1 . . . . . . . . 6874 1
577 . 1 1 54 54 ALA HB1 H 1 1.41 0.002 . 1 . . . . . . . . 6874 1
578 . 1 1 54 54 ALA HB2 H 1 1.41 0.002 . 1 . . . . . . . . 6874 1
579 . 1 1 54 54 ALA HB3 H 1 1.41 0.002 . 1 . . . . . . . . 6874 1
580 . 1 1 54 54 ALA CB C 13 18.9 0.000 . 1 . . . . . . . . 6874 1
581 . 1 1 55 55 ASN N N 15 117.2 0.000 . 1 . . . . . . . . 6874 1
582 . 1 1 55 55 ASN H H 1 8.09 0.000 . 1 . . . . . . . . 6874 1
583 . 1 1 55 55 ASN CA C 13 52.9 0.000 . 1 . . . . . . . . 6874 1
584 . 1 1 55 55 ASN HA H 1 4.69 0.002 . 1 . . . . . . . . 6874 1
585 . 1 1 55 55 ASN CB C 13 39.0 0.000 . 1 . . . . . . . . 6874 1
586 . 1 1 55 55 ASN HB2 H 1 2.82 0.004 . 2 . . . . . . . . 6874 1
587 . 1 1 55 55 ASN HB3 H 1 2.72 0.002 . 2 . . . . . . . . 6874 1
588 . 1 1 55 55 ASN ND2 N 15 113.0 0.000 . 1 . . . . . . . . 6874 1
589 . 1 1 55 55 ASN HD21 H 1 7.63 0.001 . 2 . . . . . . . . 6874 1
590 . 1 1 55 55 ASN HD22 H 1 6.90 0.000 . 2 . . . . . . . . 6874 1
591 . 1 1 56 56 GLN N N 15 121.6 0.000 . 1 . . . . . . . . 6874 1
592 . 1 1 56 56 GLN H H 1 8.06 0.000 . 1 . . . . . . . . 6874 1
593 . 1 1 56 56 GLN CA C 13 53.7 0.000 . 1 . . . . . . . . 6874 1
594 . 1 1 56 56 GLN HA H 1 4.58 0.001 . 1 . . . . . . . . 6874 1
595 . 1 1 56 56 GLN CB C 13 28.8 0.000 . 1 . . . . . . . . 6874 1
596 . 1 1 56 56 GLN HB2 H 1 2.09 0.000 . 2 . . . . . . . . 6874 1
597 . 1 1 56 56 GLN HB3 H 1 1.95 0.001 . 2 . . . . . . . . 6874 1
598 . 1 1 56 56 GLN CG C 13 33.4 0.000 . 1 . . . . . . . . 6874 1
599 . 1 1 56 56 GLN HG2 H 1 2.36 0.001 . 1 . . . . . . . . 6874 1
600 . 1 1 56 56 GLN HG3 H 1 2.36 0.001 . 1 . . . . . . . . 6874 1
601 . 1 1 57 57 PRO CD C 13 50.5 0.000 . 1 . . . . . . . . 6874 1
602 . 1 1 57 57 PRO CA C 13 63.6 0.000 . 1 . . . . . . . . 6874 1
603 . 1 1 57 57 PRO HA H 1 4.41 0.002 . 1 . . . . . . . . 6874 1
604 . 1 1 57 57 PRO CB C 13 32.0 0.000 . 1 . . . . . . . . 6874 1
605 . 1 1 57 57 PRO HB2 H 1 2.30 0.002 . 2 . . . . . . . . 6874 1
606 . 1 1 57 57 PRO HB3 H 1 1.94 0.001 . 2 . . . . . . . . 6874 1
607 . 1 1 57 57 PRO CG C 13 27.5 0.000 . 1 . . . . . . . . 6874 1
608 . 1 1 57 57 PRO HG2 H 1 2.06 0.001 . 2 . . . . . . . . 6874 1
609 . 1 1 57 57 PRO HG3 H 1 2.01 0.002 . 2 . . . . . . . . 6874 1
610 . 1 1 57 57 PRO HD2 H 1 3.78 0.001 . 2 . . . . . . . . 6874 1
611 . 1 1 57 57 PRO HD3 H 1 3.66 0.001 . 2 . . . . . . . . 6874 1
612 . 1 1 58 58 GLY N N 15 109.7 0.000 . 1 . . . . . . . . 6874 1
613 . 1 1 58 58 GLY H H 1 8.53 0.000 . 1 . . . . . . . . 6874 1
614 . 1 1 58 58 GLY CA C 13 45.1 0.025 . 1 . . . . . . . . 6874 1
615 . 1 1 58 58 GLY HA2 H 1 3.96 0.000 . 1 . . . . . . . . 6874 1
616 . 1 1 58 58 GLY HA3 H 1 3.96 0.000 . 1 . . . . . . . . 6874 1
617 . 1 1 59 59 MET N N 15 120.2 0.000 . 1 . . . . . . . . 6874 1
618 . 1 1 59 59 MET H H 1 8.08 0.000 . 1 . . . . . . . . 6874 1
619 . 1 1 59 59 MET HB2 H 1 2.13 0.000 . 2 . . . . . . . . 6874 1
620 . 1 1 59 59 MET HB3 H 1 2.02 0.000 . 2 . . . . . . . . 6874 1
621 . 1 1 59 59 MET HG2 H 1 2.62 0.000 . 2 . . . . . . . . 6874 1
622 . 1 1 59 59 MET HG3 H 1 2.51 0.000 . 2 . . . . . . . . 6874 1
stop_
save_
save_chemical_shift_SRC1-AD1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_SRC1-AD1
_Assigned_chem_shift_list.Entry_ID 6874
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 $sample_1 . 6874 2
. . 2 $sample_2 . 6874 2
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 . 2 2 3 3 PRO CD C 13 49.6 0.000 . 1 . . . . . . . . 6874 2
2 . 2 2 3 3 PRO CA C 13 63.0 0.000 . 1 . . . . . . . . 6874 2
3 . 2 2 3 3 PRO HA H 1 4.53 0.001 . 1 . . . . . . . . 6874 2
4 . 2 2 3 3 PRO CB C 13 32.3 0.000 . 1 . . . . . . . . 6874 2
5 . 2 2 3 3 PRO HB2 H 1 2.31 0.001 . 2 . . . . . . . . 6874 2
6 . 2 2 3 3 PRO HB3 H 1 1.98 0.003 . 2 . . . . . . . . 6874 2
7 . 2 2 3 3 PRO CG C 13 27.1 0.000 . 1 . . . . . . . . 6874 2
8 . 2 2 3 3 PRO HG2 H 1 2.04 0.003 . 2 . . . . . . . . 6874 2
9 . 2 2 3 3 PRO HG3 H 1 2.03 0.003 . 2 . . . . . . . . 6874 2
10 . 2 2 3 3 PRO HD2 H 1 3.66 0.003 . 1 . . . . . . . . 6874 2
11 . 2 2 3 3 PRO HD3 H 1 3.66 0.002 . 1 . . . . . . . . 6874 2
12 . 2 2 4 4 THR N N 15 114.6 0.000 . 1 . . . . . . . . 6874 2
13 . 2 2 4 4 THR H H 1 8.37 0.001 . 1 . . . . . . . . 6874 2
14 . 2 2 4 4 THR CA C 13 61.8 0.000 . 1 . . . . . . . . 6874 2
15 . 2 2 4 4 THR HA H 1 4.42 0.001 . 1 . . . . . . . . 6874 2
16 . 2 2 4 4 THR CB C 13 69.8 0.000 . 1 . . . . . . . . 6874 2
17 . 2 2 4 4 THR HB H 1 4.25 0.000 . 1 . . . . . . . . 6874 2
18 . 2 2 4 4 THR HG21 H 1 1.23 0.000 . 1 . . . . . . . . 6874 2
19 . 2 2 4 4 THR HG22 H 1 1.23 0.000 . 1 . . . . . . . . 6874 2
20 . 2 2 4 4 THR HG23 H 1 1.23 0.000 . 1 . . . . . . . . 6874 2
21 . 2 2 4 4 THR CG2 C 13 21.5 0.000 . 1 . . . . . . . . 6874 2
22 . 2 2 5 5 THR N N 15 117.2 0.000 . 1 . . . . . . . . 6874 2
23 . 2 2 5 5 THR H H 1 8.14 0.000 . 1 . . . . . . . . 6874 2
24 . 2 2 5 5 THR CA C 13 61.5 0.000 . 1 . . . . . . . . 6874 2
25 . 2 2 5 5 THR HA H 1 4.42 0.001 . 1 . . . . . . . . 6874 2
26 . 2 2 5 5 THR CB C 13 70.1 0.000 . 1 . . . . . . . . 6874 2
27 . 2 2 5 5 THR HB H 1 4.24 0.000 . 1 . . . . . . . . 6874 2
28 . 2 2 5 5 THR HG21 H 1 1.20 0.002 . 1 . . . . . . . . 6874 2
29 . 2 2 5 5 THR HG22 H 1 1.20 0.002 . 1 . . . . . . . . 6874 2
30 . 2 2 5 5 THR HG23 H 1 1.20 0.002 . 1 . . . . . . . . 6874 2
31 . 2 2 5 5 THR CG2 C 13 21.5 0.000 . 1 . . . . . . . . 6874 2
32 . 2 2 6 6 VAL N N 15 123.0 0.000 . 1 . . . . . . . . 6874 2
33 . 2 2 6 6 VAL H H 1 8.27 0.000 . 1 . . . . . . . . 6874 2
34 . 2 2 6 6 VAL CA C 13 62.6 0.000 . 1 . . . . . . . . 6874 2
35 . 2 2 6 6 VAL HA H 1 4.11 0.001 . 1 . . . . . . . . 6874 2
36 . 2 2 6 6 VAL CB C 13 32.6 0.000 . 1 . . . . . . . . 6874 2
37 . 2 2 6 6 VAL HB H 1 2.07 0.000 . 1 . . . . . . . . 6874 2
38 . 2 2 6 6 VAL HG11 H 1 0.93 0.001 . 1 . . . . . . . . 6874 2
39 . 2 2 6 6 VAL HG12 H 1 0.93 0.001 . 1 . . . . . . . . 6874 2
40 . 2 2 6 6 VAL HG13 H 1 0.93 0.001 . 1 . . . . . . . . 6874 2
41 . 2 2 6 6 VAL HG21 H 1 0.93 0.000 . 1 . . . . . . . . 6874 2
42 . 2 2 6 6 VAL HG22 H 1 0.93 0.000 . 1 . . . . . . . . 6874 2
43 . 2 2 6 6 VAL HG23 H 1 0.93 0.000 . 1 . . . . . . . . 6874 2
44 . 2 2 6 6 VAL CG1 C 13 21.0 0.000 . 1 . . . . . . . . 6874 2
45 . 2 2 6 6 VAL CG2 C 13 21.0 0.000 . 1 . . . . . . . . 6874 2
46 . 2 2 7 7 GLU N N 15 125.1 0.000 . 1 . . . . . . . . 6874 2
47 . 2 2 7 7 GLU H H 1 8.54 0.000 . 1 . . . . . . . . 6874 2
48 . 2 2 7 7 GLU CA C 13 56.9 0.000 . 1 . . . . . . . . 6874 2
49 . 2 2 7 7 GLU HA H 1 4.27 0.001 . 1 . . . . . . . . 6874 2
50 . 2 2 7 7 GLU CB C 13 30.2 0.000 . 1 . . . . . . . . 6874 2
51 . 2 2 7 7 GLU HB2 H 1 2.05 0.006 . 2 . . . . . . . . 6874 2
52 . 2 2 7 7 GLU HB3 H 1 1.97 0.004 . 2 . . . . . . . . 6874 2
53 . 2 2 7 7 GLU CG C 13 36.3 0.000 . 1 . . . . . . . . 6874 2
54 . 2 2 7 7 GLU HG2 H 1 2.27 0.001 . 1 . . . . . . . . 6874 2
55 . 2 2 7 7 GLU HG3 H 1 2.27 0.002 . 1 . . . . . . . . 6874 2
56 . 2 2 8 8 GLY N N 15 110.6 0.000 . 1 . . . . . . . . 6874 2
57 . 2 2 8 8 GLY H H 1 8.47 0.000 . 1 . . . . . . . . 6874 2
58 . 2 2 8 8 GLY CA C 13 45.3 0.014 . 1 . . . . . . . . 6874 2
59 . 2 2 8 8 GLY HA2 H 1 3.96 0.000 . 1 . . . . . . . . 6874 2
60 . 2 2 8 8 GLY HA3 H 1 3.96 0.000 . 1 . . . . . . . . 6874 2
61 . 2 2 9 9 ARG N N 15 120.9 0.000 . 1 . . . . . . . . 6874 2
62 . 2 2 9 9 ARG H H 1 8.19 0.000 . 1 . . . . . . . . 6874 2
63 . 2 2 9 9 ARG CA C 13 56.2 0.000 . 1 . . . . . . . . 6874 2
64 . 2 2 9 9 ARG HA H 1 4.34 0.003 . 1 . . . . . . . . 6874 2
65 . 2 2 9 9 ARG CB C 13 30.7 0.000 . 1 . . . . . . . . 6874 2
66 . 2 2 9 9 ARG HB2 H 1 1.89 0.003 . 2 . . . . . . . . 6874 2
67 . 2 2 9 9 ARG HB3 H 1 1.78 0.000 . 2 . . . . . . . . 6874 2
68 . 2 2 9 9 ARG CG C 13 26.9 0.000 . 1 . . . . . . . . 6874 2
69 . 2 2 9 9 ARG HG2 H 1 1.60 0.004 . 1 . . . . . . . . 6874 2
70 . 2 2 9 9 ARG HG3 H 1 1.60 0.000 . 1 . . . . . . . . 6874 2
71 . 2 2 9 9 ARG CD C 13 43.3 0.000 . 1 . . . . . . . . 6874 2
72 . 2 2 9 9 ARG HD2 H 1 3.20 0.000 . 1 . . . . . . . . 6874 2
73 . 2 2 9 9 ARG HD3 H 1 3.20 0.000 . 1 . . . . . . . . 6874 2
74 . 2 2 10 10 ASN CA C 13 53.5 0.000 . 1 . . . . . . . . 6874 2
75 . 2 2 10 10 ASN HA H 1 4.72 0.001 . 1 . . . . . . . . 6874 2
76 . 2 2 10 10 ASN CB C 13 38.7 0.000 . 1 . . . . . . . . 6874 2
77 . 2 2 10 10 ASN HB2 H 1 2.85 0.000 . 2 . . . . . . . . 6874 2
78 . 2 2 10 10 ASN HB3 H 1 2.78 0.002 . 2 . . . . . . . . 6874 2
79 . 2 2 10 10 ASN ND2 N 15 113.4 0.000 . 1 . . . . . . . . 6874 2
80 . 2 2 10 10 ASN HD21 H 1 7.69 0.000 . 2 . . . . . . . . 6874 2
81 . 2 2 10 10 ASN HD22 H 1 7.01 0.000 . 2 . . . . . . . . 6874 2
82 . 2 2 11 11 ASP N N 15 121.4 0.000 . 1 . . . . . . . . 6874 2
83 . 2 2 11 11 ASP H H 1 8.26 0.001 . 1 . . . . . . . . 6874 2
84 . 2 2 11 11 ASP CA C 13 54.8 0.000 . 1 . . . . . . . . 6874 2
85 . 2 2 11 11 ASP HA H 1 4.58 0.001 . 1 . . . . . . . . 6874 2
86 . 2 2 11 11 ASP CB C 13 40.9 0.000 . 1 . . . . . . . . 6874 2
87 . 2 2 11 11 ASP HB2 H 1 2.74 0.000 . 2 . . . . . . . . 6874 2
88 . 2 2 11 11 ASP HB3 H 1 2.70 0.000 . 2 . . . . . . . . 6874 2
89 . 2 2 12 12 GLU N N 15 121.9 0.000 . 1 . . . . . . . . 6874 2
90 . 2 2 12 12 GLU H H 1 8.53 0.001 . 1 . . . . . . . . 6874 2
91 . 2 2 12 12 GLU CA C 13 59.6 0.000 . 1 . . . . . . . . 6874 2
92 . 2 2 12 12 GLU HA H 1 3.94 0.001 . 1 . . . . . . . . 6874 2
93 . 2 2 12 12 GLU CB C 13 29.6 0.000 . 1 . . . . . . . . 6874 2
94 . 2 2 12 12 GLU HB2 H 1 2.08 0.001 . 2 . . . . . . . . 6874 2
95 . 2 2 12 12 GLU HB3 H 1 2.09 0.000 . 2 . . . . . . . . 6874 2
96 . 2 2 12 12 GLU CG C 13 36.9 0.000 . 1 . . . . . . . . 6874 2
97 . 2 2 12 12 GLU HG2 H 1 2.29 0.001 . 2 . . . . . . . . 6874 2
98 . 2 2 12 12 GLU HG3 H 1 2.25 0.001 . 2 . . . . . . . . 6874 2
99 . 2 2 13 13 LYS N N 15 119.5 0.000 . 1 . . . . . . . . 6874 2
100 . 2 2 13 13 LYS H H 1 8.06 0.000 . 1 . . . . . . . . 6874 2
101 . 2 2 13 13 LYS CA C 13 59.3 0.000 . 1 . . . . . . . . 6874 2
102 . 2 2 13 13 LYS HA H 1 4.01 0.004 . 1 . . . . . . . . 6874 2
103 . 2 2 13 13 LYS CB C 13 32.3 0.000 . 1 . . . . . . . . 6874 2
104 . 2 2 13 13 LYS HB2 H 1 1.88 0.004 . 1 . . . . . . . . 6874 2
105 . 2 2 13 13 LYS HB3 H 1 1.88 0.000 . 1 . . . . . . . . 6874 2
106 . 2 2 13 13 LYS CG C 13 25.1 0.000 . 1 . . . . . . . . 6874 2
107 . 2 2 13 13 LYS HG2 H 1 1.52 0.003 . 2 . . . . . . . . 6874 2
108 . 2 2 13 13 LYS HG3 H 1 1.41 0.003 . 2 . . . . . . . . 6874 2
109 . 2 2 13 13 LYS CD C 13 29.0 0.000 . 1 . . . . . . . . 6874 2
110 . 2 2 13 13 LYS HD2 H 1 1.69 0.003 . 2 . . . . . . . . 6874 2
111 . 2 2 13 13 LYS HD3 H 1 1.70 0.000 . 2 . . . . . . . . 6874 2
112 . 2 2 13 13 LYS CE C 13 41.9 0.000 . 1 . . . . . . . . 6874 2
113 . 2 2 13 13 LYS HE2 H 1 3.00 0.001 . 1 . . . . . . . . 6874 2
114 . 2 2 13 13 LYS HE3 H 1 3.00 0.001 . 1 . . . . . . . . 6874 2
115 . 2 2 14 14 ALA N N 15 122.1 0.000 . 1 . . . . . . . . 6874 2
116 . 2 2 14 14 ALA H H 1 7.93 0.001 . 1 . . . . . . . . 6874 2
117 . 2 2 14 14 ALA CA C 13 54.5 0.000 . 1 . . . . . . . . 6874 2
118 . 2 2 14 14 ALA HA H 1 4.21 0.003 . 1 . . . . . . . . 6874 2
119 . 2 2 14 14 ALA HB1 H 1 1.49 0.002 . 1 . . . . . . . . 6874 2
120 . 2 2 14 14 ALA HB2 H 1 1.49 0.002 . 1 . . . . . . . . 6874 2
121 . 2 2 14 14 ALA HB3 H 1 1.49 0.002 . 1 . . . . . . . . 6874 2
122 . 2 2 14 14 ALA CB C 13 18.4 0.000 . 1 . . . . . . . . 6874 2
123 . 2 2 15 15 LEU N N 15 119.8 0.000 . 1 . . . . . . . . 6874 2
124 . 2 2 15 15 LEU H H 1 8.02 0.001 . 1 . . . . . . . . 6874 2
125 . 2 2 15 15 LEU CA C 13 57.4 0.000 . 1 . . . . . . . . 6874 2
126 . 2 2 15 15 LEU HA H 1 4.06 0.003 . 1 . . . . . . . . 6874 2
127 . 2 2 15 15 LEU CB C 13 41.9 0.000 . 1 . . . . . . . . 6874 2
128 . 2 2 15 15 LEU HB2 H 1 1.86 0.003 . 2 . . . . . . . . 6874 2
129 . 2 2 15 15 LEU HB3 H 1 1.46 0.001 . 2 . . . . . . . . 6874 2
130 . 2 2 15 15 LEU CG C 13 27.1 0.000 . 1 . . . . . . . . 6874 2
131 . 2 2 15 15 LEU HG H 1 1.75 0.002 . 1 . . . . . . . . 6874 2
132 . 2 2 15 15 LEU HD11 H 1 0.87 0.001 . 2 . . . . . . . . 6874 2
133 . 2 2 15 15 LEU HD12 H 1 0.87 0.001 . 2 . . . . . . . . 6874 2
134 . 2 2 15 15 LEU HD13 H 1 0.87 0.001 . 2 . . . . . . . . 6874 2
135 . 2 2 15 15 LEU HD21 H 1 0.85 0.000 . 2 . . . . . . . . 6874 2
136 . 2 2 15 15 LEU HD22 H 1 0.85 0.000 . 2 . . . . . . . . 6874 2
137 . 2 2 15 15 LEU HD23 H 1 0.85 0.000 . 2 . . . . . . . . 6874 2
138 . 2 2 15 15 LEU CD1 C 13 25.9 0.000 . 1 . . . . . . . . 6874 2
139 . 2 2 15 15 LEU CD2 C 13 25.5 0.000 . 1 . . . . . . . . 6874 2
140 . 2 2 16 16 LEU N N 15 120.0 0.000 . 1 . . . . . . . . 6874 2
141 . 2 2 16 16 LEU H H 1 8.22 0.002 . 1 . . . . . . . . 6874 2
142 . 2 2 16 16 LEU CA C 13 58.0 0.000 . 1 . . . . . . . . 6874 2
143 . 2 2 16 16 LEU HA H 1 4.01 0.002 . 1 . . . . . . . . 6874 2
144 . 2 2 16 16 LEU CB C 13 41.4 0.000 . 1 . . . . . . . . 6874 2
145 . 2 2 16 16 LEU HB2 H 1 1.83 0.001 . 2 . . . . . . . . 6874 2
146 . 2 2 16 16 LEU HB3 H 1 1.66 0.002 . 2 . . . . . . . . 6874 2
147 . 2 2 16 16 LEU CG C 13 26.9 0.000 . 1 . . . . . . . . 6874 2
148 . 2 2 16 16 LEU HG H 1 1.75 0.004 . 1 . . . . . . . . 6874 2
149 . 2 2 16 16 LEU HD11 H 1 0.90 0.002 . 2 . . . . . . . . 6874 2
150 . 2 2 16 16 LEU HD12 H 1 0.90 0.002 . 2 . . . . . . . . 6874 2
151 . 2 2 16 16 LEU HD13 H 1 0.90 0.002 . 2 . . . . . . . . 6874 2
152 . 2 2 16 16 LEU HD21 H 1 0.86 0.003 . 2 . . . . . . . . 6874 2
153 . 2 2 16 16 LEU HD22 H 1 0.86 0.003 . 2 . . . . . . . . 6874 2
154 . 2 2 16 16 LEU HD23 H 1 0.86 0.003 . 2 . . . . . . . . 6874 2
155 . 2 2 16 16 LEU CD1 C 13 24.8 0.000 . 1 . . . . . . . . 6874 2
156 . 2 2 16 16 LEU CD2 C 13 24.3 0.000 . 1 . . . . . . . . 6874 2
157 . 2 2 17 17 GLU N N 15 118.8 0.000 . 1 . . . . . . . . 6874 2
158 . 2 2 17 17 GLU H H 1 8.03 0.002 . 1 . . . . . . . . 6874 2
159 . 2 2 17 17 GLU CA C 13 59.3 0.000 . 1 . . . . . . . . 6874 2
160 . 2 2 17 17 GLU HA H 1 3.99 0.002 . 1 . . . . . . . . 6874 2
161 . 2 2 17 17 GLU CB C 13 29.0 0.000 . 1 . . . . . . . . 6874 2
162 . 2 2 17 17 GLU HB2 H 1 2.20 0.003 . 2 . . . . . . . . 6874 2
163 . 2 2 17 17 GLU HB3 H 1 2.08 0.002 . 2 . . . . . . . . 6874 2
164 . 2 2 17 17 GLU CG C 13 36.5 0.000 . 1 . . . . . . . . 6874 2
165 . 2 2 17 17 GLU HG2 H 1 2.46 0.003 . 2 . . . . . . . . 6874 2
166 . 2 2 17 17 GLU HG3 H 1 2.26 0.004 . 2 . . . . . . . . 6874 2
167 . 2 2 18 18 GLN N N 15 119.5 0.000 . 1 . . . . . . . . 6874 2
168 . 2 2 18 18 GLN H H 1 7.96 0.000 . 1 . . . . . . . . 6874 2
169 . 2 2 18 18 GLN CA C 13 59.1 0.000 . 1 . . . . . . . . 6874 2
170 . 2 2 18 18 GLN HA H 1 4.13 0.004 . 1 . . . . . . . . 6874 2
171 . 2 2 18 18 GLN CB C 13 28.5 0.000 . 1 . . . . . . . . 6874 2
172 . 2 2 18 18 GLN HB2 H 1 2.15 0.000 . 2 . . . . . . . . 6874 2
173 . 2 2 18 18 GLN HB3 H 1 2.11 0.000 . 2 . . . . . . . . 6874 2
174 . 2 2 18 18 GLN CG C 13 33.9 0.000 . 1 . . . . . . . . 6874 2
175 . 2 2 18 18 GLN HG2 H 1 2.51 0.000 . 2 . . . . . . . . 6874 2
176 . 2 2 18 18 GLN HG3 H 1 2.41 0.000 . 2 . . . . . . . . 6874 2
177 . 2 2 19 19 LEU N N 15 121.9 0.000 . 1 . . . . . . . . 6874 2
178 . 2 2 19 19 LEU H H 1 8.19 0.001 . 1 . . . . . . . . 6874 2
179 . 2 2 19 19 LEU CA C 13 58.3 0.000 . 1 . . . . . . . . 6874 2
180 . 2 2 19 19 LEU HA H 1 4.15 0.000 . 1 . . . . . . . . 6874 2
181 . 2 2 19 19 LEU CB C 13 41.4 0.000 . 1 . . . . . . . . 6874 2
182 . 2 2 19 19 LEU HB2 H 1 2.15 0.003 . 2 . . . . . . . . 6874 2
183 . 2 2 19 19 LEU HB3 H 1 1.76 0.001 . 2 . . . . . . . . 6874 2
184 . 2 2 19 19 LEU HD11 H 1 0.93 0.002 . 2 . . . . . . . . 6874 2
185 . 2 2 19 19 LEU HD12 H 1 0.93 0.002 . 2 . . . . . . . . 6874 2
186 . 2 2 19 19 LEU HD13 H 1 0.93 0.002 . 2 . . . . . . . . 6874 2
187 . 2 2 19 19 LEU HD21 H 1 0.87 0.000 . 2 . . . . . . . . 6874 2
188 . 2 2 19 19 LEU HD22 H 1 0.87 0.000 . 2 . . . . . . . . 6874 2
189 . 2 2 19 19 LEU HD23 H 1 0.87 0.000 . 2 . . . . . . . . 6874 2
190 . 2 2 20 20 VAL N N 15 119.5 0.000 . 1 . . . . . . . . 6874 2
191 . 2 2 20 20 VAL H H 1 8.38 0.000 . 1 . . . . . . . . 6874 2
192 . 2 2 20 20 VAL CA C 13 67.4 0.000 . 1 . . . . . . . . 6874 2
193 . 2 2 20 20 VAL HA H 1 3.49 0.001 . 1 . . . . . . . . 6874 2
194 . 2 2 20 20 VAL CB C 13 31.5 0.000 . 1 . . . . . . . . 6874 2
195 . 2 2 20 20 VAL HB H 1 2.16 0.001 . 1 . . . . . . . . 6874 2
196 . 2 2 20 20 VAL HG11 H 1 1.04 0.001 . 2 . . . . . . . . 6874 2
197 . 2 2 20 20 VAL HG12 H 1 1.04 0.001 . 2 . . . . . . . . 6874 2
198 . 2 2 20 20 VAL HG13 H 1 1.04 0.001 . 2 . . . . . . . . 6874 2
199 . 2 2 20 20 VAL HG21 H 1 0.93 0.001 . 2 . . . . . . . . 6874 2
200 . 2 2 20 20 VAL HG22 H 1 0.93 0.001 . 2 . . . . . . . . 6874 2
201 . 2 2 20 20 VAL HG23 H 1 0.93 0.001 . 2 . . . . . . . . 6874 2
202 . 2 2 20 20 VAL CG1 C 13 22.9 0.000 . 1 . . . . . . . . 6874 2
203 . 2 2 20 20 VAL CG2 C 13 21.3 0.000 . 1 . . . . . . . . 6874 2
204 . 2 2 21 21 SER N N 15 116.5 0.000 . 1 . . . . . . . . 6874 2
205 . 2 2 21 21 SER H H 1 8.32 0.001 . 1 . . . . . . . . 6874 2
206 . 2 2 21 21 SER CA C 13 61.5 0.000 . 1 . . . . . . . . 6874 2
207 . 2 2 21 21 SER HA H 1 4.21 0.000 . 1 . . . . . . . . 6874 2
208 . 2 2 21 21 SER CB C 13 62.7 0.000 . 1 . . . . . . . . 6874 2
209 . 2 2 21 21 SER HB2 H 1 4.00 0.000 . 2 . . . . . . . . 6874 2
210 . 2 2 21 21 SER HB3 H 1 3.98 0.002 . 2 . . . . . . . . 6874 2
211 . 2 2 22 22 PHE N N 15 122.8 0.000 . 1 . . . . . . . . 6874 2
212 . 2 2 22 22 PHE H H 1 8.19 0.002 . 1 . . . . . . . . 6874 2
213 . 2 2 22 22 PHE CA C 13 61.2 0.000 . 1 . . . . . . . . 6874 2
214 . 2 2 22 22 PHE HA H 1 4.26 0.000 . 1 . . . . . . . . 6874 2
215 . 2 2 22 22 PHE CB C 13 39.3 0.000 . 1 . . . . . . . . 6874 2
216 . 2 2 22 22 PHE HB2 H 1 3.38 0.002 . 2 . . . . . . . . 6874 2
217 . 2 2 22 22 PHE HB3 H 1 3.23 0.002 . 2 . . . . . . . . 6874 2
218 . 2 2 22 22 PHE HD1 H 1 7.20 0.005 . 1 . . . . . . . . 6874 2
219 . 2 2 22 22 PHE HD2 H 1 7.20 0.005 . 1 . . . . . . . . 6874 2
220 . 2 2 22 22 PHE HE1 H 1 7.26 0.002 . 1 . . . . . . . . 6874 2
221 . 2 2 22 22 PHE HE2 H 1 7.26 0.002 . 1 . . . . . . . . 6874 2
222 . 2 2 23 23 LEU N N 15 118.6 0.000 . 1 . . . . . . . . 6874 2
223 . 2 2 23 23 LEU H H 1 8.45 0.001 . 1 . . . . . . . . 6874 2
224 . 2 2 23 23 LEU CA C 13 57.1 0.000 . 1 . . . . . . . . 6874 2
225 . 2 2 23 23 LEU HA H 1 3.81 0.001 . 1 . . . . . . . . 6874 2
226 . 2 2 23 23 LEU CB C 13 41.8 0.000 . 1 . . . . . . . . 6874 2
227 . 2 2 23 23 LEU HB2 H 1 1.88 0.003 . 2 . . . . . . . . 6874 2
228 . 2 2 23 23 LEU HB3 H 1 1.39 0.001 . 2 . . . . . . . . 6874 2
229 . 2 2 23 23 LEU CG C 13 26.9 0.000 . 1 . . . . . . . . 6874 2
230 . 2 2 23 23 LEU HG H 1 2.03 0.003 . 1 . . . . . . . . 6874 2
231 . 2 2 23 23 LEU HD11 H 1 0.86 0.002 . 2 . . . . . . . . 6874 2
232 . 2 2 23 23 LEU HD12 H 1 0.86 0.002 . 2 . . . . . . . . 6874 2
233 . 2 2 23 23 LEU HD13 H 1 0.86 0.002 . 2 . . . . . . . . 6874 2
234 . 2 2 23 23 LEU HD21 H 1 0.66 0.001 . 2 . . . . . . . . 6874 2
235 . 2 2 23 23 LEU HD22 H 1 0.66 0.001 . 2 . . . . . . . . 6874 2
236 . 2 2 23 23 LEU HD23 H 1 0.66 0.001 . 2 . . . . . . . . 6874 2
237 . 2 2 23 23 LEU CD1 C 13 22.9 0.000 . 1 . . . . . . . . 6874 2
238 . 2 2 23 23 LEU CD2 C 13 25.5 0.000 . 1 . . . . . . . . 6874 2
239 . 2 2 24 24 SER N N 15 113.9 0.000 . 1 . . . . . . . . 6874 2
240 . 2 2 24 24 SER H H 1 8.09 0.001 . 1 . . . . . . . . 6874 2
241 . 2 2 24 24 SER CA C 13 60.7 0.000 . 1 . . . . . . . . 6874 2
242 . 2 2 24 24 SER HA H 1 4.22 0.001 . 1 . . . . . . . . 6874 2
243 . 2 2 24 24 SER CB C 13 62.8 0.000 . 1 . . . . . . . . 6874 2
244 . 2 2 24 24 SER HB2 H 1 3.99 0.001 . 2 . . . . . . . . 6874 2
245 . 2 2 24 24 SER HB3 H 1 3.95 0.000 . 2 . . . . . . . . 6874 2
246 . 2 2 25 25 GLY N N 15 107.8 0.000 . 1 . . . . . . . . 6874 2
247 . 2 2 25 25 GLY H H 1 7.47 0.000 . 1 . . . . . . . . 6874 2
248 . 2 2 25 25 GLY CA C 13 44.8 0.015 . 1 . . . . . . . . 6874 2
249 . 2 2 26 26 LYS N N 15 121.2 0.000 . 1 . . . . . . . . 6874 2
250 . 2 2 26 26 LYS H H 1 7.13 0.001 . 1 . . . . . . . . 6874 2
251 . 2 2 26 26 LYS CA C 13 54.3 0.000 . 1 . . . . . . . . 6874 2
252 . 2 2 26 26 LYS HA H 1 4.36 0.004 . 1 . . . . . . . . 6874 2
253 . 2 2 26 26 LYS CB C 13 33.4 0.000 . 1 . . . . . . . . 6874 2
254 . 2 2 26 26 LYS HB2 H 1 1.74 0.008 . 2 . . . . . . . . 6874 2
255 . 2 2 26 26 LYS HB3 H 1 1.68 0.000 . 2 . . . . . . . . 6874 2
256 . 2 2 26 26 LYS CG C 13 24.5 0.000 . 1 . . . . . . . . 6874 2
257 . 2 2 26 26 LYS HG2 H 1 1.30 0.002 . 2 . . . . . . . . 6874 2
258 . 2 2 26 26 LYS HG3 H 1 1.26 0.000 . 2 . . . . . . . . 6874 2
259 . 2 2 26 26 LYS CD C 13 28.5 0.000 . 1 . . . . . . . . 6874 2
260 . 2 2 26 26 LYS HD2 H 1 1.52 0.003 . 2 . . . . . . . . 6874 2
261 . 2 2 26 26 LYS HD3 H 1 1.48 0.000 . 2 . . . . . . . . 6874 2
262 . 2 2 26 26 LYS CE C 13 41.9 0.000 . 1 . . . . . . . . 6874 2
263 . 2 2 26 26 LYS HE2 H 1 2.77 0.004 . 2 . . . . . . . . 6874 2
264 . 2 2 26 26 LYS HE3 H 1 2.68 0.002 . 2 . . . . . . . . 6874 2
265 . 2 2 27 27 ASP N N 15 123.3 0.000 . 1 . . . . . . . . 6874 2
266 . 2 2 27 27 ASP H H 1 8.73 0.000 . 1 . . . . . . . . 6874 2
267 . 2 2 27 27 ASP CA C 13 54.0 0.000 . 1 . . . . . . . . 6874 2
268 . 2 2 27 27 ASP HA H 1 4.54 0.001 . 1 . . . . . . . . 6874 2
269 . 2 2 27 27 ASP CB C 13 42.1 0.000 . 1 . . . . . . . . 6874 2
270 . 2 2 27 27 ASP HB2 H 1 2.84 0.002 . 2 . . . . . . . . 6874 2
271 . 2 2 27 27 ASP HB3 H 1 2.71 0.003 . 2 . . . . . . . . 6874 2
272 . 2 2 28 28 GLU N N 15 123.3 0.000 . 1 . . . . . . . . 6874 2
273 . 2 2 28 28 GLU H H 1 8.84 0.000 . 1 . . . . . . . . 6874 2
274 . 2 2 28 28 GLU CA C 13 59.3 0.000 . 1 . . . . . . . . 6874 2
275 . 2 2 28 28 GLU HA H 1 4.03 0.002 . 1 . . . . . . . . 6874 2
276 . 2 2 28 28 GLU CB C 13 29.6 0.000 . 1 . . . . . . . . 6874 2
277 . 2 2 28 28 GLU HB2 H 1 2.08 0.003 . 1 . . . . . . . . 6874 2
278 . 2 2 28 28 GLU HB3 H 1 2.08 0.000 . 1 . . . . . . . . 6874 2
279 . 2 2 28 28 GLU CG C 13 36.2 0.000 . 1 . . . . . . . . 6874 2
280 . 2 2 28 28 GLU HG2 H 1 2.33 0.002 . 1 . . . . . . . . 6874 2
281 . 2 2 28 28 GLU HG3 H 1 2.33 0.003 . 1 . . . . . . . . 6874 2
282 . 2 2 29 29 THR N N 15 114.6 0.000 . 1 . . . . . . . . 6874 2
283 . 2 2 29 29 THR H H 1 8.45 0.000 . 1 . . . . . . . . 6874 2
284 . 2 2 29 29 THR CA C 13 65.5 0.000 . 1 . . . . . . . . 6874 2
285 . 2 2 29 29 THR HA H 1 4.10 0.002 . 1 . . . . . . . . 6874 2
286 . 2 2 29 29 THR CB C 13 68.4 0.054 . 1 . . . . . . . . 6874 2
287 . 2 2 29 29 THR HB H 1 4.28 0.001 . 1 . . . . . . . . 6874 2
288 . 2 2 29 29 THR HG21 H 1 1.30 0.004 . 1 . . . . . . . . 6874 2
289 . 2 2 29 29 THR HG22 H 1 1.30 0.004 . 1 . . . . . . . . 6874 2
290 . 2 2 29 29 THR HG23 H 1 1.30 0.004 . 1 . . . . . . . . 6874 2
291 . 2 2 29 29 THR CG2 C 13 21.8 0.030 . 1 . . . . . . . . 6874 2
292 . 2 2 30 30 GLU N N 15 122.3 0.000 . 1 . . . . . . . . 6874 2
293 . 2 2 30 30 GLU H H 1 7.91 0.001 . 1 . . . . . . . . 6874 2
294 . 2 2 30 30 GLU CA C 13 58.6 0.000 . 1 . . . . . . . . 6874 2
295 . 2 2 30 30 GLU HA H 1 4.22 0.001 . 1 . . . . . . . . 6874 2
296 . 2 2 30 30 GLU CB C 13 30.2 0.000 . 1 . . . . . . . . 6874 2
297 . 2 2 30 30 GLU HB2 H 1 2.27 0.000 . 2 . . . . . . . . 6874 2
298 . 2 2 30 30 GLU HB3 H 1 2.08 0.008 . 2 . . . . . . . . 6874 2
299 . 2 2 30 30 GLU CG C 13 36.8 0.000 . 1 . . . . . . . . 6874 2
300 . 2 2 30 30 GLU HG2 H 1 2.46 0.003 . 2 . . . . . . . . 6874 2
301 . 2 2 30 30 GLU HG3 H 1 2.26 0.007 . 2 . . . . . . . . 6874 2
302 . 2 2 31 31 LEU N N 15 121.2 0.000 . 1 . . . . . . . . 6874 2
303 . 2 2 31 31 LEU H H 1 8.26 0.000 . 1 . . . . . . . . 6874 2
304 . 2 2 31 31 LEU CA C 13 55.0 0.006 . 1 . . . . . . . . 6874 2
305 . 2 2 31 31 LEU CB C 13 40.6 0.010 . 1 . . . . . . . . 6874 2
306 . 2 2 32 32 ALA N N 15 122.1 0.000 . 1 . . . . . . . . 6874 2
307 . 2 2 32 32 ALA H H 1 7.98 0.002 . 1 . . . . . . . . 6874 2
308 . 2 2 32 32 ALA CA C 13 54.9 0.000 . 1 . . . . . . . . 6874 2
309 . 2 2 32 32 ALA HA H 1 4.25 0.002 . 1 . . . . . . . . 6874 2
310 . 2 2 32 32 ALA HB1 H 1 1.56 0.003 . 1 . . . . . . . . 6874 2
311 . 2 2 32 32 ALA HB2 H 1 1.56 0.003 . 1 . . . . . . . . 6874 2
312 . 2 2 32 32 ALA HB3 H 1 1.56 0.003 . 1 . . . . . . . . 6874 2
313 . 2 2 32 32 ALA CB C 13 18.1 0.000 . 1 . . . . . . . . 6874 2
314 . 2 2 33 33 GLU N N 15 117.6 0.000 . 1 . . . . . . . . 6874 2
315 . 2 2 33 33 GLU H H 1 7.94 0.001 . 1 . . . . . . . . 6874 2
316 . 2 2 33 33 GLU CA C 13 59.0 0.000 . 1 . . . . . . . . 6874 2
317 . 2 2 33 33 GLU HA H 1 4.12 0.000 . 1 . . . . . . . . 6874 2
318 . 2 2 33 33 GLU CB C 13 28.7 0.000 . 1 . . . . . . . . 6874 2
319 . 2 2 33 33 GLU HB2 H 1 2.16 0.000 . 2 . . . . . . . . 6874 2
320 . 2 2 33 33 GLU HB3 H 1 2.09 0.000 . 2 . . . . . . . . 6874 2
321 . 2 2 33 33 GLU CG C 13 36.3 0.000 . 1 . . . . . . . . 6874 2
322 . 2 2 33 33 GLU HG2 H 1 2.42 0.006 . 2 . . . . . . . . 6874 2
323 . 2 2 33 33 GLU HG3 H 1 2.32 0.000 . 2 . . . . . . . . 6874 2
324 . 2 2 34 34 LEU N N 15 123.3 0.000 . 1 . . . . . . . . 6874 2
325 . 2 2 34 34 LEU H H 1 7.77 0.001 . 1 . . . . . . . . 6874 2
326 . 2 2 34 34 LEU CA C 13 58.0 0.000 . 1 . . . . . . . . 6874 2
327 . 2 2 34 34 LEU HA H 1 4.14 0.004 . 1 . . . . . . . . 6874 2
328 . 2 2 34 34 LEU CB C 13 41.4 0.000 . 1 . . . . . . . . 6874 2
329 . 2 2 34 34 LEU HB2 H 1 2.02 0.004 . 2 . . . . . . . . 6874 2
330 . 2 2 34 34 LEU HB3 H 1 1.78 0.000 . 2 . . . . . . . . 6874 2
331 . 2 2 34 34 LEU CG C 13 27.1 0.000 . 1 . . . . . . . . 6874 2
332 . 2 2 34 34 LEU HG H 1 1.84 0.006 . 1 . . . . . . . . 6874 2
333 . 2 2 34 34 LEU HD11 H 1 0.97 0.001 . 2 . . . . . . . . 6874 2
334 . 2 2 34 34 LEU HD12 H 1 0.97 0.001 . 2 . . . . . . . . 6874 2
335 . 2 2 34 34 LEU HD13 H 1 0.97 0.001 . 2 . . . . . . . . 6874 2
336 . 2 2 34 34 LEU HD21 H 1 0.90 0.000 . 2 . . . . . . . . 6874 2
337 . 2 2 34 34 LEU HD22 H 1 0.90 0.000 . 2 . . . . . . . . 6874 2
338 . 2 2 34 34 LEU HD23 H 1 0.90 0.000 . 2 . . . . . . . . 6874 2
339 . 2 2 34 34 LEU CD1 C 13 24.8 0.000 . 1 . . . . . . . . 6874 2
340 . 2 2 34 34 LEU CD2 C 13 24.8 0.000 . 1 . . . . . . . . 6874 2
341 . 2 2 35 35 ASP N N 15 120.2 0.000 . 1 . . . . . . . . 6874 2
342 . 2 2 35 35 ASP H H 1 8.71 0.000 . 1 . . . . . . . . 6874 2
343 . 2 2 35 35 ASP CA C 13 57.3 0.090 . 1 . . . . . . . . 6874 2
344 . 2 2 35 35 ASP CB C 13 39.9 0.002 . 1 . . . . . . . . 6874 2
345 . 2 2 36 36 ARG N N 15 119.0 0.000 . 1 . . . . . . . . 6874 2
346 . 2 2 36 36 ARG H H 1 7.86 0.001 . 1 . . . . . . . . 6874 2
347 . 2 2 36 36 ARG CA C 13 58.3 0.000 . 1 . . . . . . . . 6874 2
348 . 2 2 36 36 ARG HA H 1 4.16 0.008 . 1 . . . . . . . . 6874 2
349 . 2 2 36 36 ARG CB C 13 29.9 0.000 . 1 . . . . . . . . 6874 2
350 . 2 2 36 36 ARG HB2 H 1 1.91 0.002 . 1 . . . . . . . . 6874 2
351 . 2 2 36 36 ARG HB3 H 1 1.91 0.002 . 1 . . . . . . . . 6874 2
352 . 2 2 36 36 ARG CG C 13 27.7 0.000 . 1 . . . . . . . . 6874 2
353 . 2 2 36 36 ARG HG2 H 1 1.59 0.000 . 1 . . . . . . . . 6874 2
354 . 2 2 36 36 ARG HG3 H 1 1.59 0.000 . 1 . . . . . . . . 6874 2
355 . 2 2 36 36 ARG CD C 13 43.4 0.000 . 1 . . . . . . . . 6874 2
356 . 2 2 36 36 ARG HD2 H 1 3.26 0.000 . 2 . . . . . . . . 6874 2
357 . 2 2 36 36 ARG HD3 H 1 3.23 0.003 . 2 . . . . . . . . 6874 2
358 . 2 2 37 37 ALA N N 15 124.2 0.000 . 1 . . . . . . . . 6874 2
359 . 2 2 37 37 ALA H H 1 8.08 0.001 . 1 . . . . . . . . 6874 2
360 . 2 2 37 37 ALA CA C 13 54.6 0.000 . 1 . . . . . . . . 6874 2
361 . 2 2 37 37 ALA HA H 1 4.16 0.001 . 1 . . . . . . . . 6874 2
362 . 2 2 37 37 ALA HB1 H 1 1.54 0.003 . 1 . . . . . . . . 6874 2
363 . 2 2 37 37 ALA HB2 H 1 1.54 0.003 . 1 . . . . . . . . 6874 2
364 . 2 2 37 37 ALA HB3 H 1 1.54 0.003 . 1 . . . . . . . . 6874 2
365 . 2 2 37 37 ALA CB C 13 18.6 0.000 . 1 . . . . . . . . 6874 2
366 . 2 2 38 38 LEU N N 15 115.5 0.000 . 1 . . . . . . . . 6874 2
367 . 2 2 38 38 LEU H H 1 8.06 0.000 . 1 . . . . . . . . 6874 2
368 . 2 2 38 38 LEU CA C 13 54.9 0.000 . 1 . . . . . . . . 6874 2
369 . 2 2 38 38 LEU HA H 1 4.26 0.006 . 1 . . . . . . . . 6874 2
370 . 2 2 38 38 LEU CB C 13 42.7 0.000 . 1 . . . . . . . . 6874 2
371 . 2 2 38 38 LEU HB2 H 1 1.78 0.001 . 2 . . . . . . . . 6874 2
372 . 2 2 38 38 LEU HB3 H 1 1.58 0.002 . 2 . . . . . . . . 6874 2
373 . 2 2 38 38 LEU CG C 13 26.9 0.000 . 1 . . . . . . . . 6874 2
374 . 2 2 38 38 LEU HG H 1 1.79 0.000 . 1 . . . . . . . . 6874 2
375 . 2 2 38 38 LEU HD11 H 1 0.78 0.003 . 2 . . . . . . . . 6874 2
376 . 2 2 38 38 LEU HD12 H 1 0.78 0.003 . 2 . . . . . . . . 6874 2
377 . 2 2 38 38 LEU HD13 H 1 0.78 0.003 . 2 . . . . . . . . 6874 2
378 . 2 2 38 38 LEU HD21 H 1 0.72 0.004 . 2 . . . . . . . . 6874 2
379 . 2 2 38 38 LEU HD22 H 1 0.72 0.004 . 2 . . . . . . . . 6874 2
380 . 2 2 38 38 LEU HD23 H 1 0.72 0.004 . 2 . . . . . . . . 6874 2
381 . 2 2 38 38 LEU CD1 C 13 23.4 0.000 . 1 . . . . . . . . 6874 2
382 . 2 2 38 38 LEU CD2 C 13 26.2 0.000 . 1 . . . . . . . . 6874 2
383 . 2 2 39 39 GLY N N 15 107.6 0.000 . 1 . . . . . . . . 6874 2
384 . 2 2 39 39 GLY H H 1 7.80 0.000 . 1 . . . . . . . . 6874 2
385 . 2 2 39 39 GLY CA C 13 45.9 0.011 . 1 . . . . . . . . 6874 2
386 . 2 2 39 39 GLY HA2 H 1 4.03 0.000 . 1 . . . . . . . . 6874 2
387 . 2 2 39 39 GLY HA3 H 1 4.03 0.000 . 1 . . . . . . . . 6874 2
388 . 2 2 40 40 ILE N N 15 117.2 0.000 . 1 . . . . . . . . 6874 2
389 . 2 2 40 40 ILE H H 1 8.19 0.001 . 1 . . . . . . . . 6874 2
390 . 2 2 40 40 ILE CA C 13 62.3 0.000 . 1 . . . . . . . . 6874 2
391 . 2 2 40 40 ILE HA H 1 3.96 0.003 . 1 . . . . . . . . 6874 2
392 . 2 2 40 40 ILE CB C 13 38.2 0.000 . 1 . . . . . . . . 6874 2
393 . 2 2 40 40 ILE HB H 1 1.92 0.002 . 1 . . . . . . . . 6874 2
394 . 2 2 40 40 ILE HG21 H 1 0.76 0.002 . 1 . . . . . . . . 6874 2
395 . 2 2 40 40 ILE HG22 H 1 0.76 0.002 . 1 . . . . . . . . 6874 2
396 . 2 2 40 40 ILE HG23 H 1 0.76 0.002 . 1 . . . . . . . . 6874 2
397 . 2 2 40 40 ILE CG2 C 13 17.3 0.000 . 1 . . . . . . . . 6874 2
398 . 2 2 40 40 ILE CG1 C 13 28.0 0.000 . 1 . . . . . . . . 6874 2
399 . 2 2 40 40 ILE HG12 H 1 1.50 0.002 . 1 . . . . . . . . 6874 2
400 . 2 2 40 40 ILE HG13 H 1 1.50 0.002 . 1 . . . . . . . . 6874 2
401 . 2 2 40 40 ILE HD11 H 1 0.94 0.002 . 1 . . . . . . . . 6874 2
402 . 2 2 40 40 ILE HD12 H 1 0.94 0.002 . 1 . . . . . . . . 6874 2
403 . 2 2 40 40 ILE HD13 H 1 0.94 0.002 . 1 . . . . . . . . 6874 2
404 . 2 2 40 40 ILE CD1 C 13 13.5 0.000 . 1 . . . . . . . . 6874 2
405 . 2 2 41 41 ASP N N 15 119.3 0.000 . 1 . . . . . . . . 6874 2
406 . 2 2 41 41 ASP H H 1 8.69 0.000 . 1 . . . . . . . . 6874 2
407 . 2 2 41 41 ASP CA C 13 56.1 0.000 . 1 . . . . . . . . 6874 2
408 . 2 2 41 41 ASP HA H 1 3.98 0.001 . 1 . . . . . . . . 6874 2
409 . 2 2 41 41 ASP CB C 13 39.0 0.000 . 1 . . . . . . . . 6874 2
410 . 2 2 41 41 ASP HB2 H 1 2.57 0.005 . 2 . . . . . . . . 6874 2
411 . 2 2 41 41 ASP HB3 H 1 2.47 0.000 . 2 . . . . . . . . 6874 2
412 . 2 2 42 42 LYS N N 15 118.8 0.000 . 1 . . . . . . . . 6874 2
413 . 2 2 42 42 LYS H H 1 7.61 0.000 . 1 . . . . . . . . 6874 2
414 . 2 2 42 42 LYS CA C 13 57.1 0.000 . 1 . . . . . . . . 6874 2
415 . 2 2 42 42 LYS HA H 1 4.11 0.002 . 1 . . . . . . . . 6874 2
416 . 2 2 42 42 LYS CB C 13 32.3 0.000 . 1 . . . . . . . . 6874 2
417 . 2 2 42 42 LYS HB2 H 1 1.85 0.000 . 2 . . . . . . . . 6874 2
418 . 2 2 42 42 LYS HB3 H 1 1.80 0.000 . 2 . . . . . . . . 6874 2
419 . 2 2 42 42 LYS CG C 13 24.8 0.000 . 1 . . . . . . . . 6874 2
420 . 2 2 42 42 LYS HG2 H 1 1.46 0.007 . 2 . . . . . . . . 6874 2
421 . 2 2 42 42 LYS HG3 H 1 1.38 0.000 . 2 . . . . . . . . 6874 2
422 . 2 2 42 42 LYS CD C 13 28.8 0.000 . 1 . . . . . . . . 6874 2
423 . 2 2 42 42 LYS HD2 H 1 1.66 0.002 . 2 . . . . . . . . 6874 2
424 . 2 2 42 42 LYS HD3 H 1 1.64 0.000 . 2 . . . . . . . . 6874 2
425 . 2 2 42 42 LYS CE C 13 41.9 0.000 . 1 . . . . . . . . 6874 2
426 . 2 2 42 42 LYS HE2 H 1 2.99 0.003 . 1 . . . . . . . . 6874 2
427 . 2 2 42 42 LYS HE3 H 1 2.99 0.000 . 1 . . . . . . . . 6874 2
428 . 2 2 43 43 LEU N N 15 120.9 0.000 . 1 . . . . . . . . 6874 2
429 . 2 2 43 43 LEU H H 1 7.63 0.002 . 1 . . . . . . . . 6874 2
430 . 2 2 43 43 LEU CA C 13 56.7 0.000 . 1 . . . . . . . . 6874 2
431 . 2 2 43 43 LEU HA H 1 4.15 0.002 . 1 . . . . . . . . 6874 2
432 . 2 2 43 43 LEU CB C 13 42.2 0.000 . 1 . . . . . . . . 6874 2
433 . 2 2 43 43 LEU HB2 H 1 1.76 0.000 . 2 . . . . . . . . 6874 2
434 . 2 2 43 43 LEU HB3 H 1 1.57 0.000 . 2 . . . . . . . . 6874 2
435 . 2 2 43 43 LEU HD11 H 1 0.88 0.000 . 2 . . . . . . . . 6874 2
436 . 2 2 43 43 LEU HD12 H 1 0.88 0.000 . 2 . . . . . . . . 6874 2
437 . 2 2 43 43 LEU HD13 H 1 0.88 0.000 . 2 . . . . . . . . 6874 2
438 . 2 2 43 43 LEU HD21 H 1 0.83 0.000 . 2 . . . . . . . . 6874 2
439 . 2 2 43 43 LEU HD22 H 1 0.83 0.000 . 2 . . . . . . . . 6874 2
440 . 2 2 43 43 LEU HD23 H 1 0.83 0.000 . 2 . . . . . . . . 6874 2
441 . 2 2 43 43 LEU CD1 C 13 24.9 0.000 . 1 . . . . . . . . 6874 2
442 . 2 2 43 43 LEU CD2 C 13 23.7 0.000 . 1 . . . . . . . . 6874 2
443 . 2 2 44 44 VAL N N 15 117.4 0.000 . 1 . . . . . . . . 6874 2
444 . 2 2 44 44 VAL H H 1 7.79 0.000 . 1 . . . . . . . . 6874 2
445 . 2 2 44 44 VAL CA C 13 63.7 0.000 . 1 . . . . . . . . 6874 2
446 . 2 2 44 44 VAL HA H 1 3.82 0.001 . 1 . . . . . . . . 6874 2
447 . 2 2 44 44 VAL CB C 13 32.1 0.034 . 1 . . . . . . . . 6874 2
448 . 2 2 44 44 VAL HB H 1 2.01 0.002 . 1 . . . . . . . . 6874 2
449 . 2 2 44 44 VAL HG11 H 1 0.83 0.003 . 2 . . . . . . . . 6874 2
450 . 2 2 44 44 VAL HG12 H 1 0.83 0.003 . 2 . . . . . . . . 6874 2
451 . 2 2 44 44 VAL HG13 H 1 0.83 0.003 . 2 . . . . . . . . 6874 2
452 . 2 2 44 44 VAL HG21 H 1 0.80 0.001 . 2 . . . . . . . . 6874 2
453 . 2 2 44 44 VAL HG22 H 1 0.80 0.001 . 2 . . . . . . . . 6874 2
454 . 2 2 44 44 VAL HG23 H 1 0.80 0.001 . 2 . . . . . . . . 6874 2
455 . 2 2 44 44 VAL CG1 C 13 20.9 0.000 . 1 . . . . . . . . 6874 2
456 . 2 2 44 44 VAL CG2 C 13 21.3 0.000 . 1 . . . . . . . . 6874 2
457 . 2 2 45 45 GLN N N 15 120.2 0.000 . 1 . . . . . . . . 6874 2
458 . 2 2 45 45 GLN H H 1 7.93 0.003 . 1 . . . . . . . . 6874 2
459 . 2 2 45 45 GLN CA C 13 56.7 0.000 . 1 . . . . . . . . 6874 2
460 . 2 2 45 45 GLN HA H 1 4.16 0.002 . 1 . . . . . . . . 6874 2
461 . 2 2 45 45 GLN CB C 13 28.8 0.000 . 1 . . . . . . . . 6874 2
462 . 2 2 45 45 GLN HB2 H 1 2.13 0.002 . 2 . . . . . . . . 6874 2
463 . 2 2 45 45 GLN HB3 H 1 2.01 0.002 . 2 . . . . . . . . 6874 2
464 . 2 2 45 45 GLN CG C 13 33.7 0.000 . 1 . . . . . . . . 6874 2
465 . 2 2 45 45 GLN HG2 H 1 2.41 0.001 . 2 . . . . . . . . 6874 2
466 . 2 2 45 45 GLN HG3 H 1 2.35 0.007 . 2 . . . . . . . . 6874 2
467 . 2 2 46 46 GLY N N 15 108.5 0.000 . 1 . . . . . . . . 6874 2
468 . 2 2 46 46 GLY H H 1 8.09 0.000 . 1 . . . . . . . . 6874 2
469 . 2 2 46 46 GLY CA C 13 45.4 0.021 . 1 . . . . . . . . 6874 2
470 . 2 2 46 46 GLY HA2 H 1 3.99 0.000 . 1 . . . . . . . . 6874 2
471 . 2 2 46 46 GLY HA3 H 1 3.99 0.000 . 1 . . . . . . . . 6874 2
472 . 2 2 47 47 GLY N N 15 108.7 0.000 . 1 . . . . . . . . 6874 2
473 . 2 2 47 47 GLY H H 1 8.15 0.000 . 1 . . . . . . . . 6874 2
474 . 2 2 47 47 GLY CA C 13 45.1 0.028 . 1 . . . . . . . . 6874 2
475 . 2 2 47 47 GLY HA2 H 1 3.99 0.000 . 1 . . . . . . . . 6874 2
476 . 2 2 47 47 GLY HA3 H 1 3.99 0.000 . 1 . . . . . . . . 6874 2
477 . 2 2 48 48 GLY N N 15 109.0 0.000 . 1 . . . . . . . . 6874 2
478 . 2 2 48 48 GLY H H 1 8.34 0.001 . 1 . . . . . . . . 6874 2
479 . 2 2 48 48 GLY CA C 13 45.2 0.024 . 1 . . . . . . . . 6874 2
480 . 2 2 48 48 GLY HA2 H 1 3.96 0.000 . 1 . . . . . . . . 6874 2
481 . 2 2 48 48 GLY HA3 H 1 3.96 0.000 . 1 . . . . . . . . 6874 2
482 . 2 2 49 49 LEU N N 15 121.2 0.000 . 1 . . . . . . . . 6874 2
483 . 2 2 49 49 LEU H H 1 8.11 0.003 . 1 . . . . . . . . 6874 2
484 . 2 2 49 49 LEU CA C 13 54.9 0.000 . 1 . . . . . . . . 6874 2
485 . 2 2 49 49 LEU HA H 1 4.35 0.000 . 1 . . . . . . . . 6874 2
486 . 2 2 49 49 LEU CB C 13 42.1 0.000 . 1 . . . . . . . . 6874 2
487 . 2 2 49 49 LEU HB2 H 1 1.62 0.000 . 2 . . . . . . . . 6874 2
488 . 2 2 49 49 LEU HD11 H 1 0.92 0.000 . 2 . . . . . . . . 6874 2
489 . 2 2 49 49 LEU HD12 H 1 0.92 0.000 . 2 . . . . . . . . 6874 2
490 . 2 2 49 49 LEU HD13 H 1 0.92 0.000 . 2 . . . . . . . . 6874 2
491 . 2 2 49 49 LEU HD21 H 1 0.87 0.000 . 2 . . . . . . . . 6874 2
492 . 2 2 49 49 LEU HD22 H 1 0.87 0.000 . 2 . . . . . . . . 6874 2
493 . 2 2 49 49 LEU HD23 H 1 0.87 0.000 . 2 . . . . . . . . 6874 2
494 . 2 2 50 50 ASP N N 15 120.9 0.000 . 1 . . . . . . . . 6874 2
495 . 2 2 50 50 ASP H H 1 8.36 0.000 . 1 . . . . . . . . 6874 2
496 . 2 2 50 50 ASP CA C 13 54.5 0.000 . 1 . . . . . . . . 6874 2
497 . 2 2 50 50 ASP HA H 1 4.58 0.002 . 1 . . . . . . . . 6874 2
498 . 2 2 50 50 ASP CB C 13 40.9 0.000 . 1 . . . . . . . . 6874 2
499 . 2 2 50 50 ASP HB2 H 1 2.73 0.001 . 2 . . . . . . . . 6874 2
500 . 2 2 50 50 ASP HB3 H 1 2.64 0.000 . 2 . . . . . . . . 6874 2
501 . 2 2 51 51 VAL N N 15 119.3 0.000 . 1 . . . . . . . . 6874 2
502 . 2 2 51 51 VAL H H 1 7.86 0.002 . 1 . . . . . . . . 6874 2
503 . 2 2 51 51 VAL CA C 13 63.7 0.000 . 1 . . . . . . . . 6874 2
504 . 2 2 51 51 VAL HA H 1 3.95 0.002 . 1 . . . . . . . . 6874 2
505 . 2 2 51 51 VAL CB C 13 32.1 0.000 . 1 . . . . . . . . 6874 2
506 . 2 2 51 51 VAL HB H 1 2.14 0.001 . 1 . . . . . . . . 6874 2
507 . 2 2 51 51 VAL HG11 H 1 0.96 0.001 . 2 . . . . . . . . 6874 2
508 . 2 2 51 51 VAL HG12 H 1 0.96 0.001 . 2 . . . . . . . . 6874 2
509 . 2 2 51 51 VAL HG13 H 1 0.96 0.001 . 2 . . . . . . . . 6874 2
510 . 2 2 51 51 VAL HG21 H 1 0.93 0.003 . 2 . . . . . . . . 6874 2
511 . 2 2 51 51 VAL HG22 H 1 0.93 0.003 . 2 . . . . . . . . 6874 2
512 . 2 2 51 51 VAL HG23 H 1 0.93 0.003 . 2 . . . . . . . . 6874 2
513 . 2 2 51 51 VAL CG1 C 13 21.0 0.000 . 1 . . . . . . . . 6874 2
514 . 2 2 51 51 VAL CG2 C 13 21.3 0.000 . 1 . . . . . . . . 6874 2
515 . 2 2 52 52 LEU N N 15 122.6 0.000 . 1 . . . . . . . . 6874 2
516 . 2 2 52 52 LEU H H 1 8.10 0.000 . 1 . . . . . . . . 6874 2
517 . 2 2 52 52 LEU CA C 13 55.9 0.000 . 1 . . . . . . . . 6874 2
518 . 2 2 52 52 LEU HA H 1 4.22 0.001 . 1 . . . . . . . . 6874 2
519 . 2 2 52 52 LEU CB C 13 41.9 0.000 . 1 . . . . . . . . 6874 2
520 . 2 2 52 52 LEU HB2 H 1 1.65 0.004 . 2 . . . . . . . . 6874 2
521 . 2 2 52 52 LEU HD11 H 1 0.90 0.001 . 2 . . . . . . . . 6874 2
522 . 2 2 52 52 LEU HD12 H 1 0.90 0.001 . 2 . . . . . . . . 6874 2
523 . 2 2 52 52 LEU HD13 H 1 0.90 0.001 . 2 . . . . . . . . 6874 2
524 . 2 2 52 52 LEU HD21 H 1 0.84 0.001 . 2 . . . . . . . . 6874 2
525 . 2 2 52 52 LEU HD22 H 1 0.84 0.001 . 2 . . . . . . . . 6874 2
526 . 2 2 52 52 LEU HD23 H 1 0.84 0.001 . 2 . . . . . . . . 6874 2
527 . 2 2 52 52 LEU CD1 C 13 25.1 0.000 . 1 . . . . . . . . 6874 2
528 . 2 2 52 52 LEU CD2 C 13 23.7 0.000 . 1 . . . . . . . . 6874 2
529 . 2 2 53 53 SER N N 15 115.3 0.000 . 1 . . . . . . . . 6874 2
530 . 2 2 53 53 SER H H 1 8.07 0.001 . 1 . . . . . . . . 6874 2
531 . 2 2 53 53 SER CA C 13 59.4 0.000 . 1 . . . . . . . . 6874 2
532 . 2 2 53 53 SER HA H 1 4.29 0.003 . 1 . . . . . . . . 6874 2
533 . 2 2 53 53 SER CB C 13 63.0 0.000 . 1 . . . . . . . . 6874 2
534 . 2 2 53 53 SER HB2 H 1 3.92 0.004 . 2 . . . . . . . . 6874 2
535 . 2 2 53 53 SER HB3 H 1 3.84 0.000 . 2 . . . . . . . . 6874 2
536 . 2 2 56 56 VAL N N 15 124.0 0.000 . 1 . . . . . . . . 6874 2
537 . 2 2 56 56 VAL H H 1 8.16 0.000 . 1 . . . . . . . . 6874 2
538 . 2 2 56 56 VAL CA C 13 59.6 0.000 . 1 . . . . . . . . 6874 2
539 . 2 2 56 56 VAL HA H 1 4.38 0.003 . 1 . . . . . . . . 6874 2
540 . 2 2 56 56 VAL CB C 13 32.6 0.000 . 1 . . . . . . . . 6874 2
541 . 2 2 56 56 VAL HB H 1 2.09 0.000 . 1 . . . . . . . . 6874 2
542 . 2 2 56 56 VAL HG11 H 1 0.93 0.006 . 2 . . . . . . . . 6874 2
543 . 2 2 56 56 VAL HG12 H 1 0.93 0.006 . 2 . . . . . . . . 6874 2
544 . 2 2 56 56 VAL HG13 H 1 0.93 0.006 . 2 . . . . . . . . 6874 2
545 . 2 2 56 56 VAL HG21 H 1 0.91 0.004 . 2 . . . . . . . . 6874 2
546 . 2 2 56 56 VAL HG22 H 1 0.91 0.004 . 2 . . . . . . . . 6874 2
547 . 2 2 56 56 VAL HG23 H 1 0.91 0.004 . 2 . . . . . . . . 6874 2
548 . 2 2 56 56 VAL CG1 C 13 21.0 0.000 . 1 . . . . . . . . 6874 2
549 . 2 2 56 56 VAL CG2 C 13 20.5 0.000 . 1 . . . . . . . . 6874 2
550 . 2 2 57 57 PRO CD C 13 50.8 0.000 . 1 . . . . . . . . 6874 2
551 . 2 2 57 57 PRO CA C 13 63.0 0.000 . 1 . . . . . . . . 6874 2
552 . 2 2 57 57 PRO HA H 1 4.42 0.001 . 1 . . . . . . . . 6874 2
553 . 2 2 57 57 PRO CB C 13 32.0 0.000 . 1 . . . . . . . . 6874 2
554 . 2 2 57 57 PRO HB2 H 1 2.28 0.004 . 2 . . . . . . . . 6874 2
555 . 2 2 57 57 PRO HB3 H 1 1.89 0.002 . 2 . . . . . . . . 6874 2
556 . 2 2 57 57 PRO CG C 13 27.4 0.000 . 1 . . . . . . . . 6874 2
557 . 2 2 57 57 PRO HG2 H 1 2.04 0.003 . 2 . . . . . . . . 6874 2
558 . 2 2 57 57 PRO HG3 H 1 1.95 0.001 . 2 . . . . . . . . 6874 2
559 . 2 2 57 57 PRO HD2 H 1 3.82 0.002 . 2 . . . . . . . . 6874 2
560 . 2 2 57 57 PRO HD3 H 1 3.62 0.001 . 2 . . . . . . . . 6874 2
561 . 2 2 58 58 ARG N N 15 122.3 0.000 . 1 . . . . . . . . 6874 2
562 . 2 2 58 58 ARG H H 1 8.51 0.000 . 1 . . . . . . . . 6874 2
563 . 2 2 58 58 ARG CA C 13 56.5 0.000 . 1 . . . . . . . . 6874 2
564 . 2 2 58 58 ARG HA H 1 4.27 0.000 . 1 . . . . . . . . 6874 2
565 . 2 2 58 58 ARG CB C 13 30.7 0.000 . 1 . . . . . . . . 6874 2
566 . 2 2 58 58 ARG HB2 H 1 1.86 0.001 . 2 . . . . . . . . 6874 2
567 . 2 2 58 58 ARG HB3 H 1 1.80 0.000 . 2 . . . . . . . . 6874 2
568 . 2 2 58 58 ARG CG C 13 26.9 0.000 . 1 . . . . . . . . 6874 2
569 . 2 2 58 58 ARG HG2 H 1 1.67 0.000 . 1 . . . . . . . . 6874 2
570 . 2 2 58 58 ARG HG3 H 1 1.67 0.001 . 1 . . . . . . . . 6874 2
571 . 2 2 58 58 ARG CD C 13 43.3 0.000 . 1 . . . . . . . . 6874 2
572 . 2 2 58 58 ARG HD2 H 1 3.19 0.002 . 1 . . . . . . . . 6874 2
573 . 2 2 58 58 ARG HD3 H 1 3.19 0.002 . 1 . . . . . . . . 6874 2
574 . 2 2 59 59 GLY N N 15 110.8 0.000 . 1 . . . . . . . . 6874 2
575 . 2 2 59 59 GLY H H 1 8.54 0.003 . 1 . . . . . . . . 6874 2
576 . 2 2 59 59 GLY CA C 13 45.1 0.003 . 1 . . . . . . . . 6874 2
577 . 2 2 59 59 GLY HA2 H 1 3.97 0.000 . 1 . . . . . . . . 6874 2
578 . 2 2 59 59 GLY HA3 H 1 3.97 0.000 . 1 . . . . . . . . 6874 2
579 . 2 2 60 60 SER N N 15 116.0 0.000 . 1 . . . . . . . . 6874 2
580 . 2 2 60 60 SER H H 1 8.19 0.001 . 1 . . . . . . . . 6874 2
581 . 2 2 60 60 SER CA C 13 58.6 0.000 . 1 . . . . . . . . 6874 2
582 . 2 2 60 60 SER HA H 1 4.42 0.001 . 1 . . . . . . . . 6874 2
583 . 2 2 60 60 SER CB C 13 63.7 0.000 . 1 . . . . . . . . 6874 2
584 . 2 2 60 60 SER HB2 H 1 3.88 0.002 . 2 . . . . . . . . 6874 2
585 . 2 2 60 60 SER HB3 H 1 3.83 0.002 . 2 . . . . . . . . 6874 2
586 . 2 2 61 61 LEU N N 15 124.2 0.000 . 1 . . . . . . . . 6874 2
587 . 2 2 61 61 LEU H H 1 8.33 0.002 . 1 . . . . . . . . 6874 2
588 . 2 2 61 61 LEU CA C 13 55.2 0.000 . 1 . . . . . . . . 6874 2
589 . 2 2 61 61 LEU HA H 1 4.33 0.002 . 1 . . . . . . . . 6874 2
590 . 2 2 61 61 LEU CB C 13 42.1 0.000 . 1 . . . . . . . . 6874 2
591 . 2 2 61 61 LEU HB2 H 1 1.59 0.004 . 2 . . . . . . . . 6874 2
592 . 2 2 61 61 LEU HB3 H 1 1.55 0.000 . 2 . . . . . . . . 6874 2
593 . 2 2 61 61 LEU CG C 13 26.9 0.000 . 1 . . . . . . . . 6874 2
594 . 2 2 61 61 LEU HG H 1 1.69 0.012 . 1 . . . . . . . . 6874 2
595 . 2 2 61 61 LEU HD11 H 1 0.89 0.001 . 2 . . . . . . . . 6874 2
596 . 2 2 61 61 LEU HD12 H 1 0.89 0.001 . 2 . . . . . . . . 6874 2
597 . 2 2 61 61 LEU HD13 H 1 0.89 0.001 . 2 . . . . . . . . 6874 2
598 . 2 2 61 61 LEU HD21 H 1 0.83 0.001 . 2 . . . . . . . . 6874 2
599 . 2 2 61 61 LEU HD22 H 1 0.83 0.001 . 2 . . . . . . . . 6874 2
600 . 2 2 61 61 LEU HD23 H 1 0.83 0.001 . 2 . . . . . . . . 6874 2
601 . 2 2 61 61 LEU CD1 C 13 25.3 0.000 . 1 . . . . . . . . 6874 2
602 . 2 2 61 61 LEU CD2 C 13 23.4 0.000 . 1 . . . . . . . . 6874 2
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