data_16186
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16186
_Entry.Title
;
Solution NMR structure of PSPTO_3016 from Pseudomonas syringae. Northeast Structural Genomics Consortium target PsR293.
;
_Entry.Type .
_Entry.Version_type original
_Entry.Submission_date 2009-02-24
_Entry.Accession_date 2009-02-24
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.13
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Erik Feldmann . A. . 16186
2 Theresa Ramelot . A. . 16186
3 Li Zhao . . . 16186
4 Keith Hamilton . . . 16186
5 Colleen Ciccosanti . . . 16186
6 Rong Xiao . . . 16186
7 Rajesh Nair . . . 16186
8 John Everett . K. . 16186
9 G.V.T. Swapna . . . 16186
10 Thomas Acton . B. . 16186
11 Burkhard Rost . . . 16186
12 Gaetano Montelione . T. . 16186
13 Michael Kennedy . A. . 16186
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16186
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
alpha . 16186
beta . 16186
double-wing . 16186
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 16186
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 561 16186
'15N chemical shifts' 124 16186
'1H chemical shifts' 884 16186
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
3 . . 2010-05-27 2009-02-24 update BMRB 'edit entity/assembly name' 16186
2 . . 2009-06-01 2009-02-24 update BMRB 'added time domain data' 16186
1 . . 2009-03-05 2009-02-24 original author 'original release' 16186
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 16186
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title 'Solution NMR structure of PSPTO_3016 from Pseudomonas syringae. Northeast Structural Genomics Consortium target PsR293.'
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'Not known'
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Erik Feldmann . A. . 16186 1
2 Theresa Ramelot . A. . 16186 1
3 Li Zhao . . . 16186 1
4 Keith Hamilton . . . 16186 1
5 Colleen Ciccosanti . . . 16186 1
6 Rong Xiao . . . 16186 1
7 Rajesh Nair . . . 16186 1
8 John Everett . K. . 16186 1
9 G.V.T. Swapna . . . 16186 1
10 Thomas Acton . B. . 16186 1
11 Burkhard Rost . . . 16186 1
12 Gaetano Montelione . T. . 16186 1
13 Michael Kennedy . A. . 16186 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 16186
_Assembly.ID 1
_Assembly.Name PSPTO_3016
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 PSPTO_3016 1 $entity A . yes native no no . . . 16186 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity
_Entity.Sf_category entity
_Entity.Sf_framecode entity
_Entity.Entry_ID 16186
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name PSPTO_3016
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can
;
MNRQQFIDYAQKKYDTKPDH
PWEKFPDYAVFRHSDNDKWY
ALLMDIPAEKIGINGDKRVD
VIDLKVQPELVGSLRKKPGI
YPAYHMNKEHWITVLLNGPL
GAKEIHSLIEDSFQLTRLEH
HHHHH
;
_Entity.Polymer_seq_one_letter_code
;
MNRQQFIDYAQKKYDTKPDH
PWEKFPDYAVFRHSDNDKWY
ALLMDIPAEKIGINGDKRVD
VIDLKVQPELVGSLRKKPGI
YPAYHMNKEHWITVLLNGPL
GAKEIHSLIEDSFQLTRLEH
HHHHH
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details 'full length followed by 8 non-native C-terminal residues (LEHHHHHH)'
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 125
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 14802
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2KFP . "Solution Nmr Structure Of Pspto_3016 From Pseudomonas Syringae. Northeast Structural Genomics Consortium Target Psr293" . . . . . 100.00 125 100.00 100.00 4.50e-86 . . . . 16186 1
2 no PDB 3H9X . "Crystal Structure Of The Pspto_3016 Protein From Pseudomonas Syringae, Northeast Structural Genomics Consortium Target Psr293" . . . . . 99.20 125 98.39 98.39 5.38e-83 . . . . 16186 1
3 no GB AAO56506 . "conserved hypothetical protein [Pseudomonas syringae pv. tomato str. DC3000]" . . . . . 93.60 117 100.00 100.00 8.21e-80 . . . . 16186 1
4 no GB EEB58193 . "conserved hypothetical protein [Pseudomonas syringae pv. tomato T1]" . . . . . 93.60 117 99.15 99.15 3.39e-79 . . . . 16186 1
5 no GB EGH95472 . "hypothetical protein PLA106_05602 [Pseudomonas amygdali pv. lachrymans str. M302278]" . . . . . 59.20 74 100.00 100.00 1.34e-44 . . . . 16186 1
6 no GB KGK93803 . "hypothetical protein NB04_19785 [Pseudomonas syringae pv. tomato]" . . . . . 93.60 117 99.15 99.15 3.39e-79 . . . . 16186 1
7 no GB KKI26969 . "hypothetical protein WX98_06435 [Pseudomonas syringae pv. persicae]" . . . . . 93.60 117 100.00 100.00 8.21e-80 . . . . 16186 1
8 no REF NP_792811 . "hypothetical protein PSPTO_3016 [Pseudomonas syringae pv. tomato str. DC3000]" . . . . . 93.60 117 100.00 100.00 8.21e-80 . . . . 16186 1
9 no REF WP_007246459 . "MULTISPECIES: hypothetical protein [Pseudomonas syringae group]" . . . . . 93.60 117 99.15 99.15 3.39e-79 . . . . 16186 1
10 no REF WP_011104332 . "hypothetical protein [Pseudomonas syringae group genomosp. 3]" . . . . . 93.60 117 100.00 100.00 8.21e-80 . . . . 16186 1
11 no REF WP_044389995 . "hypothetical protein [Pseudomonas syringae group genomosp. 3]" . . . . . 93.60 117 98.29 99.15 7.69e-79 . . . . 16186 1
12 no REF WP_057415793 . "hypothetical protein [Pseudomonas syringae group genomosp. 3]" . . . . . 93.60 117 98.29 98.29 2.15e-78 . . . . 16186 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 . MET . 16186 1
2 . ASN . 16186 1
3 . ARG . 16186 1
4 . GLN . 16186 1
5 . GLN . 16186 1
6 . PHE . 16186 1
7 . ILE . 16186 1
8 . ASP . 16186 1
9 . TYR . 16186 1
10 . ALA . 16186 1
11 . GLN . 16186 1
12 . LYS . 16186 1
13 . LYS . 16186 1
14 . TYR . 16186 1
15 . ASP . 16186 1
16 . THR . 16186 1
17 . LYS . 16186 1
18 . PRO . 16186 1
19 . ASP . 16186 1
20 . HIS . 16186 1
21 . PRO . 16186 1
22 . TRP . 16186 1
23 . GLU . 16186 1
24 . LYS . 16186 1
25 . PHE . 16186 1
26 . PRO . 16186 1
27 . ASP . 16186 1
28 . TYR . 16186 1
29 . ALA . 16186 1
30 . VAL . 16186 1
31 . PHE . 16186 1
32 . ARG . 16186 1
33 . HIS . 16186 1
34 . SER . 16186 1
35 . ASP . 16186 1
36 . ASN . 16186 1
37 . ASP . 16186 1
38 . LYS . 16186 1
39 . TRP . 16186 1
40 . TYR . 16186 1
41 . ALA . 16186 1
42 . LEU . 16186 1
43 . LEU . 16186 1
44 . MET . 16186 1
45 . ASP . 16186 1
46 . ILE . 16186 1
47 . PRO . 16186 1
48 . ALA . 16186 1
49 . GLU . 16186 1
50 . LYS . 16186 1
51 . ILE . 16186 1
52 . GLY . 16186 1
53 . ILE . 16186 1
54 . ASN . 16186 1
55 . GLY . 16186 1
56 . ASP . 16186 1
57 . LYS . 16186 1
58 . ARG . 16186 1
59 . VAL . 16186 1
60 . ASP . 16186 1
61 . VAL . 16186 1
62 . ILE . 16186 1
63 . ASP . 16186 1
64 . LEU . 16186 1
65 . LYS . 16186 1
66 . VAL . 16186 1
67 . GLN . 16186 1
68 . PRO . 16186 1
69 . GLU . 16186 1
70 . LEU . 16186 1
71 . VAL . 16186 1
72 . GLY . 16186 1
73 . SER . 16186 1
74 . LEU . 16186 1
75 . ARG . 16186 1
76 . LYS . 16186 1
77 . LYS . 16186 1
78 . PRO . 16186 1
79 . GLY . 16186 1
80 . ILE . 16186 1
81 . TYR . 16186 1
82 . PRO . 16186 1
83 . ALA . 16186 1
84 . TYR . 16186 1
85 . HIS . 16186 1
86 . MET . 16186 1
87 . ASN . 16186 1
88 . LYS . 16186 1
89 . GLU . 16186 1
90 . HIS . 16186 1
91 . TRP . 16186 1
92 . ILE . 16186 1
93 . THR . 16186 1
94 . VAL . 16186 1
95 . LEU . 16186 1
96 . LEU . 16186 1
97 . ASN . 16186 1
98 . GLY . 16186 1
99 . PRO . 16186 1
100 . LEU . 16186 1
101 . GLY . 16186 1
102 . ALA . 16186 1
103 . LYS . 16186 1
104 . GLU . 16186 1
105 . ILE . 16186 1
106 . HIS . 16186 1
107 . SER . 16186 1
108 . LEU . 16186 1
109 . ILE . 16186 1
110 . GLU . 16186 1
111 . ASP . 16186 1
112 . SER . 16186 1
113 . PHE . 16186 1
114 . GLN . 16186 1
115 . LEU . 16186 1
116 . THR . 16186 1
117 . ARG . 16186 1
118 . LEU . 16186 1
119 . GLU . 16186 1
120 . HIS . 16186 1
121 . HIS . 16186 1
122 . HIS . 16186 1
123 . HIS . 16186 1
124 . HIS . 16186 1
125 . HIS . 16186 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 16186 1
. ASN 2 2 16186 1
. ARG 3 3 16186 1
. GLN 4 4 16186 1
. GLN 5 5 16186 1
. PHE 6 6 16186 1
. ILE 7 7 16186 1
. ASP 8 8 16186 1
. TYR 9 9 16186 1
. ALA 10 10 16186 1
. GLN 11 11 16186 1
. LYS 12 12 16186 1
. LYS 13 13 16186 1
. TYR 14 14 16186 1
. ASP 15 15 16186 1
. THR 16 16 16186 1
. LYS 17 17 16186 1
. PRO 18 18 16186 1
. ASP 19 19 16186 1
. HIS 20 20 16186 1
. PRO 21 21 16186 1
. TRP 22 22 16186 1
. GLU 23 23 16186 1
. LYS 24 24 16186 1
. PHE 25 25 16186 1
. PRO 26 26 16186 1
. ASP 27 27 16186 1
. TYR 28 28 16186 1
. ALA 29 29 16186 1
. VAL 30 30 16186 1
. PHE 31 31 16186 1
. ARG 32 32 16186 1
. HIS 33 33 16186 1
. SER 34 34 16186 1
. ASP 35 35 16186 1
. ASN 36 36 16186 1
. ASP 37 37 16186 1
. LYS 38 38 16186 1
. TRP 39 39 16186 1
. TYR 40 40 16186 1
. ALA 41 41 16186 1
. LEU 42 42 16186 1
. LEU 43 43 16186 1
. MET 44 44 16186 1
. ASP 45 45 16186 1
. ILE 46 46 16186 1
. PRO 47 47 16186 1
. ALA 48 48 16186 1
. GLU 49 49 16186 1
. LYS 50 50 16186 1
. ILE 51 51 16186 1
. GLY 52 52 16186 1
. ILE 53 53 16186 1
. ASN 54 54 16186 1
. GLY 55 55 16186 1
. ASP 56 56 16186 1
. LYS 57 57 16186 1
. ARG 58 58 16186 1
. VAL 59 59 16186 1
. ASP 60 60 16186 1
. VAL 61 61 16186 1
. ILE 62 62 16186 1
. ASP 63 63 16186 1
. LEU 64 64 16186 1
. LYS 65 65 16186 1
. VAL 66 66 16186 1
. GLN 67 67 16186 1
. PRO 68 68 16186 1
. GLU 69 69 16186 1
. LEU 70 70 16186 1
. VAL 71 71 16186 1
. GLY 72 72 16186 1
. SER 73 73 16186 1
. LEU 74 74 16186 1
. ARG 75 75 16186 1
. LYS 76 76 16186 1
. LYS 77 77 16186 1
. PRO 78 78 16186 1
. GLY 79 79 16186 1
. ILE 80 80 16186 1
. TYR 81 81 16186 1
. PRO 82 82 16186 1
. ALA 83 83 16186 1
. TYR 84 84 16186 1
. HIS 85 85 16186 1
. MET 86 86 16186 1
. ASN 87 87 16186 1
. LYS 88 88 16186 1
. GLU 89 89 16186 1
. HIS 90 90 16186 1
. TRP 91 91 16186 1
. ILE 92 92 16186 1
. THR 93 93 16186 1
. VAL 94 94 16186 1
. LEU 95 95 16186 1
. LEU 96 96 16186 1
. ASN 97 97 16186 1
. GLY 98 98 16186 1
. PRO 99 99 16186 1
. LEU 100 100 16186 1
. GLY 101 101 16186 1
. ALA 102 102 16186 1
. LYS 103 103 16186 1
. GLU 104 104 16186 1
. ILE 105 105 16186 1
. HIS 106 106 16186 1
. SER 107 107 16186 1
. LEU 108 108 16186 1
. ILE 109 109 16186 1
. GLU 110 110 16186 1
. ASP 111 111 16186 1
. SER 112 112 16186 1
. PHE 113 113 16186 1
. GLN 114 114 16186 1
. LEU 115 115 16186 1
. THR 116 116 16186 1
. ARG 117 117 16186 1
. LEU 118 118 16186 1
. GLU 119 119 16186 1
. HIS 120 120 16186 1
. HIS 121 121 16186 1
. HIS 122 122 16186 1
. HIS 123 123 16186 1
. HIS 124 124 16186 1
. HIS 125 125 16186 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 16186
_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 $entity . 317 organism . 'Pseudomonas syringae' 'Pseudomonas syringae' . . Bacteria . Pseudomonas syringae . . . . . . . . . . . . . . . . PSPTO_3016 . . . . 16186 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 16186
_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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMGK . . . . . . . . . . . . . . . pET21-23C . . . . . . 16186 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_NC_sample
_Sample.Sf_category sample
_Sample.Sf_framecode NC_sample
_Sample.Entry_ID 16186
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.1 . . mM 0.1 . . . 16186 1
2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 16186 1
3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 16186 1
4 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16186 1
5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16186 1
6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16186 1
7 DSS 'natural abundance' . . . . . . 50 . . uM 2.5 . . . 16186 1
8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16186 1
9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16186 1
stop_
save_
save_NC5_sample
_Sample.Sf_category sample
_Sample.Sf_framecode NC5_sample
_Sample.Entry_ID 16186
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 entity '[U-5% 13C; U-100% 15N]' . . 1 $entity . . 1.1 . . mM 0.1 . . . 16186 2
2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 16186 2
3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 16186 2
4 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16186 2
5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16186 2
6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16186 2
7 DSS 'natural abundance' . . . . . . 50 . . uM 2.5 . . . 16186 2
8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16186 2
9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16186 2
stop_
save_
save_NC_sample_in_D2O
_Sample.Sf_category sample
_Sample.Sf_framecode NC_sample_in_D2O
_Sample.Entry_ID 16186
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '100% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.0 . . mM 0.1 . . . 16186 3
2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 16186 3
3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 16186 3
4 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 16186 3
5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 16186 3
6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 16186 3
7 DSS 'natural abundance' . . . . . . 50 . . uM 2.5 . . . 16186 3
8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16186 3
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 16186
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.1 0.01 M 16186 1
pH 4.5 0.1 pH 16186 1
pressure 1 . atm 16186 1
temperature 293 1 K 16186 1
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 16186
_Software.ID 1
_Software.Name NMRPipe
_Software.Version 2008
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16186 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 16186 1
stop_
save_
save_VNMR
_Software.Sf_category software
_Software.Sf_framecode VNMR
_Software.Entry_ID 16186
_Software.ID 2
_Software.Name VNMR
_Software.Version 6.1C
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Varian . . 16186 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 16186 2
stop_
save_
save_TOPSPIN
_Software.Sf_category software
_Software.Sf_framecode TOPSPIN
_Software.Entry_ID 16186
_Software.ID 3
_Software.Name TOPSPIN
_Software.Version 2.1.3
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bruker Biospin' . . 16186 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 16186 3
stop_
save_
save_AutoStructure
_Software.Sf_category software
_Software.Sf_framecode AutoStructure
_Software.Entry_ID 16186
_Software.ID 4
_Software.Name AutoStruct
_Software.Version 2.2.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Huang, Tejero, Powers and Montelione' . . 16186 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 16186 4
stop_
save_
save_X-PLOR_NIH
_Software.Sf_category software
_Software.Sf_framecode X-PLOR_NIH
_Software.Entry_ID 16186
_Software.ID 5
_Software.Name 'X-PLOR NIH'
_Software.Version 2.20
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Schwieters, Kuszewski, Tjandra and Clore' . . 16186 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 16186 5
stop_
save_
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 16186
_Software.ID 6
_Software.Name SPARKY
_Software.Version 3.113
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 16186 6
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 16186 6
stop_
save_
save_PSVS
_Software.Sf_category software
_Software.Sf_framecode PSVS
_Software.Entry_ID 16186
_Software.ID 7
_Software.Name PSVS
_Software.Version 1.3
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bhattacharya and Montelione' . . 16186 7
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 16186 7
stop_
save_
save_AutoAssign
_Software.Sf_category software
_Software.Sf_framecode AutoAssign
_Software.Entry_ID 16186
_Software.ID 8
_Software.Name AutoAssign
_Software.Version 2.3.0
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Zimmerman, Moseley, Kulikowski and Montelione' . . 16186 8
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 16186 8
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_600
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_600
_NMR_spectrometer.Entry_ID 16186
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details 'cold probe'
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_850
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_850
_NMR_spectrometer.Entry_ID 16186
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AvanceIII
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 850
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 16186
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_600 Varian INOVA . 600 'cold probe' . . 16186 1
2 spectrometer_850 Bruker AvanceIII . 850 . . . 16186 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 16186
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' yes 1 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1
2 '2D 1H-13C HSQC' yes 2 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1
3 '2D 1H-13C HSQC' yes 3 . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1
4 '2D 1H-15N HSQC (swN)' yes 4 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1
5 '3D 1H-15N NOESY' yes 5 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1
6 '3D 1H-13C NOESY (aliph)' yes 6 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1
7 '2D 1H-13C HSQC' yes 7 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1
8 '4D CC NOESY' yes 8 . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1
9 '3D HNCO' yes 9 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1
10 '3D HNCA' yes 10 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1
11 '3D HNCACB' yes 11 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1
12 '3D CBCA(CO)NH' yes 12 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1
13 '3D HBHA(CO)NH' yes 13 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1
14 '3D H(C)CH-TOCSY' yes 14 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1
15 '3D (H)CCH-TOCSY' yes 15 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1
16 '3D CBCA(CO)NH' yes 16 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1
17 '3D H(CCO)NH' yes 17 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1
18 '3D HN(CO)CA' yes 18 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1
19 '3D C(CO)NH' yes 19 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1
20 '3D H(C)CH COSY' yes 20 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1
21 '2D 1H-15N HSQC (NH2 only)' yes 21 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 16186 1
22 '3D 1H-13C NOESY (arom)' yes 22 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 16186 1
stop_
save_
save_NMR_spectrometer_expt_1
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name '2D 1H-15N 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 2
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_850
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/2_Nhsqc_6_18_08.bruker/' . . . . . . . 16186 1
pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/2_Nhsqc_6_18_08.bruker/' . . . . . . . 16186 1
ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/2_Nhsqc_6_18_08.bruker/' . . . . . . . 16186 1
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/2_Nhsqc_6_18_08.bruker/' . . . . . . . 16186 1
stop_
save_
save_NMR_spectrometer_expt_2
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 2
_NMR_spec_expt.Name '2D 1H-13C 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 2
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_850
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/3_Chsqc_6_18_08.bruker/' . . . . . . . 16186 2
pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/3_Chsqc_6_18_08.bruker/' . . . . . . . 16186 2
ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/3_Chsqc_6_18_08.bruker/' . . . . . . . 16186 2
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/3_Chsqc_6_18_08.bruker/' . . . . . . . 16186 2
stop_
save_
save_NMR_spectrometer_expt_3
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 3
_NMR_spec_expt.Name '2D 1H-13C 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 2
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_850
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/6_nc5_Chsqc_ct_8_13_08.850mhz/' . . . . . . . 16186 3
pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/6_nc5_Chsqc_ct_8_13_08.850mhz/' . . . . . . . 16186 3
ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/6_nc5_Chsqc_ct_8_13_08.850mhz/' . . . . . . . 16186 3
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/6_nc5_Chsqc_ct_8_13_08.850mhz/' . . . . . . . 16186 3
stop_
save_
save_NMR_spectrometer_expt_4
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 4
_NMR_spec_expt.Name '2D 1H-15N HSQC (swN)'
_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 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_600
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Nhsqc_swN150p_7_25_08.fid/' . . . . . . . 16186 4
procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Nhsqc_swN150p_7_25_08.fid/' . . . . . . . 16186 4
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Nhsqc_swN150p_7_25_08.fid/' . . . . . . . 16186 4
stop_
save_
save_NMR_spectrometer_expt_5
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 5
_NMR_spec_expt.Name '3D 1H-15N 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 2
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_850
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/21_Nnoesy_6_21_08.bruker/' . . . . . . . 16186 5
pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/21_Nnoesy_6_21_08.bruker/' . . . . . . . 16186 5
ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/21_Nnoesy_6_21_08.bruker/' . . . . . . . 16186 5
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/21_Nnoesy_6_21_08.bruker/' . . . . . . . 16186 5
stop_
save_
save_NMR_spectrometer_expt_6
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 6
_NMR_spec_expt.Name '3D 1H-13C NOESY (aliph)'
_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 2
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_850
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/22_Cnoesy_aliph_7_2_08.bruker/' . . . . . . . 16186 6
pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/22_Cnoesy_aliph_7_2_08.bruker/' . . . . . . . 16186 6
ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/22_Cnoesy_aliph_7_2_08.bruker/' . . . . . . . 16186 6
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/22_Cnoesy_aliph_7_2_08.bruker/' . . . . . . . 16186 6
stop_
save_
save_NMR_spectrometer_expt_7
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 7
_NMR_spec_expt.Name '2D 1H-13C 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 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_600
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Chsqc_arom_ct_8_8_08.fid/' . . . . . . . 16186 7
procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Chsqc_arom_ct_8_8_08.fid/' . . . . . . . 16186 7
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Chsqc_arom_ct_8_8_08.fid/' . . . . . . . 16186 7
stop_
save_
save_NMR_spectrometer_expt_8
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 8
_NMR_spec_expt.Name '4D CC 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 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_600
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_d2o_4d_cc_noesy_8_29_08.fid/' . . . . . . . 16186 8
procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_d2o_4d_cc_noesy_8_29_08.fid/' . . . . . . . 16186 8
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_d2o_4d_cc_noesy_8_29_08.fid/' . . . . . . . 16186 8
stop_
save_
save_NMR_spectrometer_expt_9
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 9
_NMR_spec_expt.Name '3D HNCO'
_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 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_600
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_hnco_06_18_08.fid/' . . . . . . . 16186 9
procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_hnco_06_18_08.fid/' . . . . . . . 16186 9
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_hnco_06_18_08.fid/' . . . . . . . 16186 9
stop_
save_
save_NMR_spectrometer_expt_10
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 10
_NMR_spec_expt.Name '3D HNCA'
_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 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_600
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_hnca_06_18_08.fid/' . . . . . . . 16186 10
procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_hnca_06_18_08.fid/' . . . . . . . 16186 10
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_hnca_06_18_08.fid/' . . . . . . . 16186 10
stop_
save_
save_NMR_spectrometer_expt_11
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 11
_NMR_spec_expt.Name '3D 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 2
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_850
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/39_hncacb_7_13_08.bruker/' . . . . . . . 16186 11
pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/39_hncacb_7_13_08.bruker/' . . . . . . . 16186 11
ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/39_hncacb_7_13_08.bruker/' . . . . . . . 16186 11
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/39_hncacb_7_13_08.bruker/' . . . . . . . 16186 11
stop_
save_
save_NMR_spectrometer_expt_12
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 12
_NMR_spec_expt.Name '3D 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 2
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_850
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/38_cbcaconh_7_17_08.bruker/' . . . . . . . 16186 12
pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/38_cbcaconh_7_17_08.bruker/' . . . . . . . 16186 12
ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/38_cbcaconh_7_17_08.bruker/' . . . . . . . 16186 12
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/38_cbcaconh_7_17_08.bruker/' . . . . . . . 16186 12
stop_
save_
save_NMR_spectrometer_expt_13
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 13
_NMR_spec_expt.Name '3D HBHA(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 2
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_850
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
acqu 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/33_hbhaconh_7_5_08.bruker/' . . . . . . . 16186 13
pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/33_hbhaconh_7_5_08.bruker/' . . . . . . . 16186 13
ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/33_hbhaconh_7_5_08.bruker/' . . . . . . . 16186 13
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/33_hbhaconh_7_5_08.bruker/' . . . . . . . 16186 13
stop_
save_
save_NMR_spectrometer_expt_14
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 14
_NMR_spec_expt.Name '3D H(C)CH-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 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_600
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcch_tocsy_7_31_08.fid/' . . . . . . . 16186 14
procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcch_tocsy_7_31_08.fid/' . . . . . . . 16186 14
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcch_tocsy_7_31_08.fid/' . . . . . . . 16186 14
stop_
save_
save_NMR_spectrometer_expt_15
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_15
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 15
_NMR_spec_expt.Name '3D (H)CCH-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 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_600
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_cch_tocsy_8_25_08.fid/' . . . . . . . 16186 15
procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_cch_tocsy_8_25_08.fid/' . . . . . . . 16186 15
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_cch_tocsy_8_25_08.fid/' . . . . . . . 16186 15
stop_
save_
save_NMR_spectrometer_expt_16
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_16
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 16
_NMR_spec_expt.Name '3D 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 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_600
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_cbcaconh_8_6_08.fid/' . . . . . . . 16186 16
procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_cbcaconh_8_6_08.fid/' . . . . . . . 16186 16
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_cbcaconh_8_6_08.fid/' . . . . . . . 16186 16
stop_
save_
save_NMR_spectrometer_expt_17
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_17
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 17
_NMR_spec_expt.Name '3D H(CCO)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 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_600
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcconh_tocsy_7_27_08.fid/' . . . . . . . 16186 17
procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcconh_tocsy_7_27_08.fid/' . . . . . . . 16186 17
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcconh_tocsy_7_27_08.fid/' . . . . . . . 16186 17
stop_
save_
save_NMR_spectrometer_expt_18
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_18
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 18
_NMR_spec_expt.Name '3D HN(CO)CA'
_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 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_600
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hncoca_7_25_08.fid/' . . . . . . . 16186 18
procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hncoca_7_25_08.fid/' . . . . . . . 16186 18
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hncoca_7_25_08.fid/' . . . . . . . 16186 18
stop_
save_
save_NMR_spectrometer_expt_19
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_19
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 19
_NMR_spec_expt.Name '3D C(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 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_600
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_ccconh_tocsy_7_29_08.fid/' . . . . . . . 16186 19
procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_ccconh_tocsy_7_29_08.fid/' . . . . . . . 16186 19
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_ccconh_tocsy_7_29_08.fid/' . . . . . . . 16186 19
stop_
save_
save_NMR_spectrometer_expt_20
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_20
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 20
_NMR_spec_expt.Name '3D H(C)CH COSY'
_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 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_600
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcch_cosy_8_8_08.fid/' . . . . . . . 16186 20
procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcch_cosy_8_8_08.fid/' . . . . . . . 16186 20
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_hcch_cosy_8_8_08.fid/' . . . . . . . 16186 20
stop_
save_
save_NMR_spectrometer_expt_21
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_21
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 21
_NMR_spec_expt.Name '2D 1H-15N HSQC (NH2 only)'
_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 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_600
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_Nhsqc_nh2only_7_29_08.fid/' . . . . . . . 16186 21
procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_Nhsqc_nh2only_7_29_08.fid/' . . . . . . . 16186 21
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/PsR293_Nhsqc_nh2only_7_29_08.fid/' . . . . . . . 16186 21
stop_
save_
save_NMR_spectrometer_expt_22
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_22
_NMR_spec_expt.Entry_ID 16186
_NMR_spec_expt.ID 22
_NMR_spec_expt.Name '3D 1H-13C NOESY (arom)'
_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 2
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_850
_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 .
loop_
_NMR_experiment_file.Name
_NMR_experiment_file.Type
_NMR_experiment_file.Directory_path
_NMR_experiment_file.Byte_order
_NMR_experiment_file.Bytes_per_data_point
_NMR_experiment_file.File_header_size
_NMR_experiment_file.Record_header_size
_NMR_experiment_file.Record_trailer_size
_NMR_experiment_file.Compression_algorithm
_NMR_experiment_file.Details
_NMR_experiment_file.Entry_ID
_NMR_experiment_file.NMR_spec_expt_ID
fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Chsqc_arom_ct_8_8_08.fid/' . . . . . . . 16186 22
procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Chsqc_arom_ct_8_8_08.fid/' . . . . . . . 16186 22
. 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr16186/timedomain_data/nesgPsR293_bmrb16186_pdb2KFP_fids/psr293_Chsqc_arom_ct_8_8_08.fid/' . . . . . . . 16186 22
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 16186
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 16186 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16186 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16186 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 16186
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 16186 1
2 '2D 1H-13C HSQC' . . . 16186 1
5 '3D 1H-15N NOESY' . . . 16186 1
6 '3D 1H-13C NOESY (aliph)' . . . 16186 1
22 '3D 1H-13C NOESY (arom)' . . . 16186 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET HA H 1 4.21 0.02 . 1 . . . . 1 MET HA . 16186 1
2 . 1 1 1 1 MET HB2 H 1 2.12 0.02 . 2 . . . . 1 MET HB2 . 16186 1
3 . 1 1 1 1 MET HB3 H 1 2.00 0.02 . 2 . . . . 1 MET HB3 . 16186 1
4 . 1 1 1 1 MET HE1 H 1 1.88 0.02 . 1 . . . . 1 MET HE . 16186 1
5 . 1 1 1 1 MET HE2 H 1 1.88 0.02 . 1 . . . . 1 MET HE . 16186 1
6 . 1 1 1 1 MET HE3 H 1 1.88 0.02 . 1 . . . . 1 MET HE . 16186 1
7 . 1 1 1 1 MET HG2 H 1 2.79 0.02 . 2 . . . . 1 MET HG2 . 16186 1
8 . 1 1 1 1 MET HG3 H 1 2.54 0.02 . 2 . . . . 1 MET HG3 . 16186 1
9 . 1 1 1 1 MET C C 13 171.2 0.2 . 1 . . . . 1 MET C . 16186 1
10 . 1 1 1 1 MET CA C 13 55.0 0.2 . 1 . . . . 1 MET CA . 16186 1
11 . 1 1 1 1 MET CB C 13 34.6 0.2 . 1 . . . . 1 MET CB . 16186 1
12 . 1 1 1 1 MET CE C 13 16.8 0.2 . 1 . . . . 1 MET CE . 16186 1
13 . 1 1 1 1 MET CG C 13 31.2 0.2 . 1 . . . . 1 MET CG . 16186 1
14 . 1 1 2 2 ASN H H 1 8.50 0.02 . 1 . . . . 2 ASN H . 16186 1
15 . 1 1 2 2 ASN HA H 1 4.99 0.02 . 1 . . . . 2 ASN HA . 16186 1
16 . 1 1 2 2 ASN HB2 H 1 3.33 0.02 . 2 . . . . 2 ASN HB2 . 16186 1
17 . 1 1 2 2 ASN HB3 H 1 2.92 0.02 . 2 . . . . 2 ASN HB3 . 16186 1
18 . 1 1 2 2 ASN HD21 H 1 7.46 0.02 . 1 . . . . 2 ASN HD21 . 16186 1
19 . 1 1 2 2 ASN HD22 H 1 6.94 0.02 . 1 . . . . 2 ASN HD22 . 16186 1
20 . 1 1 2 2 ASN C C 13 175.6 0.2 . 1 . . . . 2 ASN C . 16186 1
21 . 1 1 2 2 ASN CA C 13 51.0 0.2 . 1 . . . . 2 ASN CA . 16186 1
22 . 1 1 2 2 ASN CB C 13 40.0 0.2 . 1 . . . . 2 ASN CB . 16186 1
23 . 1 1 2 2 ASN CG C 13 175.4 0.2 . 1 . . . . 2 ASN CG . 16186 1
24 . 1 1 2 2 ASN N N 15 122.0 0.2 . 1 . . . . 2 ASN N . 16186 1
25 . 1 1 2 2 ASN ND2 N 15 111.1 0.2 . 1 . . . . 2 ASN ND2 . 16186 1
26 . 1 1 3 3 ARG H H 1 8.95 0.02 . 1 . . . . 3 ARG H . 16186 1
27 . 1 1 3 3 ARG HA H 1 3.85 0.02 . 1 . . . . 3 ARG HA . 16186 1
28 . 1 1 3 3 ARG HB2 H 1 1.89 0.02 . 2 . . . . 3 ARG HB2 . 16186 1
29 . 1 1 3 3 ARG HB3 H 1 1.80 0.02 . 2 . . . . 3 ARG HB3 . 16186 1
30 . 1 1 3 3 ARG HD2 H 1 3.26 0.02 . 2 . . . . 3 ARG HD2 . 16186 1
31 . 1 1 3 3 ARG HD3 H 1 3.26 0.02 . 2 . . . . 3 ARG HD3 . 16186 1
32 . 1 1 3 3 ARG HE H 1 7.65 0.02 . 1 . . . . 3 ARG HE . 16186 1
33 . 1 1 3 3 ARG HG2 H 1 1.63 0.02 . 2 . . . . 3 ARG HG2 . 16186 1
34 . 1 1 3 3 ARG HG3 H 1 1.65 0.02 . 2 . . . . 3 ARG HG3 . 16186 1
35 . 1 1 3 3 ARG C C 13 175.6 0.2 . 1 . . . . 3 ARG C . 16186 1
36 . 1 1 3 3 ARG CA C 13 60.4 0.2 . 1 . . . . 3 ARG CA . 16186 1
37 . 1 1 3 3 ARG CB C 13 30.9 0.2 . 1 . . . . 3 ARG CB . 16186 1
38 . 1 1 3 3 ARG CD C 13 43.7 0.2 . 1 . . . . 3 ARG CD . 16186 1
39 . 1 1 3 3 ARG CG C 13 27.0 0.2 . 1 . . . . 3 ARG CG . 16186 1
40 . 1 1 3 3 ARG CZ C 13 159.8 0.2 . 1 . . . . 3 ARG CZ . 16186 1
41 . 1 1 3 3 ARG N N 15 117.6 0.2 . 1 . . . . 3 ARG N . 16186 1
42 . 1 1 3 3 ARG NE N 15 84.7 0.2 . 1 . . . . 3 ARG NE . 16186 1
43 . 1 1 4 4 GLN H H 1 8.37 0.02 . 1 . . . . 4 GLN H . 16186 1
44 . 1 1 4 4 GLN HA H 1 3.90 0.02 . 1 . . . . 4 GLN HA . 16186 1
45 . 1 1 4 4 GLN HB2 H 1 2.10 0.02 . 2 . . . . 4 GLN HB2 . 16186 1
46 . 1 1 4 4 GLN HB3 H 1 2.00 0.02 . 2 . . . . 4 GLN HB3 . 16186 1
47 . 1 1 4 4 GLN HE21 H 1 7.85 0.02 . 1 . . . . 4 GLN HE21 . 16186 1
48 . 1 1 4 4 GLN HE22 H 1 6.92 0.02 . 1 . . . . 4 GLN HE22 . 16186 1
49 . 1 1 4 4 GLN HG2 H 1 2.43 0.02 . 2 . . . . 4 GLN HG2 . 16186 1
50 . 1 1 4 4 GLN HG3 H 1 2.43 0.02 . 2 . . . . 4 GLN HG3 . 16186 1
51 . 1 1 4 4 GLN C C 13 178.3 0.2 . 1 . . . . 4 GLN C . 16186 1
52 . 1 1 4 4 GLN CA C 13 58.9 0.2 . 1 . . . . 4 GLN CA . 16186 1
53 . 1 1 4 4 GLN CB C 13 28.2 0.2 . 1 . . . . 4 GLN CB . 16186 1
54 . 1 1 4 4 GLN CD C 13 180.4 0.2 . 1 . . . . 4 GLN CD . 16186 1
55 . 1 1 4 4 GLN CG C 13 33.7 0.2 . 1 . . . . 4 GLN CG . 16186 1
56 . 1 1 4 4 GLN N N 15 120.7 0.2 . 1 . . . . 4 GLN N . 16186 1
57 . 1 1 4 4 GLN NE2 N 15 115.3 0.2 . 1 . . . . 4 GLN NE2 . 16186 1
58 . 1 1 5 5 GLN H H 1 8.67 0.02 . 1 . . . . 5 GLN H . 16186 1
59 . 1 1 5 5 GLN HA H 1 4.19 0.02 . 1 . . . . 5 GLN HA . 16186 1
60 . 1 1 5 5 GLN HB2 H 1 2.31 0.02 . 2 . . . . 5 GLN HB2 . 16186 1
61 . 1 1 5 5 GLN HB3 H 1 1.96 0.02 . 2 . . . . 5 GLN HB3 . 16186 1
62 . 1 1 5 5 GLN HE21 H 1 7.56 0.02 . 1 . . . . 5 GLN HE21 . 16186 1
63 . 1 1 5 5 GLN HE22 H 1 6.82 0.02 . 1 . . . . 5 GLN HE22 . 16186 1
64 . 1 1 5 5 GLN HG2 H 1 2.76 0.02 . 2 . . . . 5 GLN HG2 . 16186 1
65 . 1 1 5 5 GLN HG3 H 1 2.50 0.02 . 2 . . . . 5 GLN HG3 . 16186 1
66 . 1 1 5 5 GLN C C 13 180.0 0.2 . 1 . . . . 5 GLN C . 16186 1
67 . 1 1 5 5 GLN CA C 13 58.5 0.2 . 1 . . . . 5 GLN CA . 16186 1
68 . 1 1 5 5 GLN CB C 13 28.9 0.2 . 1 . . . . 5 GLN CB . 16186 1
69 . 1 1 5 5 GLN CD C 13 180.5 0.2 . 1 . . . . 5 GLN CD . 16186 1
70 . 1 1 5 5 GLN CG C 13 34.3 0.2 . 1 . . . . 5 GLN CG . 16186 1
71 . 1 1 5 5 GLN N N 15 117.7 0.2 . 1 . . . . 5 GLN N . 16186 1
72 . 1 1 5 5 GLN NE2 N 15 111.5 0.2 . 1 . . . . 5 GLN NE2 . 16186 1
73 . 1 1 6 6 PHE H H 1 8.27 0.02 . 1 . . . . 6 PHE H . 16186 1
74 . 1 1 6 6 PHE HA H 1 4.13 0.02 . 1 . . . . 6 PHE HA . 16186 1
75 . 1 1 6 6 PHE HB2 H 1 3.19 0.02 . 2 . . . . 6 PHE HB2 . 16186 1
76 . 1 1 6 6 PHE HB3 H 1 3.08 0.02 . 2 . . . . 6 PHE HB3 . 16186 1
77 . 1 1 6 6 PHE HD1 H 1 6.93 0.02 . 3 . . . . 6 PHE HD1 . 16186 1
78 . 1 1 6 6 PHE HD2 H 1 6.93 0.02 . 3 . . . . 6 PHE HD2 . 16186 1
79 . 1 1 6 6 PHE HE1 H 1 6.43 0.02 . 3 . . . . 6 PHE HE1 . 16186 1
80 . 1 1 6 6 PHE HE2 H 1 6.43 0.02 . 3 . . . . 6 PHE HE2 . 16186 1
81 . 1 1 6 6 PHE HZ H 1 6.33 0.02 . 1 . . . . 6 PHE HZ . 16186 1
82 . 1 1 6 6 PHE C C 13 175.5 0.2 . 1 . . . . 6 PHE C . 16186 1
83 . 1 1 6 6 PHE CA C 13 62.7 0.2 . 1 . . . . 6 PHE CA . 16186 1
84 . 1 1 6 6 PHE CB C 13 39.0 0.2 . 1 . . . . 6 PHE CB . 16186 1
85 . 1 1 6 6 PHE CD1 C 13 131.3 0.02 . 3 . . . . 6 PHE CD1 . 16186 1
86 . 1 1 6 6 PHE CD2 C 13 131.3 0.02 . 3 . . . . 6 PHE CD2 . 16186 1
87 . 1 1 6 6 PHE CE1 C 13 130.9 0.02 . 3 . . . . 6 PHE CE1 . 16186 1
88 . 1 1 6 6 PHE CE2 C 13 130.9 0.02 . 3 . . . . 6 PHE CE2 . 16186 1
89 . 1 1 6 6 PHE CZ C 13 127.7 0.2 . 1 . . . . 6 PHE CZ . 16186 1
90 . 1 1 6 6 PHE N N 15 121.2 0.2 . 1 . . . . 6 PHE N . 16186 1
91 . 1 1 7 7 ILE H H 1 8.39 0.02 . 1 . . . . 7 ILE H . 16186 1
92 . 1 1 7 7 ILE HA H 1 3.28 0.02 . 1 . . . . 7 ILE HA . 16186 1
93 . 1 1 7 7 ILE HB H 1 1.99 0.02 . 1 . . . . 7 ILE HB . 16186 1
94 . 1 1 7 7 ILE HD11 H 1 0.94 0.02 . 1 . . . . 7 ILE HD1 . 16186 1
95 . 1 1 7 7 ILE HD12 H 1 0.94 0.02 . 1 . . . . 7 ILE HD1 . 16186 1
96 . 1 1 7 7 ILE HD13 H 1 0.94 0.02 . 1 . . . . 7 ILE HD1 . 16186 1
97 . 1 1 7 7 ILE HG12 H 1 1.06 0.02 . 2 . . . . 7 ILE HG12 . 16186 1
98 . 1 1 7 7 ILE HG13 H 1 2.13 0.02 . 2 . . . . 7 ILE HG13 . 16186 1
99 . 1 1 7 7 ILE HG21 H 1 1.05 0.02 . 1 . . . . 7 ILE HG2 . 16186 1
100 . 1 1 7 7 ILE HG22 H 1 1.05 0.02 . 1 . . . . 7 ILE HG2 . 16186 1
101 . 1 1 7 7 ILE HG23 H 1 1.05 0.02 . 1 . . . . 7 ILE HG2 . 16186 1
102 . 1 1 7 7 ILE C C 13 178.9 0.2 . 1 . . . . 7 ILE C . 16186 1
103 . 1 1 7 7 ILE CA C 13 66.4 0.2 . 1 . . . . 7 ILE CA . 16186 1
104 . 1 1 7 7 ILE CB C 13 38.5 0.2 . 1 . . . . 7 ILE CB . 16186 1
105 . 1 1 7 7 ILE CD1 C 13 13.9 0.2 . 1 . . . . 7 ILE CD1 . 16186 1
106 . 1 1 7 7 ILE CG1 C 13 31.3 0.2 . 1 . . . . 7 ILE CG1 . 16186 1
107 . 1 1 7 7 ILE CG2 C 13 17.2 0.2 . 1 . . . . 7 ILE CG2 . 16186 1
108 . 1 1 7 7 ILE N N 15 121.0 0.2 . 1 . . . . 7 ILE N . 16186 1
109 . 1 1 8 8 ASP H H 1 8.71 0.02 . 1 . . . . 8 ASP H . 16186 1
110 . 1 1 8 8 ASP HA H 1 4.37 0.02 . 1 . . . . 8 ASP HA . 16186 1
111 . 1 1 8 8 ASP HB2 H 1 2.74 0.02 . 2 . . . . 8 ASP HB2 . 16186 1
112 . 1 1 8 8 ASP HB3 H 1 2.64 0.02 . 2 . . . . 8 ASP HB3 . 16186 1
113 . 1 1 8 8 ASP C C 13 178.0 0.2 . 1 . . . . 8 ASP C . 16186 1
114 . 1 1 8 8 ASP CA C 13 57.3 0.2 . 1 . . . . 8 ASP CA . 16186 1
115 . 1 1 8 8 ASP CB C 13 40.6 0.2 . 1 . . . . 8 ASP CB . 16186 1
116 . 1 1 8 8 ASP N N 15 119.8 0.2 . 1 . . . . 8 ASP N . 16186 1
117 . 1 1 9 9 TYR H H 1 8.06 0.02 . 1 . . . . 9 TYR H . 16186 1
118 . 1 1 9 9 TYR HA H 1 4.00 0.02 . 1 . . . . 9 TYR HA . 16186 1
119 . 1 1 9 9 TYR HB2 H 1 3.18 0.02 . 2 . . . . 9 TYR HB2 . 16186 1
120 . 1 1 9 9 TYR HB3 H 1 2.86 0.02 . 2 . . . . 9 TYR HB3 . 16186 1
121 . 1 1 9 9 TYR HD1 H 1 6.71 0.02 . 3 . . . . 9 TYR HD1 . 16186 1
122 . 1 1 9 9 TYR HD2 H 1 6.71 0.02 . 3 . . . . 9 TYR HD2 . 16186 1
123 . 1 1 9 9 TYR HE1 H 1 6.39 0.02 . 3 . . . . 9 TYR HE1 . 16186 1
124 . 1 1 9 9 TYR HE2 H 1 6.39 0.02 . 3 . . . . 9 TYR HE2 . 16186 1
125 . 1 1 9 9 TYR C C 13 176.5 0.2 . 1 . . . . 9 TYR C . 16186 1
126 . 1 1 9 9 TYR CA C 13 61.7 0.2 . 1 . . . . 9 TYR CA . 16186 1
127 . 1 1 9 9 TYR CB C 13 38.6 0.2 . 1 . . . . 9 TYR CB . 16186 1
128 . 1 1 9 9 TYR CD1 C 13 132.2 0.02 . 3 . . . . 9 TYR CD1 . 16186 1
129 . 1 1 9 9 TYR CD2 C 13 132.2 0.02 . 3 . . . . 9 TYR CD2 . 16186 1
130 . 1 1 9 9 TYR CE1 C 13 116.7 0.02 . 3 . . . . 9 TYR CE1 . 16186 1
131 . 1 1 9 9 TYR CE2 C 13 116.7 0.02 . 3 . . . . 9 TYR CE2 . 16186 1
132 . 1 1 9 9 TYR N N 15 121.6 0.2 . 1 . . . . 9 TYR N . 16186 1
133 . 1 1 10 10 ALA H H 1 8.34 0.02 . 1 . . . . 10 ALA H . 16186 1
134 . 1 1 10 10 ALA HA H 1 3.73 0.02 . 1 . . . . 10 ALA HA . 16186 1
135 . 1 1 10 10 ALA HB1 H 1 1.02 0.02 . 1 . . . . 10 ALA HB . 16186 1
136 . 1 1 10 10 ALA HB2 H 1 1.02 0.02 . 1 . . . . 10 ALA HB . 16186 1
137 . 1 1 10 10 ALA HB3 H 1 1.02 0.02 . 1 . . . . 10 ALA HB . 16186 1
138 . 1 1 10 10 ALA C C 13 180.2 0.2 . 1 . . . . 10 ALA C . 16186 1
139 . 1 1 10 10 ALA CA C 13 55.2 0.2 . 1 . . . . 10 ALA CA . 16186 1
140 . 1 1 10 10 ALA CB C 13 17.3 0.2 . 1 . . . . 10 ALA CB . 16186 1
141 . 1 1 10 10 ALA N N 15 120.7 0.2 . 1 . . . . 10 ALA N . 16186 1
142 . 1 1 11 11 GLN H H 1 7.83 0.02 . 1 . . . . 11 GLN H . 16186 1
143 . 1 1 11 11 GLN HA H 1 4.13 0.02 . 1 . . . . 11 GLN HA . 16186 1
144 . 1 1 11 11 GLN HB2 H 1 2.31 0.02 . 2 . . . . 11 GLN HB2 . 16186 1
145 . 1 1 11 11 GLN HB3 H 1 2.18 0.02 . 2 . . . . 11 GLN HB3 . 16186 1
146 . 1 1 11 11 GLN HE21 H 1 7.27 0.02 . 1 . . . . 11 GLN HE21 . 16186 1
147 . 1 1 11 11 GLN HE22 H 1 6.75 0.02 . 1 . . . . 11 GLN HE22 . 16186 1
148 . 1 1 11 11 GLN HG2 H 1 2.35 0.02 . 2 . . . . 11 GLN HG2 . 16186 1
149 . 1 1 11 11 GLN HG3 H 1 2.35 0.02 . 2 . . . . 11 GLN HG3 . 16186 1
150 . 1 1 11 11 GLN C C 13 178.3 0.2 . 1 . . . . 11 GLN C . 16186 1
151 . 1 1 11 11 GLN CA C 13 59.2 0.2 . 1 . . . . 11 GLN CA . 16186 1
152 . 1 1 11 11 GLN CB C 13 28.6 0.2 . 1 . . . . 11 GLN CB . 16186 1
153 . 1 1 11 11 GLN CD C 13 179.7 0.2 . 1 . . . . 11 GLN CD . 16186 1
154 . 1 1 11 11 GLN CG C 13 34.3 0.2 . 1 . . . . 11 GLN CG . 16186 1
155 . 1 1 11 11 GLN N N 15 116.6 0.2 . 1 . . . . 11 GLN N . 16186 1
156 . 1 1 11 11 GLN NE2 N 15 111.7 0.2 . 1 . . . . 11 GLN NE2 . 16186 1
157 . 1 1 12 12 LYS H H 1 8.04 0.02 . 1 . . . . 12 LYS H . 16186 1
158 . 1 1 12 12 LYS HA H 1 3.89 0.02 . 1 . . . . 12 LYS HA . 16186 1
159 . 1 1 12 12 LYS HB2 H 1 1.72 0.02 . 2 . . . . 12 LYS HB2 . 16186 1
160 . 1 1 12 12 LYS HB3 H 1 1.62 0.02 . 2 . . . . 12 LYS HB3 . 16186 1
161 . 1 1 12 12 LYS HD2 H 1 1.62 0.02 . 2 . . . . 12 LYS HD2 . 16186 1
162 . 1 1 12 12 LYS HD3 H 1 1.63 0.02 . 2 . . . . 12 LYS HD3 . 16186 1
163 . 1 1 12 12 LYS HE2 H 1 2.92 0.02 . 2 . . . . 12 LYS HE2 . 16186 1
164 . 1 1 12 12 LYS HE3 H 1 2.92 0.02 . 2 . . . . 12 LYS HE3 . 16186 1
165 . 1 1 12 12 LYS HG2 H 1 1.36 0.02 . 2 . . . . 12 LYS HG2 . 16186 1
166 . 1 1 12 12 LYS HG3 H 1 1.36 0.02 . 2 . . . . 12 LYS HG3 . 16186 1
167 . 1 1 12 12 LYS C C 13 178.2 0.2 . 1 . . . . 12 LYS C . 16186 1
168 . 1 1 12 12 LYS CA C 13 58.8 0.2 . 1 . . . . 12 LYS CA . 16186 1
169 . 1 1 12 12 LYS CB C 13 32.7 0.2 . 1 . . . . 12 LYS CB . 16186 1
170 . 1 1 12 12 LYS CD C 13 29.1 0.2 . 1 . . . . 12 LYS CD . 16186 1
171 . 1 1 12 12 LYS CE C 13 42.3 0.2 . 1 . . . . 12 LYS CE . 16186 1
172 . 1 1 12 12 LYS CG C 13 25.1 0.2 . 1 . . . . 12 LYS CG . 16186 1
173 . 1 1 12 12 LYS N N 15 119.3 0.2 . 1 . . . . 12 LYS N . 16186 1
174 . 1 1 13 13 LYS H H 1 8.44 0.02 . 1 . . . . 13 LYS H . 16186 1
175 . 1 1 13 13 LYS HA H 1 3.61 0.02 . 1 . . . . 13 LYS HA . 16186 1
176 . 1 1 13 13 LYS HB2 H 1 0.43 0.02 . 2 . . . . 13 LYS HB2 . 16186 1
177 . 1 1 13 13 LYS HB3 H 1 0.32 0.02 . 2 . . . . 13 LYS HB3 . 16186 1
178 . 1 1 13 13 LYS HD2 H 1 1.07 0.02 . 2 . . . . 13 LYS HD2 . 16186 1
179 . 1 1 13 13 LYS HD3 H 1 0.90 0.02 . 2 . . . . 13 LYS HD3 . 16186 1
180 . 1 1 13 13 LYS HE2 H 1 2.47 0.02 . 2 . . . . 13 LYS HE2 . 16186 1
181 . 1 1 13 13 LYS HE3 H 1 2.58 0.02 . 2 . . . . 13 LYS HE3 . 16186 1
182 . 1 1 13 13 LYS HG2 H 1 0.09 0.02 . 2 . . . . 13 LYS HG2 . 16186 1
183 . 1 1 13 13 LYS HG3 H 1 -0.31 0.02 . 2 . . . . 13 LYS HG3 . 16186 1
184 . 1 1 13 13 LYS C C 13 177.6 0.2 . 1 . . . . 13 LYS C . 16186 1
185 . 1 1 13 13 LYS CA C 13 56.9 0.2 . 1 . . . . 13 LYS CA . 16186 1
186 . 1 1 13 13 LYS CB C 13 32.00 0.2 . 1 . . . . 13 LYS CB . 16186 1
187 . 1 1 13 13 LYS CD C 13 27.9 0.2 . 1 . . . . 13 LYS CD . 16186 1
188 . 1 1 13 13 LYS CE C 13 42.1 0.2 . 1 . . . . 13 LYS CE . 16186 1
189 . 1 1 13 13 LYS CG C 13 23.6 0.2 . 1 . . . . 13 LYS CG . 16186 1
190 . 1 1 13 13 LYS N N 15 117.7 0.2 . 1 . . . . 13 LYS N . 16186 1
191 . 1 1 14 14 TYR H H 1 6.78 0.02 . 1 . . . . 14 TYR H . 16186 1
192 . 1 1 14 14 TYR HA H 1 4.53 0.02 . 1 . . . . 14 TYR HA . 16186 1
193 . 1 1 14 14 TYR HB2 H 1 3.07 0.02 . 2 . . . . 14 TYR HB2 . 16186 1
194 . 1 1 14 14 TYR HB3 H 1 2.82 0.02 . 2 . . . . 14 TYR HB3 . 16186 1
195 . 1 1 14 14 TYR HD1 H 1 6.19 0.02 . 3 . . . . 14 TYR HD1 . 16186 1
196 . 1 1 14 14 TYR HD2 H 1 6.19 0.02 . 3 . . . . 14 TYR HD2 . 16186 1
197 . 1 1 14 14 TYR HE1 H 1 6.03 0.02 . 3 . . . . 14 TYR HE1 . 16186 1
198 . 1 1 14 14 TYR HE2 H 1 6.03 0.02 . 3 . . . . 14 TYR HE2 . 16186 1
199 . 1 1 14 14 TYR C C 13 175.8 0.2 . 1 . . . . 14 TYR C . 16186 1
200 . 1 1 14 14 TYR CA C 13 56.6 0.2 . 1 . . . . 14 TYR CA . 16186 1
201 . 1 1 14 14 TYR CB C 13 39.5 0.2 . 1 . . . . 14 TYR CB . 16186 1
202 . 1 1 14 14 TYR CD1 C 13 132.4 0.02 . 3 . . . . 14 TYR CD1 . 16186 1
203 . 1 1 14 14 TYR CD2 C 13 132.4 0.02 . 3 . . . . 14 TYR CD2 . 16186 1
204 . 1 1 14 14 TYR CE1 C 13 116.0 0.02 . 3 . . . . 14 TYR CE1 . 16186 1
205 . 1 1 14 14 TYR CE2 C 13 116.0 0.02 . 3 . . . . 14 TYR CE2 . 16186 1
206 . 1 1 14 14 TYR N N 15 113.1 0.2 . 1 . . . . 14 TYR N . 16186 1
207 . 1 1 15 15 ASP H H 1 7.62 0.02 . 1 . . . . 15 ASP H . 16186 1
208 . 1 1 15 15 ASP HA H 1 4.81 0.02 . 1 . . . . 15 ASP HA . 16186 1
209 . 1 1 15 15 ASP HB2 H 1 3.20 0.02 . 2 . . . . 15 ASP HB2 . 16186 1
210 . 1 1 15 15 ASP HB3 H 1 2.56 0.02 . 2 . . . . 15 ASP HB3 . 16186 1
211 . 1 1 15 15 ASP C C 13 175.2 0.2 . 1 . . . . 15 ASP C . 16186 1
212 . 1 1 15 15 ASP CA C 13 55.1 0.2 . 1 . . . . 15 ASP CA . 16186 1
213 . 1 1 15 15 ASP CB C 13 39.3 0.2 . 1 . . . . 15 ASP CB . 16186 1
214 . 1 1 15 15 ASP N N 15 119.6 0.2 . 1 . . . . 15 ASP N . 16186 1
215 . 1 1 16 16 THR H H 1 7.56 0.02 . 1 . . . . 16 THR H . 16186 1
216 . 1 1 16 16 THR HA H 1 4.65 0.02 . 1 . . . . 16 THR HA . 16186 1
217 . 1 1 16 16 THR HB H 1 3.91 0.02 . 1 . . . . 16 THR HB . 16186 1
218 . 1 1 16 16 THR HG1 H 1 6.25 0.02 . 1 . . . . 16 THR HG1 . 16186 1
219 . 1 1 16 16 THR HG21 H 1 1.48 0.02 . 1 . . . . 16 THR HG2 . 16186 1
220 . 1 1 16 16 THR HG22 H 1 1.48 0.02 . 1 . . . . 16 THR HG2 . 16186 1
221 . 1 1 16 16 THR HG23 H 1 1.48 0.02 . 1 . . . . 16 THR HG2 . 16186 1
222 . 1 1 16 16 THR C C 13 173.2 0.2 . 1 . . . . 16 THR C . 16186 1
223 . 1 1 16 16 THR CA C 13 61.5 0.2 . 1 . . . . 16 THR CA . 16186 1
224 . 1 1 16 16 THR CB C 13 71.0 0.2 . 1 . . . . 16 THR CB . 16186 1
225 . 1 1 16 16 THR CG2 C 13 23.8 0.2 . 1 . . . . 16 THR CG2 . 16186 1
226 . 1 1 16 16 THR N N 15 113.1 0.2 . 1 . . . . 16 THR N . 16186 1
227 . 1 1 17 17 LYS H H 1 8.83 0.02 . 1 . . . . 17 LYS H . 16186 1
228 . 1 1 17 17 LYS HA H 1 4.69 0.02 . 1 . . . . 17 LYS HA . 16186 1
229 . 1 1 17 17 LYS HB2 H 1 1.66 0.02 . 2 . . . . 17 LYS HB2 . 16186 1
230 . 1 1 17 17 LYS HB3 H 1 1.77 0.02 . 2 . . . . 17 LYS HB3 . 16186 1
231 . 1 1 17 17 LYS HD2 H 1 1.47 0.02 . 2 . . . . 17 LYS HD2 . 16186 1
232 . 1 1 17 17 LYS HD3 H 1 1.47 0.02 . 2 . . . . 17 LYS HD3 . 16186 1
233 . 1 1 17 17 LYS HE2 H 1 2.85 0.02 . 2 . . . . 17 LYS HE2 . 16186 1
234 . 1 1 17 17 LYS HE3 H 1 2.85 0.02 . 2 . . . . 17 LYS HE3 . 16186 1
235 . 1 1 17 17 LYS C C 13 173.2 0.2 . 1 . . . . 17 LYS C . 16186 1
236 . 1 1 17 17 LYS CA C 13 53.6 0.2 . 1 . . . . 17 LYS CA . 16186 1
237 . 1 1 17 17 LYS CB C 13 32.8 0.2 . 1 . . . . 17 LYS CB . 16186 1
238 . 1 1 17 17 LYS CD C 13 28.8 0.2 . 1 . . . . 17 LYS CD . 16186 1
239 . 1 1 17 17 LYS CE C 13 42.1 0.2 . 1 . . . . 17 LYS CE . 16186 1
240 . 1 1 17 17 LYS CG C 13 24.6 0.2 . 1 . . . . 17 LYS CG . 16186 1
241 . 1 1 17 17 LYS N N 15 127.2 0.2 . 1 . . . . 17 LYS N . 16186 1
242 . 1 1 18 18 PRO HA H 1 3.54 0.02 . 1 . . . . 18 PRO HA . 16186 1
243 . 1 1 18 18 PRO HB2 H 1 1.08 0.02 . 2 . . . . 18 PRO HB2 . 16186 1
244 . 1 1 18 18 PRO HB3 H 1 1.08 0.02 . 2 . . . . 18 PRO HB3 . 16186 1
245 . 1 1 18 18 PRO HD2 H 1 3.69 0.02 . 2 . . . . 18 PRO HD2 . 16186 1
246 . 1 1 18 18 PRO HD3 H 1 3.62 0.02 . 2 . . . . 18 PRO HD3 . 16186 1
247 . 1 1 18 18 PRO HG2 H 1 1.99 0.02 . 2 . . . . 18 PRO HG2 . 16186 1
248 . 1 1 18 18 PRO HG3 H 1 1.99 0.02 . 2 . . . . 18 PRO HG3 . 16186 1
249 . 1 1 18 18 PRO C C 13 175.8 0.2 . 1 . . . . 18 PRO C . 16186 1
250 . 1 1 18 18 PRO CA C 13 62.0 0.2 . 1 . . . . 18 PRO CA . 16186 1
251 . 1 1 18 18 PRO CB C 13 32.2 0.2 . 1 . . . . 18 PRO CB . 16186 1
252 . 1 1 18 18 PRO CD C 13 50.0 0.2 . 1 . . . . 18 PRO CD . 16186 1
253 . 1 1 18 18 PRO CG C 13 27.1 0.2 . 1 . . . . 18 PRO CG . 16186 1
254 . 1 1 19 19 ASP H H 1 8.31 0.02 . 1 . . . . 19 ASP H . 16186 1
255 . 1 1 19 19 ASP HA H 1 4.74 0.02 . 1 . . . . 19 ASP HA . 16186 1
256 . 1 1 19 19 ASP HB2 H 1 2.24 0.02 . 2 . . . . 19 ASP HB2 . 16186 1
257 . 1 1 19 19 ASP HB3 H 1 2.24 0.02 . 2 . . . . 19 ASP HB3 . 16186 1
258 . 1 1 19 19 ASP C C 13 175.1 0.2 . 1 . . . . 19 ASP C . 16186 1
259 . 1 1 19 19 ASP CA C 13 52.3 0.2 . 1 . . . . 19 ASP CA . 16186 1
260 . 1 1 19 19 ASP CB C 13 43.7 0.2 . 1 . . . . 19 ASP CB . 16186 1
261 . 1 1 19 19 ASP N N 15 120.3 0.2 . 1 . . . . 19 ASP N . 16186 1
262 . 1 1 20 20 HIS H H 1 8.62 0.02 . 1 . . . . 20 HIS H . 16186 1
263 . 1 1 20 20 HIS HA H 1 5.17 0.02 . 1 . . . . 20 HIS HA . 16186 1
264 . 1 1 20 20 HIS HB2 H 1 3.09 0.02 . 2 . . . . 20 HIS HB2 . 16186 1
265 . 1 1 20 20 HIS HB3 H 1 3.38 0.02 . 2 . . . . 20 HIS HB3 . 16186 1
266 . 1 1 20 20 HIS CA C 13 53.2 0.2 . 1 . . . . 20 HIS CA . 16186 1
267 . 1 1 20 20 HIS CB C 13 28.8 0.2 . 1 . . . . 20 HIS CB . 16186 1
268 . 1 1 20 20 HIS N N 15 118.8 0.2 . 1 . . . . 20 HIS N . 16186 1
269 . 1 1 21 21 PRO HA H 1 4.19 0.02 . 1 . . . . 21 PRO HA . 16186 1
270 . 1 1 21 21 PRO HB2 H 1 1.78 0.02 . 2 . . . . 21 PRO HB2 . 16186 1
271 . 1 1 21 21 PRO HB3 H 1 0.73 0.02 . 2 . . . . 21 PRO HB3 . 16186 1
272 . 1 1 21 21 PRO HD2 H 1 3.07 0.02 . 2 . . . . 21 PRO HD2 . 16186 1
273 . 1 1 21 21 PRO HD3 H 1 2.93 0.02 . 2 . . . . 21 PRO HD3 . 16186 1
274 . 1 1 21 21 PRO HG2 H 1 0.30 0.02 . 2 . . . . 21 PRO HG2 . 16186 1
275 . 1 1 21 21 PRO HG3 H 1 0.93 0.02 . 2 . . . . 21 PRO HG3 . 16186 1
276 . 1 1 21 21 PRO C C 13 176.6 0.2 . 1 . . . . 21 PRO C . 16186 1
277 . 1 1 21 21 PRO CA C 13 63.9 0.2 . 1 . . . . 21 PRO CA . 16186 1
278 . 1 1 21 21 PRO CB C 13 32.1 0.2 . 1 . . . . 21 PRO CB . 16186 1
279 . 1 1 21 21 PRO CD C 13 49.5 0.2 . 1 . . . . 21 PRO CD . 16186 1
280 . 1 1 21 21 PRO CG C 13 25.5 0.2 . 1 . . . . 21 PRO CG . 16186 1
281 . 1 1 22 22 TRP H H 1 8.34 0.02 . 1 . . . . 22 TRP H . 16186 1
282 . 1 1 22 22 TRP HA H 1 5.00 0.02 . 1 . . . . 22 TRP HA . 16186 1
283 . 1 1 22 22 TRP HB2 H 1 3.28 0.02 . 2 . . . . 22 TRP HB2 . 16186 1
284 . 1 1 22 22 TRP HB3 H 1 3.39 0.02 . 2 . . . . 22 TRP HB3 . 16186 1
285 . 1 1 22 22 TRP HD1 H 1 7.39 0.02 . 1 . . . . 22 TRP HD1 . 16186 1
286 . 1 1 22 22 TRP HE1 H 1 10.31 0.02 . 1 . . . . 22 TRP HE1 . 16186 1
287 . 1 1 22 22 TRP HE3 H 1 7.85 0.02 . 1 . . . . 22 TRP HE3 . 16186 1
288 . 1 1 22 22 TRP HH2 H 1 6.90 0.02 . 1 . . . . 22 TRP HH2 . 16186 1
289 . 1 1 22 22 TRP HZ2 H 1 7.62 0.02 . 1 . . . . 22 TRP HZ2 . 16186 1
290 . 1 1 22 22 TRP HZ3 H 1 6.66 0.02 . 1 . . . . 22 TRP HZ3 . 16186 1
291 . 1 1 22 22 TRP C C 13 174.2 0.2 . 1 . . . . 22 TRP C . 16186 1
292 . 1 1 22 22 TRP CA C 13 57.1 0.2 . 1 . . . . 22 TRP CA . 16186 1
293 . 1 1 22 22 TRP CB C 13 29.4 0.2 . 1 . . . . 22 TRP CB . 16186 1
294 . 1 1 22 22 TRP CD1 C 13 126.3 0.2 . 1 . . . . 22 TRP CD1 . 16186 1
295 . 1 1 22 22 TRP CE3 C 13 120.9 0.2 . 1 . . . . 22 TRP CE3 . 16186 1
296 . 1 1 22 22 TRP CH2 C 13 124.7 0.2 . 1 . . . . 22 TRP CH2 . 16186 1
297 . 1 1 22 22 TRP CZ2 C 13 114.5 0.2 . 1 . . . . 22 TRP CZ2 . 16186 1
298 . 1 1 22 22 TRP CZ3 C 13 120.9 0.2 . 1 . . . . 22 TRP CZ3 . 16186 1
299 . 1 1 22 22 TRP N N 15 118.7 0.2 . 1 . . . . 22 TRP N . 16186 1
300 . 1 1 22 22 TRP NE1 N 15 130.2 0.2 . 1 . . . . 22 TRP NE1 . 16186 1
301 . 1 1 23 23 GLU H H 1 9.03 0.02 . 1 . . . . 23 GLU H . 16186 1
302 . 1 1 23 23 GLU HA H 1 4.00 0.02 . 1 . . . . 23 GLU HA . 16186 1
303 . 1 1 23 23 GLU HB2 H 1 2.00 0.02 . 2 . . . . 23 GLU HB2 . 16186 1
304 . 1 1 23 23 GLU HB3 H 1 2.06 0.02 . 2 . . . . 23 GLU HB3 . 16186 1
305 . 1 1 23 23 GLU HG2 H 1 2.33 0.02 . 2 . . . . 23 GLU HG2 . 16186 1
306 . 1 1 23 23 GLU HG3 H 1 2.27 0.02 . 2 . . . . 23 GLU HG3 . 16186 1
307 . 1 1 23 23 GLU C C 13 177.9 0.2 . 1 . . . . 23 GLU C . 16186 1
308 . 1 1 23 23 GLU CA C 13 59.1 0.2 . 1 . . . . 23 GLU CA . 16186 1
309 . 1 1 23 23 GLU CB C 13 29.2 0.2 . 1 . . . . 23 GLU CB . 16186 1
310 . 1 1 23 23 GLU CG C 13 35.4 0.2 . 1 . . . . 23 GLU CG . 16186 1
311 . 1 1 23 23 GLU N N 15 128.4 0.2 . 1 . . . . 23 GLU N . 16186 1
312 . 1 1 24 24 LYS H H 1 8.50 0.02 . 1 . . . . 24 LYS H . 16186 1
313 . 1 1 24 24 LYS HA H 1 3.89 0.02 . 1 . . . . 24 LYS HA . 16186 1
314 . 1 1 24 24 LYS HB2 H 1 1.43 0.02 . 2 . . . . 24 LYS HB2 . 16186 1
315 . 1 1 24 24 LYS HB3 H 1 1.24 0.02 . 2 . . . . 24 LYS HB3 . 16186 1
316 . 1 1 24 24 LYS HD2 H 1 1.47 0.02 . 2 . . . . 24 LYS HD2 . 16186 1
317 . 1 1 24 24 LYS HD3 H 1 1.47 0.02 . 2 . . . . 24 LYS HD3 . 16186 1
318 . 1 1 24 24 LYS HE2 H 1 2.84 0.02 . 2 . . . . 24 LYS HE2 . 16186 1
319 . 1 1 24 24 LYS HE3 H 1 2.84 0.02 . 2 . . . . 24 LYS HE3 . 16186 1
320 . 1 1 24 24 LYS HG2 H 1 1.17 0.02 . 2 . . . . 24 LYS HG2 . 16186 1
321 . 1 1 24 24 LYS HG3 H 1 1.00 0.02 . 2 . . . . 24 LYS HG3 . 16186 1
322 . 1 1 24 24 LYS C C 13 175.3 0.2 . 1 . . . . 24 LYS C . 16186 1
323 . 1 1 24 24 LYS CA C 13 57.1 0.2 . 1 . . . . 24 LYS CA . 16186 1
324 . 1 1 24 24 LYS CB C 13 32.3 0.2 . 1 . . . . 24 LYS CB . 16186 1
325 . 1 1 24 24 LYS CD C 13 25.3 0.2 . 1 . . . . 24 LYS CD . 16186 1
326 . 1 1 24 24 LYS CE C 13 42.2 0.2 . 1 . . . . 24 LYS CE . 16186 1
327 . 1 1 24 24 LYS CG C 13 25.1 0.2 . 1 . . . . 24 LYS CG . 16186 1
328 . 1 1 24 24 LYS N N 15 115.1 0.2 . 1 . . . . 24 LYS N . 16186 1
329 . 1 1 25 25 PHE H H 1 7.01 0.02 . 1 . . . . 25 PHE H . 16186 1
330 . 1 1 25 25 PHE HA H 1 4.74 0.02 . 1 . . . . 25 PHE HA . 16186 1
331 . 1 1 25 25 PHE HB2 H 1 2.21 0.02 . 2 . . . . 25 PHE HB2 . 16186 1
332 . 1 1 25 25 PHE HB3 H 1 1.79 0.02 . 2 . . . . 25 PHE HB3 . 16186 1
333 . 1 1 25 25 PHE HD1 H 1 6.61 0.02 . 3 . . . . 25 PHE HD1 . 16186 1
334 . 1 1 25 25 PHE HD2 H 1 6.61 0.02 . 3 . . . . 25 PHE HD2 . 16186 1
335 . 1 1 25 25 PHE HE1 H 1 7.06 0.02 . 3 . . . . 25 PHE HE1 . 16186 1
336 . 1 1 25 25 PHE HE2 H 1 7.06 0.02 . 3 . . . . 25 PHE HE2 . 16186 1
337 . 1 1 25 25 PHE HZ H 1 7.07 0.02 . 1 . . . . 25 PHE HZ . 16186 1
338 . 1 1 25 25 PHE C C 13 175.3 0.2 . 1 . . . . 25 PHE C . 16186 1
339 . 1 1 25 25 PHE CA C 13 54.3 0.2 . 1 . . . . 25 PHE CA . 16186 1
340 . 1 1 25 25 PHE CB C 13 39.2 0.2 . 1 . . . . 25 PHE CB . 16186 1
341 . 1 1 25 25 PHE CD1 C 13 132.1 0.02 . 3 . . . . 25 PHE CD1 . 16186 1
342 . 1 1 25 25 PHE CD2 C 13 132.1 0.02 . 3 . . . . 25 PHE CD2 . 16186 1
343 . 1 1 25 25 PHE CE1 C 13 130.4 0.02 . 3 . . . . 25 PHE CE1 . 16186 1
344 . 1 1 25 25 PHE CE2 C 13 130.4 0.02 . 3 . . . . 25 PHE CE2 . 16186 1
345 . 1 1 25 25 PHE CZ C 13 128.7 0.2 . 1 . . . . 25 PHE CZ . 16186 1
346 . 1 1 25 25 PHE N N 15 115.1 0.2 . 1 . . . . 25 PHE N . 16186 1
347 . 1 1 26 26 PRO HA H 1 4.38 0.02 . 1 . . . . 26 PRO HA . 16186 1
348 . 1 1 26 26 PRO HB2 H 1 2.25 0.02 . 2 . . . . 26 PRO HB2 . 16186 1
349 . 1 1 26 26 PRO HB3 H 1 1.88 0.02 . 2 . . . . 26 PRO HB3 . 16186 1
350 . 1 1 26 26 PRO HD2 H 1 3.26 0.02 . 2 . . . . 26 PRO HD2 . 16186 1
351 . 1 1 26 26 PRO HD3 H 1 3.52 0.02 . 2 . . . . 26 PRO HD3 . 16186 1
352 . 1 1 26 26 PRO HG2 H 1 1.95 0.02 . 2 . . . . 26 PRO HG2 . 16186 1
353 . 1 1 26 26 PRO HG3 H 1 1.87 0.02 . 2 . . . . 26 PRO HG3 . 16186 1
354 . 1 1 26 26 PRO C C 13 176.9 0.2 . 1 . . . . 26 PRO C . 16186 1
355 . 1 1 26 26 PRO CA C 13 64.9 0.2 . 1 . . . . 26 PRO CA . 16186 1
356 . 1 1 26 26 PRO CB C 13 32.2 0.2 . 1 . . . . 26 PRO CB . 16186 1
357 . 1 1 26 26 PRO CD C 13 50.0 0.2 . 1 . . . . 26 PRO CD . 16186 1
358 . 1 1 26 26 PRO CG C 13 26.8 0.2 . 1 . . . . 26 PRO CG . 16186 1
359 . 1 1 27 27 ASP H H 1 8.86 0.02 . 1 . . . . 27 ASP H . 16186 1
360 . 1 1 27 27 ASP HA H 1 4.81 0.02 . 1 . . . . 27 ASP HA . 16186 1
361 . 1 1 27 27 ASP HB2 H 1 2.88 0.02 . 2 . . . . 27 ASP HB2 . 16186 1
362 . 1 1 27 27 ASP HB3 H 1 2.81 0.02 . 2 . . . . 27 ASP HB3 . 16186 1
363 . 1 1 27 27 ASP C C 13 177.2 0.2 . 1 . . . . 27 ASP C . 16186 1
364 . 1 1 27 27 ASP CA C 13 53.9 0.2 . 1 . . . . 27 ASP CA . 16186 1
365 . 1 1 27 27 ASP CB C 13 39.9 0.2 . 1 . . . . 27 ASP CB . 16186 1
366 . 1 1 27 27 ASP N N 15 114.4 0.2 . 1 . . . . 27 ASP N . 16186 1
367 . 1 1 28 28 TYR H H 1 8.30 0.02 . 1 . . . . 28 TYR H . 16186 1
368 . 1 1 28 28 TYR HA H 1 5.50 0.02 . 1 . . . . 28 TYR HA . 16186 1
369 . 1 1 28 28 TYR HB2 H 1 3.93 0.02 . 2 . . . . 28 TYR HB2 . 16186 1
370 . 1 1 28 28 TYR HB3 H 1 2.98 0.02 . 2 . . . . 28 TYR HB3 . 16186 1
371 . 1 1 28 28 TYR HD1 H 1 6.76 0.02 . 3 . . . . 28 TYR HD1 . 16186 1
372 . 1 1 28 28 TYR HD2 H 1 6.76 0.02 . 3 . . . . 28 TYR HD2 . 16186 1
373 . 1 1 28 28 TYR HE1 H 1 6.33 0.02 . 3 . . . . 28 TYR HE1 . 16186 1
374 . 1 1 28 28 TYR HE2 H 1 6.33 0.02 . 3 . . . . 28 TYR HE2 . 16186 1
375 . 1 1 28 28 TYR C C 13 175.9 0.2 . 1 . . . . 28 TYR C . 16186 1
376 . 1 1 28 28 TYR CA C 13 55.6 0.2 . 1 . . . . 28 TYR CA . 16186 1
377 . 1 1 28 28 TYR CB C 13 36.4 0.2 . 1 . . . . 28 TYR CB . 16186 1
378 . 1 1 28 28 TYR CD1 C 13 130.2 0.02 . 3 . . . . 28 TYR CD1 . 16186 1
379 . 1 1 28 28 TYR CD2 C 13 130.2 0.02 . 3 . . . . 28 TYR CD2 . 16186 1
380 . 1 1 28 28 TYR CE1 C 13 118.2 0.02 . 3 . . . . 28 TYR CE1 . 16186 1
381 . 1 1 28 28 TYR CE2 C 13 118.2 0.02 . 3 . . . . 28 TYR CE2 . 16186 1
382 . 1 1 28 28 TYR N N 15 123.7 0.2 . 1 . . . . 28 TYR N . 16186 1
383 . 1 1 29 29 ALA H H 1 9.24 0.02 . 1 . . . . 29 ALA H . 16186 1
384 . 1 1 29 29 ALA HA H 1 5.03 0.02 . 1 . . . . 29 ALA HA . 16186 1
385 . 1 1 29 29 ALA HB1 H 1 1.10 0.02 . 1 . . . . 29 ALA HB . 16186 1
386 . 1 1 29 29 ALA HB2 H 1 1.10 0.02 . 1 . . . . 29 ALA HB . 16186 1
387 . 1 1 29 29 ALA HB3 H 1 1.10 0.02 . 1 . . . . 29 ALA HB . 16186 1
388 . 1 1 29 29 ALA C C 13 174.6 0.2 . 1 . . . . 29 ALA C . 16186 1
389 . 1 1 29 29 ALA CA C 13 49.7 0.2 . 1 . . . . 29 ALA CA . 16186 1
390 . 1 1 29 29 ALA CB C 13 22.8 0.2 . 1 . . . . 29 ALA CB . 16186 1
391 . 1 1 29 29 ALA N N 15 126.0 0.2 . 1 . . . . 29 ALA N . 16186 1
392 . 1 1 30 30 VAL H H 1 8.53 0.02 . 1 . . . . 30 VAL H . 16186 1
393 . 1 1 30 30 VAL HA H 1 4.25 0.02 . 1 . . . . 30 VAL HA . 16186 1
394 . 1 1 30 30 VAL HB H 1 0.99 0.02 . 1 . . . . 30 VAL HB . 16186 1
395 . 1 1 30 30 VAL HG11 H 1 -0.45 0.02 . 2 . . . . 30 VAL HG1 . 16186 1
396 . 1 1 30 30 VAL HG12 H 1 -0.45 0.02 . 2 . . . . 30 VAL HG1 . 16186 1
397 . 1 1 30 30 VAL HG13 H 1 -0.45 0.02 . 2 . . . . 30 VAL HG1 . 16186 1
398 . 1 1 30 30 VAL HG21 H 1 -0.17 0.02 . 2 . . . . 30 VAL HG2 . 16186 1
399 . 1 1 30 30 VAL HG22 H 1 -0.17 0.02 . 2 . . . . 30 VAL HG2 . 16186 1
400 . 1 1 30 30 VAL HG23 H 1 -0.17 0.02 . 2 . . . . 30 VAL HG2 . 16186 1
401 . 1 1 30 30 VAL C C 13 173.4 0.2 . 1 . . . . 30 VAL C . 16186 1
402 . 1 1 30 30 VAL CA C 13 60.3 0.2 . 1 . . . . 30 VAL CA . 16186 1
403 . 1 1 30 30 VAL CB C 13 34.1 0.2 . 1 . . . . 30 VAL CB . 16186 1
404 . 1 1 30 30 VAL CG1 C 13 20.1 0.02 . 2 . . . . 30 VAL CG1 . 16186 1
405 . 1 1 30 30 VAL CG2 C 13 21.2 0.02 . 2 . . . . 30 VAL CG2 . 16186 1
406 . 1 1 30 30 VAL N N 15 119.7 0.2 . 1 . . . . 30 VAL N . 16186 1
407 . 1 1 31 31 PHE H H 1 8.04 0.02 . 1 . . . . 31 PHE H . 16186 1
408 . 1 1 31 31 PHE HA H 1 4.25 0.02 . 1 . . . . 31 PHE HA . 16186 1
409 . 1 1 31 31 PHE HB2 H 1 2.31 0.02 . 2 . . . . 31 PHE HB2 . 16186 1
410 . 1 1 31 31 PHE HB3 H 1 2.28 0.02 . 2 . . . . 31 PHE HB3 . 16186 1
411 . 1 1 31 31 PHE HD1 H 1 6.90 0.02 . 3 . . . . 31 PHE HD1 . 16186 1
412 . 1 1 31 31 PHE HD2 H 1 6.90 0.02 . 3 . . . . 31 PHE HD2 . 16186 1
413 . 1 1 31 31 PHE HE1 H 1 7.24 0.02 . 3 . . . . 31 PHE HE1 . 16186 1
414 . 1 1 31 31 PHE HE2 H 1 7.24 0.02 . 3 . . . . 31 PHE HE2 . 16186 1
415 . 1 1 31 31 PHE HZ H 1 7.07 0.02 . 1 . . . . 31 PHE HZ . 16186 1
416 . 1 1 31 31 PHE C C 13 173.2 0.2 . 1 . . . . 31 PHE C . 16186 1
417 . 1 1 31 31 PHE CA C 13 56.7 0.2 . 1 . . . . 31 PHE CA . 16186 1
418 . 1 1 31 31 PHE CB C 13 38.5 0.2 . 1 . . . . 31 PHE CB . 16186 1
419 . 1 1 31 31 PHE CD1 C 13 131.9 0.02 . 3 . . . . 31 PHE CD1 . 16186 1
420 . 1 1 31 31 PHE CD2 C 13 131.9 0.02 . 3 . . . . 31 PHE CD2 . 16186 1
421 . 1 1 31 31 PHE CE1 C 13 131.0 0.02 . 3 . . . . 31 PHE CE1 . 16186 1
422 . 1 1 31 31 PHE CE2 C 13 131.0 0.02 . 3 . . . . 31 PHE CE2 . 16186 1
423 . 1 1 31 31 PHE CZ C 13 128.4 0.2 . 1 . . . . 31 PHE CZ . 16186 1
424 . 1 1 31 31 PHE N N 15 124.1 0.2 . 1 . . . . 31 PHE N . 16186 1
425 . 1 1 32 32 ARG H H 1 8.72 0.02 . 1 . . . . 32 ARG H . 16186 1
426 . 1 1 32 32 ARG HA H 1 5.32 0.02 . 1 . . . . 32 ARG HA . 16186 1
427 . 1 1 32 32 ARG HB2 H 1 1.64 0.02 . 2 . . . . 32 ARG HB2 . 16186 1
428 . 1 1 32 32 ARG HB3 H 1 1.57 0.02 . 2 . . . . 32 ARG HB3 . 16186 1
429 . 1 1 32 32 ARG HD2 H 1 3.10 0.02 . 2 . . . . 32 ARG HD2 . 16186 1
430 . 1 1 32 32 ARG HD3 H 1 3.06 0.02 . 2 . . . . 32 ARG HD3 . 16186 1
431 . 1 1 32 32 ARG HE H 1 7.51 0.02 . 1 . . . . 32 ARG HE . 16186 1
432 . 1 1 32 32 ARG HG2 H 1 1.63 0.02 . 2 . . . . 32 ARG HG2 . 16186 1
433 . 1 1 32 32 ARG HG3 H 1 1.25 0.02 . 2 . . . . 32 ARG HG3 . 16186 1
434 . 1 1 32 32 ARG C C 13 176.4 0.2 . 1 . . . . 32 ARG C . 16186 1
435 . 1 1 32 32 ARG CA C 13 53.4 0.2 . 1 . . . . 32 ARG CA . 16186 1
436 . 1 1 32 32 ARG CB C 13 34.2 0.2 . 1 . . . . 32 ARG CB . 16186 1
437 . 1 1 32 32 ARG CD C 13 43.1 0.2 . 1 . . . . 32 ARG CD . 16186 1
438 . 1 1 32 32 ARG CG C 13 27.9 0.2 . 1 . . . . 32 ARG CG . 16186 1
439 . 1 1 32 32 ARG CZ C 13 159.6 0.2 . 1 . . . . 32 ARG CZ . 16186 1
440 . 1 1 32 32 ARG N N 15 122.3 0.2 . 1 . . . . 32 ARG N . 16186 1
441 . 1 1 32 32 ARG NE N 15 84.4 0.2 . 1 . . . . 32 ARG NE . 16186 1
442 . 1 1 33 33 HIS H H 1 8.56 0.02 . 1 . . . . 33 HIS H . 16186 1
443 . 1 1 33 33 HIS HA H 1 4.71 0.02 . 1 . . . . 33 HIS HA . 16186 1
444 . 1 1 33 33 HIS HB2 H 1 3.42 0.02 . 2 . . . . 33 HIS HB2 . 16186 1
445 . 1 1 33 33 HIS HB3 H 1 3.94 0.02 . 2 . . . . 33 HIS HB3 . 16186 1
446 . 1 1 33 33 HIS C C 13 176.4 0.2 . 1 . . . . 33 HIS C . 16186 1
447 . 1 1 33 33 HIS CA C 13 56.5 0.2 . 1 . . . . 33 HIS CA . 16186 1
448 . 1 1 33 33 HIS CB C 13 28.9 0.2 . 1 . . . . 33 HIS CB . 16186 1
449 . 1 1 33 33 HIS N N 15 119.8 0.2 . 1 . . . . 33 HIS N . 16186 1
450 . 1 1 34 34 SER H H 1 9.16 0.02 . 1 . . . . 34 SER H . 16186 1
451 . 1 1 34 34 SER HA H 1 4.39 0.02 . 1 . . . . 34 SER HA . 16186 1
452 . 1 1 34 34 SER HB2 H 1 4.07 0.02 . 2 . . . . 34 SER HB2 . 16186 1
453 . 1 1 34 34 SER HB3 H 1 4.07 0.02 . 2 . . . . 34 SER HB3 . 16186 1
454 . 1 1 34 34 SER C C 13 174.9 0.2 . 1 . . . . 34 SER C . 16186 1
455 . 1 1 34 34 SER CA C 13 60.4 0.2 . 1 . . . . 34 SER CA . 16186 1
456 . 1 1 34 34 SER CB C 13 63.2 0.2 . 1 . . . . 34 SER CB . 16186 1
457 . 1 1 34 34 SER N N 15 118.7 0.2 . 1 . . . . 34 SER N . 16186 1
458 . 1 1 35 35 ASP H H 1 8.66 0.02 . 1 . . . . 35 ASP H . 16186 1
459 . 1 1 35 35 ASP HA H 1 4.57 0.02 . 1 . . . . 35 ASP HA . 16186 1
460 . 1 1 35 35 ASP HB2 H 1 2.78 0.02 . 2 . . . . 35 ASP HB2 . 16186 1
461 . 1 1 35 35 ASP HB3 H 1 2.78 0.02 . 2 . . . . 35 ASP HB3 . 16186 1
462 . 1 1 35 35 ASP C C 13 177.0 0.2 . 1 . . . . 35 ASP C . 16186 1
463 . 1 1 35 35 ASP CA C 13 54.3 0.2 . 1 . . . . 35 ASP CA . 16186 1
464 . 1 1 35 35 ASP CB C 13 39.7 0.2 . 1 . . . . 35 ASP CB . 16186 1
465 . 1 1 35 35 ASP N N 15 118.2 0.2 . 1 . . . . 35 ASP N . 16186 1
466 . 1 1 36 36 ASN H H 1 7.90 0.02 . 1 . . . . 36 ASN H . 16186 1
467 . 1 1 36 36 ASN HA H 1 4.66 0.02 . 1 . . . . 36 ASN HA . 16186 1
468 . 1 1 36 36 ASN HB2 H 1 3.14 0.02 . 2 . . . . 36 ASN HB2 . 16186 1
469 . 1 1 36 36 ASN HB3 H 1 2.57 0.02 . 2 . . . . 36 ASN HB3 . 16186 1
470 . 1 1 36 36 ASN HD21 H 1 7.22 0.02 . 1 . . . . 36 ASN HD21 . 16186 1
471 . 1 1 36 36 ASN HD22 H 1 6.74 0.02 . 1 . . . . 36 ASN HD22 . 16186 1
472 . 1 1 36 36 ASN C C 13 175.1 0.2 . 1 . . . . 36 ASN C . 16186 1
473 . 1 1 36 36 ASN CA C 13 52.0 0.2 . 1 . . . . 36 ASN CA . 16186 1
474 . 1 1 36 36 ASN CB C 13 38.9 0.2 . 1 . . . . 36 ASN CB . 16186 1
475 . 1 1 36 36 ASN CG C 13 175.9 0.2 . 1 . . . . 36 ASN CG . 16186 1
476 . 1 1 36 36 ASN N N 15 116.2 0.2 . 1 . . . . 36 ASN N . 16186 1
477 . 1 1 36 36 ASN ND2 N 15 109.3 0.2 . 1 . . . . 36 ASN ND2 . 16186 1
478 . 1 1 37 37 ASP H H 1 7.89 0.02 . 1 . . . . 37 ASP H . 16186 1
479 . 1 1 37 37 ASP HA H 1 4.67 0.02 . 1 . . . . 37 ASP HA . 16186 1
480 . 1 1 37 37 ASP HB2 H 1 3.02 0.02 . 2 . . . . 37 ASP HB2 . 16186 1
481 . 1 1 37 37 ASP HB3 H 1 2.78 0.02 . 2 . . . . 37 ASP HB3 . 16186 1
482 . 1 1 37 37 ASP C C 13 175.8 0.2 . 1 . . . . 37 ASP C . 16186 1
483 . 1 1 37 37 ASP CA C 13 55.8 0.2 . 1 . . . . 37 ASP CA . 16186 1
484 . 1 1 37 37 ASP CB C 13 40.5 0.2 . 1 . . . . 37 ASP CB . 16186 1
485 . 1 1 37 37 ASP N N 15 115.3 0.2 . 1 . . . . 37 ASP N . 16186 1
486 . 1 1 38 38 LYS H H 1 8.31 0.02 . 1 . . . . 38 LYS H . 16186 1
487 . 1 1 38 38 LYS HA H 1 4.39 0.02 . 1 . . . . 38 LYS HA . 16186 1
488 . 1 1 38 38 LYS HB2 H 1 2.13 0.02 . 2 . . . . 38 LYS HB2 . 16186 1
489 . 1 1 38 38 LYS HB3 H 1 2.13 0.02 . 2 . . . . 38 LYS HB3 . 16186 1
490 . 1 1 38 38 LYS HD2 H 1 1.82 0.02 . 2 . . . . 38 LYS HD2 . 16186 1
491 . 1 1 38 38 LYS HD3 H 1 1.82 0.02 . 2 . . . . 38 LYS HD3 . 16186 1
492 . 1 1 38 38 LYS HE2 H 1 2.93 0.02 . 2 . . . . 38 LYS HE2 . 16186 1
493 . 1 1 38 38 LYS HE3 H 1 2.93 0.02 . 2 . . . . 38 LYS HE3 . 16186 1
494 . 1 1 38 38 LYS HG2 H 1 1.62 0.02 . 2 . . . . 38 LYS HG2 . 16186 1
495 . 1 1 38 38 LYS HG3 H 1 1.62 0.02 . 2 . . . . 38 LYS HG3 . 16186 1
496 . 1 1 38 38 LYS C C 13 175.3 0.2 . 1 . . . . 38 LYS C . 16186 1
497 . 1 1 38 38 LYS CA C 13 56.7 0.2 . 1 . . . . 38 LYS CA . 16186 1
498 . 1 1 38 38 LYS CB C 13 32.5 0.2 . 1 . . . . 38 LYS CB . 16186 1
499 . 1 1 38 38 LYS CD C 13 30.3 0.2 . 1 . . . . 38 LYS CD . 16186 1
500 . 1 1 38 38 LYS CE C 13 42.1 0.2 . 1 . . . . 38 LYS CE . 16186 1
501 . 1 1 38 38 LYS CG C 13 29.1 0.2 . 1 . . . . 38 LYS CG . 16186 1
502 . 1 1 38 38 LYS N N 15 119.3 0.2 . 1 . . . . 38 LYS N . 16186 1
503 . 1 1 39 39 TRP HA H 1 5.00 0.02 . 1 . . . . 39 TRP HA . 16186 1
504 . 1 1 39 39 TRP HB2 H 1 3.08 0.02 . 2 . . . . 39 TRP HB2 . 16186 1
505 . 1 1 39 39 TRP HB3 H 1 3.38 0.02 . 2 . . . . 39 TRP HB3 . 16186 1
506 . 1 1 39 39 TRP HD1 H 1 7.15 0.02 . 1 . . . . 39 TRP HD1 . 16186 1
507 . 1 1 39 39 TRP HE1 H 1 9.92 0.02 . 1 . . . . 39 TRP HE1 . 16186 1
508 . 1 1 39 39 TRP HE3 H 1 7.11 0.02 . 1 . . . . 39 TRP HE3 . 16186 1
509 . 1 1 39 39 TRP HH2 H 1 7.17 0.02 . 1 . . . . 39 TRP HH2 . 16186 1
510 . 1 1 39 39 TRP HZ2 H 1 7.40 0.02 . 1 . . . . 39 TRP HZ2 . 16186 1
511 . 1 1 39 39 TRP HZ3 H 1 7.15 0.02 . 1 . . . . 39 TRP HZ3 . 16186 1
512 . 1 1 39 39 TRP C C 13 176.1 0.2 . 1 . . . . 39 TRP C . 16186 1
513 . 1 1 39 39 TRP CA C 13 55.7 0.2 . 1 . . . . 39 TRP CA . 16186 1
514 . 1 1 39 39 TRP CB C 13 30.3 0.2 . 1 . . . . 39 TRP CB . 16186 1
515 . 1 1 39 39 TRP CD1 C 13 124.7 0.2 . 1 . . . . 39 TRP CD1 . 16186 1
516 . 1 1 39 39 TRP CE3 C 13 120.2 0.2 . 1 . . . . 39 TRP CE3 . 16186 1
517 . 1 1 39 39 TRP CH2 C 13 125.3 0.2 . 1 . . . . 39 TRP CH2 . 16186 1
518 . 1 1 39 39 TRP CZ2 C 13 114.5 0.2 . 1 . . . . 39 TRP CZ2 . 16186 1
519 . 1 1 39 39 TRP CZ3 C 13 122.3 0.2 . 1 . . . . 39 TRP CZ3 . 16186 1
520 . 1 1 39 39 TRP NE1 N 15 128.0 0.2 . 1 . . . . 39 TRP NE1 . 16186 1
521 . 1 1 40 40 TYR H H 1 9.27 0.02 . 1 . . . . 40 TYR H . 16186 1
522 . 1 1 40 40 TYR HA H 1 5.28 0.02 . 1 . . . . 40 TYR HA . 16186 1
523 . 1 1 40 40 TYR HB2 H 1 2.97 0.02 . 2 . . . . 40 TYR HB2 . 16186 1
524 . 1 1 40 40 TYR HB3 H 1 2.84 0.02 . 2 . . . . 40 TYR HB3 . 16186 1
525 . 1 1 40 40 TYR C C 13 175.4 0.2 . 1 . . . . 40 TYR C . 16186 1
526 . 1 1 40 40 TYR CA C 13 55.7 0.2 . 1 . . . . 40 TYR CA . 16186 1
527 . 1 1 40 40 TYR CB C 13 40.3 0.2 . 1 . . . . 40 TYR CB . 16186 1
528 . 1 1 40 40 TYR N N 15 114.0 0.2 . 1 . . . . 40 TYR N . 16186 1
529 . 1 1 41 41 ALA H H 1 7.76 0.02 . 1 . . . . 41 ALA H . 16186 1
530 . 1 1 41 41 ALA HA H 1 5.58 0.02 . 1 . . . . 41 ALA HA . 16186 1
531 . 1 1 41 41 ALA HB1 H 1 1.34 0.02 . 1 . . . . 41 ALA HB . 16186 1
532 . 1 1 41 41 ALA HB2 H 1 1.34 0.02 . 1 . . . . 41 ALA HB . 16186 1
533 . 1 1 41 41 ALA HB3 H 1 1.34 0.02 . 1 . . . . 41 ALA HB . 16186 1
534 . 1 1 41 41 ALA C C 13 177.3 0.2 . 1 . . . . 41 ALA C . 16186 1
535 . 1 1 41 41 ALA CA C 13 52.9 0.2 . 1 . . . . 41 ALA CA . 16186 1
536 . 1 1 41 41 ALA CB C 13 21.9 0.2 . 1 . . . . 41 ALA CB . 16186 1
537 . 1 1 41 41 ALA N N 15 121.5 0.2 . 1 . . . . 41 ALA N . 16186 1
538 . 1 1 42 42 LEU H H 1 8.30 0.02 . 1 . . . . 42 LEU H . 16186 1
539 . 1 1 42 42 LEU HA H 1 5.20 0.02 . 1 . . . . 42 LEU HA . 16186 1
540 . 1 1 42 42 LEU HB2 H 1 1.64 0.02 . 2 . . . . 42 LEU HB2 . 16186 1
541 . 1 1 42 42 LEU HB3 H 1 1.36 0.02 . 2 . . . . 42 LEU HB3 . 16186 1
542 . 1 1 42 42 LEU HD11 H 1 0.88 0.02 . 2 . . . . 42 LEU HD1 . 16186 1
543 . 1 1 42 42 LEU HD12 H 1 0.88 0.02 . 2 . . . . 42 LEU HD1 . 16186 1
544 . 1 1 42 42 LEU HD13 H 1 0.88 0.02 . 2 . . . . 42 LEU HD1 . 16186 1
545 . 1 1 42 42 LEU HD21 H 1 0.74 0.02 . 2 . . . . 42 LEU HD2 . 16186 1
546 . 1 1 42 42 LEU HD22 H 1 0.74 0.02 . 2 . . . . 42 LEU HD2 . 16186 1
547 . 1 1 42 42 LEU HD23 H 1 0.74 0.02 . 2 . . . . 42 LEU HD2 . 16186 1
548 . 1 1 42 42 LEU HG H 1 1.32 0.02 . 1 . . . . 42 LEU HG . 16186 1
549 . 1 1 42 42 LEU C C 13 173.3 0.2 . 1 . . . . 42 LEU C . 16186 1
550 . 1 1 42 42 LEU CA C 13 54.1 0.2 . 1 . . . . 42 LEU CA . 16186 1
551 . 1 1 42 42 LEU CB C 13 45.9 0.2 . 1 . . . . 42 LEU CB . 16186 1
552 . 1 1 42 42 LEU CD1 C 13 26.7 0.02 . 2 . . . . 42 LEU CD1 . 16186 1
553 . 1 1 42 42 LEU CD2 C 13 23.6 0.02 . 2 . . . . 42 LEU CD2 . 16186 1
554 . 1 1 42 42 LEU CG C 13 28.3 0.2 . 1 . . . . 42 LEU CG . 16186 1
555 . 1 1 42 42 LEU N N 15 123.7 0.2 . 1 . . . . 42 LEU N . 16186 1
556 . 1 1 43 43 LEU H H 1 9.70 0.02 . 1 . . . . 43 LEU H . 16186 1
557 . 1 1 43 43 LEU HA H 1 5.25 0.02 . 1 . . . . 43 LEU HA . 16186 1
558 . 1 1 43 43 LEU HB2 H 1 2.21 0.02 . 2 . . . . 43 LEU HB2 . 16186 1
559 . 1 1 43 43 LEU HB3 H 1 1.36 0.02 . 2 . . . . 43 LEU HB3 . 16186 1
560 . 1 1 43 43 LEU HD11 H 1 1.07 0.02 . 2 . . . . 43 LEU HD1 . 16186 1
561 . 1 1 43 43 LEU HD12 H 1 1.07 0.02 . 2 . . . . 43 LEU HD1 . 16186 1
562 . 1 1 43 43 LEU HD13 H 1 1.07 0.02 . 2 . . . . 43 LEU HD1 . 16186 1
563 . 1 1 43 43 LEU HD21 H 1 0.75 0.02 . 2 . . . . 43 LEU HD2 . 16186 1
564 . 1 1 43 43 LEU HD22 H 1 0.75 0.02 . 2 . . . . 43 LEU HD2 . 16186 1
565 . 1 1 43 43 LEU HD23 H 1 0.75 0.02 . 2 . . . . 43 LEU HD2 . 16186 1
566 . 1 1 43 43 LEU HG H 1 1.63 0.02 . 1 . . . . 43 LEU HG . 16186 1
567 . 1 1 43 43 LEU C C 13 173.3 0.2 . 1 . . . . 43 LEU C . 16186 1
568 . 1 1 43 43 LEU CA C 13 54.0 0.2 . 1 . . . . 43 LEU CA . 16186 1
569 . 1 1 43 43 LEU CB C 13 46.0 0.2 . 1 . . . . 43 LEU CB . 16186 1
570 . 1 1 43 43 LEU CD1 C 13 27.0 0.02 . 2 . . . . 43 LEU CD1 . 16186 1
571 . 1 1 43 43 LEU CD2 C 13 23.6 0.02 . 2 . . . . 43 LEU CD2 . 16186 1
572 . 1 1 43 43 LEU CG C 13 27.7 0.2 . 1 . . . . 43 LEU CG . 16186 1
573 . 1 1 43 43 LEU N N 15 130.4 0.2 . 1 . . . . 43 LEU N . 16186 1
574 . 1 1 44 44 MET H H 1 8.80 0.02 . 1 . . . . 44 MET H . 16186 1
575 . 1 1 44 44 MET HA H 1 4.42 0.02 . 1 . . . . 44 MET HA . 16186 1
576 . 1 1 44 44 MET HB2 H 1 1.18 0.02 . 2 . . . . 44 MET HB2 . 16186 1
577 . 1 1 44 44 MET HB3 H 1 1.05 0.02 . 2 . . . . 44 MET HB3 . 16186 1
578 . 1 1 44 44 MET HE1 H 1 1.72 0.02 . 1 . . . . 44 MET HE . 16186 1
579 . 1 1 44 44 MET HE2 H 1 1.72 0.02 . 1 . . . . 44 MET HE . 16186 1
580 . 1 1 44 44 MET HE3 H 1 1.72 0.02 . 1 . . . . 44 MET HE . 16186 1
581 . 1 1 44 44 MET HG2 H 1 1.51 0.02 . 2 . . . . 44 MET HG2 . 16186 1
582 . 1 1 44 44 MET HG3 H 1 1.51 0.02 . 2 . . . . 44 MET HG3 . 16186 1
583 . 1 1 44 44 MET C C 13 172.5 0.2 . 1 . . . . 44 MET C . 16186 1
584 . 1 1 44 44 MET CA C 13 55.0 0.2 . 1 . . . . 44 MET CA . 16186 1
585 . 1 1 44 44 MET CB C 13 39.1 0.2 . 1 . . . . 44 MET CB . 16186 1
586 . 1 1 44 44 MET CE C 13 18.0 0.2 . 1 . . . . 44 MET CE . 16186 1
587 . 1 1 44 44 MET CG C 13 32.0 0.2 . 1 . . . . 44 MET CG . 16186 1
588 . 1 1 44 44 MET N N 15 122.8 0.2 . 1 . . . . 44 MET N . 16186 1
589 . 1 1 45 45 ASP H H 1 7.96 0.02 . 1 . . . . 45 ASP H . 16186 1
590 . 1 1 45 45 ASP HA H 1 5.49 0.02 . 1 . . . . 45 ASP HA . 16186 1
591 . 1 1 45 45 ASP HB2 H 1 2.75 0.02 . 2 . . . . 45 ASP HB2 . 16186 1
592 . 1 1 45 45 ASP HB3 H 1 2.33 0.02 . 2 . . . . 45 ASP HB3 . 16186 1
593 . 1 1 45 45 ASP C C 13 175.2 0.2 . 1 . . . . 45 ASP C . 16186 1
594 . 1 1 45 45 ASP CA C 13 51.9 0.2 . 1 . . . . 45 ASP CA . 16186 1
595 . 1 1 45 45 ASP CB C 13 40.8 0.2 . 1 . . . . 45 ASP CB . 16186 1
596 . 1 1 45 45 ASP N N 15 119.4 0.2 . 1 . . . . 45 ASP N . 16186 1
597 . 1 1 46 46 ILE H H 1 8.80 0.02 . 1 . . . . 46 ILE H . 16186 1
598 . 1 1 46 46 ILE HA H 1 4.87 0.02 . 1 . . . . 46 ILE HA . 16186 1
599 . 1 1 46 46 ILE HB H 1 1.28 0.02 . 1 . . . . 46 ILE HB . 16186 1
600 . 1 1 46 46 ILE HD11 H 1 0.01 0.02 . 1 . . . . 46 ILE HD1 . 16186 1
601 . 1 1 46 46 ILE HD12 H 1 0.01 0.02 . 1 . . . . 46 ILE HD1 . 16186 1
602 . 1 1 46 46 ILE HD13 H 1 0.01 0.02 . 1 . . . . 46 ILE HD1 . 16186 1
603 . 1 1 46 46 ILE HG12 H 1 0.51 0.02 . 2 . . . . 46 ILE HG12 . 16186 1
604 . 1 1 46 46 ILE HG13 H 1 0.99 0.02 . 2 . . . . 46 ILE HG13 . 16186 1
605 . 1 1 46 46 ILE HG21 H 1 0.44 0.02 . 1 . . . . 46 ILE HG2 . 16186 1
606 . 1 1 46 46 ILE HG22 H 1 0.44 0.02 . 1 . . . . 46 ILE HG2 . 16186 1
607 . 1 1 46 46 ILE HG23 H 1 0.44 0.02 . 1 . . . . 46 ILE HG2 . 16186 1
608 . 1 1 46 46 ILE CA C 13 57.7 0.2 . 1 . . . . 46 ILE CA . 16186 1
609 . 1 1 46 46 ILE CB C 13 40.1 0.2 . 1 . . . . 46 ILE CB . 16186 1
610 . 1 1 46 46 ILE CD1 C 13 14.5 0.2 . 1 . . . . 46 ILE CD1 . 16186 1
611 . 1 1 46 46 ILE CG1 C 13 24.7 0.2 . 1 . . . . 46 ILE CG1 . 16186 1
612 . 1 1 46 46 ILE CG2 C 13 19.0 0.2 . 1 . . . . 46 ILE CG2 . 16186 1
613 . 1 1 46 46 ILE N N 15 117.4 0.2 . 1 . . . . 46 ILE N . 16186 1
614 . 1 1 47 47 PRO HA H 1 4.42 0.02 . 1 . . . . 47 PRO HA . 16186 1
615 . 1 1 47 47 PRO HB2 H 1 2.46 0.02 . 2 . . . . 47 PRO HB2 . 16186 1
616 . 1 1 47 47 PRO HB3 H 1 1.83 0.02 . 2 . . . . 47 PRO HB3 . 16186 1
617 . 1 1 47 47 PRO HD2 H 1 3.34 0.02 . 2 . . . . 47 PRO HD2 . 16186 1
618 . 1 1 47 47 PRO HD3 H 1 3.80 0.02 . 2 . . . . 47 PRO HD3 . 16186 1
619 . 1 1 47 47 PRO HG2 H 1 1.97 0.02 . 2 . . . . 47 PRO HG2 . 16186 1
620 . 1 1 47 47 PRO HG3 H 1 2.09 0.02 . 2 . . . . 47 PRO HG3 . 16186 1
621 . 1 1 47 47 PRO C C 13 177.8 0.2 . 1 . . . . 47 PRO C . 16186 1
622 . 1 1 47 47 PRO CA C 13 63.0 0.2 . 1 . . . . 47 PRO CA . 16186 1
623 . 1 1 47 47 PRO CB C 13 31.9 0.2 . 1 . . . . 47 PRO CB . 16186 1
624 . 1 1 47 47 PRO CD C 13 51.1 0.2 . 1 . . . . 47 PRO CD . 16186 1
625 . 1 1 47 47 PRO CG C 13 28.4 0.2 . 1 . . . . 47 PRO CG . 16186 1
626 . 1 1 48 48 ALA H H 1 8.55 0.02 . 1 . . . . 48 ALA H . 16186 1
627 . 1 1 48 48 ALA HA H 1 3.55 0.02 . 1 . . . . 48 ALA HA . 16186 1
628 . 1 1 48 48 ALA HB1 H 1 1.17 0.02 . 1 . . . . 48 ALA HB . 16186 1
629 . 1 1 48 48 ALA HB2 H 1 1.17 0.02 . 1 . . . . 48 ALA HB . 16186 1
630 . 1 1 48 48 ALA HB3 H 1 1.17 0.02 . 1 . . . . 48 ALA HB . 16186 1
631 . 1 1 48 48 ALA C C 13 179.2 0.2 . 1 . . . . 48 ALA C . 16186 1
632 . 1 1 48 48 ALA CA C 13 55.2 0.2 . 1 . . . . 48 ALA CA . 16186 1
633 . 1 1 48 48 ALA CB C 13 17.7 0.2 . 1 . . . . 48 ALA CB . 16186 1
634 . 1 1 48 48 ALA N N 15 130.1 0.2 . 1 . . . . 48 ALA N . 16186 1
635 . 1 1 49 49 GLU H H 1 8.70 0.02 . 1 . . . . 49 GLU H . 16186 1
636 . 1 1 49 49 GLU HA H 1 4.18 0.02 . 1 . . . . 49 GLU HA . 16186 1
637 . 1 1 49 49 GLU HB2 H 1 2.10 0.02 . 2 . . . . 49 GLU HB2 . 16186 1
638 . 1 1 49 49 GLU HB3 H 1 2.10 0.02 . 2 . . . . 49 GLU HB3 . 16186 1
639 . 1 1 49 49 GLU HG2 H 1 2.28 0.02 . 2 . . . . 49 GLU HG2 . 16186 1
640 . 1 1 49 49 GLU HG3 H 1 2.28 0.02 . 2 . . . . 49 GLU HG3 . 16186 1
641 . 1 1 49 49 GLU C C 13 179.8 0.2 . 1 . . . . 49 GLU C . 16186 1
642 . 1 1 49 49 GLU CA C 13 58.2 0.2 . 1 . . . . 49 GLU CA . 16186 1
643 . 1 1 49 49 GLU CB C 13 28.2 0.2 . 1 . . . . 49 GLU CB . 16186 1
644 . 1 1 49 49 GLU CG C 13 34.6 0.2 . 1 . . . . 49 GLU CG . 16186 1
645 . 1 1 49 49 GLU N N 15 114.9 0.2 . 1 . . . . 49 GLU N . 16186 1
646 . 1 1 50 50 LYS H H 1 7.91 0.02 . 1 . . . . 50 LYS H . 16186 1
647 . 1 1 50 50 LYS HA H 1 4.06 0.02 . 1 . . . . 50 LYS HA . 16186 1
648 . 1 1 50 50 LYS HB2 H 1 1.73 0.02 . 2 . . . . 50 LYS HB2 . 16186 1
649 . 1 1 50 50 LYS HB3 H 1 1.71 0.02 . 2 . . . . 50 LYS HB3 . 16186 1
650 . 1 1 50 50 LYS HD2 H 1 1.63 0.02 . 2 . . . . 50 LYS HD2 . 16186 1
651 . 1 1 50 50 LYS HD3 H 1 1.64 0.02 . 2 . . . . 50 LYS HD3 . 16186 1
652 . 1 1 50 50 LYS HE2 H 1 2.75 0.02 . 2 . . . . 50 LYS HE2 . 16186 1
653 . 1 1 50 50 LYS HE3 H 1 2.86 0.02 . 2 . . . . 50 LYS HE3 . 16186 1
654 . 1 1 50 50 LYS HG2 H 1 1.42 0.02 . 2 . . . . 50 LYS HG2 . 16186 1
655 . 1 1 50 50 LYS HG3 H 1 1.42 0.02 . 2 . . . . 50 LYS HG3 . 16186 1
656 . 1 1 50 50 LYS C C 13 178.1 0.2 . 1 . . . . 50 LYS C . 16186 1
657 . 1 1 50 50 LYS CA C 13 56.9 0.2 . 1 . . . . 50 LYS CA . 16186 1
658 . 1 1 50 50 LYS CB C 13 31.7 0.2 . 1 . . . . 50 LYS CB . 16186 1
659 . 1 1 50 50 LYS CD C 13 27.7 0.2 . 1 . . . . 50 LYS CD . 16186 1
660 . 1 1 50 50 LYS CE C 13 42.6 0.2 . 1 . . . . 50 LYS CE . 16186 1
661 . 1 1 50 50 LYS CG C 13 25.2 0.2 . 1 . . . . 50 LYS CG . 16186 1
662 . 1 1 50 50 LYS N N 15 118.1 0.2 . 1 . . . . 50 LYS N . 16186 1
663 . 1 1 51 51 ILE H H 1 7.19 0.02 . 1 . . . . 51 ILE H . 16186 1
664 . 1 1 51 51 ILE HA H 1 4.49 0.02 . 1 . . . . 51 ILE HA . 16186 1
665 . 1 1 51 51 ILE HB H 1 1.73 0.02 . 1 . . . . 51 ILE HB . 16186 1
666 . 1 1 51 51 ILE HD11 H 1 0.10 0.02 . 1 . . . . 51 ILE HD1 . 16186 1
667 . 1 1 51 51 ILE HD12 H 1 0.10 0.02 . 1 . . . . 51 ILE HD1 . 16186 1
668 . 1 1 51 51 ILE HD13 H 1 0.10 0.02 . 1 . . . . 51 ILE HD1 . 16186 1
669 . 1 1 51 51 ILE HG12 H 1 0.95 0.02 . 2 . . . . 51 ILE HG12 . 16186 1
670 . 1 1 51 51 ILE HG13 H 1 0.56 0.02 . 2 . . . . 51 ILE HG13 . 16186 1
671 . 1 1 51 51 ILE HG21 H 1 0.40 0.02 . 1 . . . . 51 ILE HG2 . 16186 1
672 . 1 1 51 51 ILE HG22 H 1 0.40 0.02 . 1 . . . . 51 ILE HG2 . 16186 1
673 . 1 1 51 51 ILE HG23 H 1 0.40 0.02 . 1 . . . . 51 ILE HG2 . 16186 1
674 . 1 1 51 51 ILE C C 13 175.3 0.2 . 1 . . . . 51 ILE C . 16186 1
675 . 1 1 51 51 ILE CA C 13 60.1 0.2 . 1 . . . . 51 ILE CA . 16186 1
676 . 1 1 51 51 ILE CB C 13 37.4 0.2 . 1 . . . . 51 ILE CB . 16186 1
677 . 1 1 51 51 ILE CD1 C 13 14.4 0.2 . 1 . . . . 51 ILE CD1 . 16186 1
678 . 1 1 51 51 ILE CG1 C 13 25.9 0.2 . 1 . . . . 51 ILE CG1 . 16186 1
679 . 1 1 51 51 ILE CG2 C 13 17.1 0.2 . 1 . . . . 51 ILE CG2 . 16186 1
680 . 1 1 51 51 ILE N N 15 109.0 0.2 . 1 . . . . 51 ILE N . 16186 1
681 . 1 1 52 52 GLY H H 1 7.37 0.02 . 1 . . . . 52 GLY H . 16186 1
682 . 1 1 52 52 GLY HA2 H 1 4.05 0.02 . 2 . . . . 52 GLY HA2 . 16186 1
683 . 1 1 52 52 GLY HA3 H 1 3.73 0.02 . 2 . . . . 52 GLY HA3 . 16186 1
684 . 1 1 52 52 GLY C C 13 174.2 0.2 . 1 . . . . 52 GLY C . 16186 1
685 . 1 1 52 52 GLY CA C 13 46.1 0.2 . 1 . . . . 52 GLY CA . 16186 1
686 . 1 1 52 52 GLY N N 15 106.9 0.2 . 1 . . . . 52 GLY N . 16186 1
687 . 1 1 53 53 ILE H H 1 7.26 0.02 . 1 . . . . 53 ILE H . 16186 1
688 . 1 1 53 53 ILE HA H 1 4.04 0.02 . 1 . . . . 53 ILE HA . 16186 1
689 . 1 1 53 53 ILE HB H 1 1.45 0.02 . 1 . . . . 53 ILE HB . 16186 1
690 . 1 1 53 53 ILE HD11 H 1 0.59 0.02 . 1 . . . . 53 ILE HD1 . 16186 1
691 . 1 1 53 53 ILE HD12 H 1 0.59 0.02 . 1 . . . . 53 ILE HD1 . 16186 1
692 . 1 1 53 53 ILE HD13 H 1 0.59 0.02 . 1 . . . . 53 ILE HD1 . 16186 1
693 . 1 1 53 53 ILE HG12 H 1 0.85 0.02 . 2 . . . . 53 ILE HG12 . 16186 1
694 . 1 1 53 53 ILE HG13 H 1 1.22 0.02 . 2 . . . . 53 ILE HG13 . 16186 1
695 . 1 1 53 53 ILE HG21 H 1 0.79 0.02 . 1 . . . . 53 ILE HG2 . 16186 1
696 . 1 1 53 53 ILE HG22 H 1 0.79 0.02 . 1 . . . . 53 ILE HG2 . 16186 1
697 . 1 1 53 53 ILE HG23 H 1 0.79 0.02 . 1 . . . . 53 ILE HG2 . 16186 1
698 . 1 1 53 53 ILE C C 13 174.7 0.2 . 1 . . . . 53 ILE C . 16186 1
699 . 1 1 53 53 ILE CA C 13 60.5 0.2 . 1 . . . . 53 ILE CA . 16186 1
700 . 1 1 53 53 ILE CB C 13 38.7 0.2 . 1 . . . . 53 ILE CB . 16186 1
701 . 1 1 53 53 ILE CD1 C 13 14.0 0.2 . 1 . . . . 53 ILE CD1 . 16186 1
702 . 1 1 53 53 ILE CG1 C 13 27.8 0.2 . 1 . . . . 53 ILE CG1 . 16186 1
703 . 1 1 53 53 ILE CG2 C 13 16.8 0.2 . 1 . . . . 53 ILE CG2 . 16186 1
704 . 1 1 53 53 ILE N N 15 121.9 0.2 . 1 . . . . 53 ILE N . 16186 1
705 . 1 1 54 54 ASN H H 1 8.28 0.02 . 1 . . . . 54 ASN H . 16186 1
706 . 1 1 54 54 ASN HA H 1 4.54 0.02 . 1 . . . . 54 ASN HA . 16186 1
707 . 1 1 54 54 ASN HB2 H 1 2.82 0.02 . 2 . . . . 54 ASN HB2 . 16186 1
708 . 1 1 54 54 ASN HB3 H 1 2.69 0.02 . 2 . . . . 54 ASN HB3 . 16186 1
709 . 1 1 54 54 ASN HD21 H 1 7.60 0.02 . 1 . . . . 54 ASN HD21 . 16186 1
710 . 1 1 54 54 ASN HD22 H 1 6.93 0.02 . 1 . . . . 54 ASN HD22 . 16186 1
711 . 1 1 54 54 ASN C C 13 175.4 0.2 . 1 . . . . 54 ASN C . 16186 1
712 . 1 1 54 54 ASN CA C 13 53.7 0.2 . 1 . . . . 54 ASN CA . 16186 1
713 . 1 1 54 54 ASN CB C 13 39.0 0.2 . 1 . . . . 54 ASN CB . 16186 1
714 . 1 1 54 54 ASN CG C 13 176.7 0.2 . 1 . . . . 54 ASN CG . 16186 1
715 . 1 1 54 54 ASN N N 15 123.3 0.2 . 1 . . . . 54 ASN N . 16186 1
716 . 1 1 54 54 ASN ND2 N 15 113.0 0.2 . 1 . . . . 54 ASN ND2 . 16186 1
717 . 1 1 55 55 GLY H H 1 8.24 0.02 . 1 . . . . 55 GLY H . 16186 1
718 . 1 1 55 55 GLY HA2 H 1 4.23 0.02 . 2 . . . . 55 GLY HA2 . 16186 1
719 . 1 1 55 55 GLY HA3 H 1 3.74 0.02 . 2 . . . . 55 GLY HA3 . 16186 1
720 . 1 1 55 55 GLY C C 13 173.2 0.2 . 1 . . . . 55 GLY C . 16186 1
721 . 1 1 55 55 GLY CA C 13 44.8 0.2 . 1 . . . . 55 GLY CA . 16186 1
722 . 1 1 55 55 GLY N N 15 110.2 0.2 . 1 . . . . 55 GLY N . 16186 1
723 . 1 1 56 56 ASP H H 1 8.32 0.02 . 1 . . . . 56 ASP H . 16186 1
724 . 1 1 56 56 ASP HA H 1 4.70 0.02 . 1 . . . . 56 ASP HA . 16186 1
725 . 1 1 56 56 ASP HB2 H 1 2.64 0.02 . 2 . . . . 56 ASP HB2 . 16186 1
726 . 1 1 56 56 ASP HB3 H 1 2.69 0.02 . 2 . . . . 56 ASP HB3 . 16186 1
727 . 1 1 56 56 ASP C C 13 175.8 0.2 . 1 . . . . 56 ASP C . 16186 1
728 . 1 1 56 56 ASP CA C 13 53.4 0.2 . 1 . . . . 56 ASP CA . 16186 1
729 . 1 1 56 56 ASP CB C 13 40.5 0.2 . 1 . . . . 56 ASP CB . 16186 1
730 . 1 1 56 56 ASP N N 15 119.0 0.2 . 1 . . . . 56 ASP N . 16186 1
731 . 1 1 57 57 LYS H H 1 7.78 0.02 . 1 . . . . 57 LYS H . 16186 1
732 . 1 1 57 57 LYS HA H 1 4.40 0.02 . 1 . . . . 57 LYS HA . 16186 1
733 . 1 1 57 57 LYS HB2 H 1 1.82 0.02 . 2 . . . . 57 LYS HB2 . 16186 1
734 . 1 1 57 57 LYS HB3 H 1 1.74 0.02 . 2 . . . . 57 LYS HB3 . 16186 1
735 . 1 1 57 57 LYS HD2 H 1 1.62 0.02 . 2 . . . . 57 LYS HD2 . 16186 1
736 . 1 1 57 57 LYS HD3 H 1 1.62 0.02 . 2 . . . . 57 LYS HD3 . 16186 1
737 . 1 1 57 57 LYS HE2 H 1 2.91 0.02 . 2 . . . . 57 LYS HE2 . 16186 1
738 . 1 1 57 57 LYS HE3 H 1 2.91 0.02 . 2 . . . . 57 LYS HE3 . 16186 1
739 . 1 1 57 57 LYS HG2 H 1 1.31 0.02 . 2 . . . . 57 LYS HG2 . 16186 1
740 . 1 1 57 57 LYS HG3 H 1 1.31 0.02 . 2 . . . . 57 LYS HG3 . 16186 1
741 . 1 1 57 57 LYS C C 13 175.7 0.2 . 1 . . . . 57 LYS C . 16186 1
742 . 1 1 57 57 LYS CA C 13 55.6 0.2 . 1 . . . . 57 LYS CA . 16186 1
743 . 1 1 57 57 LYS CB C 13 33.7 0.2 . 1 . . . . 57 LYS CB . 16186 1
744 . 1 1 57 57 LYS CD C 13 28.9 0.2 . 1 . . . . 57 LYS CD . 16186 1
745 . 1 1 57 57 LYS CE C 13 42.2 0.2 . 1 . . . . 57 LYS CE . 16186 1
746 . 1 1 57 57 LYS CG C 13 24.7 0.2 . 1 . . . . 57 LYS CG . 16186 1
747 . 1 1 57 57 LYS N N 15 119.5 0.2 . 1 . . . . 57 LYS N . 16186 1
748 . 1 1 58 58 ARG H H 1 8.41 0.02 . 1 . . . . 58 ARG H . 16186 1
749 . 1 1 58 58 ARG HA H 1 4.74 0.02 . 1 . . . . 58 ARG HA . 16186 1
750 . 1 1 58 58 ARG HB2 H 1 1.61 0.02 . 2 . . . . 58 ARG HB2 . 16186 1
751 . 1 1 58 58 ARG HB3 H 1 1.57 0.02 . 2 . . . . 58 ARG HB3 . 16186 1
752 . 1 1 58 58 ARG HD2 H 1 3.20 0.02 . 2 . . . . 58 ARG HD2 . 16186 1
753 . 1 1 58 58 ARG HD3 H 1 3.02 0.02 . 2 . . . . 58 ARG HD3 . 16186 1
754 . 1 1 58 58 ARG HE H 1 7.79 0.02 . 1 . . . . 58 ARG HE . 16186 1
755 . 1 1 58 58 ARG HG2 H 1 1.32 0.02 . 2 . . . . 58 ARG HG2 . 16186 1
756 . 1 1 58 58 ARG HG3 H 1 1.59 0.02 . 2 . . . . 58 ARG HG3 . 16186 1
757 . 1 1 58 58 ARG C C 13 176.2 0.2 . 1 . . . . 58 ARG C . 16186 1
758 . 1 1 58 58 ARG CA C 13 55.3 0.2 . 1 . . . . 58 ARG CA . 16186 1
759 . 1 1 58 58 ARG CB C 13 31.7 0.2 . 1 . . . . 58 ARG CB . 16186 1
760 . 1 1 58 58 ARG CD C 13 43.9 0.2 . 1 . . . . 58 ARG CD . 16186 1
761 . 1 1 58 58 ARG CG C 13 26.7 0.2 . 1 . . . . 58 ARG CG . 16186 1
762 . 1 1 58 58 ARG CZ C 13 160.2 0.2 . 1 . . . . 58 ARG CZ . 16186 1
763 . 1 1 58 58 ARG N N 15 120.9 0.2 . 1 . . . . 58 ARG N . 16186 1
764 . 1 1 58 58 ARG NE N 15 85.8 0.2 . 1 . . . . 58 ARG NE . 16186 1
765 . 1 1 59 59 VAL H H 1 9.03 0.02 . 1 . . . . 59 VAL H . 16186 1
766 . 1 1 59 59 VAL HA H 1 4.57 0.02 . 1 . . . . 59 VAL HA . 16186 1
767 . 1 1 59 59 VAL HB H 1 1.95 0.02 . 1 . . . . 59 VAL HB . 16186 1
768 . 1 1 59 59 VAL HG11 H 1 0.74 0.02 . 2 . . . . 59 VAL HG1 . 16186 1
769 . 1 1 59 59 VAL HG12 H 1 0.74 0.02 . 2 . . . . 59 VAL HG1 . 16186 1
770 . 1 1 59 59 VAL HG13 H 1 0.74 0.02 . 2 . . . . 59 VAL HG1 . 16186 1
771 . 1 1 59 59 VAL HG21 H 1 0.48 0.02 . 2 . . . . 59 VAL HG2 . 16186 1
772 . 1 1 59 59 VAL HG22 H 1 0.48 0.02 . 2 . . . . 59 VAL HG2 . 16186 1
773 . 1 1 59 59 VAL HG23 H 1 0.48 0.02 . 2 . . . . 59 VAL HG2 . 16186 1
774 . 1 1 59 59 VAL C C 13 173.9 0.2 . 1 . . . . 59 VAL C . 16186 1
775 . 1 1 59 59 VAL CA C 13 58.7 0.2 . 1 . . . . 59 VAL CA . 16186 1
776 . 1 1 59 59 VAL CB C 13 34.7 0.2 . 1 . . . . 59 VAL CB . 16186 1
777 . 1 1 59 59 VAL CG1 C 13 22.4 0.02 . 2 . . . . 59 VAL CG1 . 16186 1
778 . 1 1 59 59 VAL CG2 C 13 18.3 0.02 . 2 . . . . 59 VAL CG2 . 16186 1
779 . 1 1 59 59 VAL N N 15 115.6 0.2 . 1 . . . . 59 VAL N . 16186 1
780 . 1 1 60 60 ASP H H 1 8.29 0.02 . 1 . . . . 60 ASP H . 16186 1
781 . 1 1 60 60 ASP HA H 1 5.56 0.02 . 1 . . . . 60 ASP HA . 16186 1
782 . 1 1 60 60 ASP HB2 H 1 2.51 0.02 . 2 . . . . 60 ASP HB2 . 16186 1
783 . 1 1 60 60 ASP HB3 H 1 2.24 0.02 . 2 . . . . 60 ASP HB3 . 16186 1
784 . 1 1 60 60 ASP C C 13 175.8 0.2 . 1 . . . . 60 ASP C . 16186 1
785 . 1 1 60 60 ASP CA C 13 53.6 0.2 . 1 . . . . 60 ASP CA . 16186 1
786 . 1 1 60 60 ASP CB C 13 43.1 0.2 . 1 . . . . 60 ASP CB . 16186 1
787 . 1 1 60 60 ASP N N 15 120.7 0.2 . 1 . . . . 60 ASP N . 16186 1
788 . 1 1 61 61 VAL H H 1 9.08 0.02 . 1 . . . . 61 VAL H . 16186 1
789 . 1 1 61 61 VAL HA H 1 5.15 0.02 . 1 . . . . 61 VAL HA . 16186 1
790 . 1 1 61 61 VAL HB H 1 1.99 0.02 . 1 . . . . 61 VAL HB . 16186 1
791 . 1 1 61 61 VAL HG11 H 1 0.54 0.02 . 2 . . . . 61 VAL HG1 . 16186 1
792 . 1 1 61 61 VAL HG12 H 1 0.54 0.02 . 2 . . . . 61 VAL HG1 . 16186 1
793 . 1 1 61 61 VAL HG13 H 1 0.54 0.02 . 2 . . . . 61 VAL HG1 . 16186 1
794 . 1 1 61 61 VAL HG21 H 1 0.52 0.02 . 2 . . . . 61 VAL HG2 . 16186 1
795 . 1 1 61 61 VAL HG22 H 1 0.52 0.02 . 2 . . . . 61 VAL HG2 . 16186 1
796 . 1 1 61 61 VAL HG23 H 1 0.52 0.02 . 2 . . . . 61 VAL HG2 . 16186 1
797 . 1 1 61 61 VAL C C 13 173.8 0.2 . 1 . . . . 61 VAL C . 16186 1
798 . 1 1 61 61 VAL CA C 13 57.6 0.2 . 1 . . . . 61 VAL CA . 16186 1
799 . 1 1 61 61 VAL CB C 13 35.5 0.2 . 1 . . . . 61 VAL CB . 16186 1
800 . 1 1 61 61 VAL CG1 C 13 21.0 0.02 . 2 . . . . 61 VAL CG1 . 16186 1
801 . 1 1 61 61 VAL CG2 C 13 18.3 0.02 . 2 . . . . 61 VAL CG2 . 16186 1
802 . 1 1 61 61 VAL N N 15 115.2 0.2 . 1 . . . . 61 VAL N . 16186 1
803 . 1 1 62 62 ILE H H 1 8.53 0.02 . 1 . . . . 62 ILE H . 16186 1
804 . 1 1 62 62 ILE HA H 1 5.55 0.02 . 1 . . . . 62 ILE HA . 16186 1
805 . 1 1 62 62 ILE HB H 1 1.25 0.02 . 1 . . . . 62 ILE HB . 16186 1
806 . 1 1 62 62 ILE HD11 H 1 0.34 0.02 . 1 . . . . 62 ILE HD1 . 16186 1
807 . 1 1 62 62 ILE HD12 H 1 0.34 0.02 . 1 . . . . 62 ILE HD1 . 16186 1
808 . 1 1 62 62 ILE HD13 H 1 0.34 0.02 . 1 . . . . 62 ILE HD1 . 16186 1
809 . 1 1 62 62 ILE HG12 H 1 1.45 0.02 . 2 . . . . 62 ILE HG12 . 16186 1
810 . 1 1 62 62 ILE HG13 H 1 0.72 0.02 . 2 . . . . 62 ILE HG13 . 16186 1
811 . 1 1 62 62 ILE HG21 H 1 0.12 0.02 . 1 . . . . 62 ILE HG2 . 16186 1
812 . 1 1 62 62 ILE HG22 H 1 0.12 0.02 . 1 . . . . 62 ILE HG2 . 16186 1
813 . 1 1 62 62 ILE HG23 H 1 0.12 0.02 . 1 . . . . 62 ILE HG2 . 16186 1
814 . 1 1 62 62 ILE CA C 13 57.8 0.2 . 1 . . . . 62 ILE CA . 16186 1
815 . 1 1 62 62 ILE CB C 13 41.7 0.2 . 1 . . . . 62 ILE CB . 16186 1
816 . 1 1 62 62 ILE CD1 C 13 14.6 0.2 . 1 . . . . 62 ILE CD1 . 16186 1
817 . 1 1 62 62 ILE CG1 C 13 25.7 0.2 . 1 . . . . 62 ILE CG1 . 16186 1
818 . 1 1 62 62 ILE CG2 C 13 18.5 0.2 . 1 . . . . 62 ILE CG2 . 16186 1
819 . 1 1 62 62 ILE N N 15 112.0 0.2 . 1 . . . . 62 ILE N . 16186 1
820 . 1 1 64 64 LEU HA H 1 4.96 0.02 . 1 . . . . 64 LEU HA . 16186 1
821 . 1 1 64 64 LEU HB2 H 1 1.47 0.02 . 2 . . . . 64 LEU HB2 . 16186 1
822 . 1 1 64 64 LEU HB3 H 1 1.43 0.02 . 2 . . . . 64 LEU HB3 . 16186 1
823 . 1 1 64 64 LEU HD11 H 1 0.79 0.02 . 2 . . . . 64 LEU HD1 . 16186 1
824 . 1 1 64 64 LEU HD12 H 1 0.79 0.02 . 2 . . . . 64 LEU HD1 . 16186 1
825 . 1 1 64 64 LEU HD13 H 1 0.79 0.02 . 2 . . . . 64 LEU HD1 . 16186 1
826 . 1 1 64 64 LEU HD21 H 1 1.30 0.02 . 2 . . . . 64 LEU HD2 . 16186 1
827 . 1 1 64 64 LEU HD22 H 1 1.30 0.02 . 2 . . . . 64 LEU HD2 . 16186 1
828 . 1 1 64 64 LEU HD23 H 1 1.30 0.02 . 2 . . . . 64 LEU HD2 . 16186 1
829 . 1 1 64 64 LEU HG H 1 1.53 0.02 . 1 . . . . 64 LEU HG . 16186 1
830 . 1 1 64 64 LEU C C 13 173.1 0.2 . 1 . . . . 64 LEU C . 16186 1
831 . 1 1 64 64 LEU CA C 13 53.5 0.2 . 1 . . . . 64 LEU CA . 16186 1
832 . 1 1 64 64 LEU CB C 13 47.0 0.2 . 1 . . . . 64 LEU CB . 16186 1
833 . 1 1 64 64 LEU CD1 C 13 27.4 0.02 . 2 . . . . 64 LEU CD1 . 16186 1
834 . 1 1 64 64 LEU CD2 C 13 24.8 0.02 . 2 . . . . 64 LEU CD2 . 16186 1
835 . 1 1 64 64 LEU CG C 13 26.8 0.2 . 1 . . . . 64 LEU CG . 16186 1
836 . 1 1 65 65 LYS H H 1 8.47 0.02 . 1 . . . . 65 LYS H . 16186 1
837 . 1 1 65 65 LYS HA H 1 3.76 0.02 . 1 . . . . 65 LYS HA . 16186 1
838 . 1 1 65 65 LYS HB2 H 1 1.23 0.02 . 2 . . . . 65 LYS HB2 . 16186 1
839 . 1 1 65 65 LYS HB3 H 1 1.23 0.02 . 2 . . . . 65 LYS HB3 . 16186 1
840 . 1 1 65 65 LYS HD2 H 1 1.17 0.02 . 2 . . . . 65 LYS HD2 . 16186 1
841 . 1 1 65 65 LYS HD3 H 1 1.07 0.02 . 2 . . . . 65 LYS HD3 . 16186 1
842 . 1 1 65 65 LYS HE2 H 1 2.86 0.02 . 2 . . . . 65 LYS HE2 . 16186 1
843 . 1 1 65 65 LYS HE3 H 1 2.75 0.02 . 2 . . . . 65 LYS HE3 . 16186 1
844 . 1 1 65 65 LYS HG2 H 1 0.93 0.02 . 2 . . . . 65 LYS HG2 . 16186 1
845 . 1 1 65 65 LYS HG3 H 1 0.25 0.02 . 2 . . . . 65 LYS HG3 . 16186 1
846 . 1 1 65 65 LYS C C 13 175.1 0.2 . 1 . . . . 65 LYS C . 16186 1
847 . 1 1 65 65 LYS CA C 13 55.7 0.2 . 1 . . . . 65 LYS CA . 16186 1
848 . 1 1 65 65 LYS CB C 13 33.6 0.2 . 1 . . . . 65 LYS CB . 16186 1
849 . 1 1 65 65 LYS CD C 13 30.6 0.2 . 1 . . . . 65 LYS CD . 16186 1
850 . 1 1 65 65 LYS CE C 13 42.4 0.2 . 1 . . . . 65 LYS CE . 16186 1
851 . 1 1 65 65 LYS CG C 13 26.3 0.2 . 1 . . . . 65 LYS CG . 16186 1
852 . 1 1 65 65 LYS N N 15 126.7 0.2 . 1 . . . . 65 LYS N . 16186 1
853 . 1 1 66 66 VAL H H 1 7.84 0.02 . 1 . . . . 66 VAL H . 16186 1
854 . 1 1 66 66 VAL HA H 1 4.41 0.02 . 1 . . . . 66 VAL HA . 16186 1
855 . 1 1 66 66 VAL HB H 1 1.74 0.02 . 1 . . . . 66 VAL HB . 16186 1
856 . 1 1 66 66 VAL HG11 H 1 0.68 0.02 . 2 . . . . 66 VAL HG1 . 16186 1
857 . 1 1 66 66 VAL HG12 H 1 0.68 0.02 . 2 . . . . 66 VAL HG1 . 16186 1
858 . 1 1 66 66 VAL HG13 H 1 0.68 0.02 . 2 . . . . 66 VAL HG1 . 16186 1
859 . 1 1 66 66 VAL HG21 H 1 0.42 0.02 . 2 . . . . 66 VAL HG2 . 16186 1
860 . 1 1 66 66 VAL HG22 H 1 0.42 0.02 . 2 . . . . 66 VAL HG2 . 16186 1
861 . 1 1 66 66 VAL HG23 H 1 0.42 0.02 . 2 . . . . 66 VAL HG2 . 16186 1
862 . 1 1 66 66 VAL C C 13 175.3 0.2 . 1 . . . . 66 VAL C . 16186 1
863 . 1 1 66 66 VAL CA C 13 58.3 0.2 . 1 . . . . 66 VAL CA . 16186 1
864 . 1 1 66 66 VAL CB C 13 36.4 0.2 . 1 . . . . 66 VAL CB . 16186 1
865 . 1 1 66 66 VAL CG1 C 13 21.9 0.02 . 2 . . . . 66 VAL CG1 . 16186 1
866 . 1 1 66 66 VAL CG2 C 13 20.1 0.02 . 2 . . . . 66 VAL CG2 . 16186 1
867 . 1 1 66 66 VAL N N 15 116.0 0.2 . 1 . . . . 66 VAL N . 16186 1
868 . 1 1 67 67 GLN H H 1 8.62 0.02 . 1 . . . . 67 GLN H . 16186 1
869 . 1 1 67 67 GLN HA H 1 4.35 0.02 . 1 . . . . 67 GLN HA . 16186 1
870 . 1 1 67 67 GLN HB2 H 1 2.26 0.02 . 2 . . . . 67 GLN HB2 . 16186 1
871 . 1 1 67 67 GLN HB3 H 1 1.75 0.02 . 2 . . . . 67 GLN HB3 . 16186 1
872 . 1 1 67 67 GLN HE21 H 1 7.82 0.02 . 1 . . . . 67 GLN HE21 . 16186 1
873 . 1 1 67 67 GLN HE22 H 1 6.90 0.02 . 1 . . . . 67 GLN HE22 . 16186 1
874 . 1 1 67 67 GLN HG2 H 1 2.51 0.02 . 2 . . . . 67 GLN HG2 . 16186 1
875 . 1 1 67 67 GLN HG3 H 1 2.51 0.02 . 2 . . . . 67 GLN HG3 . 16186 1
876 . 1 1 67 67 GLN CA C 13 54.9 0.2 . 1 . . . . 67 GLN CA . 16186 1
877 . 1 1 67 67 GLN CB C 13 27.6 0.2 . 1 . . . . 67 GLN CB . 16186 1
878 . 1 1 67 67 GLN CD C 13 180.2 0.2 . 1 . . . . 67 GLN CD . 16186 1
879 . 1 1 67 67 GLN CG C 13 34.1 0.2 . 1 . . . . 67 GLN CG . 16186 1
880 . 1 1 67 67 GLN N N 15 123.0 0.2 . 1 . . . . 67 GLN N . 16186 1
881 . 1 1 67 67 GLN NE2 N 15 112.6 0.2 . 1 . . . . 67 GLN NE2 . 16186 1
882 . 1 1 68 68 PRO HA H 1 4.20 0.02 . 1 . . . . 68 PRO HA . 16186 1
883 . 1 1 68 68 PRO HB2 H 1 1.99 0.02 . 2 . . . . 68 PRO HB2 . 16186 1
884 . 1 1 68 68 PRO HB3 H 1 1.89 0.02 . 2 . . . . 68 PRO HB3 . 16186 1
885 . 1 1 68 68 PRO HD2 H 1 3.91 0.02 . 2 . . . . 68 PRO HD2 . 16186 1
886 . 1 1 68 68 PRO HD3 H 1 3.97 0.02 . 2 . . . . 68 PRO HD3 . 16186 1
887 . 1 1 68 68 PRO HG2 H 1 1.99 0.02 . 2 . . . . 68 PRO HG2 . 16186 1
888 . 1 1 68 68 PRO HG3 H 1 1.99 0.02 . 2 . . . . 68 PRO HG3 . 16186 1
889 . 1 1 68 68 PRO C C 13 179.4 0.2 . 1 . . . . 68 PRO C . 16186 1
890 . 1 1 68 68 PRO CA C 13 65.1 0.2 . 1 . . . . 68 PRO CA . 16186 1
891 . 1 1 68 68 PRO CB C 13 31.7 0.2 . 1 . . . . 68 PRO CB . 16186 1
892 . 1 1 68 68 PRO CD C 13 50.9 0.2 . 1 . . . . 68 PRO CD . 16186 1
893 . 1 1 68 68 PRO CG C 13 28.1 0.2 . 1 . . . . 68 PRO CG . 16186 1
894 . 1 1 69 69 GLU H H 1 9.62 0.02 . 1 . . . . 69 GLU H . 16186 1
895 . 1 1 69 69 GLU HA H 1 4.19 0.02 . 1 . . . . 69 GLU HA . 16186 1
896 . 1 1 69 69 GLU HB2 H 1 2.04 0.02 . 2 . . . . 69 GLU HB2 . 16186 1
897 . 1 1 69 69 GLU HB3 H 1 2.00 0.02 . 2 . . . . 69 GLU HB3 . 16186 1
898 . 1 1 69 69 GLU HG2 H 1 2.33 0.02 . 2 . . . . 69 GLU HG2 . 16186 1
899 . 1 1 69 69 GLU HG3 H 1 2.26 0.02 . 2 . . . . 69 GLU HG3 . 16186 1
900 . 1 1 69 69 GLU C C 13 177.1 0.2 . 1 . . . . 69 GLU C . 16186 1
901 . 1 1 69 69 GLU CA C 13 58.6 0.2 . 1 . . . . 69 GLU CA . 16186 1
902 . 1 1 69 69 GLU CB C 13 28.1 0.2 . 1 . . . . 69 GLU CB . 16186 1
903 . 1 1 69 69 GLU CG C 13 35.9 0.2 . 1 . . . . 69 GLU CG . 16186 1
904 . 1 1 69 69 GLU N N 15 116.9 0.2 . 1 . . . . 69 GLU N . 16186 1
905 . 1 1 70 70 LEU H H 1 7.94 0.02 . 1 . . . . 70 LEU H . 16186 1
906 . 1 1 70 70 LEU HA H 1 4.46 0.02 . 1 . . . . 70 LEU HA . 16186 1
907 . 1 1 70 70 LEU HB2 H 1 1.71 0.02 . 2 . . . . 70 LEU HB2 . 16186 1
908 . 1 1 70 70 LEU HB3 H 1 1.54 0.02 . 2 . . . . 70 LEU HB3 . 16186 1
909 . 1 1 70 70 LEU HD11 H 1 0.90 0.02 . 2 . . . . 70 LEU HD1 . 16186 1
910 . 1 1 70 70 LEU HD12 H 1 0.90 0.02 . 2 . . . . 70 LEU HD1 . 16186 1
911 . 1 1 70 70 LEU HD13 H 1 0.90 0.02 . 2 . . . . 70 LEU HD1 . 16186 1
912 . 1 1 70 70 LEU HD21 H 1 0.78 0.02 . 2 . . . . 70 LEU HD2 . 16186 1
913 . 1 1 70 70 LEU HD22 H 1 0.78 0.02 . 2 . . . . 70 LEU HD2 . 16186 1
914 . 1 1 70 70 LEU HD23 H 1 0.78 0.02 . 2 . . . . 70 LEU HD2 . 16186 1
915 . 1 1 70 70 LEU HG H 1 1.46 0.02 . 1 . . . . 70 LEU HG . 16186 1
916 . 1 1 70 70 LEU C C 13 177.6 0.2 . 1 . . . . 70 LEU C . 16186 1
917 . 1 1 70 70 LEU CA C 13 54.5 0.2 . 1 . . . . 70 LEU CA . 16186 1
918 . 1 1 70 70 LEU CB C 13 42.8 0.2 . 1 . . . . 70 LEU CB . 16186 1
919 . 1 1 70 70 LEU CD1 C 13 25.2 0.02 . 2 . . . . 70 LEU CD1 . 16186 1
920 . 1 1 70 70 LEU CD2 C 13 22.5 0.02 . 2 . . . . 70 LEU CD2 . 16186 1
921 . 1 1 70 70 LEU CG C 13 27.3 0.2 . 1 . . . . 70 LEU CG . 16186 1
922 . 1 1 70 70 LEU N N 15 118.7 0.2 . 1 . . . . 70 LEU N . 16186 1
923 . 1 1 71 71 VAL H H 1 7.08 0.02 . 1 . . . . 71 VAL H . 16186 1
924 . 1 1 71 71 VAL HA H 1 3.21 0.02 . 1 . . . . 71 VAL HA . 16186 1
925 . 1 1 71 71 VAL HB H 1 1.88 0.02 . 1 . . . . 71 VAL HB . 16186 1
926 . 1 1 71 71 VAL HG11 H 1 0.75 0.02 . 2 . . . . 71 VAL HG1 . 16186 1
927 . 1 1 71 71 VAL HG12 H 1 0.75 0.02 . 2 . . . . 71 VAL HG1 . 16186 1
928 . 1 1 71 71 VAL HG13 H 1 0.75 0.02 . 2 . . . . 71 VAL HG1 . 16186 1
929 . 1 1 71 71 VAL HG21 H 1 0.88 0.02 . 2 . . . . 71 VAL HG2 . 16186 1
930 . 1 1 71 71 VAL HG22 H 1 0.88 0.02 . 2 . . . . 71 VAL HG2 . 16186 1
931 . 1 1 71 71 VAL HG23 H 1 0.88 0.02 . 2 . . . . 71 VAL HG2 . 16186 1
932 . 1 1 71 71 VAL C C 13 176.8 0.2 . 1 . . . . 71 VAL C . 16186 1
933 . 1 1 71 71 VAL CA C 13 67.7 0.2 . 1 . . . . 71 VAL CA . 16186 1
934 . 1 1 71 71 VAL CB C 13 32.0 0.2 . 1 . . . . 71 VAL CB . 16186 1
935 . 1 1 71 71 VAL CG1 C 13 23.4 0.02 . 2 . . . . 71 VAL CG1 . 16186 1
936 . 1 1 71 71 VAL CG2 C 13 21.3 0.02 . 2 . . . . 71 VAL CG2 . 16186 1
937 . 1 1 71 71 VAL N N 15 120.3 0.2 . 1 . . . . 71 VAL N . 16186 1
938 . 1 1 72 72 GLY H H 1 8.54 0.02 . 1 . . . . 72 GLY H . 16186 1
939 . 1 1 72 72 GLY HA2 H 1 3.77 0.02 . 2 . . . . 72 GLY HA2 . 16186 1
940 . 1 1 72 72 GLY HA3 H 1 3.63 0.02 . 2 . . . . 72 GLY HA3 . 16186 1
941 . 1 1 72 72 GLY C C 13 176.3 0.2 . 1 . . . . 72 GLY C . 16186 1
942 . 1 1 72 72 GLY CA C 13 47.0 0.2 . 1 . . . . 72 GLY CA . 16186 1
943 . 1 1 72 72 GLY N N 15 105.3 0.2 . 1 . . . . 72 GLY N . 16186 1
944 . 1 1 73 73 SER H H 1 7.87 0.02 . 1 . . . . 73 SER H . 16186 1
945 . 1 1 73 73 SER HA H 1 4.17 0.02 . 1 . . . . 73 SER HA . 16186 1
946 . 1 1 73 73 SER HB2 H 1 3.84 0.02 . 2 . . . . 73 SER HB2 . 16186 1
947 . 1 1 73 73 SER HB3 H 1 3.84 0.02 . 2 . . . . 73 SER HB3 . 16186 1
948 . 1 1 73 73 SER C C 13 178.0 0.2 . 1 . . . . 73 SER C . 16186 1
949 . 1 1 73 73 SER CA C 13 60.6 0.2 . 1 . . . . 73 SER CA . 16186 1
950 . 1 1 73 73 SER CB C 13 62.7 0.2 . 1 . . . . 73 SER CB . 16186 1
951 . 1 1 73 73 SER N N 15 115.7 0.2 . 1 . . . . 73 SER N . 16186 1
952 . 1 1 74 74 LEU H H 1 8.34 0.02 . 1 . . . . 74 LEU H . 16186 1
953 . 1 1 74 74 LEU HA H 1 4.00 0.02 . 1 . . . . 74 LEU HA . 16186 1
954 . 1 1 74 74 LEU HB2 H 1 1.81 0.02 . 2 . . . . 74 LEU HB2 . 16186 1
955 . 1 1 74 74 LEU HB3 H 1 1.32 0.02 . 2 . . . . 74 LEU HB3 . 16186 1
956 . 1 1 74 74 LEU HD11 H 1 0.78 0.02 . 2 . . . . 74 LEU HD1 . 16186 1
957 . 1 1 74 74 LEU HD12 H 1 0.78 0.02 . 2 . . . . 74 LEU HD1 . 16186 1
958 . 1 1 74 74 LEU HD13 H 1 0.78 0.02 . 2 . . . . 74 LEU HD1 . 16186 1
959 . 1 1 74 74 LEU HD21 H 1 0.79 0.02 . 2 . . . . 74 LEU HD2 . 16186 1
960 . 1 1 74 74 LEU HD22 H 1 0.79 0.02 . 2 . . . . 74 LEU HD2 . 16186 1
961 . 1 1 74 74 LEU HD23 H 1 0.79 0.02 . 2 . . . . 74 LEU HD2 . 16186 1
962 . 1 1 74 74 LEU HG H 1 1.77 0.02 . 1 . . . . 74 LEU HG . 16186 1
963 . 1 1 74 74 LEU C C 13 178.4 0.2 . 1 . . . . 74 LEU C . 16186 1
964 . 1 1 74 74 LEU CA C 13 57.9 0.2 . 1 . . . . 74 LEU CA . 16186 1
965 . 1 1 74 74 LEU CB C 13 41.7 0.2 . 1 . . . . 74 LEU CB . 16186 1
966 . 1 1 74 74 LEU CD1 C 13 26.8 0.02 . 2 . . . . 74 LEU CD1 . 16186 1
967 . 1 1 74 74 LEU CD2 C 13 22.8 0.02 . 2 . . . . 74 LEU CD2 . 16186 1
968 . 1 1 74 74 LEU CG C 13 27.0 0.2 . 1 . . . . 74 LEU CG . 16186 1
969 . 1 1 74 74 LEU N N 15 124.6 0.2 . 1 . . . . 74 LEU N . 16186 1
970 . 1 1 75 75 ARG H H 1 7.85 0.02 . 1 . . . . 75 ARG H . 16186 1
971 . 1 1 75 75 ARG HA H 1 3.75 0.02 . 1 . . . . 75 ARG HA . 16186 1
972 . 1 1 75 75 ARG HB2 H 1 1.89 0.02 . 2 . . . . 75 ARG HB2 . 16186 1
973 . 1 1 75 75 ARG HB3 H 1 1.83 0.02 . 2 . . . . 75 ARG HB3 . 16186 1
974 . 1 1 75 75 ARG HD2 H 1 3.11 0.02 . 2 . . . . 75 ARG HD2 . 16186 1
975 . 1 1 75 75 ARG HD3 H 1 3.11 0.02 . 2 . . . . 75 ARG HD3 . 16186 1
976 . 1 1 75 75 ARG HE H 1 7.25 0.02 . 1 . . . . 75 ARG HE . 16186 1
977 . 1 1 75 75 ARG HG2 H 1 1.42 0.02 . 2 . . . . 75 ARG HG2 . 16186 1
978 . 1 1 75 75 ARG HG3 H 1 1.81 0.02 . 2 . . . . 75 ARG HG3 . 16186 1
979 . 1 1 75 75 ARG C C 13 176.5 0.2 . 1 . . . . 75 ARG C . 16186 1
980 . 1 1 75 75 ARG CA C 13 57.8 0.2 . 1 . . . . 75 ARG CA . 16186 1
981 . 1 1 75 75 ARG CB C 13 29.5 0.2 . 1 . . . . 75 ARG CB . 16186 1
982 . 1 1 75 75 ARG CD C 13 43.5 0.2 . 1 . . . . 75 ARG CD . 16186 1
983 . 1 1 75 75 ARG CG C 13 27.9 0.2 . 1 . . . . 75 ARG CG . 16186 1
984 . 1 1 75 75 ARG CZ C 13 159.7 0.2 . 1 . . . . 75 ARG CZ . 16186 1
985 . 1 1 75 75 ARG N N 15 113.3 0.2 . 1 . . . . 75 ARG N . 16186 1
986 . 1 1 75 75 ARG NE N 15 82.9 0.2 . 1 . . . . 75 ARG NE . 16186 1
987 . 1 1 76 76 LYS H H 1 7.10 0.02 . 1 . . . . 76 LYS H . 16186 1
988 . 1 1 76 76 LYS HA H 1 4.21 0.02 . 1 . . . . 76 LYS HA . 16186 1
989 . 1 1 76 76 LYS HB2 H 1 1.98 0.02 . 2 . . . . 76 LYS HB2 . 16186 1
990 . 1 1 76 76 LYS HB3 H 1 1.75 0.02 . 2 . . . . 76 LYS HB3 . 16186 1
991 . 1 1 76 76 LYS HD2 H 1 1.64 0.02 . 2 . . . . 76 LYS HD2 . 16186 1
992 . 1 1 76 76 LYS HD3 H 1 1.64 0.02 . 2 . . . . 76 LYS HD3 . 16186 1
993 . 1 1 76 76 LYS HE2 H 1 2.91 0.02 . 2 . . . . 76 LYS HE2 . 16186 1
994 . 1 1 76 76 LYS HE3 H 1 2.91 0.02 . 2 . . . . 76 LYS HE3 . 16186 1
995 . 1 1 76 76 LYS HG2 H 1 1.41 0.02 . 2 . . . . 76 LYS HG2 . 16186 1
996 . 1 1 76 76 LYS HG3 H 1 1.61 0.02 . 2 . . . . 76 LYS HG3 . 16186 1
997 . 1 1 76 76 LYS C C 13 177.0 0.2 . 1 . . . . 76 LYS C . 16186 1
998 . 1 1 76 76 LYS CA C 13 56.5 0.2 . 1 . . . . 76 LYS CA . 16186 1
999 . 1 1 76 76 LYS CB C 13 32.7 0.2 . 1 . . . . 76 LYS CB . 16186 1
1000 . 1 1 76 76 LYS CD C 13 29.2 0.2 . 1 . . . . 76 LYS CD . 16186 1
1001 . 1 1 76 76 LYS CE C 13 42.0 0.2 . 1 . . . . 76 LYS CE . 16186 1
1002 . 1 1 76 76 LYS CG C 13 25.2 0.2 . 1 . . . . 76 LYS CG . 16186 1
1003 . 1 1 76 76 LYS N N 15 116.6 0.2 . 1 . . . . 76 LYS N . 16186 1
1004 . 1 1 77 77 LYS H H 1 7.83 0.02 . 1 . . . . 77 LYS H . 16186 1
1005 . 1 1 77 77 LYS HA H 1 4.47 0.02 . 1 . . . . 77 LYS HA . 16186 1
1006 . 1 1 77 77 LYS HB2 H 1 1.72 0.02 . 2 . . . . 77 LYS HB2 . 16186 1
1007 . 1 1 77 77 LYS HB3 H 1 1.72 0.02 . 2 . . . . 77 LYS HB3 . 16186 1
1008 . 1 1 77 77 LYS HD2 H 1 1.46 0.02 . 2 . . . . 77 LYS HD2 . 16186 1
1009 . 1 1 77 77 LYS HD3 H 1 1.46 0.02 . 2 . . . . 77 LYS HD3 . 16186 1
1010 . 1 1 77 77 LYS HE2 H 1 3.09 0.02 . 2 . . . . 77 LYS HE2 . 16186 1
1011 . 1 1 77 77 LYS HE3 H 1 3.09 0.02 . 2 . . . . 77 LYS HE3 . 16186 1
1012 . 1 1 77 77 LYS HG2 H 1 1.57 0.02 . 2 . . . . 77 LYS HG2 . 16186 1
1013 . 1 1 77 77 LYS HG3 H 1 1.40 0.02 . 2 . . . . 77 LYS HG3 . 16186 1
1014 . 1 1 77 77 LYS CA C 13 54.5 0.2 . 1 . . . . 77 LYS CA . 16186 1
1015 . 1 1 77 77 LYS CB C 13 31.8 0.2 . 1 . . . . 77 LYS CB . 16186 1
1016 . 1 1 77 77 LYS CD C 13 27.3 0.2 . 1 . . . . 77 LYS CD . 16186 1
1017 . 1 1 77 77 LYS CE C 13 42.5 0.2 . 1 . . . . 77 LYS CE . 16186 1
1018 . 1 1 77 77 LYS CG C 13 25.0 0.2 . 1 . . . . 77 LYS CG . 16186 1
1019 . 1 1 77 77 LYS N N 15 122.9 0.2 . 1 . . . . 77 LYS N . 16186 1
1020 . 1 1 78 78 PRO HA H 1 4.19 0.02 . 1 . . . . 78 PRO HA . 16186 1
1021 . 1 1 78 78 PRO HB2 H 1 2.26 0.02 . 2 . . . . 78 PRO HB2 . 16186 1
1022 . 1 1 78 78 PRO HB3 H 1 1.71 0.02 . 2 . . . . 78 PRO HB3 . 16186 1
1023 . 1 1 78 78 PRO HD2 H 1 3.93 0.02 . 2 . . . . 78 PRO HD2 . 16186 1
1024 . 1 1 78 78 PRO HD3 H 1 3.93 0.02 . 2 . . . . 78 PRO HD3 . 16186 1
1025 . 1 1 78 78 PRO HG2 H 1 2.06 0.02 . 2 . . . . 78 PRO HG2 . 16186 1
1026 . 1 1 78 78 PRO HG3 H 1 2.06 0.02 . 2 . . . . 78 PRO HG3 . 16186 1
1027 . 1 1 78 78 PRO C C 13 176.6 0.2 . 1 . . . . 78 PRO C . 16186 1
1028 . 1 1 78 78 PRO CA C 13 63.7 0.2 . 1 . . . . 78 PRO CA . 16186 1
1029 . 1 1 78 78 PRO CB C 13 31.9 0.2 . 1 . . . . 78 PRO CB . 16186 1
1030 . 1 1 78 78 PRO CD C 13 51.0 0.2 . 1 . . . . 78 PRO CD . 16186 1
1031 . 1 1 78 78 PRO CG C 13 28.1 0.2 . 1 . . . . 78 PRO CG . 16186 1
1032 . 1 1 79 79 GLY H H 1 8.29 0.02 . 1 . . . . 79 GLY H . 16186 1
1033 . 1 1 79 79 GLY HA2 H 1 4.35 0.02 . 2 . . . . 79 GLY HA2 . 16186 1
1034 . 1 1 79 79 GLY HA3 H 1 3.59 0.02 . 2 . . . . 79 GLY HA3 . 16186 1
1035 . 1 1 79 79 GLY C C 13 172.0 0.2 . 1 . . . . 79 GLY C . 16186 1
1036 . 1 1 79 79 GLY CA C 13 45.5 0.2 . 1 . . . . 79 GLY CA . 16186 1
1037 . 1 1 79 79 GLY N N 15 109.3 0.2 . 1 . . . . 79 GLY N . 16186 1
1038 . 1 1 80 80 ILE H H 1 7.30 0.02 . 1 . . . . 80 ILE H . 16186 1
1039 . 1 1 80 80 ILE HA H 1 4.77 0.02 . 1 . . . . 80 ILE HA . 16186 1
1040 . 1 1 80 80 ILE HB H 1 2.03 0.02 . 1 . . . . 80 ILE HB . 16186 1
1041 . 1 1 80 80 ILE HD11 H 1 0.76 0.02 . 1 . . . . 80 ILE HD1 . 16186 1
1042 . 1 1 80 80 ILE HD12 H 1 0.76 0.02 . 1 . . . . 80 ILE HD1 . 16186 1
1043 . 1 1 80 80 ILE HD13 H 1 0.76 0.02 . 1 . . . . 80 ILE HD1 . 16186 1
1044 . 1 1 80 80 ILE HG12 H 1 1.49 0.02 . 2 . . . . 80 ILE HG12 . 16186 1
1045 . 1 1 80 80 ILE HG13 H 1 1.49 0.02 . 2 . . . . 80 ILE HG13 . 16186 1
1046 . 1 1 80 80 ILE HG21 H 1 0.68 0.02 . 1 . . . . 80 ILE HG2 . 16186 1
1047 . 1 1 80 80 ILE HG22 H 1 0.68 0.02 . 1 . . . . 80 ILE HG2 . 16186 1
1048 . 1 1 80 80 ILE HG23 H 1 0.68 0.02 . 1 . . . . 80 ILE HG2 . 16186 1
1049 . 1 1 80 80 ILE C C 13 174.2 0.2 . 1 . . . . 80 ILE C . 16186 1
1050 . 1 1 80 80 ILE CA C 13 60.5 0.2 . 1 . . . . 80 ILE CA . 16186 1
1051 . 1 1 80 80 ILE CB C 13 37.0 0.2 . 1 . . . . 80 ILE CB . 16186 1
1052 . 1 1 80 80 ILE CD1 C 13 13.2 0.2 . 1 . . . . 80 ILE CD1 . 16186 1
1053 . 1 1 80 80 ILE CG1 C 13 27.9 0.2 . 1 . . . . 80 ILE CG1 . 16186 1
1054 . 1 1 80 80 ILE CG2 C 13 18.8 0.2 . 1 . . . . 80 ILE CG2 . 16186 1
1055 . 1 1 80 80 ILE N N 15 119.2 0.2 . 1 . . . . 80 ILE N . 16186 1
1056 . 1 1 81 81 TYR H H 1 9.49 0.02 . 1 . . . . 81 TYR H . 16186 1
1057 . 1 1 81 81 TYR HA H 1 4.84 0.02 . 1 . . . . 81 TYR HA . 16186 1
1058 . 1 1 81 81 TYR HB2 H 1 3.19 0.02 . 2 . . . . 81 TYR HB2 . 16186 1
1059 . 1 1 81 81 TYR HB3 H 1 2.26 0.02 . 2 . . . . 81 TYR HB3 . 16186 1
1060 . 1 1 81 81 TYR HD1 H 1 7.05 0.02 . 3 . . . . 81 TYR HD1 . 16186 1
1061 . 1 1 81 81 TYR HD2 H 1 7.05 0.02 . 3 . . . . 81 TYR HD2 . 16186 1
1062 . 1 1 81 81 TYR HE1 H 1 6.67 0.02 . 3 . . . . 81 TYR HE1 . 16186 1
1063 . 1 1 81 81 TYR HE2 H 1 6.67 0.02 . 3 . . . . 81 TYR HE2 . 16186 1
1064 . 1 1 81 81 TYR CA C 13 56.8 0.2 . 1 . . . . 81 TYR CA . 16186 1
1065 . 1 1 81 81 TYR CB C 13 39.8 0.2 . 1 . . . . 81 TYR CB . 16186 1
1066 . 1 1 81 81 TYR CD1 C 13 133.2 0.02 . 3 . . . . 81 TYR CD1 . 16186 1
1067 . 1 1 81 81 TYR CD2 C 13 133.2 0.02 . 3 . . . . 81 TYR CD2 . 16186 1
1068 . 1 1 81 81 TYR CE1 C 13 118.0 0.02 . 3 . . . . 81 TYR CE1 . 16186 1
1069 . 1 1 81 81 TYR CE2 C 13 118.0 0.02 . 3 . . . . 81 TYR CE2 . 16186 1
1070 . 1 1 81 81 TYR N N 15 126.1 0.2 . 1 . . . . 81 TYR N . 16186 1
1071 . 1 1 82 82 PRO HA H 1 4.61 0.02 . 1 . . . . 82 PRO HA . 16186 1
1072 . 1 1 82 82 PRO HB2 H 1 2.31 0.02 . 2 . . . . 82 PRO HB2 . 16186 1
1073 . 1 1 82 82 PRO HB3 H 1 1.92 0.02 . 2 . . . . 82 PRO HB3 . 16186 1
1074 . 1 1 82 82 PRO HD2 H 1 3.98 0.02 . 2 . . . . 82 PRO HD2 . 16186 1
1075 . 1 1 82 82 PRO HD3 H 1 3.90 0.02 . 2 . . . . 82 PRO HD3 . 16186 1
1076 . 1 1 82 82 PRO HG2 H 1 1.97 0.02 . 2 . . . . 82 PRO HG2 . 16186 1
1077 . 1 1 82 82 PRO HG3 H 1 2.25 0.02 . 2 . . . . 82 PRO HG3 . 16186 1
1078 . 1 1 82 82 PRO CA C 13 62.3 0.2 . 1 . . . . 82 PRO CA . 16186 1
1079 . 1 1 82 82 PRO CB C 13 32.0 0.2 . 1 . . . . 82 PRO CB . 16186 1
1080 . 1 1 82 82 PRO CD C 13 51.1 0.2 . 1 . . . . 82 PRO CD . 16186 1
1081 . 1 1 82 82 PRO CG C 13 28.3 0.2 . 1 . . . . 82 PRO CG . 16186 1
1082 . 1 1 83 83 ALA HA H 1 4.14 0.02 . 1 . . . . 83 ALA HA . 16186 1
1083 . 1 1 83 83 ALA HB1 H 1 1.32 0.02 . 1 . . . . 83 ALA HB . 16186 1
1084 . 1 1 83 83 ALA HB2 H 1 1.32 0.02 . 1 . . . . 83 ALA HB . 16186 1
1085 . 1 1 83 83 ALA HB3 H 1 1.32 0.02 . 1 . . . . 83 ALA HB . 16186 1
1086 . 1 1 84 84 TYR HA H 1 4.47 0.02 . 1 . . . . 84 TYR HA . 16186 1
1087 . 1 1 84 84 TYR HB2 H 1 2.65 0.02 . 2 . . . . 84 TYR HB2 . 16186 1
1088 . 1 1 84 84 TYR HB3 H 1 2.47 0.02 . 2 . . . . 84 TYR HB3 . 16186 1
1089 . 1 1 84 84 TYR HD1 H 1 6.84 0.02 . 3 . . . . 84 TYR HD1 . 16186 1
1090 . 1 1 84 84 TYR HD2 H 1 6.84 0.02 . 3 . . . . 84 TYR HD2 . 16186 1
1091 . 1 1 84 84 TYR HE1 H 1 6.51 0.02 . 3 . . . . 84 TYR HE1 . 16186 1
1092 . 1 1 84 84 TYR HE2 H 1 6.51 0.02 . 3 . . . . 84 TYR HE2 . 16186 1
1093 . 1 1 84 84 TYR CA C 13 57.5 0.2 . 1 . . . . 84 TYR CA . 16186 1
1094 . 1 1 84 84 TYR CB C 13 39.5 0.2 . 1 . . . . 84 TYR CB . 16186 1
1095 . 1 1 84 84 TYR CD1 C 13 133.1 0.02 . 3 . . . . 84 TYR CD1 . 16186 1
1096 . 1 1 84 84 TYR CD2 C 13 133.1 0.02 . 3 . . . . 84 TYR CD2 . 16186 1
1097 . 1 1 84 84 TYR CE1 C 13 117.9 0.02 . 3 . . . . 84 TYR CE1 . 16186 1
1098 . 1 1 84 84 TYR CE2 C 13 117.9 0.02 . 3 . . . . 84 TYR CE2 . 16186 1
1099 . 1 1 87 87 ASN HA H 1 4.41 0.02 . 1 . . . . 87 ASN HA . 16186 1
1100 . 1 1 87 87 ASN HB2 H 1 3.01 0.02 . 2 . . . . 87 ASN HB2 . 16186 1
1101 . 1 1 87 87 ASN HB3 H 1 2.86 0.02 . 2 . . . . 87 ASN HB3 . 16186 1
1102 . 1 1 87 87 ASN HD21 H 1 7.89 0.02 . 1 . . . . 87 ASN HD21 . 16186 1
1103 . 1 1 87 87 ASN HD22 H 1 7.52 0.02 . 1 . . . . 87 ASN HD22 . 16186 1
1104 . 1 1 87 87 ASN C C 13 176.5 0.2 . 1 . . . . 87 ASN C . 16186 1
1105 . 1 1 87 87 ASN CA C 13 55.1 0.2 . 1 . . . . 87 ASN CA . 16186 1
1106 . 1 1 87 87 ASN CB C 13 40.6 0.2 . 1 . . . . 87 ASN CB . 16186 1
1107 . 1 1 87 87 ASN CG C 13 176.7 0.2 . 1 . . . . 87 ASN CG . 16186 1
1108 . 1 1 87 87 ASN ND2 N 15 115.7 0.2 . 1 . . . . 87 ASN ND2 . 16186 1
1109 . 1 1 88 88 LYS H H 1 8.71 0.02 . 1 . . . . 88 LYS H . 16186 1
1110 . 1 1 88 88 LYS HA H 1 4.32 0.02 . 1 . . . . 88 LYS HA . 16186 1
1111 . 1 1 88 88 LYS HB2 H 1 2.00 0.02 . 2 . . . . 88 LYS HB2 . 16186 1
1112 . 1 1 88 88 LYS HB3 H 1 1.91 0.02 . 2 . . . . 88 LYS HB3 . 16186 1
1113 . 1 1 88 88 LYS HD2 H 1 1.62 0.02 . 2 . . . . 88 LYS HD2 . 16186 1
1114 . 1 1 88 88 LYS HD3 H 1 1.65 0.02 . 2 . . . . 88 LYS HD3 . 16186 1
1115 . 1 1 88 88 LYS HE2 H 1 3.07 0.02 . 2 . . . . 88 LYS HE2 . 16186 1
1116 . 1 1 88 88 LYS HE3 H 1 3.07 0.02 . 2 . . . . 88 LYS HE3 . 16186 1
1117 . 1 1 88 88 LYS HG2 H 1 1.63 0.02 . 2 . . . . 88 LYS HG2 . 16186 1
1118 . 1 1 88 88 LYS HG3 H 1 1.40 0.02 . 2 . . . . 88 LYS HG3 . 16186 1
1119 . 1 1 88 88 LYS C C 13 177.6 0.2 . 1 . . . . 88 LYS C . 16186 1
1120 . 1 1 88 88 LYS CA C 13 58.1 0.2 . 1 . . . . 88 LYS CA . 16186 1
1121 . 1 1 88 88 LYS CB C 13 33.0 0.2 . 1 . . . . 88 LYS CB . 16186 1
1122 . 1 1 88 88 LYS CD C 13 29.2 0.2 . 1 . . . . 88 LYS CD . 16186 1
1123 . 1 1 88 88 LYS CE C 13 42.4 0.2 . 1 . . . . 88 LYS CE . 16186 1
1124 . 1 1 88 88 LYS CG C 13 25.6 0.2 . 1 . . . . 88 LYS CG . 16186 1
1125 . 1 1 88 88 LYS N N 15 123.8 0.2 . 1 . . . . 88 LYS N . 16186 1
1126 . 1 1 89 89 GLU H H 1 8.39 0.02 . 1 . . . . 89 GLU H . 16186 1
1127 . 1 1 89 89 GLU HA H 1 4.27 0.02 . 1 . . . . 89 GLU HA . 16186 1
1128 . 1 1 89 89 GLU HB2 H 1 2.10 0.02 . 2 . . . . 89 GLU HB2 . 16186 1
1129 . 1 1 89 89 GLU HB3 H 1 2.10 0.02 . 2 . . . . 89 GLU HB3 . 16186 1
1130 . 1 1 89 89 GLU HG2 H 1 2.24 0.02 . 2 . . . . 89 GLU HG2 . 16186 1
1131 . 1 1 89 89 GLU HG3 H 1 2.24 0.02 . 2 . . . . 89 GLU HG3 . 16186 1
1132 . 1 1 89 89 GLU C C 13 176.5 0.2 . 1 . . . . 89 GLU C . 16186 1
1133 . 1 1 89 89 GLU CA C 13 57.8 0.2 . 1 . . . . 89 GLU CA . 16186 1
1134 . 1 1 89 89 GLU CB C 13 30.1 0.2 . 1 . . . . 89 GLU CB . 16186 1
1135 . 1 1 89 89 GLU CG C 13 37.4 0.2 . 1 . . . . 89 GLU CG . 16186 1
1136 . 1 1 89 89 GLU N N 15 117.0 0.2 . 1 . . . . 89 GLU N . 16186 1
1137 . 1 1 90 90 HIS H H 1 7.60 0.02 . 1 . . . . 90 HIS H . 16186 1
1138 . 1 1 90 90 HIS HA H 1 4.58 0.02 . 1 . . . . 90 HIS HA . 16186 1
1139 . 1 1 90 90 HIS HB2 H 1 3.34 0.02 . 2 . . . . 90 HIS HB2 . 16186 1
1140 . 1 1 90 90 HIS HB3 H 1 3.01 0.02 . 2 . . . . 90 HIS HB3 . 16186 1
1141 . 1 1 90 90 HIS HD1 H 1 7.35 0.02 . 1 . . . . 90 HIS HD1 . 16186 1
1142 . 1 1 90 90 HIS C C 13 170.8 0.2 . 1 . . . . 90 HIS C . 16186 1
1143 . 1 1 90 90 HIS CA C 13 55.5 0.2 . 1 . . . . 90 HIS CA . 16186 1
1144 . 1 1 90 90 HIS CB C 13 32.2 0.2 . 1 . . . . 90 HIS CB . 16186 1
1145 . 1 1 90 90 HIS N N 15 111.5 0.2 . 1 . . . . 90 HIS N . 16186 1
1146 . 1 1 91 91 TRP H H 1 7.65 0.02 . 1 . . . . 91 TRP H . 16186 1
1147 . 1 1 91 91 TRP HA H 1 5.61 0.02 . 1 . . . . 91 TRP HA . 16186 1
1148 . 1 1 91 91 TRP HB2 H 1 2.92 0.02 . 2 . . . . 91 TRP HB2 . 16186 1
1149 . 1 1 91 91 TRP HB3 H 1 2.88 0.02 . 2 . . . . 91 TRP HB3 . 16186 1
1150 . 1 1 91 91 TRP HD1 H 1 7.47 0.02 . 1 . . . . 91 TRP HD1 . 16186 1
1151 . 1 1 91 91 TRP HE1 H 1 10.31 0.02 . 1 . . . . 91 TRP HE1 . 16186 1
1152 . 1 1 91 91 TRP HE3 H 1 7.31 0.02 . 1 . . . . 91 TRP HE3 . 16186 1
1153 . 1 1 91 91 TRP HH2 H 1 6.97 0.02 . 1 . . . . 91 TRP HH2 . 16186 1
1154 . 1 1 91 91 TRP HZ2 H 1 7.48 0.02 . 1 . . . . 91 TRP HZ2 . 16186 1
1155 . 1 1 91 91 TRP HZ3 H 1 6.86 0.02 . 1 . . . . 91 TRP HZ3 . 16186 1
1156 . 1 1 91 91 TRP C C 13 174.6 0.2 . 1 . . . . 91 TRP C . 16186 1
1157 . 1 1 91 91 TRP CA C 13 55.5 0.2 . 1 . . . . 91 TRP CA . 16186 1
1158 . 1 1 91 91 TRP CB C 13 31.7 0.2 . 1 . . . . 91 TRP CB . 16186 1
1159 . 1 1 91 91 TRP CD1 C 13 127.0 0.2 . 1 . . . . 91 TRP CD1 . 16186 1
1160 . 1 1 91 91 TRP CH2 C 13 123.7 0.2 . 1 . . . . 91 TRP CH2 . 16186 1
1161 . 1 1 91 91 TRP CZ2 C 13 115.0 0.2 . 1 . . . . 91 TRP CZ2 . 16186 1
1162 . 1 1 91 91 TRP CZ3 C 13 120.9 0.2 . 1 . . . . 91 TRP CZ3 . 16186 1
1163 . 1 1 91 91 TRP N N 15 117.4 0.2 . 1 . . . . 91 TRP N . 16186 1
1164 . 1 1 91 91 TRP NE1 N 15 129.6 0.2 . 1 . . . . 91 TRP NE1 . 16186 1
1165 . 1 1 92 92 ILE H H 1 9.10 0.02 . 1 . . . . 92 ILE H . 16186 1
1166 . 1 1 92 92 ILE HA H 1 4.63 0.02 . 1 . . . . 92 ILE HA . 16186 1
1167 . 1 1 92 92 ILE HB H 1 1.95 0.02 . 1 . . . . 92 ILE HB . 16186 1
1168 . 1 1 92 92 ILE HD11 H 1 0.76 0.02 . 1 . . . . 92 ILE HD1 . 16186 1
1169 . 1 1 92 92 ILE HD12 H 1 0.76 0.02 . 1 . . . . 92 ILE HD1 . 16186 1
1170 . 1 1 92 92 ILE HD13 H 1 0.76 0.02 . 1 . . . . 92 ILE HD1 . 16186 1
1171 . 1 1 92 92 ILE HG12 H 1 1.17 0.02 . 2 . . . . 92 ILE HG12 . 16186 1
1172 . 1 1 92 92 ILE HG13 H 1 1.10 0.02 . 2 . . . . 92 ILE HG13 . 16186 1
1173 . 1 1 92 92 ILE HG21 H 1 0.82 0.02 . 1 . . . . 92 ILE HG2 . 16186 1
1174 . 1 1 92 92 ILE HG22 H 1 0.82 0.02 . 1 . . . . 92 ILE HG2 . 16186 1
1175 . 1 1 92 92 ILE HG23 H 1 0.82 0.02 . 1 . . . . 92 ILE HG2 . 16186 1
1176 . 1 1 92 92 ILE C C 13 174.5 0.2 . 1 . . . . 92 ILE C . 16186 1
1177 . 1 1 92 92 ILE CA C 13 59.8 0.2 . 1 . . . . 92 ILE CA . 16186 1
1178 . 1 1 92 92 ILE CB C 13 42.5 0.2 . 1 . . . . 92 ILE CB . 16186 1
1179 . 1 1 92 92 ILE CD1 C 13 14.8 0.2 . 1 . . . . 92 ILE CD1 . 16186 1
1180 . 1 1 92 92 ILE CG1 C 13 25.3 0.2 . 1 . . . . 92 ILE CG1 . 16186 1
1181 . 1 1 92 92 ILE CG2 C 13 19.3 0.2 . 1 . . . . 92 ILE CG2 . 16186 1
1182 . 1 1 92 92 ILE N N 15 111.7 0.2 . 1 . . . . 92 ILE N . 16186 1
1183 . 1 1 93 93 THR H H 1 8.57 0.02 . 1 . . . . 93 THR H . 16186 1
1184 . 1 1 93 93 THR HA H 1 4.25 0.02 . 1 . . . . 93 THR HA . 16186 1
1185 . 1 1 93 93 THR HB H 1 3.83 0.02 . 1 . . . . 93 THR HB . 16186 1
1186 . 1 1 93 93 THR HG1 H 1 4.80 0.02 . 1 . . . . 93 THR HG1 . 16186 1
1187 . 1 1 93 93 THR HG21 H 1 1.14 0.02 . 1 . . . . 93 THR HG2 . 16186 1
1188 . 1 1 93 93 THR HG22 H 1 1.14 0.02 . 1 . . . . 93 THR HG2 . 16186 1
1189 . 1 1 93 93 THR HG23 H 1 1.14 0.02 . 1 . . . . 93 THR HG2 . 16186 1
1190 . 1 1 93 93 THR CA C 13 61.8 0.2 . 1 . . . . 93 THR CA . 16186 1
1191 . 1 1 93 93 THR CB C 13 70.2 0.2 . 1 . . . . 93 THR CB . 16186 1
1192 . 1 1 93 93 THR CG2 C 13 21.6 0.2 . 1 . . . . 93 THR CG2 . 16186 1
1193 . 1 1 93 93 THR N N 15 117.6 0.2 . 1 . . . . 93 THR N . 16186 1
1194 . 1 1 94 94 VAL HA H 1 4.68 0.02 . 1 . . . . 94 VAL HA . 16186 1
1195 . 1 1 94 94 VAL HB H 1 2.01 0.02 . 1 . . . . 94 VAL HB . 16186 1
1196 . 1 1 94 94 VAL HG11 H 1 0.78 0.02 . 2 . . . . 94 VAL HG1 . 16186 1
1197 . 1 1 94 94 VAL HG12 H 1 0.78 0.02 . 2 . . . . 94 VAL HG1 . 16186 1
1198 . 1 1 94 94 VAL HG13 H 1 0.78 0.02 . 2 . . . . 94 VAL HG1 . 16186 1
1199 . 1 1 94 94 VAL HG21 H 1 0.87 0.02 . 2 . . . . 94 VAL HG2 . 16186 1
1200 . 1 1 94 94 VAL HG22 H 1 0.87 0.02 . 2 . . . . 94 VAL HG2 . 16186 1
1201 . 1 1 94 94 VAL HG23 H 1 0.87 0.02 . 2 . . . . 94 VAL HG2 . 16186 1
1202 . 1 1 94 94 VAL C C 13 175.4 0.2 . 1 . . . . 94 VAL C . 16186 1
1203 . 1 1 94 94 VAL CA C 13 60.7 0.2 . 1 . . . . 94 VAL CA . 16186 1
1204 . 1 1 94 94 VAL CB C 13 34.1 0.2 . 1 . . . . 94 VAL CB . 16186 1
1205 . 1 1 94 94 VAL CG1 C 13 21.5 0.02 . 2 . . . . 94 VAL CG1 . 16186 1
1206 . 1 1 94 94 VAL CG2 C 13 21.1 0.02 . 2 . . . . 94 VAL CG2 . 16186 1
1207 . 1 1 95 95 LEU H H 1 8.08 0.02 . 1 . . . . 95 LEU H . 16186 1
1208 . 1 1 95 95 LEU HA H 1 4.33 0.02 . 1 . . . . 95 LEU HA . 16186 1
1209 . 1 1 95 95 LEU HB2 H 1 2.04 0.02 . 2 . . . . 95 LEU HB2 . 16186 1
1210 . 1 1 95 95 LEU HB3 H 1 1.41 0.02 . 2 . . . . 95 LEU HB3 . 16186 1
1211 . 1 1 95 95 LEU HD11 H 1 0.84 0.02 . 2 . . . . 95 LEU HD1 . 16186 1
1212 . 1 1 95 95 LEU HD12 H 1 0.84 0.02 . 2 . . . . 95 LEU HD1 . 16186 1
1213 . 1 1 95 95 LEU HD13 H 1 0.84 0.02 . 2 . . . . 95 LEU HD1 . 16186 1
1214 . 1 1 95 95 LEU HD21 H 1 0.93 0.02 . 2 . . . . 95 LEU HD2 . 16186 1
1215 . 1 1 95 95 LEU HD22 H 1 0.93 0.02 . 2 . . . . 95 LEU HD2 . 16186 1
1216 . 1 1 95 95 LEU HD23 H 1 0.93 0.02 . 2 . . . . 95 LEU HD2 . 16186 1
1217 . 1 1 95 95 LEU HG H 1 1.56 0.02 . 1 . . . . 95 LEU HG . 16186 1
1218 . 1 1 95 95 LEU C C 13 176.4 0.2 . 1 . . . . 95 LEU C . 16186 1
1219 . 1 1 95 95 LEU CA C 13 55.0 0.2 . 1 . . . . 95 LEU CA . 16186 1
1220 . 1 1 95 95 LEU CB C 13 44.3 0.2 . 1 . . . . 95 LEU CB . 16186 1
1221 . 1 1 95 95 LEU CD1 C 13 24.2 0.02 . 2 . . . . 95 LEU CD1 . 16186 1
1222 . 1 1 95 95 LEU CD2 C 13 26.2 0.02 . 2 . . . . 95 LEU CD2 . 16186 1
1223 . 1 1 95 95 LEU CG C 13 26.8 0.2 . 1 . . . . 95 LEU CG . 16186 1
1224 . 1 1 95 95 LEU N N 15 127.5 0.2 . 1 . . . . 95 LEU N . 16186 1
1225 . 1 1 96 96 LEU H H 1 8.05 0.02 . 1 . . . . 96 LEU H . 16186 1
1226 . 1 1 96 96 LEU HA H 1 4.15 0.02 . 1 . . . . 96 LEU HA . 16186 1
1227 . 1 1 96 96 LEU HB2 H 1 1.49 0.02 . 2 . . . . 96 LEU HB2 . 16186 1
1228 . 1 1 96 96 LEU HB3 H 1 1.58 0.02 . 2 . . . . 96 LEU HB3 . 16186 1
1229 . 1 1 96 96 LEU HD11 H 1 0.49 0.02 . 2 . . . . 96 LEU HD1 . 16186 1
1230 . 1 1 96 96 LEU HD12 H 1 0.49 0.02 . 2 . . . . 96 LEU HD1 . 16186 1
1231 . 1 1 96 96 LEU HD13 H 1 0.49 0.02 . 2 . . . . 96 LEU HD1 . 16186 1
1232 . 1 1 96 96 LEU HD21 H 1 0.58 0.02 . 2 . . . . 96 LEU HD2 . 16186 1
1233 . 1 1 96 96 LEU HD22 H 1 0.58 0.02 . 2 . . . . 96 LEU HD2 . 16186 1
1234 . 1 1 96 96 LEU HD23 H 1 0.58 0.02 . 2 . . . . 96 LEU HD2 . 16186 1
1235 . 1 1 96 96 LEU HG H 1 1.36 0.02 . 1 . . . . 96 LEU HG . 16186 1
1236 . 1 1 96 96 LEU C C 13 177.4 0.2 . 1 . . . . 96 LEU C . 16186 1
1237 . 1 1 96 96 LEU CA C 13 56.5 0.2 . 1 . . . . 96 LEU CA . 16186 1
1238 . 1 1 96 96 LEU CB C 13 40.5 0.2 . 1 . . . . 96 LEU CB . 16186 1
1239 . 1 1 96 96 LEU CD1 C 13 25.4 0.02 . 2 . . . . 96 LEU CD1 . 16186 1
1240 . 1 1 96 96 LEU CD2 C 13 22.6 0.02 . 2 . . . . 96 LEU CD2 . 16186 1
1241 . 1 1 96 96 LEU CG C 13 27.0 0.2 . 1 . . . . 96 LEU CG . 16186 1
1242 . 1 1 96 96 LEU N N 15 128.1 0.2 . 1 . . . . 96 LEU N . 16186 1
1243 . 1 1 97 97 ASN H H 1 8.69 0.02 . 1 . . . . 97 ASN H . 16186 1
1244 . 1 1 97 97 ASN HA H 1 4.74 0.02 . 1 . . . . 97 ASN HA . 16186 1
1245 . 1 1 97 97 ASN HB2 H 1 2.94 0.02 . 2 . . . . 97 ASN HB2 . 16186 1
1246 . 1 1 97 97 ASN HB3 H 1 2.90 0.02 . 2 . . . . 97 ASN HB3 . 16186 1
1247 . 1 1 97 97 ASN HD21 H 1 7.68 0.02 . 1 . . . . 97 ASN HD21 . 16186 1
1248 . 1 1 97 97 ASN HD22 H 1 7.13 0.02 . 1 . . . . 97 ASN HD22 . 16186 1
1249 . 1 1 97 97 ASN C C 13 174.9 0.2 . 1 . . . . 97 ASN C . 16186 1
1250 . 1 1 97 97 ASN CA C 13 53.0 0.2 . 1 . . . . 97 ASN CA . 16186 1
1251 . 1 1 97 97 ASN CB C 13 37.7 0.2 . 1 . . . . 97 ASN CB . 16186 1
1252 . 1 1 97 97 ASN N N 15 117.2 0.2 . 1 . . . . 97 ASN N . 16186 1
1253 . 1 1 97 97 ASN ND2 N 15 113.6 0.2 . 1 . . . . 97 ASN ND2 . 16186 1
1254 . 1 1 98 98 GLY H H 1 7.82 0.02 . 1 . . . . 98 GLY H . 16186 1
1255 . 1 1 98 98 GLY HA2 H 1 4.47 0.02 . 2 . . . . 98 GLY HA2 . 16186 1
1256 . 1 1 98 98 GLY HA3 H 1 3.74 0.02 . 2 . . . . 98 GLY HA3 . 16186 1
1257 . 1 1 98 98 GLY C C 13 174.9 0.2 . 1 . . . . 98 GLY C . 16186 1
1258 . 1 1 98 98 GLY CA C 13 44.9 0.2 . 1 . . . . 98 GLY CA . 16186 1
1259 . 1 1 98 98 GLY N N 15 108.6 0.2 . 1 . . . . 98 GLY N . 16186 1
1260 . 1 1 99 99 PRO HA H 1 4.38 0.02 . 1 . . . . 99 PRO HA . 16186 1
1261 . 1 1 99 99 PRO HB2 H 1 2.24 0.02 . 2 . . . . 99 PRO HB2 . 16186 1
1262 . 1 1 99 99 PRO HB3 H 1 1.86 0.02 . 2 . . . . 99 PRO HB3 . 16186 1
1263 . 1 1 99 99 PRO HD2 H 1 3.69 0.02 . 2 . . . . 99 PRO HD2 . 16186 1
1264 . 1 1 99 99 PRO HD3 H 1 3.69 0.02 . 2 . . . . 99 PRO HD3 . 16186 1
1265 . 1 1 99 99 PRO HG2 H 1 1.94 0.02 . 2 . . . . 99 PRO HG2 . 16186 1
1266 . 1 1 99 99 PRO HG3 H 1 1.94 0.02 . 2 . . . . 99 PRO HG3 . 16186 1
1267 . 1 1 99 99 PRO C C 13 177.4 0.2 . 1 . . . . 99 PRO C . 16186 1
1268 . 1 1 99 99 PRO CA C 13 63.9 0.2 . 1 . . . . 99 PRO CA . 16186 1
1269 . 1 1 99 99 PRO CB C 13 32.4 0.2 . 1 . . . . 99 PRO CB . 16186 1
1270 . 1 1 99 99 PRO CD C 13 50.0 0.2 . 1 . . . . 99 PRO CD . 16186 1
1271 . 1 1 99 99 PRO CG C 13 26.9 0.2 . 1 . . . . 99 PRO CG . 16186 1
1272 . 1 1 100 100 LEU H H 1 7.75 0.02 . 1 . . . . 100 LEU H . 16186 1
1273 . 1 1 100 100 LEU HA H 1 4.28 0.02 . 1 . . . . 100 LEU HA . 16186 1
1274 . 1 1 100 100 LEU HB2 H 1 1.45 0.02 . 2 . . . . 100 LEU HB2 . 16186 1
1275 . 1 1 100 100 LEU HB3 H 1 1.70 0.02 . 2 . . . . 100 LEU HB3 . 16186 1
1276 . 1 1 100 100 LEU HD11 H 1 0.76 0.02 . 2 . . . . 100 LEU HD1 . 16186 1
1277 . 1 1 100 100 LEU HD12 H 1 0.76 0.02 . 2 . . . . 100 LEU HD1 . 16186 1
1278 . 1 1 100 100 LEU HD13 H 1 0.76 0.02 . 2 . . . . 100 LEU HD1 . 16186 1
1279 . 1 1 100 100 LEU HD21 H 1 0.85 0.02 . 2 . . . . 100 LEU HD2 . 16186 1
1280 . 1 1 100 100 LEU HD22 H 1 0.85 0.02 . 2 . . . . 100 LEU HD2 . 16186 1
1281 . 1 1 100 100 LEU HD23 H 1 0.85 0.02 . 2 . . . . 100 LEU HD2 . 16186 1
1282 . 1 1 100 100 LEU HG H 1 1.72 0.02 . 1 . . . . 100 LEU HG . 16186 1
1283 . 1 1 100 100 LEU C C 13 177.4 0.2 . 1 . . . . 100 LEU C . 16186 1
1284 . 1 1 100 100 LEU CA C 13 55.8 0.2 . 1 . . . . 100 LEU CA . 16186 1
1285 . 1 1 100 100 LEU CB C 13 42.6 0.2 . 1 . . . . 100 LEU CB . 16186 1
1286 . 1 1 100 100 LEU CD1 C 13 25.3 0.02 . 2 . . . . 100 LEU CD1 . 16186 1
1287 . 1 1 100 100 LEU CD2 C 13 25.1 0.02 . 2 . . . . 100 LEU CD2 . 16186 1
1288 . 1 1 100 100 LEU CG C 13 27.7 0.2 . 1 . . . . 100 LEU CG . 16186 1
1289 . 1 1 100 100 LEU N N 15 120.3 0.2 . 1 . . . . 100 LEU N . 16186 1
1290 . 1 1 101 101 GLY H H 1 8.62 0.02 . 1 . . . . 101 GLY H . 16186 1
1291 . 1 1 101 101 GLY HA2 H 1 4.11 0.02 . 2 . . . . 101 GLY HA2 . 16186 1
1292 . 1 1 101 101 GLY HA3 H 1 3.89 0.02 . 2 . . . . 101 GLY HA3 . 16186 1
1293 . 1 1 101 101 GLY C C 13 173.6 0.2 . 1 . . . . 101 GLY C . 16186 1
1294 . 1 1 101 101 GLY CA C 13 44.3 0.2 . 1 . . . . 101 GLY CA . 16186 1
1295 . 1 1 101 101 GLY N N 15 110.6 0.2 . 1 . . . . 101 GLY N . 16186 1
1296 . 1 1 102 102 ALA H H 1 8.31 0.02 . 1 . . . . 102 ALA H . 16186 1
1297 . 1 1 102 102 ALA HA H 1 3.52 0.02 . 1 . . . . 102 ALA HA . 16186 1
1298 . 1 1 102 102 ALA HB1 H 1 1.12 0.02 . 1 . . . . 102 ALA HB . 16186 1
1299 . 1 1 102 102 ALA HB2 H 1 1.12 0.02 . 1 . . . . 102 ALA HB . 16186 1
1300 . 1 1 102 102 ALA HB3 H 1 1.12 0.02 . 1 . . . . 102 ALA HB . 16186 1
1301 . 1 1 102 102 ALA C C 13 178.9 0.2 . 1 . . . . 102 ALA C . 16186 1
1302 . 1 1 102 102 ALA CA C 13 55.4 0.2 . 1 . . . . 102 ALA CA . 16186 1
1303 . 1 1 102 102 ALA CB C 13 18.6 0.2 . 1 . . . . 102 ALA CB . 16186 1
1304 . 1 1 102 102 ALA N N 15 122.0 0.2 . 1 . . . . 102 ALA N . 16186 1
1305 . 1 1 103 103 LYS H H 1 8.36 0.02 . 1 . . . . 103 LYS H . 16186 1
1306 . 1 1 103 103 LYS HA H 1 3.73 0.02 . 1 . . . . 103 LYS HA . 16186 1
1307 . 1 1 103 103 LYS HB2 H 1 1.80 0.02 . 2 . . . . 103 LYS HB2 . 16186 1
1308 . 1 1 103 103 LYS HB3 H 1 1.72 0.02 . 2 . . . . 103 LYS HB3 . 16186 1
1309 . 1 1 103 103 LYS HD2 H 1 1.63 0.02 . 2 . . . . 103 LYS HD2 . 16186 1
1310 . 1 1 103 103 LYS HD3 H 1 1.63 0.02 . 2 . . . . 103 LYS HD3 . 16186 1
1311 . 1 1 103 103 LYS HE2 H 1 2.95 0.02 . 2 . . . . 103 LYS HE2 . 16186 1
1312 . 1 1 103 103 LYS HE3 H 1 2.93 0.02 . 2 . . . . 103 LYS HE3 . 16186 1
1313 . 1 1 103 103 LYS HG2 H 1 1.47 0.02 . 2 . . . . 103 LYS HG2 . 16186 1
1314 . 1 1 103 103 LYS HG3 H 1 1.34 0.02 . 2 . . . . 103 LYS HG3 . 16186 1
1315 . 1 1 103 103 LYS C C 13 179.4 0.2 . 1 . . . . 103 LYS C . 16186 1
1316 . 1 1 103 103 LYS CA C 13 60.0 0.2 . 1 . . . . 103 LYS CA . 16186 1
1317 . 1 1 103 103 LYS CB C 13 31.9 0.2 . 1 . . . . 103 LYS CB . 16186 1
1318 . 1 1 103 103 LYS CD C 13 29.4 0.2 . 1 . . . . 103 LYS CD . 16186 1
1319 . 1 1 103 103 LYS CE C 13 42.2 0.2 . 1 . . . . 103 LYS CE . 16186 1
1320 . 1 1 103 103 LYS CG C 13 25.4 0.2 . 1 . . . . 103 LYS CG . 16186 1
1321 . 1 1 103 103 LYS N N 15 116.5 0.2 . 1 . . . . 103 LYS N . 16186 1
1322 . 1 1 104 104 GLU H H 1 7.89 0.02 . 1 . . . . 104 GLU H . 16186 1
1323 . 1 1 104 104 GLU HA H 1 4.08 0.02 . 1 . . . . 104 GLU HA . 16186 1
1324 . 1 1 104 104 GLU HB2 H 1 2.16 0.02 . 2 . . . . 104 GLU HB2 . 16186 1
1325 . 1 1 104 104 GLU HB3 H 1 1.85 0.02 . 2 . . . . 104 GLU HB3 . 16186 1
1326 . 1 1 104 104 GLU HG2 H 1 2.33 0.02 . 2 . . . . 104 GLU HG2 . 16186 1
1327 . 1 1 104 104 GLU HG3 H 1 2.26 0.02 . 2 . . . . 104 GLU HG3 . 16186 1
1328 . 1 1 104 104 GLU C C 13 179.3 0.2 . 1 . . . . 104 GLU C . 16186 1
1329 . 1 1 104 104 GLU CA C 13 59.5 0.2 . 1 . . . . 104 GLU CA . 16186 1
1330 . 1 1 104 104 GLU CB C 13 29.1 0.2 . 1 . . . . 104 GLU CB . 16186 1
1331 . 1 1 104 104 GLU CG C 13 36.5 0.2 . 1 . . . . 104 GLU CG . 16186 1
1332 . 1 1 104 104 GLU N N 15 120.0 0.2 . 1 . . . . 104 GLU N . 16186 1
1333 . 1 1 105 105 ILE H H 1 8.17 0.02 . 1 . . . . 105 ILE H . 16186 1
1334 . 1 1 105 105 ILE HA H 1 3.52 0.02 . 1 . . . . 105 ILE HA . 16186 1
1335 . 1 1 105 105 ILE HB H 1 1.64 0.02 . 1 . . . . 105 ILE HB . 16186 1
1336 . 1 1 105 105 ILE HD11 H 1 0.76 0.02 . 1 . . . . 105 ILE HD1 . 16186 1
1337 . 1 1 105 105 ILE HD12 H 1 0.76 0.02 . 1 . . . . 105 ILE HD1 . 16186 1
1338 . 1 1 105 105 ILE HD13 H 1 0.76 0.02 . 1 . . . . 105 ILE HD1 . 16186 1
1339 . 1 1 105 105 ILE HG12 H 1 1.76 0.02 . 2 . . . . 105 ILE HG12 . 16186 1
1340 . 1 1 105 105 ILE HG13 H 1 0.68 0.02 . 2 . . . . 105 ILE HG13 . 16186 1
1341 . 1 1 105 105 ILE HG21 H 1 0.85 0.02 . 1 . . . . 105 ILE HG2 . 16186 1
1342 . 1 1 105 105 ILE HG22 H 1 0.85 0.02 . 1 . . . . 105 ILE HG2 . 16186 1
1343 . 1 1 105 105 ILE HG23 H 1 0.85 0.02 . 1 . . . . 105 ILE HG2 . 16186 1
1344 . 1 1 105 105 ILE C C 13 178.1 0.2 . 1 . . . . 105 ILE C . 16186 1
1345 . 1 1 105 105 ILE CA C 13 66.7 0.2 . 1 . . . . 105 ILE CA . 16186 1
1346 . 1 1 105 105 ILE CB C 13 37.7 0.2 . 1 . . . . 105 ILE CB . 16186 1
1347 . 1 1 105 105 ILE CD1 C 13 13.7 0.2 . 1 . . . . 105 ILE CD1 . 16186 1
1348 . 1 1 105 105 ILE CG1 C 13 30.6 0.2 . 1 . . . . 105 ILE CG1 . 16186 1
1349 . 1 1 105 105 ILE CG2 C 13 17.6 0.2 . 1 . . . . 105 ILE CG2 . 16186 1
1350 . 1 1 105 105 ILE N N 15 119.5 0.2 . 1 . . . . 105 ILE N . 16186 1
1351 . 1 1 106 106 HIS H H 1 8.93 0.02 . 1 . . . . 106 HIS H . 16186 1
1352 . 1 1 106 106 HIS HA H 1 4.23 0.02 . 1 . . . . 106 HIS HA . 16186 1
1353 . 1 1 106 106 HIS HB2 H 1 3.43 0.02 . 2 . . . . 106 HIS HB2 . 16186 1
1354 . 1 1 106 106 HIS HB3 H 1 3.26 0.02 . 2 . . . . 106 HIS HB3 . 16186 1
1355 . 1 1 106 106 HIS HD2 H 1 5.67 0.02 . 1 . . . . 106 HIS HD2 . 16186 1
1356 . 1 1 106 106 HIS C C 13 178.0 0.2 . 1 . . . . 106 HIS C . 16186 1
1357 . 1 1 106 106 HIS CA C 13 57.6 0.2 . 1 . . . . 106 HIS CA . 16186 1
1358 . 1 1 106 106 HIS CB C 13 28.4 0.2 . 1 . . . . 106 HIS CB . 16186 1
1359 . 1 1 106 106 HIS CD2 C 13 115.1 0.2 . 1 . . . . 106 HIS CD2 . 16186 1
1360 . 1 1 106 106 HIS N N 15 116.7 0.2 . 1 . . . . 106 HIS N . 16186 1
1361 . 1 1 107 107 SER H H 1 8.06 0.02 . 1 . . . . 107 SER H . 16186 1
1362 . 1 1 107 107 SER HA H 1 4.31 0.02 . 1 . . . . 107 SER HA . 16186 1
1363 . 1 1 107 107 SER HB2 H 1 4.17 0.02 . 2 . . . . 107 SER HB2 . 16186 1
1364 . 1 1 107 107 SER HB3 H 1 4.04 0.02 . 2 . . . . 107 SER HB3 . 16186 1
1365 . 1 1 107 107 SER C C 13 175.9 0.2 . 1 . . . . 107 SER C . 16186 1
1366 . 1 1 107 107 SER CA C 13 62.2 0.2 . 1 . . . . 107 SER CA . 16186 1
1367 . 1 1 107 107 SER CB C 13 62.5 0.2 . 1 . . . . 107 SER CB . 16186 1
1368 . 1 1 107 107 SER N N 15 117.0 0.2 . 1 . . . . 107 SER N . 16186 1
1369 . 1 1 108 108 LEU H H 1 7.95 0.02 . 1 . . . . 108 LEU H . 16186 1
1370 . 1 1 108 108 LEU HA H 1 4.18 0.02 . 1 . . . . 108 LEU HA . 16186 1
1371 . 1 1 108 108 LEU HB2 H 1 1.88 0.02 . 2 . . . . 108 LEU HB2 . 16186 1
1372 . 1 1 108 108 LEU HB3 H 1 1.95 0.02 . 2 . . . . 108 LEU HB3 . 16186 1
1373 . 1 1 108 108 LEU HD11 H 1 0.69 0.02 . 2 . . . . 108 LEU HD1 . 16186 1
1374 . 1 1 108 108 LEU HD12 H 1 0.69 0.02 . 2 . . . . 108 LEU HD1 . 16186 1
1375 . 1 1 108 108 LEU HD13 H 1 0.69 0.02 . 2 . . . . 108 LEU HD1 . 16186 1
1376 . 1 1 108 108 LEU HD21 H 1 0.83 0.02 . 2 . . . . 108 LEU HD2 . 16186 1
1377 . 1 1 108 108 LEU HD22 H 1 0.83 0.02 . 2 . . . . 108 LEU HD2 . 16186 1
1378 . 1 1 108 108 LEU HD23 H 1 0.83 0.02 . 2 . . . . 108 LEU HD2 . 16186 1
1379 . 1 1 108 108 LEU HG H 1 1.87 0.02 . 1 . . . . 108 LEU HG . 16186 1
1380 . 1 1 108 108 LEU C C 13 180.6 0.2 . 1 . . . . 108 LEU C . 16186 1
1381 . 1 1 108 108 LEU CA C 13 57.9 0.2 . 1 . . . . 108 LEU CA . 16186 1
1382 . 1 1 108 108 LEU CB C 13 42.5 0.2 . 1 . . . . 108 LEU CB . 16186 1
1383 . 1 1 108 108 LEU CD1 C 13 26.6 0.02 . 2 . . . . 108 LEU CD1 . 16186 1
1384 . 1 1 108 108 LEU CD2 C 13 22.8 0.02 . 2 . . . . 108 LEU CD2 . 16186 1
1385 . 1 1 108 108 LEU CG C 13 26.6 0.2 . 1 . . . . 108 LEU CG . 16186 1
1386 . 1 1 108 108 LEU N N 15 121.8 0.2 . 1 . . . . 108 LEU N . 16186 1
1387 . 1 1 109 109 ILE H H 1 8.73 0.02 . 1 . . . . 109 ILE H . 16186 1
1388 . 1 1 109 109 ILE HA H 1 3.83 0.02 . 1 . . . . 109 ILE HA . 16186 1
1389 . 1 1 109 109 ILE HB H 1 2.20 0.02 . 1 . . . . 109 ILE HB . 16186 1
1390 . 1 1 109 109 ILE HD11 H 1 1.03 0.02 . 1 . . . . 109 ILE HD1 . 16186 1
1391 . 1 1 109 109 ILE HD12 H 1 1.03 0.02 . 1 . . . . 109 ILE HD1 . 16186 1
1392 . 1 1 109 109 ILE HD13 H 1 1.03 0.02 . 1 . . . . 109 ILE HD1 . 16186 1
1393 . 1 1 109 109 ILE HG12 H 1 1.06 0.02 . 2 . . . . 109 ILE HG12 . 16186 1
1394 . 1 1 109 109 ILE HG13 H 1 2.19 0.02 . 2 . . . . 109 ILE HG13 . 16186 1
1395 . 1 1 109 109 ILE HG21 H 1 1.24 0.02 . 1 . . . . 109 ILE HG2 . 16186 1
1396 . 1 1 109 109 ILE HG22 H 1 1.24 0.02 . 1 . . . . 109 ILE HG2 . 16186 1
1397 . 1 1 109 109 ILE HG23 H 1 1.24 0.02 . 1 . . . . 109 ILE HG2 . 16186 1
1398 . 1 1 109 109 ILE C C 13 176.8 0.2 . 1 . . . . 109 ILE C . 16186 1
1399 . 1 1 109 109 ILE CA C 13 65.8 0.2 . 1 . . . . 109 ILE CA . 16186 1
1400 . 1 1 109 109 ILE CB C 13 38.6 0.2 . 1 . . . . 109 ILE CB . 16186 1
1401 . 1 1 109 109 ILE CD1 C 13 16.6 0.2 . 1 . . . . 109 ILE CD1 . 16186 1
1402 . 1 1 109 109 ILE CG1 C 13 29.5 0.2 . 1 . . . . 109 ILE CG1 . 16186 1
1403 . 1 1 109 109 ILE CG2 C 13 18.7 0.2 . 1 . . . . 109 ILE CG2 . 16186 1
1404 . 1 1 109 109 ILE N N 15 120.2 0.2 . 1 . . . . 109 ILE N . 16186 1
1405 . 1 1 110 110 GLU H H 1 7.96 0.02 . 1 . . . . 110 GLU H . 16186 1
1406 . 1 1 110 110 GLU HA H 1 4.28 0.02 . 1 . . . . 110 GLU HA . 16186 1
1407 . 1 1 110 110 GLU HB2 H 1 2.20 0.02 . 2 . . . . 110 GLU HB2 . 16186 1
1408 . 1 1 110 110 GLU HB3 H 1 2.20 0.02 . 2 . . . . 110 GLU HB3 . 16186 1
1409 . 1 1 110 110 GLU HG2 H 1 2.50 0.02 . 2 . . . . 110 GLU HG2 . 16186 1
1410 . 1 1 110 110 GLU HG3 H 1 2.35 0.02 . 2 . . . . 110 GLU HG3 . 16186 1
1411 . 1 1 110 110 GLU C C 13 178.5 0.2 . 1 . . . . 110 GLU C . 16186 1
1412 . 1 1 110 110 GLU CA C 13 58.8 0.2 . 1 . . . . 110 GLU CA . 16186 1
1413 . 1 1 110 110 GLU CB C 13 28.2 0.2 . 1 . . . . 110 GLU CB . 16186 1
1414 . 1 1 110 110 GLU CG C 13 34.5 0.2 . 1 . . . . 110 GLU CG . 16186 1
1415 . 1 1 110 110 GLU N N 15 120.8 0.2 . 1 . . . . 110 GLU N . 16186 1
1416 . 1 1 111 111 ASP H H 1 8.29 0.02 . 1 . . . . 111 ASP H . 16186 1
1417 . 1 1 111 111 ASP HA H 1 4.47 0.02 . 1 . . . . 111 ASP HA . 16186 1
1418 . 1 1 111 111 ASP HB2 H 1 3.02 0.02 . 2 . . . . 111 ASP HB2 . 16186 1
1419 . 1 1 111 111 ASP HB3 H 1 2.79 0.02 . 2 . . . . 111 ASP HB3 . 16186 1
1420 . 1 1 111 111 ASP C C 13 178.2 0.2 . 1 . . . . 111 ASP C . 16186 1
1421 . 1 1 111 111 ASP CA C 13 57.1 0.2 . 1 . . . . 111 ASP CA . 16186 1
1422 . 1 1 111 111 ASP CB C 13 39.3 0.2 . 1 . . . . 111 ASP CB . 16186 1
1423 . 1 1 111 111 ASP N N 15 119.2 0.2 . 1 . . . . 111 ASP N . 16186 1
1424 . 1 1 112 112 SER H H 1 7.80 0.02 . 1 . . . . 112 SER H . 16186 1
1425 . 1 1 112 112 SER HA H 1 4.20 0.02 . 1 . . . . 112 SER HA . 16186 1
1426 . 1 1 112 112 SER HB2 H 1 4.52 0.02 . 2 . . . . 112 SER HB2 . 16186 1
1427 . 1 1 112 112 SER HB3 H 1 4.26 0.02 . 2 . . . . 112 SER HB3 . 16186 1
1428 . 1 1 112 112 SER C C 13 178.6 0.2 . 1 . . . . 112 SER C . 16186 1
1429 . 1 1 112 112 SER CA C 13 61.2 0.2 . 1 . . . . 112 SER CA . 16186 1
1430 . 1 1 112 112 SER CB C 13 64.2 0.2 . 1 . . . . 112 SER CB . 16186 1
1431 . 1 1 112 112 SER N N 15 114.7 0.2 . 1 . . . . 112 SER N . 16186 1
1432 . 1 1 113 113 PHE H H 1 9.16 0.02 . 1 . . . . 113 PHE H . 16186 1
1433 . 1 1 113 113 PHE HA H 1 3.21 0.02 . 1 . . . . 113 PHE HA . 16186 1
1434 . 1 1 113 113 PHE HB2 H 1 2.02 0.02 . 2 . . . . 113 PHE HB2 . 16186 1
1435 . 1 1 113 113 PHE HB3 H 1 3.10 0.02 . 2 . . . . 113 PHE HB3 . 16186 1
1436 . 1 1 113 113 PHE C C 13 178.1 0.2 . 1 . . . . 113 PHE C . 16186 1
1437 . 1 1 113 113 PHE CA C 13 62.9 0.2 . 1 . . . . 113 PHE CA . 16186 1
1438 . 1 1 113 113 PHE CB C 13 39.1 0.2 . 1 . . . . 113 PHE CB . 16186 1
1439 . 1 1 113 113 PHE N N 15 121.4 0.2 . 1 . . . . 113 PHE N . 16186 1
1440 . 1 1 114 114 GLN H H 1 8.87 0.02 . 1 . . . . 114 GLN H . 16186 1
1441 . 1 1 114 114 GLN HA H 1 4.00 0.02 . 1 . . . . 114 GLN HA . 16186 1
1442 . 1 1 114 114 GLN HB2 H 1 2.23 0.02 . 2 . . . . 114 GLN HB2 . 16186 1
1443 . 1 1 114 114 GLN HB3 H 1 2.23 0.02 . 2 . . . . 114 GLN HB3 . 16186 1
1444 . 1 1 114 114 GLN HE21 H 1 8.14 0.02 . 1 . . . . 114 GLN HE21 . 16186 1
1445 . 1 1 114 114 GLN HE22 H 1 6.98 0.02 . 1 . . . . 114 GLN HE22 . 16186 1
1446 . 1 1 114 114 GLN HG2 H 1 2.72 0.02 . 2 . . . . 114 GLN HG2 . 16186 1
1447 . 1 1 114 114 GLN HG3 H 1 2.87 0.02 . 2 . . . . 114 GLN HG3 . 16186 1
1448 . 1 1 114 114 GLN C C 13 179.7 0.2 . 1 . . . . 114 GLN C . 16186 1
1449 . 1 1 114 114 GLN CA C 13 58.3 0.2 . 1 . . . . 114 GLN CA . 16186 1
1450 . 1 1 114 114 GLN CB C 13 27.6 0.2 . 1 . . . . 114 GLN CB . 16186 1
1451 . 1 1 114 114 GLN CD C 13 180.2 0.2 . 1 . . . . 114 GLN CD . 16186 1
1452 . 1 1 114 114 GLN CG C 13 32.9 0.2 . 1 . . . . 114 GLN CG . 16186 1
1453 . 1 1 114 114 GLN N N 15 116.8 0.2 . 1 . . . . 114 GLN N . 16186 1
1454 . 1 1 114 114 GLN NE2 N 15 112.6 0.2 . 1 . . . . 114 GLN NE2 . 16186 1
1455 . 1 1 115 115 LEU H H 1 8.57 0.02 . 1 . . . . 115 LEU H . 16186 1
1456 . 1 1 115 115 LEU HA H 1 4.09 0.02 . 1 . . . . 115 LEU HA . 16186 1
1457 . 1 1 115 115 LEU HB2 H 1 1.80 0.02 . 2 . . . . 115 LEU HB2 . 16186 1
1458 . 1 1 115 115 LEU HB3 H 1 1.44 0.02 . 2 . . . . 115 LEU HB3 . 16186 1
1459 . 1 1 115 115 LEU HD11 H 1 0.67 0.02 . 2 . . . . 115 LEU HD1 . 16186 1
1460 . 1 1 115 115 LEU HD12 H 1 0.67 0.02 . 2 . . . . 115 LEU HD1 . 16186 1
1461 . 1 1 115 115 LEU HD13 H 1 0.67 0.02 . 2 . . . . 115 LEU HD1 . 16186 1
1462 . 1 1 115 115 LEU HD21 H 1 0.73 0.02 . 2 . . . . 115 LEU HD2 . 16186 1
1463 . 1 1 115 115 LEU HD22 H 1 0.73 0.02 . 2 . . . . 115 LEU HD2 . 16186 1
1464 . 1 1 115 115 LEU HD23 H 1 0.73 0.02 . 2 . . . . 115 LEU HD2 . 16186 1
1465 . 1 1 115 115 LEU HG H 1 1.77 0.02 . 1 . . . . 115 LEU HG . 16186 1
1466 . 1 1 115 115 LEU C C 13 178.6 0.2 . 1 . . . . 115 LEU C . 16186 1
1467 . 1 1 115 115 LEU CA C 13 57.3 0.2 . 1 . . . . 115 LEU CA . 16186 1
1468 . 1 1 115 115 LEU CB C 13 43.2 0.2 . 1 . . . . 115 LEU CB . 16186 1
1469 . 1 1 115 115 LEU CD1 C 13 24.9 0.02 . 2 . . . . 115 LEU CD1 . 16186 1
1470 . 1 1 115 115 LEU CD2 C 13 23.9 0.02 . 2 . . . . 115 LEU CD2 . 16186 1
1471 . 1 1 115 115 LEU CG C 13 26.8 0.2 . 1 . . . . 115 LEU CG . 16186 1
1472 . 1 1 115 115 LEU N N 15 119.8 0.2 . 1 . . . . 115 LEU N . 16186 1
1473 . 1 1 116 116 THR H H 1 7.24 0.02 . 1 . . . . 116 THR H . 16186 1
1474 . 1 1 116 116 THR HA H 1 4.27 0.02 . 1 . . . . 116 THR HA . 16186 1
1475 . 1 1 116 116 THR HB H 1 4.46 0.02 . 1 . . . . 116 THR HB . 16186 1
1476 . 1 1 116 116 THR HG1 H 1 5.35 0.02 . 1 . . . . 116 THR HG1 . 16186 1
1477 . 1 1 116 116 THR HG21 H 1 1.42 0.02 . 1 . . . . 116 THR HG2 . 16186 1
1478 . 1 1 116 116 THR HG22 H 1 1.42 0.02 . 1 . . . . 116 THR HG2 . 16186 1
1479 . 1 1 116 116 THR HG23 H 1 1.42 0.02 . 1 . . . . 116 THR HG2 . 16186 1
1480 . 1 1 116 116 THR C C 13 173.2 0.2 . 1 . . . . 116 THR C . 16186 1
1481 . 1 1 116 116 THR CA C 13 60.7 0.2 . 1 . . . . 116 THR CA . 16186 1
1482 . 1 1 116 116 THR CB C 13 70.8 0.2 . 1 . . . . 116 THR CB . 16186 1
1483 . 1 1 116 116 THR CG2 C 13 22.6 0.2 . 1 . . . . 116 THR CG2 . 16186 1
1484 . 1 1 116 116 THR N N 15 104.9 0.2 . 1 . . . . 116 THR N . 16186 1
1485 . 1 1 117 117 ARG H H 1 6.84 0.02 . 1 . . . . 117 ARG H . 16186 1
1486 . 1 1 117 117 ARG HA H 1 3.06 0.02 . 1 . . . . 117 ARG HA . 16186 1
1487 . 1 1 117 117 ARG HB2 H 1 1.50 0.02 . 2 . . . . 117 ARG HB2 . 16186 1
1488 . 1 1 117 117 ARG HB3 H 1 1.50 0.02 . 2 . . . . 117 ARG HB3 . 16186 1
1489 . 1 1 117 117 ARG HD2 H 1 3.10 0.02 . 2 . . . . 117 ARG HD2 . 16186 1
1490 . 1 1 117 117 ARG HD3 H 1 3.04 0.02 . 2 . . . . 117 ARG HD3 . 16186 1
1491 . 1 1 117 117 ARG HE H 1 7.36 0.02 . 1 . . . . 117 ARG HE . 16186 1
1492 . 1 1 117 117 ARG HG2 H 1 1.30 0.02 . 2 . . . . 117 ARG HG2 . 16186 1
1493 . 1 1 117 117 ARG HG3 H 1 1.40 0.02 . 2 . . . . 117 ARG HG3 . 16186 1
1494 . 1 1 117 117 ARG C C 13 175.2 0.2 . 1 . . . . 117 ARG C . 16186 1
1495 . 1 1 117 117 ARG CA C 13 55.9 0.2 . 1 . . . . 117 ARG CA . 16186 1
1496 . 1 1 117 117 ARG CB C 13 31.1 0.2 . 1 . . . . 117 ARG CB . 16186 1
1497 . 1 1 117 117 ARG CD C 13 44.1 0.2 . 1 . . . . 117 ARG CD . 16186 1
1498 . 1 1 117 117 ARG CG C 13 26.6 0.2 . 1 . . . . 117 ARG CG . 16186 1
1499 . 1 1 117 117 ARG CZ C 13 159.7 0.2 . 1 . . . . 117 ARG CZ . 16186 1
1500 . 1 1 117 117 ARG N N 15 120.9 0.2 . 1 . . . . 117 ARG N . 16186 1
1501 . 1 1 117 117 ARG NE N 15 84.3 0.2 . 1 . . . . 117 ARG NE . 16186 1
1502 . 1 1 118 118 LEU H H 1 8.38 0.02 . 1 . . . . 118 LEU H . 16186 1
1503 . 1 1 118 118 LEU HA H 1 4.10 0.02 . 1 . . . . 118 LEU HA . 16186 1
1504 . 1 1 118 118 LEU HB2 H 1 1.50 0.02 . 2 . . . . 118 LEU HB2 . 16186 1
1505 . 1 1 118 118 LEU HB3 H 1 1.31 0.02 . 2 . . . . 118 LEU HB3 . 16186 1
1506 . 1 1 118 118 LEU HD11 H 1 0.73 0.02 . 2 . . . . 118 LEU HD1 . 16186 1
1507 . 1 1 118 118 LEU HD12 H 1 0.73 0.02 . 2 . . . . 118 LEU HD1 . 16186 1
1508 . 1 1 118 118 LEU HD13 H 1 0.73 0.02 . 2 . . . . 118 LEU HD1 . 16186 1
1509 . 1 1 118 118 LEU HD21 H 1 0.82 0.02 . 2 . . . . 118 LEU HD2 . 16186 1
1510 . 1 1 118 118 LEU HD22 H 1 0.82 0.02 . 2 . . . . 118 LEU HD2 . 16186 1
1511 . 1 1 118 118 LEU HD23 H 1 0.82 0.02 . 2 . . . . 118 LEU HD2 . 16186 1
1512 . 1 1 118 118 LEU HG H 1 1.31 0.02 . 1 . . . . 118 LEU HG . 16186 1
1513 . 1 1 118 118 LEU C C 13 176.5 0.2 . 1 . . . . 118 LEU C . 16186 1
1514 . 1 1 118 118 LEU CA C 13 55.3 0.2 . 1 . . . . 118 LEU CA . 16186 1
1515 . 1 1 118 118 LEU CB C 13 42.4 0.2 . 1 . . . . 118 LEU CB . 16186 1
1516 . 1 1 118 118 LEU CD1 C 13 24.6 0.02 . 2 . . . . 118 LEU CD1 . 16186 1
1517 . 1 1 118 118 LEU CD2 C 13 24.6 0.02 . 2 . . . . 118 LEU CD2 . 16186 1
1518 . 1 1 118 118 LEU CG C 13 26.8 0.2 . 1 . . . . 118 LEU CG . 16186 1
1519 . 1 1 118 118 LEU N N 15 122.6 0.2 . 1 . . . . 118 LEU N . 16186 1
1520 . 1 1 119 119 GLU H H 1 8.33 0.02 . 1 . . . . 119 GLU H . 16186 1
1521 . 1 1 119 119 GLU HA H 1 4.16 0.02 . 1 . . . . 119 GLU HA . 16186 1
1522 . 1 1 119 119 GLU HB2 H 1 1.81 0.02 . 2 . . . . 119 GLU HB2 . 16186 1
1523 . 1 1 119 119 GLU HB3 H 1 1.81 0.02 . 2 . . . . 119 GLU HB3 . 16186 1
1524 . 1 1 119 119 GLU HG2 H 1 2.17 0.02 . 2 . . . . 119 GLU HG2 . 16186 1
1525 . 1 1 119 119 GLU HG3 H 1 2.10 0.02 . 2 . . . . 119 GLU HG3 . 16186 1
1526 . 1 1 119 119 GLU C C 13 175.8 0.2 . 1 . . . . 119 GLU C . 16186 1
1527 . 1 1 119 119 GLU CA C 13 56.0 0.2 . 1 . . . . 119 GLU CA . 16186 1
1528 . 1 1 119 119 GLU CB C 13 30.3 0.2 . 1 . . . . 119 GLU CB . 16186 1
1529 . 1 1 119 119 GLU CG C 13 35.8 0.2 . 1 . . . . 119 GLU CG . 16186 1
1530 . 1 1 119 119 GLU N N 15 124.0 0.2 . 1 . . . . 119 GLU N . 16186 1
1531 . 1 1 120 120 HIS H H 1 8.52 0.02 . 1 . . . . 120 HIS H . 16186 1
1532 . 1 1 120 120 HIS HA H 1 4.62 0.02 . 1 . . . . 120 HIS HA . 16186 1
1533 . 1 1 120 120 HIS HB2 H 1 3.16 0.02 . 2 . . . . 120 HIS HB2 . 16186 1
1534 . 1 1 120 120 HIS HB3 H 1 3.09 0.02 . 2 . . . . 120 HIS HB3 . 16186 1
1535 . 1 1 120 120 HIS C C 13 174.0 0.2 . 1 . . . . 120 HIS C . 16186 1
1536 . 1 1 120 120 HIS CA C 13 55.3 0.2 . 1 . . . . 120 HIS CA . 16186 1
1537 . 1 1 120 120 HIS CB C 13 29.3 0.2 . 1 . . . . 120 HIS CB . 16186 1
1538 . 1 1 120 120 HIS N N 15 120.1 0.2 . 1 . . . . 120 HIS N . 16186 1
1539 . 1 1 121 121 HIS H H 1 8.58 0.02 . 1 . . . . 121 HIS H . 16186 1
1540 . 1 1 121 121 HIS HA H 1 4.62 0.02 . 1 . . . . 121 HIS HA . 16186 1
1541 . 1 1 121 121 HIS HB2 H 1 3.20 0.02 . 2 . . . . 121 HIS HB2 . 16186 1
1542 . 1 1 121 121 HIS HB3 H 1 3.11 0.02 . 2 . . . . 121 HIS HB3 . 16186 1
1543 . 1 1 121 121 HIS C C 13 173.5 0.2 . 1 . . . . 121 HIS C . 16186 1
1544 . 1 1 121 121 HIS CA C 13 55.3 0.2 . 1 . . . . 121 HIS CA . 16186 1
1545 . 1 1 121 121 HIS CB C 13 29.2 0.2 . 1 . . . . 121 HIS CB . 16186 1
1546 . 1 1 121 121 HIS N N 15 120.8 0.2 . 1 . . . . 121 HIS N . 16186 1
1547 . 1 1 122 122 HIS H H 1 8.40 0.02 . 1 . . . . 122 HIS H . 16186 1
1548 . 1 1 122 122 HIS HA H 1 4.62 0.02 . 1 . . . . 122 HIS HA . 16186 1
1549 . 1 1 122 122 HIS HB2 H 1 3.12 0.02 . 2 . . . . 122 HIS HB2 . 16186 1
1550 . 1 1 122 122 HIS HB3 H 1 3.02 0.02 . 2 . . . . 122 HIS HB3 . 16186 1
1551 . 1 1 122 122 HIS CA C 13 55.3 0.2 . 1 . . . . 122 HIS CA . 16186 1
1552 . 1 1 122 122 HIS CB C 13 29.2 0.2 . 1 . . . . 122 HIS CB . 16186 1
1553 . 1 1 122 122 HIS N N 15 125.7 0.2 . 1 . . . . 122 HIS N . 16186 1
1554 . 1 1 123 123 HIS H H 1 8.69 0.02 . 1 . . . . 123 HIS H . 16186 1
1555 . 1 1 123 123 HIS HA H 1 4.64 0.02 . 1 . . . . 123 HIS HA . 16186 1
1556 . 1 1 123 123 HIS HB2 H 1 3.17 0.02 . 2 . . . . 123 HIS HB2 . 16186 1
1557 . 1 1 123 123 HIS HB3 H 1 3.09 0.02 . 2 . . . . 123 HIS HB3 . 16186 1
1558 . 1 1 123 123 HIS C C 13 174.1 0.2 . 1 . . . . 123 HIS C . 16186 1
1559 . 1 1 123 123 HIS CA C 13 55.3 0.2 . 1 . . . . 123 HIS CA . 16186 1
1560 . 1 1 123 123 HIS CB C 13 29.3 0.2 . 1 . . . . 123 HIS CB . 16186 1
1561 . 1 1 123 123 HIS N N 15 120.2 0.2 . 1 . . . . 123 HIS N . 16186 1
1562 . 1 1 124 124 HIS H H 1 8.71 0.02 . 1 . . . . 124 HIS H . 16186 1
1563 . 1 1 124 124 HIS HA H 1 4.64 0.02 . 1 . . . . 124 HIS HA . 16186 1
1564 . 1 1 124 124 HIS HB2 H 1 3.17 0.02 . 2 . . . . 124 HIS HB2 . 16186 1
1565 . 1 1 124 124 HIS HB3 H 1 3.09 0.02 . 2 . . . . 124 HIS HB3 . 16186 1
1566 . 1 1 124 124 HIS C C 13 174.2 0.2 . 1 . . . . 124 HIS C . 16186 1
1567 . 1 1 124 124 HIS CA C 13 55.3 0.2 . 1 . . . . 124 HIS CA . 16186 1
1568 . 1 1 124 124 HIS CB C 13 29.3 0.2 . 1 . . . . 124 HIS CB . 16186 1
1569 . 1 1 124 124 HIS N N 15 120.7 0.2 . 1 . . . . 124 HIS N . 16186 1
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 16186
_Spectral_peak_list.ID 1
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $NC_sample
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 5
_Spectral_peak_list.Experiment_name '3D 1H-15N NOESY'
_Spectral_peak_list.Number_of_spectral_dimensions .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
w1 w2 w3 Data Height
104.894 4.797 7.236 16033069
104.902 4.469 7.238 5010670
104.903 4.094 7.235 5742350
104.905 8.848 7.234 1939750
104.906 5.342 7.237 18871322
104.910 8.572 7.237 14231020
104.911 7.239 7.237 114330576
104.911 4.262 7.237 10763196
104.911 1.798 7.236 7354156
104.912 1.430 7.237 24741168
104.914 6.830 7.237 26843124
105.292 8.359 8.539 6069484
105.322 3.198 8.539 9787158
105.342 7.070 8.540 22944026
105.346 1.874 8.540 34803428
105.346 3.766 8.540 57606804
105.346 3.613 8.540 46665864
105.347 8.546 8.541 297158240
105.349 0.866 8.541 20204342
105.349 7.874 8.540 35172060
105.351 0.758 8.539 13340631
105.360 4.172 8.541 4358736
106.925 0.404 7.361 6208402
106.935 1.453 7.361 3807825
106.935 0.554 7.364 7819240
106.936 4.173 7.362 18148310
106.937 0.959 7.362 5451232
106.940 3.723 7.362 52142848
106.941 7.365 7.362 312379040
106.943 2.091 7.362 3710904
106.943 7.213 7.363 67555712
106.944 4.046 7.362 44866536
106.948 4.485 7.362 23280398
106.959 1.715 7.362 5014492
106.971 7.906 7.365 5423193
108.619 0.906 7.817 7193796
108.625 4.147 7.819 8381519
108.630 4.470 7.818 28597440
108.632 3.723 7.817 34943716
108.633 7.821 7.817 383708896
108.633 4.740 7.817 39162452
108.639 1.567 7.818 9364207
108.642 8.683 7.818 19065246
108.649 2.918 7.817 9131216
108.846 8.702 7.176 1940255
108.962 3.547 7.188 3330705
108.969 0.957 7.186 16191610
108.971 0.098 7.185 5998264
108.975 0.406 7.186 12983840
108.977 7.912 7.186 23013546
108.978 4.484 7.186 14281331
108.983 1.428 7.186 4408652
108.984 1.717 7.185 10226677
108.984 0.551 7.186 22956752
108.988 7.193 7.187 186776352
108.988 7.361 7.187 35410632
108.988 4.171 7.186 4161880
109.004 4.061 7.185 9402956
109.014 3.725 7.187 3212950
109.201 1.624 6.741 2537103
109.211 2.576 6.750 2345536
109.216 4.786 8.290 5197236
109.218 1.952 8.287 10309874
109.233 6.741 6.740 29356874
109.234 1.707 8.287 16646648
109.234 7.226 6.742 29255700
109.235 4.347 8.287 28477390
109.237 4.193 8.287 96703936
109.239 3.578 8.287 34643300
109.240 2.256 8.288 14208377
109.240 2.577 7.218 4354583
109.241 8.289 8.288 281249504
109.242 1.317 7.217 4196278
109.243 3.135 7.219 4955335
109.244 7.294 8.287 45924864
109.246 6.742 7.219 37686184
109.246 3.127 6.738 2746751
109.247 6.665 8.288 5739974
109.252 0.841 8.295 6368602
109.272 1.311 6.742 2526642
109.367 8.557 8.311 3440452
109.384 8.315 8.312 99438576
109.389 3.877 8.309 9878038
109.440 4.681 8.310 4363528
110.232 4.051 8.232 4608059
110.240 2.088 8.235 8154400
110.240 0.794 8.234 9240129
110.241 4.534 8.234 203897008
110.242 8.238 8.234 1030331584
110.242 3.735 8.234 94843536
110.242 4.385 8.233 6706884
110.243 4.213 8.234 68603352
110.243 2.690 8.234 68879968
110.250 2.283 8.234 6842597
110.257 1.164 8.236 8166892
110.579 7.744 8.612 8057690
110.624 2.167 8.613 9736628
110.628 1.456 8.613 15121305
110.632 1.717 8.613 18768682
110.633 8.615 8.613 346422880
110.633 4.282 8.613 99165392
110.633 3.884 8.613 55141176
110.634 0.831 8.613 13172245
110.635 8.311 8.614 9597653
110.635 4.116 8.613 40323948
110.636 0.770 8.613 14606974
110.644 7.891 8.612 4426026
111.008 7.457 7.454 72857552
111.012 2.766 7.461 2496338
111.027 3.325 7.453 6634944
111.046 2.766 6.938 2496499
111.053 3.333 6.937 4321887
111.056 6.934 6.937 66444052
111.066 6.937 7.453 59319392
111.068 2.922 7.453 9673418
111.069 7.457 6.936 66858880
111.091 2.922 6.936 6756447
111.382 2.086 7.587 2489322
111.400 8.382 7.598 10117143
111.400 8.382 7.598 10117143
111.408 7.604 7.603 36688648
111.415 4.283 7.603 2291852
111.420 3.007 7.596 3622547
111.431 4.574 7.604 3164507
111.470 8.385 7.591 7785809
111.470 7.616 7.597 37515128
111.470 7.842 7.600 996979
111.471 2.760 7.556 7233740
111.482 2.506 6.821 9530181
111.486 2.498 7.555 11366844
111.516 2.758 6.822 6097340
111.650 2.963 7.276 3479379
111.685 1.034 7.276 3401809
111.694 1.453 6.748 2441065
111.701 7.278 6.750 457867744
111.702 1.376 9.086 4735182
111.702 6.754 6.750 878260352
111.705 6.754 7.274 395242528
111.711 7.278 7.275 993307392
111.713 2.915 9.087 3741486
111.713 4.135 7.275 2754680
111.715 2.337 7.275 25513132
111.717 4.799 6.746 5383075
111.721 2.179 6.750 2097626
111.722 1.659 6.748 3130923
111.723 2.338 6.751 11099058
111.724 4.803 7.273 7705982
111.727 2.958 6.748 2623327
111.727 3.751 9.082 1553729
111.730 9.083 9.085 33337530
111.732 0.799 9.088 6020852
111.734 2.174 7.276 5226993
111.737 1.037 6.750 3353033
111.740 5.615 9.085 10626170
111.740 1.107 9.087 7357003
111.754 1.666 7.273 2610564
111.813 8.585 9.088 1691721
111.962 0.113 8.531 3681784
111.979 0.535 8.528 9769637
111.984 1.993 8.527 12678341
111.985 5.548 8.532 2711185
111.988 5.159 8.526 17310866
111.990 0.975 8.529 4148098
111.990 1.443 8.526 4279969
111.993 8.532 8.527 59424276
111.996 9.709 8.529 3180719
112.002 0.726 8.530 9002878
112.081 8.526 8.520 69756024
112.195 8.514 8.506 61829504
112.228 4.002 8.505 9811700
112.473 2.225 8.139 3486357
112.539 8.149 8.144 166752400
112.539 2.867 8.143 13769804
112.545 2.728 8.145 9530141
112.546 6.970 8.143 154212480
112.559 2.863 6.970 11760387
112.560 2.265 6.894 3359258
112.566 2.367 8.143 2543916
112.566 2.721 6.972 6879919
112.581 2.265 7.815 8155484
112.588 2.229 6.968 3549065
112.598 0.718 6.896 8459046
112.601 0.892 6.897 6195371
112.605 6.901 6.896 1024189184
112.609 7.818 6.897 374458528
112.610 2.505 7.815 27201302
112.611 0.895 7.817 7008664
112.612 2.507 6.897 11124255
112.613 6.902 7.815 372502528
112.622 0.721 7.813 11360497
112.625 7.818 7.815 872020672
112.652 1.762 6.899 4246408
112.660 1.764 7.817 7977606
112.727 1.483 6.898 1649565
112.993 2.688 7.596 25113822
112.996 4.639 7.254 4196874
112.998 1.841 7.254 26104534
113.003 7.254 7.252 375946400
113.004 1.419 7.254 11953563
113.006 3.102 7.253 30322764
113.009 4.800 7.253 34502756
113.010 3.750 7.251 5608197
113.014 0.865 7.252 6009568
113.019 3.957 7.251 4107453
113.024 2.686 6.930 9955898
113.024 2.244 7.256 4482942
113.043 4.130 6.775 2556092
113.049 8.022 6.774 2510016
113.097 3.891 6.775 2839940
113.101 3.617 6.773 8503760
113.109 6.778 6.774 227763968
113.110 3.705 6.776 7591562
113.110 0.314 6.773 17546248
113.111 4.518 6.774 16582830
113.112 8.435 6.773 35003884
113.112 4.802 6.774 11249283
113.113 7.609 6.774 58339992
113.113 2.817 6.774 14851149
113.116 6.191 6.773 12228570
113.120 0.415 6.773 11169479
113.123 3.056 6.776 10595383
113.140 8.827 7.547 5526272
113.150 7.559 7.553 470874048
113.151 2.309 7.552 14269963
113.161 2.819 7.552 4668678
113.161 3.187 7.550 5386136
113.169 1.484 7.551 14988632
113.171 3.910 7.550 28387120
113.174 4.130 7.550 49462644
113.175 4.800 7.551 41638204
113.176 4.656 7.551 23710722
113.184 1.019 7.550 5900653
113.200 2.551 7.551 5740326
113.204 3.059 7.551 4258678
113.216 5.843 7.554 5716936
113.244 8.651 7.552 2983453
113.276 3.991 7.844 7962526
113.276 3.176 7.845 4166727
113.289 4.198 7.845 3583971
113.291 7.096 7.848 26002278
113.294 7.845 7.848 258320464
113.295 8.334 7.847 29578312
113.298 0.770 7.848 14630491
113.299 3.616 7.849 4491178
113.301 3.743 7.846 27089596
113.304 1.820 7.847 76816960
113.306 1.321 7.847 9393251
113.317 1.412 7.847 16098701
113.332 3.109 7.846 4706194
113.568 2.917 7.671 25335256
113.573 7.679 7.671 255630496
113.574 7.678 7.125 138850336
113.576 7.132 7.125 196260368
113.577 7.131 7.671 185540096
113.580 2.917 7.126 12760824
113.585 4.753 7.668 2748482
114.025 5.310 9.258 6124930
114.027 9.260 9.259 22337048
114.032 4.993 9.259 7873316
114.035 7.749 9.258 12809186
114.063 3.098 9.253 2917672
114.310 6.585 7.344 5210400
114.317 3.990 7.337 3059524
114.318 7.342 7.342 396828608
114.318 4.798 7.342 46142700
114.320 1.305 7.342 11411124
114.322 1.447 7.342 16014090
114.323 3.069 7.342 28580954
114.431 2.217 8.853 5121212
114.443 6.933 7.502 6226698
114.444 1.872 8.852 25358800
114.446 8.856 8.852 266927760
114.446 3.256 8.854 6200376
114.448 3.513 8.851 11257252
114.448 1.254 7.500 6089050
114.450 2.852 8.852 32281544
114.451 7.507 7.501 426339200
114.452 1.608 7.501 17281830
114.453 3.068 7.501 32506454
114.454 4.793 8.852 25803982
114.454 4.797 7.500 11649847
114.455 6.756 8.853 3783752
114.455 2.329 7.498 2294174
114.457 8.293 8.853 36089724
114.465 4.377 8.853 8365766
114.682 3.020 7.793 15944212
114.686 2.794 7.793 12372029
114.688 9.160 7.793 17918562
114.689 7.906 7.792 7808360
114.689 0.792 7.791 6836830
114.695 8.282 7.794 18140608
114.696 4.509 7.795 26084252
114.696 1.287 7.794 7564970
114.701 4.231 7.794 34752796
114.702 1.454 7.793 6005378
114.706 3.837 7.793 6923736
114.715 7.794 7.794 173840560
114.716 7.386 7.792 6867962
114.719 4.796 7.791 5474060
114.802 7.647 7.639 154911440
114.802 1.883 7.640 6455286
114.803 3.250 7.638 25690404
114.806 1.071 7.633 5406128
114.807 0.757 7.642 2954833
114.814 1.643 7.638 10331326
114.834 0.947 7.640 2391498
114.872 9.022 8.699 1895467
114.886 1.971 8.696 3880802
114.905 4.423 8.695 6679688
114.911 4.184 8.695 30341316
114.914 2.283 8.695 36076488
114.915 2.092 8.695 72019640
114.917 8.697 8.695 391253536
114.917 1.165 8.695 36508172
114.917 8.570 8.696 30103932
114.920 1.813 8.697 8068403
114.922 3.551 8.694 9315845
114.927 7.912 8.696 23780896
114.935 2.459 8.695 6207273
114.943 1.435 8.696 4449872
115.010 4.366 7.013 2734968
115.053 1.803 7.005 8848602
115.055 1.954 7.003 3544364
115.060 1.437 7.008 14000787
115.061 2.219 7.007 16539809
115.062 7.008 7.006 358631296
115.062 4.739 7.006 18182664
115.063 3.512 7.005 9517443
115.063 3.269 7.007 27382738
115.065 3.893 7.006 17653244
115.069 8.508 7.006 45372424
115.069 3.384 7.007 12718979
115.069 3.983 7.007 8432560
115.073 6.603 7.007 12496472
115.074 1.229 7.009 8724823
115.074 4.994 8.497 8177134
115.079 4.998 7.004 4315622
115.080 3.891 8.500 32625888
115.082 2.297 8.498 8586197
115.083 9.022 7.010 3989032
115.085 8.509 8.501 314066880
115.086 9.027 8.500 26432168
115.087 1.434 8.501 54413480
115.087 1.213 8.501 33186546
115.088 3.993 8.498 12229649
115.092 2.025 8.501 18595744
115.096 1.003 8.500 13732510
115.097 7.008 8.501 35954384
115.103 4.794 8.501 2214918
115.107 3.274 8.501 8858614
115.212 5.160 9.078 7754038
115.216 9.077 9.078 134207000
115.217 0.528 9.078 40864920
115.218 5.576 9.077 49842424
115.218 8.793 9.080 9801401
115.222 9.190 9.082 4616570
115.223 2.227 9.079 7092121
115.226 0.752 9.079 7329894
115.227 2.498 9.078 4218920
115.254 7.889 7.881 209053072
115.254 8.318 7.881 10117148
115.254 4.400 7.884 4389600
115.254 2.773 7.887 8931642
115.254 8.661 7.879 2680812
115.262 3.013 7.888 12525639
115.272 2.589 7.888 3076326
115.274 3.149 7.882 6301723
115.280 4.665 7.883 48195100
115.323 2.778 7.882 8795507
115.339 1.037 7.844 9975721
115.344 7.841 6.922 307164896
115.344 6.920 7.844 290000448
115.346 6.920 6.922 569235200
115.347 2.426 6.922 26215244
115.349 1.039 6.922 17689492
115.352 1.997 7.842 4294978
115.353 2.426 7.845 49515336
115.354 1.985 6.922 4164621
115.356 3.917 6.924 3731079
115.370 2.171 6.923 2814495
115.398 7.025 6.919 -8855484
115.575 3.078 9.020 2810518
115.595 7.872 7.868 756287744
115.603 0.991 9.024 4655358
115.619 4.169 7.868 51495488
115.621 1.946 9.022 5775696
115.622 8.333 7.869 64560780
115.623 8.548 7.868 47288816
115.624 4.799 7.868 10696415
115.625 8.538 9.021 6950545
115.626 3.832 7.868 110189784
115.630 1.255 9.022 7640440
115.631 3.613 7.868 24653514
115.633 4.571 9.022 18483460
115.636 4.423 9.022 10966643
115.637 8.423 9.021 5125046
115.637 4.732 9.022 55225548
115.640 0.481 9.022 51056204
115.641 9.026 9.022 235372928
115.642 8.799 9.022 17573512
115.642 4.441 7.871 17582486
115.643 0.772 7.868 14812887
115.650 1.593 9.022 22681608
115.650 0.745 9.023 17011544
115.653 1.648 7.867 5317556
115.656 1.782 7.869 13933762
115.659 5.491 9.022 3556985
115.669 7.085 7.872 5871361
115.675 7.874 7.869 603245376
115.688 7.521 7.523 64209532
115.701 3.002 7.529 5506829
115.707 2.868 7.888 4488358
115.712 7.887 7.524 63121056
115.712 2.999 7.891 8731189
115.716 7.523 7.889 71538560
115.771 2.849 7.522 3022113
115.849 -0.446 7.784 4932406
115.861 1.306 7.786 7262892
115.877 6.818 7.780 5455214
115.886 7.790 7.786 231016832
115.887 3.199 7.785 13088756
115.889 3.023 7.784 10194404
115.892 1.586 7.785 12092825
115.905 6.998 7.785 6691100
115.952 7.836 7.837 273536416
115.952 7.604 7.836 2558870
115.954 5.613 7.834 17021014
115.954 0.921 7.833 19139238
115.955 3.752 7.832 55679220
115.955 1.753 7.836 8637610
115.955 0.419 7.833 41045652
115.956 4.403 7.834 17112520
115.962 0.686 7.832 24890756
115.963 0.244 7.832 16015358
115.966 4.797 7.833 5109934
115.970 1.216 7.830 6249009
115.971 -0.315 7.832 3201231
116.006 1.082 7.834 4539131
116.172 2.775 7.894 10375621
116.185 4.588 7.889 10522281
116.185 8.312 7.895 5693020
116.187 3.937 7.894 7113398
116.190 4.674 7.893 24642618
116.191 8.655 7.893 29399734
116.192 3.413 7.894 9134783
116.192 7.892 7.893 229149232
116.200 2.570 7.895 8482106
116.217 3.153 7.892 7775762
116.245 8.304 7.895 5693020
116.474 3.514 8.357 13701369
116.486 1.344 8.360 10493572
116.487 8.355 8.357 530020512
116.491 1.767 8.358 96269352
116.491 1.465 8.358 20521522
116.492 1.107 8.358 54488856
116.492 3.729 8.358 45244712
116.499 4.103 8.357 10059261
116.502 7.894 8.358 46329608
116.511 3.883 8.358 10915491
116.545 4.366 7.825 8745802
116.545 3.728 7.827 6163812
116.554 3.276 7.823 2688320
116.559 0.763 7.091 7701191
116.560 4.130 7.828 22095034
116.562 3.989 7.095 9509381
116.563 4.798 7.826 9514540
116.563 3.744 7.094 16926676
116.565 3.921 7.829 4146922
116.566 2.319 7.827 60897016
116.566 1.628 7.831 3558260
116.568 4.476 7.093 3202636
116.569 8.338 7.827 25611930
116.571 7.098 7.094 464772992
116.571 4.205 7.094 49602196
116.571 1.619 7.095 52331372
116.572 2.177 7.827 41523096
116.572 1.978 7.095 32494364
116.573 1.021 7.827 33102110
116.573 1.763 7.095 61301472
116.575 8.040 7.828 35461828
116.575 7.832 7.094 97027216
116.579 1.399 7.094 28327778
116.583 7.828 7.826 291116000
116.583 8.437 7.828 5060123
116.589 1.716 7.832 4190410
116.590 8.333 7.091 4414753
116.619 2.920 7.090 3641293
116.620 1.942 7.097 26663268
116.698 4.060 8.921 5928566
116.704 7.919 8.923 6110702
116.706 4.798 8.919 5840325
116.727 4.236 8.921 18256274
116.729 8.931 8.922 265143424
116.729 4.249 8.861 4850272
116.729 3.529 8.924 18743452
116.731 5.666 8.923 9587965
116.734 3.432 8.922 27168080
116.736 8.063 8.921 26194314
116.736 1.643 8.921 26596696
116.738 3.733 8.920 10831890
116.738 0.844 8.920 15897955
116.739 8.164 8.920 29080770
116.741 3.243 8.921 17350374
116.743 1.847 8.919 6118935
116.755 2.029 8.860 4422394
116.757 3.994 8.859 10035324
116.759 1.069 8.922 5768826
116.761 8.876 8.862 97504144
116.765 8.573 8.858 12892315
116.768 2.725 8.861 9826031
116.768 2.220 8.859 21160076
116.772 3.091 8.860 10752624
116.772 2.866 8.859 16053488
116.781 9.160 8.859 9224693
116.798 4.476 8.860 5634283
116.906 0.764 9.624 6163518
116.908 1.481 9.622 4434832
116.921 4.343 9.622 6245360
116.922 1.771 9.620 15329345
116.923 3.926 9.622 15200331
116.924 4.190 9.621 42147588
116.926 2.010 9.621 52561752
116.927 2.501 9.622 7141164
116.927 9.620 9.621 393474880
116.928 7.070 9.621 5492094
116.929 2.275 9.621 33957608
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121.501 2.284 7.749 8676347
121.565 2.663 8.051 16285705
121.570 8.704 8.050 25769380
121.571 3.187 8.050 34615652
121.571 2.864 8.052 36208536
121.571 2.738 8.051 22860376
121.571 1.026 8.051 8943131
121.574 4.361 8.054 7330363
121.577 7.833 8.052 4632634
121.577 8.060 8.052 258240464
121.578 8.338 8.052 28804284
121.585 3.984 8.050 24943212
121.586 6.719 8.051 9739686
121.594 4.140 8.057 17535820
121.698 8.101 8.090 113832048
121.786 2.185 7.944 7026714
121.811 3.507 7.942 12253797
121.814 4.167 7.941 20216578
121.817 4.314 7.944 6170426
121.819 7.945 7.941 196705056
121.819 1.865 7.941 72811616
121.819 1.346 7.942 17576004
121.820 0.711 7.943 20401422
121.821 4.035 7.941 26177424
121.822 0.809 7.943 25329294
121.826 8.931 7.936 2742302
121.826 8.730 7.943 17221948
121.908 0.454 7.250 4024537
121.911 0.574 7.250 19414472
121.913 2.090 7.253 5330828
121.915 4.180 7.250 28923826
121.916 8.265 7.250 5351598
121.917 7.250 7.249 384016672
121.918 1.449 7.250 62540904
121.918 1.207 7.250 32836594
121.921 3.723 7.250 11885572
121.923 0.925 7.250 14934509
121.923 0.818 7.250 26384374
121.924 4.041 7.250 35451532
121.930 4.506 7.252 3122934
121.933 8.308 8.309 492653536
121.938 0.762 8.312 4959226
121.943 2.535 8.494 7869168
121.944 3.883 8.310 59389728
121.945 3.516 8.311 43004536
121.947 1.718 8.308 6390372
121.948 1.107 8.310 111607248
121.950 4.114 8.310 80485064
121.952 8.611 8.312 14965697
121.953 4.798 8.309 4755892
121.960 2.126 8.493 4416274
121.960 4.793 8.497 5597758
121.963 2.313 8.496 10785177
121.964 2.907 8.497 5448723
121.965 4.207 8.496 26058292
121.966 7.884 8.313 4443326
121.968 2.785 8.497 8529191
121.972 1.967 8.496 8745185
121.981 4.980 8.495 6032822
122.007 8.508 8.498 80625720
122.026 3.327 8.494 3034272
122.205 4.797 8.712 11111451
122.253 5.321 8.715 5525822
122.256 2.300 8.712 6495388
122.259 8.711 8.714 152338800
122.267 4.247 8.713 57500916
122.268 1.567 8.713 21659326
122.268 1.496 8.714 27620242
122.272 8.834 8.709 5886891
122.272 4.805 8.712 10315418
122.276 1.308 8.713 10707562
122.292 8.574 8.711 5875412
122.311 -0.452 8.712 3468178
122.363 3.550 8.714 1902245
122.528 7.232 8.373 3210215
122.546 6.822 8.373 6496574
122.566 8.377 8.374 165792240
122.570 3.057 8.374 34071488
122.576 1.494 8.376 36174476
122.577 1.307 8.375 36039648
122.580 4.095 8.375 13417737
122.607 4.799 8.375 3335529
122.608 0.784 8.375 3279234
122.690 1.498 8.780 2486932
122.693 9.079 8.789 4198626
122.694 4.418 8.787 2690992
122.719 1.067 8.791 4093428
122.726 0.527 8.788 6616371
122.729 1.614 8.791 2130115
122.741 8.793 8.789 57799096
122.742 0.752 8.789 10873436
122.744 5.248 8.789 19406832
122.747 1.178 8.792 4795900
122.752 1.348 8.788 2543887
122.755 9.084 8.788 3972658
122.773 1.726 8.794 2132830
122.780 5.544 8.792 4406008
122.781 0.121 8.794 3649102
122.857 4.783 7.819 1528051
122.861 2.904 7.820 5004036
122.875 3.614 7.820 5824323
122.885 3.987 7.821 18862398
122.888 4.477 7.821 33194988
122.889 3.741 7.821 15058251
122.889 7.097 7.821 81302624
122.889 1.411 7.821 29060120
122.891 7.825 7.821 605060352
122.891 1.586 7.821 55260136
122.892 4.208 7.821 26599562
122.894 1.710 7.821 47004916
122.895 1.895 7.821 63663180
122.895 0.764 7.822 21601554
122.944 7.836 8.619 5615656
122.955 4.801 8.612 3683338
122.966 3.930 8.618 3940204
122.970 0.894 8.617 14434911
122.971 8.617 8.616 245451792
122.971 2.266 8.616 19558530
122.972 1.750 8.616 74953152
122.972 2.503 8.616 40343628
122.974 4.395 8.616 59800380
122.974 0.682 8.616 32866972
122.980 0.420 8.616 14418051
122.981 8.303 8.619 3193903
123.279 7.604 8.274 5552045
123.287 4.183 8.271 6713099
123.290 8.276 8.274 684315904
123.290 7.248 8.275 7668078
123.292 2.686 8.274 142145936
123.292 4.038 8.274 149814336
123.293 0.800 8.274 79966536
123.294 1.451 8.274 12507781
123.295 4.534 8.274 49350412
123.308 1.205 8.275 10122045
123.313 0.587 8.274 7081171
123.335 8.520 8.282 4993360
123.658 4.948 8.296 2036057
123.659 1.333 8.296 27599150
123.668 8.292 8.292 419734912
123.674 1.637 8.295 12858960
123.712 2.961 8.292 16728090
123.712 9.607 8.292 4115126
123.722 4.242 8.292 7251707
123.722 5.187 8.292 4908313
123.722 5.569 8.292 42059292
123.722 1.328 8.295 26783592
123.722 1.792 8.298 9837817
123.722 0.858 8.304 4240039
123.724 8.854 8.293 46552116
123.727 4.796 8.292 33847368
123.729 6.758 8.293 16653316
123.733 3.931 8.292 26064940
123.743 8.699 8.697 32200750
123.746 4.381 8.292 5232333
123.748 1.914 8.697 5362236
123.748 4.321 8.697 7004865
123.754 8.297 8.292 419734912
123.763 0.723 8.300 4964066
123.763 4.399 8.697 13431499
123.777 2.206 8.300 6050090
123.780 1.633 8.700 6118254
123.854 4.248 8.289 8973358
123.985 7.213 8.326 3639130
124.008 1.494 8.328 18305310
124.012 2.151 8.327 18262196
124.016 0.812 8.328 26615664
124.018 8.331 8.328 655097664
124.018 1.805 8.328 74632176
124.024 1.306 8.329 26374990
124.026 4.100 8.328 122650960
124.027 8.478 8.329 24032444
124.036 5.189 8.040 2741656
124.037 3.073 8.330 3677888
124.060 4.562 8.314 3738785
124.073 2.280 8.034 9425513
124.077 6.900 8.035 10051170
124.078 7.755 8.031 2307068
124.086 -0.452 8.035 8721247
124.090 4.246 8.034 27768412
124.096 8.042 8.034 50684408
124.140 0.975 8.034 3671484
124.650 3.836 8.332 24611276
124.650 8.560 8.332 5906104
124.655 3.993 8.332 22288234
124.658 1.317 8.333 20414528
124.662 7.862 8.332 61394468
124.662 0.771 8.331 39478840
124.666 7.093 8.334 5236334
124.670 8.332 8.331 274877248
124.670 1.775 8.332 60504364
124.674 3.198 8.331 9805419
124.683 4.165 8.330 10427363
124.770 4.471 8.325 3563965
125.621 3.183 8.393 45924036
125.635 4.414 8.386 31304506
125.638 4.608 8.393 104641248
125.664 4.797 8.395 156085408
125.664 8.394 8.395 2618651136
125.942 6.746 9.232 4778306
125.948 4.417 9.238 2969882
125.954 0.728 9.232 6598722
125.965 5.027 9.232 8512055
125.965 1.348 9.234 4037891
125.973 9.237 9.234 118256312
125.974 1.091 9.234 27125424
125.976 2.966 9.232 6249885
125.977 5.492 9.233 41074448
125.979 2.209 9.233 5466134
125.980 9.690 9.232 7667504
126.084 2.267 9.488 9681909
126.086 8.568 9.488 5532415
126.092 4.776 9.489 33364672
126.094 9.488 9.489 96072320
126.094 3.205 9.491 4905482
126.095 0.817 9.487 9615525
126.097 7.014 9.488 11980144
126.101 0.697 9.489 21351186
126.112 1.997 9.486 4150021
126.139 3.840 9.488 5028014
126.657 4.240 8.467 7657132
126.658 0.787 8.465 4029529
126.661 -0.318 8.470 6342533
126.662 8.473 8.468 64609116
126.665 3.756 8.468 3924850
126.668 1.240 8.467 12775582
126.670 7.397 8.472 10675686
126.675 4.522 8.467 3665160
126.676 4.952 8.469 17168128
126.690 1.451 8.469 9158141
127.140 3.606 8.820 3139610
127.149 7.559 8.818 3944175
127.173 1.480 8.820 43328696
127.174 1.765 8.819 18596776
127.177 1.654 8.820 34425200
127.179 8.827 8.819 257075152
127.180 4.656 8.820 91534496
127.194 3.912 8.821 7497203
127.421 0.928 8.070 5140820
127.485 1.537 8.069 4822720
127.499 1.405 8.069 11364868
127.508 8.072 8.068 69049464
127.509 4.339 8.069 7189116
127.510 2.033 8.069 15335144
127.515 4.676 8.068 27592360
127.516 0.797 8.067 19035998
127.538 4.770 8.067 8780336
128.028 7.410 9.913 13603385
128.029 3.020 9.913 2686132
128.029 -0.166 9.913 2347138
128.030 9.912 9.913 155658224
128.031 7.142 9.913 26342494
128.037 -0.452 9.914 5406470
128.047 5.153 8.046 2023977
128.062 8.060 8.051 10845791
128.062 8.060 8.051 10845791
128.064 8.294 8.050 964656
128.066 1.360 8.052 2718170
128.080 4.334 8.058 4159270
128.080 0.838 8.054 3059806
128.088 3.193 9.903 2113192
128.406 1.444 9.022 3462841
128.430 2.302 9.026 18130046
128.430 7.007 9.026 3763760
128.431 3.981 9.025 35043652
128.434 2.035 9.025 63350120
128.435 9.028 9.025 341126048
128.436 4.994 9.025 88328920
128.439 8.507 9.025 29185762
128.441 3.276 9.025 7915984
128.444 4.804 9.024 6689954
128.468 7.387 9.024 5132690
129.561 3.342 10.299 4290498
129.561 2.783 10.298 8720382
129.564 10.309 10.300 202339600
129.566 2.854 10.301 9502791
129.571 7.472 10.300 45980964
129.574 3.006 10.301 7451446
129.585 0.748 10.300 5106156
129.592 4.798 10.296 3034544
129.623 1.155 10.300 3716149
130.024 7.771 8.539 2352297
130.069 1.289 8.541 6724567
130.075 7.913 8.544 1415011
130.080 0.755 8.544 7526748
130.081 1.614 8.542 4935082
130.085 3.551 8.542 22161000
130.086 4.733 8.542 20021206
130.087 1.165 8.542 62675920
130.087 4.419 8.542 62780624
130.087 8.547 8.542 194704448
130.091 0.485 8.542 9419583
130.096 1.813 8.541 6516166
130.100 2.461 8.542 9425378
130.103 8.695 8.542 19213674
130.107 9.026 8.540 7173150
130.154 7.385 10.298 62796232
130.161 7.620 10.297 23641864
130.169 0.727 10.296 3574986
130.173 4.997 10.299 2487039
130.185 1.024 8.543 1679704
130.413 7.230 9.694 2601976
130.415 1.629 9.693 2802669
130.436 2.201 9.690 7567084
130.440 5.198 9.692 20524722
130.447 9.695 9.692 44509940
130.456 1.350 9.692 10190666
130.468 1.078 9.692 5764618
130.468 0.725 9.692 8594694
130.478 9.247 9.694 3697831
;
loop_
_Spectral_dim.ID
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 N 15 N 1 2590.674 . . . 16186 1
2 H 1 H 2 10000.000 . . . 16186 1
3 H 1 HN 1 12755.102 . . . 16186 1
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
6 $SPARKY . . 16186 1
stop_
save_
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 16186
_Spectral_peak_list.ID 2
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $NC_sample
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 6
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY (aliph)'
_Spectral_peak_list.Number_of_spectral_dimensions .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
w1 w2 w3 Data Height
13.138 1.029 0.758 94945392
13.142 2.903 0.762 17588412
13.148 7.290 0.762 14721810
13.173 4.009 0.766 27391374
13.176 8.295 0.759 11504588
13.199 1.482 0.764 162393168
13.203 0.761 0.762 6176378880
13.207 7.830 0.763 19103030
13.218 3.753 0.763 9425718
13.236 2.006 0.763 96300944
13.256 4.783 0.761 50043036
13.305 4.150 0.758 33997428
13.369 1.726 0.759 198351296
13.394 7.433 0.757 -5548070
13.422 8.165 0.758 30156280
13.445 3.518 0.757 65390852
13.478 2.544 0.755 5844236
13.891 7.648 0.942 5559626
13.893 1.723 0.593 7124382
13.899 7.222 0.944 10529558
13.913 6.924 0.944 17761326
13.918 2.125 0.944 118648200
13.919 1.641 0.944 57674692
13.922 8.390 0.944 32334440
13.922 0.947 0.944 2485936384
13.923 1.989 0.944 97990112
13.927 7.083 0.944 20445286
13.930 3.270 0.944 51982472
13.932 3.911 0.944 56100824
13.956 8.688 0.947 6981793
13.957 4.793 0.590 5581512
13.985 6.671 0.593 9827973
13.989 0.107 0.593 115592568
13.990 0.823 0.593 287047808
13.991 0.590 0.592 2837230336
13.993 1.452 0.593 78777584
13.993 1.211 0.593 129616608
13.994 6.028 0.598 -4920512
13.996 7.249 0.593 15263540
13.996 4.047 0.593 20510328
14.021 3.557 0.592 11704957
14.061 8.280 0.595 5886693
14.249 2.269 0.102 9076988
14.272 8.801 0.007 10706418
14.299 6.511 0.008 7729032
14.316 3.554 0.103 9469555
14.316 0.556 0.103 235103872
14.317 1.737 0.102 55695720
14.319 0.105 0.103 1916912640
14.319 0.959 0.103 141996336
14.324 1.212 0.102 23586038
14.326 1.987 0.104 12840521
14.327 7.917 0.009 5339170
14.328 3.217 0.101 5140244
14.329 4.845 0.007 10939180
14.333 7.201 0.103 13479067
14.335 7.023 0.105 11366912
14.338 1.430 0.101 17098358
14.340 6.840 0.011 12474994
14.343 0.991 0.010 123285144
14.343 4.487 0.101 10630811
14.348 0.014 0.009 1854284416
14.349 0.509 0.010 271582560
14.351 1.713 0.010 47983472
14.352 1.284 0.010 58421896
14.352 3.339 0.008 6664495
14.365 6.672 0.100 8068415
14.369 -0.142 0.009 27145464
14.403 2.480 0.008 6178594
14.406 2.653 0.008 6181791
14.414 4.471 0.005 5699642
14.425 1.965 0.007 11129639
14.447 7.469 0.111 -5240552
14.734 6.925 0.335 10287223
14.752 9.093 0.760 10721007
14.753 2.181 0.336 12122004
14.759 5.549 0.335 5417861
14.759 0.762 0.760 3360695040
14.762 1.956 0.759 75566776
14.763 0.429 0.761 51400900
14.763 8.580 0.760 16097850
14.764 0.144 0.337 78484096
14.766 1.103 0.761 99440480
14.770 1.374 0.761 128002464
14.770 1.289 0.337 81800616
14.771 0.338 0.337 1359414272
14.771 0.774 0.337 143200480
14.771 4.628 0.760 17850614
14.773 1.038 0.336 41894980
14.774 2.002 0.338 18394152
14.775 1.452 0.337 72281976
14.788 4.013 0.758 5742498
14.798 4.784 0.756 13529392
14.798 6.429 0.336 19292122
16.601 7.969 1.025 4702389
16.627 0.109 0.799 10608253
16.642 8.277 0.798 83833384
16.644 4.046 0.798 83212848
16.644 1.178 0.798 158657888
16.644 4.046 0.798 83212848
16.645 0.800 0.798 4443497984
16.646 1.453 0.798 146314496
16.649 7.251 0.797 21622526
16.650 4.181 0.801 11539064
16.652 2.686 0.798 22284348
16.654 2.912 0.798 15233143
16.658 4.543 0.797 11101770
16.664 3.556 0.799 7904587
16.668 1.772 0.803 10738824
16.682 5.671 1.024 17986182
16.708 4.235 1.026 43545132
16.709 0.338 1.027 24897954
16.709 6.710 1.026 18578834
16.710 6.416 1.026 66311568
16.721 2.188 1.025 132002280
16.803 1.933 0.803 5643926
16.825 2.802 1.878 39755476
16.831 4.797 1.879 60506952
16.835 0.584 1.876 27137296
16.840 1.510 1.877 18577984
16.848 3.177 1.878 27991062
16.849 1.090 1.878 110624776
16.849 2.547 1.879 63123352
16.850 2.123 1.879 96254280
16.851 1.722 1.877 119460392
16.853 3.519 1.878 73957744
16.853 1.877 1.878 5563400192
16.857 4.146 1.879 61823328
16.861 0.836 1.878 129499656
16.863 5.673 1.877 54025068
16.867 6.924 1.877 21780974
16.873 1.309 1.879 13235286
16.873 2.299 1.884 16890496
16.882 8.298 1.878 20708978
16.923 6.719 1.874 11528814
17.139 8.695 1.040 27685406
17.166 3.870 0.405 7140217
17.181 3.731 1.032 50616768
17.216 4.803 0.403 8871929
17.217 2.269 0.409 9824279
17.219 6.839 0.407 10373161
17.221 3.213 0.410 5002860
17.224 1.984 1.042 118555160
17.226 0.404 0.406 2338524672
17.229 7.201 0.406 27452704
17.229 2.655 0.405 9156160
17.230 1.734 0.406 108649024
17.231 4.488 0.406 108265088
17.231 0.089 0.406 142938960
17.234 4.032 0.404 6169594
17.237 4.365 1.040 14056883
17.239 7.024 0.406 9392920
17.247 6.172 0.408 -5041152
17.248 1.035 1.034 3728687872
17.249 1.441 0.407 6384758
17.254 7.081 1.037 14460824
17.257 3.284 1.038 72690440
17.269 2.320 1.034 28202936
17.281 3.916 1.031 51732608
17.290 4.793 1.024 23066046
17.381 3.725 1.017 94438968
17.505 3.874 0.843 9002116
17.530 8.528 0.829 9861689
17.565 4.152 0.842 31969498
17.575 1.029 0.854 228915568
17.609 2.789 0.852 5656848
17.612 8.171 0.852 20619920
17.619 4.793 0.846 12280626
17.625 0.851 0.852 3436515072
17.628 1.851 0.852 88864248
17.656 2.178 0.854 42704704
17.658 1.652 0.854 109293088
17.662 6.420 0.858 8507109
17.665 0.340 0.855 56109172
17.666 3.514 0.855 91214584
17.670 5.670 0.852 15696518
17.689 6.928 0.850 9955671
17.694 8.934 0.855 17750548
17.703 8.730 0.862 7343723
17.713 9.028 1.167 7545326
17.764 4.424 1.165 27412048
17.773 3.554 1.165 156586736
17.774 8.695 1.165 56191824
17.774 4.198 1.166 14944880
17.775 1.167 1.165 2826011136
17.775 0.498 1.165 73438200
17.776 7.251 1.165 15857724
17.778 8.553 1.165 112235560
17.780 0.772 1.165 188637904
17.786 8.280 1.164 12901065
17.789 7.775 1.164 17766250
17.794 4.725 1.166 16627935
18.016 6.508 1.719 18234350
18.016 0.021 1.719 14493639
18.020 5.545 1.720 9086233
18.021 8.795 1.720 11501195
18.021 4.429 1.720 11994298
18.022 5.210 1.719 7787051
18.024 3.091 1.719 18631736
18.024 2.475 1.719 45467828
18.024 0.527 1.719 169872496
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60.487 2.690 4.041 18059216
60.493 0.818 4.042 98060808
60.499 7.254 4.042 26767938
60.499 8.277 4.042 140418592
60.502 1.451 4.041 27253648
60.518 4.043 4.042 474379584
60.689 1.953 4.175 7839704
60.708 9.712 4.679 4566365
60.724 3.841 4.173 160203008
60.728 8.333 4.173 15413378
60.735 7.101 4.175 13958559
60.735 2.929 4.173 18632222
60.741 1.627 4.173 61875492
60.744 7.869 4.173 57019924
60.744 4.174 4.173 699898304
60.764 4.270 4.269 410761376
60.785 6.841 4.271 14489169
60.792 0.808 4.680 65236416
60.805 8.076 4.679 42355468
60.807 2.027 4.678 15674574
60.813 1.621 4.272 15878092
60.815 1.428 4.271 84227400
60.818 4.684 4.680 130712384
60.837 4.805 4.272 8256808
60.840 7.238 4.270 18438924
60.857 1.694 4.074 6621860
60.887 2.150 4.270 5658330
60.904 5.341 4.270 6883980
60.946 3.834 4.179 77699008
60.946 1.629 4.175 37154740
60.946 4.193 4.179 501332640
60.946 1.409 4.175 17458844
60.946 8.556 4.179 9479340
60.963 1.816 4.262 8871136
61.014 1.784 4.184 24029744
61.239 8.557 4.194 13453372
61.245 4.511 4.200 24171752
61.245 1.445 4.192 26692816
61.288 1.240 4.199 16139391
61.293 0.692 4.200 23199374
61.329 7.393 4.199 8575165
61.571 5.844 4.657 10046815
61.574 1.659 4.648 7944798
61.600 1.485 4.651 52999368
61.602 4.655 4.652 265325760
61.602 8.825 4.651 94406344
61.603 3.917 4.653 18381284
61.604 7.563 4.653 19005398
61.660 8.360 3.993 10230773
61.664 1.631 3.989 22335798
61.675 2.865 3.986 25105926
61.695 3.990 3.988 311429152
61.695 8.438 3.988 8804039
61.702 8.007 4.255 9648867
61.706 3.188 3.986 39600296
61.710 6.716 3.986 35844652
61.719 8.055 3.989 39039036
61.724 4.255 4.254 195352480
61.778 1.136 4.257 21772758
61.785 8.322 4.256 25792326
61.857 8.538 3.537 5753894
61.903 1.836 3.536 8857908
61.910 3.918 3.538 6762170
61.916 2.004 3.535 7276517
61.952 8.699 3.537 4054711
61.952 3.540 3.537 244133328
61.953 1.084 3.537 91369760
61.957 8.305 3.536 78169384
61.962 4.252 3.538 10641127
61.986 1.485 3.539 8671876
61.987 4.779 3.538 10066029
62.015 2.247 3.537 8854151
62.032 7.234 3.537 5671652
62.223 4.330 4.327 311792576
62.243 4.804 4.330 8889456
62.246 2.200 4.328 22214614
62.257 0.851 4.060 30577464
62.266 8.277 4.325 4348052
62.284 4.032 4.036 421656992
62.284 4.054 4.326 73381776
62.284 4.325 4.040 42798300
62.298 8.043 4.329 25481934
62.298 7.960 4.327 19827148
62.346 0.817 4.608 9881617
62.349 4.784 4.606 17908240
62.353 4.609 4.605 240637488
62.356 2.304 4.606 50118956
62.362 8.115 4.606 44772964
62.363 1.117 4.605 11453087
62.369 3.101 4.607 22401758
62.372 1.948 4.606 46606720
62.453 3.924 4.607 7964164
62.517 4.126 4.126 294994144
62.546 1.880 4.127 20016320
62.558 8.281 4.129 25901648
62.560 3.175 4.127 41072200
62.564 8.059 4.123 11139972
62.570 3.119 4.127 39873276
62.572 6.929 4.127 27402876
62.573 2.865 4.127 23024420
62.593 8.692 4.120 2696199
62.594 4.054 4.036 875945088
62.597 1.037 4.130 7695642
62.634 2.207 4.030 8297670
62.663 1.863 4.044 16702593
62.721 4.798 4.028 19534874
62.820 4.442 3.843 36577780
62.835 3.842 3.842 2796504576
62.836 4.797 3.842 46957252
62.842 4.173 3.842 224414656
62.918 4.046 4.033 763909888
62.984 4.794 3.215 24158748
62.985 2.029 3.211 18863936
62.987 9.162 3.215 15255902
62.987 6.847 3.207 3264130
62.992 3.213 3.213 100113400
62.997 2.843 3.216 15094782
63.016 5.309 3.216 14746150
63.064 7.244 3.216 3419652
63.071 4.508 3.218 2190042
63.108 4.736 4.420 47560452
63.109 2.146 4.417 12546911
63.110 2.463 4.420 47770436
63.111 8.551 4.420 89698744
63.111 9.029 4.418 12894816
63.112 1.826 4.419 29748790
63.116 1.239 4.420 26364022
63.116 4.421 4.421 318332736
63.116 8.702 4.420 7317226
63.124 1.627 4.419 18569260
63.214 1.935 4.410 20188804
63.217 4.076 4.069 1388970624
63.221 2.779 4.077 6600140
63.262 4.588 4.073 13092553
63.323 3.613 4.080 5816081
63.334 4.794 4.073 68334568
63.337 8.659 4.073 19385790
63.343 9.156 4.073 52744004
63.347 4.387 4.072 163064112
63.566 3.603 4.192 20263736
63.577 1.951 4.194 37821236
63.585 7.294 4.193 21328506
63.589 2.261 4.193 72768624
63.591 8.291 4.192 124963088
63.591 8.291 4.192 124963088
63.715 4.196 4.193 840361536
63.756 1.758 4.194 93196208
63.766 3.084 4.195 6732390
63.899 2.238 4.387 130451816
63.899 7.750 4.388 21627834
63.901 4.388 4.388 921263360
63.901 1.866 4.387 76888576
63.909 3.679 4.387 18495638
63.914 1.724 4.386 22464578
64.226 1.453 4.520 10975351
64.247 3.836 4.520 7459188
64.247 9.159 4.519 8215410
64.255 3.834 4.256 4429168
64.256 1.299 4.519 18015618
64.260 4.521 4.262 36988528
64.263 4.250 4.520 44528712
64.274 7.800 4.517 16396490
64.276 4.522 4.521 42419016
64.281 7.399 4.521 16552681
64.988 4.377 4.374 454499680
65.003 2.222 4.375 90852960
65.009 8.860 4.374 9257416
65.011 3.280 4.372 13298873
65.012 1.897 4.374 78868336
65.017 4.796 4.375 33350834
65.028 3.989 4.377 10346000
65.031 8.309 4.373 6576609
65.032 3.516 4.372 8861007
65.058 4.568 4.205 11041277
65.072 7.941 4.201 7513186
65.106 4.204 4.203 397642784
65.108 0.753 4.204 66218508
65.121 1.957 4.203 78443056
65.133 7.080 4.204 10097562
65.139 3.949 4.203 15153348
65.165 0.422 4.210 7674252
65.194 9.616 4.202 9070573
65.842 0.793 3.836 41247840
65.842 7.795 3.836 7583732
65.842 2.185 3.837 41501936
65.845 8.735 3.839 17046060
65.846 4.244 3.836 15518393
65.851 1.047 3.836 41093256
65.853 1.276 3.837 93171632
65.869 7.962 3.841 6850311
65.876 4.521 3.837 14774063
66.050 3.827 3.825 973693120
66.431 8.707 3.283 5798146
66.432 7.066 3.288 11137870
66.435 1.986 3.289 21679200
66.438 3.287 3.286 287789824
66.438 1.042 3.287 109895760
66.440 8.383 3.286 25568806
66.442 7.240 3.288 14685098
66.449 6.923 3.289 11710204
66.449 2.127 3.287 26528336
66.653 1.030 3.510 8869651
66.701 2.189 3.513 7518978
66.747 1.845 3.510 41720836
66.760 7.943 3.512 15301461
66.762 3.512 3.510 353797824
66.767 0.719 3.510 100314904
66.768 8.934 3.510 6303269
66.776 8.167 3.512 23914232
66.783 1.354 3.511 12076918
66.925 8.730 3.506 2900458
67.801 0.423 3.203 25646588
67.821 1.323 3.203 11206509
67.828 3.201 3.202 526061440
67.831 0.769 3.202 130583648
67.842 7.079 3.203 38047952
67.845 7.877 3.200 10623196
67.849 1.852 3.203 54877688
67.854 8.337 3.204 11307407
67.876 8.550 3.203 10071401
69.805 4.799 4.167 14879516
69.814 8.005 4.164 9708944
69.835 1.136 4.165 48122184
69.853 4.169 4.167 315921344
69.858 8.325 4.169 6863803
70.874 5.341 4.463 8885111
70.879 4.790 4.463 16076648
70.885 2.135 4.463 18195262
70.896 7.115 4.463 15533422
70.899 1.855 4.463 21817142
70.899 1.427 4.463 72914704
70.899 2.881 4.463 5055608
70.900 4.465 4.463 197398384
70.903 4.276 4.463 50696940
70.910 1.617 4.462 12864216
70.924 2.307 3.907 5879362
70.946 5.838 3.908 11249426
70.969 1.021 3.911 29627634
70.970 8.819 3.908 7253585
70.971 6.900 3.912 19828494
70.973 4.794 3.910 24841048
70.976 1.486 3.911 74126080
70.978 7.558 3.911 36735752
70.979 3.914 3.911 275832288
70.986 8.645 3.912 23220590
70.989 4.662 3.909 25673904
;
loop_
_Spectral_dim.ID
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 C 13 C 1 14705.883 . . . 16186 2
2 H 1 H 2 10000.000 . . . 16186 2
3 H 1 HC 1 12755.102 . . . 16186 2
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
6 $SPARKY . . 16186 2
stop_
save_
save_spectral_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_3
_Spectral_peak_list.Entry_ID 16186
_Spectral_peak_list.ID 3
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $NC_sample
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 22
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY (arom)'
_Spectral_peak_list.Number_of_spectral_dimensions .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
w1 w2 w3 Data Height
114.399 9.914 7.410 5202450
114.527 7.412 7.409 81167016
114.528 7.616 7.618 81952864
114.530 7.171 7.411 15457329
114.537 10.310 7.618 5166068
114.567 6.880 7.621 7605332
114.961 0.844 5.672 5477214
115.000 4.236 5.668 13139052
115.002 1.880 5.668 7364778
115.007 4.800 5.670 11439541
115.008 1.030 5.666 10570064
115.021 5.669 5.671 134380928
115.023 8.937 5.659 4326870
115.970 6.372 6.039 5303108
116.103 4.794 6.039 15986924
116.134 1.057 6.031 3645288
116.139 6.038 6.036 118173440
116.145 6.179 6.036 27473876
116.197 1.255 6.035 12571283
116.360 1.259 6.395 3902060
116.439 6.395 6.388 89872480
116.768 4.796 6.393 19791902
116.780 1.031 6.394 12499165
116.786 6.396 6.392 174729008
116.818 6.714 6.392 31189354
116.852 6.041 6.393 7054680
116.894 1.257 6.395 7336292
116.939 6.836 6.510 5447154
117.037 7.046 6.738 6352720
117.152 6.397 6.395 105424080
117.243 6.745 6.328 5436502
117.287 6.046 6.395 3704588
117.290 1.030 6.388 6204304
117.453 3.591 6.668 3706390
117.551 0.439 6.517 6871836
117.948 1.697 6.517 7756878
117.960 0.438 6.513 11855225
117.970 6.841 6.513 43687240
117.996 3.587 6.663 6786977
118.014 2.042 6.668 6652323
118.015 1.407 6.669 9152635
118.051 7.015 6.672 43975116
118.055 0.919 6.671 11735426
118.114 4.796 6.729 16511724
118.126 7.038 6.736 60987776
118.343 6.324 6.325 170158656
118.389 4.795 6.324 15239665
120.225 4.465 7.111 6037644
120.228 3.923 7.122 3011372
120.238 2.135 7.114 3991850
120.240 4.797 7.121 13127855
120.262 3.386 7.119 3012442
120.268 8.556 7.100 5623013
120.276 7.849 7.848 7434812
120.471 6.855 6.844 8598502
120.719 4.456 7.111 4907088
120.756 2.140 7.111 5611724
120.762 4.794 7.114 8815939
120.893 7.286 6.851 5291418
120.916 7.847 7.846 15965295
120.934 6.851 6.847 12675352
120.951 7.850 6.666 7689078
120.969 6.661 7.844 9363475
121.024 6.671 6.666 18496508
121.074 0.721 6.666 3475249
122.250 6.958 6.971 5302976
122.283 7.378 7.124 3106248
122.386 0.886 7.126 6145758
122.673 0.864 7.117 4188998
123.851 7.149 7.136 8802563
124.467 3.181 7.141 3424196
124.521 1.562 7.143 5538372
124.528 0.892 6.895 3074595
124.560 7.145 7.145 67482392
124.563 9.923 7.142 11342134
124.591 -0.443 7.125 3323433
124.650 7.611 6.882 4964068
124.660 6.879 6.884 27859454
124.688 6.649 6.892 6476486
125.090 7.146 7.150 82942920
125.095 9.922 7.143 10488869
125.108 -0.449 7.142 4033061
125.701 10.302 7.389 3674133
126.253 10.308 7.390 27084266
126.255 7.387 7.388 165767136
126.264 4.999 7.386 9857578
126.471 3.269 7.380 3021420
126.738 10.305 7.391 25231918
126.745 7.386 7.388 167954128
126.750 4.998 7.388 8207525
127.007 10.308 7.473 9512701
127.021 1.109 7.492 2775158
127.025 3.351 7.478 4092890
127.026 7.470 7.472 49409232
127.061 3.004 7.471 11009797
127.078 2.865 7.474 9451528
127.477 3.008 7.474 9200971
127.492 7.470 7.474 46194224
127.500 2.867 7.474 9717336
127.500 10.310 7.472 9367941
127.838 6.331 6.329 70740360
127.849 1.326 6.331 13385528
127.852 6.947 6.316 3686890
128.280 1.065 7.077 19010456
128.630 7.064 7.065 152565920
128.751 6.604 7.065 6640022
129.601 6.442 6.431 5794372
130.101 4.427 6.757 3426372
130.178 3.929 6.760 4681736
130.213 2.970 6.764 4872934
130.215 6.324 6.759 17689774
130.227 6.761 6.759 72278072
130.262 5.499 6.754 6471450
130.366 4.804 6.754 3185147
130.376 1.241 7.066 3366616
130.384 1.321 6.435 3609584
130.447 1.447 7.067 4329426
130.481 7.060 7.062 276603328
130.484 6.611 7.062 33465202
130.686 0.347 6.443 4016825
130.689 1.350 7.237 3261016
130.705 6.438 6.435 48203868
130.870 1.336 6.913 2717952
130.904 1.052 6.926 7859424
130.988 1.353 7.231 3018188
131.028 6.916 7.233 11164999
131.098 7.234 7.234 100698784
131.124 1.063 7.234 16850042
131.192 2.187 7.235 4732285
131.224 3.151 6.938 5158614
131.731 1.271 6.707 2678417
131.772 1.036 6.919 8342618
131.804 3.180 6.930 4985822
131.819 3.257 6.607 3467546
131.859 8.052 6.905 3651186
131.863 6.907 6.910 97890432
131.872 1.483 6.900 7815467
131.911 1.241 6.600 3662708
131.948 2.305 6.898 9907052
132.009 1.342 6.907 5695426
132.092 2.219 6.609 8433375
132.101 1.435 6.611 5149182
132.152 3.402 6.601 4227728
132.158 8.051 6.907 3411276
132.176 2.862 6.710 12134989
132.178 3.987 6.715 10845546
132.179 4.750 6.608 9275420
132.185 6.605 6.608 220037360
132.199 7.057 6.608 50795064
132.230 3.186 6.713 10845759
132.235 6.712 6.712 146803728
132.248 1.803 6.607 9177179
132.256 6.397 6.714 31393066
132.301 1.031 6.198 3951315
132.329 4.521 6.195 9401077
132.332 6.780 6.192 4775506
132.359 1.036 6.716 10028099
132.400 3.714 6.192 8223424
132.467 3.071 6.192 7624932
132.484 6.191 6.194 89450712
132.509 6.046 6.194 27035346
132.729 4.801 6.842 2663534
133.146 0.441 6.841 6592385
133.147 0.015 6.842 3996898
133.164 1.717 6.842 10778013
133.175 6.511 6.842 30256466
133.183 4.463 6.839 6909248
133.193 2.642 6.847 9577670
133.214 2.466 6.840 8858964
133.260 7.039 7.040 354982688
133.262 6.723 7.037 53049268
133.264 9.486 7.015 6794382
133.325 3.215 7.020 8016173
133.387 4.806 7.022 13187423
133.462 2.262 7.017 9421736
;
loop_
_Spectral_dim.ID
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 C 13 'C arom' 1 5988.024 . . . 16186 3
2 H 1 H 2 10000.000 . . . 16186 3
3 H 1 HC 1 12755.102 . . . 16186 3
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
6 $SPARKY . . 16186 3
stop_
save_
save_spectral_peak_list_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_4
_Spectral_peak_list.Entry_ID 16186
_Spectral_peak_list.ID 4
_Spectral_peak_list.Sample_ID 3
_Spectral_peak_list.Sample_label $NC_sample_in_D2O
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 8
_Spectral_peak_list.Experiment_name '4D CC NOESY'
_Spectral_peak_list.Number_of_spectral_dimensions .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
w1 w2 w3 w4 Data Height
13.617 28.541 -0.085 0.944 -14472
13.617 28.908 1.625 0.676 -160341
13.617 24.724 1.322 0.707 -214979
13.617 28.876 1.617 0.099 -42593
13.617 28.876 1.617 0.099 -42593
13.617 28.908 1.625 0.676 -160341
13.617 32.864 1.539 0.055 -58480
13.617 32.864 1.539 0.055 -58480
13.617 32.799 1.548 0.547 -79381
13.617 32.864 1.539 0.055 -58480
13.617 32.775 1.541 0.613 -57649
13.617 27.832 0.943 0.091 -18351
13.617 33.986 0.768 0.769 -10395899
13.617 16.827 1.883 0.766 115199
13.617 19.106 4.774 0.773 64158
13.617 13.983 3.524 0.765 78747
13.617 30.578 0.710 0.764 208866
13.617 32.796 1.551 0.744 -56861
13.617 32.796 1.551 0.744 -56861
13.617 16.344 0.219 0.773 -36233
13.617 17.288 0.431 0.754 31151
13.617 13.617 2.025 0.767 -69780
13.617 28.116 0.863 0.771 131898
13.617 23.856 0.739 0.742 -2140267
13.617 17.611 0.864 0.770 395401
13.617 18.724 0.694 0.776 260466
13.617 18.555 1.128 0.766 58335
13.617 19.073 1.353 0.734 -104509
13.617 16.059 0.770 0.764 71642
13.617 18.386 0.126 0.738 -131934
13.617 21.770 1.710 0.760 -52475
13.617 21.421 1.546 0.725 18636
13.617 23.601 1.492 0.762 -32443
13.617 25.278 3.523 0.764 71944
13.617 26.150 3.194 0.758 -21147
13.617 30.577 1.770 0.765 158687
13.617 31.791 2.708 0.728 -11250
13.617 31.257 2.795 0.776 16769
13.617 31.244 2.785 0.780 17480
13.617 31.029 2.549 0.757 16256
13.617 29.316 3.098 3.120 -615707
13.617 22.506 3.144 3.149 206134
13.617 32.866 1.531 6.722 -400086
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31.747 28.902 1.616 2.249 -82451
31.754 25.053 0.864 1.495 -74858
31.759 31.755 2.253 1.716 212383
31.759 16.278 0.216 7.486 118053
31.773 21.085 0.866 1.492 -77036
31.776 29.874 3.629 1.712 -55706
31.781 31.783 1.753 2.259 233716
31.790 18.569 3.735 1.720 118399
31.809 27.565 1.938 1.720 128821
31.815 27.802 1.076 0.432 33109
31.816 22.142 4.194 1.727 94050
31.843 24.877 0.863 1.024 39792
31.843 24.877 0.863 1.024 39792
31.852 21.082 2.873 2.228 32742
31.860 29.892 3.626 1.734 -55596
31.875 29.313 3.128 2.465 -39280
31.905 15.382 3.618 0.435 90703
31.908 23.571 0.095 0.434 88652
31.911 31.911 0.399 0.433 309511
31.919 33.531 4.494 1.713 -74730
31.938 23.611 -0.305 0.432 47312
31.938 31.947 2.472 2.472 557232
31.944 27.727 0.907 0.431 40727
31.981 18.277 4.618 4.100 -39618
31.986 31.982 1.887 1.890 3882907
31.990 31.914 0.913 1.516 46398
31.990 18.068 1.727 1.505 43977
31.993 28.208 1.997 2.466 62883
31.994 31.992 1.830 2.462 138802
31.998 28.320 2.142 2.471 53983
32.005 27.166 1.957 2.244 290946
32.017 32.013 1.735 1.726 2009851
32.019 32.064 0.736 0.734 186804
32.021 32.023 4.103 4.103 800505
32.023 22.357 4.195 0.742 50918
32.023 32.005 1.781 0.733 121151
32.067 29.684 3.638 2.260 -48080
32.069 28.931 1.629 1.512 102687
32.085 32.086 0.482 7.486 539220
32.088 21.880 1.343 5.594 -217633
32.094 24.776 1.302 5.594 -103810
32.098 21.612 4.431 2.466 76553
32.099 32.100 2.253 2.255 1430119
32.105 32.110 2.246 2.249 1360110
32.116 20.212 -0.021 7.487 -73369
32.129 32.721 4.961 5.592 48785
32.154 29.050 1.634 1.725 378358
32.154 29.050 1.634 1.725 378358
32.163 22.754 4.211 1.848 46603
32.173 32.243 3.016 3.024 53780
32.183 20.430 3.537 1.096 123866
32.201 32.195 1.095 1.092 341463
32.223 27.041 1.998 1.089 55109
32.233 22.780 1.114 1.089 77645
32.240 26.947 1.856 1.095 59541
32.250 32.227 1.869 2.242 570078
32.272 16.882 2.919 4.725 182266
32.278 32.233 3.361 3.053 60305
32.278 32.233 3.361 3.053 60305
32.289 32.258 2.228 1.869 594713
32.297 17.588 0.868 5.682 48884
32.316 16.186 4.239 5.684 95195
32.328 32.342 5.674 5.683 687375
32.329 13.934 4.577 3.017 33318
32.331 28.750 3.949 4.763 56328
32.335 16.807 1.887 5.684 111977
32.335 16.679 1.029 5.685 58487
32.343 32.331 4.734 4.739 3932452
32.347 22.344 4.387 1.867 137613
32.353 22.350 4.385 2.242 233253
32.364 26.711 1.733 2.245 65703
32.386 13.798 2.301 2.461 -38636
32.453 24.853 1.442 1.786 491165
32.455 24.948 1.416 1.740 467807
32.607 32.528 4.692 1.777 -68420
32.607 24.940 1.399 1.645 470255
32.632 32.598 5.597 5.599 607722
32.638 21.275 2.900 1.855 -50303
32.661 13.617 1.625 5.340 64073
32.664 32.658 1.758 1.771 2831472
32.687 17.274 3.892 1.627 140788
32.696 14.879 4.239 1.767 148479
32.723 32.728 5.331 5.338 299637
32.738 32.740 4.961 4.964 448595
32.751 14.205 5.007 5.337 -86954
32.771 24.816 1.306 4.964 -150070
32.796 14.897 4.169 1.652 103637
32.800 28.398 3.772 4.756 -33303
32.881 32.873 1.652 1.650 2957429
32.888 28.903 1.623 1.750 444636
32.935 32.894 1.550 5.589 -60901
32.970 32.857 1.549 5.227 -68934
32.976 16.227 0.213 5.666 -43275
32.980 16.499 2.243 1.626 46094
32.984 29.032 1.649 1.635 -474286
32.988 32.859 1.551 5.183 -68391
32.989 32.822 1.545 5.343 -69043
33.012 16.274 0.219 5.568 -38166
33.020 29.227 3.148 2.996 90162
33.025 17.138 1.036 1.648 -93851
33.174 16.317 5.556 5.264 -95873
33.206 24.943 1.401 0.772 -72796
33.228 18.407 0.127 5.264 -102460
33.238 33.191 1.753 1.745 1958041
33.262 23.618 0.750 5.255 -146633
33.296 33.299 5.212 5.209 565891
33.304 18.859 4.249 5.202 -98670
33.317 23.610 0.738 5.214 -147337
33.330 25.139 1.378 5.209 47648
33.359 25.300 1.656 5.203 32804
33.368 20.059 2.595 4.484 57395
33.453 13.829 1.905 0.760 22559
33.506 17.991 1.685 0.747 70729
33.513 27.266 1.011 0.744 -235952
33.534 33.460 1.240 1.232 71399
33.563 33.550 1.798 1.827 1505994
33.571 29.896 3.993 4.488 129795
33.604 27.701 1.973 4.483 -37233
33.617 14.136 4.401 1.831 155901
33.618 14.148 4.407 1.744 141720
33.645 33.693 0.764 6.393 -49438
33.659 26.648 0.711 0.771 -141394
33.662 33.716 0.773 6.370 -47145
33.666 33.670 4.464 4.464 2111379
33.688 33.686 0.764 5.244 -49658
33.697 21.214 3.835 4.456 -48451
33.724 27.172 1.473 4.458 -75827
33.734 16.681 1.882 6.371 16470
33.738 25.073 0.900 4.456 -83687
33.740 22.074 1.706 4.457 76596
33.742 31.784 1.904 0.773 -94763
33.747 22.441 0.790 4.456 -400248
33.747 16.516 4.004 0.771 -58187
33.792 28.027 0.848 0.773 -234566
33.801 22.036 1.546 4.457 90132
33.986 32.820 1.529 5.193 56314
33.986 18.593 1.115 1.721 201172
33.986 18.704 1.255 6.402 81035
33.986 16.728 1.030 6.403 82258
33.986 28.764 -0.280 6.402 -361316
33.986 32.824 1.529 6.365 102370
33.986 33.986 6.399 6.403 1328617
33.986 33.295 6.048 6.405 79161
33.986 25.282 3.521 0.763 -75927
33.986 19.103 4.773 0.772 -95679
33.986 13.828 4.616 0.758 60152
33.986 15.408 4.172 0.768 -50842
33.986 16.863 1.659 0.765 155787
33.986 16.310 2.039 0.773 132867
33.986 13.617 2.025 0.767 65541
33.986 17.579 0.857 0.770 -495530
33.986 18.731 0.694 0.774 -387961
33.986 23.871 0.739 0.742 1656881
33.986 25.157 0.896 0.762 -257857
33.986 21.755 1.710 0.761 60340
33.986 21.963 1.438 0.761 63616
33.986 30.509 0.717 0.766 -225494
33.986 30.576 1.771 0.765 -174289
33.986 18.378 0.126 0.737 101207
33.986 19.079 1.354 0.734 75728
33.986 32.835 1.546 0.746 44465
33.986 14.276 0.098 0.718 82993
33.986 13.825 4.620 0.716 60126
33.986 21.144 2.565 6.400 -23352
33.986 20.181 3.995 6.409 22148
33.986 16.193 4.240 6.402 32524
33.986 17.695 2.205 6.400 -27806
33.986 18.053 2.884 6.404 -15283
33.986 17.039 1.888 6.411 20153
33.986 23.636 0.092 6.396 29148
33.986 27.819 0.921 6.405 40961
33.986 31.823 0.405 6.403 21968
33.986 14.646 0.350 0.767 -30327
33.986 18.378 0.126 0.737 101207
33.986 20.742 2.900 0.771 49142
33.986 18.378 0.126 0.737 101207
33.986 22.514 0.582 0.766 -82510
33.986 31.296 2.788 0.767 -21156
33.986 30.992 2.550 0.762 -18406
;
loop_
_Spectral_dim.ID
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 C 13 C 1 3121.342 . . . 16186 4
2 C 13 C 2 3121.342 . . . 16186 4
3 H 1 H 2 4197.272 . . . 16186 4
4 H 1 H 1 8000.000 . . . 16186 4
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
6 $SPARKY . . 16186 4
stop_
save_