data_16957
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16957
_Entry.Title
;
Solution structure of the voltage-sensing domain of KvAP
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-05-26
_Entry.Accession_date 2010-05-26
_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 Joel Butterwick . A. . 16957
2 Roderick MacKinnon . . . 16957
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
. 'not applicable' 'not applicable' . 16957
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'Ion channel' . 16957
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 3 16957
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 353 16957
'15N chemical shifts' 231 16957
'1H chemical shifts' 233 16957
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
2 . . 2010-10-26 2010-05-26 update BMRB 'update entry citation' 16957
1 . . 2010-09-24 2010-05-26 original author 'original release' 16957
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2KYH 'BMRB Entry Tracking System' 16957
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 16957
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 20851706
_Citation.Full_citation .
_Citation.Title 'Solution structure and phospholipid interactions of the isolated voltage-sensor domain from KvAP.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Mol. Biol.'
_Citation.Journal_name_full 'Journal of molecular biology'
_Citation.Journal_volume 403
_Citation.Journal_issue 4
_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 591
_Citation.Page_last 606
_Citation.Year 2010
_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 Joel Butterwick . A. . 16957 1
2 Roderick MacKinnon . . . 16957 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 16957
_Assembly.ID 1
_Assembly.Name KvAP
_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 'voltage-sensor domain of KvAP' 1 $entity A . yes native no no . . . 16957 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity
_Entity.Sf_category entity
_Entity.Sf_framecode entity
_Entity.Entry_ID 16957
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name KvAP
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
LRGLSDLGGRVRNIGDVMEH
PLVELGVSYAALLSVIVVVV
EYTMQLSGEYLVRLYLVDLI
LVIILWADYAYRAYKSGDPA
GYVKKTLYEIPALVPAGLLA
LIEGHLAGLGLFRLVRLLRF
LRILLIISRGSKFLSAIADA
ADKLVPR
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 147
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 16197.432
_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 1ORQ . "X-Ray Structure Of A Voltage-Dependent Potassium Channel In Complex With An Fab" . . . . . 89.12 223 98.47 99.24 3.73e-79 . . . . 16957 1
2 no PDB 1ORS . "X-Ray Structure Of The Kvap Potassium Channel Voltage Sensor In Complex With An Fab" . . . . . 89.80 132 100.00 100.00 2.14e-82 . . . . 16957 1
3 no PDB 2A0L . "Crystal Structure Of Kvap-33h1 Fv Complex" . . . . . 96.60 241 99.30 100.00 1.60e-88 . . . . 16957 1
4 no PDB 2KYH . "Solution Structure Of The Voltage-Sensing Domain Of Kvap" . . . . . 100.00 147 100.00 100.00 2.32e-93 . . . . 16957 1
5 no DBJ BAA79939 . "voltage-gated potassium channel [Aeropyrum pernix K1]" . . . . . 97.28 295 99.30 100.00 3.42e-89 . . . . 16957 1
6 no SP Q9YDF8 . "RecName: Full=Voltage-gated potassium channel; AltName: Full=KvAP" . . . . . 97.28 295 99.30 100.00 3.42e-89 . . . . 16957 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 . LEU . 16957 1
2 . ARG . 16957 1
3 . GLY . 16957 1
4 . LEU . 16957 1
5 . SER . 16957 1
6 . ASP . 16957 1
7 . LEU . 16957 1
8 . GLY . 16957 1
9 . GLY . 16957 1
10 . ARG . 16957 1
11 . VAL . 16957 1
12 . ARG . 16957 1
13 . ASN . 16957 1
14 . ILE . 16957 1
15 . GLY . 16957 1
16 . ASP . 16957 1
17 . VAL . 16957 1
18 . MET . 16957 1
19 . GLU . 16957 1
20 . HIS . 16957 1
21 . PRO . 16957 1
22 . LEU . 16957 1
23 . VAL . 16957 1
24 . GLU . 16957 1
25 . LEU . 16957 1
26 . GLY . 16957 1
27 . VAL . 16957 1
28 . SER . 16957 1
29 . TYR . 16957 1
30 . ALA . 16957 1
31 . ALA . 16957 1
32 . LEU . 16957 1
33 . LEU . 16957 1
34 . SER . 16957 1
35 . VAL . 16957 1
36 . ILE . 16957 1
37 . VAL . 16957 1
38 . VAL . 16957 1
39 . VAL . 16957 1
40 . VAL . 16957 1
41 . GLU . 16957 1
42 . TYR . 16957 1
43 . THR . 16957 1
44 . MET . 16957 1
45 . GLN . 16957 1
46 . LEU . 16957 1
47 . SER . 16957 1
48 . GLY . 16957 1
49 . GLU . 16957 1
50 . TYR . 16957 1
51 . LEU . 16957 1
52 . VAL . 16957 1
53 . ARG . 16957 1
54 . LEU . 16957 1
55 . TYR . 16957 1
56 . LEU . 16957 1
57 . VAL . 16957 1
58 . ASP . 16957 1
59 . LEU . 16957 1
60 . ILE . 16957 1
61 . LEU . 16957 1
62 . VAL . 16957 1
63 . ILE . 16957 1
64 . ILE . 16957 1
65 . LEU . 16957 1
66 . TRP . 16957 1
67 . ALA . 16957 1
68 . ASP . 16957 1
69 . TYR . 16957 1
70 . ALA . 16957 1
71 . TYR . 16957 1
72 . ARG . 16957 1
73 . ALA . 16957 1
74 . TYR . 16957 1
75 . LYS . 16957 1
76 . SER . 16957 1
77 . GLY . 16957 1
78 . ASP . 16957 1
79 . PRO . 16957 1
80 . ALA . 16957 1
81 . GLY . 16957 1
82 . TYR . 16957 1
83 . VAL . 16957 1
84 . LYS . 16957 1
85 . LYS . 16957 1
86 . THR . 16957 1
87 . LEU . 16957 1
88 . TYR . 16957 1
89 . GLU . 16957 1
90 . ILE . 16957 1
91 . PRO . 16957 1
92 . ALA . 16957 1
93 . LEU . 16957 1
94 . VAL . 16957 1
95 . PRO . 16957 1
96 . ALA . 16957 1
97 . GLY . 16957 1
98 . LEU . 16957 1
99 . LEU . 16957 1
100 . ALA . 16957 1
101 . LEU . 16957 1
102 . ILE . 16957 1
103 . GLU . 16957 1
104 . GLY . 16957 1
105 . HIS . 16957 1
106 . LEU . 16957 1
107 . ALA . 16957 1
108 . GLY . 16957 1
109 . LEU . 16957 1
110 . GLY . 16957 1
111 . LEU . 16957 1
112 . PHE . 16957 1
113 . ARG . 16957 1
114 . LEU . 16957 1
115 . VAL . 16957 1
116 . ARG . 16957 1
117 . LEU . 16957 1
118 . LEU . 16957 1
119 . ARG . 16957 1
120 . PHE . 16957 1
121 . LEU . 16957 1
122 . ARG . 16957 1
123 . ILE . 16957 1
124 . LEU . 16957 1
125 . LEU . 16957 1
126 . ILE . 16957 1
127 . ILE . 16957 1
128 . SER . 16957 1
129 . ARG . 16957 1
130 . GLY . 16957 1
131 . SER . 16957 1
132 . LYS . 16957 1
133 . PHE . 16957 1
134 . LEU . 16957 1
135 . SER . 16957 1
136 . ALA . 16957 1
137 . ILE . 16957 1
138 . ALA . 16957 1
139 . ASP . 16957 1
140 . ALA . 16957 1
141 . ALA . 16957 1
142 . ASP . 16957 1
143 . LYS . 16957 1
144 . LEU . 16957 1
145 . VAL . 16957 1
146 . PRO . 16957 1
147 . ARG . 16957 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
. LEU 1 1 16957 1
. ARG 2 2 16957 1
. GLY 3 3 16957 1
. LEU 4 4 16957 1
. SER 5 5 16957 1
. ASP 6 6 16957 1
. LEU 7 7 16957 1
. GLY 8 8 16957 1
. GLY 9 9 16957 1
. ARG 10 10 16957 1
. VAL 11 11 16957 1
. ARG 12 12 16957 1
. ASN 13 13 16957 1
. ILE 14 14 16957 1
. GLY 15 15 16957 1
. ASP 16 16 16957 1
. VAL 17 17 16957 1
. MET 18 18 16957 1
. GLU 19 19 16957 1
. HIS 20 20 16957 1
. PRO 21 21 16957 1
. LEU 22 22 16957 1
. VAL 23 23 16957 1
. GLU 24 24 16957 1
. LEU 25 25 16957 1
. GLY 26 26 16957 1
. VAL 27 27 16957 1
. SER 28 28 16957 1
. TYR 29 29 16957 1
. ALA 30 30 16957 1
. ALA 31 31 16957 1
. LEU 32 32 16957 1
. LEU 33 33 16957 1
. SER 34 34 16957 1
. VAL 35 35 16957 1
. ILE 36 36 16957 1
. VAL 37 37 16957 1
. VAL 38 38 16957 1
. VAL 39 39 16957 1
. VAL 40 40 16957 1
. GLU 41 41 16957 1
. TYR 42 42 16957 1
. THR 43 43 16957 1
. MET 44 44 16957 1
. GLN 45 45 16957 1
. LEU 46 46 16957 1
. SER 47 47 16957 1
. GLY 48 48 16957 1
. GLU 49 49 16957 1
. TYR 50 50 16957 1
. LEU 51 51 16957 1
. VAL 52 52 16957 1
. ARG 53 53 16957 1
. LEU 54 54 16957 1
. TYR 55 55 16957 1
. LEU 56 56 16957 1
. VAL 57 57 16957 1
. ASP 58 58 16957 1
. LEU 59 59 16957 1
. ILE 60 60 16957 1
. LEU 61 61 16957 1
. VAL 62 62 16957 1
. ILE 63 63 16957 1
. ILE 64 64 16957 1
. LEU 65 65 16957 1
. TRP 66 66 16957 1
. ALA 67 67 16957 1
. ASP 68 68 16957 1
. TYR 69 69 16957 1
. ALA 70 70 16957 1
. TYR 71 71 16957 1
. ARG 72 72 16957 1
. ALA 73 73 16957 1
. TYR 74 74 16957 1
. LYS 75 75 16957 1
. SER 76 76 16957 1
. GLY 77 77 16957 1
. ASP 78 78 16957 1
. PRO 79 79 16957 1
. ALA 80 80 16957 1
. GLY 81 81 16957 1
. TYR 82 82 16957 1
. VAL 83 83 16957 1
. LYS 84 84 16957 1
. LYS 85 85 16957 1
. THR 86 86 16957 1
. LEU 87 87 16957 1
. TYR 88 88 16957 1
. GLU 89 89 16957 1
. ILE 90 90 16957 1
. PRO 91 91 16957 1
. ALA 92 92 16957 1
. LEU 93 93 16957 1
. VAL 94 94 16957 1
. PRO 95 95 16957 1
. ALA 96 96 16957 1
. GLY 97 97 16957 1
. LEU 98 98 16957 1
. LEU 99 99 16957 1
. ALA 100 100 16957 1
. LEU 101 101 16957 1
. ILE 102 102 16957 1
. GLU 103 103 16957 1
. GLY 104 104 16957 1
. HIS 105 105 16957 1
. LEU 106 106 16957 1
. ALA 107 107 16957 1
. GLY 108 108 16957 1
. LEU 109 109 16957 1
. GLY 110 110 16957 1
. LEU 111 111 16957 1
. PHE 112 112 16957 1
. ARG 113 113 16957 1
. LEU 114 114 16957 1
. VAL 115 115 16957 1
. ARG 116 116 16957 1
. LEU 117 117 16957 1
. LEU 118 118 16957 1
. ARG 119 119 16957 1
. PHE 120 120 16957 1
. LEU 121 121 16957 1
. ARG 122 122 16957 1
. ILE 123 123 16957 1
. LEU 124 124 16957 1
. LEU 125 125 16957 1
. ILE 126 126 16957 1
. ILE 127 127 16957 1
. SER 128 128 16957 1
. ARG 129 129 16957 1
. GLY 130 130 16957 1
. SER 131 131 16957 1
. LYS 132 132 16957 1
. PHE 133 133 16957 1
. LEU 134 134 16957 1
. SER 135 135 16957 1
. ALA 136 136 16957 1
. ILE 137 137 16957 1
. ALA 138 138 16957 1
. ASP 139 139 16957 1
. ALA 140 140 16957 1
. ALA 141 141 16957 1
. ASP 142 142 16957 1
. LYS 143 143 16957 1
. LEU 144 144 16957 1
. VAL 145 145 16957 1
. PRO 146 146 16957 1
. ARG 147 147 16957 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 16957
_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 . 56636 organism . 'Aeropyrum pernix' 'Aeropyrum pernix' . . Archaea . Aeropyrum pernix . . . . . . . . . . . . . . . . . . . . . 16957 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 16957
_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 . . . . . . . . . . . . . . . . pQE60 . . . . . . 16957 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_N
_Sample.Sf_category sample
_Sample.Sf_framecode sample_N
_Sample.Entry_ID 16957
_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 KvAP '[U-98% 15N]' . . 1 $entity . . . 0.1 0.5 mM . . . . 16957 1
2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 1
3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 1
4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 1
5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16957 1
6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16957 1
stop_
save_
save_sample_Nd2o
_Sample.Sf_category sample
_Sample.Sf_framecode sample_Nd2o
_Sample.Entry_ID 16957
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '99% 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 KvAP '[U-98% 15N]' . . 1 $entity . . . 0.1 0.5 mM . . . . 16957 2
2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 2
3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 2
4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 2
5 D2O 'natural abundance' . . . . . . 99 . . % . . . . 16957 2
stop_
save_
save_sample_DCN
_Sample.Sf_category sample
_Sample.Sf_framecode sample_DCN
_Sample.Entry_ID 16957
_Sample.ID 3
_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 KvAP '[U-100% 13C; U-100% 15N; U-50% 2H]' . . 1 $entity . . . 0.1 0.5 mM . . . . 16957 3
2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 3
3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 3
4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 3
5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16957 3
6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16957 3
stop_
save_
save_sample_CN
_Sample.Sf_category sample
_Sample.Sf_framecode sample_CN
_Sample.Entry_ID 16957
_Sample.ID 4
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '99% 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 KvAP '[U-98% 13C; U-98% 15N]' . . 1 $entity . . . 0.1 0.5 mM . . . . 16957 4
2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 4
3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 4
4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 4
5 D2O 'natural abundance' . . . . . . 99 . . % . . . . 16957 4
stop_
save_
save_sample_methyl
_Sample.Sf_category sample
_Sample.Sf_framecode sample_methyl
_Sample.Entry_ID 16957
_Sample.ID 5
_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 KvAP [13CH3/12CD2]-Leu,Val;[13CH3]-Ile . . 1 $entity . . . 0.1 0.5 mM . . . . 16957 5
2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 5
3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 5
4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 5
5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16957 5
6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16957 5
stop_
save_
save_sample_Arg
_Sample.Sf_category sample
_Sample.Sf_framecode sample_Arg
_Sample.Entry_ID 16957
_Sample.ID 6
_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 KvAP '[U-98% 13C; U-98% 15N]-Arg' . . 1 $entity . . . 0.3 0.3 mM . . . . 16957 6
2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 6
3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 6
4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 6
5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16957 6
6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16957 6
stop_
save_
save_sample_LGA
_Sample.Sf_category sample
_Sample.Sf_framecode sample_LGA
_Sample.Entry_ID 16957
_Sample.ID 7
_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 KvAP '[98% 1-13C,98% 15N]-Leu; [98% 2-13C]-Gly; [98% 2,3-13C]-Ala' . . 1 $entity . . . 0.3 0.3 mM . . . . 16957 7
2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 7
3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 7
4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 7
5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16957 7
6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16957 7
stop_
save_
save_sample_ILV
_Sample.Sf_category sample
_Sample.Sf_framecode sample_ILV
_Sample.Entry_ID 16957
_Sample.ID 8
_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 KvAP '[98% 15N]-Ile; [98% 2-13C]-Leu; [98% 1-13C]-Val' . . 1 $entity . . . 0.3 0.3 mM . . . . 16957 8
2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 8
3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 8
4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 8
5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16957 8
6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16957 8
stop_
save_
save_sample_10C
_Sample.Sf_category sample
_Sample.Sf_framecode sample_10C
_Sample.Entry_ID 16957
_Sample.ID 9
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '99% 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 KvAP '[U-10% 13C]' . . 1 $entity . . . 0.3 0.3 mM . . . . 16957 9
2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16957 9
3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16957 9
4 'diheptanoyl phosphatidylcholine' 'natural abundance' . . . . . . . 5 . mM . . . . 16957 9
5 D2O 'natural abundance' . . . . . . 99 . . % . . . . 16957 9
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 16957
_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' 40 . mM 16957 1
pH 7.0 . pH 16957 1
pressure 1 . atm 16957 1
temperature 318 . K 16957 1
stop_
save_
############################
# Computer software used #
############################
save_X-PLOR_NIH
_Software.Sf_category software
_Software.Sf_framecode X-PLOR_NIH
_Software.Entry_ID 16957
_Software.ID 1
_Software.Name 'X-PLOR NIH'
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Schwieters, Kuszewski, Tjandra and Clore' . . 16957 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 16957 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 16957
_Software.ID 2
_Software.Name NMRPipe
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16957 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 16957 2
stop_
save_
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 16957
_Software.ID 3
_Software.Name SPARKY
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 16957 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 16957 3
'peak picking' 16957 3
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 16957
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DMX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 900
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 16957
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DMX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_spectrometer_3
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_3
_NMR_spectrometer.Entry_ID 16957
_NMR_spectrometer.ID 3
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DMX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 700
save_
save_spectrometer_4
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_4
_NMR_spectrometer.Entry_ID 16957
_NMR_spectrometer.ID 4
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DMX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 16957
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker DMX . 900 . . . 16957 1
2 spectrometer_2 Bruker DMX . 800 . . . 16957 1
3 spectrometer_3 Bruker DMX . 700 . . . 16957 1
4 spectrometer_4 Bruker DMX . 600 . . . 16957 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 16957
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
2 '3D TROSY HNCO' no . . . . . . . . . . 3 $sample_DCN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
3 '3D TROSY HNCA' no . . . . . . . . . . 3 $sample_DCN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
4 '3D TROSY HN(CO)CA' no . . . . . . . . . . 3 $sample_DCN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
5 '3D HCCH-COSY' no . . . . . . . . . . 4 $sample_CN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
6 '3D TROSY HNCACB' no . . . . . . . . . . 3 $sample_DCN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
8 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_CN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
9 '3D 1H-13C NOESY' no . . . . . . . . . . 5 $sample_methyl isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
10 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_DCN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
11 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_Nd2o isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
12 '2D HN(CO)' no . . . . . . . . . . 7 $sample_LGA isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
13 '2D H(N)CO' no . . . . . . . . . . 7 $sample_LGA isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
14 '2D HN(CA)' no . . . . . . . . . . 7 $sample_LGA isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
15 '2D H(N)CA' no . . . . . . . . . . 7 $sample_LGA isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
16 '2D HN(CO)' no . . . . . . . . . . 8 $sample_ILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
17 '2D H(N)CO' no . . . . . . . . . . 8 $sample_ILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
18 '2D HN(CA)' no . . . . . . . . . . 8 $sample_ILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
19 '2D H(N)CA' no . . . . . . . . . . 8 $sample_ILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
20 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $sample_LGA isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
21 '2D 1H-15N HSQC' no . . . . . . . . . . 8 $sample_ILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
22 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_Arg isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
23 '2D HN(CA)' no . . . . . . . . . . 6 $sample_Arg isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
24 '2D H(N)CA' no . . . . . . . . . . 6 $sample_Arg isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
25 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_DCN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
26 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_Nd2o isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
27 '3D 1H-13C NOESYaro' no . . . . . . . . . . 4 $sample_CN isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
28 '2D 1H-13C HSQC' no . . . . . . . . . . 9 $sample_10C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16957 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 16957
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16957 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16957 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16957 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 16957
_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 0.05
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
2 '3D TROSY HNCO' . . . 16957 1
3 '3D TROSY HNCA' . . . 16957 1
4 '3D TROSY HN(CO)CA' . . . 16957 1
6 '3D TROSY HNCACB' . . . 16957 1
10 '2D 1H-15N HSQC' . . . 16957 1
26 '3D 1H-15N NOESY' . . . 16957 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $SPARKY . . 16957 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 6 6 ASP C C 13 176.663 0.2 . 1 . . . . 10 D C . 16957 1
2 . 1 1 6 6 ASP CA C 13 54.380 0.2 . 1 . . . . 10 D CA . 16957 1
3 . 1 1 6 6 ASP CB C 13 40.673 0.2 . 1 . . . . 10 D CB . 16957 1
4 . 1 1 7 7 LEU H H 1 7.983 0.05 . 1 . . . . 11 L H . 16957 1
5 . 1 1 7 7 LEU C C 13 178.032 0.2 . 1 . . . . 11 L C . 16957 1
6 . 1 1 7 7 LEU CA C 13 55.649 0.2 . 1 . . . . 11 L CA . 16957 1
7 . 1 1 7 7 LEU CB C 13 41.040 0.2 . 1 . . . . 11 L CB . 16957 1
8 . 1 1 7 7 LEU N N 15 121.525 0.1 . 1 . . . . 11 L N . 16957 1
9 . 1 1 8 8 GLY H H 1 8.241 0.05 . 1 . . . . 12 G H . 16957 1
10 . 1 1 8 8 GLY C C 13 174.993 0.2 . 1 . . . . 12 G C . 16957 1
11 . 1 1 8 8 GLY CA C 13 45.573 0.2 . 1 . . . . 12 G CA . 16957 1
12 . 1 1 8 8 GLY N N 15 107.867 0.1 . 1 . . . . 12 G N . 16957 1
13 . 1 1 9 9 GLY H H 1 8.086 0.05 . 1 . . . . 13 G H . 16957 1
14 . 1 1 9 9 GLY C C 13 174.501 0.2 . 1 . . . . 13 G C . 16957 1
15 . 1 1 9 9 GLY CA C 13 45.298 0.2 . 1 . . . . 13 G CA . 16957 1
16 . 1 1 9 9 GLY N N 15 108.442 0.1 . 1 . . . . 13 G N . 16957 1
17 . 1 1 10 10 ARG H H 1 7.965 0.05 . 1 . . . . 14 R H . 16957 1
18 . 1 1 10 10 ARG C C 13 176.518 0.2 . 1 . . . . 14 R C . 16957 1
19 . 1 1 10 10 ARG CA C 13 56.092 0.2 . 1 . . . . 14 R CA . 16957 1
20 . 1 1 10 10 ARG CB C 13 29.995 0.2 . 1 . . . . 14 R CB . 16957 1
21 . 1 1 10 10 ARG N N 15 120.077 0.1 . 1 . . . . 14 R N . 16957 1
22 . 1 1 11 11 VAL H H 1 7.911 0.05 . 1 . . . . 15 V H . 16957 1
23 . 1 1 11 11 VAL C C 13 175.952 0.2 . 1 . . . . 15 V C . 16957 1
24 . 1 1 11 11 VAL CA C 13 62.222 0.2 . 1 . . . . 15 V CA . 16957 1
25 . 1 1 11 11 VAL CB C 13 31.634 0.2 . 1 . . . . 15 V CB . 16957 1
26 . 1 1 11 11 VAL N N 15 119.482 0.1 . 1 . . . . 15 V N . 16957 1
27 . 1 1 12 12 ARG H H 1 8.405 0.05 . 1 . . . . 16 R H . 16957 1
28 . 1 1 12 12 ARG C C 13 176.036 0.2 . 1 . . . . 16 R C . 16957 1
29 . 1 1 12 12 ARG CA C 13 56.275 0.2 . 1 . . . . 16 R CA . 16957 1
30 . 1 1 12 12 ARG CB C 13 30.226 0.2 . 1 . . . . 16 R CB . 16957 1
31 . 1 1 12 12 ARG N N 15 123.794 0.1 . 1 . . . . 16 R N . 16957 1
32 . 1 1 13 13 ASN H H 1 8.199 0.05 . 1 . . . . 17 N H . 16957 1
33 . 1 1 13 13 ASN HD21 H 1 6.802 0.05 . 2 . . . . 17 N HD21 . 16957 1
34 . 1 1 13 13 ASN HD22 H 1 7.597 0.05 . 2 . . . . 17 N HD22 . 16957 1
35 . 1 1 13 13 ASN C C 13 175.827 0.2 . 1 . . . . 17 N C . 16957 1
36 . 1 1 13 13 ASN CA C 13 52.742 0.2 . 1 . . . . 17 N CA . 16957 1
37 . 1 1 13 13 ASN CB C 13 39.126 0.2 . 1 . . . . 17 N CB . 16957 1
38 . 1 1 13 13 ASN CG C 13 176.971 0.2 . 1 . . . . 17 N CG . 16957 1
39 . 1 1 13 13 ASN N N 15 118.195 0.1 . 1 . . . . 17 N N . 16957 1
40 . 1 1 13 13 ASN ND2 N 15 113.453 0.1 . 1 . . . . 17 N ND2 . 16957 1
41 . 1 1 14 14 ILE H H 1 8.341 0.05 . 1 . . . . 18 I H . 16957 1
42 . 1 1 14 14 ILE C C 13 176.812 0.2 . 1 . . . . 18 I C . 16957 1
43 . 1 1 14 14 ILE CA C 13 62.289 0.2 . 1 . . . . 18 I CA . 16957 1
44 . 1 1 14 14 ILE CB C 13 39.060 0.2 . 1 . . . . 18 I CB . 16957 1
45 . 1 1 14 14 ILE N N 15 120.723 0.1 . 1 . . . . 18 I N . 16957 1
46 . 1 1 15 15 GLY H H 1 8.463 0.05 . 1 . . . . 19 G H . 16957 1
47 . 1 1 15 15 GLY C C 13 174.591 0.2 . 1 . . . . 19 G C . 16957 1
48 . 1 1 15 15 GLY CA C 13 46.252 0.2 . 1 . . . . 19 G CA . 16957 1
49 . 1 1 15 15 GLY N N 15 110.784 0.1 . 1 . . . . 19 G N . 16957 1
50 . 1 1 16 16 ASP H H 1 7.791 0.05 . 1 . . . . 20 D H . 16957 1
51 . 1 1 16 16 ASP C C 13 177.662 0.2 . 1 . . . . 20 D C . 16957 1
52 . 1 1 16 16 ASP CA C 13 55.494 0.2 . 1 . . . . 20 D CA . 16957 1
53 . 1 1 16 16 ASP CB C 13 40.630 0.2 . 1 . . . . 20 D CB . 16957 1
54 . 1 1 16 16 ASP N N 15 119.798 0.1 . 1 . . . . 20 D N . 16957 1
55 . 1 1 17 17 VAL H H 1 7.521 0.05 . 1 . . . . 21 V H . 16957 1
56 . 1 1 17 17 VAL CA C 13 63.803 0.2 . 1 . . . . 21 V CA . 16957 1
57 . 1 1 17 17 VAL CB C 13 31.629 0.2 . 1 . . . . 21 V CB . 16957 1
58 . 1 1 17 17 VAL N N 15 117.871 0.1 . 1 . . . . 21 V N . 16957 1
59 . 1 1 18 18 MET H H 1 7.799 0.05 . 1 . . . . 22 M H . 16957 1
60 . 1 1 18 18 MET C C 13 176.676 0.2 . 1 . . . . 22 M C . 16957 1
61 . 1 1 18 18 MET CA C 13 54.822 0.2 . 1 . . . . 22 M CA . 16957 1
62 . 1 1 18 18 MET N N 15 115.784 0.1 . 1 . . . . 22 M N . 16957 1
63 . 1 1 19 19 GLU H H 1 7.678 0.05 . 1 . . . . 23 E H . 16957 1
64 . 1 1 19 19 GLU C C 13 176.192 0.2 . 1 . . . . 23 E C . 16957 1
65 . 1 1 19 19 GLU CA C 13 55.214 0.2 . 1 . . . . 23 E CA . 16957 1
66 . 1 1 19 19 GLU N N 15 116.127 0.1 . 1 . . . . 23 E N . 16957 1
67 . 1 1 20 20 HIS H H 1 7.799 0.05 . 1 . . . . 24 H H . 16957 1
68 . 1 1 20 20 HIS CA C 13 55.621 0.2 . 1 . . . . 24 H CA . 16957 1
69 . 1 1 20 20 HIS N N 15 123.218 0.1 . 1 . . . . 24 H N . 16957 1
70 . 1 1 22 22 LEU C C 13 179.381 0.2 . 1 . . . . 26 L C . 16957 1
71 . 1 1 23 23 VAL H H 1 7.686 0.05 . 1 . . . . 27 V H . 16957 1
72 . 1 1 23 23 VAL C C 13 177.500 0.2 . 1 . . . . 27 V C . 16957 1
73 . 1 1 23 23 VAL CA C 13 66.238 0.2 . 1 . . . . 27 V CA . 16957 1
74 . 1 1 23 23 VAL N N 15 120.396 0.1 . 1 . . . . 27 V N . 16957 1
75 . 1 1 24 24 GLU H H 1 8.221 0.05 . 1 . . . . 28 E H . 16957 1
76 . 1 1 24 24 GLU C C 13 180.029 0.2 . 1 . . . . 28 E C . 16957 1
77 . 1 1 24 24 GLU CA C 13 59.488 0.2 . 1 . . . . 28 E CA . 16957 1
78 . 1 1 24 24 GLU N N 15 119.291 0.1 . 1 . . . . 28 E N . 16957 1
79 . 1 1 25 25 LEU H H 1 8.078 0.05 . 1 . . . . 29 L H . 16957 1
80 . 1 1 25 25 LEU C C 13 178.763 0.2 . 1 . . . . 29 L C . 16957 1
81 . 1 1 25 25 LEU CA C 13 57.191 0.2 . 1 . . . . 29 L CA . 16957 1
82 . 1 1 25 25 LEU N N 15 120.200 0.1 . 1 . . . . 29 L N . 16957 1
83 . 1 1 26 26 GLY H H 1 8.299 0.05 . 1 . . . . 30 G H . 16957 1
84 . 1 1 26 26 GLY CA C 13 47.501 0.2 . 1 . . . . 30 G CA . 16957 1
85 . 1 1 26 26 GLY N N 15 108.552 0.1 . 1 . . . . 30 G N . 16957 1
86 . 1 1 27 27 VAL H H 1 8.773 0.05 . 1 . . . . 31 V H . 16957 1
87 . 1 1 27 27 VAL C C 13 178.041 0.2 . 1 . . . . 31 V C . 16957 1
88 . 1 1 27 27 VAL CA C 13 66.745 0.2 . 1 . . . . 31 V CA . 16957 1
89 . 1 1 27 27 VAL N N 15 122.413 0.1 . 1 . . . . 31 V N . 16957 1
90 . 1 1 28 28 SER H H 1 7.979 0.05 . 1 . . . . 32 S H . 16957 1
91 . 1 1 28 28 SER C C 13 176.438 0.2 . 1 . . . . 32 S C . 16957 1
92 . 1 1 28 28 SER CA C 13 62.847 0.2 . 1 . . . . 32 S CA . 16957 1
93 . 1 1 28 28 SER N N 15 117.074 0.1 . 1 . . . . 32 S N . 16957 1
94 . 1 1 29 29 TYR H H 1 8.409 0.05 . 1 . . . . 33 Y H . 16957 1
95 . 1 1 29 29 TYR C C 13 178.160 0.2 . 1 . . . . 33 Y C . 16957 1
96 . 1 1 29 29 TYR CA C 13 60.159 0.2 . 1 . . . . 33 Y CA . 16957 1
97 . 1 1 29 29 TYR CB C 13 37.356 0.2 . 1 . . . . 33 Y CB . 16957 1
98 . 1 1 29 29 TYR N N 15 122.022 0.1 . 1 . . . . 33 Y N . 16957 1
99 . 1 1 30 30 ALA H H 1 8.654 0.05 . 1 . . . . 34 A H . 16957 1
100 . 1 1 30 30 ALA C C 13 179.483 0.2 . 1 . . . . 34 A C . 16957 1
101 . 1 1 30 30 ALA CA C 13 55.043 0.2 . 1 . . . . 34 A CA . 16957 1
102 . 1 1 30 30 ALA N N 15 122.169 0.1 . 1 . . . . 34 A N . 16957 1
103 . 1 1 31 31 ALA H H 1 8.808 0.05 . 1 . . . . 35 A H . 16957 1
104 . 1 1 31 31 ALA CA C 13 54.646 0.2 . 1 . . . . 35 A CA . 16957 1
105 . 1 1 31 31 ALA N N 15 120.414 0.1 . 1 . . . . 35 A N . 16957 1
106 . 1 1 32 32 LEU H H 1 8.251 0.05 . 1 . . . . 36 L H . 16957 1
107 . 1 1 32 32 LEU C C 13 179.080 0.2 . 1 . . . . 36 L C . 16957 1
108 . 1 1 32 32 LEU CA C 13 57.889 0.2 . 1 . . . . 36 L CA . 16957 1
109 . 1 1 32 32 LEU N N 15 121.083 0.1 . 1 . . . . 36 L N . 16957 1
110 . 1 1 33 33 LEU H H 1 8.677 0.05 . 1 . . . . 37 L H . 16957 1
111 . 1 1 33 33 LEU C C 13 178.095 0.2 . 1 . . . . 37 L C . 16957 1
112 . 1 1 33 33 LEU CA C 13 57.577 0.2 . 1 . . . . 37 L CA . 16957 1
113 . 1 1 33 33 LEU N N 15 119.096 0.1 . 1 . . . . 37 L N . 16957 1
114 . 1 1 35 35 VAL H H 1 7.537 0.05 . 1 . . . . 39 V H . 16957 1
115 . 1 1 35 35 VAL N N 15 122.668 0.1 . 1 . . . . 39 V N . 16957 1
116 . 1 1 36 36 ILE H H 1 7.521 0.05 . 1 . . . . 40 I H . 16957 1
117 . 1 1 36 36 ILE N N 15 119.341 0.1 . 1 . . . . 40 I N . 16957 1
118 . 1 1 37 37 VAL H H 1 8.362 0.05 . 1 . . . . 41 V H . 16957 1
119 . 1 1 37 37 VAL CA C 13 66.987 0.2 . 1 . . . . 41 V CA . 16957 1
120 . 1 1 37 37 VAL N N 15 116.305 0.1 . 1 . . . . 41 V N . 16957 1
121 . 1 1 38 38 VAL C C 13 178.007 0.2 . 1 . . . . 42 V C . 16957 1
122 . 1 1 39 39 VAL H H 1 7.832 0.05 . 1 . . . . 43 V H . 16957 1
123 . 1 1 39 39 VAL C C 13 179.365 0.2 . 1 . . . . 43 V C . 16957 1
124 . 1 1 39 39 VAL CA C 13 66.790 0.2 . 1 . . . . 43 V CA . 16957 1
125 . 1 1 39 39 VAL CB C 13 31.002 0.2 . 1 . . . . 43 V CB . 16957 1
126 . 1 1 39 39 VAL N N 15 121.119 0.1 . 1 . . . . 43 V N . 16957 1
127 . 1 1 40 40 VAL H H 1 8.550 0.05 . 1 . . . . 44 V H . 16957 1
128 . 1 1 40 40 VAL C C 13 177.155 0.2 . 1 . . . . 44 V C . 16957 1
129 . 1 1 40 40 VAL CA C 13 66.675 0.2 . 1 . . . . 44 V CA . 16957 1
130 . 1 1 40 40 VAL CB C 13 30.408 0.2 . 1 . . . . 44 V CB . 16957 1
131 . 1 1 40 40 VAL N N 15 121.874 0.1 . 1 . . . . 44 V N . 16957 1
132 . 1 1 41 41 GLU H H 1 8.134 0.05 . 1 . . . . 45 E H . 16957 1
133 . 1 1 41 41 GLU C C 13 177.820 0.2 . 1 . . . . 45 E C . 16957 1
134 . 1 1 41 41 GLU CA C 13 59.088 0.2 . 1 . . . . 45 E CA . 16957 1
135 . 1 1 41 41 GLU CB C 13 28.674 0.2 . 1 . . . . 45 E CB . 16957 1
136 . 1 1 41 41 GLU N N 15 120.039 0.1 . 1 . . . . 45 E N . 16957 1
137 . 1 1 42 42 TYR H H 1 7.772 0.05 . 1 . . . . 46 Y H . 16957 1
138 . 1 1 42 42 TYR C C 13 177.155 0.2 . 1 . . . . 46 Y C . 16957 1
139 . 1 1 42 42 TYR CA C 13 60.030 0.2 . 1 . . . . 46 Y CA . 16957 1
140 . 1 1 42 42 TYR N N 15 114.765 0.1 . 1 . . . . 46 Y N . 16957 1
141 . 1 1 43 43 THR H H 1 7.846 0.05 . 1 . . . . 47 T H . 16957 1
142 . 1 1 43 43 THR C C 13 175.592 0.2 . 1 . . . . 47 T C . 16957 1
143 . 1 1 43 43 THR CA C 13 63.191 0.2 . 1 . . . . 47 T CA . 16957 1
144 . 1 1 43 43 THR N N 15 106.985 0.1 . 1 . . . . 47 T N . 16957 1
145 . 1 1 44 44 MET H H 1 7.968 0.05 . 1 . . . . 48 M H . 16957 1
146 . 1 1 44 44 MET C C 13 175.042 0.2 . 1 . . . . 48 M C . 16957 1
147 . 1 1 44 44 MET CA C 13 55.334 0.2 . 1 . . . . 48 M CA . 16957 1
148 . 1 1 44 44 MET CB C 13 32.875 0.2 . 1 . . . . 48 M CB . 16957 1
149 . 1 1 44 44 MET N N 15 119.555 0.1 . 1 . . . . 48 M N . 16957 1
150 . 1 1 45 45 GLN H H 1 8.267 0.05 . 1 . . . . 49 Q H . 16957 1
151 . 1 1 45 45 GLN HE21 H 1 6.666 0.05 . 2 . . . . 49 Q HE21 . 16957 1
152 . 1 1 45 45 GLN HE22 H 1 7.386 0.05 . 2 . . . . 49 Q HE22 . 16957 1
153 . 1 1 45 45 GLN C C 13 175.402 0.2 . 1 . . . . 49 Q C . 16957 1
154 . 1 1 45 45 GLN CA C 13 55.297 0.2 . 1 . . . . 49 Q CA . 16957 1
155 . 1 1 45 45 GLN CD C 13 180.796 0.2 . 1 . . . . 49 Q CD . 16957 1
156 . 1 1 45 45 GLN CG C 13 33.376 0.2 . 1 . . . . 49 Q CG . 16957 1
157 . 1 1 45 45 GLN N N 15 120.335 0.1 . 1 . . . . 49 Q N . 16957 1
158 . 1 1 45 45 GLN NE2 N 15 112.253 0.1 . 1 . . . . 49 Q NE2 . 16957 1
159 . 1 1 46 46 LEU H H 1 8.111 0.05 . 1 . . . . 50 L H . 16957 1
160 . 1 1 46 46 LEU C C 13 176.395 0.2 . 1 . . . . 50 L C . 16957 1
161 . 1 1 46 46 LEU CA C 13 53.989 0.2 . 1 . . . . 50 L CA . 16957 1
162 . 1 1 46 46 LEU N N 15 122.962 0.1 . 1 . . . . 50 L N . 16957 1
163 . 1 1 47 47 SER H H 1 8.171 0.05 . 1 . . . . 51 S H . 16957 1
164 . 1 1 47 47 SER C C 13 175.209 0.2 . 1 . . . . 51 S C . 16957 1
165 . 1 1 47 47 SER CA C 13 56.868 0.2 . 1 . . . . 51 S CA . 16957 1
166 . 1 1 47 47 SER CB C 13 64.649 0.2 . 1 . . . . 51 S CB . 16957 1
167 . 1 1 47 47 SER N N 15 114.752 0.1 . 1 . . . . 51 S N . 16957 1
168 . 1 1 48 48 GLY H H 1 8.870 0.05 . 1 . . . . 52 G H . 16957 1
169 . 1 1 48 48 GLY C C 13 175.559 0.2 . 1 . . . . 52 G C . 16957 1
170 . 1 1 48 48 GLY CA C 13 47.221 0.2 . 1 . . . . 52 G CA . 16957 1
171 . 1 1 48 48 GLY N N 15 109.495 0.1 . 1 . . . . 52 G N . 16957 1
172 . 1 1 49 49 GLU H H 1 8.898 0.05 . 1 . . . . 53 E H . 16957 1
173 . 1 1 49 49 GLU C C 13 178.541 0.2 . 1 . . . . 53 E C . 16957 1
174 . 1 1 49 49 GLU CA C 13 59.008 0.2 . 1 . . . . 53 E CA . 16957 1
175 . 1 1 49 49 GLU N N 15 121.960 0.1 . 1 . . . . 53 E N . 16957 1
176 . 1 1 50 50 TYR H H 1 7.741 0.05 . 1 . . . . 54 Y H . 16957 1
177 . 1 1 50 50 TYR C C 13 177.540 0.2 . 1 . . . . 54 Y C . 16957 1
178 . 1 1 50 50 TYR CA C 13 60.347 0.2 . 1 . . . . 54 Y CA . 16957 1
179 . 1 1 50 50 TYR CB C 13 37.310 0.2 . 1 . . . . 54 Y CB . 16957 1
180 . 1 1 50 50 TYR N N 15 118.511 0.1 . 1 . . . . 54 Y N . 16957 1
181 . 1 1 51 51 LEU H H 1 7.763 0.05 . 1 . . . . 55 L H . 16957 1
182 . 1 1 51 51 LEU C C 13 177.764 0.2 . 1 . . . . 55 L C . 16957 1
183 . 1 1 51 51 LEU CA C 13 57.137 0.2 . 1 . . . . 55 L CA . 16957 1
184 . 1 1 51 51 LEU CB C 13 40.504 0.2 . 1 . . . . 55 L CB . 16957 1
185 . 1 1 51 51 LEU N N 15 121.528 0.1 . 1 . . . . 55 L N . 16957 1
186 . 1 1 52 52 VAL H H 1 7.771 0.05 . 1 . . . . 56 V H . 16957 1
187 . 1 1 52 52 VAL C C 13 177.835 0.2 . 1 . . . . 56 V C . 16957 1
188 . 1 1 52 52 VAL CA C 13 67.079 0.2 . 1 . . . . 56 V CA . 16957 1
189 . 1 1 52 52 VAL CB C 13 30.540 0.2 . 1 . . . . 56 V CB . 16957 1
190 . 1 1 52 52 VAL N N 15 116.624 0.1 . 1 . . . . 56 V N . 16957 1
191 . 1 1 53 53 ARG H H 1 7.461 0.05 . 1 . . . . 57 R H . 16957 1
192 . 1 1 53 53 ARG C C 13 177.779 0.2 . 1 . . . . 57 R C . 16957 1
193 . 1 1 53 53 ARG CA C 13 60.013 0.2 . 1 . . . . 57 R CA . 16957 1
194 . 1 1 53 53 ARG CB C 13 29.366 0.2 . 1 . . . . 57 R CB . 16957 1
195 . 1 1 53 53 ARG N N 15 116.740 0.1 . 1 . . . . 57 R N . 16957 1
196 . 1 1 54 54 LEU H H 1 7.957 0.05 . 1 . . . . 58 L H . 16957 1
197 . 1 1 54 54 LEU C C 13 178.828 0.2 . 1 . . . . 58 L C . 16957 1
198 . 1 1 54 54 LEU CA C 13 58.516 0.2 . 1 . . . . 58 L CA . 16957 1
199 . 1 1 54 54 LEU CB C 13 40.782 0.2 . 1 . . . . 58 L CB . 16957 1
200 . 1 1 54 54 LEU N N 15 120.427 0.1 . 1 . . . . 58 L N . 16957 1
201 . 1 1 55 55 TYR H H 1 8.311 0.05 . 1 . . . . 59 Y H . 16957 1
202 . 1 1 55 55 TYR C C 13 179.668 0.2 . 1 . . . . 59 Y C . 16957 1
203 . 1 1 55 55 TYR CA C 13 58.283 0.2 . 1 . . . . 59 Y CA . 16957 1
204 . 1 1 55 55 TYR CB C 13 35.587 0.2 . 1 . . . . 59 Y CB . 16957 1
205 . 1 1 55 55 TYR N N 15 116.695 0.1 . 1 . . . . 59 Y N . 16957 1
206 . 1 1 56 56 LEU H H 1 8.433 0.05 . 1 . . . . 60 L H . 16957 1
207 . 1 1 56 56 LEU C C 13 177.988 0.2 . 1 . . . . 60 L C . 16957 1
208 . 1 1 56 56 LEU CA C 13 57.783 0.2 . 1 . . . . 60 L CA . 16957 1
209 . 1 1 56 56 LEU CB C 13 40.736 0.2 . 1 . . . . 60 L CB . 16957 1
210 . 1 1 56 56 LEU N N 15 123.646 0.1 . 1 . . . . 60 L N . 16957 1
211 . 1 1 57 57 VAL H H 1 8.175 0.05 . 1 . . . . 61 V H . 16957 1
212 . 1 1 57 57 VAL C C 13 177.540 0.2 . 1 . . . . 61 V C . 16957 1
213 . 1 1 57 57 VAL CA C 13 66.940 0.2 . 1 . . . . 61 V CA . 16957 1
214 . 1 1 57 57 VAL CB C 13 30.164 0.2 . 1 . . . . 61 V CB . 16957 1
215 . 1 1 57 57 VAL N N 15 119.714 0.1 . 1 . . . . 61 V N . 16957 1
216 . 1 1 58 58 ASP H H 1 8.444 0.05 . 1 . . . . 62 D H . 16957 1
217 . 1 1 58 58 ASP C C 13 176.369 0.2 . 1 . . . . 62 D C . 16957 1
218 . 1 1 58 58 ASP CA C 13 58.065 0.2 . 1 . . . . 62 D CA . 16957 1
219 . 1 1 58 58 ASP CB C 13 42.653 0.2 . 1 . . . . 62 D CB . 16957 1
220 . 1 1 58 58 ASP N N 15 118.064 0.1 . 1 . . . . 62 D N . 16957 1
221 . 1 1 59 59 LEU H H 1 7.724 0.05 . 1 . . . . 63 L H . 16957 1
222 . 1 1 59 59 LEU CA C 13 57.861 0.2 . 1 . . . . 63 L CA . 16957 1
223 . 1 1 59 59 LEU CB C 13 41.001 0.2 . 1 . . . . 63 L CB . 16957 1
224 . 1 1 59 59 LEU N N 15 117.345 0.1 . 1 . . . . 63 L N . 16957 1
225 . 1 1 60 60 ILE H H 1 7.740 0.05 . 1 . . . . 64 I H . 16957 1
226 . 1 1 60 60 ILE N N 15 117.213 0.1 . 1 . . . . 64 I N . 16957 1
227 . 1 1 61 61 LEU H H 1 8.013 0.05 . 1 . . . . 65 L H . 16957 1
228 . 1 1 61 61 LEU N N 15 117.362 0.1 . 1 . . . . 65 L N . 16957 1
229 . 1 1 62 62 VAL H H 1 8.747 0.05 . 1 . . . . 66 V H . 16957 1
230 . 1 1 62 62 VAL N N 15 116.751 0.1 . 1 . . . . 66 V N . 16957 1
231 . 1 1 63 63 ILE H H 1 8.084 0.05 . 1 . . . . 67 I H . 16957 1
232 . 1 1 63 63 ILE N N 15 121.694 0.1 . 1 . . . . 67 I N . 16957 1
233 . 1 1 64 64 ILE H H 1 7.564 0.05 . 1 . . . . 68 I H . 16957 1
234 . 1 1 64 64 ILE N N 15 119.428 0.1 . 1 . . . . 68 I N . 16957 1
235 . 1 1 65 65 LEU H H 1 8.082 0.05 . 1 . . . . 69 L H . 16957 1
236 . 1 1 65 65 LEU N N 15 118.286 0.1 . 1 . . . . 69 L N . 16957 1
237 . 1 1 66 66 TRP H H 1 9.662 0.05 . 1 . . . . 70 W H . 16957 1
238 . 1 1 66 66 TRP HE1 H 1 10.236 0.05 . 1 . . . . 70 W HE1 . 16957 1
239 . 1 1 66 66 TRP C C 13 178.158 0.2 . 1 . . . . 70 W C . 16957 1
240 . 1 1 66 66 TRP CA C 13 60.421 0.2 . 1 . . . . 70 W CA . 16957 1
241 . 1 1 66 66 TRP CB C 13 32.202 0.2 . 1 . . . . 70 W CB . 16957 1
242 . 1 1 66 66 TRP N N 15 124.059 0.1 . 1 . . . . 70 W N . 16957 1
243 . 1 1 66 66 TRP NE1 N 15 127.938 0.1 . 1 . . . . 70 W NE1 . 16957 1
244 . 1 1 67 67 ALA H H 1 8.297 0.05 . 1 . . . . 71 A H . 16957 1
245 . 1 1 67 67 ALA C C 13 178.810 0.2 . 1 . . . . 71 A C . 16957 1
246 . 1 1 67 67 ALA CA C 13 55.346 0.2 . 1 . . . . 71 A CA . 16957 1
247 . 1 1 67 67 ALA CB C 13 16.792 0.2 . 1 . . . . 71 A CB . 16957 1
248 . 1 1 67 67 ALA N N 15 121.805 0.1 . 1 . . . . 71 A N . 16957 1
249 . 1 1 68 68 ASP H H 1 7.771 0.05 . 1 . . . . 72 D H . 16957 1
250 . 1 1 68 68 ASP C C 13 176.605 0.2 . 1 . . . . 72 D C . 16957 1
251 . 1 1 68 68 ASP CA C 13 57.377 0.2 . 1 . . . . 72 D CA . 16957 1
252 . 1 1 68 68 ASP CB C 13 43.238 0.2 . 1 . . . . 72 D CB . 16957 1
253 . 1 1 68 68 ASP N N 15 116.246 0.1 . 1 . . . . 72 D N . 16957 1
254 . 1 1 69 69 TYR H H 1 8.262 0.05 . 1 . . . . 73 Y H . 16957 1
255 . 1 1 69 69 TYR C C 13 177.119 0.2 . 1 . . . . 73 Y C . 16957 1
256 . 1 1 69 69 TYR CA C 13 61.900 0.2 . 1 . . . . 73 Y CA . 16957 1
257 . 1 1 69 69 TYR CB C 13 39.518 0.2 . 1 . . . . 73 Y CB . 16957 1
258 . 1 1 69 69 TYR N N 15 120.892 0.1 . 1 . . . . 73 Y N . 16957 1
259 . 1 1 70 70 ALA H H 1 9.115 0.05 . 1 . . . . 74 A H . 16957 1
260 . 1 1 70 70 ALA C C 13 179.298 0.2 . 1 . . . . 74 A C . 16957 1
261 . 1 1 70 70 ALA CA C 13 54.503 0.2 . 1 . . . . 74 A CA . 16957 1
262 . 1 1 70 70 ALA CB C 13 17.434 0.2 . 1 . . . . 74 A CB . 16957 1
263 . 1 1 70 70 ALA N N 15 118.861 0.1 . 1 . . . . 74 A N . 16957 1
264 . 1 1 71 71 TYR H H 1 8.360 0.05 . 1 . . . . 75 Y H . 16957 1
265 . 1 1 71 71 TYR C C 13 177.262 0.2 . 1 . . . . 75 Y C . 16957 1
266 . 1 1 71 71 TYR CA C 13 61.717 0.2 . 1 . . . . 75 Y CA . 16957 1
267 . 1 1 71 71 TYR CB C 13 37.626 0.2 . 1 . . . . 75 Y CB . 16957 1
268 . 1 1 71 71 TYR N N 15 118.186 0.1 . 1 . . . . 75 Y N . 16957 1
269 . 1 1 72 72 ARG H H 1 8.165 0.05 . 1 . . . . 76 R H . 16957 1
270 . 1 1 72 72 ARG C C 13 179.322 0.2 . 1 . . . . 76 R C . 16957 1
271 . 1 1 72 72 ARG CA C 13 59.686 0.2 . 1 . . . . 76 R CA . 16957 1
272 . 1 1 72 72 ARG CB C 13 27.937 0.2 . 1 . . . . 76 R CB . 16957 1
273 . 1 1 72 72 ARG N N 15 119.408 0.1 . 1 . . . . 76 R N . 16957 1
274 . 1 1 73 73 ALA H H 1 8.106 0.05 . 1 . . . . 77 A H . 16957 1
275 . 1 1 73 73 ALA C C 13 180.987 0.2 . 1 . . . . 77 A C . 16957 1
276 . 1 1 73 73 ALA CA C 13 54.225 0.2 . 1 . . . . 77 A CA . 16957 1
277 . 1 1 73 73 ALA CB C 13 16.212 0.2 . 1 . . . . 77 A CB . 16957 1
278 . 1 1 73 73 ALA N N 15 122.026 0.1 . 1 . . . . 77 A N . 16957 1
279 . 1 1 74 74 TYR H H 1 8.403 0.05 . 1 . . . . 78 Y H . 16957 1
280 . 1 1 74 74 TYR C C 13 178.912 0.2 . 1 . . . . 78 Y C . 16957 1
281 . 1 1 74 74 TYR CA C 13 61.462 0.2 . 1 . . . . 78 Y CA . 16957 1
282 . 1 1 74 74 TYR CB C 13 37.523 0.2 . 1 . . . . 78 Y CB . 16957 1
283 . 1 1 74 74 TYR N N 15 120.196 0.1 . 1 . . . . 78 Y N . 16957 1
284 . 1 1 75 75 LYS H H 1 8.591 0.05 . 1 . . . . 79 K H . 16957 1
285 . 1 1 75 75 LYS C C 13 177.804 0.2 . 1 . . . . 79 K C . 16957 1
286 . 1 1 75 75 LYS CA C 13 57.175 0.2 . 1 . . . . 79 K CA . 16957 1
287 . 1 1 75 75 LYS CB C 13 30.233 0.2 . 1 . . . . 79 K CB . 16957 1
288 . 1 1 75 75 LYS N N 15 121.661 0.1 . 1 . . . . 79 K N . 16957 1
289 . 1 1 76 76 SER H H 1 7.089 0.05 . 1 . . . . 80 S H . 16957 1
290 . 1 1 76 76 SER C C 13 175.495 0.2 . 1 . . . . 80 S C . 16957 1
291 . 1 1 76 76 SER CA C 13 60.323 0.2 . 1 . . . . 80 S CA . 16957 1
292 . 1 1 76 76 SER CB C 13 63.702 0.2 . 1 . . . . 80 S CB . 16957 1
293 . 1 1 76 76 SER N N 15 113.542 0.1 . 1 . . . . 80 S N . 16957 1
294 . 1 1 77 77 GLY H H 1 7.265 0.05 . 1 . . . . 81 G H . 16957 1
295 . 1 1 77 77 GLY C C 13 173.328 0.2 . 1 . . . . 81 G C . 16957 1
296 . 1 1 77 77 GLY CA C 13 44.928 0.2 . 1 . . . . 81 G CA . 16957 1
297 . 1 1 77 77 GLY N N 15 109.521 0.1 . 1 . . . . 81 G N . 16957 1
298 . 1 1 78 78 ASP H H 1 7.736 0.05 . 1 . . . . 82 D H . 16957 1
299 . 1 1 78 78 ASP CA C 13 51.192 0.2 . 1 . . . . 82 D CA . 16957 1
300 . 1 1 78 78 ASP CB C 13 39.791 0.2 . 1 . . . . 82 D CB . 16957 1
301 . 1 1 78 78 ASP N N 15 116.612 0.1 . 1 . . . . 82 D N . 16957 1
302 . 1 1 79 79 PRO C C 13 177.467 0.2 . 1 . . . . 83 P C . 16957 1
303 . 1 1 79 79 PRO CA C 13 65.097 0.2 . 1 . . . . 83 P CA . 16957 1
304 . 1 1 79 79 PRO CB C 13 30.968 0.2 . 1 . . . . 83 P CB . 16957 1
305 . 1 1 80 80 ALA H H 1 8.168 0.05 . 1 . . . . 84 A H . 16957 1
306 . 1 1 80 80 ALA C C 13 180.295 0.2 . 1 . . . . 84 A C . 16957 1
307 . 1 1 80 80 ALA CA C 13 55.005 0.2 . 1 . . . . 84 A CA . 16957 1
308 . 1 1 80 80 ALA CB C 13 17.584 0.2 . 1 . . . . 84 A CB . 16957 1
309 . 1 1 80 80 ALA N N 15 118.273 0.1 . 1 . . . . 84 A N . 16957 1
310 . 1 1 81 81 GLY H H 1 7.694 0.05 . 1 . . . . 85 G H . 16957 1
311 . 1 1 81 81 GLY C C 13 176.532 0.2 . 1 . . . . 85 G C . 16957 1
312 . 1 1 81 81 GLY CA C 13 46.810 0.2 . 1 . . . . 85 G CA . 16957 1
313 . 1 1 81 81 GLY N N 15 106.781 0.1 . 1 . . . . 85 G N . 16957 1
314 . 1 1 82 82 TYR H H 1 8.605 0.05 . 1 . . . . 86 Y H . 16957 1
315 . 1 1 82 82 TYR C C 13 179.467 0.2 . 1 . . . . 86 Y C . 16957 1
316 . 1 1 82 82 TYR CA C 13 62.086 0.2 . 1 . . . . 86 Y CA . 16957 1
317 . 1 1 82 82 TYR CB C 13 38.263 0.2 . 1 . . . . 86 Y CB . 16957 1
318 . 1 1 82 82 TYR N N 15 124.586 0.1 . 1 . . . . 86 Y N . 16957 1
319 . 1 1 83 83 VAL H H 1 8.099 0.05 . 1 . . . . 87 V H . 16957 1
320 . 1 1 83 83 VAL C C 13 177.434 0.2 . 1 . . . . 87 V C . 16957 1
321 . 1 1 83 83 VAL CA C 13 64.823 0.2 . 1 . . . . 87 V CA . 16957 1
322 . 1 1 83 83 VAL CB C 13 30.864 0.2 . 1 . . . . 87 V CB . 16957 1
323 . 1 1 83 83 VAL N N 15 121.152 0.1 . 1 . . . . 87 V N . 16957 1
324 . 1 1 84 84 LYS H H 1 7.231 0.05 . 1 . . . . 88 K H . 16957 1
325 . 1 1 84 84 LYS C C 13 178.465 0.2 . 1 . . . . 88 K C . 16957 1
326 . 1 1 84 84 LYS CA C 13 59.375 0.2 . 1 . . . . 88 K CA . 16957 1
327 . 1 1 84 84 LYS CB C 13 31.444 0.2 . 1 . . . . 88 K CB . 16957 1
328 . 1 1 84 84 LYS N N 15 115.366 0.1 . 1 . . . . 88 K N . 16957 1
329 . 1 1 85 85 LYS H H 1 7.323 0.05 . 1 . . . . 89 K H . 16957 1
330 . 1 1 85 85 LYS C C 13 177.599 0.2 . 1 . . . . 89 K C . 16957 1
331 . 1 1 85 85 LYS CA C 13 57.151 0.2 . 1 . . . . 89 K CA . 16957 1
332 . 1 1 85 85 LYS CB C 13 32.342 0.2 . 1 . . . . 89 K CB . 16957 1
333 . 1 1 85 85 LYS N N 15 115.808 0.1 . 1 . . . . 89 K N . 16957 1
334 . 1 1 86 86 THR H H 1 7.520 0.05 . 1 . . . . 90 T H . 16957 1
335 . 1 1 86 86 THR C C 13 175.212 0.2 . 1 . . . . 90 T C . 16957 1
336 . 1 1 86 86 THR CA C 13 60.374 0.2 . 1 . . . . 90 T CA . 16957 1
337 . 1 1 86 86 THR CB C 13 67.994 0.2 . 1 . . . . 90 T CB . 16957 1
338 . 1 1 86 86 THR N N 15 110.103 0.1 . 1 . . . . 90 T N . 16957 1
339 . 1 1 87 87 LEU H H 1 7.186 0.05 . 1 . . . . 91 L H . 16957 1
340 . 1 1 87 87 LEU C C 13 177.919 0.2 . 1 . . . . 91 L C . 16957 1
341 . 1 1 87 87 LEU CA C 13 57.806 0.2 . 1 . . . . 91 L CA . 16957 1
342 . 1 1 87 87 LEU CB C 13 41.599 0.2 . 1 . . . . 91 L CB . 16957 1
343 . 1 1 87 87 LEU N N 15 122.360 0.1 . 1 . . . . 91 L N . 16957 1
344 . 1 1 88 88 TYR H H 1 7.223 0.05 . 1 . . . . 92 Y H . 16957 1
345 . 1 1 88 88 TYR C C 13 175.882 0.2 . 1 . . . . 92 Y C . 16957 1
346 . 1 1 88 88 TYR CA C 13 58.755 0.2 . 1 . . . . 92 Y CA . 16957 1
347 . 1 1 88 88 TYR CB C 13 36.343 0.2 . 1 . . . . 92 Y CB . 16957 1
348 . 1 1 88 88 TYR N N 15 110.812 0.1 . 1 . . . . 92 Y N . 16957 1
349 . 1 1 89 89 GLU H H 1 7.838 0.05 . 1 . . . . 93 E H . 16957 1
350 . 1 1 89 89 GLU C C 13 177.047 0.2 . 1 . . . . 93 E C . 16957 1
351 . 1 1 89 89 GLU CA C 13 57.942 0.2 . 1 . . . . 93 E CA . 16957 1
352 . 1 1 89 89 GLU CB C 13 29.997 0.2 . 1 . . . . 93 E CB . 16957 1
353 . 1 1 89 89 GLU N N 15 120.109 0.1 . 1 . . . . 93 E N . 16957 1
354 . 1 1 90 90 ILE H H 1 7.274 0.05 . 1 . . . . 94 I H . 16957 1
355 . 1 1 90 90 ILE CA C 13 64.666 0.2 . 1 . . . . 94 I CA . 16957 1
356 . 1 1 90 90 ILE CB C 13 33.777 0.2 . 1 . . . . 94 I CB . 16957 1
357 . 1 1 90 90 ILE N N 15 117.284 0.1 . 1 . . . . 94 I N . 16957 1
358 . 1 1 91 91 PRO C C 13 175.514 0.2 . 1 . . . . 95 P C . 16957 1
359 . 1 1 91 91 PRO CA C 13 65.418 0.2 . 1 . . . . 95 P CA . 16957 1
360 . 1 1 92 92 ALA H H 1 7.050 0.05 . 1 . . . . 96 A H . 16957 1
361 . 1 1 92 92 ALA CA C 13 53.641 0.2 . 1 . . . . 96 A CA . 16957 1
362 . 1 1 92 92 ALA N N 15 112.531 0.1 . 1 . . . . 96 A N . 16957 1
363 . 1 1 93 93 LEU H H 1 7.548 0.05 . 1 . . . . 97 L H . 16957 1
364 . 1 1 93 93 LEU C C 13 175.819 0.2 . 1 . . . . 97 L C . 16957 1
365 . 1 1 93 93 LEU CA C 13 53.571 0.2 . 1 . . . . 97 L CA . 16957 1
366 . 1 1 93 93 LEU N N 15 113.448 0.1 . 1 . . . . 97 L N . 16957 1
367 . 1 1 94 94 VAL H H 1 7.055 0.05 . 1 . . . . 98 V H . 16957 1
368 . 1 1 94 94 VAL CA C 13 59.645 0.2 . 1 . . . . 98 V CA . 16957 1
369 . 1 1 94 94 VAL CB C 13 32.170 0.2 . 1 . . . . 98 V CB . 16957 1
370 . 1 1 94 94 VAL N N 15 119.556 0.1 . 1 . . . . 98 V N . 16957 1
371 . 1 1 96 96 ALA H H 1 9.888 0.05 . 1 . . . . 100 A H . 16957 1
372 . 1 1 96 96 ALA C C 13 180.405 0.2 . 1 . . . . 100 A C . 16957 1
373 . 1 1 96 96 ALA CA C 13 54.959 0.2 . 1 . . . . 100 A CA . 16957 1
374 . 1 1 96 96 ALA N N 15 132.456 0.1 . 1 . . . . 100 A N . 16957 1
375 . 1 1 97 97 GLY H H 1 9.540 0.05 . 1 . . . . 101 G H . 16957 1
376 . 1 1 97 97 GLY C C 13 174.901 0.2 . 1 . . . . 101 G C . 16957 1
377 . 1 1 97 97 GLY CA C 13 45.065 0.2 . 1 . . . . 101 G CA . 16957 1
378 . 1 1 97 97 GLY N N 15 105.054 0.1 . 1 . . . . 101 G N . 16957 1
379 . 1 1 98 98 LEU H H 1 7.071 0.05 . 1 . . . . 102 L H . 16957 1
380 . 1 1 98 98 LEU C C 13 177.920 0.2 . 1 . . . . 102 L C . 16957 1
381 . 1 1 98 98 LEU CA C 13 56.930 0.2 . 1 . . . . 102 L CA . 16957 1
382 . 1 1 98 98 LEU CB C 13 41.395 0.2 . 1 . . . . 102 L CB . 16957 1
383 . 1 1 98 98 LEU N N 15 118.446 0.1 . 1 . . . . 102 L N . 16957 1
384 . 1 1 99 99 LEU H H 1 6.837 0.05 . 1 . . . . 103 L H . 16957 1
385 . 1 1 99 99 LEU C C 13 178.209 0.2 . 1 . . . . 103 L C . 16957 1
386 . 1 1 99 99 LEU CA C 13 57.653 0.2 . 1 . . . . 103 L CA . 16957 1
387 . 1 1 99 99 LEU CB C 13 39.520 0.2 . 1 . . . . 103 L CB . 16957 1
388 . 1 1 99 99 LEU N N 15 116.742 0.1 . 1 . . . . 103 L N . 16957 1
389 . 1 1 100 100 ALA H H 1 7.574 0.05 . 1 . . . . 104 A H . 16957 1
390 . 1 1 100 100 ALA C C 13 180.462 0.2 . 1 . . . . 104 A C . 16957 1
391 . 1 1 100 100 ALA CA C 13 54.773 0.2 . 1 . . . . 104 A CA . 16957 1
392 . 1 1 100 100 ALA CB C 13 17.516 0.2 . 1 . . . . 104 A CB . 16957 1
393 . 1 1 100 100 ALA N N 15 120.338 0.1 . 1 . . . . 104 A N . 16957 1
394 . 1 1 101 101 LEU H H 1 7.603 0.05 . 1 . . . . 105 L H . 16957 1
395 . 1 1 101 101 LEU C C 13 178.955 0.2 . 1 . . . . 105 L C . 16957 1
396 . 1 1 101 101 LEU CA C 13 57.512 0.2 . 1 . . . . 105 L CA . 16957 1
397 . 1 1 101 101 LEU N N 15 119.161 0.1 . 1 . . . . 105 L N . 16957 1
398 . 1 1 102 102 ILE H H 1 7.793 0.05 . 1 . . . . 106 I H . 16957 1
399 . 1 1 102 102 ILE C C 13 177.604 0.2 . 1 . . . . 106 I C . 16957 1
400 . 1 1 102 102 ILE CA C 13 64.958 0.2 . 1 . . . . 106 I CA . 16957 1
401 . 1 1 102 102 ILE N N 15 118.433 0.1 . 1 . . . . 106 I N . 16957 1
402 . 1 1 103 103 GLU H H 1 8.625 0.05 . 1 . . . . 107 E H . 16957 1
403 . 1 1 103 103 GLU C C 13 178.449 0.2 . 1 . . . . 107 E C . 16957 1
404 . 1 1 103 103 GLU CA C 13 60.387 0.2 . 1 . . . . 107 E CA . 16957 1
405 . 1 1 103 103 GLU CB C 13 29.199 0.2 . 1 . . . . 107 E CB . 16957 1
406 . 1 1 103 103 GLU N N 15 120.763 0.1 . 1 . . . . 107 E N . 16957 1
407 . 1 1 104 104 GLY H H 1 8.116 0.05 . 1 . . . . 108 G H . 16957 1
408 . 1 1 104 104 GLY C C 13 176.772 0.2 . 1 . . . . 108 G C . 16957 1
409 . 1 1 104 104 GLY CA C 13 46.781 0.2 . 1 . . . . 108 G CA . 16957 1
410 . 1 1 104 104 GLY N N 15 104.583 0.1 . 1 . . . . 108 G N . 16957 1
411 . 1 1 105 105 HIS H H 1 7.899 0.05 . 1 . . . . 109 H H . 16957 1
412 . 1 1 105 105 HIS C C 13 177.993 0.2 . 1 . . . . 109 H C . 16957 1
413 . 1 1 105 105 HIS CA C 13 59.177 0.2 . 1 . . . . 109 H CA . 16957 1
414 . 1 1 105 105 HIS N N 15 122.627 0.1 . 1 . . . . 109 H N . 16957 1
415 . 1 1 106 106 LEU H H 1 8.327 0.05 . 1 . . . . 110 L H . 16957 1
416 . 1 1 106 106 LEU C C 13 179.199 0.2 . 1 . . . . 110 L C . 16957 1
417 . 1 1 106 106 LEU CA C 13 57.251 0.2 . 1 . . . . 110 L CA . 16957 1
418 . 1 1 106 106 LEU N N 15 118.265 0.1 . 1 . . . . 110 L N . 16957 1
419 . 1 1 107 107 ALA H H 1 8.562 0.05 . 1 . . . . 111 A H . 16957 1
420 . 1 1 107 107 ALA C C 13 181.636 0.2 . 1 . . . . 111 A C . 16957 1
421 . 1 1 107 107 ALA CA C 13 54.803 0.2 . 1 . . . . 111 A CA . 16957 1
422 . 1 1 107 107 ALA CB C 13 17.260 0.2 . 1 . . . . 111 A CB . 16957 1
423 . 1 1 107 107 ALA N N 15 122.346 0.1 . 1 . . . . 111 A N . 16957 1
424 . 1 1 108 108 GLY H H 1 7.881 0.05 . 1 . . . . 112 G H . 16957 1
425 . 1 1 108 108 GLY C C 13 175.342 0.2 . 1 . . . . 112 G C . 16957 1
426 . 1 1 108 108 GLY CA C 13 46.227 0.2 . 1 . . . . 112 G CA . 16957 1
427 . 1 1 108 108 GLY N N 15 107.483 0.1 . 1 . . . . 112 G N . 16957 1
428 . 1 1 109 109 LEU H H 1 7.149 0.05 . 1 . . . . 113 L H . 16957 1
429 . 1 1 109 109 LEU C C 13 177.360 0.2 . 1 . . . . 113 L C . 16957 1
430 . 1 1 109 109 LEU CA C 13 54.476 0.2 . 1 . . . . 113 L CA . 16957 1
431 . 1 1 109 109 LEU N N 15 119.171 0.1 . 1 . . . . 113 L N . 16957 1
432 . 1 1 110 110 GLY H H 1 7.737 0.05 . 1 . . . . 114 G H . 16957 1
433 . 1 1 110 110 GLY C C 13 175.588 0.2 . 1 . . . . 114 G C . 16957 1
434 . 1 1 110 110 GLY CA C 13 45.177 0.2 . 1 . . . . 114 G CA . 16957 1
435 . 1 1 110 110 GLY N N 15 107.626 0.1 . 1 . . . . 114 G N . 16957 1
436 . 1 1 111 111 LEU H H 1 7.548 0.05 . 1 . . . . 115 L H . 16957 1
437 . 1 1 111 111 LEU C C 13 178.041 0.2 . 1 . . . . 115 L C . 16957 1
438 . 1 1 111 111 LEU N N 15 122.567 0.1 . 1 . . . . 115 L N . 16957 1
439 . 1 1 112 112 PHE H H 1 7.570 0.05 . 1 . . . . 116 F H . 16957 1
440 . 1 1 112 112 PHE CA C 13 61.194 0.2 . 1 . . . . 116 F CA . 16957 1
441 . 1 1 112 112 PHE CB C 13 37.959 0.2 . 1 . . . . 116 F CB . 16957 1
442 . 1 1 112 112 PHE N N 15 119.946 0.1 . 1 . . . . 116 F N . 16957 1
443 . 1 1 113 113 ARG C C 13 178.521 0.2 . 1 . . . . 117 R C . 16957 1
444 . 1 1 113 113 ARG CA C 13 59.404 0.2 . 1 . . . . 117 R CA . 16957 1
445 . 1 1 114 114 LEU H H 1 7.312 0.05 . 1 . . . . 118 L H . 16957 1
446 . 1 1 114 114 LEU C C 13 178.906 0.2 . 1 . . . . 118 L C . 16957 1
447 . 1 1 114 114 LEU CA C 13 56.677 0.2 . 1 . . . . 118 L CA . 16957 1
448 . 1 1 114 114 LEU N N 15 117.674 0.1 . 1 . . . . 118 L N . 16957 1
449 . 1 1 115 115 VAL H H 1 7.807 0.05 . 1 . . . . 119 V H . 16957 1
450 . 1 1 115 115 VAL C C 13 177.650 0.2 . 1 . . . . 119 V C . 16957 1
451 . 1 1 115 115 VAL CA C 13 67.068 0.2 . 1 . . . . 119 V CA . 16957 1
452 . 1 1 115 115 VAL N N 15 120.141 0.1 . 1 . . . . 119 V N . 16957 1
453 . 1 1 116 116 ARG H H 1 7.672 0.05 . 1 . . . . 120 R H . 16957 1
454 . 1 1 116 116 ARG C C 13 178.466 0.2 . 1 . . . . 120 R C . 16957 1
455 . 1 1 116 116 ARG CA C 13 59.521 0.2 . 1 . . . . 120 R CA . 16957 1
456 . 1 1 116 116 ARG CB C 13 29.103 0.2 . 1 . . . . 120 R CB . 16957 1
457 . 1 1 116 116 ARG N N 15 118.048 0.1 . 1 . . . . 120 R N . 16957 1
458 . 1 1 117 117 LEU H H 1 7.452 0.05 . 1 . . . . 121 L H . 16957 1
459 . 1 1 117 117 LEU C C 13 178.300 0.2 . 1 . . . . 121 L C . 16957 1
460 . 1 1 117 117 LEU CA C 13 57.825 0.2 . 1 . . . . 121 L CA . 16957 1
461 . 1 1 117 117 LEU CB C 13 40.713 0.2 . 1 . . . . 121 L CB . 16957 1
462 . 1 1 117 117 LEU N N 15 118.674 0.1 . 1 . . . . 121 L N . 16957 1
463 . 1 1 118 118 LEU H H 1 8.073 0.05 . 1 . . . . 122 L H . 16957 1
464 . 1 1 118 118 LEU CA C 13 57.222 0.2 . 1 . . . . 122 L CA . 16957 1
465 . 1 1 118 118 LEU N N 15 120.916 0.1 . 1 . . . . 122 L N . 16957 1
466 . 1 1 119 119 ARG H H 1 8.283 0.05 . 1 . . . . 123 R H . 16957 1
467 . 1 1 119 119 ARG C C 13 179.065 0.2 . 1 . . . . 123 R C . 16957 1
468 . 1 1 119 119 ARG CA C 13 59.349 0.2 . 1 . . . . 123 R CA . 16957 1
469 . 1 1 119 119 ARG N N 15 119.331 0.1 . 1 . . . . 123 R N . 16957 1
470 . 1 1 120 120 PHE H H 1 8.000 0.05 . 1 . . . . 124 F H . 16957 1
471 . 1 1 120 120 PHE C C 13 177.458 0.2 . 1 . . . . 124 F C . 16957 1
472 . 1 1 120 120 PHE CA C 13 60.398 0.2 . 1 . . . . 124 F CA . 16957 1
473 . 1 1 120 120 PHE N N 15 119.695 0.1 . 1 . . . . 124 F N . 16957 1
474 . 1 1 121 121 LEU H H 1 8.315 0.05 . 1 . . . . 125 L H . 16957 1
475 . 1 1 121 121 LEU C C 13 178.615 0.2 . 1 . . . . 125 L C . 16957 1
476 . 1 1 121 121 LEU CA C 13 57.538 0.2 . 1 . . . . 125 L CA . 16957 1
477 . 1 1 121 121 LEU N N 15 118.651 0.1 . 1 . . . . 125 L N . 16957 1
478 . 1 1 122 122 ARG H H 1 8.076 0.05 . 1 . . . . 126 R H . 16957 1
479 . 1 1 122 122 ARG C C 13 178.174 0.2 . 1 . . . . 126 R C . 16957 1
480 . 1 1 122 122 ARG CA C 13 59.820 0.2 . 1 . . . . 126 R CA . 16957 1
481 . 1 1 122 122 ARG N N 15 118.448 0.1 . 1 . . . . 126 R N . 16957 1
482 . 1 1 123 123 ILE H H 1 7.681 0.05 . 1 . . . . 127 I H . 16957 1
483 . 1 1 123 123 ILE CA C 13 64.286 0.2 . 1 . . . . 127 I CA . 16957 1
484 . 1 1 123 123 ILE N N 15 118.362 0.1 . 1 . . . . 127 I N . 16957 1
485 . 1 1 124 124 LEU H H 1 7.484 0.05 . 1 . . . . 128 L H . 16957 1
486 . 1 1 124 124 LEU CA C 13 57.661 0.2 . 1 . . . . 128 L CA . 16957 1
487 . 1 1 124 124 LEU N N 15 118.609 0.1 . 1 . . . . 128 L N . 16957 1
488 . 1 1 125 125 LEU H H 1 8.066 0.05 . 1 . . . . 129 L H . 16957 1
489 . 1 1 125 125 LEU N N 15 121.058 0.1 . 1 . . . . 129 L N . 16957 1
490 . 1 1 126 126 ILE H H 1 8.049 0.05 . 1 . . . . 130 I H . 16957 1
491 . 1 1 126 126 ILE N N 15 119.402 0.1 . 1 . . . . 130 I N . 16957 1
492 . 1 1 127 127 ILE H H 1 8.085 0.05 . 1 . . . . 131 I H . 16957 1
493 . 1 1 127 127 ILE CA C 13 64.934 0.2 . 1 . . . . 131 I CA . 16957 1
494 . 1 1 127 127 ILE N N 15 119.538 0.1 . 1 . . . . 131 I N . 16957 1
495 . 1 1 128 128 SER H H 1 8.558 0.05 . 1 . . . . 132 S H . 16957 1
496 . 1 1 128 128 SER C C 13 178.056 0.2 . 1 . . . . 132 S C . 16957 1
497 . 1 1 128 128 SER CA C 13 62.106 0.2 . 1 . . . . 132 S CA . 16957 1
498 . 1 1 128 128 SER CB C 13 62.858 0.2 . 1 . . . . 132 S CB . 16957 1
499 . 1 1 128 128 SER N N 15 115.960 0.1 . 1 . . . . 132 S N . 16957 1
500 . 1 1 129 129 ARG H H 1 8.682 0.05 . 1 . . . . 133 R H . 16957 1
501 . 1 1 129 129 ARG C C 13 178.929 0.2 . 1 . . . . 133 R C . 16957 1
502 . 1 1 129 129 ARG N N 15 120.571 0.1 . 1 . . . . 133 R N . 16957 1
503 . 1 1 130 130 GLY H H 1 8.666 0.05 . 1 . . . . 134 G H . 16957 1
504 . 1 1 130 130 GLY C C 13 174.841 0.2 . 1 . . . . 134 G C . 16957 1
505 . 1 1 130 130 GLY CA C 13 47.114 0.2 . 1 . . . . 134 G CA . 16957 1
506 . 1 1 130 130 GLY N N 15 107.484 0.1 . 1 . . . . 134 G N . 16957 1
507 . 1 1 131 131 SER H H 1 8.492 0.05 . 1 . . . . 135 S H . 16957 1
508 . 1 1 131 131 SER C C 13 176.581 0.2 . 1 . . . . 135 S C . 16957 1
509 . 1 1 131 131 SER CA C 13 61.905 0.2 . 1 . . . . 135 S CA . 16957 1
510 . 1 1 131 131 SER N N 15 117.624 0.1 . 1 . . . . 135 S N . 16957 1
511 . 1 1 132 132 LYS H H 1 8.034 0.05 . 1 . . . . 136 K H . 16957 1
512 . 1 1 132 132 LYS C C 13 178.785 0.2 . 1 . . . . 136 K C . 16957 1
513 . 1 1 132 132 LYS CA C 13 58.558 0.2 . 1 . . . . 136 K CA . 16957 1
514 . 1 1 132 132 LYS N N 15 122.378 0.1 . 1 . . . . 136 K N . 16957 1
515 . 1 1 133 133 PHE H H 1 7.940 0.05 . 1 . . . . 137 F H . 16957 1
516 . 1 1 133 133 PHE C C 13 175.809 0.2 . 1 . . . . 137 F C . 16957 1
517 . 1 1 133 133 PHE CA C 13 60.457 0.2 . 1 . . . . 137 F CA . 16957 1
518 . 1 1 133 133 PHE N N 15 119.228 0.1 . 1 . . . . 137 F N . 16957 1
519 . 1 1 134 134 LEU H H 1 7.903 0.05 . 1 . . . . 138 L H . 16957 1
520 . 1 1 134 134 LEU C C 13 178.939 0.2 . 1 . . . . 138 L C . 16957 1
521 . 1 1 134 134 LEU CA C 13 57.322 0.2 . 1 . . . . 138 L CA . 16957 1
522 . 1 1 134 134 LEU N N 15 118.378 0.1 . 1 . . . . 138 L N . 16957 1
523 . 1 1 135 135 SER H H 1 8.263 0.05 . 1 . . . . 139 S H . 16957 1
524 . 1 1 135 135 SER C C 13 176.288 0.2 . 1 . . . . 139 S C . 16957 1
525 . 1 1 135 135 SER CA C 13 61.203 0.2 . 1 . . . . 139 S CA . 16957 1
526 . 1 1 135 135 SER CB C 13 62.512 0.2 . 1 . . . . 139 S CB . 16957 1
527 . 1 1 135 135 SER N N 15 114.150 0.1 . 1 . . . . 139 S N . 16957 1
528 . 1 1 136 136 ALA H H 1 7.956 0.05 . 1 . . . . 140 A H . 16957 1
529 . 1 1 136 136 ALA C C 13 180.348 0.2 . 1 . . . . 140 A C . 16957 1
530 . 1 1 136 136 ALA CA C 13 54.468 0.2 . 1 . . . . 140 A CA . 16957 1
531 . 1 1 136 136 ALA N N 15 124.280 0.1 . 1 . . . . 140 A N . 16957 1
532 . 1 1 137 137 ILE H H 1 7.860 0.05 . 1 . . . . 141 I H . 16957 1
533 . 1 1 137 137 ILE C C 13 177.045 0.2 . 1 . . . . 141 I C . 16957 1
534 . 1 1 137 137 ILE CA C 13 62.570 0.2 . 1 . . . . 141 I CA . 16957 1
535 . 1 1 137 137 ILE CB C 13 39.769 0.2 . 1 . . . . 141 I CB . 16957 1
536 . 1 1 137 137 ILE N N 15 116.964 0.1 . 1 . . . . 141 I N . 16957 1
537 . 1 1 138 138 ALA H H 1 7.693 0.05 . 1 . . . . 142 A H . 16957 1
538 . 1 1 138 138 ALA C C 13 179.802 0.2 . 1 . . . . 142 A C . 16957 1
539 . 1 1 138 138 ALA CA C 13 54.650 0.2 . 1 . . . . 142 A CA . 16957 1
540 . 1 1 138 138 ALA N N 15 123.933 0.1 . 1 . . . . 142 A N . 16957 1
541 . 1 1 139 139 ASP H H 1 7.867 0.05 . 1 . . . . 143 D H . 16957 1
542 . 1 1 139 139 ASP C C 13 178.059 0.2 . 1 . . . . 143 D C . 16957 1
543 . 1 1 139 139 ASP CA C 13 56.403 0.2 . 1 . . . . 143 D CA . 16957 1
544 . 1 1 139 139 ASP CB C 13 40.659 0.2 . 1 . . . . 143 D CB . 16957 1
545 . 1 1 139 139 ASP N N 15 118.233 0.1 . 1 . . . . 143 D N . 16957 1
546 . 1 1 140 140 ALA H H 1 7.903 0.05 . 1 . . . . 144 A H . 16957 1
547 . 1 1 140 140 ALA C C 13 179.302 0.2 . 1 . . . . 144 A C . 16957 1
548 . 1 1 140 140 ALA CA C 13 54.028 0.2 . 1 . . . . 144 A CA . 16957 1
549 . 1 1 140 140 ALA N N 15 121.325 0.1 . 1 . . . . 144 A N . 16957 1
550 . 1 1 141 141 ALA H H 1 8.247 0.05 . 1 . . . . 145 A H . 16957 1
551 . 1 1 141 141 ALA C C 13 179.008 0.2 . 1 . . . . 145 A C . 16957 1
552 . 1 1 141 141 ALA CA C 13 54.639 0.2 . 1 . . . . 145 A CA . 16957 1
553 . 1 1 141 141 ALA CB C 13 17.521 0.2 . 1 . . . . 145 A CB . 16957 1
554 . 1 1 141 141 ALA N N 15 119.704 0.1 . 1 . . . . 145 A N . 16957 1
555 . 1 1 142 142 ASP H H 1 7.779 0.05 . 1 . . . . 146 D H . 16957 1
556 . 1 1 142 142 ASP C C 13 177.615 0.2 . 1 . . . . 146 D C . 16957 1
557 . 1 1 142 142 ASP CA C 13 56.110 0.2 . 1 . . . . 146 D CA . 16957 1
558 . 1 1 142 142 ASP CB C 13 41.038 0.2 . 1 . . . . 146 D CB . 16957 1
559 . 1 1 142 142 ASP N N 15 116.554 0.1 . 1 . . . . 146 D N . 16957 1
560 . 1 1 143 143 LYS H H 1 7.555 0.05 . 1 . . . . 147 K H . 16957 1
561 . 1 1 143 143 LYS C C 13 177.528 0.2 . 1 . . . . 147 K C . 16957 1
562 . 1 1 143 143 LYS CA C 13 56.765 0.2 . 1 . . . . 147 K CA . 16957 1
563 . 1 1 143 143 LYS CB C 13 32.210 0.2 . 1 . . . . 147 K CB . 16957 1
564 . 1 1 143 143 LYS N N 15 116.472 0.1 . 1 . . . . 147 K N . 16957 1
565 . 1 1 144 144 LEU H H 1 7.738 0.05 . 1 . . . . 148 L H . 16957 1
566 . 1 1 144 144 LEU C C 13 176.725 0.2 . 1 . . . . 148 L C . 16957 1
567 . 1 1 144 144 LEU CA C 13 55.331 0.2 . 1 . . . . 148 L CA . 16957 1
568 . 1 1 144 144 LEU CB C 13 42.389 0.2 . 1 . . . . 148 L CB . 16957 1
569 . 1 1 144 144 LEU N N 15 118.854 0.1 . 1 . . . . 148 L N . 16957 1
570 . 1 1 145 145 VAL H H 1 7.569 0.05 . 1 . . . . 149 V H . 16957 1
571 . 1 1 145 145 VAL CA C 13 59.661 0.2 . 1 . . . . 149 V CA . 16957 1
572 . 1 1 145 145 VAL CB C 13 31.699 0.2 . 1 . . . . 149 V CB . 16957 1
573 . 1 1 145 145 VAL N N 15 119.646 0.1 . 1 . . . . 149 V N . 16957 1
574 . 1 1 146 146 PRO C C 13 176.048 0.2 . 1 . . . . 150 P C . 16957 1
575 . 1 1 146 146 PRO CA C 13 63.069 0.2 . 1 . . . . 150 P CA . 16957 1
576 . 1 1 146 146 PRO CB C 13 30.992 0.2 . 1 . . . . 150 P CB . 16957 1
577 . 1 1 147 147 ARG H H 1 7.832 0.05 . 1 . . . . 151 R H . 16957 1
578 . 1 1 147 147 ARG CA C 13 56.912 0.2 . 1 . . . . 151 R CA . 16957 1
579 . 1 1 147 147 ARG N N 15 127.098 0.1 . 1 . . . . 151 R N . 16957 1
stop_
save_
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 16957
_Assigned_chem_shift_list.ID 2
_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 0.05
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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' . . . 16957 2
5 '3D HCCH-COSY' . . . 16957 2
7 '3D 1H-15N NOESY' . . . 16957 2
8 '3D 1H-13C NOESY' . . . 16957 2
9 '3D 1H-13C NOESY' . . . 16957 2
11 '2D 1H-15N HSQC' . . . 16957 2
26 '3D 1H-15N NOESY' . . . 16957 2
27 '3D 1H-13C NOESYaro' . . . 16957 2
28 '2D 1H-13C HSQC' . . . 16957 2
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $SPARKY . . 16957 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 3 3 GLY HA2 H 1 4.014 0.05 . 2 . . . . 7 G HA . 16957 2
2 . 1 1 3 3 GLY HA3 H 1 4.014 0.05 . 2 . . . . 7 G HA . 16957 2
3 . 1 1 3 3 GLY CA C 13 44.937 0.2 . 1 . . . . 7 G CA . 16957 2
4 . 1 1 4 4 LEU HA H 1 4.079 0.05 . 1 . . . . 8 L HA . 16957 2
5 . 1 1 4 4 LEU HB2 H 1 1.840 0.05 . 2 . . . . 8 L HB2 . 16957 2
6 . 1 1 4 4 LEU HB3 H 1 1.636 0.05 . 2 . . . . 8 L HB3 . 16957 2
7 . 1 1 4 4 LEU HD11 H 1 0.866 0.05 . 2 . . . . 8 L HD . 16957 2
8 . 1 1 4 4 LEU HD12 H 1 0.866 0.05 . 2 . . . . 8 L HD . 16957 2
9 . 1 1 4 4 LEU HD13 H 1 0.866 0.05 . 2 . . . . 8 L HD . 16957 2
10 . 1 1 4 4 LEU HD21 H 1 0.866 0.05 . 2 . . . . 8 L HD . 16957 2
11 . 1 1 4 4 LEU HD22 H 1 0.866 0.05 . 2 . . . . 8 L HD . 16957 2
12 . 1 1 4 4 LEU HD23 H 1 0.866 0.05 . 2 . . . . 8 L HD . 16957 2
13 . 1 1 4 4 LEU CA C 13 57.629 0.2 . 1 . . . . 8 L CA . 16957 2
14 . 1 1 4 4 LEU CB C 13 42.326 0.2 . 1 . . . . 8 L CB . 16957 2
15 . 1 1 5 5 SER HA H 1 4.341 0.05 . 1 . . . . 9 S HA . 16957 2
16 . 1 1 5 5 SER HB2 H 1 3.894 0.05 . 2 . . . . 9 S HB2 . 16957 2
17 . 1 1 5 5 SER HB3 H 1 3.828 0.05 . 2 . . . . 9 S HB3 . 16957 2
18 . 1 1 5 5 SER CA C 13 59.050 0.2 . 1 . . . . 9 S CA . 16957 2
19 . 1 1 5 5 SER CB C 13 63.240 0.2 . 1 . . . . 9 S CB . 16957 2
20 . 1 1 6 6 ASP HA H 1 4.599 0.05 . 1 . . . . 10 D HA . 16957 2
21 . 1 1 6 6 ASP HB2 H 1 2.693 0.05 . 2 . . . . 10 D HB . 16957 2
22 . 1 1 6 6 ASP HB3 H 1 2.693 0.05 . 2 . . . . 10 D HB . 16957 2
23 . 1 1 6 6 ASP CA C 13 54.450 0.2 . 1 . . . . 10 D CA . 16957 2
24 . 1 1 6 6 ASP CB C 13 41.052 0.2 . 1 . . . . 10 D CB . 16957 2
25 . 1 1 7 7 LEU H H 1 8.033 0.05 . 1 . . . . 11 L H . 16957 2
26 . 1 1 7 7 LEU HA H 1 4.220 0.05 . 1 . . . . 11 L HA . 16957 2
27 . 1 1 7 7 LEU HB2 H 1 1.704 0.05 . 2 . . . . 11 L HB2 . 16957 2
28 . 1 1 7 7 LEU HB3 H 1 1.624 0.05 . 2 . . . . 11 L HB3 . 16957 2
29 . 1 1 7 7 LEU HD11 H 1 0.885 0.05 . 1 . . . . 11 L HD1 . 16957 2
30 . 1 1 7 7 LEU HD12 H 1 0.885 0.05 . 1 . . . . 11 L HD1 . 16957 2
31 . 1 1 7 7 LEU HD13 H 1 0.885 0.05 . 1 . . . . 11 L HD1 . 16957 2
32 . 1 1 7 7 LEU HD21 H 1 0.833 0.05 . 1 . . . . 11 L HD2 . 16957 2
33 . 1 1 7 7 LEU HD22 H 1 0.833 0.05 . 1 . . . . 11 L HD2 . 16957 2
34 . 1 1 7 7 LEU HD23 H 1 0.833 0.05 . 1 . . . . 11 L HD2 . 16957 2
35 . 1 1 7 7 LEU HG H 1 1.635 0.05 . 1 . . . . 11 L HG . 16957 2
36 . 1 1 7 7 LEU CA C 13 55.776 0.2 . 1 . . . . 11 L CA . 16957 2
37 . 1 1 7 7 LEU CB C 13 41.908 0.2 . 1 . . . . 11 L CB . 16957 2
38 . 1 1 7 7 LEU CD1 C 13 25.017 0.2 . 1 . . . . 11 L CD1 . 16957 2
39 . 1 1 7 7 LEU CD2 C 13 23.540 0.2 . 1 . . . . 11 L CD2 . 16957 2
40 . 1 1 7 7 LEU CG C 13 26.991 0.2 . 1 . . . . 11 L CG . 16957 2
41 . 1 1 7 7 LEU N N 15 121.116 0.1 . 1 . . . . 11 L N . 16957 2
42 . 1 1 8 8 GLY H H 1 8.300 0.05 . 1 . . . . 12 G H . 16957 2
43 . 1 1 8 8 GLY HA2 H 1 3.907 0.05 . 2 . . . . 12 G HA . 16957 2
44 . 1 1 8 8 GLY HA3 H 1 3.907 0.05 . 2 . . . . 12 G HA . 16957 2
45 . 1 1 8 8 GLY CA C 13 45.769 0.2 . 1 . . . . 12 G CA . 16957 2
46 . 1 1 8 8 GLY N N 15 107.475 0.1 . 1 . . . . 12 G N . 16957 2
47 . 1 1 9 9 GLY H H 1 8.144 0.05 . 1 . . . . 13 G H . 16957 2
48 . 1 1 9 9 GLY HA2 H 1 3.936 0.05 . 2 . . . . 13 G HA . 16957 2
49 . 1 1 9 9 GLY HA3 H 1 3.936 0.05 . 2 . . . . 13 G HA . 16957 2
50 . 1 1 9 9 GLY CA C 13 45.394 0.2 . 1 . . . . 13 G CA . 16957 2
51 . 1 1 9 9 GLY N N 15 108.139 0.1 . 1 . . . . 13 G N . 16957 2
52 . 1 1 10 10 ARG H H 1 8.010 0.05 . 1 . . . . 14 R H . 16957 2
53 . 1 1 10 10 ARG HA H 1 4.336 0.05 . 1 . . . . 14 R HA . 16957 2
54 . 1 1 10 10 ARG HB2 H 1 1.859 0.05 . 2 . . . . 14 R HB2 . 16957 2
55 . 1 1 10 10 ARG HB3 H 1 1.783 0.05 . 2 . . . . 14 R HB3 . 16957 2
56 . 1 1 10 10 ARG HD2 H 1 3.175 0.05 . 2 . . . . 14 R HD . 16957 2
57 . 1 1 10 10 ARG HD3 H 1 3.175 0.05 . 2 . . . . 14 R HD . 16957 2
58 . 1 1 10 10 ARG HG2 H 1 1.644 0.05 . 2 . . . . 14 R HG . 16957 2
59 . 1 1 10 10 ARG HG3 H 1 1.644 0.05 . 2 . . . . 14 R HG . 16957 2
60 . 1 1 10 10 ARG CA C 13 56.267 0.2 . 1 . . . . 14 R CA . 16957 2
61 . 1 1 10 10 ARG CB C 13 30.862 0.2 . 1 . . . . 14 R CB . 16957 2
62 . 1 1 10 10 ARG CD C 13 43.187 0.2 . 1 . . . . 14 R CD . 16957 2
63 . 1 1 10 10 ARG CG C 13 26.731 0.2 . 1 . . . . 14 R CG . 16957 2
64 . 1 1 10 10 ARG N N 15 119.856 0.1 . 1 . . . . 14 R N . 16957 2
65 . 1 1 11 11 VAL H H 1 7.953 0.05 . 1 . . . . 15 V H . 16957 2
66 . 1 1 11 11 VAL HA H 1 4.082 0.05 . 1 . . . . 15 V HA . 16957 2
67 . 1 1 11 11 VAL HB H 1 2.078 0.05 . 1 . . . . 15 V HB . 16957 2
68 . 1 1 11 11 VAL HG11 H 1 0.897 0.05 . 1 . . . . 15 V HG1 . 16957 2
69 . 1 1 11 11 VAL HG12 H 1 0.897 0.05 . 1 . . . . 15 V HG1 . 16957 2
70 . 1 1 11 11 VAL HG13 H 1 0.897 0.05 . 1 . . . . 15 V HG1 . 16957 2
71 . 1 1 11 11 VAL HG21 H 1 0.907 0.05 . 1 . . . . 15 V HG2 . 16957 2
72 . 1 1 11 11 VAL HG22 H 1 0.907 0.05 . 1 . . . . 15 V HG2 . 16957 2
73 . 1 1 11 11 VAL HG23 H 1 0.907 0.05 . 1 . . . . 15 V HG2 . 16957 2
74 . 1 1 11 11 VAL CA C 13 62.233 0.2 . 1 . . . . 15 V CA . 16957 2
75 . 1 1 11 11 VAL CB C 13 32.339 0.2 . 1 . . . . 15 V CB . 16957 2
76 . 1 1 11 11 VAL CG1 C 13 21.468 0.2 . 1 . . . . 15 V CG1 . 16957 2
77 . 1 1 11 11 VAL CG2 C 13 20.933 0.2 . 1 . . . . 15 V CG2 . 16957 2
78 . 1 1 11 11 VAL N N 15 119.042 0.1 . 1 . . . . 15 V N . 16957 2
79 . 1 1 12 12 ARG H H 1 8.450 0.05 . 1 . . . . 16 R H . 16957 2
80 . 1 1 12 12 ARG HA H 1 4.328 0.05 . 1 . . . . 16 R HA . 16957 2
81 . 1 1 12 12 ARG HB2 H 1 1.840 0.05 . 2 . . . . 16 R HB2 . 16957 2
82 . 1 1 12 12 ARG HB3 H 1 1.773 0.05 . 2 . . . . 16 R HB3 . 16957 2
83 . 1 1 12 12 ARG HG2 H 1 1.643 0.05 . 2 . . . . 16 R HG . 16957 2
84 . 1 1 12 12 ARG HG3 H 1 1.643 0.05 . 2 . . . . 16 R HG . 16957 2
85 . 1 1 12 12 ARG CB C 13 31.145 0.2 . 1 . . . . 16 R CB . 16957 2
86 . 1 1 12 12 ARG N N 15 123.495 0.1 . 1 . . . . 16 R N . 16957 2
87 . 1 1 13 13 ASN H H 1 8.226 0.05 . 1 . . . . 17 N H . 16957 2
88 . 1 1 13 13 ASN HA H 1 4.798 0.05 . 1 . . . . 17 N HA . 16957 2
89 . 1 1 13 13 ASN HB2 H 1 2.930 0.05 . 2 . . . . 17 N HB2 . 16957 2
90 . 1 1 13 13 ASN HB3 H 1 2.845 0.05 . 2 . . . . 17 N HB3 . 16957 2
91 . 1 1 13 13 ASN HD21 H 1 7.644 0.05 . 2 . . . . 17 N HD21 . 16957 2
92 . 1 1 13 13 ASN HD22 H 1 6.849 0.05 . 2 . . . . 17 N HD22 . 16957 2
93 . 1 1 13 13 ASN CA C 13 52.647 0.2 . 1 . . . . 17 N CA . 16957 2
94 . 1 1 13 13 ASN CB C 13 39.623 0.2 . 1 . . . . 17 N CB . 16957 2
95 . 1 1 13 13 ASN N N 15 117.760 0.1 . 1 . . . . 17 N N . 16957 2
96 . 1 1 13 13 ASN ND2 N 15 113.086 0.1 . 1 . . . . 17 N ND2 . 16957 2
97 . 1 1 14 14 ILE H H 1 8.391 0.05 . 1 . . . . 18 I H . 16957 2
98 . 1 1 14 14 ILE HA H 1 3.989 0.05 . 1 . . . . 18 I HA . 16957 2
99 . 1 1 14 14 ILE HB H 1 1.913 0.05 . 1 . . . . 18 I HB . 16957 2
100 . 1 1 14 14 ILE HD11 H 1 0.871 0.05 . 1 . . . . 18 I HD1 . 16957 2
101 . 1 1 14 14 ILE HD12 H 1 0.871 0.05 . 1 . . . . 18 I HD1 . 16957 2
102 . 1 1 14 14 ILE HD13 H 1 0.871 0.05 . 1 . . . . 18 I HD1 . 16957 2
103 . 1 1 14 14 ILE HG12 H 1 1.497 0.05 . 2 . . . . 18 I HG12 . 16957 2
104 . 1 1 14 14 ILE HG13 H 1 1.240 0.05 . 2 . . . . 18 I HG13 . 16957 2
105 . 1 1 14 14 ILE HG21 H 1 0.948 0.05 . 1 . . . . 18 I HG2 . 16957 2
106 . 1 1 14 14 ILE HG22 H 1 0.948 0.05 . 1 . . . . 18 I HG2 . 16957 2
107 . 1 1 14 14 ILE HG23 H 1 0.948 0.05 . 1 . . . . 18 I HG2 . 16957 2
108 . 1 1 14 14 ILE CA C 13 62.639 0.2 . 1 . . . . 18 I CA . 16957 2
109 . 1 1 14 14 ILE CB C 13 38.174 0.2 . 1 . . . . 18 I CB . 16957 2
110 . 1 1 14 14 ILE CD1 C 13 13.522 0.2 . 1 . . . . 18 I CD1 . 16957 2
111 . 1 1 14 14 ILE CG1 C 13 28.493 0.2 . 1 . . . . 18 I CG1 . 16957 2
112 . 1 1 14 14 ILE CG2 C 13 17.948 0.2 . 1 . . . . 18 I CG2 . 16957 2
113 . 1 1 14 14 ILE N N 15 120.395 0.1 . 1 . . . . 18 I N . 16957 2
114 . 1 1 15 15 GLY H H 1 8.527 0.05 . 1 . . . . 19 G H . 16957 2
115 . 1 1 15 15 GLY HA2 H 1 3.950 0.05 . 2 . . . . 19 G HA2 . 16957 2
116 . 1 1 15 15 GLY HA3 H 1 3.794 0.05 . 2 . . . . 19 G HA3 . 16957 2
117 . 1 1 15 15 GLY CA C 13 46.579 0.2 . 1 . . . . 19 G CA . 16957 2
118 . 1 1 15 15 GLY N N 15 110.549 0.1 . 1 . . . . 19 G N . 16957 2
119 . 1 1 16 16 ASP H H 1 7.848 0.05 . 1 . . . . 20 D H . 16957 2
120 . 1 1 16 16 ASP HA H 1 4.493 0.05 . 1 . . . . 20 D HA . 16957 2
121 . 1 1 16 16 ASP HB2 H 1 2.780 0.05 . 2 . . . . 20 D HB . 16957 2
122 . 1 1 16 16 ASP HB3 H 1 2.780 0.05 . 2 . . . . 20 D HB . 16957 2
123 . 1 1 16 16 ASP CA C 13 55.777 0.2 . 1 . . . . 20 D CA . 16957 2
124 . 1 1 16 16 ASP CB C 13 40.974 0.2 . 1 . . . . 20 D CB . 16957 2
125 . 1 1 16 16 ASP N N 15 119.494 0.1 . 1 . . . . 20 D N . 16957 2
126 . 1 1 17 17 VAL H H 1 7.561 0.05 . 1 . . . . 21 V H . 16957 2
127 . 1 1 17 17 VAL HA H 1 3.922 0.05 . 1 . . . . 21 V HA . 16957 2
128 . 1 1 17 17 VAL HB H 1 2.144 0.05 . 1 . . . . 21 V HB . 16957 2
129 . 1 1 17 17 VAL HG11 H 1 0.900 0.05 . 1 . . . . 21 V HG1 . 16957 2
130 . 1 1 17 17 VAL HG12 H 1 0.900 0.05 . 1 . . . . 21 V HG1 . 16957 2
131 . 1 1 17 17 VAL HG13 H 1 0.900 0.05 . 1 . . . . 21 V HG1 . 16957 2
132 . 1 1 17 17 VAL HG21 H 1 0.951 0.05 . 1 . . . . 21 V HG2 . 16957 2
133 . 1 1 17 17 VAL HG22 H 1 0.951 0.05 . 1 . . . . 21 V HG2 . 16957 2
134 . 1 1 17 17 VAL HG23 H 1 0.951 0.05 . 1 . . . . 21 V HG2 . 16957 2
135 . 1 1 17 17 VAL CA C 13 64.313 0.2 . 1 . . . . 21 V CA . 16957 2
136 . 1 1 17 17 VAL CB C 13 32.282 0.2 . 1 . . . . 21 V CB . 16957 2
137 . 1 1 17 17 VAL CG1 C 13 21.369 0.2 . 1 . . . . 21 V CG1 . 16957 2
138 . 1 1 17 17 VAL CG2 C 13 21.608 0.2 . 1 . . . . 21 V CG2 . 16957 2
139 . 1 1 17 17 VAL N N 15 117.535 0.1 . 1 . . . . 21 V N . 16957 2
140 . 1 1 18 18 MET H H 1 7.830 0.05 . 1 . . . . 22 M H . 16957 2
141 . 1 1 18 18 MET HA H 1 4.369 0.05 . 1 . . . . 22 M HA . 16957 2
142 . 1 1 18 18 MET HB2 H 1 2.292 0.05 . 2 . . . . 22 M HB2 . 16957 2
143 . 1 1 18 18 MET HB3 H 1 2.121 0.05 . 2 . . . . 22 M HB3 . 16957 2
144 . 1 1 18 18 MET HE1 H 1 1.856 0.05 . 1 . . . . 22 M HE . 16957 2
145 . 1 1 18 18 MET HE2 H 1 1.856 0.05 . 1 . . . . 22 M HE . 16957 2
146 . 1 1 18 18 MET HE3 H 1 1.856 0.05 . 1 . . . . 22 M HE . 16957 2
147 . 1 1 18 18 MET HG2 H 1 1.658 0.05 . 2 . . . . 22 M HG2 . 16957 2
148 . 1 1 18 18 MET HG3 H 1 1.277 0.05 . 2 . . . . 22 M HG3 . 16957 2
149 . 1 1 18 18 MET CA C 13 55.197 0.2 . 1 . . . . 22 M CA . 16957 2
150 . 1 1 18 18 MET CE C 13 15.268 0.2 . 1 . . . . 22 M CE . 16957 2
151 . 1 1 18 18 MET N N 15 115.526 0.1 . 1 . . . . 22 M N . 16957 2
152 . 1 1 19 19 GLU H H 1 7.718 0.05 . 1 . . . . 23 E H . 16957 2
153 . 1 1 19 19 GLU HA H 1 4.393 0.05 . 1 . . . . 23 E HA . 16957 2
154 . 1 1 19 19 GLU HB2 H 1 2.206 0.05 . 2 . . . . 23 E HB2 . 16957 2
155 . 1 1 19 19 GLU HB3 H 1 1.887 0.05 . 2 . . . . 23 E HB3 . 16957 2
156 . 1 1 19 19 GLU HG2 H 1 2.321 0.05 . 2 . . . . 23 E HG2 . 16957 2
157 . 1 1 19 19 GLU HG3 H 1 2.278 0.05 . 2 . . . . 23 E HG3 . 16957 2
158 . 1 1 19 19 GLU CA C 13 55.234 0.2 . 1 . . . . 23 E CA . 16957 2
159 . 1 1 19 19 GLU CB C 13 29.214 0.2 . 1 . . . . 23 E CB . 16957 2
160 . 1 1 19 19 GLU CG C 13 36.436 0.2 . 1 . . . . 23 E CG . 16957 2
161 . 1 1 19 19 GLU N N 15 115.647 0.1 . 1 . . . . 23 E N . 16957 2
162 . 1 1 20 20 HIS H H 1 7.847 0.05 . 1 . . . . 24 H H . 16957 2
163 . 1 1 20 20 HIS HA H 1 4.647 0.05 . 1 . . . . 24 H HA . 16957 2
164 . 1 1 20 20 HIS HB2 H 1 3.275 0.05 . 2 . . . . 24 H HB2 . 16957 2
165 . 1 1 20 20 HIS HB3 H 1 3.118 0.05 . 2 . . . . 24 H HB3 . 16957 2
166 . 1 1 20 20 HIS HD2 H 1 7.049 0.05 . 1 . . . . 24 H HD2 . 16957 2
167 . 1 1 20 20 HIS HE1 H 1 7.739 0.05 . 1 . . . . 24 H HE1 . 16957 2
168 . 1 1 20 20 HIS CB C 13 31.654 0.2 . 1 . . . . 24 H CB . 16957 2
169 . 1 1 20 20 HIS CD2 C 13 119.095 0.2 . 1 . . . . 24 H CD2 . 16957 2
170 . 1 1 20 20 HIS CE1 C 13 138.652 0.2 . 1 . . . . 24 H CE1 . 16957 2
171 . 1 1 20 20 HIS N N 15 122.866 0.1 . 1 . . . . 24 H N . 16957 2
172 . 1 1 21 21 PRO HA H 1 4.384 0.05 . 1 . . . . 25 P HA . 16957 2
173 . 1 1 21 21 PRO HB2 H 1 2.295 0.05 . 2 . . . . 25 P HB2 . 16957 2
174 . 1 1 21 21 PRO HB3 H 1 1.875 0.05 . 2 . . . . 25 P HB3 . 16957 2
175 . 1 1 21 21 PRO CA C 13 65.097 0.2 . 1 . . . . 25 P CA . 16957 2
176 . 1 1 21 21 PRO CB C 13 32.074 0.2 . 1 . . . . 25 P CB . 16957 2
177 . 1 1 22 22 LEU H H 1 8.147 0.05 . 1 . . . . 26 L H . 16957 2
178 . 1 1 22 22 LEU HA H 1 4.260 0.05 . 1 . . . . 26 L HA . 16957 2
179 . 1 1 22 22 LEU HB2 H 1 1.932 0.05 . 2 . . . . 26 L HB2 . 16957 2
180 . 1 1 22 22 LEU HB3 H 1 1.611 0.05 . 2 . . . . 26 L HB3 . 16957 2
181 . 1 1 22 22 LEU HD11 H 1 0.987 0.05 . 1 . . . . 26 L HD1 . 16957 2
182 . 1 1 22 22 LEU HD12 H 1 0.987 0.05 . 1 . . . . 26 L HD1 . 16957 2
183 . 1 1 22 22 LEU HD13 H 1 0.987 0.05 . 1 . . . . 26 L HD1 . 16957 2
184 . 1 1 22 22 LEU HD21 H 1 0.917 0.05 . 1 . . . . 26 L HD2 . 16957 2
185 . 1 1 22 22 LEU HD22 H 1 0.917 0.05 . 1 . . . . 26 L HD2 . 16957 2
186 . 1 1 22 22 LEU HD23 H 1 0.917 0.05 . 1 . . . . 26 L HD2 . 16957 2
187 . 1 1 22 22 LEU HG H 1 1.840 0.05 . 1 . . . . 26 L HG . 16957 2
188 . 1 1 22 22 LEU CA C 13 57.444 0.2 . 1 . . . . 26 L CA . 16957 2
189 . 1 1 22 22 LEU CD1 C 13 25.173 0.2 . 1 . . . . 26 L CD1 . 16957 2
190 . 1 1 22 22 LEU CD2 C 13 23.703 0.2 . 1 . . . . 26 L CD2 . 16957 2
191 . 1 1 22 22 LEU CG C 13 27.366 0.2 . 1 . . . . 26 L CG . 16957 2
192 . 1 1 23 23 VAL H H 1 7.697 0.05 . 1 . . . . 27 V H . 16957 2
193 . 1 1 23 23 VAL HA H 1 3.629 0.05 . 1 . . . . 27 V HA . 16957 2
194 . 1 1 23 23 VAL HB H 1 2.414 0.05 . 1 . . . . 27 V HB . 16957 2
195 . 1 1 23 23 VAL HG11 H 1 0.960 0.05 . 1 . . . . 27 V HG1 . 16957 2
196 . 1 1 23 23 VAL HG12 H 1 0.960 0.05 . 1 . . . . 27 V HG1 . 16957 2
197 . 1 1 23 23 VAL HG13 H 1 0.960 0.05 . 1 . . . . 27 V HG1 . 16957 2
198 . 1 1 23 23 VAL HG21 H 1 0.999 0.05 . 1 . . . . 27 V HG2 . 16957 2
199 . 1 1 23 23 VAL HG22 H 1 0.999 0.05 . 1 . . . . 27 V HG2 . 16957 2
200 . 1 1 23 23 VAL HG23 H 1 0.999 0.05 . 1 . . . . 27 V HG2 . 16957 2
201 . 1 1 23 23 VAL CA C 13 66.401 0.2 . 1 . . . . 27 V CA . 16957 2
202 . 1 1 23 23 VAL CB C 13 31.218 0.2 . 1 . . . . 27 V CB . 16957 2
203 . 1 1 23 23 VAL CG1 C 13 21.280 0.2 . 1 . . . . 27 V CG1 . 16957 2
204 . 1 1 23 23 VAL CG2 C 13 23.519 0.2 . 1 . . . . 27 V CG2 . 16957 2
205 . 1 1 23 23 VAL N N 15 120.135 0.1 . 1 . . . . 27 V N . 16957 2
206 . 1 1 24 24 GLU H H 1 8.273 0.05 . 1 . . . . 28 E H . 16957 2
207 . 1 1 24 24 GLU HA H 1 4.054 0.05 . 1 . . . . 28 E HA . 16957 2
208 . 1 1 24 24 GLU HB2 H 1 2.085 0.05 . 2 . . . . 28 E HB . 16957 2
209 . 1 1 24 24 GLU HB3 H 1 2.085 0.05 . 2 . . . . 28 E HB . 16957 2
210 . 1 1 24 24 GLU HG2 H 1 2.368 0.05 . 2 . . . . 28 E HG2 . 16957 2
211 . 1 1 24 24 GLU HG3 H 1 2.323 0.05 . 2 . . . . 28 E HG3 . 16957 2
212 . 1 1 24 24 GLU CA C 13 59.665 0.2 . 1 . . . . 28 E CA . 16957 2
213 . 1 1 24 24 GLU CB C 13 28.789 0.2 . 1 . . . . 28 E CB . 16957 2
214 . 1 1 24 24 GLU CG C 13 35.746 0.2 . 1 . . . . 28 E CG . 16957 2
215 . 1 1 24 24 GLU N N 15 119.079 0.1 . 1 . . . . 28 E N . 16957 2
216 . 1 1 25 25 LEU H H 1 8.174 0.05 . 1 . . . . 29 L H . 16957 2
217 . 1 1 25 25 LEU HA H 1 4.095 0.05 . 1 . . . . 29 L HA . 16957 2
218 . 1 1 25 25 LEU HB2 H 1 1.771 0.05 . 2 . . . . 29 L HB . 16957 2
219 . 1 1 25 25 LEU HB3 H 1 1.771 0.05 . 2 . . . . 29 L HB . 16957 2
220 . 1 1 25 25 LEU HD11 H 1 0.895 0.05 . 2 . . . . 29 L HD1 . 16957 2
221 . 1 1 25 25 LEU HD12 H 1 0.895 0.05 . 2 . . . . 29 L HD1 . 16957 2
222 . 1 1 25 25 LEU HD13 H 1 0.895 0.05 . 2 . . . . 29 L HD1 . 16957 2
223 . 1 1 25 25 LEU HD21 H 1 1.024 0.05 . 2 . . . . 29 L HD2 . 16957 2
224 . 1 1 25 25 LEU HD22 H 1 1.024 0.05 . 2 . . . . 29 L HD2 . 16957 2
225 . 1 1 25 25 LEU HD23 H 1 1.024 0.05 . 2 . . . . 29 L HD2 . 16957 2
226 . 1 1 25 25 LEU HG H 1 1.640 0.05 . 1 . . . . 29 L HG . 16957 2
227 . 1 1 25 25 LEU CD1 C 13 24.402 0.2 . 2 . . . . 29 L CD1 . 16957 2
228 . 1 1 25 25 LEU N N 15 119.949 0.1 . 1 . . . . 29 L N . 16957 2
229 . 1 1 26 26 GLY H H 1 8.343 0.05 . 1 . . . . 30 G H . 16957 2
230 . 1 1 26 26 GLY HA2 H 1 3.758 0.05 . 2 . . . . 30 G HA . 16957 2
231 . 1 1 26 26 GLY HA3 H 1 3.758 0.05 . 2 . . . . 30 G HA . 16957 2
232 . 1 1 26 26 GLY CA C 13 47.747 0.2 . 1 . . . . 30 G CA . 16957 2
233 . 1 1 26 26 GLY N N 15 108.456 0.1 . 1 . . . . 30 G N . 16957 2
234 . 1 1 27 27 VAL H H 1 8.833 0.05 . 1 . . . . 31 V H . 16957 2
235 . 1 1 27 27 VAL HA H 1 3.530 0.05 . 1 . . . . 31 V HA . 16957 2
236 . 1 1 27 27 VAL HB H 1 2.192 0.05 . 1 . . . . 31 V HB . 16957 2
237 . 1 1 27 27 VAL HG11 H 1 0.903 0.05 . 1 . . . . 31 V HG1 . 16957 2
238 . 1 1 27 27 VAL HG12 H 1 0.903 0.05 . 1 . . . . 31 V HG1 . 16957 2
239 . 1 1 27 27 VAL HG13 H 1 0.903 0.05 . 1 . . . . 31 V HG1 . 16957 2
240 . 1 1 27 27 VAL HG21 H 1 1.016 0.05 . 1 . . . . 31 V HG2 . 16957 2
241 . 1 1 27 27 VAL HG22 H 1 1.016 0.05 . 1 . . . . 31 V HG2 . 16957 2
242 . 1 1 27 27 VAL HG23 H 1 1.016 0.05 . 1 . . . . 31 V HG2 . 16957 2
243 . 1 1 27 27 VAL CB C 13 31.292 0.2 . 1 . . . . 31 V CB . 16957 2
244 . 1 1 27 27 VAL CG1 C 13 20.965 0.2 . 1 . . . . 31 V CG1 . 16957 2
245 . 1 1 27 27 VAL CG2 C 13 22.875 0.2 . 1 . . . . 31 V CG2 . 16957 2
246 . 1 1 27 27 VAL N N 15 122.275 0.1 . 1 . . . . 31 V N . 16957 2
247 . 1 1 28 28 SER H H 1 8.063 0.05 . 1 . . . . 32 S H . 16957 2
248 . 1 1 28 28 SER HA H 1 3.828 0.05 . 1 . . . . 32 S HA . 16957 2
249 . 1 1 28 28 SER HB2 H 1 4.162 0.05 . 2 . . . . 32 S HB . 16957 2
250 . 1 1 28 28 SER HB3 H 1 4.162 0.05 . 2 . . . . 32 S HB . 16957 2
251 . 1 1 28 28 SER CA C 13 62.716 0.2 . 1 . . . . 32 S CA . 16957 2
252 . 1 1 28 28 SER CB C 13 62.690 0.2 . 1 . . . . 32 S CB . 16957 2
253 . 1 1 28 28 SER N N 15 116.961 0.1 . 1 . . . . 32 S N . 16957 2
254 . 1 1 29 29 TYR H H 1 8.466 0.05 . 1 . . . . 33 Y H . 16957 2
255 . 1 1 29 29 TYR HA H 1 4.334 0.05 . 1 . . . . 33 Y HA . 16957 2
256 . 1 1 29 29 TYR HB2 H 1 3.214 0.05 . 2 . . . . 33 Y HB2 . 16957 2
257 . 1 1 29 29 TYR HB3 H 1 3.075 0.05 . 2 . . . . 33 Y HB3 . 16957 2
258 . 1 1 29 29 TYR HD1 H 1 6.930 0.05 . 3 . . . . 33 Y HD1 . 16957 2
259 . 1 1 29 29 TYR HE1 H 1 6.632 0.05 . 3 . . . . 33 Y HE1 . 16957 2
260 . 1 1 29 29 TYR CA C 13 60.162 0.2 . 1 . . . . 33 Y CA . 16957 2
261 . 1 1 29 29 TYR CB C 13 39.861 0.2 . 1 . . . . 33 Y CB . 16957 2
262 . 1 1 29 29 TYR CD1 C 13 131.970 0.2 . 3 . . . . 33 Y CD1 . 16957 2
263 . 1 1 29 29 TYR CE1 C 13 118.393 0.2 . 3 . . . . 33 Y CE1 . 16957 2
264 . 1 1 29 29 TYR N N 15 121.970 0.1 . 1 . . . . 33 Y N . 16957 2
265 . 1 1 30 30 ALA H H 1 8.706 0.05 . 1 . . . . 34 A H . 16957 2
266 . 1 1 30 30 ALA HA H 1 4.070 0.05 . 1 . . . . 34 A HA . 16957 2
267 . 1 1 30 30 ALA HB1 H 1 1.579 0.05 . 1 . . . . 34 A HB . 16957 2
268 . 1 1 30 30 ALA HB2 H 1 1.579 0.05 . 1 . . . . 34 A HB . 16957 2
269 . 1 1 30 30 ALA HB3 H 1 1.579 0.05 . 1 . . . . 34 A HB . 16957 2
270 . 1 1 30 30 ALA N N 15 122.022 0.1 . 1 . . . . 34 A N . 16957 2
271 . 1 1 31 31 ALA H H 1 8.894 0.05 . 1 . . . . 35 A H . 16957 2
272 . 1 1 31 31 ALA HA H 1 4.104 0.05 . 1 . . . . 35 A HA . 16957 2
273 . 1 1 31 31 ALA HB1 H 1 1.623 0.05 . 1 . . . . 35 A HB . 16957 2
274 . 1 1 31 31 ALA HB2 H 1 1.623 0.05 . 1 . . . . 35 A HB . 16957 2
275 . 1 1 31 31 ALA HB3 H 1 1.623 0.05 . 1 . . . . 35 A HB . 16957 2
276 . 1 1 31 31 ALA CA C 13 54.873 0.2 . 1 . . . . 35 A CA . 16957 2
277 . 1 1 31 31 ALA CB C 13 17.212 0.2 . 1 . . . . 35 A CB . 16957 2
278 . 1 1 31 31 ALA N N 15 120.169 0.1 . 1 . . . . 35 A N . 16957 2
279 . 1 1 32 32 LEU H H 1 8.254 0.05 . 1 . . . . 36 L H . 16957 2
280 . 1 1 32 32 LEU HA H 1 3.858 0.05 . 1 . . . . 36 L HA . 16957 2
281 . 1 1 32 32 LEU HB2 H 1 1.932 0.05 . 2 . . . . 36 L HB2 . 16957 2
282 . 1 1 32 32 LEU HB3 H 1 1.788 0.05 . 2 . . . . 36 L HB3 . 16957 2
283 . 1 1 32 32 LEU HD11 H 1 0.735 0.05 . 1 . . . . 36 L HD1 . 16957 2
284 . 1 1 32 32 LEU HD12 H 1 0.735 0.05 . 1 . . . . 36 L HD1 . 16957 2
285 . 1 1 32 32 LEU HD13 H 1 0.735 0.05 . 1 . . . . 36 L HD1 . 16957 2
286 . 1 1 32 32 LEU HD21 H 1 0.686 0.05 . 1 . . . . 36 L HD2 . 16957 2
287 . 1 1 32 32 LEU HD22 H 1 0.686 0.05 . 1 . . . . 36 L HD2 . 16957 2
288 . 1 1 32 32 LEU HD23 H 1 0.686 0.05 . 1 . . . . 36 L HD2 . 16957 2
289 . 1 1 32 32 LEU HG H 1 1.525 0.05 . 1 . . . . 36 L HG . 16957 2
290 . 1 1 32 32 LEU CD1 C 13 24.929 0.2 . 1 . . . . 36 L CD1 . 16957 2
291 . 1 1 32 32 LEU CD2 C 13 22.965 0.2 . 1 . . . . 36 L CD2 . 16957 2
292 . 1 1 32 32 LEU CG C 13 26.719 0.2 . 1 . . . . 36 L CG . 16957 2
293 . 1 1 32 32 LEU N N 15 120.956 0.1 . 1 . . . . 36 L N . 16957 2
294 . 1 1 33 33 LEU H H 1 8.736 0.05 . 1 . . . . 37 L H . 16957 2
295 . 1 1 33 33 LEU HA H 1 3.855 0.05 . 1 . . . . 37 L HA . 16957 2
296 . 1 1 33 33 LEU HB2 H 1 1.818 0.05 . 2 . . . . 37 L HB2 . 16957 2
297 . 1 1 33 33 LEU HB3 H 1 1.445 0.05 . 2 . . . . 37 L HB3 . 16957 2
298 . 1 1 33 33 LEU HD11 H 1 0.691 0.05 . 1 . . . . 37 L HD1 . 16957 2
299 . 1 1 33 33 LEU HD12 H 1 0.691 0.05 . 1 . . . . 37 L HD1 . 16957 2
300 . 1 1 33 33 LEU HD13 H 1 0.691 0.05 . 1 . . . . 37 L HD1 . 16957 2
301 . 1 1 33 33 LEU HD21 H 1 0.874 0.05 . 1 . . . . 37 L HD2 . 16957 2
302 . 1 1 33 33 LEU HD22 H 1 0.874 0.05 . 1 . . . . 37 L HD2 . 16957 2
303 . 1 1 33 33 LEU HD23 H 1 0.874 0.05 . 1 . . . . 37 L HD2 . 16957 2
304 . 1 1 33 33 LEU HG H 1 1.714 0.05 . 1 . . . . 37 L HG . 16957 2
305 . 1 1 33 33 LEU CB C 13 41.000 0.2 . 1 . . . . 37 L CB . 16957 2
306 . 1 1 33 33 LEU CD1 C 13 25.234 0.2 . 1 . . . . 37 L CD1 . 16957 2
307 . 1 1 33 33 LEU CD2 C 13 24.579 0.2 . 1 . . . . 37 L CD2 . 16957 2
308 . 1 1 33 33 LEU N N 15 118.915 0.1 . 1 . . . . 37 L N . 16957 2
309 . 1 1 34 34 SER HA H 1 4.087 0.05 . 1 . . . . 38 S HA . 16957 2
310 . 1 1 34 34 SER HB2 H 1 3.832 0.05 . 2 . . . . 38 S HB . 16957 2
311 . 1 1 34 34 SER HB3 H 1 3.832 0.05 . 2 . . . . 38 S HB . 16957 2
312 . 1 1 34 34 SER CA C 13 62.325 0.2 . 1 . . . . 38 S CA . 16957 2
313 . 1 1 34 34 SER CB C 13 62.306 0.2 . 1 . . . . 38 S CB . 16957 2
314 . 1 1 35 35 VAL H H 1 7.757 0.05 . 1 . . . . 39 V H . 16957 2
315 . 1 1 35 35 VAL HA H 1 3.666 0.05 . 1 . . . . 39 V HA . 16957 2
316 . 1 1 35 35 VAL HB H 1 2.347 0.05 . 1 . . . . 39 V HB . 16957 2
317 . 1 1 35 35 VAL HG11 H 1 0.785 0.05 . 1 . . . . 39 V HG1 . 16957 2
318 . 1 1 35 35 VAL HG12 H 1 0.785 0.05 . 1 . . . . 39 V HG1 . 16957 2
319 . 1 1 35 35 VAL HG13 H 1 0.785 0.05 . 1 . . . . 39 V HG1 . 16957 2
320 . 1 1 35 35 VAL HG21 H 1 0.991 0.05 . 1 . . . . 39 V HG2 . 16957 2
321 . 1 1 35 35 VAL HG22 H 1 0.991 0.05 . 1 . . . . 39 V HG2 . 16957 2
322 . 1 1 35 35 VAL HG23 H 1 0.991 0.05 . 1 . . . . 39 V HG2 . 16957 2
323 . 1 1 35 35 VAL CA C 13 65.865 0.2 . 1 . . . . 39 V CA . 16957 2
324 . 1 1 35 35 VAL CB C 13 31.471 0.2 . 1 . . . . 39 V CB . 16957 2
325 . 1 1 35 35 VAL CG1 C 13 21.118 0.2 . 1 . . . . 39 V CG1 . 16957 2
326 . 1 1 35 35 VAL CG2 C 13 22.984 0.2 . 1 . . . . 39 V CG2 . 16957 2
327 . 1 1 35 35 VAL N N 15 120.200 0.1 . 1 . . . . 39 V N . 16957 2
328 . 1 1 36 36 ILE H H 1 7.552 0.05 . 1 . . . . 40 I H . 16957 2
329 . 1 1 36 36 ILE HA H 1 3.431 0.05 . 1 . . . . 40 I HA . 16957 2
330 . 1 1 36 36 ILE HB H 1 2.111 0.05 . 1 . . . . 40 I HB . 16957 2
331 . 1 1 36 36 ILE HD11 H 1 0.685 0.05 . 1 . . . . 40 I HD1 . 16957 2
332 . 1 1 36 36 ILE HD12 H 1 0.685 0.05 . 1 . . . . 40 I HD1 . 16957 2
333 . 1 1 36 36 ILE HD13 H 1 0.685 0.05 . 1 . . . . 40 I HD1 . 16957 2
334 . 1 1 36 36 ILE HG12 H 1 1.632 0.05 . 2 . . . . 40 I HG12 . 16957 2
335 . 1 1 36 36 ILE HG13 H 1 1.083 0.05 . 2 . . . . 40 I HG13 . 16957 2
336 . 1 1 36 36 ILE HG21 H 1 0.786 0.05 . 1 . . . . 40 I HG2 . 16957 2
337 . 1 1 36 36 ILE HG22 H 1 0.786 0.05 . 1 . . . . 40 I HG2 . 16957 2
338 . 1 1 36 36 ILE HG23 H 1 0.786 0.05 . 1 . . . . 40 I HG2 . 16957 2
339 . 1 1 36 36 ILE CA C 13 65.055 0.2 . 1 . . . . 40 I CA . 16957 2
340 . 1 1 36 36 ILE CB C 13 36.823 0.2 . 1 . . . . 40 I CB . 16957 2
341 . 1 1 36 36 ILE CD1 C 13 11.955 0.2 . 1 . . . . 40 I CD1 . 16957 2
342 . 1 1 36 36 ILE CG1 C 13 28.874 0.2 . 1 . . . . 40 I CG1 . 16957 2
343 . 1 1 36 36 ILE CG2 C 13 17.148 0.2 . 1 . . . . 40 I CG2 . 16957 2
344 . 1 1 36 36 ILE N N 15 119.331 0.1 . 1 . . . . 40 I N . 16957 2
345 . 1 1 37 37 VAL H H 1 8.412 0.05 . 1 . . . . 41 V H . 16957 2
346 . 1 1 37 37 VAL HA H 1 3.474 0.05 . 1 . . . . 41 V HA . 16957 2
347 . 1 1 37 37 VAL HB H 1 2.176 0.05 . 1 . . . . 41 V HB . 16957 2
348 . 1 1 37 37 VAL HG11 H 1 1.072 0.05 . 1 . . . . 41 V HG1 . 16957 2
349 . 1 1 37 37 VAL HG12 H 1 1.072 0.05 . 1 . . . . 41 V HG1 . 16957 2
350 . 1 1 37 37 VAL HG13 H 1 1.072 0.05 . 1 . . . . 41 V HG1 . 16957 2
351 . 1 1 37 37 VAL HG21 H 1 0.965 0.05 . 1 . . . . 41 V HG2 . 16957 2
352 . 1 1 37 37 VAL HG22 H 1 0.965 0.05 . 1 . . . . 41 V HG2 . 16957 2
353 . 1 1 37 37 VAL HG23 H 1 0.965 0.05 . 1 . . . . 41 V HG2 . 16957 2
354 . 1 1 37 37 VAL CA C 13 67.289 0.2 . 1 . . . . 41 V CA . 16957 2
355 . 1 1 37 37 VAL CB C 13 31.253 0.2 . 1 . . . . 41 V CB . 16957 2
356 . 1 1 37 37 VAL CG1 C 13 22.125 0.2 . 1 . . . . 41 V CG1 . 16957 2
357 . 1 1 37 37 VAL CG2 C 13 20.666 0.2 . 1 . . . . 41 V CG2 . 16957 2
358 . 1 1 37 37 VAL N N 15 116.095 0.1 . 1 . . . . 41 V N . 16957 2
359 . 1 1 38 38 VAL H H 1 7.543 0.05 . 1 . . . . 42 V H . 16957 2
360 . 1 1 38 38 VAL HA H 1 4.192 0.05 . 1 . . . . 42 V HA . 16957 2
361 . 1 1 38 38 VAL HB H 1 2.248 0.05 . 1 . . . . 42 V HB . 16957 2
362 . 1 1 38 38 VAL HG11 H 1 1.167 0.05 . 1 . . . . 42 V HG1 . 16957 2
363 . 1 1 38 38 VAL HG12 H 1 1.167 0.05 . 1 . . . . 42 V HG1 . 16957 2
364 . 1 1 38 38 VAL HG13 H 1 1.167 0.05 . 1 . . . . 42 V HG1 . 16957 2
365 . 1 1 38 38 VAL HG21 H 1 1.124 0.05 . 1 . . . . 42 V HG2 . 16957 2
366 . 1 1 38 38 VAL HG22 H 1 1.124 0.05 . 1 . . . . 42 V HG2 . 16957 2
367 . 1 1 38 38 VAL HG23 H 1 1.124 0.05 . 1 . . . . 42 V HG2 . 16957 2
368 . 1 1 38 38 VAL CA C 13 64.572 0.2 . 1 . . . . 42 V CA . 16957 2
369 . 1 1 38 38 VAL CB C 13 31.360 0.2 . 1 . . . . 42 V CB . 16957 2
370 . 1 1 38 38 VAL CG1 C 13 22.384 0.2 . 1 . . . . 42 V CG1 . 16957 2
371 . 1 1 38 38 VAL CG2 C 13 22.849 0.2 . 1 . . . . 42 V CG2 . 16957 2
372 . 1 1 38 38 VAL N N 15 123.550 0.1 . 1 . . . . 42 V N . 16957 2
373 . 1 1 39 39 VAL H H 1 7.868 0.05 . 1 . . . . 43 V H . 16957 2
374 . 1 1 39 39 VAL HA H 1 3.674 0.05 . 1 . . . . 43 V HA . 16957 2
375 . 1 1 39 39 VAL HB H 1 2.270 0.05 . 1 . . . . 43 V HB . 16957 2
376 . 1 1 39 39 VAL HG11 H 1 0.911 0.05 . 1 . . . . 43 V HG1 . 16957 2
377 . 1 1 39 39 VAL HG12 H 1 0.911 0.05 . 1 . . . . 43 V HG1 . 16957 2
378 . 1 1 39 39 VAL HG13 H 1 0.911 0.05 . 1 . . . . 43 V HG1 . 16957 2
379 . 1 1 39 39 VAL HG21 H 1 0.995 0.05 . 1 . . . . 43 V HG2 . 16957 2
380 . 1 1 39 39 VAL HG22 H 1 0.995 0.05 . 1 . . . . 43 V HG2 . 16957 2
381 . 1 1 39 39 VAL HG23 H 1 0.995 0.05 . 1 . . . . 43 V HG2 . 16957 2
382 . 1 1 39 39 VAL CB C 13 31.251 0.2 . 1 . . . . 43 V CB . 16957 2
383 . 1 1 39 39 VAL CG1 C 13 21.750 0.2 . 1 . . . . 43 V CG1 . 16957 2
384 . 1 1 39 39 VAL CG2 C 13 22.964 0.2 . 1 . . . . 43 V CG2 . 16957 2
385 . 1 1 39 39 VAL N N 15 120.868 0.1 . 1 . . . . 43 V N . 16957 2
386 . 1 1 40 40 VAL H H 1 8.592 0.05 . 1 . . . . 44 V H . 16957 2
387 . 1 1 40 40 VAL HA H 1 3.478 0.05 . 1 . . . . 44 V HA . 16957 2
388 . 1 1 40 40 VAL HB H 1 2.254 0.05 . 1 . . . . 44 V HB . 16957 2
389 . 1 1 40 40 VAL HG11 H 1 0.877 0.05 . 1 . . . . 44 V HG1 . 16957 2
390 . 1 1 40 40 VAL HG12 H 1 0.877 0.05 . 1 . . . . 44 V HG1 . 16957 2
391 . 1 1 40 40 VAL HG13 H 1 0.877 0.05 . 1 . . . . 44 V HG1 . 16957 2
392 . 1 1 40 40 VAL HG21 H 1 0.973 0.05 . 1 . . . . 44 V HG2 . 16957 2
393 . 1 1 40 40 VAL HG22 H 1 0.973 0.05 . 1 . . . . 44 V HG2 . 16957 2
394 . 1 1 40 40 VAL HG23 H 1 0.973 0.05 . 1 . . . . 44 V HG2 . 16957 2
395 . 1 1 40 40 VAL CA C 13 67.219 0.2 . 1 . . . . 44 V CA . 16957 2
396 . 1 1 40 40 VAL CB C 13 31.171 0.2 . 1 . . . . 44 V CB . 16957 2
397 . 1 1 40 40 VAL CG1 C 13 22.173 0.2 . 1 . . . . 44 V CG1 . 16957 2
398 . 1 1 40 40 VAL CG2 C 13 23.217 0.2 . 1 . . . . 44 V CG2 . 16957 2
399 . 1 1 40 40 VAL N N 15 121.611 0.1 . 1 . . . . 44 V N . 16957 2
400 . 1 1 41 41 GLU H H 1 8.191 0.05 . 1 . . . . 45 E H . 16957 2
401 . 1 1 41 41 GLU HA H 1 3.662 0.05 . 1 . . . . 45 E HA . 16957 2
402 . 1 1 41 41 GLU HB2 H 1 2.020 0.05 . 2 . . . . 45 E HB . 16957 2
403 . 1 1 41 41 GLU HB3 H 1 2.020 0.05 . 2 . . . . 45 E HB . 16957 2
404 . 1 1 41 41 GLU HG2 H 1 2.415 0.05 . 2 . . . . 45 E HG2 . 16957 2
405 . 1 1 41 41 GLU HG3 H 1 2.151 0.05 . 2 . . . . 45 E HG3 . 16957 2
406 . 1 1 41 41 GLU CA C 13 59.332 0.2 . 1 . . . . 45 E CA . 16957 2
407 . 1 1 41 41 GLU N N 15 119.878 0.1 . 1 . . . . 45 E N . 16957 2
408 . 1 1 42 42 TYR H H 1 7.828 0.05 . 1 . . . . 46 Y H . 16957 2
409 . 1 1 42 42 TYR HA H 1 4.340 0.05 . 1 . . . . 46 Y HA . 16957 2
410 . 1 1 42 42 TYR HB2 H 1 3.127 0.05 . 2 . . . . 46 Y HB . 16957 2
411 . 1 1 42 42 TYR HB3 H 1 3.127 0.05 . 2 . . . . 46 Y HB . 16957 2
412 . 1 1 42 42 TYR HD1 H 1 7.090 0.05 . 3 . . . . 46 Y HD1 . 16957 2
413 . 1 1 42 42 TYR HE1 H 1 6.729 0.05 . 3 . . . . 46 Y HE1 . 16957 2
414 . 1 1 42 42 TYR CA C 13 60.183 0.2 . 1 . . . . 46 Y CA . 16957 2
415 . 1 1 42 42 TYR CB C 13 39.764 0.2 . 1 . . . . 46 Y CB . 16957 2
416 . 1 1 42 42 TYR CD1 C 13 133.160 0.2 . 3 . . . . 46 Y CD1 . 16957 2
417 . 1 1 42 42 TYR CE1 C 13 118.567 0.2 . 3 . . . . 46 Y CE1 . 16957 2
418 . 1 1 42 42 TYR N N 15 114.467 0.1 . 1 . . . . 46 Y N . 16957 2
419 . 1 1 43 43 THR H H 1 7.894 0.05 . 1 . . . . 47 T H . 16957 2
420 . 1 1 43 43 THR HA H 1 4.310 0.05 . 1 . . . . 47 T HA . 16957 2
421 . 1 1 43 43 THR HB H 1 4.162 0.05 . 1 . . . . 47 T HB . 16957 2
422 . 1 1 43 43 THR HG21 H 1 1.317 0.05 . 1 . . . . 47 T HG2 . 16957 2
423 . 1 1 43 43 THR HG22 H 1 1.317 0.05 . 1 . . . . 47 T HG2 . 16957 2
424 . 1 1 43 43 THR HG23 H 1 1.317 0.05 . 1 . . . . 47 T HG2 . 16957 2
425 . 1 1 43 43 THR CA C 13 63.214 0.2 . 1 . . . . 47 T CA . 16957 2
426 . 1 1 43 43 THR CB C 13 70.910 0.2 . 1 . . . . 47 T CB . 16957 2
427 . 1 1 43 43 THR CG2 C 13 22.349 0.2 . 1 . . . . 47 T CG2 . 16957 2
428 . 1 1 43 43 THR N N 15 106.644 0.1 . 1 . . . . 47 T N . 16957 2
429 . 1 1 44 44 MET H H 1 8.024 0.05 . 1 . . . . 48 M H . 16957 2
430 . 1 1 44 44 MET HA H 1 4.599 0.05 . 1 . . . . 48 M HA . 16957 2
431 . 1 1 44 44 MET HB2 H 1 2.613 0.05 . 2 . . . . 48 M HB2 . 16957 2
432 . 1 1 44 44 MET HB3 H 1 2.524 0.05 . 2 . . . . 48 M HB3 . 16957 2
433 . 1 1 44 44 MET HE1 H 1 1.998 0.05 . 1 . . . . 48 M HE . 16957 2
434 . 1 1 44 44 MET HE2 H 1 1.998 0.05 . 1 . . . . 48 M HE . 16957 2
435 . 1 1 44 44 MET HE3 H 1 1.998 0.05 . 1 . . . . 48 M HE . 16957 2
436 . 1 1 44 44 MET HG2 H 1 3.174 0.05 . 2 . . . . 48 M HG . 16957 2
437 . 1 1 44 44 MET HG3 H 1 3.174 0.05 . 2 . . . . 48 M HG . 16957 2
438 . 1 1 44 44 MET CA C 13 55.486 0.2 . 1 . . . . 48 M CA . 16957 2
439 . 1 1 44 44 MET CB C 13 33.100 0.2 . 1 . . . . 48 M CB . 16957 2
440 . 1 1 44 44 MET CE C 13 17.193 0.2 . 1 . . . . 48 M CE . 16957 2
441 . 1 1 44 44 MET N N 15 119.317 0.1 . 1 . . . . 48 M N . 16957 2
442 . 1 1 45 45 GLN H H 1 8.321 0.05 . 1 . . . . 49 Q H . 16957 2
443 . 1 1 45 45 GLN HA H 1 4.282 0.05 . 1 . . . . 49 Q HA . 16957 2
444 . 1 1 45 45 GLN HB2 H 1 2.052 0.05 . 2 . . . . 49 Q HB2 . 16957 2
445 . 1 1 45 45 GLN HB3 H 1 1.948 0.05 . 2 . . . . 49 Q HB3 . 16957 2
446 . 1 1 45 45 GLN HE21 H 1 7.434 0.05 . 2 . . . . 49 Q HE21 . 16957 2
447 . 1 1 45 45 GLN HE22 H 1 6.718 0.05 . 2 . . . . 49 Q HE22 . 16957 2
448 . 1 1 45 45 GLN HG2 H 1 2.245 0.05 . 2 . . . . 49 Q HG . 16957 2
449 . 1 1 45 45 GLN HG3 H 1 2.245 0.05 . 2 . . . . 49 Q HG . 16957 2
450 . 1 1 45 45 GLN CA C 13 55.425 0.2 . 1 . . . . 49 Q CA . 16957 2
451 . 1 1 45 45 GLN CB C 13 27.683 0.2 . 1 . . . . 49 Q CB . 16957 2
452 . 1 1 45 45 GLN CG C 13 33.864 0.2 . 1 . . . . 49 Q CG . 16957 2
453 . 1 1 45 45 GLN N N 15 120.159 0.1 . 1 . . . . 49 Q N . 16957 2
454 . 1 1 45 45 GLN NE2 N 15 111.753 0.1 . 1 . . . . 49 Q NE2 . 16957 2
455 . 1 1 46 46 LEU H H 1 8.159 0.05 . 1 . . . . 50 L H . 16957 2
456 . 1 1 46 46 LEU HA H 1 4.428 0.05 . 1 . . . . 50 L HA . 16957 2
457 . 1 1 46 46 LEU HB2 H 1 1.663 0.05 . 2 . . . . 50 L HB2 . 16957 2
458 . 1 1 46 46 LEU HB3 H 1 1.302 0.05 . 2 . . . . 50 L HB3 . 16957 2
459 . 1 1 46 46 LEU HD11 H 1 0.712 0.05 . 1 . . . . 50 L HD1 . 16957 2
460 . 1 1 46 46 LEU HD12 H 1 0.712 0.05 . 1 . . . . 50 L HD1 . 16957 2
461 . 1 1 46 46 LEU HD13 H 1 0.712 0.05 . 1 . . . . 50 L HD1 . 16957 2
462 . 1 1 46 46 LEU HD21 H 1 0.746 0.05 . 1 . . . . 50 L HD2 . 16957 2
463 . 1 1 46 46 LEU HD22 H 1 0.746 0.05 . 1 . . . . 50 L HD2 . 16957 2
464 . 1 1 46 46 LEU HD23 H 1 0.746 0.05 . 1 . . . . 50 L HD2 . 16957 2
465 . 1 1 46 46 LEU HG H 1 1.524 0.05 . 1 . . . . 50 L HG . 16957 2
466 . 1 1 46 46 LEU CA C 13 54.094 0.2 . 1 . . . . 50 L CA . 16957 2
467 . 1 1 46 46 LEU CB C 13 44.052 0.2 . 1 . . . . 50 L CB . 16957 2
468 . 1 1 46 46 LEU CD1 C 13 26.226 0.2 . 1 . . . . 50 L CD1 . 16957 2
469 . 1 1 46 46 LEU CD2 C 13 23.319 0.2 . 1 . . . . 50 L CD2 . 16957 2
470 . 1 1 46 46 LEU N N 15 122.762 0.1 . 1 . . . . 50 L N . 16957 2
471 . 1 1 47 47 SER H H 1 8.223 0.05 . 1 . . . . 51 S H . 16957 2
472 . 1 1 47 47 SER HA H 1 4.535 0.05 . 1 . . . . 51 S HA . 16957 2
473 . 1 1 47 47 SER HB2 H 1 4.084 0.05 . 2 . . . . 51 S HB2 . 16957 2
474 . 1 1 47 47 SER HB3 H 1 3.915 0.05 . 2 . . . . 51 S HB3 . 16957 2
475 . 1 1 47 47 SER CA C 13 56.932 0.2 . 1 . . . . 51 S CA . 16957 2
476 . 1 1 47 47 SER CB C 13 64.939 0.2 . 1 . . . . 51 S CB . 16957 2
477 . 1 1 47 47 SER N N 15 114.557 0.1 . 1 . . . . 51 S N . 16957 2
478 . 1 1 48 48 GLY H H 1 8.931 0.05 . 1 . . . . 52 G H . 16957 2
479 . 1 1 48 48 GLY HA2 H 1 4.023 0.05 . 2 . . . . 52 G HA2 . 16957 2
480 . 1 1 48 48 GLY HA3 H 1 3.791 0.05 . 2 . . . . 52 G HA3 . 16957 2
481 . 1 1 48 48 GLY CA C 13 47.431 0.2 . 1 . . . . 52 G CA . 16957 2
482 . 1 1 48 48 GLY N N 15 109.287 0.1 . 1 . . . . 52 G N . 16957 2
483 . 1 1 49 49 GLU H H 1 8.952 0.05 . 1 . . . . 53 E H . 16957 2
484 . 1 1 49 49 GLU HA H 1 3.972 0.05 . 1 . . . . 53 E HA . 16957 2
485 . 1 1 49 49 GLU HB2 H 1 1.949 0.05 . 2 . . . . 53 E HB2 . 16957 2
486 . 1 1 49 49 GLU HB3 H 1 1.836 0.05 . 2 . . . . 53 E HB3 . 16957 2
487 . 1 1 49 49 GLU HG2 H 1 2.058 0.05 . 2 . . . . 53 E HG . 16957 2
488 . 1 1 49 49 GLU HG3 H 1 2.058 0.05 . 2 . . . . 53 E HG . 16957 2
489 . 1 1 49 49 GLU CA C 13 59.220 0.2 . 1 . . . . 53 E CA . 16957 2
490 . 1 1 49 49 GLU CB C 13 29.220 0.2 . 1 . . . . 53 E CB . 16957 2
491 . 1 1 49 49 GLU CG C 13 36.044 0.2 . 1 . . . . 53 E CG . 16957 2
492 . 1 1 49 49 GLU N N 15 121.710 0.1 . 1 . . . . 53 E N . 16957 2
493 . 1 1 50 50 TYR H H 1 7.786 0.05 . 1 . . . . 54 Y H . 16957 2
494 . 1 1 50 50 TYR HA H 1 4.225 0.05 . 1 . . . . 54 Y HA . 16957 2
495 . 1 1 50 50 TYR HB2 H 1 3.159 0.05 . 2 . . . . 54 Y HB2 . 16957 2
496 . 1 1 50 50 TYR HB3 H 1 2.952 0.05 . 2 . . . . 54 Y HB3 . 16957 2
497 . 1 1 50 50 TYR HD1 H 1 7.072 0.05 . 3 . . . . 54 Y HD1 . 16957 2
498 . 1 1 50 50 TYR HE1 H 1 6.816 0.05 . 3 . . . . 54 Y HE1 . 16957 2
499 . 1 1 50 50 TYR CA C 13 60.512 0.2 . 1 . . . . 54 Y CA . 16957 2
500 . 1 1 50 50 TYR CB C 13 37.866 0.2 . 1 . . . . 54 Y CB . 16957 2
501 . 1 1 50 50 TYR CD1 C 13 132.417 0.2 . 3 . . . . 54 Y CD1 . 16957 2
502 . 1 1 50 50 TYR CE1 C 13 119.009 0.2 . 3 . . . . 54 Y CE1 . 16957 2
503 . 1 1 50 50 TYR N N 15 118.283 0.1 . 1 . . . . 54 Y N . 16957 2
504 . 1 1 51 51 LEU H H 1 7.838 0.05 . 1 . . . . 55 L H . 16957 2
505 . 1 1 51 51 LEU HA H 1 3.794 0.05 . 1 . . . . 55 L HA . 16957 2
506 . 1 1 51 51 LEU HB2 H 1 1.644 0.05 . 2 . . . . 55 L HB2 . 16957 2
507 . 1 1 51 51 LEU HB3 H 1 1.436 0.05 . 2 . . . . 55 L HB3 . 16957 2
508 . 1 1 51 51 LEU HD11 H 1 0.768 0.05 . 1 . . . . 55 L HD1 . 16957 2
509 . 1 1 51 51 LEU HD12 H 1 0.768 0.05 . 1 . . . . 55 L HD1 . 16957 2
510 . 1 1 51 51 LEU HD13 H 1 0.768 0.05 . 1 . . . . 55 L HD1 . 16957 2
511 . 1 1 51 51 LEU HD21 H 1 0.898 0.05 . 1 . . . . 55 L HD2 . 16957 2
512 . 1 1 51 51 LEU HD22 H 1 0.898 0.05 . 1 . . . . 55 L HD2 . 16957 2
513 . 1 1 51 51 LEU HD23 H 1 0.898 0.05 . 1 . . . . 55 L HD2 . 16957 2
514 . 1 1 51 51 LEU HG H 1 1.390 0.05 . 1 . . . . 55 L HG . 16957 2
515 . 1 1 51 51 LEU CA C 13 57.444 0.2 . 1 . . . . 55 L CA . 16957 2
516 . 1 1 51 51 LEU CD1 C 13 23.790 0.2 . 1 . . . . 55 L CD1 . 16957 2
517 . 1 1 51 51 LEU CD2 C 13 24.384 0.2 . 1 . . . . 55 L CD2 . 16957 2
518 . 1 1 51 51 LEU CG C 13 26.598 0.2 . 1 . . . . 55 L CG . 16957 2
519 . 1 1 51 51 LEU N N 15 121.296 0.1 . 1 . . . . 55 L N . 16957 2
520 . 1 1 52 52 VAL H H 1 7.817 0.05 . 1 . . . . 56 V H . 16957 2
521 . 1 1 52 52 VAL HA H 1 3.600 0.05 . 1 . . . . 56 V HA . 16957 2
522 . 1 1 52 52 VAL HB H 1 2.184 0.05 . 1 . . . . 56 V HB . 16957 2
523 . 1 1 52 52 VAL HG11 H 1 0.968 0.05 . 1 . . . . 56 V HG1 . 16957 2
524 . 1 1 52 52 VAL HG12 H 1 0.968 0.05 . 1 . . . . 56 V HG1 . 16957 2
525 . 1 1 52 52 VAL HG13 H 1 0.968 0.05 . 1 . . . . 56 V HG1 . 16957 2
526 . 1 1 52 52 VAL HG21 H 1 1.100 0.05 . 1 . . . . 56 V HG2 . 16957 2
527 . 1 1 52 52 VAL HG22 H 1 1.100 0.05 . 1 . . . . 56 V HG2 . 16957 2
528 . 1 1 52 52 VAL HG23 H 1 1.100 0.05 . 1 . . . . 56 V HG2 . 16957 2
529 . 1 1 52 52 VAL CA C 13 67.453 0.2 . 1 . . . . 56 V CA . 16957 2
530 . 1 1 52 52 VAL CB C 13 31.229 0.2 . 1 . . . . 56 V CB . 16957 2
531 . 1 1 52 52 VAL CG1 C 13 21.475 0.2 . 1 . . . . 56 V CG1 . 16957 2
532 . 1 1 52 52 VAL CG2 C 13 23.097 0.2 . 1 . . . . 56 V CG2 . 16957 2
533 . 1 1 52 52 VAL N N 15 116.403 0.1 . 1 . . . . 56 V N . 16957 2
534 . 1 1 53 53 ARG H H 1 7.519 0.05 . 1 . . . . 57 R H . 16957 2
535 . 1 1 53 53 ARG HA H 1 3.868 0.05 . 1 . . . . 57 R HA . 16957 2
536 . 1 1 53 53 ARG HB2 H 1 2.002 0.05 . 2 . . . . 57 R HB2 . 16957 2
537 . 1 1 53 53 ARG HB3 H 1 1.559 0.05 . 2 . . . . 57 R HB3 . 16957 2
538 . 1 1 53 53 ARG HD2 H 1 3.115 0.05 . 2 . . . . 57 R HD2 . 16957 2
539 . 1 1 53 53 ARG HD3 H 1 2.957 0.05 . 2 . . . . 57 R HD3 . 16957 2
540 . 1 1 53 53 ARG HG2 H 1 1.769 0.05 . 2 . . . . 57 R HG . 16957 2
541 . 1 1 53 53 ARG HG3 H 1 1.769 0.05 . 2 . . . . 57 R HG . 16957 2
542 . 1 1 53 53 ARG CA C 13 60.152 0.2 . 1 . . . . 57 R CA . 16957 2
543 . 1 1 53 53 ARG CB C 13 28.718 0.2 . 1 . . . . 57 R CB . 16957 2
544 . 1 1 53 53 ARG CD C 13 43.681 0.2 . 1 . . . . 57 R CD . 16957 2
545 . 1 1 53 53 ARG N N 15 116.562 0.1 . 1 . . . . 57 R N . 16957 2
546 . 1 1 54 54 LEU H H 1 8.022 0.05 . 1 . . . . 58 L H . 16957 2
547 . 1 1 54 54 LEU HA H 1 3.798 0.05 . 1 . . . . 58 L HA . 16957 2
548 . 1 1 54 54 LEU HB2 H 1 1.871 0.05 . 2 . . . . 58 L HB . 16957 2
549 . 1 1 54 54 LEU HB3 H 1 1.871 0.05 . 2 . . . . 58 L HB . 16957 2
550 . 1 1 54 54 LEU HD11 H 1 0.848 0.05 . 1 . . . . 58 L HD1 . 16957 2
551 . 1 1 54 54 LEU HD12 H 1 0.848 0.05 . 1 . . . . 58 L HD1 . 16957 2
552 . 1 1 54 54 LEU HD13 H 1 0.848 0.05 . 1 . . . . 58 L HD1 . 16957 2
553 . 1 1 54 54 LEU HD21 H 1 0.625 0.05 . 1 . . . . 58 L HD2 . 16957 2
554 . 1 1 54 54 LEU HD22 H 1 0.625 0.05 . 1 . . . . 58 L HD2 . 16957 2
555 . 1 1 54 54 LEU HD23 H 1 0.625 0.05 . 1 . . . . 58 L HD2 . 16957 2
556 . 1 1 54 54 LEU HG H 1 1.429 0.05 . 1 . . . . 58 L HG . 16957 2
557 . 1 1 54 54 LEU CA C 13 58.727 0.2 . 1 . . . . 58 L CA . 16957 2
558 . 1 1 54 54 LEU CD1 C 13 24.863 0.2 . 1 . . . . 58 L CD1 . 16957 2
559 . 1 1 54 54 LEU CD2 C 13 24.801 0.2 . 1 . . . . 58 L CD2 . 16957 2
560 . 1 1 54 54 LEU CG C 13 26.613 0.2 . 1 . . . . 58 L CG . 16957 2
561 . 1 1 54 54 LEU N N 15 120.281 0.1 . 1 . . . . 58 L N . 16957 2
562 . 1 1 55 55 TYR H H 1 8.376 0.05 . 1 . . . . 59 Y H . 16957 2
563 . 1 1 55 55 TYR HA H 1 4.650 0.05 . 1 . . . . 59 Y HA . 16957 2
564 . 1 1 55 55 TYR HB2 H 1 3.133 0.05 . 2 . . . . 59 Y HB2 . 16957 2
565 . 1 1 55 55 TYR HB3 H 1 2.979 0.05 . 2 . . . . 59 Y HB3 . 16957 2
566 . 1 1 55 55 TYR HD1 H 1 6.796 0.05 . 3 . . . . 59 Y HD1 . 16957 2
567 . 1 1 55 55 TYR HE1 H 1 6.525 0.05 . 3 . . . . 59 Y HE1 . 16957 2
568 . 1 1 55 55 TYR CA C 13 58.500 0.2 . 1 . . . . 59 Y CA . 16957 2
569 . 1 1 55 55 TYR CD1 C 13 131.451 0.2 . 3 . . . . 59 Y CD1 . 16957 2
570 . 1 1 55 55 TYR CE1 C 13 118.085 0.2 . 3 . . . . 59 Y CE1 . 16957 2
571 . 1 1 55 55 TYR N N 15 116.514 0.1 . 1 . . . . 59 Y N . 16957 2
572 . 1 1 56 56 LEU H H 1 8.478 0.05 . 1 . . . . 60 L H . 16957 2
573 . 1 1 56 56 LEU HA H 1 4.283 0.05 . 1 . . . . 60 L HA . 16957 2
574 . 1 1 56 56 LEU HB2 H 1 1.980 0.05 . 2 . . . . 60 L HB2 . 16957 2
575 . 1 1 56 56 LEU HB3 H 1 1.627 0.05 . 2 . . . . 60 L HB3 . 16957 2
576 . 1 1 56 56 LEU HD11 H 1 0.869 0.05 . 1 . . . . 60 L HD1 . 16957 2
577 . 1 1 56 56 LEU HD12 H 1 0.869 0.05 . 1 . . . . 60 L HD1 . 16957 2
578 . 1 1 56 56 LEU HD13 H 1 0.869 0.05 . 1 . . . . 60 L HD1 . 16957 2
579 . 1 1 56 56 LEU HD21 H 1 0.857 0.05 . 1 . . . . 60 L HD2 . 16957 2
580 . 1 1 56 56 LEU HD22 H 1 0.857 0.05 . 1 . . . . 60 L HD2 . 16957 2
581 . 1 1 56 56 LEU HD23 H 1 0.857 0.05 . 1 . . . . 60 L HD2 . 16957 2
582 . 1 1 56 56 LEU HG H 1 1.899 0.05 . 1 . . . . 60 L HG . 16957 2
583 . 1 1 56 56 LEU CA C 13 57.825 0.2 . 1 . . . . 60 L CA . 16957 2
584 . 1 1 56 56 LEU CB C 13 41.499 0.2 . 1 . . . . 60 L CB . 16957 2
585 . 1 1 56 56 LEU CD1 C 13 25.047 0.2 . 1 . . . . 60 L CD1 . 16957 2
586 . 1 1 56 56 LEU CD2 C 13 23.564 0.2 . 1 . . . . 60 L CD2 . 16957 2
587 . 1 1 56 56 LEU CG C 13 26.922 0.2 . 1 . . . . 60 L CG . 16957 2
588 . 1 1 56 56 LEU N N 15 123.375 0.1 . 1 . . . . 60 L N . 16957 2
589 . 1 1 57 57 VAL H H 1 8.227 0.05 . 1 . . . . 61 V H . 16957 2
590 . 1 1 57 57 VAL HA H 1 3.511 0.05 . 1 . . . . 61 V HA . 16957 2
591 . 1 1 57 57 VAL HB H 1 2.318 0.05 . 1 . . . . 61 V HB . 16957 2
592 . 1 1 57 57 VAL HG11 H 1 0.865 0.05 . 1 . . . . 61 V HG1 . 16957 2
593 . 1 1 57 57 VAL HG12 H 1 0.865 0.05 . 1 . . . . 61 V HG1 . 16957 2
594 . 1 1 57 57 VAL HG13 H 1 0.865 0.05 . 1 . . . . 61 V HG1 . 16957 2
595 . 1 1 57 57 VAL HG21 H 1 1.031 0.05 . 1 . . . . 61 V HG2 . 16957 2
596 . 1 1 57 57 VAL HG22 H 1 1.031 0.05 . 1 . . . . 61 V HG2 . 16957 2
597 . 1 1 57 57 VAL HG23 H 1 1.031 0.05 . 1 . . . . 61 V HG2 . 16957 2
598 . 1 1 57 57 VAL CA C 13 67.226 0.2 . 1 . . . . 61 V CA . 16957 2
599 . 1 1 57 57 VAL CB C 13 31.022 0.2 . 1 . . . . 61 V CB . 16957 2
600 . 1 1 57 57 VAL CG1 C 13 20.992 0.2 . 1 . . . . 61 V CG1 . 16957 2
601 . 1 1 57 57 VAL CG2 C 13 23.551 0.2 . 1 . . . . 61 V CG2 . 16957 2
602 . 1 1 57 57 VAL N N 15 119.547 0.1 . 1 . . . . 61 V N . 16957 2
603 . 1 1 58 58 ASP H H 1 8.509 0.05 . 1 . . . . 62 D H . 16957 2
604 . 1 1 58 58 ASP HA H 1 4.269 0.05 . 1 . . . . 62 D HA . 16957 2
605 . 1 1 58 58 ASP HB2 H 1 2.876 0.05 . 2 . . . . 62 D HB2 . 16957 2
606 . 1 1 58 58 ASP HB3 H 1 2.746 0.05 . 2 . . . . 62 D HB3 . 16957 2
607 . 1 1 58 58 ASP CA C 13 58.114 0.2 . 1 . . . . 62 D CA . 16957 2
608 . 1 1 58 58 ASP CB C 13 41.052 0.2 . 1 . . . . 62 D CB . 16957 2
609 . 1 1 58 58 ASP N N 15 117.960 0.1 . 1 . . . . 62 D N . 16957 2
610 . 1 1 59 59 LEU H H 1 7.771 0.05 . 1 . . . . 63 L H . 16957 2
611 . 1 1 59 59 LEU HA H 1 4.039 0.05 . 1 . . . . 63 L HA . 16957 2
612 . 1 1 59 59 LEU HB2 H 1 2.195 0.05 . 2 . . . . 63 L HB2 . 16957 2
613 . 1 1 59 59 LEU HB3 H 1 1.736 0.05 . 2 . . . . 63 L HB3 . 16957 2
614 . 1 1 59 59 LEU HD11 H 1 0.862 0.05 . 1 . . . . 63 L HD1 . 16957 2
615 . 1 1 59 59 LEU HD12 H 1 0.862 0.05 . 1 . . . . 63 L HD1 . 16957 2
616 . 1 1 59 59 LEU HD13 H 1 0.862 0.05 . 1 . . . . 63 L HD1 . 16957 2
617 . 1 1 59 59 LEU HD21 H 1 0.842 0.05 . 1 . . . . 63 L HD2 . 16957 2
618 . 1 1 59 59 LEU HD22 H 1 0.842 0.05 . 1 . . . . 63 L HD2 . 16957 2
619 . 1 1 59 59 LEU HD23 H 1 0.842 0.05 . 1 . . . . 63 L HD2 . 16957 2
620 . 1 1 59 59 LEU HG H 1 1.646 0.05 . 1 . . . . 63 L HG . 16957 2
621 . 1 1 59 59 LEU CB C 13 41.755 0.2 . 1 . . . . 63 L CB . 16957 2
622 . 1 1 59 59 LEU CD1 C 13 24.053 0.2 . 1 . . . . 63 L CD1 . 16957 2
623 . 1 1 59 59 LEU CD2 C 13 25.741 0.2 . 1 . . . . 63 L CD2 . 16957 2
624 . 1 1 59 59 LEU N N 15 117.155 0.1 . 1 . . . . 63 L N . 16957 2
625 . 1 1 60 60 ILE H H 1 7.733 0.05 . 1 . . . . 64 I H . 16957 2
626 . 1 1 60 60 ILE HA H 1 3.551 0.05 . 1 . . . . 64 I HA . 16957 2
627 . 1 1 60 60 ILE HB H 1 2.088 0.05 . 1 . . . . 64 I HB . 16957 2
628 . 1 1 60 60 ILE HD11 H 1 0.771 0.05 . 1 . . . . 64 I HD1 . 16957 2
629 . 1 1 60 60 ILE HD12 H 1 0.771 0.05 . 1 . . . . 64 I HD1 . 16957 2
630 . 1 1 60 60 ILE HD13 H 1 0.771 0.05 . 1 . . . . 64 I HD1 . 16957 2
631 . 1 1 60 60 ILE HG12 H 1 1.758 0.05 . 2 . . . . 64 I HG12 . 16957 2
632 . 1 1 60 60 ILE HG13 H 1 1.183 0.05 . 2 . . . . 64 I HG13 . 16957 2
633 . 1 1 60 60 ILE HG21 H 1 0.833 0.05 . 1 . . . . 64 I HG2 . 16957 2
634 . 1 1 60 60 ILE HG22 H 1 0.833 0.05 . 1 . . . . 64 I HG2 . 16957 2
635 . 1 1 60 60 ILE HG23 H 1 0.833 0.05 . 1 . . . . 64 I HG2 . 16957 2
636 . 1 1 60 60 ILE CA C 13 64.980 0.2 . 1 . . . . 64 I CA . 16957 2
637 . 1 1 60 60 ILE CB C 13 36.949 0.2 . 1 . . . . 64 I CB . 16957 2
638 . 1 1 60 60 ILE CD1 C 13 12.530 0.2 . 1 . . . . 64 I CD1 . 16957 2
639 . 1 1 60 60 ILE CG1 C 13 28.974 0.2 . 1 . . . . 64 I CG1 . 16957 2
640 . 1 1 60 60 ILE CG2 C 13 17.053 0.2 . 1 . . . . 64 I CG2 . 16957 2
641 . 1 1 60 60 ILE N N 15 117.203 0.1 . 1 . . . . 64 I N . 16957 2
642 . 1 1 61 61 LEU H H 1 8.066 0.05 . 1 . . . . 65 L H . 16957 2
643 . 1 1 61 61 LEU HA H 1 3.974 0.05 . 1 . . . . 65 L HA . 16957 2
644 . 1 1 61 61 LEU HB2 H 1 2.238 0.05 . 2 . . . . 65 L HB2 . 16957 2
645 . 1 1 61 61 LEU HB3 H 1 2.153 0.05 . 2 . . . . 65 L HB3 . 16957 2
646 . 1 1 61 61 LEU HD11 H 1 0.883 0.05 . 1 . . . . 65 L HD1 . 16957 2
647 . 1 1 61 61 LEU HD12 H 1 0.883 0.05 . 1 . . . . 65 L HD1 . 16957 2
648 . 1 1 61 61 LEU HD13 H 1 0.883 0.05 . 1 . . . . 65 L HD1 . 16957 2
649 . 1 1 61 61 LEU HD21 H 1 0.842 0.05 . 1 . . . . 65 L HD2 . 16957 2
650 . 1 1 61 61 LEU HD22 H 1 0.842 0.05 . 1 . . . . 65 L HD2 . 16957 2
651 . 1 1 61 61 LEU HD23 H 1 0.842 0.05 . 1 . . . . 65 L HD2 . 16957 2
652 . 1 1 61 61 LEU HG H 1 1.263 0.05 . 1 . . . . 65 L HG . 16957 2
653 . 1 1 61 61 LEU CD1 C 13 24.913 0.2 . 1 . . . . 65 L CD1 . 16957 2
654 . 1 1 61 61 LEU CD2 C 13 22.049 0.2 . 1 . . . . 65 L CD2 . 16957 2
655 . 1 1 61 61 LEU N N 15 117.168 0.1 . 1 . . . . 65 L N . 16957 2
656 . 1 1 62 62 VAL H H 1 8.762 0.05 . 1 . . . . 66 V H . 16957 2
657 . 1 1 62 62 VAL HA H 1 3.701 0.05 . 1 . . . . 66 V HA . 16957 2
658 . 1 1 62 62 VAL HB H 1 2.285 0.05 . 1 . . . . 66 V HB . 16957 2
659 . 1 1 62 62 VAL HG11 H 1 0.822 0.05 . 1 . . . . 66 V HG1 . 16957 2
660 . 1 1 62 62 VAL HG12 H 1 0.822 0.05 . 1 . . . . 66 V HG1 . 16957 2
661 . 1 1 62 62 VAL HG13 H 1 0.822 0.05 . 1 . . . . 66 V HG1 . 16957 2
662 . 1 1 62 62 VAL HG21 H 1 0.987 0.05 . 1 . . . . 66 V HG2 . 16957 2
663 . 1 1 62 62 VAL HG22 H 1 0.987 0.05 . 1 . . . . 66 V HG2 . 16957 2
664 . 1 1 62 62 VAL HG23 H 1 0.987 0.05 . 1 . . . . 66 V HG2 . 16957 2
665 . 1 1 62 62 VAL CA C 13 66.270 0.2 . 1 . . . . 66 V CA . 16957 2
666 . 1 1 62 62 VAL CB C 13 31.249 0.2 . 1 . . . . 66 V CB . 16957 2
667 . 1 1 62 62 VAL CG1 C 13 22.601 0.2 . 1 . . . . 66 V CG1 . 16957 2
668 . 1 1 62 62 VAL CG2 C 13 23.616 0.2 . 1 . . . . 66 V CG2 . 16957 2
669 . 1 1 62 62 VAL N N 15 116.626 0.1 . 1 . . . . 66 V N . 16957 2
670 . 1 1 63 63 ILE H H 1 8.096 0.05 . 1 . . . . 67 I H . 16957 2
671 . 1 1 63 63 ILE HA H 1 3.537 0.05 . 1 . . . . 67 I HA . 16957 2
672 . 1 1 63 63 ILE HB H 1 2.082 0.05 . 1 . . . . 67 I HB . 16957 2
673 . 1 1 63 63 ILE HD11 H 1 0.671 0.05 . 1 . . . . 67 I HD1 . 16957 2
674 . 1 1 63 63 ILE HD12 H 1 0.671 0.05 . 1 . . . . 67 I HD1 . 16957 2
675 . 1 1 63 63 ILE HD13 H 1 0.671 0.05 . 1 . . . . 67 I HD1 . 16957 2
676 . 1 1 63 63 ILE HG12 H 1 2.070 0.05 . 2 . . . . 67 I HG12 . 16957 2
677 . 1 1 63 63 ILE HG13 H 1 1.799 0.05 . 2 . . . . 67 I HG13 . 16957 2
678 . 1 1 63 63 ILE HG21 H 1 0.842 0.05 . 1 . . . . 67 I HG2 . 16957 2
679 . 1 1 63 63 ILE HG22 H 1 0.842 0.05 . 1 . . . . 67 I HG2 . 16957 2
680 . 1 1 63 63 ILE HG23 H 1 0.842 0.05 . 1 . . . . 67 I HG2 . 16957 2
681 . 1 1 63 63 ILE CB C 13 36.807 0.2 . 1 . . . . 67 I CB . 16957 2
682 . 1 1 63 63 ILE CD1 C 13 13.081 0.2 . 1 . . . . 67 I CD1 . 16957 2
683 . 1 1 63 63 ILE CG2 C 13 17.007 0.2 . 1 . . . . 67 I CG2 . 16957 2
684 . 1 1 63 63 ILE N N 15 121.594 0.1 . 1 . . . . 67 I N . 16957 2
685 . 1 1 64 64 ILE H H 1 7.565 0.05 . 1 . . . . 68 I H . 16957 2
686 . 1 1 64 64 ILE HA H 1 3.542 0.05 . 1 . . . . 68 I HA . 16957 2
687 . 1 1 64 64 ILE HB H 1 2.237 0.05 . 1 . . . . 68 I HB . 16957 2
688 . 1 1 64 64 ILE HD11 H 1 0.786 0.05 . 1 . . . . 68 I HD1 . 16957 2
689 . 1 1 64 64 ILE HD12 H 1 0.786 0.05 . 1 . . . . 68 I HD1 . 16957 2
690 . 1 1 64 64 ILE HD13 H 1 0.786 0.05 . 1 . . . . 68 I HD1 . 16957 2
691 . 1 1 64 64 ILE HG12 H 1 1.936 0.05 . 2 . . . . 68 I HG12 . 16957 2
692 . 1 1 64 64 ILE HG13 H 1 0.957 0.05 . 2 . . . . 68 I HG13 . 16957 2
693 . 1 1 64 64 ILE HG21 H 1 0.819 0.05 . 1 . . . . 68 I HG2 . 16957 2
694 . 1 1 64 64 ILE HG22 H 1 0.819 0.05 . 1 . . . . 68 I HG2 . 16957 2
695 . 1 1 64 64 ILE HG23 H 1 0.819 0.05 . 1 . . . . 68 I HG2 . 16957 2
696 . 1 1 64 64 ILE CA C 13 65.933 0.2 . 1 . . . . 68 I CA . 16957 2
697 . 1 1 64 64 ILE CB C 13 37.147 0.2 . 1 . . . . 68 I CB . 16957 2
698 . 1 1 64 64 ILE CD1 C 13 13.243 0.2 . 1 . . . . 68 I CD1 . 16957 2
699 . 1 1 64 64 ILE CG1 C 13 29.042 0.2 . 1 . . . . 68 I CG1 . 16957 2
700 . 1 1 64 64 ILE CG2 C 13 17.106 0.2 . 1 . . . . 68 I CG2 . 16957 2
701 . 1 1 64 64 ILE N N 15 119.433 0.1 . 1 . . . . 68 I N . 16957 2
702 . 1 1 65 65 LEU H H 1 8.123 0.05 . 1 . . . . 69 L H . 16957 2
703 . 1 1 65 65 LEU HA H 1 4.189 0.05 . 1 . . . . 69 L HA . 16957 2
704 . 1 1 65 65 LEU HB2 H 1 2.020 0.05 . 2 . . . . 69 L HB . 16957 2
705 . 1 1 65 65 LEU HB3 H 1 2.020 0.05 . 2 . . . . 69 L HB . 16957 2
706 . 1 1 65 65 LEU HD11 H 1 0.768 0.05 . 1 . . . . 69 L HD1 . 16957 2
707 . 1 1 65 65 LEU HD12 H 1 0.768 0.05 . 1 . . . . 69 L HD1 . 16957 2
708 . 1 1 65 65 LEU HD13 H 1 0.768 0.05 . 1 . . . . 69 L HD1 . 16957 2
709 . 1 1 65 65 LEU HD21 H 1 0.844 0.05 . 1 . . . . 69 L HD2 . 16957 2
710 . 1 1 65 65 LEU HD22 H 1 0.844 0.05 . 1 . . . . 69 L HD2 . 16957 2
711 . 1 1 65 65 LEU HD23 H 1 0.844 0.05 . 1 . . . . 69 L HD2 . 16957 2
712 . 1 1 65 65 LEU HG H 1 1.542 0.05 . 1 . . . . 69 L HG . 16957 2
713 . 1 1 65 65 LEU CA C 13 58.629 0.2 . 1 . . . . 69 L CA . 16957 2
714 . 1 1 65 65 LEU CD1 C 13 24.821 0.2 . 1 . . . . 69 L CD1 . 16957 2
715 . 1 1 65 65 LEU CD2 C 13 22.187 0.2 . 1 . . . . 69 L CD2 . 16957 2
716 . 1 1 65 65 LEU N N 15 118.166 0.1 . 1 . . . . 69 L N . 16957 2
717 . 1 1 66 66 TRP H H 1 9.686 0.05 . 1 . . . . 70 W H . 16957 2
718 . 1 1 66 66 TRP HA H 1 3.764 0.05 . 1 . . . . 70 W HA . 16957 2
719 . 1 1 66 66 TRP HB2 H 1 3.189 0.05 . 2 . . . . 70 W HB . 16957 2
720 . 1 1 66 66 TRP HB3 H 1 3.189 0.05 . 2 . . . . 70 W HB . 16957 2
721 . 1 1 66 66 TRP HD1 H 1 7.145 0.05 . 1 . . . . 70 W HD1 . 16957 2
722 . 1 1 66 66 TRP HE1 H 1 10.284 0.05 . 1 . . . . 70 W HE1 . 16957 2
723 . 1 1 66 66 TRP HE3 H 1 7.497 0.05 . 1 . . . . 70 W HE3 . 16957 2
724 . 1 1 66 66 TRP HH2 H 1 6.827 0.05 . 1 . . . . 70 W HH2 . 16957 2
725 . 1 1 66 66 TRP HZ2 H 1 7.032 0.05 . 1 . . . . 70 W HZ2 . 16957 2
726 . 1 1 66 66 TRP HZ3 H 1 6.844 0.05 . 1 . . . . 70 W HZ3 . 16957 2
727 . 1 1 66 66 TRP CD1 C 13 126.270 0.2 . 1 . . . . 70 W CD1 . 16957 2
728 . 1 1 66 66 TRP CE3 C 13 120.667 0.2 . 1 . . . . 70 W CE3 . 16957 2
729 . 1 1 66 66 TRP CH2 C 13 123.512 0.2 . 1 . . . . 70 W CH2 . 16957 2
730 . 1 1 66 66 TRP CZ2 C 13 114.223 0.2 . 1 . . . . 70 W CZ2 . 16957 2
731 . 1 1 66 66 TRP CZ3 C 13 121.518 0.2 . 1 . . . . 70 W CZ3 . 16957 2
732 . 1 1 66 66 TRP N N 15 123.968 0.1 . 1 . . . . 70 W N . 16957 2
733 . 1 1 66 66 TRP NE1 N 15 127.753 0.1 . 1 . . . . 70 W NE1 . 16957 2
734 . 1 1 67 67 ALA H H 1 8.360 0.05 . 1 . . . . 71 A H . 16957 2
735 . 1 1 67 67 ALA HA H 1 4.013 0.05 . 1 . . . . 71 A HA . 16957 2
736 . 1 1 67 67 ALA HB1 H 1 1.543 0.05 . 1 . . . . 71 A HB . 16957 2
737 . 1 1 67 67 ALA HB2 H 1 1.543 0.05 . 1 . . . . 71 A HB . 16957 2
738 . 1 1 67 67 ALA HB3 H 1 1.543 0.05 . 1 . . . . 71 A HB . 16957 2
739 . 1 1 67 67 ALA CA C 13 55.672 0.2 . 1 . . . . 71 A CA . 16957 2
740 . 1 1 67 67 ALA CB C 13 17.393 0.2 . 1 . . . . 71 A CB . 16957 2
741 . 1 1 67 67 ALA N N 15 121.656 0.1 . 1 . . . . 71 A N . 16957 2
742 . 1 1 68 68 ASP H H 1 7.801 0.05 . 1 . . . . 72 D H . 16957 2
743 . 1 1 68 68 ASP HA H 1 4.435 0.05 . 1 . . . . 72 D HA . 16957 2
744 . 1 1 68 68 ASP HB2 H 1 2.744 0.05 . 2 . . . . 72 D HB . 16957 2
745 . 1 1 68 68 ASP HB3 H 1 2.744 0.05 . 2 . . . . 72 D HB . 16957 2
746 . 1 1 68 68 ASP CA C 13 57.485 0.2 . 1 . . . . 72 D CA . 16957 2
747 . 1 1 68 68 ASP CB C 13 41.129 0.2 . 1 . . . . 72 D CB . 16957 2
748 . 1 1 68 68 ASP N N 15 116.132 0.1 . 1 . . . . 72 D N . 16957 2
749 . 1 1 69 69 TYR H H 1 8.316 0.05 . 1 . . . . 73 Y H . 16957 2
750 . 1 1 69 69 TYR HA H 1 4.037 0.05 . 1 . . . . 73 Y HA . 16957 2
751 . 1 1 69 69 TYR HB2 H 1 3.165 0.05 . 2 . . . . 73 Y HB2 . 16957 2
752 . 1 1 69 69 TYR HB3 H 1 2.981 0.05 . 2 . . . . 73 Y HB3 . 16957 2
753 . 1 1 69 69 TYR HD1 H 1 6.904 0.05 . 3 . . . . 73 Y HD1 . 16957 2
754 . 1 1 69 69 TYR HE1 H 1 6.517 0.05 . 3 . . . . 73 Y HE1 . 16957 2
755 . 1 1 69 69 TYR CA C 13 62.361 0.2 . 1 . . . . 73 Y CA . 16957 2
756 . 1 1 69 69 TYR CD1 C 13 132.855 0.2 . 3 . . . . 73 Y CD1 . 16957 2
757 . 1 1 69 69 TYR CE1 C 13 117.738 0.2 . 3 . . . . 73 Y CE1 . 16957 2
758 . 1 1 69 69 TYR N N 15 120.661 0.1 . 1 . . . . 73 Y N . 16957 2
759 . 1 1 70 70 ALA H H 1 9.183 0.05 . 1 . . . . 74 A H . 16957 2
760 . 1 1 70 70 ALA HA H 1 3.870 0.05 . 1 . . . . 74 A HA . 16957 2
761 . 1 1 70 70 ALA HB1 H 1 1.503 0.05 . 1 . . . . 74 A HB . 16957 2
762 . 1 1 70 70 ALA HB2 H 1 1.503 0.05 . 1 . . . . 74 A HB . 16957 2
763 . 1 1 70 70 ALA HB3 H 1 1.503 0.05 . 1 . . . . 74 A HB . 16957 2
764 . 1 1 70 70 ALA CA C 13 54.990 0.2 . 1 . . . . 74 A CA . 16957 2
765 . 1 1 70 70 ALA CB C 13 18.290 0.2 . 1 . . . . 74 A CB . 16957 2
766 . 1 1 70 70 ALA N N 15 118.700 0.1 . 1 . . . . 74 A N . 16957 2
767 . 1 1 71 71 TYR H H 1 8.403 0.05 . 1 . . . . 75 Y H . 16957 2
768 . 1 1 71 71 TYR HA H 1 4.123 0.05 . 1 . . . . 75 Y HA . 16957 2
769 . 1 1 71 71 TYR HB2 H 1 3.274 0.05 . 2 . . . . 75 Y HB2 . 16957 2
770 . 1 1 71 71 TYR HB3 H 1 3.156 0.05 . 2 . . . . 75 Y HB3 . 16957 2
771 . 1 1 71 71 TYR HD1 H 1 7.041 0.05 . 3 . . . . 75 Y HD1 . 16957 2
772 . 1 1 71 71 TYR HE1 H 1 6.747 0.05 . 3 . . . . 75 Y HE1 . 16957 2
773 . 1 1 71 71 TYR CA C 13 62.104 0.2 . 1 . . . . 75 Y CA . 16957 2
774 . 1 1 71 71 TYR CD1 C 13 133.515 0.2 . 3 . . . . 75 Y CD1 . 16957 2
775 . 1 1 71 71 TYR CE1 C 13 118.575 0.2 . 3 . . . . 75 Y CE1 . 16957 2
776 . 1 1 71 71 TYR N N 15 117.909 0.1 . 1 . . . . 75 Y N . 16957 2
777 . 1 1 72 72 ARG H H 1 8.204 0.05 . 1 . . . . 76 R H . 16957 2
778 . 1 1 72 72 ARG HA H 1 3.345 0.05 . 1 . . . . 76 R HA . 16957 2
779 . 1 1 72 72 ARG HB2 H 1 1.781 0.05 . 2 . . . . 76 R HB . 16957 2
780 . 1 1 72 72 ARG HB3 H 1 1.781 0.05 . 2 . . . . 76 R HB . 16957 2
781 . 1 1 72 72 ARG HD2 H 1 3.163 0.05 . 2 . . . . 76 R HD2 . 16957 2
782 . 1 1 72 72 ARG HD3 H 1 2.976 0.05 . 2 . . . . 76 R HD3 . 16957 2
783 . 1 1 72 72 ARG HG2 H 1 1.466 0.05 . 2 . . . . 76 R HG . 16957 2
784 . 1 1 72 72 ARG HG3 H 1 1.466 0.05 . 2 . . . . 76 R HG . 16957 2
785 . 1 1 72 72 ARG N N 15 119.279 0.1 . 1 . . . . 76 R N . 16957 2
786 . 1 1 73 73 ALA H H 1 8.168 0.05 . 1 . . . . 77 A H . 16957 2
787 . 1 1 73 73 ALA HA H 1 2.925 0.05 . 1 . . . . 77 A HA . 16957 2
788 . 1 1 73 73 ALA HB1 H 1 1.074 0.05 . 1 . . . . 77 A HB . 16957 2
789 . 1 1 73 73 ALA HB2 H 1 1.074 0.05 . 1 . . . . 77 A HB . 16957 2
790 . 1 1 73 73 ALA HB3 H 1 1.074 0.05 . 1 . . . . 77 A HB . 16957 2
791 . 1 1 73 73 ALA CA C 13 54.391 0.2 . 1 . . . . 77 A CA . 16957 2
792 . 1 1 73 73 ALA CB C 13 16.880 0.2 . 1 . . . . 77 A CB . 16957 2
793 . 1 1 73 73 ALA N N 15 121.818 0.1 . 1 . . . . 77 A N . 16957 2
794 . 1 1 74 74 TYR H H 1 8.453 0.05 . 1 . . . . 78 Y H . 16957 2
795 . 1 1 74 74 TYR HA H 1 3.919 0.05 . 1 . . . . 78 Y HA . 16957 2
796 . 1 1 74 74 TYR HB2 H 1 2.995 0.05 . 2 . . . . 78 Y HB2 . 16957 2
797 . 1 1 74 74 TYR HB3 H 1 2.943 0.05 . 2 . . . . 78 Y HB3 . 16957 2
798 . 1 1 74 74 TYR HD1 H 1 6.999 0.05 . 3 . . . . 78 Y HD1 . 16957 2
799 . 1 1 74 74 TYR HE1 H 1 6.885 0.05 . 3 . . . . 78 Y HE1 . 16957 2
800 . 1 1 74 74 TYR CA C 13 61.709 0.2 . 1 . . . . 78 Y CA . 16957 2
801 . 1 1 74 74 TYR CB C 13 38.009 0.2 . 1 . . . . 78 Y CB . 16957 2
802 . 1 1 74 74 TYR CD1 C 13 133.303 0.2 . 3 . . . . 78 Y CD1 . 16957 2
803 . 1 1 74 74 TYR CE1 C 13 119.586 0.2 . 3 . . . . 78 Y CE1 . 16957 2
804 . 1 1 74 74 TYR N N 15 119.929 0.1 . 1 . . . . 78 Y N . 16957 2
805 . 1 1 75 75 LYS H H 1 8.648 0.05 . 1 . . . . 79 K H . 16957 2
806 . 1 1 75 75 LYS HA H 1 3.607 0.05 . 1 . . . . 79 K HA . 16957 2
807 . 1 1 75 75 LYS HB2 H 1 1.381 0.05 . 2 . . . . 79 K HB2 . 16957 2
808 . 1 1 75 75 LYS HB3 H 1 1.333 0.05 . 2 . . . . 79 K HB3 . 16957 2
809 . 1 1 75 75 LYS HD2 H 1 1.444 0.05 . 2 . . . . 79 K HD2 . 16957 2
810 . 1 1 75 75 LYS HD3 H 1 1.385 0.05 . 2 . . . . 79 K HD3 . 16957 2
811 . 1 1 75 75 LYS HE2 H 1 2.853 0.05 . 2 . . . . 79 K HE2 . 16957 2
812 . 1 1 75 75 LYS HE3 H 1 2.792 0.05 . 2 . . . . 79 K HE3 . 16957 2
813 . 1 1 75 75 LYS HG2 H 1 1.112 0.05 . 2 . . . . 79 K HG2 . 16957 2
814 . 1 1 75 75 LYS HG3 H 1 1.058 0.05 . 2 . . . . 79 K HG3 . 16957 2
815 . 1 1 75 75 LYS CA C 13 57.422 0.2 . 1 . . . . 79 K CA . 16957 2
816 . 1 1 75 75 LYS CB C 13 31.154 0.2 . 1 . . . . 79 K CB . 16957 2
817 . 1 1 75 75 LYS CD C 13 28.482 0.2 . 1 . . . . 79 K CD . 16957 2
818 . 1 1 75 75 LYS CE C 13 41.522 0.2 . 1 . . . . 79 K CE . 16957 2
819 . 1 1 75 75 LYS CG C 13 24.223 0.2 . 1 . . . . 79 K CG . 16957 2
820 . 1 1 75 75 LYS N N 15 121.450 0.1 . 1 . . . . 79 K N . 16957 2
821 . 1 1 76 76 SER H H 1 7.147 0.05 . 1 . . . . 80 S H . 16957 2
822 . 1 1 76 76 SER HA H 1 4.013 0.05 . 1 . . . . 80 S HA . 16957 2
823 . 1 1 76 76 SER HB2 H 1 3.709 0.05 . 2 . . . . 80 S HB . 16957 2
824 . 1 1 76 76 SER HB3 H 1 3.709 0.05 . 2 . . . . 80 S HB . 16957 2
825 . 1 1 76 76 SER CA C 13 60.416 0.2 . 1 . . . . 80 S CA . 16957 2
826 . 1 1 76 76 SER CB C 13 63.990 0.2 . 1 . . . . 80 S CB . 16957 2
827 . 1 1 76 76 SER N N 15 113.299 0.1 . 1 . . . . 80 S N . 16957 2
828 . 1 1 77 77 GLY H H 1 7.327 0.05 . 1 . . . . 81 G H . 16957 2
829 . 1 1 77 77 GLY HA2 H 1 4.279 0.05 . 2 . . . . 81 G HA2 . 16957 2
830 . 1 1 77 77 GLY HA3 H 1 3.695 0.05 . 2 . . . . 81 G HA3 . 16957 2
831 . 1 1 77 77 GLY CA C 13 45.055 0.2 . 1 . . . . 81 G CA . 16957 2
832 . 1 1 77 77 GLY N N 15 109.246 0.1 . 1 . . . . 81 G N . 16957 2
833 . 1 1 78 78 ASP H H 1 7.798 0.05 . 1 . . . . 82 D H . 16957 2
834 . 1 1 78 78 ASP HA H 1 4.854 0.05 . 1 . . . . 82 D HA . 16957 2
835 . 1 1 78 78 ASP HB2 H 1 2.637 0.05 . 2 . . . . 82 D HB . 16957 2
836 . 1 1 78 78 ASP HB3 H 1 2.637 0.05 . 2 . . . . 82 D HB . 16957 2
837 . 1 1 78 78 ASP CA C 13 51.267 0.2 . 1 . . . . 82 D CA . 16957 2
838 . 1 1 78 78 ASP CB C 13 40.349 0.2 . 1 . . . . 82 D CB . 16957 2
839 . 1 1 78 78 ASP N N 15 116.273 0.1 . 1 . . . . 82 D N . 16957 2
840 . 1 1 79 79 PRO HA H 1 3.993 0.05 . 1 . . . . 83 P HA . 16957 2
841 . 1 1 79 79 PRO HB2 H 1 1.817 0.05 . 2 . . . . 83 P HB2 . 16957 2
842 . 1 1 79 79 PRO HB3 H 1 1.635 0.05 . 2 . . . . 83 P HB3 . 16957 2
843 . 1 1 79 79 PRO HD2 H 1 3.885 0.05 . 2 . . . . 83 P HD2 . 16957 2
844 . 1 1 79 79 PRO HD3 H 1 3.386 0.05 . 2 . . . . 83 P HD3 . 16957 2
845 . 1 1 79 79 PRO HG2 H 1 2.064 0.05 . 2 . . . . 83 P HG2 . 16957 2
846 . 1 1 79 79 PRO HG3 H 1 1.716 0.05 . 2 . . . . 83 P HG3 . 16957 2
847 . 1 1 79 79 PRO CA C 13 65.411 0.2 . 1 . . . . 83 P CA . 16957 2
848 . 1 1 79 79 PRO CB C 13 31.742 0.2 . 1 . . . . 83 P CB . 16957 2
849 . 1 1 79 79 PRO CD C 13 49.719 0.2 . 1 . . . . 83 P CD . 16957 2
850 . 1 1 79 79 PRO CG C 13 27.331 0.2 . 1 . . . . 83 P CG . 16957 2
851 . 1 1 80 80 ALA H H 1 8.233 0.05 . 1 . . . . 84 A H . 16957 2
852 . 1 1 80 80 ALA HA H 1 4.002 0.05 . 1 . . . . 84 A HA . 16957 2
853 . 1 1 80 80 ALA HB1 H 1 1.461 0.05 . 1 . . . . 84 A HB . 16957 2
854 . 1 1 80 80 ALA HB2 H 1 1.461 0.05 . 1 . . . . 84 A HB . 16957 2
855 . 1 1 80 80 ALA HB3 H 1 1.461 0.05 . 1 . . . . 84 A HB . 16957 2
856 . 1 1 80 80 ALA CA C 13 55.234 0.2 . 1 . . . . 84 A CA . 16957 2
857 . 1 1 80 80 ALA CB C 13 18.279 0.2 . 1 . . . . 84 A CB . 16957 2
858 . 1 1 80 80 ALA N N 15 118.073 0.1 . 1 . . . . 84 A N . 16957 2
859 . 1 1 81 81 GLY H H 1 7.756 0.05 . 1 . . . . 85 G H . 16957 2
860 . 1 1 81 81 GLY HA2 H 1 3.857 0.05 . 2 . . . . 85 G HA2 . 16957 2
861 . 1 1 81 81 GLY HA3 H 1 3.745 0.05 . 2 . . . . 85 G HA3 . 16957 2
862 . 1 1 81 81 GLY CA C 13 46.891 0.2 . 1 . . . . 85 G CA . 16957 2
863 . 1 1 81 81 GLY N N 15 106.529 0.1 . 1 . . . . 85 G N . 16957 2
864 . 1 1 82 82 TYR H H 1 8.662 0.05 . 1 . . . . 86 Y H . 16957 2
865 . 1 1 82 82 TYR HA H 1 3.829 0.05 . 1 . . . . 86 Y HA . 16957 2
866 . 1 1 82 82 TYR HB2 H 1 3.203 0.05 . 2 . . . . 86 Y HB2 . 16957 2
867 . 1 1 82 82 TYR HB3 H 1 2.921 0.05 . 2 . . . . 86 Y HB3 . 16957 2
868 . 1 1 82 82 TYR HD1 H 1 6.653 0.05 . 3 . . . . 86 Y HD1 . 16957 2
869 . 1 1 82 82 TYR HE1 H 1 6.447 0.05 . 3 . . . . 86 Y HE1 . 16957 2
870 . 1 1 82 82 TYR CA C 13 62.257 0.2 . 1 . . . . 86 Y CA . 16957 2
871 . 1 1 82 82 TYR CB C 13 38.945 0.2 . 1 . . . . 86 Y CB . 16957 2
872 . 1 1 82 82 TYR CD1 C 13 132.876 0.2 . 3 . . . . 86 Y CD1 . 16957 2
873 . 1 1 82 82 TYR CE1 C 13 119.007 0.2 . 3 . . . . 86 Y CE1 . 16957 2
874 . 1 1 82 82 TYR N N 15 124.312 0.1 . 1 . . . . 86 Y N . 16957 2
875 . 1 1 83 83 VAL H H 1 8.156 0.05 . 1 . . . . 87 V H . 16957 2
876 . 1 1 83 83 VAL HA H 1 3.730 0.05 . 1 . . . . 87 V HA . 16957 2
877 . 1 1 83 83 VAL HB H 1 2.152 0.05 . 1 . . . . 87 V HB . 16957 2
878 . 1 1 83 83 VAL HG11 H 1 0.927 0.05 . 1 . . . . 87 V HG1 . 16957 2
879 . 1 1 83 83 VAL HG12 H 1 0.927 0.05 . 1 . . . . 87 V HG1 . 16957 2
880 . 1 1 83 83 VAL HG13 H 1 0.927 0.05 . 1 . . . . 87 V HG1 . 16957 2
881 . 1 1 83 83 VAL HG21 H 1 1.155 0.05 . 1 . . . . 87 V HG2 . 16957 2
882 . 1 1 83 83 VAL HG22 H 1 1.155 0.05 . 1 . . . . 87 V HG2 . 16957 2
883 . 1 1 83 83 VAL HG23 H 1 1.155 0.05 . 1 . . . . 87 V HG2 . 16957 2
884 . 1 1 83 83 VAL CA C 13 65.059 0.2 . 1 . . . . 87 V CA . 16957 2
885 . 1 1 83 83 VAL CB C 13 31.538 0.2 . 1 . . . . 87 V CB . 16957 2
886 . 1 1 83 83 VAL CG1 C 13 21.179 0.2 . 1 . . . . 87 V CG1 . 16957 2
887 . 1 1 83 83 VAL CG2 C 13 22.314 0.2 . 1 . . . . 87 V CG2 . 16957 2
888 . 1 1 83 83 VAL N N 15 120.900 0.1 . 1 . . . . 87 V N . 16957 2
889 . 1 1 84 84 LYS H H 1 7.285 0.05 . 1 . . . . 88 K H . 16957 2
890 . 1 1 84 84 LYS HA H 1 3.799 0.05 . 1 . . . . 88 K HA . 16957 2
891 . 1 1 84 84 LYS HB2 H 1 1.902 0.05 . 2 . . . . 88 K HB . 16957 2
892 . 1 1 84 84 LYS HB3 H 1 1.902 0.05 . 2 . . . . 88 K HB . 16957 2
893 . 1 1 84 84 LYS HD2 H 1 1.695 0.05 . 2 . . . . 88 K HD . 16957 2
894 . 1 1 84 84 LYS HD3 H 1 1.695 0.05 . 2 . . . . 88 K HD . 16957 2
895 . 1 1 84 84 LYS HE2 H 1 2.923 0.05 . 2 . . . . 88 K HE . 16957 2
896 . 1 1 84 84 LYS HE3 H 1 2.923 0.05 . 2 . . . . 88 K HE . 16957 2
897 . 1 1 84 84 LYS HG2 H 1 1.647 0.05 . 2 . . . . 88 K HG2 . 16957 2
898 . 1 1 84 84 LYS HG3 H 1 1.427 0.05 . 2 . . . . 88 K HG3 . 16957 2
899 . 1 1 84 84 LYS CA C 13 59.685 0.2 . 1 . . . . 88 K CA . 16957 2
900 . 1 1 84 84 LYS CB C 13 32.208 0.2 . 1 . . . . 88 K CB . 16957 2
901 . 1 1 84 84 LYS CD C 13 29.199 0.2 . 1 . . . . 88 K CD . 16957 2
902 . 1 1 84 84 LYS CE C 13 41.752 0.2 . 1 . . . . 88 K CE . 16957 2
903 . 1 1 84 84 LYS CG C 13 25.776 0.2 . 1 . . . . 88 K CG . 16957 2
904 . 1 1 84 84 LYS N N 15 115.177 0.1 . 1 . . . . 88 K N . 16957 2
905 . 1 1 85 85 LYS H H 1 7.392 0.05 . 1 . . . . 89 K H . 16957 2
906 . 1 1 85 85 LYS HA H 1 4.315 0.05 . 1 . . . . 89 K HA . 16957 2
907 . 1 1 85 85 LYS HB2 H 1 1.841 0.05 . 2 . . . . 89 K HB2 . 16957 2
908 . 1 1 85 85 LYS HB3 H 1 1.805 0.05 . 2 . . . . 89 K HB3 . 16957 2
909 . 1 1 85 85 LYS HD2 H 1 1.594 0.05 . 2 . . . . 89 K HD . 16957 2
910 . 1 1 85 85 LYS HD3 H 1 1.594 0.05 . 2 . . . . 89 K HD . 16957 2
911 . 1 1 85 85 LYS HE2 H 1 2.882 0.05 . 2 . . . . 89 K HE . 16957 2
912 . 1 1 85 85 LYS HE3 H 1 2.882 0.05 . 2 . . . . 89 K HE . 16957 2
913 . 1 1 85 85 LYS HG2 H 1 1.486 0.05 . 2 . . . . 89 K HG2 . 16957 2
914 . 1 1 85 85 LYS HG3 H 1 1.455 0.05 . 2 . . . . 89 K HG3 . 16957 2
915 . 1 1 85 85 LYS CA C 13 57.341 0.2 . 1 . . . . 89 K CA . 16957 2
916 . 1 1 85 85 LYS CB C 13 33.122 0.2 . 1 . . . . 89 K CB . 16957 2
917 . 1 1 85 85 LYS CD C 13 29.214 0.2 . 1 . . . . 89 K CD . 16957 2
918 . 1 1 85 85 LYS CE C 13 41.753 0.2 . 1 . . . . 89 K CE . 16957 2
919 . 1 1 85 85 LYS CG C 13 24.927 0.2 . 1 . . . . 89 K CG . 16957 2
920 . 1 1 85 85 LYS N N 15 115.547 0.1 . 1 . . . . 89 K N . 16957 2
921 . 1 1 86 86 THR H H 1 7.571 0.05 . 1 . . . . 90 T H . 16957 2
922 . 1 1 86 86 THR HA H 1 4.308 0.05 . 1 . . . . 90 T HA . 16957 2
923 . 1 1 86 86 THR HB H 1 4.545 0.05 . 1 . . . . 90 T HB . 16957 2
924 . 1 1 86 86 THR HG21 H 1 0.602 0.05 . 1 . . . . 90 T HG2 . 16957 2
925 . 1 1 86 86 THR HG22 H 1 0.602 0.05 . 1 . . . . 90 T HG2 . 16957 2
926 . 1 1 86 86 THR HG23 H 1 0.602 0.05 . 1 . . . . 90 T HG2 . 16957 2
927 . 1 1 86 86 THR CA C 13 60.356 0.2 . 1 . . . . 90 T CA . 16957 2
928 . 1 1 86 86 THR CB C 13 68.343 0.2 . 1 . . . . 90 T CB . 16957 2
929 . 1 1 86 86 THR CG2 C 13 20.517 0.2 . 1 . . . . 90 T CG2 . 16957 2
930 . 1 1 86 86 THR N N 15 109.728 0.1 . 1 . . . . 90 T N . 16957 2
931 . 1 1 87 87 LEU H H 1 7.246 0.05 . 1 . . . . 91 L H . 16957 2
932 . 1 1 87 87 LEU HA H 1 3.927 0.05 . 1 . . . . 91 L HA . 16957 2
933 . 1 1 87 87 LEU HB2 H 1 1.791 0.05 . 2 . . . . 91 L HB2 . 16957 2
934 . 1 1 87 87 LEU HB3 H 1 1.414 0.05 . 2 . . . . 91 L HB3 . 16957 2
935 . 1 1 87 87 LEU HD11 H 1 0.840 0.05 . 1 . . . . 91 L HD1 . 16957 2
936 . 1 1 87 87 LEU HD12 H 1 0.840 0.05 . 1 . . . . 91 L HD1 . 16957 2
937 . 1 1 87 87 LEU HD13 H 1 0.840 0.05 . 1 . . . . 91 L HD1 . 16957 2
938 . 1 1 87 87 LEU HD21 H 1 0.905 0.05 . 1 . . . . 91 L HD2 . 16957 2
939 . 1 1 87 87 LEU HD22 H 1 0.905 0.05 . 1 . . . . 91 L HD2 . 16957 2
940 . 1 1 87 87 LEU HD23 H 1 0.905 0.05 . 1 . . . . 91 L HD2 . 16957 2
941 . 1 1 87 87 LEU HG H 1 1.959 0.05 . 1 . . . . 91 L HG . 16957 2
942 . 1 1 87 87 LEU CA C 13 57.900 0.2 . 1 . . . . 91 L CA . 16957 2
943 . 1 1 87 87 LEU CB C 13 42.492 0.2 . 1 . . . . 91 L CB . 16957 2
944 . 1 1 87 87 LEU CD1 C 13 27.300 0.2 . 1 . . . . 91 L CD1 . 16957 2
945 . 1 1 87 87 LEU CD2 C 13 25.341 0.2 . 1 . . . . 91 L CD2 . 16957 2
946 . 1 1 87 87 LEU CG C 13 26.377 0.2 . 1 . . . . 91 L CG . 16957 2
947 . 1 1 87 87 LEU N N 15 122.110 0.1 . 1 . . . . 91 L N . 16957 2
948 . 1 1 88 88 TYR H H 1 7.269 0.05 . 1 . . . . 92 Y H . 16957 2
949 . 1 1 88 88 TYR HA H 1 4.116 0.05 . 1 . . . . 92 Y HA . 16957 2
950 . 1 1 88 88 TYR HB2 H 1 3.137 0.05 . 1 . . . . 92 Y HB2 . 16957 2
951 . 1 1 88 88 TYR HB3 H 1 2.891 0.05 . 1 . . . . 92 Y HB3 . 16957 2
952 . 1 1 88 88 TYR HD1 H 1 7.024 0.05 . 3 . . . . 92 Y HD . 16957 2
953 . 1 1 88 88 TYR HD2 H 1 7.024 0.05 . 3 . . . . 92 Y HD . 16957 2
954 . 1 1 88 88 TYR HE1 H 1 6.751 0.05 . 3 . . . . 92 Y HE . 16957 2
955 . 1 1 88 88 TYR HE2 H 1 6.751 0.05 . 3 . . . . 92 Y HE . 16957 2
956 . 1 1 88 88 TYR CA C 13 57.936 0.2 . 1 . . . . 92 Y CA . 16957 2
957 . 1 1 88 88 TYR CB C 13 37.039 0.2 . 1 . . . . 92 Y CB . 16957 2
958 . 1 1 88 88 TYR CD1 C 13 133.382 0.2 . 3 . . . . 92 Y CD . 16957 2
959 . 1 1 88 88 TYR CD2 C 13 133.382 0.2 . 3 . . . . 92 Y CD . 16957 2
960 . 1 1 88 88 TYR CE1 C 13 118.549 0.2 . 3 . . . . 92 Y CE . 16957 2
961 . 1 1 88 88 TYR CE2 C 13 118.549 0.2 . 3 . . . . 92 Y CE . 16957 2
962 . 1 1 88 88 TYR N N 15 110.498 0.1 . 1 . . . . 92 Y N . 16957 2
963 . 1 1 89 89 GLU H H 1 7.901 0.05 . 1 . . . . 93 E H . 16957 2
964 . 1 1 89 89 GLU HA H 1 4.020 0.05 . 1 . . . . 93 E HA . 16957 2
965 . 1 1 89 89 GLU HB2 H 1 1.889 0.05 . 2 . . . . 93 E HB . 16957 2
966 . 1 1 89 89 GLU HB3 H 1 1.889 0.05 . 2 . . . . 93 E HB . 16957 2
967 . 1 1 89 89 GLU HG2 H 1 1.996 0.05 . 2 . . . . 93 E HG . 16957 2
968 . 1 1 89 89 GLU HG3 H 1 1.996 0.05 . 2 . . . . 93 E HG . 16957 2
969 . 1 1 89 89 GLU CA C 13 58.062 0.2 . 1 . . . . 93 E CA . 16957 2
970 . 1 1 89 89 GLU CB C 13 30.726 0.2 . 1 . . . . 93 E CB . 16957 2
971 . 1 1 89 89 GLU CG C 13 38.220 0.2 . 1 . . . . 93 E CG . 16957 2
972 . 1 1 89 89 GLU N N 15 119.929 0.1 . 1 . . . . 93 E N . 16957 2
973 . 1 1 90 90 ILE H H 1 7.336 0.05 . 1 . . . . 94 I H . 16957 2
974 . 1 1 90 90 ILE HA H 1 3.466 0.05 . 1 . . . . 94 I HA . 16957 2
975 . 1 1 90 90 ILE HB H 1 2.082 0.05 . 1 . . . . 94 I HB . 16957 2
976 . 1 1 90 90 ILE HD11 H 1 0.725 0.05 . 1 . . . . 94 I HD1 . 16957 2
977 . 1 1 90 90 ILE HD12 H 1 0.725 0.05 . 1 . . . . 94 I HD1 . 16957 2
978 . 1 1 90 90 ILE HD13 H 1 0.725 0.05 . 1 . . . . 94 I HD1 . 16957 2
979 . 1 1 90 90 ILE HG12 H 1 1.490 0.05 . 2 . . . . 94 I HG12 . 16957 2
980 . 1 1 90 90 ILE HG13 H 1 1.173 0.05 . 2 . . . . 94 I HG13 . 16957 2
981 . 1 1 90 90 ILE HG21 H 1 0.695 0.05 . 1 . . . . 94 I HG2 . 16957 2
982 . 1 1 90 90 ILE HG22 H 1 0.695 0.05 . 1 . . . . 94 I HG2 . 16957 2
983 . 1 1 90 90 ILE HG23 H 1 0.695 0.05 . 1 . . . . 94 I HG2 . 16957 2
984 . 1 1 90 90 ILE CA C 13 64.941 0.2 . 1 . . . . 94 I CA . 16957 2
985 . 1 1 90 90 ILE CB C 13 34.398 0.2 . 1 . . . . 94 I CB . 16957 2
986 . 1 1 90 90 ILE CD1 C 13 11.693 0.2 . 1 . . . . 94 I CD1 . 16957 2
987 . 1 1 90 90 ILE CG1 C 13 28.893 0.2 . 1 . . . . 94 I CG1 . 16957 2
988 . 1 1 90 90 ILE CG2 C 13 17.263 0.2 . 1 . . . . 94 I CG2 . 16957 2
989 . 1 1 90 90 ILE N N 15 117.084 0.1 . 1 . . . . 94 I N . 16957 2
990 . 1 1 91 91 PRO HA H 1 3.981 0.05 . 1 . . . . 95 P HA . 16957 2
991 . 1 1 91 91 PRO HB2 H 1 1.986 0.05 . 2 . . . . 95 P HB2 . 16957 2
992 . 1 1 91 91 PRO HB3 H 1 1.909 0.05 . 2 . . . . 95 P HB3 . 16957 2
993 . 1 1 91 91 PRO HD2 H 1 3.762 0.05 . 2 . . . . 95 P HD2 . 16957 2
994 . 1 1 91 91 PRO HD3 H 1 3.600 0.05 . 2 . . . . 95 P HD3 . 16957 2
995 . 1 1 91 91 PRO HG2 H 1 1.684 0.05 . 2 . . . . 95 P HG2 . 16957 2
996 . 1 1 91 91 PRO HG3 H 1 1.558 0.05 . 2 . . . . 95 P HG3 . 16957 2
997 . 1 1 91 91 PRO CA C 13 65.715 0.2 . 1 . . . . 95 P CA . 16957 2
998 . 1 1 92 92 ALA H H 1 7.117 0.05 . 1 . . . . 96 A H . 16957 2
999 . 1 1 92 92 ALA HA H 1 4.009 0.05 . 1 . . . . 96 A HA . 16957 2
1000 . 1 1 92 92 ALA HB1 H 1 1.332 0.05 . 1 . . . . 96 A HB . 16957 2
1001 . 1 1 92 92 ALA HB2 H 1 1.332 0.05 . 1 . . . . 96 A HB . 16957 2
1002 . 1 1 92 92 ALA HB3 H 1 1.332 0.05 . 1 . . . . 96 A HB . 16957 2
1003 . 1 1 92 92 ALA CA C 13 53.963 0.2 . 1 . . . . 96 A CA . 16957 2
1004 . 1 1 92 92 ALA CB C 13 19.616 0.2 . 1 . . . . 96 A CB . 16957 2
1005 . 1 1 92 92 ALA N N 15 112.345 0.1 . 1 . . . . 96 A N . 16957 2
1006 . 1 1 93 93 LEU H H 1 7.595 0.05 . 1 . . . . 97 L H . 16957 2
1007 . 1 1 93 93 LEU HA H 1 3.989 0.05 . 1 . . . . 97 L HA . 16957 2
1008 . 1 1 93 93 LEU HB2 H 1 1.545 0.05 . 2 . . . . 97 L HB . 16957 2
1009 . 1 1 93 93 LEU HB3 H 1 1.545 0.05 . 2 . . . . 97 L HB . 16957 2
1010 . 1 1 93 93 LEU HD11 H 1 -0.215 0.05 . 1 . . . . 97 L HD1 . 16957 2
1011 . 1 1 93 93 LEU HD12 H 1 -0.215 0.05 . 1 . . . . 97 L HD1 . 16957 2
1012 . 1 1 93 93 LEU HD13 H 1 -0.215 0.05 . 1 . . . . 97 L HD1 . 16957 2
1013 . 1 1 93 93 LEU HD21 H 1 0.343 0.05 . 1 . . . . 97 L HD2 . 16957 2
1014 . 1 1 93 93 LEU HD22 H 1 0.343 0.05 . 1 . . . . 97 L HD2 . 16957 2
1015 . 1 1 93 93 LEU HD23 H 1 0.343 0.05 . 1 . . . . 97 L HD2 . 16957 2
1016 . 1 1 93 93 LEU HG H 1 1.472 0.05 . 1 . . . . 97 L HG . 16957 2
1017 . 1 1 93 93 LEU CA C 13 53.785 0.2 . 1 . . . . 97 L CA . 16957 2
1018 . 1 1 93 93 LEU CD1 C 13 24.492 0.2 . 1 . . . . 97 L CD1 . 16957 2
1019 . 1 1 93 93 LEU CD2 C 13 22.548 0.2 . 1 . . . . 97 L CD2 . 16957 2
1020 . 1 1 93 93 LEU CG C 13 25.352 0.2 . 1 . . . . 97 L CG . 16957 2
1021 . 1 1 93 93 LEU N N 15 112.920 0.1 . 1 . . . . 97 L N . 16957 2
1022 . 1 1 94 94 VAL H H 1 7.108 0.05 . 1 . . . . 98 V H . 16957 2
1023 . 1 1 94 94 VAL HA H 1 4.122 0.05 . 1 . . . . 98 V HA . 16957 2
1024 . 1 1 94 94 VAL HB H 1 2.154 0.05 . 1 . . . . 98 V HB . 16957 2
1025 . 1 1 94 94 VAL HG11 H 1 0.849 0.05 . 1 . . . . 98 V HG1 . 16957 2
1026 . 1 1 94 94 VAL HG12 H 1 0.849 0.05 . 1 . . . . 98 V HG1 . 16957 2
1027 . 1 1 94 94 VAL HG13 H 1 0.849 0.05 . 1 . . . . 98 V HG1 . 16957 2
1028 . 1 1 94 94 VAL HG21 H 1 0.934 0.05 . 1 . . . . 98 V HG2 . 16957 2
1029 . 1 1 94 94 VAL HG22 H 1 0.934 0.05 . 1 . . . . 98 V HG2 . 16957 2
1030 . 1 1 94 94 VAL HG23 H 1 0.934 0.05 . 1 . . . . 98 V HG2 . 16957 2
1031 . 1 1 94 94 VAL CB C 13 32.948 0.2 . 1 . . . . 98 V CB . 16957 2
1032 . 1 1 94 94 VAL CG1 C 13 20.951 0.2 . 1 . . . . 98 V CG1 . 16957 2
1033 . 1 1 94 94 VAL CG2 C 13 22.110 0.2 . 1 . . . . 98 V CG2 . 16957 2
1034 . 1 1 94 94 VAL N N 15 119.307 0.1 . 1 . . . . 98 V N . 16957 2
1035 . 1 1 95 95 PRO HA H 1 4.534 0.05 . 1 . . . . 99 P HA . 16957 2
1036 . 1 1 95 95 PRO HD2 H 1 4.392 0.05 . 2 . . . . 99 P HD2 . 16957 2
1037 . 1 1 95 95 PRO HD3 H 1 3.518 0.05 . 2 . . . . 99 P HD3 . 16957 2
1038 . 1 1 95 95 PRO HG2 H 1 1.919 0.05 . 2 . . . . 99 P HG . 16957 2
1039 . 1 1 95 95 PRO HG3 H 1 1.919 0.05 . 2 . . . . 99 P HG . 16957 2
1040 . 1 1 95 95 PRO CA C 13 62.022 0.2 . 1 . . . . 99 P CA . 16957 2
1041 . 1 1 95 95 PRO CD C 13 50.296 0.2 . 1 . . . . 99 P CD . 16957 2
1042 . 1 1 95 95 PRO CG C 13 27.726 0.2 . 1 . . . . 99 P CG . 16957 2
1043 . 1 1 96 96 ALA H H 1 9.957 0.05 . 1 . . . . 100 A H . 16957 2
1044 . 1 1 96 96 ALA HA H 1 3.836 0.05 . 1 . . . . 100 A HA . 16957 2
1045 . 1 1 96 96 ALA HB1 H 1 1.461 0.05 . 1 . . . . 100 A HB . 16957 2
1046 . 1 1 96 96 ALA HB2 H 1 1.461 0.05 . 1 . . . . 100 A HB . 16957 2
1047 . 1 1 96 96 ALA HB3 H 1 1.461 0.05 . 1 . . . . 100 A HB . 16957 2
1048 . 1 1 96 96 ALA CA C 13 54.963 0.2 . 1 . . . . 100 A CA . 16957 2
1049 . 1 1 96 96 ALA CB C 13 17.247 0.2 . 1 . . . . 100 A CB . 16957 2
1050 . 1 1 96 96 ALA N N 15 132.320 0.1 . 1 . . . . 100 A N . 16957 2
1051 . 1 1 97 97 GLY H H 1 9.610 0.05 . 1 . . . . 101 G H . 16957 2
1052 . 1 1 97 97 GLY HA2 H 1 2.824 0.05 . 2 . . . . 101 G HA2 . 16957 2
1053 . 1 1 97 97 GLY HA3 H 1 2.505 0.05 . 2 . . . . 101 G HA3 . 16957 2
1054 . 1 1 97 97 GLY CA C 13 45.283 0.2 . 1 . . . . 101 G CA . 16957 2
1055 . 1 1 97 97 GLY N N 15 104.737 0.1 . 1 . . . . 101 G N . 16957 2
1056 . 1 1 98 98 LEU H H 1 7.130 0.05 . 1 . . . . 102 L H . 16957 2
1057 . 1 1 98 98 LEU HA H 1 4.062 0.05 . 1 . . . . 102 L HA . 16957 2
1058 . 1 1 98 98 LEU HB2 H 1 1.912 0.05 . 2 . . . . 102 L HB2 . 16957 2
1059 . 1 1 98 98 LEU HB3 H 1 1.324 0.05 . 2 . . . . 102 L HB3 . 16957 2
1060 . 1 1 98 98 LEU HD11 H 1 0.887 0.05 . 2 . . . . 102 L HD1 . 16957 2
1061 . 1 1 98 98 LEU HD12 H 1 0.887 0.05 . 2 . . . . 102 L HD1 . 16957 2
1062 . 1 1 98 98 LEU HD13 H 1 0.887 0.05 . 2 . . . . 102 L HD1 . 16957 2
1063 . 1 1 98 98 LEU HG H 1 1.554 0.05 . 1 . . . . 102 L HG . 16957 2
1064 . 1 1 98 98 LEU CA C 13 57.266 0.2 . 1 . . . . 102 L CA . 16957 2
1065 . 1 1 98 98 LEU CB C 13 42.155 0.2 . 1 . . . . 102 L CB . 16957 2
1066 . 1 1 98 98 LEU CD1 C 13 23.661 0.2 . 2 . . . . 102 L CD1 . 16957 2
1067 . 1 1 98 98 LEU N N 15 118.145 0.1 . 1 . . . . 102 L N . 16957 2
1068 . 1 1 99 99 LEU H H 1 6.888 0.05 . 1 . . . . 103 L H . 16957 2
1069 . 1 1 99 99 LEU HA H 1 3.891 0.05 . 1 . . . . 103 L HA . 16957 2
1070 . 1 1 99 99 LEU HB2 H 1 1.907 0.05 . 2 . . . . 103 L HB2 . 16957 2
1071 . 1 1 99 99 LEU HB3 H 1 1.518 0.05 . 2 . . . . 103 L HB3 . 16957 2
1072 . 1 1 99 99 LEU HD11 H 1 0.891 0.05 . 1 . . . . 103 L HD1 . 16957 2
1073 . 1 1 99 99 LEU HD12 H 1 0.891 0.05 . 1 . . . . 103 L HD1 . 16957 2
1074 . 1 1 99 99 LEU HD13 H 1 0.891 0.05 . 1 . . . . 103 L HD1 . 16957 2
1075 . 1 1 99 99 LEU HD21 H 1 0.771 0.05 . 1 . . . . 103 L HD2 . 16957 2
1076 . 1 1 99 99 LEU HD22 H 1 0.771 0.05 . 1 . . . . 103 L HD2 . 16957 2
1077 . 1 1 99 99 LEU HD23 H 1 0.771 0.05 . 1 . . . . 103 L HD2 . 16957 2
1078 . 1 1 99 99 LEU HG H 1 1.647 0.05 . 1 . . . . 103 L HG . 16957 2
1079 . 1 1 99 99 LEU CB C 13 40.077 0.2 . 1 . . . . 103 L CB . 16957 2
1080 . 1 1 99 99 LEU CD2 C 13 22.816 0.2 . 1 . . . . 103 L CD2 . 16957 2
1081 . 1 1 99 99 LEU N N 15 116.535 0.1 . 1 . . . . 103 L N . 16957 2
1082 . 1 1 100 100 ALA H H 1 7.639 0.05 . 1 . . . . 104 A H . 16957 2
1083 . 1 1 100 100 ALA HA H 1 4.077 0.05 . 1 . . . . 104 A HA . 16957 2
1084 . 1 1 100 100 ALA HB1 H 1 1.317 0.05 . 1 . . . . 104 A HB . 16957 2
1085 . 1 1 100 100 ALA HB2 H 1 1.317 0.05 . 1 . . . . 104 A HB . 16957 2
1086 . 1 1 100 100 ALA HB3 H 1 1.317 0.05 . 1 . . . . 104 A HB . 16957 2
1087 . 1 1 100 100 ALA CA C 13 55.018 0.2 . 1 . . . . 104 A CA . 16957 2
1088 . 1 1 100 100 ALA CB C 13 18.164 0.2 . 1 . . . . 104 A CB . 16957 2
1089 . 1 1 100 100 ALA N N 15 120.175 0.1 . 1 . . . . 104 A N . 16957 2
1090 . 1 1 101 101 LEU H H 1 7.653 0.05 . 1 . . . . 105 L H . 16957 2
1091 . 1 1 101 101 LEU HA H 1 4.130 0.05 . 1 . . . . 105 L HA . 16957 2
1092 . 1 1 101 101 LEU HB2 H 1 1.881 0.05 . 2 . . . . 105 L HB2 . 16957 2
1093 . 1 1 101 101 LEU HB3 H 1 1.707 0.05 . 2 . . . . 105 L HB3 . 16957 2
1094 . 1 1 101 101 LEU HD21 H 1 0.866 0.05 . 2 . . . . 105 L HD2 . 16957 2
1095 . 1 1 101 101 LEU HD22 H 1 0.866 0.05 . 2 . . . . 105 L HD2 . 16957 2
1096 . 1 1 101 101 LEU HD23 H 1 0.866 0.05 . 2 . . . . 105 L HD2 . 16957 2
1097 . 1 1 101 101 LEU HG H 1 1.771 0.05 . 1 . . . . 105 L HG . 16957 2
1098 . 1 1 101 101 LEU CD2 C 13 24.633 0.2 . 2 . . . . 105 L CD2 . 16957 2
1099 . 1 1 101 101 LEU N N 15 118.928 0.1 . 1 . . . . 105 L N . 16957 2
1100 . 1 1 102 102 ILE H H 1 7.837 0.05 . 1 . . . . 106 I H . 16957 2
1101 . 1 1 102 102 ILE HA H 1 3.688 0.05 . 1 . . . . 106 I HA . 16957 2
1102 . 1 1 102 102 ILE HB H 1 1.911 0.05 . 1 . . . . 106 I HB . 16957 2
1103 . 1 1 102 102 ILE HD11 H 1 0.746 0.05 . 1 . . . . 106 I HD1 . 16957 2
1104 . 1 1 102 102 ILE HD12 H 1 0.746 0.05 . 1 . . . . 106 I HD1 . 16957 2
1105 . 1 1 102 102 ILE HD13 H 1 0.746 0.05 . 1 . . . . 106 I HD1 . 16957 2
1106 . 1 1 102 102 ILE HG12 H 1 1.558 0.05 . 2 . . . . 106 I HG12 . 16957 2
1107 . 1 1 102 102 ILE HG13 H 1 1.281 0.05 . 2 . . . . 106 I HG13 . 16957 2
1108 . 1 1 102 102 ILE HG21 H 1 0.895 0.05 . 1 . . . . 106 I HG2 . 16957 2
1109 . 1 1 102 102 ILE HG22 H 1 0.895 0.05 . 1 . . . . 106 I HG2 . 16957 2
1110 . 1 1 102 102 ILE HG23 H 1 0.895 0.05 . 1 . . . . 106 I HG2 . 16957 2
1111 . 1 1 102 102 ILE CA C 13 65.197 0.2 . 1 . . . . 106 I CA . 16957 2
1112 . 1 1 102 102 ILE CB C 13 37.847 0.2 . 1 . . . . 106 I CB . 16957 2
1113 . 1 1 102 102 ILE CD1 C 13 13.261 0.2 . 1 . . . . 106 I CD1 . 16957 2
1114 . 1 1 102 102 ILE CG2 C 13 17.812 0.2 . 1 . . . . 106 I CG2 . 16957 2
1115 . 1 1 102 102 ILE N N 15 118.276 0.1 . 1 . . . . 106 I N . 16957 2
1116 . 1 1 103 103 GLU H H 1 8.706 0.05 . 1 . . . . 107 E H . 16957 2
1117 . 1 1 103 103 GLU HA H 1 3.697 0.05 . 1 . . . . 107 E HA . 16957 2
1118 . 1 1 103 103 GLU HB2 H 1 2.269 0.05 . 2 . . . . 107 E HB2 . 16957 2
1119 . 1 1 103 103 GLU HB3 H 1 2.097 0.05 . 2 . . . . 107 E HB3 . 16957 2
1120 . 1 1 103 103 GLU HG2 H 1 2.266 0.05 . 2 . . . . 107 E HG . 16957 2
1121 . 1 1 103 103 GLU HG3 H 1 2.266 0.05 . 2 . . . . 107 E HG . 16957 2
1122 . 1 1 103 103 GLU CA C 13 60.601 0.2 . 1 . . . . 107 E CA . 16957 2
1123 . 1 1 103 103 GLU CB C 13 29.570 0.2 . 1 . . . . 107 E CB . 16957 2
1124 . 1 1 103 103 GLU CG C 13 36.953 0.2 . 1 . . . . 107 E CG . 16957 2
1125 . 1 1 103 103 GLU N N 15 120.513 0.1 . 1 . . . . 107 E N . 16957 2
1126 . 1 1 104 104 GLY H H 1 8.193 0.05 . 1 . . . . 108 G H . 16957 2
1127 . 1 1 104 104 GLY HA2 H 1 3.978 0.05 . 2 . . . . 108 G HA . 16957 2
1128 . 1 1 104 104 GLY HA3 H 1 3.978 0.05 . 2 . . . . 108 G HA . 16957 2
1129 . 1 1 104 104 GLY N N 15 104.427 0.1 . 1 . . . . 108 G N . 16957 2
1130 . 1 1 105 105 HIS H H 1 7.945 0.05 . 1 . . . . 109 H H . 16957 2
1131 . 1 1 105 105 HIS HA H 1 4.436 0.05 . 1 . . . . 109 H HA . 16957 2
1132 . 1 1 105 105 HIS HB2 H 1 3.225 0.05 . 2 . . . . 109 H HB2 . 16957 2
1133 . 1 1 105 105 HIS HB3 H 1 3.101 0.05 . 2 . . . . 109 H HB3 . 16957 2
1134 . 1 1 105 105 HIS HD2 H 1 7.157 0.05 . 1 . . . . 109 H HD2 . 16957 2
1135 . 1 1 105 105 HIS HE1 H 1 7.701 0.05 . 1 . . . . 109 H HE1 . 16957 2
1136 . 1 1 105 105 HIS CA C 13 59.331 0.2 . 1 . . . . 109 H CA . 16957 2
1137 . 1 1 105 105 HIS CB C 13 31.136 0.2 . 1 . . . . 109 H CB . 16957 2
1138 . 1 1 105 105 HIS CD2 C 13 119.317 0.2 . 1 . . . . 109 H CD2 . 16957 2
1139 . 1 1 105 105 HIS CE1 C 13 139.664 0.2 . 1 . . . . 109 H CE1 . 16957 2
1140 . 1 1 105 105 HIS N N 15 122.340 0.1 . 1 . . . . 109 H N . 16957 2
1141 . 1 1 106 106 LEU H H 1 8.377 0.05 . 1 . . . . 110 L H . 16957 2
1142 . 1 1 106 106 LEU HA H 1 3.897 0.05 . 1 . . . . 110 L HA . 16957 2
1143 . 1 1 106 106 LEU HB2 H 1 2.074 0.05 . 2 . . . . 110 L HB2 . 16957 2
1144 . 1 1 106 106 LEU HB3 H 1 1.917 0.05 . 2 . . . . 110 L HB3 . 16957 2
1145 . 1 1 106 106 LEU HD11 H 1 0.803 0.05 . 1 . . . . 110 L HD1 . 16957 2
1146 . 1 1 106 106 LEU HD12 H 1 0.803 0.05 . 1 . . . . 110 L HD1 . 16957 2
1147 . 1 1 106 106 LEU HD13 H 1 0.803 0.05 . 1 . . . . 110 L HD1 . 16957 2
1148 . 1 1 106 106 LEU HD21 H 1 0.888 0.05 . 1 . . . . 110 L HD2 . 16957 2
1149 . 1 1 106 106 LEU HD22 H 1 0.888 0.05 . 1 . . . . 110 L HD2 . 16957 2
1150 . 1 1 106 106 LEU HD23 H 1 0.888 0.05 . 1 . . . . 110 L HD2 . 16957 2
1151 . 1 1 106 106 LEU HG H 1 1.376 0.05 . 1 . . . . 110 L HG . 16957 2
1152 . 1 1 106 106 LEU CD1 C 13 26.630 0.2 . 1 . . . . 110 L CD1 . 16957 2
1153 . 1 1 106 106 LEU CD2 C 13 23.032 0.2 . 1 . . . . 110 L CD2 . 16957 2
1154 . 1 1 106 106 LEU N N 15 117.930 0.1 . 1 . . . . 110 L N . 16957 2
1155 . 1 1 107 107 ALA H H 1 8.631 0.05 . 1 . . . . 111 A H . 16957 2
1156 . 1 1 107 107 ALA HA H 1 3.666 0.05 . 1 . . . . 111 A HA . 16957 2
1157 . 1 1 107 107 ALA HB1 H 1 1.549 0.05 . 1 . . . . 111 A HB . 16957 2
1158 . 1 1 107 107 ALA HB2 H 1 1.549 0.05 . 1 . . . . 111 A HB . 16957 2
1159 . 1 1 107 107 ALA HB3 H 1 1.549 0.05 . 1 . . . . 111 A HB . 16957 2
1160 . 1 1 107 107 ALA CA C 13 54.986 0.2 . 1 . . . . 111 A CA . 16957 2
1161 . 1 1 107 107 ALA CB C 13 17.799 0.2 . 1 . . . . 111 A CB . 16957 2
1162 . 1 1 107 107 ALA N N 15 122.293 0.1 . 1 . . . . 111 A N . 16957 2
1163 . 1 1 108 108 GLY H H 1 7.941 0.05 . 1 . . . . 112 G H . 16957 2
1164 . 1 1 108 108 GLY HA2 H 1 4.021 0.05 . 2 . . . . 112 G HA2 . 16957 2
1165 . 1 1 108 108 GLY HA3 H 1 3.893 0.05 . 2 . . . . 112 G HA3 . 16957 2
1166 . 1 1 108 108 GLY CA C 13 46.138 0.2 . 1 . . . . 112 G CA . 16957 2
1167 . 1 1 108 108 GLY N N 15 107.234 0.1 . 1 . . . . 112 G N . 16957 2
1168 . 1 1 109 109 LEU H H 1 7.188 0.05 . 1 . . . . 113 L H . 16957 2
1169 . 1 1 109 109 LEU HA H 1 4.314 0.05 . 1 . . . . 113 L HA . 16957 2
1170 . 1 1 109 109 LEU HB2 H 1 1.680 0.05 . 2 . . . . 113 L HB . 16957 2
1171 . 1 1 109 109 LEU HB3 H 1 1.680 0.05 . 2 . . . . 113 L HB . 16957 2
1172 . 1 1 109 109 LEU HD11 H 1 0.724 0.05 . 1 . . . . 113 L HD1 . 16957 2
1173 . 1 1 109 109 LEU HD12 H 1 0.724 0.05 . 1 . . . . 113 L HD1 . 16957 2
1174 . 1 1 109 109 LEU HD13 H 1 0.724 0.05 . 1 . . . . 113 L HD1 . 16957 2
1175 . 1 1 109 109 LEU HD21 H 1 0.822 0.05 . 1 . . . . 113 L HD2 . 16957 2
1176 . 1 1 109 109 LEU HD22 H 1 0.822 0.05 . 1 . . . . 113 L HD2 . 16957 2
1177 . 1 1 109 109 LEU HD23 H 1 0.822 0.05 . 1 . . . . 113 L HD2 . 16957 2
1178 . 1 1 109 109 LEU HG H 1 1.552 0.05 . 1 . . . . 113 L HG . 16957 2
1179 . 1 1 109 109 LEU CA C 13 54.577 0.2 . 1 . . . . 113 L CA . 16957 2
1180 . 1 1 109 109 LEU CD1 C 13 25.592 0.2 . 1 . . . . 113 L CD1 . 16957 2
1181 . 1 1 109 109 LEU CD2 C 13 22.399 0.2 . 1 . . . . 113 L CD2 . 16957 2
1182 . 1 1 109 109 LEU N N 15 118.851 0.1 . 1 . . . . 113 L N . 16957 2
1183 . 1 1 110 110 GLY H H 1 7.795 0.05 . 1 . . . . 114 G H . 16957 2
1184 . 1 1 110 110 GLY HA2 H 1 4.018 0.05 . 2 . . . . 114 G HA2 . 16957 2
1185 . 1 1 110 110 GLY HA3 H 1 3.440 0.05 . 2 . . . . 114 G HA3 . 16957 2
1186 . 1 1 110 110 GLY CA C 13 45.145 0.2 . 1 . . . . 114 G CA . 16957 2
1187 . 1 1 110 110 GLY N N 15 107.337 0.1 . 1 . . . . 114 G N . 16957 2
1188 . 1 1 111 111 LEU H H 1 7.596 0.05 . 1 . . . . 115 L H . 16957 2
1189 . 1 1 111 111 LEU HA H 1 4.685 0.05 . 1 . . . . 115 L HA . 16957 2
1190 . 1 1 111 111 LEU HB2 H 1 1.688 0.05 . 2 . . . . 115 L HB . 16957 2
1191 . 1 1 111 111 LEU HB3 H 1 1.688 0.05 . 2 . . . . 115 L HB . 16957 2
1192 . 1 1 111 111 LEU HD11 H 1 0.912 0.05 . 1 . . . . 115 L HD1 . 16957 2
1193 . 1 1 111 111 LEU HD12 H 1 0.912 0.05 . 1 . . . . 115 L HD1 . 16957 2
1194 . 1 1 111 111 LEU HD13 H 1 0.912 0.05 . 1 . . . . 115 L HD1 . 16957 2
1195 . 1 1 111 111 LEU HD21 H 1 0.832 0.05 . 1 . . . . 115 L HD2 . 16957 2
1196 . 1 1 111 111 LEU HD22 H 1 0.832 0.05 . 1 . . . . 115 L HD2 . 16957 2
1197 . 1 1 111 111 LEU HD23 H 1 0.832 0.05 . 1 . . . . 115 L HD2 . 16957 2
1198 . 1 1 111 111 LEU HG H 1 1.514 0.05 . 1 . . . . 115 L HG . 16957 2
1199 . 1 1 111 111 LEU CD1 C 13 26.463 0.2 . 1 . . . . 115 L CD1 . 16957 2
1200 . 1 1 111 111 LEU CD2 C 13 22.777 0.2 . 1 . . . . 115 L CD2 . 16957 2
1201 . 1 1 111 111 LEU CG C 13 26.036 0.2 . 1 . . . . 115 L CG . 16957 2
1202 . 1 1 111 111 LEU N N 15 122.290 0.1 . 1 . . . . 115 L N . 16957 2
1203 . 1 1 112 112 PHE H H 1 7.626 0.05 . 1 . . . . 116 F H . 16957 2
1204 . 1 1 112 112 PHE HA H 1 4.110 0.05 . 1 . . . . 116 F HA . 16957 2
1205 . 1 1 112 112 PHE HB2 H 1 3.262 0.05 . 2 . . . . 116 F HB2 . 16957 2
1206 . 1 1 112 112 PHE HB3 H 1 3.053 0.05 . 2 . . . . 116 F HB3 . 16957 2
1207 . 1 1 112 112 PHE HD1 H 1 7.247 0.05 . 3 . . . . 116 F HD . 16957 2
1208 . 1 1 112 112 PHE HD2 H 1 7.247 0.05 . 3 . . . . 116 F HD . 16957 2
1209 . 1 1 112 112 PHE HE1 H 1 7.465 0.05 . 3 . . . . 116 F HE . 16957 2
1210 . 1 1 112 112 PHE HE2 H 1 7.465 0.05 . 3 . . . . 116 F HE . 16957 2
1211 . 1 1 112 112 PHE HZ H 1 7.406 0.05 . 1 . . . . 116 F HZ . 16957 2
1212 . 1 1 112 112 PHE CA C 13 61.436 0.2 . 1 . . . . 116 F CA . 16957 2
1213 . 1 1 112 112 PHE CB C 13 38.464 0.2 . 1 . . . . 116 F CB . 16957 2
1214 . 1 1 112 112 PHE CD1 C 13 131.921 0.2 . 3 . . . . 116 F CD . 16957 2
1215 . 1 1 112 112 PHE CD2 C 13 131.921 0.2 . 3 . . . . 116 F CD . 16957 2
1216 . 1 1 112 112 PHE CE1 C 13 132.306 0.2 . 3 . . . . 116 F CE . 16957 2
1217 . 1 1 112 112 PHE CE2 C 13 132.306 0.2 . 3 . . . . 116 F CE . 16957 2
1218 . 1 1 112 112 PHE CZ C 13 131.005 0.2 . 1 . . . . 116 F CZ . 16957 2
1219 . 1 1 112 112 PHE N N 15 119.755 0.1 . 1 . . . . 116 F N . 16957 2
1220 . 1 1 113 113 ARG HA H 1 4.112 0.05 . 1 . . . . 117 R HA . 16957 2
1221 . 1 1 113 113 ARG HD2 H 1 3.203 0.05 . 2 . . . . 117 R HD . 16957 2
1222 . 1 1 113 113 ARG HD3 H 1 3.203 0.05 . 2 . . . . 117 R HD . 16957 2
1223 . 1 1 113 113 ARG HG2 H 1 1.579 0.05 . 4 . . . . 117 R HG . 16957 2
1224 . 1 1 113 113 ARG HG3 H 1 1.579 0.05 . 4 . . . . 117 R HG . 16957 2
1225 . 1 1 113 113 ARG CA C 13 59.548 0.2 . 1 . . . . 117 R CA . 16957 2
1226 . 1 1 114 114 LEU H H 1 7.360 0.05 . 1 . . . . 118 L H . 16957 2
1227 . 1 1 114 114 LEU HA H 1 4.184 0.05 . 1 . . . . 118 L HA . 16957 2
1228 . 1 1 114 114 LEU HB2 H 1 1.979 0.05 . 2 . . . . 118 L HB2 . 16957 2
1229 . 1 1 114 114 LEU HB3 H 1 1.569 0.05 . 2 . . . . 118 L HB3 . 16957 2
1230 . 1 1 114 114 LEU HD11 H 1 0.991 0.05 . 1 . . . . 118 L HD1 . 16957 2
1231 . 1 1 114 114 LEU HD12 H 1 0.991 0.05 . 1 . . . . 118 L HD1 . 16957 2
1232 . 1 1 114 114 LEU HD13 H 1 0.991 0.05 . 1 . . . . 118 L HD1 . 16957 2
1233 . 1 1 114 114 LEU HD21 H 1 0.888 0.05 . 1 . . . . 118 L HD2 . 16957 2
1234 . 1 1 114 114 LEU HD22 H 1 0.888 0.05 . 1 . . . . 118 L HD2 . 16957 2
1235 . 1 1 114 114 LEU HD23 H 1 0.888 0.05 . 1 . . . . 118 L HD2 . 16957 2
1236 . 1 1 114 114 LEU HG H 1 1.749 0.05 . 1 . . . . 118 L HG . 16957 2
1237 . 1 1 114 114 LEU CD1 C 13 25.524 0.2 . 1 . . . . 118 L CD1 . 16957 2
1238 . 1 1 114 114 LEU CD2 C 13 23.523 0.2 . 1 . . . . 118 L CD2 . 16957 2
1239 . 1 1 114 114 LEU N N 15 117.290 0.1 . 1 . . . . 118 L N . 16957 2
1240 . 1 1 115 115 VAL H H 1 7.837 0.05 . 1 . . . . 119 V H . 16957 2
1241 . 1 1 115 115 VAL HA H 1 3.479 0.05 . 1 . . . . 119 V HA . 16957 2
1242 . 1 1 115 115 VAL HB H 1 2.311 0.05 . 1 . . . . 119 V HB . 16957 2
1243 . 1 1 115 115 VAL HG11 H 1 0.995 0.05 . 1 . . . . 119 V HG1 . 16957 2
1244 . 1 1 115 115 VAL HG12 H 1 0.995 0.05 . 1 . . . . 119 V HG1 . 16957 2
1245 . 1 1 115 115 VAL HG13 H 1 0.995 0.05 . 1 . . . . 119 V HG1 . 16957 2
1246 . 1 1 115 115 VAL HG21 H 1 0.987 0.05 . 1 . . . . 119 V HG2 . 16957 2
1247 . 1 1 115 115 VAL HG22 H 1 0.987 0.05 . 1 . . . . 119 V HG2 . 16957 2
1248 . 1 1 115 115 VAL HG23 H 1 0.987 0.05 . 1 . . . . 119 V HG2 . 16957 2
1249 . 1 1 115 115 VAL CB C 13 31.236 0.2 . 1 . . . . 119 V CB . 16957 2
1250 . 1 1 115 115 VAL CG1 C 13 21.293 0.2 . 1 . . . . 119 V CG1 . 16957 2
1251 . 1 1 115 115 VAL CG2 C 13 23.629 0.2 . 1 . . . . 119 V CG2 . 16957 2
1252 . 1 1 115 115 VAL N N 15 119.991 0.1 . 1 . . . . 119 V N . 16957 2
1253 . 1 1 116 116 ARG H H 1 7.735 0.05 . 1 . . . . 120 R H . 16957 2
1254 . 1 1 116 116 ARG HA H 1 3.935 0.05 . 1 . . . . 120 R HA . 16957 2
1255 . 1 1 116 116 ARG HB2 H 1 1.992 0.05 . 2 . . . . 120 R HB2 . 16957 2
1256 . 1 1 116 116 ARG HB3 H 1 1.872 0.05 . 2 . . . . 120 R HB3 . 16957 2
1257 . 1 1 116 116 ARG HD2 H 1 3.197 0.05 . 2 . . . . 120 R HD . 16957 2
1258 . 1 1 116 116 ARG HD3 H 1 3.197 0.05 . 2 . . . . 120 R HD . 16957 2
1259 . 1 1 116 116 ARG HG2 H 1 1.842 0.05 . 2 . . . . 120 R HG2 . 16957 2
1260 . 1 1 116 116 ARG HG3 H 1 1.631 0.05 . 2 . . . . 120 R HG3 . 16957 2
1261 . 1 1 116 116 ARG CA C 13 59.546 0.2 . 1 . . . . 120 R CA . 16957 2
1262 . 1 1 116 116 ARG CB C 13 29.686 0.2 . 1 . . . . 120 R CB . 16957 2
1263 . 1 1 116 116 ARG CD C 13 43.308 0.2 . 1 . . . . 120 R CD . 16957 2
1264 . 1 1 116 116 ARG CG C 13 27.681 0.2 . 1 . . . . 120 R CG . 16957 2
1265 . 1 1 116 116 ARG N N 15 117.815 0.1 . 1 . . . . 120 R N . 16957 2
1266 . 1 1 117 117 LEU H H 1 7.485 0.05 . 1 . . . . 121 L H . 16957 2
1267 . 1 1 117 117 LEU HA H 1 4.171 0.05 . 1 . . . . 121 L HA . 16957 2
1268 . 1 1 117 117 LEU HB2 H 1 1.970 0.05 . 2 . . . . 121 L HB2 . 16957 2
1269 . 1 1 117 117 LEU HB3 H 1 1.788 0.05 . 2 . . . . 121 L HB3 . 16957 2
1270 . 1 1 117 117 LEU HD11 H 1 0.976 0.05 . 1 . . . . 121 L HD1 . 16957 2
1271 . 1 1 117 117 LEU HD12 H 1 0.976 0.05 . 1 . . . . 121 L HD1 . 16957 2
1272 . 1 1 117 117 LEU HD13 H 1 0.976 0.05 . 1 . . . . 121 L HD1 . 16957 2
1273 . 1 1 117 117 LEU HD21 H 1 0.901 0.05 . 1 . . . . 121 L HD2 . 16957 2
1274 . 1 1 117 117 LEU HD22 H 1 0.901 0.05 . 1 . . . . 121 L HD2 . 16957 2
1275 . 1 1 117 117 LEU HD23 H 1 0.901 0.05 . 1 . . . . 121 L HD2 . 16957 2
1276 . 1 1 117 117 LEU HG H 1 1.760 0.05 . 1 . . . . 121 L HG . 16957 2
1277 . 1 1 117 117 LEU CA C 13 57.957 0.2 . 1 . . . . 121 L CA . 16957 2
1278 . 1 1 117 117 LEU CB C 13 41.532 0.2 . 1 . . . . 121 L CB . 16957 2
1279 . 1 1 117 117 LEU CD1 C 13 24.296 0.2 . 1 . . . . 121 L CD1 . 16957 2
1280 . 1 1 117 117 LEU CD2 C 13 24.869 0.2 . 1 . . . . 121 L CD2 . 16957 2
1281 . 1 1 117 117 LEU CG C 13 27.244 0.2 . 1 . . . . 121 L CG . 16957 2
1282 . 1 1 117 117 LEU N N 15 118.372 0.1 . 1 . . . . 121 L N . 16957 2
1283 . 1 1 118 118 LEU H H 1 8.114 0.05 . 1 . . . . 122 L H . 16957 2
1284 . 1 1 118 118 LEU HA H 1 3.985 0.05 . 1 . . . . 122 L HA . 16957 2
1285 . 1 1 118 118 LEU HB2 H 1 2.042 0.05 . 2 . . . . 122 L HB2 . 16957 2
1286 . 1 1 118 118 LEU HB3 H 1 1.798 0.05 . 2 . . . . 122 L HB3 . 16957 2
1287 . 1 1 118 118 LEU HD11 H 1 0.933 0.05 . 1 . . . . 122 L HD1 . 16957 2
1288 . 1 1 118 118 LEU HD12 H 1 0.933 0.05 . 1 . . . . 122 L HD1 . 16957 2
1289 . 1 1 118 118 LEU HD13 H 1 0.933 0.05 . 1 . . . . 122 L HD1 . 16957 2
1290 . 1 1 118 118 LEU HD21 H 1 0.856 0.05 . 1 . . . . 122 L HD2 . 16957 2
1291 . 1 1 118 118 LEU HD22 H 1 0.856 0.05 . 1 . . . . 122 L HD2 . 16957 2
1292 . 1 1 118 118 LEU HD23 H 1 0.856 0.05 . 1 . . . . 122 L HD2 . 16957 2
1293 . 1 1 118 118 LEU HG H 1 1.832 0.05 . 1 . . . . 122 L HG . 16957 2
1294 . 1 1 118 118 LEU CA C 13 57.444 0.2 . 1 . . . . 122 L CA . 16957 2
1295 . 1 1 118 118 LEU CB C 13 40.708 0.2 . 1 . . . . 122 L CB . 16957 2
1296 . 1 1 118 118 LEU CD1 C 13 25.454 0.2 . 1 . . . . 122 L CD1 . 16957 2
1297 . 1 1 118 118 LEU CD2 C 13 23.289 0.2 . 1 . . . . 122 L CD2 . 16957 2
1298 . 1 1 118 118 LEU CG C 13 28.116 0.2 . 1 . . . . 122 L CG . 16957 2
1299 . 1 1 118 118 LEU N N 15 120.724 0.1 . 1 . . . . 122 L N . 16957 2
1300 . 1 1 119 119 ARG H H 1 8.319 0.05 . 1 . . . . 123 R H . 16957 2
1301 . 1 1 119 119 ARG HA H 1 3.858 0.05 . 1 . . . . 123 R HA . 16957 2
1302 . 1 1 119 119 ARG HB2 H 1 1.965 0.05 . 4 . . . . 123 R HB . 16957 2
1303 . 1 1 119 119 ARG HB3 H 1 1.965 0.05 . 4 . . . . 123 R HB . 16957 2
1304 . 1 1 119 119 ARG HD2 H 1 3.350 0.05 . 2 . . . . 123 R HD2 . 16957 2
1305 . 1 1 119 119 ARG HD3 H 1 3.184 0.05 . 2 . . . . 123 R HD3 . 16957 2
1306 . 1 1 119 119 ARG HG2 H 1 2.021 0.05 . 4 . . . . 123 R HG . 16957 2
1307 . 1 1 119 119 ARG HG3 H 1 2.021 0.05 . 4 . . . . 123 R HG . 16957 2
1308 . 1 1 119 119 ARG CA C 13 59.935 0.2 . 1 . . . . 123 R CA . 16957 2
1309 . 1 1 119 119 ARG N N 15 119.190 0.1 . 1 . . . . 123 R N . 16957 2
1310 . 1 1 120 120 PHE H H 1 8.044 0.05 . 1 . . . . 124 F H . 16957 2
1311 . 1 1 120 120 PHE HA H 1 4.370 0.05 . 1 . . . . 124 F HA . 16957 2
1312 . 1 1 120 120 PHE HB2 H 1 3.312 0.05 . 2 . . . . 124 F HB . 16957 2
1313 . 1 1 120 120 PHE HB3 H 1 3.312 0.05 . 2 . . . . 124 F HB . 16957 2
1314 . 1 1 120 120 PHE HD1 H 1 7.148 0.05 . 3 . . . . 124 F HD . 16957 2
1315 . 1 1 120 120 PHE HD2 H 1 7.148 0.05 . 3 . . . . 124 F HD . 16957 2
1316 . 1 1 120 120 PHE HE1 H 1 7.092 0.05 . 3 . . . . 124 F HE . 16957 2
1317 . 1 1 120 120 PHE HE2 H 1 7.092 0.05 . 3 . . . . 124 F HE . 16957 2
1318 . 1 1 120 120 PHE CA C 13 60.544 0.2 . 1 . . . . 124 F CA . 16957 2
1319 . 1 1 120 120 PHE CB C 13 38.583 0.2 . 1 . . . . 124 F CB . 16957 2
1320 . 1 1 120 120 PHE CD1 C 13 132.046 0.2 . 3 . . . . 124 F CD . 16957 2
1321 . 1 1 120 120 PHE CD2 C 13 132.046 0.2 . 3 . . . . 124 F CD . 16957 2
1322 . 1 1 120 120 PHE CE1 C 13 131.166 0.2 . 3 . . . . 124 F CE . 16957 2
1323 . 1 1 120 120 PHE CE2 C 13 131.166 0.2 . 3 . . . . 124 F CE . 16957 2
1324 . 1 1 120 120 PHE N N 15 119.309 0.1 . 1 . . . . 124 F N . 16957 2
1325 . 1 1 121 121 LEU H H 1 8.367 0.05 . 1 . . . . 125 L H . 16957 2
1326 . 1 1 121 121 LEU HA H 1 3.861 0.05 . 1 . . . . 125 L HA . 16957 2
1327 . 1 1 121 121 LEU HB2 H 1 2.027 0.05 . 2 . . . . 125 L HB2 . 16957 2
1328 . 1 1 121 121 LEU HB3 H 1 1.639 0.05 . 2 . . . . 125 L HB3 . 16957 2
1329 . 1 1 121 121 LEU HD11 H 1 0.885 0.05 . 1 . . . . 125 L HD1 . 16957 2
1330 . 1 1 121 121 LEU HD12 H 1 0.885 0.05 . 1 . . . . 125 L HD1 . 16957 2
1331 . 1 1 121 121 LEU HD13 H 1 0.885 0.05 . 1 . . . . 125 L HD1 . 16957 2
1332 . 1 1 121 121 LEU HD21 H 1 0.856 0.05 . 1 . . . . 125 L HD2 . 16957 2
1333 . 1 1 121 121 LEU HD22 H 1 0.856 0.05 . 1 . . . . 125 L HD2 . 16957 2
1334 . 1 1 121 121 LEU HD23 H 1 0.856 0.05 . 1 . . . . 125 L HD2 . 16957 2
1335 . 1 1 121 121 LEU HG H 1 1.624 0.05 . 1 . . . . 125 L HG . 16957 2
1336 . 1 1 121 121 LEU CB C 13 41.394 0.2 . 1 . . . . 125 L CB . 16957 2
1337 . 1 1 121 121 LEU CD1 C 13 24.349 0.2 . 1 . . . . 125 L CD1 . 16957 2
1338 . 1 1 121 121 LEU CD2 C 13 25.869 0.2 . 1 . . . . 125 L CD2 . 16957 2
1339 . 1 1 121 121 LEU N N 15 118.304 0.1 . 1 . . . . 125 L N . 16957 2
1340 . 1 1 122 122 ARG H H 1 8.122 0.05 . 1 . . . . 126 R H . 16957 2
1341 . 1 1 122 122 ARG HA H 1 3.888 0.05 . 1 . . . . 126 R HA . 16957 2
1342 . 1 1 122 122 ARG HB2 H 1 1.877 0.05 . 4 . . . . 126 R HB . 16957 2
1343 . 1 1 122 122 ARG HB3 H 1 1.877 0.05 . 4 . . . . 126 R HB . 16957 2
1344 . 1 1 122 122 ARG HD2 H 1 3.204 0.05 . 2 . . . . 126 R HD . 16957 2
1345 . 1 1 122 122 ARG HD3 H 1 3.204 0.05 . 2 . . . . 126 R HD . 16957 2
1346 . 1 1 122 122 ARG N N 15 118.229 0.1 . 1 . . . . 126 R N . 16957 2
1347 . 1 1 123 123 ILE H H 1 7.743 0.05 . 1 . . . . 127 I H . 16957 2
1348 . 1 1 123 123 ILE HA H 1 3.587 0.05 . 1 . . . . 127 I HA . 16957 2
1349 . 1 1 123 123 ILE HB H 1 1.980 0.05 . 1 . . . . 127 I HB . 16957 2
1350 . 1 1 123 123 ILE HD11 H 1 0.765 0.05 . 1 . . . . 127 I HD1 . 16957 2
1351 . 1 1 123 123 ILE HD12 H 1 0.765 0.05 . 1 . . . . 127 I HD1 . 16957 2
1352 . 1 1 123 123 ILE HD13 H 1 0.765 0.05 . 1 . . . . 127 I HD1 . 16957 2
1353 . 1 1 123 123 ILE HG12 H 1 1.677 0.05 . 2 . . . . 127 I HG12 . 16957 2
1354 . 1 1 123 123 ILE HG13 H 1 1.064 0.05 . 2 . . . . 127 I HG13 . 16957 2
1355 . 1 1 123 123 ILE HG21 H 1 0.885 0.05 . 1 . . . . 127 I HG2 . 16957 2
1356 . 1 1 123 123 ILE HG22 H 1 0.885 0.05 . 1 . . . . 127 I HG2 . 16957 2
1357 . 1 1 123 123 ILE HG23 H 1 0.885 0.05 . 1 . . . . 127 I HG2 . 16957 2
1358 . 1 1 123 123 ILE CA C 13 64.505 0.2 . 1 . . . . 127 I CA . 16957 2
1359 . 1 1 123 123 ILE CB C 13 36.818 0.2 . 1 . . . . 127 I CB . 16957 2
1360 . 1 1 123 123 ILE CD1 C 13 12.685 0.2 . 1 . . . . 127 I CD1 . 16957 2
1361 . 1 1 123 123 ILE CG1 C 13 28.967 0.2 . 1 . . . . 127 I CG1 . 16957 2
1362 . 1 1 123 123 ILE CG2 C 13 17.009 0.2 . 1 . . . . 127 I CG2 . 16957 2
1363 . 1 1 123 123 ILE N N 15 118.121 0.1 . 1 . . . . 127 I N . 16957 2
1364 . 1 1 124 124 LEU H H 1 7.511 0.05 . 1 . . . . 128 L H . 16957 2
1365 . 1 1 124 124 LEU HA H 1 3.893 0.05 . 1 . . . . 128 L HA . 16957 2
1366 . 1 1 124 124 LEU HD21 H 1 0.840 0.05 . 2 . . . . 128 L HD2 . 16957 2
1367 . 1 1 124 124 LEU HD22 H 1 0.840 0.05 . 2 . . . . 128 L HD2 . 16957 2
1368 . 1 1 124 124 LEU HD23 H 1 0.840 0.05 . 2 . . . . 128 L HD2 . 16957 2
1369 . 1 1 124 124 LEU HG H 1 1.835 0.05 . 1 . . . . 128 L HG . 16957 2
1370 . 1 1 124 124 LEU CD2 C 13 23.349 0.2 . 2 . . . . 128 L CD2 . 16957 2
1371 . 1 1 124 124 LEU CG C 13 27.992 0.2 . 1 . . . . 128 L CG . 16957 2
1372 . 1 1 124 124 LEU N N 15 118.388 0.1 . 1 . . . . 128 L N . 16957 2
1373 . 1 1 125 125 LEU H H 1 8.115 0.05 . 1 . . . . 129 L H . 16957 2
1374 . 1 1 125 125 LEU HA H 1 3.842 0.05 . 1 . . . . 129 L HA . 16957 2
1375 . 1 1 125 125 LEU HB2 H 1 1.916 0.05 . 2 . . . . 129 L HB . 16957 2
1376 . 1 1 125 125 LEU HB3 H 1 1.916 0.05 . 2 . . . . 129 L HB . 16957 2
1377 . 1 1 125 125 LEU HD11 H 1 0.937 0.05 . 2 . . . . 129 L HD1 . 16957 2
1378 . 1 1 125 125 LEU HD12 H 1 0.937 0.05 . 2 . . . . 129 L HD1 . 16957 2
1379 . 1 1 125 125 LEU HD13 H 1 0.937 0.05 . 2 . . . . 129 L HD1 . 16957 2
1380 . 1 1 125 125 LEU HG H 1 1.811 0.05 . 1 . . . . 129 L HG . 16957 2
1381 . 1 1 125 125 LEU CD1 C 13 26.137 0.2 . 2 . . . . 129 L CD1 . 16957 2
1382 . 1 1 125 125 LEU N N 15 120.876 0.1 . 1 . . . . 129 L N . 16957 2
1383 . 1 1 126 126 ILE H H 1 8.076 0.05 . 1 . . . . 130 I H . 16957 2
1384 . 1 1 126 126 ILE HA H 1 3.591 0.05 . 1 . . . . 130 I HA . 16957 2
1385 . 1 1 126 126 ILE HB H 1 1.976 0.05 . 1 . . . . 130 I HB . 16957 2
1386 . 1 1 126 126 ILE HD11 H 1 0.732 0.05 . 1 . . . . 130 I HD1 . 16957 2
1387 . 1 1 126 126 ILE HD12 H 1 0.732 0.05 . 1 . . . . 130 I HD1 . 16957 2
1388 . 1 1 126 126 ILE HD13 H 1 0.732 0.05 . 1 . . . . 130 I HD1 . 16957 2
1389 . 1 1 126 126 ILE HG12 H 1 1.808 0.05 . 2 . . . . 130 I HG12 . 16957 2
1390 . 1 1 126 126 ILE HG13 H 1 1.036 0.05 . 2 . . . . 130 I HG13 . 16957 2
1391 . 1 1 126 126 ILE HG21 H 1 0.824 0.05 . 1 . . . . 130 I HG2 . 16957 2
1392 . 1 1 126 126 ILE HG22 H 1 0.824 0.05 . 1 . . . . 130 I HG2 . 16957 2
1393 . 1 1 126 126 ILE HG23 H 1 0.824 0.05 . 1 . . . . 130 I HG2 . 16957 2
1394 . 1 1 126 126 ILE CB C 13 37.860 0.2 . 1 . . . . 130 I CB . 16957 2
1395 . 1 1 126 126 ILE CD1 C 13 13.766 0.2 . 1 . . . . 130 I CD1 . 16957 2
1396 . 1 1 126 126 ILE CG1 C 13 28.927 0.2 . 1 . . . . 130 I CG1 . 16957 2
1397 . 1 1 126 126 ILE CG2 C 13 17.183 0.2 . 1 . . . . 130 I CG2 . 16957 2
1398 . 1 1 126 126 ILE N N 15 119.344 0.1 . 1 . . . . 130 I N . 16957 2
1399 . 1 1 127 127 ILE H H 1 8.118 0.05 . 1 . . . . 131 I H . 16957 2
1400 . 1 1 127 127 ILE HA H 1 3.635 0.05 . 1 . . . . 131 I HA . 16957 2
1401 . 1 1 127 127 ILE HB H 1 1.865 0.05 . 1 . . . . 131 I HB . 16957 2
1402 . 1 1 127 127 ILE HD11 H 1 0.748 0.05 . 1 . . . . 131 I HD1 . 16957 2
1403 . 1 1 127 127 ILE HD12 H 1 0.748 0.05 . 1 . . . . 131 I HD1 . 16957 2
1404 . 1 1 127 127 ILE HD13 H 1 0.748 0.05 . 1 . . . . 131 I HD1 . 16957 2
1405 . 1 1 127 127 ILE HG12 H 1 1.866 0.05 . 2 . . . . 131 I HG12 . 16957 2
1406 . 1 1 127 127 ILE HG13 H 1 1.028 0.05 . 2 . . . . 131 I HG13 . 16957 2
1407 . 1 1 127 127 ILE HG21 H 1 0.867 0.05 . 1 . . . . 131 I HG2 . 16957 2
1408 . 1 1 127 127 ILE HG22 H 1 0.867 0.05 . 1 . . . . 131 I HG2 . 16957 2
1409 . 1 1 127 127 ILE HG23 H 1 0.867 0.05 . 1 . . . . 131 I HG2 . 16957 2
1410 . 1 1 127 127 ILE CA C 13 65.189 0.2 . 1 . . . . 131 I CA . 16957 2
1411 . 1 1 127 127 ILE CB C 13 37.652 0.2 . 1 . . . . 131 I CB . 16957 2
1412 . 1 1 127 127 ILE CD1 C 13 13.241 0.2 . 1 . . . . 131 I CD1 . 16957 2
1413 . 1 1 127 127 ILE CG1 C 13 29.668 0.2 . 1 . . . . 131 I CG1 . 16957 2
1414 . 1 1 127 127 ILE CG2 C 13 17.215 0.2 . 1 . . . . 131 I CG2 . 16957 2
1415 . 1 1 127 127 ILE N N 15 119.310 0.1 . 1 . . . . 131 I N . 16957 2
1416 . 1 1 128 128 SER H H 1 8.611 0.05 . 1 . . . . 132 S H . 16957 2
1417 . 1 1 128 128 SER HA H 1 3.866 0.05 . 1 . . . . 132 S HA . 16957 2
1418 . 1 1 128 128 SER HB2 H 1 4.167 0.05 . 2 . . . . 132 S HB . 16957 2
1419 . 1 1 128 128 SER HB3 H 1 4.167 0.05 . 2 . . . . 132 S HB . 16957 2
1420 . 1 1 128 128 SER CB C 13 62.023 0.2 . 1 . . . . 132 S CB . 16957 2
1421 . 1 1 128 128 SER N N 15 115.713 0.1 . 1 . . . . 132 S N . 16957 2
1422 . 1 1 129 129 ARG H H 1 8.741 0.05 . 1 . . . . 133 R H . 16957 2
1423 . 1 1 129 129 ARG HA H 1 4.055 0.05 . 1 . . . . 133 R HA . 16957 2
1424 . 1 1 129 129 ARG HB2 H 1 1.993 0.05 . 2 . . . . 133 R HB2 . 16957 2
1425 . 1 1 129 129 ARG HB3 H 1 1.894 0.05 . 2 . . . . 133 R HB3 . 16957 2
1426 . 1 1 129 129 ARG HD2 H 1 3.146 0.05 . 2 . . . . 133 R HD . 16957 2
1427 . 1 1 129 129 ARG HD3 H 1 3.146 0.05 . 2 . . . . 133 R HD . 16957 2
1428 . 1 1 129 129 ARG HG2 H 1 1.714 0.05 . 2 . . . . 133 R HG . 16957 2
1429 . 1 1 129 129 ARG HG3 H 1 1.714 0.05 . 2 . . . . 133 R HG . 16957 2
1430 . 1 1 129 129 ARG CB C 13 29.681 0.2 . 1 . . . . 133 R CB . 16957 2
1431 . 1 1 129 129 ARG CD C 13 43.073 0.2 . 1 . . . . 133 R CD . 16957 2
1432 . 1 1 129 129 ARG N N 15 120.374 0.1 . 1 . . . . 133 R N . 16957 2
1433 . 1 1 130 130 GLY H H 1 8.711 0.05 . 1 . . . . 134 G H . 16957 2
1434 . 1 1 130 130 GLY HA2 H 1 3.633 0.05 . 2 . . . . 134 G HA2 . 16957 2
1435 . 1 1 130 130 GLY HA3 H 1 3.745 0.05 . 2 . . . . 134 G HA3 . 16957 2
1436 . 1 1 130 130 GLY CA C 13 47.356 0.2 . 1 . . . . 134 G CA . 16957 2
1437 . 1 1 130 130 GLY N N 15 107.293 0.1 . 1 . . . . 134 G N . 16957 2
1438 . 1 1 131 131 SER H H 1 8.552 0.05 . 1 . . . . 135 S H . 16957 2
1439 . 1 1 131 131 SER HA H 1 4.028 0.05 . 1 . . . . 135 S HA . 16957 2
1440 . 1 1 131 131 SER HB2 H 1 4.191 0.05 . 2 . . . . 135 S HB . 16957 2
1441 . 1 1 131 131 SER HB3 H 1 4.191 0.05 . 2 . . . . 135 S HB . 16957 2
1442 . 1 1 131 131 SER CA C 13 62.727 0.2 . 1 . . . . 135 S CA . 16957 2
1443 . 1 1 131 131 SER CB C 13 62.251 0.2 . 1 . . . . 135 S CB . 16957 2
1444 . 1 1 131 131 SER N N 15 117.441 0.1 . 1 . . . . 135 S N . 16957 2
1445 . 1 1 132 132 LYS H H 1 8.097 0.05 . 1 . . . . 136 K H . 16957 2
1446 . 1 1 132 132 LYS HA H 1 4.023 0.05 . 1 . . . . 136 K HA . 16957 2
1447 . 1 1 132 132 LYS HB2 H 1 1.988 0.05 . 2 . . . . 136 K HB . 16957 2
1448 . 1 1 132 132 LYS HB3 H 1 1.988 0.05 . 2 . . . . 136 K HB . 16957 2
1449 . 1 1 132 132 LYS HD2 H 1 1.763 0.05 . 2 . . . . 136 K HD2 . 16957 2
1450 . 1 1 132 132 LYS HD3 H 1 1.667 0.05 . 2 . . . . 136 K HD3 . 16957 2
1451 . 1 1 132 132 LYS HE2 H 1 2.860 0.05 . 2 . . . . 136 K HE . 16957 2
1452 . 1 1 132 132 LYS HE3 H 1 2.860 0.05 . 2 . . . . 136 K HE . 16957 2
1453 . 1 1 132 132 LYS HG2 H 1 1.552 0.05 . 2 . . . . 136 K HG2 . 16957 2
1454 . 1 1 132 132 LYS HG3 H 1 1.468 0.05 . 2 . . . . 136 K HG3 . 16957 2
1455 . 1 1 132 132 LYS CD C 13 28.340 0.2 . 1 . . . . 136 K CD . 16957 2
1456 . 1 1 132 132 LYS CE C 13 41.692 0.2 . 1 . . . . 136 K CE . 16957 2
1457 . 1 1 132 132 LYS CG C 13 24.167 0.2 . 1 . . . . 136 K CG . 16957 2
1458 . 1 1 132 132 LYS N N 15 122.200 0.1 . 1 . . . . 136 K N . 16957 2
1459 . 1 1 133 133 PHE H H 1 7.990 0.05 . 1 . . . . 137 F H . 16957 2
1460 . 1 1 133 133 PHE HA H 1 4.344 0.05 . 1 . . . . 137 F HA . 16957 2
1461 . 1 1 133 133 PHE HB2 H 1 3.303 0.05 . 2 . . . . 137 F HB2 . 16957 2
1462 . 1 1 133 133 PHE HB3 H 1 3.149 0.05 . 2 . . . . 137 F HB3 . 16957 2
1463 . 1 1 133 133 PHE HD1 H 1 7.316 0.05 . 3 . . . . 137 F HD . 16957 2
1464 . 1 1 133 133 PHE HD2 H 1 7.316 0.05 . 3 . . . . 137 F HD . 16957 2
1465 . 1 1 133 133 PHE HE1 H 1 7.104 0.05 . 3 . . . . 137 F HE . 16957 2
1466 . 1 1 133 133 PHE HE2 H 1 7.104 0.05 . 3 . . . . 137 F HE . 16957 2
1467 . 1 1 133 133 PHE HZ H 1 7.042 0.05 . 1 . . . . 137 F HZ . 16957 2
1468 . 1 1 133 133 PHE CA C 13 60.493 0.2 . 1 . . . . 137 F CA . 16957 2
1469 . 1 1 133 133 PHE CD1 C 13 132.812 0.2 . 3 . . . . 137 F CD . 16957 2
1470 . 1 1 133 133 PHE CD2 C 13 132.812 0.2 . 3 . . . . 137 F CD . 16957 2
1471 . 1 1 133 133 PHE CE1 C 13 131.366 0.2 . 3 . . . . 137 F CE . 16957 2
1472 . 1 1 133 133 PHE CE2 C 13 131.366 0.2 . 3 . . . . 137 F CE . 16957 2
1473 . 1 1 133 133 PHE CZ C 13 129.419 0.2 . 1 . . . . 137 F CZ . 16957 2
1474 . 1 1 133 133 PHE N N 15 118.983 0.1 . 1 . . . . 137 F N . 16957 2
1475 . 1 1 134 134 LEU H H 1 7.930 0.05 . 1 . . . . 138 L H . 16957 2
1476 . 1 1 134 134 LEU HA H 1 3.637 0.05 . 1 . . . . 138 L HA . 16957 2
1477 . 1 1 134 134 LEU HB2 H 1 1.900 0.05 . 2 . . . . 138 L HB2 . 16957 2
1478 . 1 1 134 134 LEU HB3 H 1 1.467 0.05 . 2 . . . . 138 L HB3 . 16957 2
1479 . 1 1 134 134 LEU HD11 H 1 0.886 0.05 . 1 . . . . 138 L HD1 . 16957 2
1480 . 1 1 134 134 LEU HD12 H 1 0.886 0.05 . 1 . . . . 138 L HD1 . 16957 2
1481 . 1 1 134 134 LEU HD13 H 1 0.886 0.05 . 1 . . . . 138 L HD1 . 16957 2
1482 . 1 1 134 134 LEU HD21 H 1 0.811 0.05 . 1 . . . . 138 L HD2 . 16957 2
1483 . 1 1 134 134 LEU HD22 H 1 0.811 0.05 . 1 . . . . 138 L HD2 . 16957 2
1484 . 1 1 134 134 LEU HD23 H 1 0.811 0.05 . 1 . . . . 138 L HD2 . 16957 2
1485 . 1 1 134 134 LEU HG H 1 1.631 0.05 . 1 . . . . 138 L HG . 16957 2
1486 . 1 1 134 134 LEU CB C 13 41.392 0.2 . 1 . . . . 138 L CB . 16957 2
1487 . 1 1 134 134 LEU CD1 C 13 25.472 0.2 . 1 . . . . 138 L CD1 . 16957 2
1488 . 1 1 134 134 LEU CD2 C 13 23.111 0.2 . 1 . . . . 138 L CD2 . 16957 2
1489 . 1 1 134 134 LEU N N 15 118.078 0.1 . 1 . . . . 138 L N . 16957 2
1490 . 1 1 135 135 SER H H 1 8.342 0.05 . 1 . . . . 139 S H . 16957 2
1491 . 1 1 135 135 SER HA H 1 4.104 0.05 . 1 . . . . 139 S HA . 16957 2
1492 . 1 1 135 135 SER HB2 H 1 3.989 0.05 . 2 . . . . 139 S HB2 . 16957 2
1493 . 1 1 135 135 SER HB3 H 1 3.950 0.05 . 2 . . . . 139 S HB3 . 16957 2
1494 . 1 1 135 135 SER CA C 13 61.362 0.2 . 1 . . . . 139 S CA . 16957 2
1495 . 1 1 135 135 SER CB C 13 62.785 0.2 . 1 . . . . 139 S CB . 16957 2
1496 . 1 1 135 135 SER N N 15 113.914 0.1 . 1 . . . . 139 S N . 16957 2
1497 . 1 1 136 136 ALA H H 1 8.041 0.05 . 1 . . . . 140 A H . 16957 2
1498 . 1 1 136 136 ALA HA H 1 4.231 0.05 . 1 . . . . 140 A HA . 16957 2
1499 . 1 1 136 136 ALA HB1 H 1 1.480 0.05 . 1 . . . . 140 A HB . 16957 2
1500 . 1 1 136 136 ALA HB2 H 1 1.480 0.05 . 1 . . . . 140 A HB . 16957 2
1501 . 1 1 136 136 ALA HB3 H 1 1.480 0.05 . 1 . . . . 140 A HB . 16957 2
1502 . 1 1 136 136 ALA CA C 13 54.726 0.2 . 1 . . . . 140 A CA . 16957 2
1503 . 1 1 136 136 ALA CB C 13 17.927 0.2 . 1 . . . . 140 A CB . 16957 2
1504 . 1 1 136 136 ALA N N 15 124.117 0.1 . 1 . . . . 140 A N . 16957 2
1505 . 1 1 137 137 ILE H H 1 7.931 0.05 . 1 . . . . 141 I H . 16957 2
1506 . 1 1 137 137 ILE HA H 1 3.936 0.05 . 1 . . . . 141 I HA . 16957 2
1507 . 1 1 137 137 ILE HB H 1 1.700 0.05 . 1 . . . . 141 I HB . 16957 2
1508 . 1 1 137 137 ILE HD11 H 1 0.676 0.05 . 1 . . . . 141 I HD1 . 16957 2
1509 . 1 1 137 137 ILE HD12 H 1 0.676 0.05 . 1 . . . . 141 I HD1 . 16957 2
1510 . 1 1 137 137 ILE HD13 H 1 0.676 0.05 . 1 . . . . 141 I HD1 . 16957 2
1511 . 1 1 137 137 ILE HG12 H 1 1.285 0.05 . 2 . . . . 141 I HG12 . 16957 2
1512 . 1 1 137 137 ILE HG13 H 1 1.079 0.05 . 2 . . . . 141 I HG13 . 16957 2
1513 . 1 1 137 137 ILE HG21 H 1 0.692 0.05 . 1 . . . . 141 I HG2 . 16957 2
1514 . 1 1 137 137 ILE HG22 H 1 0.692 0.05 . 1 . . . . 141 I HG2 . 16957 2
1515 . 1 1 137 137 ILE HG23 H 1 0.692 0.05 . 1 . . . . 141 I HG2 . 16957 2
1516 . 1 1 137 137 ILE CA C 13 62.741 0.2 . 1 . . . . 141 I CA . 16957 2
1517 . 1 1 137 137 ILE CB C 13 37.000 0.2 . 1 . . . . 141 I CB . 16957 2
1518 . 1 1 137 137 ILE CD1 C 13 12.999 0.2 . 1 . . . . 141 I CD1 . 16957 2
1519 . 1 1 137 137 ILE CG1 C 13 28.351 0.2 . 1 . . . . 141 I CG1 . 16957 2
1520 . 1 1 137 137 ILE CG2 C 13 17.863 0.2 . 1 . . . . 141 I CG2 . 16957 2
1521 . 1 1 137 137 ILE N N 15 116.868 0.1 . 1 . . . . 141 I N . 16957 2
1522 . 1 1 138 138 ALA H H 1 7.722 0.05 . 1 . . . . 142 A H . 16957 2
1523 . 1 1 138 138 ALA HA H 1 3.997 0.05 . 1 . . . . 142 A HA . 16957 2
1524 . 1 1 138 138 ALA HB1 H 1 1.473 0.05 . 1 . . . . 142 A HB . 16957 2
1525 . 1 1 138 138 ALA HB2 H 1 1.473 0.05 . 1 . . . . 142 A HB . 16957 2
1526 . 1 1 138 138 ALA HB3 H 1 1.473 0.05 . 1 . . . . 142 A HB . 16957 2
1527 . 1 1 138 138 ALA CA C 13 55.065 0.2 . 1 . . . . 142 A CA . 16957 2
1528 . 1 1 138 138 ALA N N 15 123.760 0.1 . 1 . . . . 142 A N . 16957 2
1529 . 1 1 139 139 ASP H H 1 7.905 0.05 . 1 . . . . 143 D H . 16957 2
1530 . 1 1 139 139 ASP HA H 1 4.458 0.05 . 1 . . . . 143 D HA . 16957 2
1531 . 1 1 139 139 ASP HB2 H 1 2.777 0.05 . 2 . . . . 143 D HB2 . 16957 2
1532 . 1 1 139 139 ASP HB3 H 1 2.707 0.05 . 2 . . . . 143 D HB3 . 16957 2
1533 . 1 1 139 139 ASP CA C 13 56.565 0.2 . 1 . . . . 143 D CA . 16957 2
1534 . 1 1 139 139 ASP CB C 13 41.360 0.2 . 1 . . . . 143 D CB . 16957 2
1535 . 1 1 139 139 ASP N N 15 117.944 0.1 . 1 . . . . 143 D N . 16957 2
1536 . 1 1 140 140 ALA H H 1 7.977 0.05 . 1 . . . . 144 A H . 16957 2
1537 . 1 1 140 140 ALA HA H 1 4.079 0.05 . 1 . . . . 144 A HA . 16957 2
1538 . 1 1 140 140 ALA HB1 H 1 1.406 0.05 . 1 . . . . 144 A HB . 16957 2
1539 . 1 1 140 140 ALA HB2 H 1 1.406 0.05 . 1 . . . . 144 A HB . 16957 2
1540 . 1 1 140 140 ALA HB3 H 1 1.406 0.05 . 1 . . . . 144 A HB . 16957 2
1541 . 1 1 140 140 ALA CA C 13 54.328 0.2 . 1 . . . . 144 A CA . 16957 2
1542 . 1 1 140 140 ALA CB C 13 18.191 0.2 . 1 . . . . 144 A CB . 16957 2
1543 . 1 1 140 140 ALA N N 15 121.103 0.1 . 1 . . . . 144 A N . 16957 2
1544 . 1 1 141 141 ALA H H 1 8.330 0.05 . 1 . . . . 145 A H . 16957 2
1545 . 1 1 141 141 ALA HA H 1 3.944 0.05 . 1 . . . . 145 A HA . 16957 2
1546 . 1 1 141 141 ALA HB1 H 1 1.456 0.05 . 1 . . . . 145 A HB . 16957 2
1547 . 1 1 141 141 ALA HB2 H 1 1.456 0.05 . 1 . . . . 145 A HB . 16957 2
1548 . 1 1 141 141 ALA HB3 H 1 1.456 0.05 . 1 . . . . 145 A HB . 16957 2
1549 . 1 1 141 141 ALA CA C 13 54.988 0.2 . 1 . . . . 145 A CA . 16957 2
1550 . 1 1 141 141 ALA CB C 13 18.131 0.2 . 1 . . . . 145 A CB . 16957 2
1551 . 1 1 141 141 ALA N N 15 119.350 0.1 . 1 . . . . 145 A N . 16957 2
1552 . 1 1 142 142 ASP H H 1 7.816 0.05 . 1 . . . . 146 D H . 16957 2
1553 . 1 1 142 142 ASP HA H 1 4.439 0.05 . 1 . . . . 146 D HA . 16957 2
1554 . 1 1 142 142 ASP HB2 H 1 2.789 0.05 . 2 . . . . 146 D HB2 . 16957 2
1555 . 1 1 142 142 ASP HB3 H 1 2.745 0.05 . 2 . . . . 146 D HB3 . 16957 2
1556 . 1 1 142 142 ASP CA C 13 56.353 0.2 . 1 . . . . 146 D CA . 16957 2
1557 . 1 1 142 142 ASP CB C 13 41.133 0.2 . 1 . . . . 146 D CB . 16957 2
1558 . 1 1 142 142 ASP N N 15 116.321 0.1 . 1 . . . . 146 D N . 16957 2
1559 . 1 1 143 143 LYS H H 1 7.604 0.05 . 1 . . . . 147 K H . 16957 2
1560 . 1 1 143 143 LYS HA H 1 4.231 0.05 . 1 . . . . 147 K HA . 16957 2
1561 . 1 1 143 143 LYS HB2 H 1 1.901 0.05 . 2 . . . . 147 K HB2 . 16957 2
1562 . 1 1 143 143 LYS HB3 H 1 1.842 0.05 . 2 . . . . 147 K HB3 . 16957 2
1563 . 1 1 143 143 LYS HD2 H 1 1.654 0.05 . 2 . . . . 147 K HD2 . 16957 2
1564 . 1 1 143 143 LYS HD3 H 1 1.606 0.05 . 2 . . . . 147 K HD3 . 16957 2
1565 . 1 1 143 143 LYS HE2 H 1 2.993 0.05 . 2 . . . . 147 K HE . 16957 2
1566 . 1 1 143 143 LYS HE3 H 1 2.993 0.05 . 2 . . . . 147 K HE . 16957 2
1567 . 1 1 143 143 LYS HG2 H 1 1.589 0.05 . 2 . . . . 147 K HG2 . 16957 2
1568 . 1 1 143 143 LYS HG3 H 1 1.509 0.05 . 2 . . . . 147 K HG3 . 16957 2
1569 . 1 1 143 143 LYS CA C 13 56.976 0.2 . 1 . . . . 147 K CA . 16957 2
1570 . 1 1 143 143 LYS CB C 13 33.095 0.2 . 1 . . . . 147 K CB . 16957 2
1571 . 1 1 143 143 LYS CD C 13 28.739 0.2 . 1 . . . . 147 K CD . 16957 2
1572 . 1 1 143 143 LYS CE C 13 41.941 0.2 . 1 . . . . 147 K CE . 16957 2
1573 . 1 1 143 143 LYS CG C 13 25.357 0.2 . 1 . . . . 147 K CG . 16957 2
1574 . 1 1 143 143 LYS N N 15 116.140 0.1 . 1 . . . . 147 K N . 16957 2
1575 . 1 1 144 144 LEU H H 1 7.784 0.05 . 1 . . . . 148 L H . 16957 2
1576 . 1 1 144 144 LEU HA H 1 4.303 0.05 . 1 . . . . 148 L HA . 16957 2
1577 . 1 1 144 144 LEU HB2 H 1 1.760 0.05 . 2 . . . . 148 L HB2 . 16957 2
1578 . 1 1 144 144 LEU HB3 H 1 1.578 0.05 . 2 . . . . 148 L HB3 . 16957 2
1579 . 1 1 144 144 LEU HD11 H 1 0.859 0.05 . 1 . . . . 148 L HD1 . 16957 2
1580 . 1 1 144 144 LEU HD12 H 1 0.859 0.05 . 1 . . . . 148 L HD1 . 16957 2
1581 . 1 1 144 144 LEU HD13 H 1 0.859 0.05 . 1 . . . . 148 L HD1 . 16957 2
1582 . 1 1 144 144 LEU HD21 H 1 0.853 0.05 . 1 . . . . 148 L HD2 . 16957 2
1583 . 1 1 144 144 LEU HD22 H 1 0.853 0.05 . 1 . . . . 148 L HD2 . 16957 2
1584 . 1 1 144 144 LEU HD23 H 1 0.853 0.05 . 1 . . . . 148 L HD2 . 16957 2
1585 . 1 1 144 144 LEU HG H 1 1.753 0.05 . 1 . . . . 148 L HG . 16957 2
1586 . 1 1 144 144 LEU CA C 13 55.469 0.2 . 1 . . . . 148 L CA . 16957 2
1587 . 1 1 144 144 LEU CB C 13 43.257 0.2 . 1 . . . . 148 L CB . 16957 2
1588 . 1 1 144 144 LEU CD1 C 13 25.546 0.2 . 1 . . . . 148 L CD1 . 16957 2
1589 . 1 1 144 144 LEU CD2 C 13 23.289 0.2 . 1 . . . . 148 L CD2 . 16957 2
1590 . 1 1 144 144 LEU CG C 13 26.870 0.2 . 1 . . . . 148 L CG . 16957 2
1591 . 1 1 144 144 LEU N N 15 118.599 0.1 . 1 . . . . 148 L N . 16957 2
1592 . 1 1 145 145 VAL H H 1 7.618 0.05 . 1 . . . . 149 V H . 16957 2
1593 . 1 1 145 145 VAL HA H 1 4.327 0.05 . 1 . . . . 149 V HA . 16957 2
1594 . 1 1 145 145 VAL HB H 1 2.141 0.05 . 1 . . . . 149 V HB . 16957 2
1595 . 1 1 145 145 VAL HG11 H 1 0.960 0.05 . 1 . . . . 149 V HG1 . 16957 2
1596 . 1 1 145 145 VAL HG12 H 1 0.960 0.05 . 1 . . . . 149 V HG1 . 16957 2
1597 . 1 1 145 145 VAL HG13 H 1 0.960 0.05 . 1 . . . . 149 V HG1 . 16957 2
1598 . 1 1 145 145 VAL HG21 H 1 0.969 0.05 . 1 . . . . 149 V HG2 . 16957 2
1599 . 1 1 145 145 VAL HG22 H 1 0.969 0.05 . 1 . . . . 149 V HG2 . 16957 2
1600 . 1 1 145 145 VAL HG23 H 1 0.969 0.05 . 1 . . . . 149 V HG2 . 16957 2
1601 . 1 1 145 145 VAL CA C 13 59.881 0.2 . 1 . . . . 149 V CA . 16957 2
1602 . 1 1 145 145 VAL CB C 13 32.352 0.2 . 1 . . . . 149 V CB . 16957 2
1603 . 1 1 145 145 VAL CG1 C 13 21.171 0.2 . 1 . . . . 149 V CG1 . 16957 2
1604 . 1 1 145 145 VAL CG2 C 13 20.912 0.2 . 1 . . . . 149 V CG2 . 16957 2
1605 . 1 1 145 145 VAL N N 15 119.279 0.1 . 1 . . . . 149 V N . 16957 2
1606 . 1 1 146 146 PRO HA H 1 4.426 0.05 . 1 . . . . 150 P HA . 16957 2
1607 . 1 1 146 146 PRO HB2 H 1 2.256 0.05 . 2 . . . . 150 P HB2 . 16957 2
1608 . 1 1 146 146 PRO HB3 H 1 1.944 0.05 . 2 . . . . 150 P HB3 . 16957 2
1609 . 1 1 146 146 PRO HD2 H 1 3.849 0.05 . 2 . . . . 150 P HD2 . 16957 2
1610 . 1 1 146 146 PRO HD3 H 1 3.638 0.05 . 2 . . . . 150 P HD3 . 16957 2
1611 . 1 1 146 146 PRO HG2 H 1 2.060 0.05 . 2 . . . . 150 P HG2 . 16957 2
1612 . 1 1 146 146 PRO HG3 H 1 1.947 0.05 . 2 . . . . 150 P HG3 . 16957 2
1613 . 1 1 146 146 PRO CA C 13 63.255 0.2 . 1 . . . . 150 P CA . 16957 2
1614 . 1 1 146 146 PRO CB C 13 31.723 0.2 . 1 . . . . 150 P CB . 16957 2
1615 . 1 1 146 146 PRO CD C 13 50.816 0.2 . 1 . . . . 150 P CD . 16957 2
1616 . 1 1 146 146 PRO CG C 13 27.376 0.2 . 1 . . . . 150 P CG . 16957 2
1617 . 1 1 147 147 ARG H H 1 7.889 0.05 . 1 . . . . 151 R H . 16957 2
1618 . 1 1 147 147 ARG HA H 1 4.183 0.05 . 1 . . . . 151 R HA . 16957 2
1619 . 1 1 147 147 ARG HB2 H 1 1.856 0.05 . 2 . . . . 151 R HB2 . 16957 2
1620 . 1 1 147 147 ARG HB3 H 1 1.695 0.05 . 2 . . . . 151 R HB3 . 16957 2
1621 . 1 1 147 147 ARG HD2 H 1 3.177 0.05 . 2 . . . . 151 R HD . 16957 2
1622 . 1 1 147 147 ARG HD3 H 1 3.177 0.05 . 2 . . . . 151 R HD . 16957 2
1623 . 1 1 147 147 ARG HG2 H 1 1.653 0.05 . 2 . . . . 151 R HG . 16957 2
1624 . 1 1 147 147 ARG HG3 H 1 1.653 0.05 . 2 . . . . 151 R HG . 16957 2
1625 . 1 1 147 147 ARG CA C 13 57.091 0.2 . 1 . . . . 151 R CA . 16957 2
1626 . 1 1 147 147 ARG CB C 13 31.723 0.2 . 1 . . . . 151 R CB . 16957 2
1627 . 1 1 147 147 ARG CD C 13 43.257 0.2 . 1 . . . . 151 R CD . 16957 2
1628 . 1 1 147 147 ARG CG C 13 27.127 0.2 . 1 . . . . 151 R CG . 16957 2
1629 . 1 1 147 147 ARG N N 15 126.873 0.1 . 1 . . . . 151 R N . 16957 2
stop_
save_
save_assigned_chem_shift_list_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3
_Assigned_chem_shift_list.Entry_ID 16957
_Assigned_chem_shift_list.ID 3
_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 0.05
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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
12 '2D HN(CO)' . . . 16957 3
13 '2D H(N)CO' . . . 16957 3
14 '2D HN(CA)' . . . 16957 3
15 '2D H(N)CA' . . . 16957 3
16 '2D HN(CO)' . . . 16957 3
17 '2D H(N)CO' . . . 16957 3
18 '2D HN(CA)' . . . 16957 3
19 '2D H(N)CA' . . . 16957 3
20 '2D 1H-15N HSQC' . . . 16957 3
21 '2D 1H-15N HSQC' . . . 16957 3
22 '2D 1H-15N HSQC' . . . 16957 3
23 '2D HN(CA)' . . . 16957 3
24 '2D H(N)CA' . . . 16957 3
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $SPARKY . . 16957 3
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 3 3 GLY CA C 13 45.261 0.2 . 1 . . . . 7 G CA . 16957 3
2 . 1 1 4 4 LEU H H 1 8.477 0.05 . 1 . . . . 8 L H . 16957 3
3 . 1 1 4 4 LEU N N 15 121.911 0.1 . 1 . . . . 8 L N . 16957 3
4 . 1 1 7 7 LEU H H 1 8.002 0.05 . 1 . . . . 11 L H . 16957 3
5 . 1 1 7 7 LEU C C 13 176.657 0.2 . 1 . . . . 11 L C . 16957 3
6 . 1 1 7 7 LEU CA C 13 56.060 0.2 . 1 . . . . 11 L CA . 16957 3
7 . 1 1 7 7 LEU N N 15 121.132 0.1 . 1 . . . . 11 L N . 16957 3
8 . 1 1 10 10 ARG H H 1 7.943 0.05 . 1 . . . . 14 R H . 16957 3
9 . 1 1 10 10 ARG CA C 13 56.331 0.2 . 1 . . . . 14 R CA . 16957 3
10 . 1 1 10 10 ARG N N 15 119.926 0.1 . 1 . . . . 14 R N . 16957 3
11 . 1 1 11 11 VAL H H 1 7.936 0.05 . 1 . . . . 15 V H . 16957 3
12 . 1 1 11 11 VAL N N 15 119.196 0.1 . 1 . . . . 15 V N . 16957 3
13 . 1 1 12 12 ARG H H 1 8.571 0.05 . 1 . . . . 16 R H . 16957 3
14 . 1 1 12 12 ARG CA C 13 56.507 0.2 . 1 . . . . 16 R CA . 16957 3
15 . 1 1 12 12 ARG N N 15 124.104 0.1 . 1 . . . . 16 R N . 16957 3
16 . 1 1 14 14 ILE H H 1 8.423 0.05 . 1 . . . . 18 I H . 16957 3
17 . 1 1 14 14 ILE N N 15 120.385 0.1 . 1 . . . . 18 I N . 16957 3
18 . 1 1 25 25 LEU H H 1 8.137 0.05 . 1 . . . . 29 L H . 16957 3
19 . 1 1 25 25 LEU N N 15 119.991 0.1 . 1 . . . . 29 L N . 16957 3
20 . 1 1 32 32 LEU H H 1 8.309 0.05 . 1 . . . . 36 L H . 16957 3
21 . 1 1 32 32 LEU C C 13 179.008 0.2 . 1 . . . . 36 L C . 16957 3
22 . 1 1 32 32 LEU N N 15 120.940 0.1 . 1 . . . . 36 L N . 16957 3
23 . 1 1 33 33 LEU H H 1 8.724 0.05 . 1 . . . . 37 L H . 16957 3
24 . 1 1 33 33 LEU N N 15 118.868 0.1 . 1 . . . . 37 L N . 16957 3
25 . 1 1 35 35 VAL C C 13 176.926 0.2 . 1 . . . . 39 V C . 16957 3
26 . 1 1 36 36 ILE H H 1 7.519 0.05 . 1 . . . . 40 I H . 16957 3
27 . 1 1 36 36 ILE N N 15 119.381 0.1 . 1 . . . . 40 I N . 16957 3
28 . 1 1 46 46 LEU H H 1 8.170 0.05 . 1 . . . . 50 L H . 16957 3
29 . 1 1 46 46 LEU N N 15 122.716 0.1 . 1 . . . . 50 L N . 16957 3
30 . 1 1 51 51 LEU H H 1 7.832 0.05 . 1 . . . . 55 L H . 16957 3
31 . 1 1 51 51 LEU N N 15 121.250 0.1 . 1 . . . . 55 L N . 16957 3
32 . 1 1 53 53 ARG H H 1 7.367 0.05 . 1 . . . . 57 R H . 16957 3
33 . 1 1 53 53 ARG CA C 13 60.434 0.2 . 1 . . . . 57 R CA . 16957 3
34 . 1 1 53 53 ARG N N 15 116.497 0.1 . 1 . . . . 57 R N . 16957 3
35 . 1 1 54 54 LEU H H 1 8.009 0.05 . 1 . . . . 58 L H . 16957 3
36 . 1 1 54 54 LEU N N 15 120.259 0.1 . 1 . . . . 58 L N . 16957 3
37 . 1 1 56 56 LEU H H 1 8.453 0.05 . 1 . . . . 60 L H . 16957 3
38 . 1 1 56 56 LEU N N 15 123.431 0.1 . 1 . . . . 60 L N . 16957 3
39 . 1 1 59 59 LEU H H 1 7.760 0.05 . 1 . . . . 63 L H . 16957 3
40 . 1 1 59 59 LEU CA C 13 58.295 0.2 . 1 . . . . 63 L CA . 16957 3
41 . 1 1 59 59 LEU N N 15 117.137 0.1 . 1 . . . . 63 L N . 16957 3
42 . 1 1 60 60 ILE H H 1 7.725 0.05 . 1 . . . . 64 I H . 16957 3
43 . 1 1 60 60 ILE N N 15 117.261 0.1 . 1 . . . . 64 I N . 16957 3
44 . 1 1 61 61 LEU H H 1 8.038 0.05 . 1 . . . . 65 L H . 16957 3
45 . 1 1 61 61 LEU N N 15 117.119 0.1 . 1 . . . . 65 L N . 16957 3
46 . 1 1 62 62 VAL C C 13 177.649 0.2 . 1 . . . . 66 V C . 16957 3
47 . 1 1 63 63 ILE H H 1 8.095 0.05 . 1 . . . . 67 I H . 16957 3
48 . 1 1 63 63 ILE N N 15 121.636 0.1 . 1 . . . . 67 I N . 16957 3
49 . 1 1 64 64 ILE H H 1 7.550 0.05 . 1 . . . . 68 I H . 16957 3
50 . 1 1 64 64 ILE N N 15 119.425 0.1 . 1 . . . . 68 I N . 16957 3
51 . 1 1 65 65 LEU H H 1 8.113 0.05 . 1 . . . . 69 L H . 16957 3
52 . 1 1 65 65 LEU N N 15 118.075 0.1 . 1 . . . . 69 L N . 16957 3
53 . 1 1 72 72 ARG H H 1 8.148 0.05 . 1 . . . . 76 R H . 16957 3
54 . 1 1 72 72 ARG CA C 13 60.151 0.2 . 1 . . . . 76 R CA . 16957 3
55 . 1 1 72 72 ARG N N 15 119.328 0.1 . 1 . . . . 76 R N . 16957 3
56 . 1 1 87 87 LEU H H 1 7.233 0.05 . 1 . . . . 91 L H . 16957 3
57 . 1 1 87 87 LEU N N 15 122.019 0.1 . 1 . . . . 91 L N . 16957 3
58 . 1 1 90 90 ILE H H 1 7.288 0.05 . 1 . . . . 94 I H . 16957 3
59 . 1 1 90 90 ILE N N 15 116.905 0.1 . 1 . . . . 94 I N . 16957 3
60 . 1 1 93 93 LEU H H 1 7.552 0.05 . 1 . . . . 97 L H . 16957 3
61 . 1 1 93 93 LEU N N 15 112.956 0.1 . 1 . . . . 97 L N . 16957 3
62 . 1 1 98 98 LEU H H 1 7.124 0.05 . 1 . . . . 102 L H . 16957 3
63 . 1 1 98 98 LEU C C 13 177.850 0.2 . 1 . . . . 102 L C . 16957 3
64 . 1 1 98 98 LEU N N 15 118.250 0.1 . 1 . . . . 102 L N . 16957 3
65 . 1 1 99 99 LEU H H 1 6.848 0.05 . 1 . . . . 103 L H . 16957 3
66 . 1 1 99 99 LEU N N 15 116.376 0.1 . 1 . . . . 103 L N . 16957 3
67 . 1 1 101 101 LEU H H 1 7.674 0.05 . 1 . . . . 105 L H . 16957 3
68 . 1 1 101 101 LEU CA C 13 57.998 0.2 . 1 . . . . 105 L CA . 16957 3
69 . 1 1 101 101 LEU N N 15 118.940 0.1 . 1 . . . . 105 L N . 16957 3
70 . 1 1 102 102 ILE H H 1 7.827 0.05 . 1 . . . . 106 I H . 16957 3
71 . 1 1 102 102 ILE N N 15 118.269 0.1 . 1 . . . . 106 I N . 16957 3
72 . 1 1 106 106 LEU H H 1 8.370 0.05 . 1 . . . . 110 L H . 16957 3
73 . 1 1 106 106 LEU N N 15 117.874 0.1 . 1 . . . . 110 L N . 16957 3
74 . 1 1 109 109 LEU H H 1 7.144 0.05 . 1 . . . . 113 L H . 16957 3
75 . 1 1 109 109 LEU N N 15 118.843 0.1 . 1 . . . . 113 L N . 16957 3
76 . 1 1 111 111 LEU H H 1 7.569 0.05 . 1 . . . . 115 L H . 16957 3
77 . 1 1 111 111 LEU N N 15 122.282 0.1 . 1 . . . . 115 L N . 16957 3
78 . 1 1 114 114 LEU H H 1 7.292 0.05 . 1 . . . . 118 L H . 16957 3
79 . 1 1 114 114 LEU N N 15 117.190 0.1 . 1 . . . . 118 L N . 16957 3
80 . 1 1 116 116 ARG H H 1 7.677 0.05 . 1 . . . . 120 R H . 16957 3
81 . 1 1 116 116 ARG CA C 13 59.671 0.2 . 1 . . . . 120 R CA . 16957 3
82 . 1 1 116 116 ARG N N 15 117.679 0.1 . 1 . . . . 120 R N . 16957 3
83 . 1 1 117 117 LEU C C 13 178.176 0.2 . 1 . . . . 121 L C . 16957 3
84 . 1 1 118 118 LEU H H 1 8.091 0.05 . 1 . . . . 122 L H . 16957 3
85 . 1 1 118 118 LEU N N 15 120.725 0.1 . 1 . . . . 122 L N . 16957 3
86 . 1 1 119 119 ARG H H 1 8.189 0.05 . 1 . . . . 123 R H . 16957 3
87 . 1 1 119 119 ARG CA C 13 59.537 0.2 . 1 . . . . 123 R CA . 16957 3
88 . 1 1 119 119 ARG N N 15 119.208 0.1 . 1 . . . . 123 R N . 16957 3
89 . 1 1 121 121 LEU H H 1 8.362 0.05 . 1 . . . . 125 L H . 16957 3
90 . 1 1 121 121 LEU N N 15 118.398 0.1 . 1 . . . . 125 L N . 16957 3
91 . 1 1 122 122 ARG H H 1 7.984 0.05 . 1 . . . . 126 R H . 16957 3
92 . 1 1 122 122 ARG CA C 13 59.832 0.2 . 1 . . . . 126 R CA . 16957 3
93 . 1 1 122 122 ARG N N 15 117.984 0.1 . 1 . . . . 126 R N . 16957 3
94 . 1 1 123 123 ILE H H 1 7.708 0.05 . 1 . . . . 127 I H . 16957 3
95 . 1 1 123 123 ILE N N 15 118.152 0.1 . 1 . . . . 127 I N . 16957 3
96 . 1 1 124 124 LEU C C 13 178.465 0.2 . 1 . . . . 128 L C . 16957 3
97 . 1 1 125 125 LEU H H 1 8.074 0.05 . 1 . . . . 129 L H . 16957 3
98 . 1 1 125 125 LEU CA C 13 59.682 0.2 . 1 . . . . 129 L CA . 16957 3
99 . 1 1 125 125 LEU N N 15 120.912 0.1 . 1 . . . . 129 L N . 16957 3
100 . 1 1 126 126 ILE H H 1 8.043 0.05 . 1 . . . . 130 I H . 16957 3
101 . 1 1 126 126 ILE N N 15 119.444 0.1 . 1 . . . . 130 I N . 16957 3
102 . 1 1 127 127 ILE H H 1 8.084 0.05 . 1 . . . . 131 I H . 16957 3
103 . 1 1 127 127 ILE N N 15 119.266 0.1 . 1 . . . . 131 I N . 16957 3
104 . 1 1 129 129 ARG H H 1 8.691 0.05 . 1 . . . . 133 R H . 16957 3
105 . 1 1 129 129 ARG CA C 13 60.531 0.2 . 1 . . . . 133 R CA . 16957 3
106 . 1 1 129 129 ARG N N 15 120.634 0.1 . 1 . . . . 133 R N . 16957 3
107 . 1 1 134 134 LEU H H 1 7.932 0.05 . 1 . . . . 138 L H . 16957 3
108 . 1 1 134 134 LEU N N 15 118.119 0.1 . 1 . . . . 138 L N . 16957 3
109 . 1 1 137 137 ILE H H 1 7.910 0.05 . 1 . . . . 141 I H . 16957 3
110 . 1 1 137 137 ILE N N 15 116.816 0.1 . 1 . . . . 141 I N . 16957 3
111 . 1 1 144 144 LEU H H 1 7.782 0.05 . 1 . . . . 148 L H . 16957 3
112 . 1 1 144 144 LEU C C 13 176.648 0.2 . 1 . . . . 148 L C . 16957 3
113 . 1 1 144 144 LEU CA C 13 55.753 0.2 . 1 . . . . 148 L CA . 16957 3
114 . 1 1 144 144 LEU N N 15 118.548 0.1 . 1 . . . . 148 L N . 16957 3
115 . 1 1 145 145 VAL H H 1 7.607 0.05 . 1 . . . . 149 V H . 16957 3
116 . 1 1 145 145 VAL N N 15 119.320 0.1 . 1 . . . . 149 V N . 16957 3
117 . 1 1 147 147 ARG H H 1 7.836 0.05 . 1 . . . . 151 R H . 16957 3
118 . 1 1 147 147 ARG CA C 13 57.133 0.2 . 1 . . . . 151 R CA . 16957 3
119 . 1 1 147 147 ARG N N 15 127.016 0.1 . 1 . . . . 151 R N . 16957 3
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