data_52600
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 52600
_Entry.Title
;
chemical shift assignments of a De novo design of protein that bind naphthalenediimides
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2024-09-10
_Entry.Accession_date 2024-09-10
_Entry.Last_release_date 2024-09-10
_Entry.Original_release_date 2024-09-10
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.14.0
_Entry.NMR_STAR_dict_location .
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID 1
_Entry.Generated_software_label $software_1
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_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.ORCID
_Entry_author.Entry_ID
1 Samuel Mann . . . . 52600
2 Yibing Wu . . . . 52600
3 Mark Kelly . . . . 52600
4 William Degrado . . . . 52600
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
1 . UCSF . 52600
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 52600
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 451 52600
'15N chemical shifts' 165 52600
'1H chemical shifts' 983 52600
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2025-03-06 . original BMRB . 52600
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 52600
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.PubMed_ID 39982408
_Citation.DOI .
_Citation.Full_citation .
_Citation.Title
;
De Novo Design of Proteins That Bind Naphthalenediimides, Powerful Photooxidants with Tunable Photophysical Properties
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Am. Chem. Soc.'
_Citation.Journal_name_full 'Journal of the American Chemical Society'
_Citation.Journal_volume 147
_Citation.Journal_issue 9
_Citation.Journal_ASTM .
_Citation.Journal_ISSN 1520-5126
_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 7849
_Citation.Page_last 7858
_Citation.Year 2025
_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.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Samuel Mann S. I. . . 52600 1
2 Zhi Lin Z. . . . 52600 1
3 Sophia Tan S. K. . . 52600 1
4 Jiaqi Zhu J. . . . 52600 1
5 Zachary Widel . . . . 52600 1
6 Ian Bakanas I. . . . 52600 1
7 Jarrett Mansergh J. P. . . 52600 1
8 Rui Liu R. . . . 52600 1
9 Mark Kelly . . . . 52600 1
10 Yibing Wu Y. . . . 52600 1
11 James Wells J. A. . . 52600 1
12 Michael Therien M. J. . . 52600 1
13 William DeGrado W. F. . . 52600 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'De novo protein design, naphthalenediimides, NMR' 52600 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 52600
_Assembly.ID 1
_Assembly.Name protein
_Assembly.BMRB_code .
_Assembly.Number_of_components 2
_Assembly.Organic_ligands 1
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states no
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange no
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details 'Complex with Naphthalenediimide; formula: C22H24N4O4.'
_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 protein 1 $entity_1 . . yes native no no . . . 52600 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 52600
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity_1
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
HHHHHHENLYFQSSAKQDFA
EGVKLWQENAVLWTRLVQAF
QSGDQSTVDSLLKQLDANAA
RVEQLLQRIISETGDELARK
GESLFQRNQQLFSQLKTLFS
QGDEDTAKAVLEEIQSNLNQ
IQQIITEAQKRL
;
_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 132
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
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 . HIS . 52600 1
2 . HIS . 52600 1
3 . HIS . 52600 1
4 . HIS . 52600 1
5 . HIS . 52600 1
6 . HIS . 52600 1
7 . GLU . 52600 1
8 . ASN . 52600 1
9 . LEU . 52600 1
10 . TYR . 52600 1
11 . PHE . 52600 1
12 . GLN . 52600 1
13 . SER . 52600 1
14 . SER . 52600 1
15 . ALA . 52600 1
16 . LYS . 52600 1
17 . GLN . 52600 1
18 . ASP . 52600 1
19 . PHE . 52600 1
20 . ALA . 52600 1
21 . GLU . 52600 1
22 . GLY . 52600 1
23 . VAL . 52600 1
24 . LYS . 52600 1
25 . LEU . 52600 1
26 . TRP . 52600 1
27 . GLN . 52600 1
28 . GLU . 52600 1
29 . ASN . 52600 1
30 . ALA . 52600 1
31 . VAL . 52600 1
32 . LEU . 52600 1
33 . TRP . 52600 1
34 . THR . 52600 1
35 . ARG . 52600 1
36 . LEU . 52600 1
37 . VAL . 52600 1
38 . GLN . 52600 1
39 . ALA . 52600 1
40 . PHE . 52600 1
41 . GLN . 52600 1
42 . SER . 52600 1
43 . GLY . 52600 1
44 . ASP . 52600 1
45 . GLN . 52600 1
46 . SER . 52600 1
47 . THR . 52600 1
48 . VAL . 52600 1
49 . ASP . 52600 1
50 . SER . 52600 1
51 . LEU . 52600 1
52 . LEU . 52600 1
53 . LYS . 52600 1
54 . GLN . 52600 1
55 . LEU . 52600 1
56 . ASP . 52600 1
57 . ALA . 52600 1
58 . ASN . 52600 1
59 . ALA . 52600 1
60 . ALA . 52600 1
61 . ARG . 52600 1
62 . VAL . 52600 1
63 . GLU . 52600 1
64 . GLN . 52600 1
65 . LEU . 52600 1
66 . LEU . 52600 1
67 . GLN . 52600 1
68 . ARG . 52600 1
69 . ILE . 52600 1
70 . ILE . 52600 1
71 . SER . 52600 1
72 . GLU . 52600 1
73 . THR . 52600 1
74 . GLY . 52600 1
75 . ASP . 52600 1
76 . GLU . 52600 1
77 . LEU . 52600 1
78 . ALA . 52600 1
79 . ARG . 52600 1
80 . LYS . 52600 1
81 . GLY . 52600 1
82 . GLU . 52600 1
83 . SER . 52600 1
84 . LEU . 52600 1
85 . PHE . 52600 1
86 . GLN . 52600 1
87 . ARG . 52600 1
88 . ASN . 52600 1
89 . GLN . 52600 1
90 . GLN . 52600 1
91 . LEU . 52600 1
92 . PHE . 52600 1
93 . SER . 52600 1
94 . GLN . 52600 1
95 . LEU . 52600 1
96 . LYS . 52600 1
97 . THR . 52600 1
98 . LEU . 52600 1
99 . PHE . 52600 1
100 . SER . 52600 1
101 . GLN . 52600 1
102 . GLY . 52600 1
103 . ASP . 52600 1
104 . GLU . 52600 1
105 . ASP . 52600 1
106 . THR . 52600 1
107 . ALA . 52600 1
108 . LYS . 52600 1
109 . ALA . 52600 1
110 . VAL . 52600 1
111 . LEU . 52600 1
112 . GLU . 52600 1
113 . GLU . 52600 1
114 . ILE . 52600 1
115 . GLN . 52600 1
116 . SER . 52600 1
117 . ASN . 52600 1
118 . LEU . 52600 1
119 . ASN . 52600 1
120 . GLN . 52600 1
121 . ILE . 52600 1
122 . GLN . 52600 1
123 . GLN . 52600 1
124 . ILE . 52600 1
125 . ILE . 52600 1
126 . THR . 52600 1
127 . GLU . 52600 1
128 . ALA . 52600 1
129 . GLN . 52600 1
130 . LYS . 52600 1
131 . ARG . 52600 1
132 . LEU . 52600 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
. HIS 1 1 52600 1
. HIS 2 2 52600 1
. HIS 3 3 52600 1
. HIS 4 4 52600 1
. HIS 5 5 52600 1
. HIS 6 6 52600 1
. GLU 7 7 52600 1
. ASN 8 8 52600 1
. LEU 9 9 52600 1
. TYR 10 10 52600 1
. PHE 11 11 52600 1
. GLN 12 12 52600 1
. SER 13 13 52600 1
. SER 14 14 52600 1
. ALA 15 15 52600 1
. LYS 16 16 52600 1
. GLN 17 17 52600 1
. ASP 18 18 52600 1
. PHE 19 19 52600 1
. ALA 20 20 52600 1
. GLU 21 21 52600 1
. GLY 22 22 52600 1
. VAL 23 23 52600 1
. LYS 24 24 52600 1
. LEU 25 25 52600 1
. TRP 26 26 52600 1
. GLN 27 27 52600 1
. GLU 28 28 52600 1
. ASN 29 29 52600 1
. ALA 30 30 52600 1
. VAL 31 31 52600 1
. LEU 32 32 52600 1
. TRP 33 33 52600 1
. THR 34 34 52600 1
. ARG 35 35 52600 1
. LEU 36 36 52600 1
. VAL 37 37 52600 1
. GLN 38 38 52600 1
. ALA 39 39 52600 1
. PHE 40 40 52600 1
. GLN 41 41 52600 1
. SER 42 42 52600 1
. GLY 43 43 52600 1
. ASP 44 44 52600 1
. GLN 45 45 52600 1
. SER 46 46 52600 1
. THR 47 47 52600 1
. VAL 48 48 52600 1
. ASP 49 49 52600 1
. SER 50 50 52600 1
. LEU 51 51 52600 1
. LEU 52 52 52600 1
. LYS 53 53 52600 1
. GLN 54 54 52600 1
. LEU 55 55 52600 1
. ASP 56 56 52600 1
. ALA 57 57 52600 1
. ASN 58 58 52600 1
. ALA 59 59 52600 1
. ALA 60 60 52600 1
. ARG 61 61 52600 1
. VAL 62 62 52600 1
. GLU 63 63 52600 1
. GLN 64 64 52600 1
. LEU 65 65 52600 1
. LEU 66 66 52600 1
. GLN 67 67 52600 1
. ARG 68 68 52600 1
. ILE 69 69 52600 1
. ILE 70 70 52600 1
. SER 71 71 52600 1
. GLU 72 72 52600 1
. THR 73 73 52600 1
. GLY 74 74 52600 1
. ASP 75 75 52600 1
. GLU 76 76 52600 1
. LEU 77 77 52600 1
. ALA 78 78 52600 1
. ARG 79 79 52600 1
. LYS 80 80 52600 1
. GLY 81 81 52600 1
. GLU 82 82 52600 1
. SER 83 83 52600 1
. LEU 84 84 52600 1
. PHE 85 85 52600 1
. GLN 86 86 52600 1
. ARG 87 87 52600 1
. ASN 88 88 52600 1
. GLN 89 89 52600 1
. GLN 90 90 52600 1
. LEU 91 91 52600 1
. PHE 92 92 52600 1
. SER 93 93 52600 1
. GLN 94 94 52600 1
. LEU 95 95 52600 1
. LYS 96 96 52600 1
. THR 97 97 52600 1
. LEU 98 98 52600 1
. PHE 99 99 52600 1
. SER 100 100 52600 1
. GLN 101 101 52600 1
. GLY 102 102 52600 1
. ASP 103 103 52600 1
. GLU 104 104 52600 1
. ASP 105 105 52600 1
. THR 106 106 52600 1
. ALA 107 107 52600 1
. LYS 108 108 52600 1
. ALA 109 109 52600 1
. VAL 110 110 52600 1
. LEU 111 111 52600 1
. GLU 112 112 52600 1
. GLU 113 113 52600 1
. ILE 114 114 52600 1
. GLN 115 115 52600 1
. SER 116 116 52600 1
. ASN 117 117 52600 1
. LEU 118 118 52600 1
. ASN 119 119 52600 1
. GLN 120 120 52600 1
. ILE 121 121 52600 1
. GLN 122 122 52600 1
. GLN 123 123 52600 1
. ILE 124 124 52600 1
. ILE 125 125 52600 1
. THR 126 126 52600 1
. GLU 127 127 52600 1
. ALA 128 128 52600 1
. GLN 129 129 52600 1
. LYS 130 130 52600 1
. ARG 131 131 52600 1
. LEU 132 132 52600 1
stop_
save_
####################
# Natural source #
####################
save_natural_source_1
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source_1
_Entity_natural_src_list.Entry_ID 52600
_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.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.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Details
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 52600 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source_1
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source_1
_Entity_experimental_src_list.Entry_ID 52600
_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_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.Details
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . BL21(DE3) . . . 52600 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 52600
_Sample.ID 1
_Sample.Name 'sample 1'
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number 1
_Sample.Solvent_system '95% H2O/5% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 protein '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.2 . . M . . . . 52600 1
2 Naphthalenediimide 'natural abundance' . . . . . . 0.2 . . M . . . . 52600 1
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 52600
_Sample_condition_list.ID 1
_Sample_condition_list.Name 'sample 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' 200 . mM 52600 1
pH 7.5 . pH 52600 1
pressure 1 . atm 52600 1
temperature 298 . K 52600 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 52600
_Software.ID 1
_Software.Type .
_Software.Name TOPSPIN
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
collection . 52600 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 52600
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name 'Bruker 800'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list_1
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list_1
_Experiment_list.Entry_ID 52600
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NUS_flag
_Experiment.Interleaved_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.Details
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52600 1
2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52600 1
3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52600 1
4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52600 1
5 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52600 1
6 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52600 1
7 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52600 1
8 F1_F2_fil_TOCSY no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52600 1
9 F1_fil_NOESY no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52600 1
10 '3D NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52600 1
stop_
save_
save_computing_platform_1
_Computing_platform.Sf_category computing_platform
_Computing_platform.Sf_framecode computing_platform_1
_Computing_platform.Entry_ID 52600
_Computing_platform.ID 1
_Computing_platform.Name NMRtist
_Computing_platform.Reference_ID .
_Computing_platform.Site https://nmrtist.org/
_Computing_platform.Site_reference_ID .
_Computing_platform.Details .
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chem_shift_reference_1
_Chem_shift_reference.Entry_ID 52600
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name DSS
_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.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 52600 1
H 1 DSS 'methyl protons' . . . . ppm 4.75 internal direct 1 . . . . . 52600 1
N 15 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 52600 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_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52600
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Ph2NDI
_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 $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
4 '3D CBCA(CO)NH' . . . 52600 1
5 '3D CBCANH' . . . 52600 1
6 '3D C(CO)NH' . . . 52600 1
7 '3D HNCA' . . . 52600 1
8 F1_F2_fil_TOCSY . . . 52600 1
10 '3D NOESY' . . . 52600 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
1 $software_1 . . 52600 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 HIS H H 1 8.507 0.010 . . . . . . . 1 H H . 52600 1
2 . 1 . 1 1 1 HIS HA H 1 4.539 0.000 . . . . . . . 1 H HA . 52600 1
3 . 1 . 1 1 1 HIS HB2 H 1 2.975 0.000 . . . . . . . 1 H HB2 . 52600 1
4 . 1 . 1 1 1 HIS HB3 H 1 2.995 0.010 . . . . . . . 1 H HB3 . 52600 1
5 . 1 . 1 1 1 HIS HD1 H 1 7.724 0.010 . . . . . . . 1 H HD1 . 52600 1
6 . 1 . 1 1 1 HIS HD2 H 1 6.885 0.010 . . . . . . . 1 H HD2 . 52600 1
7 . 1 . 1 1 1 HIS HE1 H 1 7.812 0.010 . . . . . . . 1 H HE1 . 52600 1
8 . 1 . 1 1 1 HIS CA C 13 56.570 0.000 . . . . . . . 1 H CA . 52600 1
9 . 1 . 1 1 1 HIS CB C 13 30.948 0.000 . . . . . . . 1 H CB . 52600 1
10 . 1 . 1 1 1 HIS CD2 C 13 120.088 0.010 . . . . . . . 1 H CD2 . 52600 1
11 . 1 . 1 1 1 HIS CE1 C 13 138.352 0.010 . . . . . . . 1 H CE1 . 52600 1
12 . 1 . 1 1 1 HIS N N 15 119.323 0.010 . . . . . . . 1 H N . 52600 1
13 . 1 . 1 1 1 HIS ND1 N 15 122.340 0.010 . . . . . . . 1 H ND1 . 52600 1
14 . 1 . 1 2 2 HIS H H 1 8.413 0.010 . . . . . . . 2 H H . 52600 1
15 . 1 . 1 2 2 HIS HA H 1 4.547 0.000 . . . . . . . 2 H HA . 52600 1
16 . 1 . 1 2 2 HIS HB2 H 1 2.964 0.010 . . . . . . . 2 H HB2 . 52600 1
17 . 1 . 1 2 2 HIS HB3 H 1 2.979 0.010 . . . . . . . 2 H HB3 . 52600 1
18 . 1 . 1 2 2 HIS HD1 H 1 7.656 0.010 . . . . . . . 2 H HD1 . 52600 1
19 . 1 . 1 2 2 HIS HD2 H 1 7.721 0.010 . . . . . . . 2 H HD2 . 52600 1
20 . 1 . 1 2 2 HIS HE1 H 1 7.813 0.010 . . . . . . . 2 H HE1 . 52600 1
21 . 1 . 1 2 2 HIS CA C 13 56.446 0.000 . . . . . . . 2 H CA . 52600 1
22 . 1 . 1 2 2 HIS CB C 13 31.127 0.000 . . . . . . . 2 H CB . 52600 1
23 . 1 . 1 2 2 HIS CD2 C 13 119.320 0.010 . . . . . . . 2 H CD2 . 52600 1
24 . 1 . 1 2 2 HIS CE1 C 13 138.344 0.000 . . . . . . . 2 H CE1 . 52600 1
25 . 1 . 1 2 2 HIS N N 15 121.552 0.000 . . . . . . . 2 H N . 52600 1
26 . 1 . 1 2 2 HIS ND1 N 15 119.506 0.010 . . . . . . . 2 H ND1 . 52600 1
27 . 1 . 1 3 3 HIS H H 1 7.892 0.010 . . . . . . . 3 H H . 52600 1
28 . 1 . 1 3 3 HIS HA H 1 3.983 0.000 . . . . . . . 3 H HA . 52600 1
29 . 1 . 1 3 3 HIS HB2 H 1 2.411 0.010 . . . . . . . 3 H HB2 . 52600 1
30 . 1 . 1 3 3 HIS HB3 H 1 2.994 0.000 . . . . . . . 3 H HB3 . 52600 1
31 . 1 . 1 3 3 HIS HD1 H 1 7.179 0.010 . . . . . . . 3 H HD1 . 52600 1
32 . 1 . 1 3 3 HIS HD2 H 1 7.708 0.010 . . . . . . . 3 H HD2 . 52600 1
33 . 1 . 1 3 3 HIS HE1 H 1 6.869 0.010 . . . . . . . 3 H HE1 . 52600 1
34 . 1 . 1 3 3 HIS CA C 13 54.853 0.010 . . . . . . . 3 H CA . 52600 1
35 . 1 . 1 3 3 HIS CB C 13 31.255 0.000 . . . . . . . 3 H CB . 52600 1
36 . 1 . 1 3 3 HIS CD2 C 13 120.222 0.010 . . . . . . . 3 H CD2 . 52600 1
37 . 1 . 1 3 3 HIS CE1 C 13 134.560 0.010 . . . . . . . 3 H CE1 . 52600 1
38 . 1 . 1 3 3 HIS N N 15 120.197 0.010 . . . . . . . 3 H N . 52600 1
39 . 1 . 1 3 3 HIS ND1 N 15 117.150 0.010 . . . . . . . 3 H ND1 . 52600 1
40 . 1 . 1 4 4 HIS H H 1 8.098 0.000 . . . . . . . 4 H H . 52600 1
41 . 1 . 1 4 4 HIS HA H 1 4.278 0.010 . . . . . . . 4 H HA . 52600 1
42 . 1 . 1 4 4 HIS HB2 H 1 2.853 0.010 . . . . . . . 4 H HB2 . 52600 1
43 . 1 . 1 4 4 HIS HB3 H 1 2.894 0.010 . . . . . . . 4 H HB3 . 52600 1
44 . 1 . 1 4 4 HIS HD1 H 1 7.668 0.010 . . . . . . . 4 H HD1 . 52600 1
45 . 1 . 1 4 4 HIS HD2 H 1 6.891 0.010 . . . . . . . 4 H HD2 . 52600 1
46 . 1 . 1 4 4 HIS HE1 H 1 7.826 0.010 . . . . . . . 4 H HE1 . 52600 1
47 . 1 . 1 4 4 HIS CA C 13 55.685 0.010 . . . . . . . 4 H CA . 52600 1
48 . 1 . 1 4 4 HIS CB C 13 31.140 0.000 . . . . . . . 4 H CB . 52600 1
49 . 1 . 1 4 4 HIS CD2 C 13 120.135 0.010 . . . . . . . 4 H CD2 . 52600 1
50 . 1 . 1 4 4 HIS CE1 C 13 138.380 0.010 . . . . . . . 4 H CE1 . 52600 1
51 . 1 . 1 4 4 HIS N N 15 120.037 0.000 . . . . . . . 4 H N . 52600 1
52 . 1 . 1 4 4 HIS ND1 N 15 110.859 0.010 . . . . . . . 4 H ND1 . 52600 1
53 . 1 . 1 5 5 HIS H H 1 8.087 0.010 . . . . . . . 5 H H . 52600 1
54 . 1 . 1 5 5 HIS HA H 1 3.987 0.010 . . . . . . . 5 H HA . 52600 1
55 . 1 . 1 5 5 HIS HB2 H 1 2.400 0.000 . . . . . . . 5 H HB2 . 52600 1
56 . 1 . 1 5 5 HIS HB3 H 1 3.004 0.010 . . . . . . . 5 H HB3 . 52600 1
57 . 1 . 1 5 5 HIS HD1 H 1 8.173 0.010 . . . . . . . 5 H HD1 . 52600 1
58 . 1 . 1 5 5 HIS HD2 H 1 6.913 0.010 . . . . . . . 5 H HD2 . 52600 1
59 . 1 . 1 5 5 HIS HE1 H 1 8.168 0.010 . . . . . . . 5 H HE1 . 52600 1
60 . 1 . 1 5 5 HIS CA C 13 55.813 0.010 . . . . . . . 5 H CA . 52600 1
61 . 1 . 1 5 5 HIS CB C 13 31.236 0.000 . . . . . . . 5 H CB . 52600 1
62 . 1 . 1 5 5 HIS CD2 C 13 119.401 0.010 . . . . . . . 5 H CD2 . 52600 1
63 . 1 . 1 5 5 HIS CE1 C 13 138.376 0.010 . . . . . . . 5 H CE1 . 52600 1
64 . 1 . 1 5 5 HIS N N 15 119.908 0.000 . . . . . . . 5 H N . 52600 1
65 . 1 . 1 5 5 HIS ND1 N 15 123.601 0.010 . . . . . . . 5 H ND1 . 52600 1
66 . 1 . 1 6 6 HIS H H 1 8.092 0.010 . . . . . . . 6 H H . 52600 1
67 . 1 . 1 6 6 HIS HA H 1 4.201 0.000 . . . . . . . 6 H HA . 52600 1
68 . 1 . 1 6 6 HIS HB2 H 1 2.173 0.010 . . . . . . . 6 H HB2 . 52600 1
69 . 1 . 1 6 6 HIS HB3 H 1 2.177 0.010 . . . . . . . 6 H HB3 . 52600 1
70 . 1 . 1 6 6 HIS HD1 H 1 8.173 0.010 . . . . . . . 6 H HD1 . 52600 1
71 . 1 . 1 6 6 HIS HD2 H 1 7.312 0.000 . . . . . . . 6 H HD2 . 52600 1
72 . 1 . 1 6 6 HIS HE1 H 1 7.320 0.010 . . . . . . . 6 H HE1 . 52600 1
73 . 1 . 1 6 6 HIS CA C 13 56.955 0.010 . . . . . . . 6 H CA . 52600 1
74 . 1 . 1 6 6 HIS CB C 13 30.164 0.000 . . . . . . . 6 H CB . 52600 1
75 . 1 . 1 6 6 HIS CD2 C 13 121.465 0.010 . . . . . . . 6 H CD2 . 52600 1
76 . 1 . 1 6 6 HIS CE1 C 13 138.730 0.010 . . . . . . . 6 H CE1 . 52600 1
77 . 1 . 1 6 6 HIS N N 15 119.915 0.010 . . . . . . . 6 H N . 52600 1
78 . 1 . 1 6 6 HIS ND1 N 15 123.557 0.010 . . . . . . . 6 H ND1 . 52600 1
79 . 1 . 1 7 7 GLU H H 1 8.571 0.010 . . . . . . . 7 E H . 52600 1
80 . 1 . 1 7 7 GLU HA H 1 4.204 0.000 . . . . . . . 7 E HA . 52600 1
81 . 1 . 1 7 7 GLU HB2 H 1 1.910 0.000 . . . . . . . 7 E HB2 . 52600 1
82 . 1 . 1 7 7 GLU HB3 H 1 2.022 0.000 . . . . . . . 7 E HB3 . 52600 1
83 . 1 . 1 7 7 GLU HG2 H 1 2.180 0.000 . . . . . . . 7 E HG2 . 52600 1
84 . 1 . 1 7 7 GLU HG3 H 1 2.392 0.010 . . . . . . . 7 E HG3 . 52600 1
85 . 1 . 1 7 7 GLU CA C 13 56.919 0.000 . . . . . . . 7 E CA . 52600 1
86 . 1 . 1 7 7 GLU CB C 13 30.181 0.000 . . . . . . . 7 E CB . 52600 1
87 . 1 . 1 7 7 GLU CG C 13 36.433 0.000 . . . . . . . 7 E CG . 52600 1
88 . 1 . 1 7 7 GLU N N 15 119.277 0.000 . . . . . . . 7 E N . 52600 1
89 . 1 . 1 8 8 ASN H H 1 8.527 0.000 . . . . . . . 8 N H . 52600 1
90 . 1 . 1 8 8 ASN HA H 1 4.664 0.000 . . . . . . . 8 N HA . 52600 1
91 . 1 . 1 8 8 ASN HB2 H 1 2.736 0.000 . . . . . . . 8 N HB2 . 52600 1
92 . 1 . 1 8 8 ASN HB3 H 1 2.747 0.010 . . . . . . . 8 N HB3 . 52600 1
93 . 1 . 1 8 8 ASN HD21 H 1 6.929 0.000 . . . . . . . 8 N HD21 . 52600 1
94 . 1 . 1 8 8 ASN HD22 H 1 7.595 0.000 . . . . . . . 8 N HD22 . 52600 1
95 . 1 . 1 8 8 ASN CA C 13 53.412 0.000 . . . . . . . 8 N CA . 52600 1
96 . 1 . 1 8 8 ASN CB C 13 38.778 0.000 . . . . . . . 8 N CB . 52600 1
97 . 1 . 1 8 8 ASN N N 15 119.233 0.000 . . . . . . . 8 N N . 52600 1
98 . 1 . 1 8 8 ASN ND2 N 15 112.657 0.000 . . . . . . . 8 N ND2 . 52600 1
99 . 1 . 1 9 9 LEU H H 1 8.103 0.010 . . . . . . . 9 L H . 52600 1
100 . 1 . 1 9 9 LEU HA H 1 4.200 0.000 . . . . . . . 9 L HA . 52600 1
101 . 1 . 1 9 9 LEU HB2 H 1 1.344 0.000 . . . . . . . 9 L HB2 . 52600 1
102 . 1 . 1 9 9 LEU HB3 H 1 1.459 0.000 . . . . . . . 9 L HB3 . 52600 1
103 . 1 . 1 9 9 LEU HG H 1 1.443 0.000 . . . . . . . 9 L HG . 52600 1
104 . 1 . 1 9 9 LEU HD11 H 1 0.815 0.000 . . . . . . . 9 L QD1 . 52600 1
105 . 1 . 1 9 9 LEU HD12 H 1 0.815 0.000 . . . . . . . 9 L QD1 . 52600 1
106 . 1 . 1 9 9 LEU HD13 H 1 0.815 0.000 . . . . . . . 9 L QD1 . 52600 1
107 . 1 . 1 9 9 LEU HD21 H 1 0.793 0.000 . . . . . . . 9 L QD2 . 52600 1
108 . 1 . 1 9 9 LEU HD22 H 1 0.793 0.000 . . . . . . . 9 L QD2 . 52600 1
109 . 1 . 1 9 9 LEU HD23 H 1 0.793 0.000 . . . . . . . 9 L QD2 . 52600 1
110 . 1 . 1 9 9 LEU CA C 13 55.737 0.000 . . . . . . . 9 L CA . 52600 1
111 . 1 . 1 9 9 LEU CB C 13 42.296 0.000 . . . . . . . 9 L CB . 52600 1
112 . 1 . 1 9 9 LEU CG C 13 26.814 0.000 . . . . . . . 9 L CG . 52600 1
113 . 1 . 1 9 9 LEU CD1 C 13 23.501 0.000 . . . . . . . 9 L CD1 . 52600 1
114 . 1 . 1 9 9 LEU CD2 C 13 23.528 0.010 . . . . . . . 9 L CD2 . 52600 1
115 . 1 . 1 9 9 LEU N N 15 122.255 0.000 . . . . . . . 9 L N . 52600 1
116 . 1 . 1 10 10 TYR H H 1 8.023 0.010 . . . . . . . 10 Y H . 52600 1
117 . 1 . 1 10 10 TYR HA H 1 4.473 0.000 . . . . . . . 10 Y HA . 52600 1
118 . 1 . 1 10 10 TYR HB2 H 1 2.874 0.000 . . . . . . . 10 Y HB2 . 52600 1
119 . 1 . 1 10 10 TYR HB3 H 1 2.934 0.010 . . . . . . . 10 Y HB3 . 52600 1
120 . 1 . 1 10 10 TYR HD1 H 1 6.943 0.000 . . . . . . . 10 Y HD1 . 52600 1
121 . 1 . 1 10 10 TYR HD2 H 1 6.979 0.000 . . . . . . . 10 Y HD2 . 52600 1
122 . 1 . 1 10 10 TYR HE1 H 1 6.735 0.000 . . . . . . . 10 Y HE1 . 52600 1
123 . 1 . 1 10 10 TYR HE2 H 1 6.765 0.010 . . . . . . . 10 Y HE2 . 52600 1
124 . 1 . 1 10 10 TYR CA C 13 58.114 0.000 . . . . . . . 10 Y CA . 52600 1
125 . 1 . 1 10 10 TYR CB C 13 38.549 0.000 . . . . . . . 10 Y CB . 52600 1
126 . 1 . 1 10 10 TYR CD1 C 13 132.981 0.000 . . . . . . . 10 Y CD1 . 52600 1
127 . 1 . 1 10 10 TYR CE1 C 13 118.075 0.000 . . . . . . . 10 Y CE1 . 52600 1
128 . 1 . 1 10 10 TYR N N 15 119.652 0.000 . . . . . . . 10 Y N . 52600 1
129 . 1 . 1 11 11 PHE H H 1 7.988 0.000 . . . . . . . 11 F H . 52600 1
130 . 1 . 1 11 11 PHE HA H 1 4.481 0.010 . . . . . . . 11 F HA . 52600 1
131 . 1 . 1 11 11 PHE HB2 H 1 3.000 0.010 . . . . . . . 11 F HB2 . 52600 1
132 . 1 . 1 11 11 PHE HB3 H 1 3.105 0.000 . . . . . . . 11 F HB3 . 52600 1
133 . 1 . 1 11 11 PHE HD1 H 1 7.212 0.010 . . . . . . . 11 F HD1 . 52600 1
134 . 1 . 1 11 11 PHE HD2 H 1 7.219 0.010 . . . . . . . 11 F HD2 . 52600 1
135 . 1 . 1 11 11 PHE HE1 H 1 7.006 0.010 . . . . . . . 11 F HE1 . 52600 1
136 . 1 . 1 11 11 PHE HE2 H 1 7.201 0.010 . . . . . . . 11 F HE2 . 52600 1
137 . 1 . 1 11 11 PHE HZ H 1 6.481 0.010 . . . . . . . 11 F HZ . 52600 1
138 . 1 . 1 11 11 PHE CA C 13 58.020 0.000 . . . . . . . 11 F CA . 52600 1
139 . 1 . 1 11 11 PHE CB C 13 39.692 0.000 . . . . . . . 11 F CB . 52600 1
140 . 1 . 1 11 11 PHE CD1 C 13 131.540 0.010 . . . . . . . 11 F CD1 . 52600 1
141 . 1 . 1 11 11 PHE CE1 C 13 132.994 0.010 . . . . . . . 11 F CE1 . 52600 1
142 . 1 . 1 11 11 PHE CZ C 13 129.635 0.010 . . . . . . . 11 F CZ . 52600 1
143 . 1 . 1 11 11 PHE N N 15 121.032 0.000 . . . . . . . 11 F N . 52600 1
144 . 1 . 1 12 12 GLN H H 1 7.886 0.000 . . . . . . . 12 Q H . 52600 1
145 . 1 . 1 12 12 GLN HA H 1 4.297 0.000 . . . . . . . 12 Q HA . 52600 1
146 . 1 . 1 12 12 GLN HB2 H 1 1.967 0.000 . . . . . . . 12 Q HB2 . 52600 1
147 . 1 . 1 12 12 GLN HB3 H 1 2.140 0.000 . . . . . . . 12 Q HB3 . 52600 1
148 . 1 . 1 12 12 GLN HG2 H 1 2.300 0.000 . . . . . . . 12 Q HG2 . 52600 1
149 . 1 . 1 12 12 GLN HG3 H 1 2.302 0.000 . . . . . . . 12 Q HG3 . 52600 1
150 . 1 . 1 12 12 GLN HE21 H 1 6.843 0.000 . . . . . . . 12 Q HE21 . 52600 1
151 . 1 . 1 12 12 GLN HE22 H 1 7.516 0.000 . . . . . . . 12 Q HE22 . 52600 1
152 . 1 . 1 12 12 GLN CA C 13 55.865 0.000 . . . . . . . 12 Q CA . 52600 1
153 . 1 . 1 12 12 GLN CB C 13 29.442 0.000 . . . . . . . 12 Q CB . 52600 1
154 . 1 . 1 12 12 GLN CG C 13 33.898 0.000 . . . . . . . 12 Q CG . 52600 1
155 . 1 . 1 12 12 GLN N N 15 120.027 0.000 . . . . . . . 12 Q N . 52600 1
156 . 1 . 1 12 12 GLN NE2 N 15 112.060 0.000 . . . . . . . 12 Q NE2 . 52600 1
157 . 1 . 1 13 13 SER H H 1 7.604 0.010 . . . . . . . 13 S H . 52600 1
158 . 1 . 1 13 13 SER HA H 1 4.341 0.010 . . . . . . . 13 S HA . 52600 1
159 . 1 . 1 13 13 SER HB2 H 1 4.094 0.000 . . . . . . . 13 S HB2 . 52600 1
160 . 1 . 1 13 13 SER HB3 H 1 4.119 0.000 . . . . . . . 13 S HB3 . 52600 1
161 . 1 . 1 13 13 SER CA C 13 61.646 0.010 . . . . . . . 13 S CA . 52600 1
162 . 1 . 1 13 13 SER CB C 13 62.860 0.000 . . . . . . . 13 S CB . 52600 1
163 . 1 . 1 13 13 SER N N 15 120.226 0.010 . . . . . . . 13 S N . 52600 1
164 . 1 . 1 14 14 SER H H 1 7.889 0.010 . . . . . . . 14 S H . 52600 1
165 . 1 . 1 14 14 SER HA H 1 4.423 0.000 . . . . . . . 14 S HA . 52600 1
166 . 1 . 1 14 14 SER HB2 H 1 3.875 0.000 . . . . . . . 14 S HB2 . 52600 1
167 . 1 . 1 14 14 SER HB3 H 1 4.051 0.000 . . . . . . . 14 S HB3 . 52600 1
168 . 1 . 1 14 14 SER CA C 13 59.811 0.000 . . . . . . . 14 S CA . 52600 1
169 . 1 . 1 14 14 SER CB C 13 63.403 0.000 . . . . . . . 14 S CB . 52600 1
170 . 1 . 1 14 14 SER N N 15 118.155 0.010 . . . . . . . 14 S N . 52600 1
171 . 1 . 1 15 15 ALA H H 1 8.130 0.000 . . . . . . . 15 A H . 52600 1
172 . 1 . 1 15 15 ALA HA H 1 4.416 0.000 . . . . . . . 15 A HA . 52600 1
173 . 1 . 1 15 15 ALA HB1 H 1 1.396 0.000 . . . . . . . 15 A HB# . 52600 1
174 . 1 . 1 15 15 ALA HB2 H 1 1.396 0.000 . . . . . . . 15 A HB# . 52600 1
175 . 1 . 1 15 15 ALA HB3 H 1 1.396 0.000 . . . . . . . 15 A HB# . 52600 1
176 . 1 . 1 15 15 ALA CA C 13 54.951 0.000 . . . . . . . 15 A CA . 52600 1
177 . 1 . 1 15 15 ALA CB C 13 18.868 0.000 . . . . . . . 15 A CB . 52600 1
178 . 1 . 1 15 15 ALA N N 15 125.107 0.000 . . . . . . . 15 A N . 52600 1
179 . 1 . 1 16 16 LYS H H 1 8.103 0.000 . . . . . . . 16 K H . 52600 1
180 . 1 . 1 16 16 LYS HA H 1 4.134 0.000 . . . . . . . 16 K HA . 52600 1
181 . 1 . 1 16 16 LYS HB2 H 1 1.709 0.000 . . . . . . . 16 K HB2 . 52600 1
182 . 1 . 1 16 16 LYS HB3 H 1 2.142 0.010 . . . . . . . 16 K HB3 . 52600 1
183 . 1 . 1 16 16 LYS HG2 H 1 0.861 0.000 . . . . . . . 16 K HG2 . 52600 1
184 . 1 . 1 16 16 LYS HG3 H 1 1.440 0.010 . . . . . . . 16 K HG3 . 52600 1
185 . 1 . 1 16 16 LYS HD2 H 1 0.873 0.000 . . . . . . . 16 K HD2 . 52600 1
186 . 1 . 1 16 16 LYS HD3 H 1 1.679 0.010 . . . . . . . 16 K HD3 . 52600 1
187 . 1 . 1 16 16 LYS HE2 H 1 2.933 0.000 . . . . . . . 16 K HE2 . 52600 1
188 . 1 . 1 16 16 LYS HE3 H 1 2.946 0.000 . . . . . . . 16 K HE3 . 52600 1
189 . 1 . 1 16 16 LYS CA C 13 59.674 0.000 . . . . . . . 16 K CA . 52600 1
190 . 1 . 1 16 16 LYS CB C 13 29.416 0.000 . . . . . . . 16 K CB . 52600 1
191 . 1 . 1 16 16 LYS CG C 13 25.290 0.000 . . . . . . . 16 K CG . 52600 1
192 . 1 . 1 16 16 LYS CD C 13 27.083 0.000 . . . . . . . 16 K CD . 52600 1
193 . 1 . 1 16 16 LYS CE C 13 42.068 0.000 . . . . . . . 16 K CE . 52600 1
194 . 1 . 1 16 16 LYS N N 15 118.243 0.000 . . . . . . . 16 K N . 52600 1
195 . 1 . 1 17 17 GLN H H 1 8.070 0.010 . . . . . . . 17 Q H . 52600 1
196 . 1 . 1 17 17 GLN HA H 1 4.180 0.010 . . . . . . . 17 Q HA . 52600 1
197 . 1 . 1 17 17 GLN HB2 H 1 2.202 0.000 . . . . . . . 17 Q HB2 . 52600 1
198 . 1 . 1 17 17 GLN HB3 H 1 2.212 0.000 . . . . . . . 17 Q HB3 . 52600 1
199 . 1 . 1 17 17 GLN HG2 H 1 2.296 0.010 . . . . . . . 17 Q HG2 . 52600 1
200 . 1 . 1 17 17 GLN HG3 H 1 2.489 0.010 . . . . . . . 17 Q HG3 . 52600 1
201 . 1 . 1 17 17 GLN HE21 H 1 6.842 0.000 . . . . . . . 17 Q HE21 . 52600 1
202 . 1 . 1 17 17 GLN HE22 H 1 7.762 0.000 . . . . . . . 17 Q HE22 . 52600 1
203 . 1 . 1 17 17 GLN CA C 13 58.854 0.000 . . . . . . . 17 Q CA . 52600 1
204 . 1 . 1 17 17 GLN CB C 13 28.381 0.000 . . . . . . . 17 Q CB . 52600 1
205 . 1 . 1 17 17 GLN CG C 13 33.993 0.000 . . . . . . . 17 Q CG . 52600 1
206 . 1 . 1 17 17 GLN N N 15 120.678 0.000 . . . . . . . 17 Q N . 52600 1
207 . 1 . 1 17 17 GLN NE2 N 15 112.130 0.000 . . . . . . . 17 Q NE2 . 52600 1
208 . 1 . 1 18 18 ASP H H 1 8.523 0.000 . . . . . . . 18 D H . 52600 1
209 . 1 . 1 18 18 ASP HA H 1 4.521 0.000 . . . . . . . 18 D HA . 52600 1
210 . 1 . 1 18 18 ASP HB2 H 1 2.493 0.010 . . . . . . . 18 D HB2 . 52600 1
211 . 1 . 1 18 18 ASP HB3 H 1 2.780 0.000 . . . . . . . 18 D HB3 . 52600 1
212 . 1 . 1 18 18 ASP CA C 13 57.690 0.000 . . . . . . . 18 D CA . 52600 1
213 . 1 . 1 18 18 ASP CB C 13 40.611 0.000 . . . . . . . 18 D CB . 52600 1
214 . 1 . 1 18 18 ASP N N 15 121.801 0.000 . . . . . . . 18 D N . 52600 1
215 . 1 . 1 19 19 PHE H H 1 8.560 0.000 . . . . . . . 19 F H . 52600 1
216 . 1 . 1 19 19 PHE HA H 1 4.317 0.000 . . . . . . . 19 F HA . 52600 1
217 . 1 . 1 19 19 PHE HB2 H 1 3.071 0.010 . . . . . . . 19 F HB2 . 52600 1
218 . 1 . 1 19 19 PHE HB3 H 1 3.193 0.000 . . . . . . . 19 F HB3 . 52600 1
219 . 1 . 1 19 19 PHE HD1 H 1 7.003 0.000 . . . . . . . 19 F HD1 . 52600 1
220 . 1 . 1 19 19 PHE HD2 H 1 7.010 0.000 . . . . . . . 19 F HD2 . 52600 1
221 . 1 . 1 19 19 PHE HE1 H 1 6.431 0.000 . . . . . . . 19 F HE1 . 52600 1
222 . 1 . 1 19 19 PHE HE2 H 1 6.820 0.010 . . . . . . . 19 F HE2 . 52600 1
223 . 1 . 1 19 19 PHE HZ H 1 6.448 0.010 . . . . . . . 19 F HZ . 52600 1
224 . 1 . 1 19 19 PHE CA C 13 61.255 0.000 . . . . . . . 19 F CA . 52600 1
225 . 1 . 1 19 19 PHE CB C 13 38.995 0.000 . . . . . . . 19 F CB . 52600 1
226 . 1 . 1 19 19 PHE CD1 C 13 130.545 0.000 . . . . . . . 19 F CD1 . 52600 1
227 . 1 . 1 19 19 PHE CE1 C 13 130.651 0.010 . . . . . . . 19 F CE1 . 52600 1
228 . 1 . 1 19 19 PHE CZ C 13 130.595 0.010 . . . . . . . 19 F CZ . 52600 1
229 . 1 . 1 19 19 PHE N N 15 120.394 0.000 . . . . . . . 19 F N . 52600 1
230 . 1 . 1 20 20 ALA H H 1 8.008 0.000 . . . . . . . 20 A H . 52600 1
231 . 1 . 1 20 20 ALA HA H 1 3.937 0.000 . . . . . . . 20 A HA . 52600 1
232 . 1 . 1 20 20 ALA HB1 H 1 1.571 0.000 . . . . . . . 20 A HB# . 52600 1
233 . 1 . 1 20 20 ALA HB2 H 1 1.571 0.000 . . . . . . . 20 A HB# . 52600 1
234 . 1 . 1 20 20 ALA HB3 H 1 1.571 0.000 . . . . . . . 20 A HB# . 52600 1
235 . 1 . 1 20 20 ALA CA C 13 55.526 0.000 . . . . . . . 20 A CA . 52600 1
236 . 1 . 1 20 20 ALA CB C 13 18.000 0.000 . . . . . . . 20 A CB . 52600 1
237 . 1 . 1 20 20 ALA N N 15 121.074 0.000 . . . . . . . 20 A N . 52600 1
238 . 1 . 1 21 21 GLU H H 1 8.255 0.000 . . . . . . . 21 E H . 52600 1
239 . 1 . 1 21 21 GLU HA H 1 4.075 0.000 . . . . . . . 21 E HA . 52600 1
240 . 1 . 1 21 21 GLU HB2 H 1 2.175 0.010 . . . . . . . 21 E HB2 . 52600 1
241 . 1 . 1 21 21 GLU HB3 H 1 2.183 0.000 . . . . . . . 21 E HB3 . 52600 1
242 . 1 . 1 21 21 GLU HG2 H 1 2.281 0.010 . . . . . . . 21 E HG2 . 52600 1
243 . 1 . 1 21 21 GLU HG3 H 1 2.389 0.000 . . . . . . . 21 E HG3 . 52600 1
244 . 1 . 1 21 21 GLU CA C 13 59.379 0.000 . . . . . . . 21 E CA . 52600 1
245 . 1 . 1 21 21 GLU CB C 13 28.754 0.000 . . . . . . . 21 E CB . 52600 1
246 . 1 . 1 21 21 GLU CG C 13 36.034 0.000 . . . . . . . 21 E CG . 52600 1
247 . 1 . 1 21 21 GLU N N 15 120.422 0.000 . . . . . . . 21 E N . 52600 1
248 . 1 . 1 22 22 GLY H H 1 8.643 0.000 . . . . . . . 22 G H . 52600 1
249 . 1 . 1 22 22 GLY HA2 H 1 3.758 0.000 . . . . . . . 22 G HA2 . 52600 1
250 . 1 . 1 22 22 GLY HA3 H 1 3.764 0.000 . . . . . . . 22 G HA3 . 52600 1
251 . 1 . 1 22 22 GLY CA C 13 48.078 0.000 . . . . . . . 22 G CA . 52600 1
252 . 1 . 1 22 22 GLY N N 15 109.414 0.000 . . . . . . . 22 G N . 52600 1
253 . 1 . 1 23 23 VAL H H 1 8.753 0.000 . . . . . . . 23 V H . 52600 1
254 . 1 . 1 23 23 VAL HA H 1 3.534 0.000 . . . . . . . 23 V HA . 52600 1
255 . 1 . 1 23 23 VAL HB H 1 1.889 0.000 . . . . . . . 23 V HB . 52600 1
256 . 1 . 1 23 23 VAL HG11 H 1 0.777 0.000 . . . . . . . 23 V QG1 . 52600 1
257 . 1 . 1 23 23 VAL HG12 H 1 0.777 0.000 . . . . . . . 23 V QG1 . 52600 1
258 . 1 . 1 23 23 VAL HG13 H 1 0.777 0.000 . . . . . . . 23 V QG1 . 52600 1
259 . 1 . 1 23 23 VAL HG21 H 1 0.270 0.000 . . . . . . . 23 V QG2 . 52600 1
260 . 1 . 1 23 23 VAL HG22 H 1 0.270 0.000 . . . . . . . 23 V QG2 . 52600 1
261 . 1 . 1 23 23 VAL HG23 H 1 0.270 0.000 . . . . . . . 23 V QG2 . 52600 1
262 . 1 . 1 23 23 VAL CA C 13 67.539 0.000 . . . . . . . 23 V CA . 52600 1
263 . 1 . 1 23 23 VAL CB C 13 31.453 0.000 . . . . . . . 23 V CB . 52600 1
264 . 1 . 1 23 23 VAL CG1 C 13 21.399 0.000 . . . . . . . 23 V CG1 . 52600 1
265 . 1 . 1 23 23 VAL CG2 C 13 23.280 0.000 . . . . . . . 23 V CG2 . 52600 1
266 . 1 . 1 23 23 VAL N N 15 124.750 0.000 . . . . . . . 23 V N . 52600 1
267 . 1 . 1 24 24 LYS H H 1 7.617 0.000 . . . . . . . 24 K H . 52600 1
268 . 1 . 1 24 24 LYS HA H 1 4.148 0.000 . . . . . . . 24 K HA . 52600 1
269 . 1 . 1 24 24 LYS HB2 H 1 1.952 0.000 . . . . . . . 24 K HB2 . 52600 1
270 . 1 . 1 24 24 LYS HB3 H 1 2.091 0.000 . . . . . . . 24 K HB3 . 52600 1
271 . 1 . 1 24 24 LYS HG2 H 1 1.421 0.000 . . . . . . . 24 K HG2 . 52600 1
272 . 1 . 1 24 24 LYS HG3 H 1 1.425 0.000 . . . . . . . 24 K HG3 . 52600 1
273 . 1 . 1 24 24 LYS HD2 H 1 1.428 0.010 . . . . . . . 24 K HD2 . 52600 1
274 . 1 . 1 24 24 LYS HD3 H 1 1.625 0.000 . . . . . . . 24 K HD3 . 52600 1
275 . 1 . 1 24 24 LYS HE2 H 1 2.975 0.000 . . . . . . . 24 K HE2 . 52600 1
276 . 1 . 1 24 24 LYS HE3 H 1 2.993 0.000 . . . . . . . 24 K HE3 . 52600 1
277 . 1 . 1 24 24 LYS CA C 13 59.770 0.000 . . . . . . . 24 K CA . 52600 1
278 . 1 . 1 24 24 LYS CB C 13 32.202 0.000 . . . . . . . 24 K CB . 52600 1
279 . 1 . 1 24 24 LYS CG C 13 25.224 0.000 . . . . . . . 24 K CG . 52600 1
280 . 1 . 1 24 24 LYS CD C 13 25.297 0.000 . . . . . . . 24 K CD . 52600 1
281 . 1 . 1 24 24 LYS CE C 13 42.074 0.000 . . . . . . . 24 K CE . 52600 1
282 . 1 . 1 24 24 LYS N N 15 121.438 0.000 . . . . . . . 24 K N . 52600 1
283 . 1 . 1 25 25 LEU H H 1 8.346 0.000 . . . . . . . 25 L H . 52600 1
284 . 1 . 1 25 25 LEU HA H 1 4.149 0.000 . . . . . . . 25 L HA . 52600 1
285 . 1 . 1 25 25 LEU HB2 H 1 2.158 0.000 . . . . . . . 25 L HB2 . 52600 1
286 . 1 . 1 25 25 LEU HB3 H 1 2.166 0.000 . . . . . . . 25 L HB3 . 52600 1
287 . 1 . 1 25 25 LEU HG H 1 1.836 0.000 . . . . . . . 25 L HG . 52600 1
288 . 1 . 1 25 25 LEU HD11 H 1 0.816 0.000 . . . . . . . 25 L QD1 . 52600 1
289 . 1 . 1 25 25 LEU HD12 H 1 0.816 0.000 . . . . . . . 25 L QD1 . 52600 1
290 . 1 . 1 25 25 LEU HD13 H 1 0.816 0.000 . . . . . . . 25 L QD1 . 52600 1
291 . 1 . 1 25 25 LEU HD21 H 1 0.792 0.000 . . . . . . . 25 L QD2 . 52600 1
292 . 1 . 1 25 25 LEU HD22 H 1 0.792 0.000 . . . . . . . 25 L QD2 . 52600 1
293 . 1 . 1 25 25 LEU HD23 H 1 0.792 0.000 . . . . . . . 25 L QD2 . 52600 1
294 . 1 . 1 25 25 LEU CA C 13 58.210 0.000 . . . . . . . 25 L CA . 52600 1
295 . 1 . 1 25 25 LEU CB C 13 42.518 0.000 . . . . . . . 25 L CB . 52600 1
296 . 1 . 1 25 25 LEU CG C 13 27.230 0.000 . . . . . . . 25 L CG . 52600 1
297 . 1 . 1 25 25 LEU CD1 C 13 23.442 0.000 . . . . . . . 25 L CD1 . 52600 1
298 . 1 . 1 25 25 LEU CD2 C 13 25.817 0.010 . . . . . . . 25 L CD2 . 52600 1
299 . 1 . 1 25 25 LEU N N 15 120.262 0.000 . . . . . . . 25 L N . 52600 1
300 . 1 . 1 26 26 TRP H H 1 9.123 0.000 . . . . . . . 26 W H . 52600 1
301 . 1 . 1 26 26 TRP HA H 1 4.435 0.010 . . . . . . . 26 W HA . 52600 1
302 . 1 . 1 26 26 TRP HB2 H 1 2.140 0.010 . . . . . . . 26 W HB2 . 52600 1
303 . 1 . 1 26 26 TRP HB3 H 1 2.366 0.010 . . . . . . . 26 W HB3 . 52600 1
304 . 1 . 1 26 26 TRP HD1 H 1 7.094 0.000 . . . . . . . 26 W HD1 . 52600 1
305 . 1 . 1 26 26 TRP HE1 H 1 10.135 0.010 . . . . . . . 26 W HE1 . 52600 1
306 . 1 . 1 26 26 TRP HE3 H 1 7.315 0.010 . . . . . . . 26 W HE3 . 52600 1
307 . 1 . 1 26 26 TRP HZ2 H 1 7.094 0.000 . . . . . . . 26 W HZ2 . 52600 1
308 . 1 . 1 26 26 TRP HZ3 H 1 7.292 0.010 . . . . . . . 26 W HZ3 . 52600 1
309 . 1 . 1 26 26 TRP HH2 H 1 7.147 0.010 . . . . . . . 26 W HH2 . 52600 1
310 . 1 . 1 26 26 TRP CA C 13 60.284 0.000 . . . . . . . 26 W CA . 52600 1
311 . 1 . 1 26 26 TRP CB C 13 30.002 0.000 . . . . . . . 26 W CB . 52600 1
312 . 1 . 1 26 26 TRP CD1 C 13 124.756 0.010 . . . . . . . 26 W CD1 . 52600 1
313 . 1 . 1 26 26 TRP CE3 C 13 122.155 0.010 . . . . . . . 26 W CE3 . 52600 1
314 . 1 . 1 26 26 TRP CZ2 C 13 113.996 0.010 . . . . . . . 26 W CZ2 . 52600 1
315 . 1 . 1 26 26 TRP CZ3 C 13 122.014 0.010 . . . . . . . 26 W CZ3 . 52600 1
316 . 1 . 1 26 26 TRP CH2 C 13 124.571 0.010 . . . . . . . 26 W CH2 . 52600 1
317 . 1 . 1 26 26 TRP N N 15 120.582 0.000 . . . . . . . 26 W N . 52600 1
318 . 1 . 1 26 26 TRP NE1 N 15 129.265 0.010 . . . . . . . 26 W NE1 . 52600 1
319 . 1 . 1 27 27 GLN H H 1 8.190 0.000 . . . . . . . 27 Q H . 52600 1
320 . 1 . 1 27 27 GLN HA H 1 3.799 0.000 . . . . . . . 27 Q HA . 52600 1
321 . 1 . 1 27 27 GLN HB2 H 1 2.111 0.010 . . . . . . . 27 Q HB2 . 52600 1
322 . 1 . 1 27 27 GLN HB3 H 1 2.361 0.000 . . . . . . . 27 Q HB3 . 52600 1
323 . 1 . 1 27 27 GLN HG2 H 1 2.750 0.010 . . . . . . . 27 Q HG2 . 52600 1
324 . 1 . 1 27 27 GLN HG3 H 1 2.756 0.000 . . . . . . . 27 Q HG3 . 52600 1
325 . 1 . 1 27 27 GLN HE21 H 1 6.799 0.010 . . . . . . . 27 Q HE21 . 52600 1
326 . 1 . 1 27 27 GLN HE22 H 1 8.188 0.010 . . . . . . . 27 Q HE22 . 52600 1
327 . 1 . 1 27 27 GLN CA C 13 58.904 0.000 . . . . . . . 27 Q CA . 52600 1
328 . 1 . 1 27 27 GLN CB C 13 28.124 0.000 . . . . . . . 27 Q CB . 52600 1
329 . 1 . 1 27 27 GLN CG C 13 34.228 0.000 . . . . . . . 27 Q CG . 52600 1
330 . 1 . 1 27 27 GLN N N 15 116.677 0.000 . . . . . . . 27 Q N . 52600 1
331 . 1 . 1 27 27 GLN NE2 N 15 116.665 0.010 . . . . . . . 27 Q NE2 . 52600 1
332 . 1 . 1 28 28 GLU H H 1 8.081 0.000 . . . . . . . 28 E H . 52600 1
333 . 1 . 1 28 28 GLU HA H 1 4.000 0.000 . . . . . . . 28 E HA . 52600 1
334 . 1 . 1 28 28 GLU HB2 H 1 1.954 0.000 . . . . . . . 28 E HB2 . 52600 1
335 . 1 . 1 28 28 GLU HB3 H 1 2.107 0.010 . . . . . . . 28 E HB3 . 52600 1
336 . 1 . 1 28 28 GLU HG2 H 1 2.112 0.010 . . . . . . . 28 E HG2 . 52600 1
337 . 1 . 1 28 28 GLU HG3 H 1 2.405 0.010 . . . . . . . 28 E HG3 . 52600 1
338 . 1 . 1 28 28 GLU CA C 13 59.406 0.000 . . . . . . . 28 E CA . 52600 1
339 . 1 . 1 28 28 GLU CB C 13 29.976 0.000 . . . . . . . 28 E CB . 52600 1
340 . 1 . 1 28 28 GLU CG C 13 36.419 0.000 . . . . . . . 28 E CG . 52600 1
341 . 1 . 1 28 28 GLU N N 15 120.009 0.000 . . . . . . . 28 E N . 52600 1
342 . 1 . 1 29 29 ASN H H 1 8.832 0.000 . . . . . . . 29 N H . 52600 1
343 . 1 . 1 29 29 ASN HA H 1 4.239 0.000 . . . . . . . 29 N HA . 52600 1
344 . 1 . 1 29 29 ASN HB2 H 1 2.003 0.010 . . . . . . . 29 N HB2 . 52600 1
345 . 1 . 1 29 29 ASN HB3 H 1 2.529 0.010 . . . . . . . 29 N HB3 . 52600 1
346 . 1 . 1 29 29 ASN HD21 H 1 7.341 0.010 . . . . . . . 29 N HD21 . 52600 1
347 . 1 . 1 29 29 ASN HD22 H 1 7.744 0.000 . . . . . . . 29 N HD22 . 52600 1
348 . 1 . 1 29 29 ASN CA C 13 54.940 0.000 . . . . . . . 29 N CA . 52600 1
349 . 1 . 1 29 29 ASN CB C 13 36.612 0.010 . . . . . . . 29 N CB . 52600 1
350 . 1 . 1 29 29 ASN N N 15 118.654 0.000 . . . . . . . 29 N N . 52600 1
351 . 1 . 1 29 29 ASN ND2 N 15 108.971 0.010 . . . . . . . 29 N ND2 . 52600 1
352 . 1 . 1 30 30 ALA H H 1 8.329 0.000 . . . . . . . 30 A H . 52600 1
353 . 1 . 1 30 30 ALA HA H 1 3.932 0.000 . . . . . . . 30 A HA . 52600 1
354 . 1 . 1 30 30 ALA HB1 H 1 1.048 0.000 . . . . . . . 30 A HB# . 52600 1
355 . 1 . 1 30 30 ALA HB2 H 1 1.048 0.000 . . . . . . . 30 A HB# . 52600 1
356 . 1 . 1 30 30 ALA HB3 H 1 1.048 0.000 . . . . . . . 30 A HB# . 52600 1
357 . 1 . 1 30 30 ALA CA C 13 55.554 0.000 . . . . . . . 30 A CA . 52600 1
358 . 1 . 1 30 30 ALA CB C 13 17.398 0.000 . . . . . . . 30 A CB . 52600 1
359 . 1 . 1 30 30 ALA N N 15 124.528 0.000 . . . . . . . 30 A N . 52600 1
360 . 1 . 1 31 31 VAL H H 1 7.094 0.000 . . . . . . . 31 V H . 52600 1
361 . 1 . 1 31 31 VAL HA H 1 3.795 0.000 . . . . . . . 31 V HA . 52600 1
362 . 1 . 1 31 31 VAL HB H 1 2.188 0.000 . . . . . . . 31 V HB . 52600 1
363 . 1 . 1 31 31 VAL HG11 H 1 0.948 0.000 . . . . . . . 31 V QG1 . 52600 1
364 . 1 . 1 31 31 VAL HG12 H 1 0.948 0.000 . . . . . . . 31 V QG1 . 52600 1
365 . 1 . 1 31 31 VAL HG13 H 1 0.948 0.000 . . . . . . . 31 V QG1 . 52600 1
366 . 1 . 1 31 31 VAL HG21 H 1 1.093 0.000 . . . . . . . 31 V QG2 . 52600 1
367 . 1 . 1 31 31 VAL HG22 H 1 1.093 0.000 . . . . . . . 31 V QG2 . 52600 1
368 . 1 . 1 31 31 VAL HG23 H 1 1.093 0.000 . . . . . . . 31 V QG2 . 52600 1
369 . 1 . 1 31 31 VAL CA C 13 66.096 0.000 . . . . . . . 31 V CA . 52600 1
370 . 1 . 1 31 31 VAL CB C 13 31.993 0.000 . . . . . . . 31 V CB . 52600 1
371 . 1 . 1 31 31 VAL CG1 C 13 21.375 0.000 . . . . . . . 31 V CG1 . 52600 1
372 . 1 . 1 31 31 VAL CG2 C 13 22.400 0.000 . . . . . . . 31 V CG2 . 52600 1
373 . 1 . 1 31 31 VAL N N 15 118.797 0.000 . . . . . . . 31 V N . 52600 1
374 . 1 . 1 32 32 LEU H H 1 7.578 0.000 . . . . . . . 32 L H . 52600 1
375 . 1 . 1 32 32 LEU HA H 1 3.965 0.000 . . . . . . . 32 L HA . 52600 1
376 . 1 . 1 32 32 LEU HB2 H 1 2.194 0.010 . . . . . . . 32 L HB2 . 52600 1
377 . 1 . 1 32 32 LEU HB3 H 1 2.201 0.000 . . . . . . . 32 L HB3 . 52600 1
378 . 1 . 1 32 32 LEU HG H 1 1.924 0.010 . . . . . . . 32 L HG . 52600 1
379 . 1 . 1 32 32 LEU HD11 H 1 1.107 0.000 . . . . . . . 32 L QD1 . 52600 1
380 . 1 . 1 32 32 LEU HD12 H 1 1.107 0.000 . . . . . . . 32 L QD1 . 52600 1
381 . 1 . 1 32 32 LEU HD13 H 1 1.107 0.000 . . . . . . . 32 L QD1 . 52600 1
382 . 1 . 1 32 32 LEU HD21 H 1 0.907 0.010 . . . . . . . 32 L QD2 . 52600 1
383 . 1 . 1 32 32 LEU HD22 H 1 0.907 0.010 . . . . . . . 32 L QD2 . 52600 1
384 . 1 . 1 32 32 LEU HD23 H 1 0.907 0.010 . . . . . . . 32 L QD2 . 52600 1
385 . 1 . 1 32 32 LEU CA C 13 58.391 0.000 . . . . . . . 32 L CA . 52600 1
386 . 1 . 1 32 32 LEU CB C 13 41.956 0.000 . . . . . . . 32 L CB . 52600 1
387 . 1 . 1 32 32 LEU CG C 13 26.672 0.000 . . . . . . . 32 L CG . 52600 1
388 . 1 . 1 32 32 LEU CD1 C 13 22.678 0.000 . . . . . . . 32 L CD1 . 52600 1
389 . 1 . 1 32 32 LEU CD2 C 13 25.546 0.000 . . . . . . . 32 L CD2 . 52600 1
390 . 1 . 1 32 32 LEU N N 15 119.480 0.000 . . . . . . . 32 L N . 52600 1
391 . 1 . 1 33 33 TRP H H 1 8.963 0.000 . . . . . . . 33 W H . 52600 1
392 . 1 . 1 33 33 TRP HA H 1 3.787 0.000 . . . . . . . 33 W HA . 52600 1
393 . 1 . 1 33 33 TRP HB2 H 1 3.395 0.010 . . . . . . . 33 W HB2 . 52600 1
394 . 1 . 1 33 33 TRP HB3 H 1 3.431 0.010 . . . . . . . 33 W HB3 . 52600 1
395 . 1 . 1 33 33 TRP HD1 H 1 7.593 0.000 . . . . . . . 33 W HD1 . 52600 1
396 . 1 . 1 33 33 TRP HE1 H 1 10.084 0.000 . . . . . . . 33 W HE1 . 52600 1
397 . 1 . 1 33 33 TRP HE3 H 1 7.230 0.010 . . . . . . . 33 W HE3 . 52600 1
398 . 1 . 1 33 33 TRP HZ2 H 1 7.232 0.000 . . . . . . . 33 W HZ2 . 52600 1
399 . 1 . 1 33 33 TRP HZ3 H 1 7.579 0.010 . . . . . . . 33 W HZ3 . 52600 1
400 . 1 . 1 33 33 TRP HH2 H 1 7.232 0.010 . . . . . . . 33 W HH2 . 52600 1
401 . 1 . 1 33 33 TRP CA C 13 59.984 0.000 . . . . . . . 33 W CA . 52600 1
402 . 1 . 1 33 33 TRP CB C 13 29.688 0.000 . . . . . . . 33 W CB . 52600 1
403 . 1 . 1 33 33 TRP CD1 C 13 119.463 0.010 . . . . . . . 33 W CD1 . 52600 1
404 . 1 . 1 33 33 TRP CE3 C 13 119.398 0.010 . . . . . . . 33 W CE3 . 52600 1
405 . 1 . 1 33 33 TRP CZ2 C 13 114.042 0.000 . . . . . . . 33 W CZ2 . 52600 1
406 . 1 . 1 33 33 TRP CZ3 C 13 119.403 0.010 . . . . . . . 33 W CZ3 . 52600 1
407 . 1 . 1 33 33 TRP CH2 C 13 126.763 0.000 . . . . . . . 33 W CH2 . 52600 1
408 . 1 . 1 33 33 TRP N N 15 118.751 0.000 . . . . . . . 33 W N . 52600 1
409 . 1 . 1 33 33 TRP NE1 N 15 127.972 0.000 . . . . . . . 33 W NE1 . 52600 1
410 . 1 . 1 34 34 THR H H 1 7.967 0.000 . . . . . . . 34 T H . 52600 1
411 . 1 . 1 34 34 THR HA H 1 3.628 0.000 . . . . . . . 34 T HA . 52600 1
412 . 1 . 1 34 34 THR HB H 1 4.305 0.000 . . . . . . . 34 T HB . 52600 1
413 . 1 . 1 34 34 THR HG21 H 1 1.289 0.000 . . . . . . . 34 T QG2 . 52600 1
414 . 1 . 1 34 34 THR HG22 H 1 1.289 0.000 . . . . . . . 34 T QG2 . 52600 1
415 . 1 . 1 34 34 THR HG23 H 1 1.289 0.000 . . . . . . . 34 T QG2 . 52600 1
416 . 1 . 1 34 34 THR CA C 13 66.904 0.000 . . . . . . . 34 T CA . 52600 1
417 . 1 . 1 34 34 THR CB C 13 68.874 0.000 . . . . . . . 34 T CB . 52600 1
418 . 1 . 1 34 34 THR CG2 C 13 21.844 0.000 . . . . . . . 34 T CG2 . 52600 1
419 . 1 . 1 34 34 THR N N 15 113.984 0.000 . . . . . . . 34 T N . 52600 1
420 . 1 . 1 35 35 ARG H H 1 8.010 0.000 . . . . . . . 35 R H . 52600 1
421 . 1 . 1 35 35 ARG HA H 1 3.979 0.000 . . . . . . . 35 R HA . 52600 1
422 . 1 . 1 35 35 ARG HB2 H 1 1.640 0.010 . . . . . . . 35 R HB2 . 52600 1
423 . 1 . 1 35 35 ARG HB3 H 1 1.884 0.010 . . . . . . . 35 R HB3 . 52600 1
424 . 1 . 1 35 35 ARG HG2 H 1 1.641 0.000 . . . . . . . 35 R HG2 . 52600 1
425 . 1 . 1 35 35 ARG HG3 H 1 1.955 0.000 . . . . . . . 35 R HG3 . 52600 1
426 . 1 . 1 35 35 ARG HD2 H 1 3.021 0.000 . . . . . . . 35 R HD2 . 52600 1
427 . 1 . 1 35 35 ARG HD3 H 1 3.161 0.000 . . . . . . . 35 R HD3 . 52600 1
428 . 1 . 1 35 35 ARG HE H 1 8.012 0.000 . . . . . . . 35 R HE . 52600 1
429 . 1 . 1 35 35 ARG CA C 13 59.380 0.000 . . . . . . . 35 R CA . 52600 1
430 . 1 . 1 35 35 ARG CB C 13 30.216 0.010 . . . . . . . 35 R CB . 52600 1
431 . 1 . 1 35 35 ARG CG C 13 27.938 0.000 . . . . . . . 35 R CG . 52600 1
432 . 1 . 1 35 35 ARG CD C 13 43.971 0.000 . . . . . . . 35 R CD . 52600 1
433 . 1 . 1 35 35 ARG N N 15 120.164 0.000 . . . . . . . 35 R N . 52600 1
434 . 1 . 1 36 36 LEU H H 1 8.605 0.000 . . . . . . . 36 L H . 52600 1
435 . 1 . 1 36 36 LEU HA H 1 3.794 0.000 . . . . . . . 36 L HA . 52600 1
436 . 1 . 1 36 36 LEU HB2 H 1 1.689 0.000 . . . . . . . 36 L HB2 . 52600 1
437 . 1 . 1 36 36 LEU HB3 H 1 2.102 0.000 . . . . . . . 36 L HB3 . 52600 1
438 . 1 . 1 36 36 LEU HG H 1 1.097 0.010 . . . . . . . 36 L HG . 52600 1
439 . 1 . 1 36 36 LEU HD11 H 1 0.890 0.000 . . . . . . . 36 L QD1 . 52600 1
440 . 1 . 1 36 36 LEU HD12 H 1 0.890 0.000 . . . . . . . 36 L QD1 . 52600 1
441 . 1 . 1 36 36 LEU HD13 H 1 0.890 0.000 . . . . . . . 36 L QD1 . 52600 1
442 . 1 . 1 36 36 LEU HD21 H 1 1.095 0.010 . . . . . . . 36 L QD2 . 52600 1
443 . 1 . 1 36 36 LEU HD22 H 1 1.095 0.010 . . . . . . . 36 L QD2 . 52600 1
444 . 1 . 1 36 36 LEU HD23 H 1 1.095 0.010 . . . . . . . 36 L QD2 . 52600 1
445 . 1 . 1 36 36 LEU CA C 13 59.928 0.000 . . . . . . . 36 L CA . 52600 1
446 . 1 . 1 36 36 LEU CB C 13 41.216 0.000 . . . . . . . 36 L CB . 52600 1
447 . 1 . 1 36 36 LEU CG C 13 27.941 0.010 . . . . . . . 36 L CG . 52600 1
448 . 1 . 1 36 36 LEU CD1 C 13 25.340 0.000 . . . . . . . 36 L CD1 . 52600 1
449 . 1 . 1 36 36 LEU CD2 C 13 27.908 0.010 . . . . . . . 36 L CD2 . 52600 1
450 . 1 . 1 36 36 LEU N N 15 126.208 0.000 . . . . . . . 36 L N . 52600 1
451 . 1 . 1 37 37 VAL H H 1 8.076 0.000 . . . . . . . 37 V H . 52600 1
452 . 1 . 1 37 37 VAL HA H 1 3.170 0.000 . . . . . . . 37 V HA . 52600 1
453 . 1 . 1 37 37 VAL HB H 1 1.741 0.000 . . . . . . . 37 V HB . 52600 1
454 . 1 . 1 37 37 VAL HG11 H 1 0.760 0.000 . . . . . . . 37 V QG1 . 52600 1
455 . 1 . 1 37 37 VAL HG12 H 1 0.760 0.000 . . . . . . . 37 V QG1 . 52600 1
456 . 1 . 1 37 37 VAL HG13 H 1 0.760 0.000 . . . . . . . 37 V QG1 . 52600 1
457 . 1 . 1 37 37 VAL HG21 H 1 0.049 0.000 . . . . . . . 37 V QG2 . 52600 1
458 . 1 . 1 37 37 VAL HG22 H 1 0.049 0.000 . . . . . . . 37 V QG2 . 52600 1
459 . 1 . 1 37 37 VAL HG23 H 1 0.049 0.000 . . . . . . . 37 V QG2 . 52600 1
460 . 1 . 1 37 37 VAL CA C 13 67.607 0.000 . . . . . . . 37 V CA . 52600 1
461 . 1 . 1 37 37 VAL CB C 13 31.436 0.000 . . . . . . . 37 V CB . 52600 1
462 . 1 . 1 37 37 VAL CG1 C 13 21.277 0.000 . . . . . . . 37 V CG1 . 52600 1
463 . 1 . 1 37 37 VAL CG2 C 13 22.164 0.000 . . . . . . . 37 V CG2 . 52600 1
464 . 1 . 1 37 37 VAL N N 15 120.521 0.000 . . . . . . . 37 V N . 52600 1
465 . 1 . 1 38 38 GLN H H 1 7.592 0.000 . . . . . . . 38 Q H . 52600 1
466 . 1 . 1 38 38 GLN HA H 1 4.005 0.000 . . . . . . . 38 Q HA . 52600 1
467 . 1 . 1 38 38 GLN HB2 H 1 1.630 0.010 . . . . . . . 38 Q HB2 . 52600 1
468 . 1 . 1 38 38 GLN HB3 H 1 2.104 0.010 . . . . . . . 38 Q HB3 . 52600 1
469 . 1 . 1 38 38 GLN HG2 H 1 2.375 0.000 . . . . . . . 38 Q HG2 . 52600 1
470 . 1 . 1 38 38 GLN HG3 H 1 2.509 0.000 . . . . . . . 38 Q HG3 . 52600 1
471 . 1 . 1 38 38 GLN HE21 H 1 6.779 0.000 . . . . . . . 38 Q HE21 . 52600 1
472 . 1 . 1 38 38 GLN HE22 H 1 7.431 0.010 . . . . . . . 38 Q HE22 . 52600 1
473 . 1 . 1 38 38 GLN CA C 13 59.076 0.000 . . . . . . . 38 Q CA . 52600 1
474 . 1 . 1 38 38 GLN CB C 13 28.158 0.000 . . . . . . . 38 Q CB . 52600 1
475 . 1 . 1 38 38 GLN CG C 13 33.986 0.000 . . . . . . . 38 Q CG . 52600 1
476 . 1 . 1 38 38 GLN N N 15 117.631 0.000 . . . . . . . 38 Q N . 52600 1
477 . 1 . 1 38 38 GLN NE2 N 15 111.680 0.010 . . . . . . . 38 Q NE2 . 52600 1
478 . 1 . 1 39 39 ALA H H 1 8.349 0.000 . . . . . . . 39 A H . 52600 1
479 . 1 . 1 39 39 ALA HA H 1 4.243 0.000 . . . . . . . 39 A HA . 52600 1
480 . 1 . 1 39 39 ALA HB1 H 1 1.511 0.000 . . . . . . . 39 A HB# . 52600 1
481 . 1 . 1 39 39 ALA HB2 H 1 1.511 0.000 . . . . . . . 39 A HB# . 52600 1
482 . 1 . 1 39 39 ALA HB3 H 1 1.511 0.000 . . . . . . . 39 A HB# . 52600 1
483 . 1 . 1 39 39 ALA CA C 13 55.002 0.000 . . . . . . . 39 A CA . 52600 1
484 . 1 . 1 39 39 ALA CB C 13 18.056 0.000 . . . . . . . 39 A CB . 52600 1
485 . 1 . 1 39 39 ALA N N 15 123.566 0.000 . . . . . . . 39 A N . 52600 1
486 . 1 . 1 40 40 PHE H H 1 8.825 0.000 . . . . . . . 40 F H . 52600 1
487 . 1 . 1 40 40 PHE HA H 1 3.960 0.000 . . . . . . . 40 F HA . 52600 1
488 . 1 . 1 40 40 PHE HB2 H 1 3.154 0.010 . . . . . . . 40 F HB2 . 52600 1
489 . 1 . 1 40 40 PHE HB3 H 1 3.160 0.000 . . . . . . . 40 F HB3 . 52600 1
490 . 1 . 1 40 40 PHE HD1 H 1 7.100 0.000 . . . . . . . 40 F HD1 . 52600 1
491 . 1 . 1 40 40 PHE HD2 H 1 7.143 0.010 . . . . . . . 40 F HD2 . 52600 1
492 . 1 . 1 40 40 PHE HE1 H 1 7.091 0.010 . . . . . . . 40 F HE1 . 52600 1
493 . 1 . 1 40 40 PHE HE2 H 1 7.290 0.010 . . . . . . . 40 F HE2 . 52600 1
494 . 1 . 1 40 40 PHE HZ H 1 6.833 0.010 . . . . . . . 40 F HZ . 52600 1
495 . 1 . 1 40 40 PHE CA C 13 61.469 0.000 . . . . . . . 40 F CA . 52600 1
496 . 1 . 1 40 40 PHE CB C 13 39.063 0.000 . . . . . . . 40 F CB . 52600 1
497 . 1 . 1 40 40 PHE CD1 C 13 131.253 0.010 . . . . . . . 40 F CD1 . 52600 1
498 . 1 . 1 40 40 PHE CE1 C 13 131.325 0.010 . . . . . . . 40 F CE1 . 52600 1
499 . 1 . 1 40 40 PHE CZ C 13 128.887 0.010 . . . . . . . 40 F CZ . 52600 1
500 . 1 . 1 40 40 PHE N N 15 120.268 0.000 . . . . . . . 40 F N . 52600 1
501 . 1 . 1 41 41 GLN H H 1 8.403 0.000 . . . . . . . 41 Q H . 52600 1
502 . 1 . 1 41 41 GLN HA H 1 3.890 0.000 . . . . . . . 41 Q HA . 52600 1
503 . 1 . 1 41 41 GLN HB2 H 1 2.107 0.000 . . . . . . . 41 Q HB2 . 52600 1
504 . 1 . 1 41 41 GLN HB3 H 1 2.518 0.000 . . . . . . . 41 Q HB3 . 52600 1
505 . 1 . 1 41 41 GLN HG2 H 1 2.720 0.000 . . . . . . . 41 Q HG2 . 52600 1
506 . 1 . 1 41 41 GLN HG3 H 1 2.725 0.000 . . . . . . . 41 Q HG3 . 52600 1
507 . 1 . 1 41 41 GLN HE21 H 1 7.364 0.000 . . . . . . . 41 Q HE21 . 52600 1
508 . 1 . 1 41 41 GLN HE22 H 1 7.595 0.000 . . . . . . . 41 Q HE22 . 52600 1
509 . 1 . 1 41 41 GLN CA C 13 58.688 0.000 . . . . . . . 41 Q CA . 52600 1
510 . 1 . 1 41 41 GLN CB C 13 28.144 0.000 . . . . . . . 41 Q CB . 52600 1
511 . 1 . 1 41 41 GLN CG C 13 34.178 0.000 . . . . . . . 41 Q CG . 52600 1
512 . 1 . 1 41 41 GLN N N 15 119.092 0.000 . . . . . . . 41 Q N . 52600 1
513 . 1 . 1 41 41 GLN NE2 N 15 117.633 0.000 . . . . . . . 41 Q NE2 . 52600 1
514 . 1 . 1 42 42 SER H H 1 7.765 0.000 . . . . . . . 42 S H . 52600 1
515 . 1 . 1 42 42 SER HA H 1 4.480 0.000 . . . . . . . 42 S HA . 52600 1
516 . 1 . 1 42 42 SER HB2 H 1 4.001 0.000 . . . . . . . 42 S HB2 . 52600 1
517 . 1 . 1 42 42 SER HB3 H 1 4.007 0.000 . . . . . . . 42 S HB3 . 52600 1
518 . 1 . 1 42 42 SER CA C 13 58.765 0.000 . . . . . . . 42 S CA . 52600 1
519 . 1 . 1 42 42 SER CB C 13 64.085 0.000 . . . . . . . 42 S CB . 52600 1
520 . 1 . 1 42 42 SER N N 15 112.164 0.000 . . . . . . . 42 S N . 52600 1
521 . 1 . 1 43 43 GLY H H 1 7.665 0.000 . . . . . . . 43 G H . 52600 1
522 . 1 . 1 43 43 GLY HA2 H 1 3.854 0.000 . . . . . . . 43 G HA2 . 52600 1
523 . 1 . 1 43 43 GLY HA3 H 1 4.019 0.000 . . . . . . . 43 G HA3 . 52600 1
524 . 1 . 1 43 43 GLY CA C 13 46.191 0.000 . . . . . . . 43 G CA . 52600 1
525 . 1 . 1 43 43 GLY N N 15 110.825 0.000 . . . . . . . 43 G N . 52600 1
526 . 1 . 1 44 44 ASP H H 1 8.090 0.000 . . . . . . . 44 D H . 52600 1
527 . 1 . 1 44 44 ASP HA H 1 4.806 0.000 . . . . . . . 44 D HA . 52600 1
528 . 1 . 1 44 44 ASP HB2 H 1 2.530 0.000 . . . . . . . 44 D HB2 . 52600 1
529 . 1 . 1 44 44 ASP HB3 H 1 2.869 0.000 . . . . . . . 44 D HB3 . 52600 1
530 . 1 . 1 44 44 ASP CA C 13 51.731 0.000 . . . . . . . 44 D CA . 52600 1
531 . 1 . 1 44 44 ASP CB C 13 39.159 0.000 . . . . . . . 44 D CB . 52600 1
532 . 1 . 1 44 44 ASP N N 15 120.029 0.000 . . . . . . . 44 D N . 52600 1
533 . 1 . 1 45 45 GLN H H 1 7.945 0.000 . . . . . . . 45 Q H . 52600 1
534 . 1 . 1 45 45 GLN HA H 1 3.665 0.000 . . . . . . . 45 Q HA . 52600 1
535 . 1 . 1 45 45 GLN HB2 H 1 1.549 0.010 . . . . . . . 45 Q HB2 . 52600 1
536 . 1 . 1 45 45 GLN HB3 H 1 1.704 0.010 . . . . . . . 45 Q HB3 . 52600 1
537 . 1 . 1 45 45 GLN HG2 H 1 2.019 0.010 . . . . . . . 45 Q HG2 . 52600 1
538 . 1 . 1 45 45 GLN HG3 H 1 2.018 0.010 . . . . . . . 45 Q HG3 . 52600 1
539 . 1 . 1 45 45 GLN HE21 H 1 7.167 0.000 . . . . . . . 45 Q HE21 . 52600 1
540 . 1 . 1 45 45 GLN HE22 H 1 8.327 0.000 . . . . . . . 45 Q HE22 . 52600 1
541 . 1 . 1 45 45 GLN CA C 13 58.362 0.000 . . . . . . . 45 Q CA . 52600 1
542 . 1 . 1 45 45 GLN CB C 13 28.556 0.010 . . . . . . . 45 Q CB . 52600 1
543 . 1 . 1 45 45 GLN CG C 13 34.210 0.010 . . . . . . . 45 Q CG . 52600 1
544 . 1 . 1 45 45 GLN N N 15 124.094 0.000 . . . . . . . 45 Q N . 52600 1
545 . 1 . 1 45 45 GLN NE2 N 15 117.251 0.000 . . . . . . . 45 Q NE2 . 52600 1
546 . 1 . 1 46 46 SER H H 1 8.561 0.010 . . . . . . . 46 S H . 52600 1
547 . 1 . 1 46 46 SER HA H 1 4.275 0.000 . . . . . . . 46 S HA . 52600 1
548 . 1 . 1 46 46 SER HB2 H 1 3.973 0.010 . . . . . . . 46 S HB2 . 52600 1
549 . 1 . 1 46 46 SER HB3 H 1 4.273 0.010 . . . . . . . 46 S HB3 . 52600 1
550 . 1 . 1 46 46 SER CA C 13 61.708 0.000 . . . . . . . 46 S CA . 52600 1
551 . 1 . 1 46 46 SER CB C 13 62.450 0.010 . . . . . . . 46 S CB . 52600 1
552 . 1 . 1 46 46 SER N N 15 113.984 0.010 . . . . . . . 46 S N . 52600 1
553 . 1 . 1 47 47 THR H H 1 7.418 0.000 . . . . . . . 47 T H . 52600 1
554 . 1 . 1 47 47 THR HA H 1 3.992 0.000 . . . . . . . 47 T HA . 52600 1
555 . 1 . 1 47 47 THR HB H 1 3.993 0.010 . . . . . . . 47 T HB . 52600 1
556 . 1 . 1 47 47 THR HG21 H 1 1.113 0.000 . . . . . . . 47 T QG2 . 52600 1
557 . 1 . 1 47 47 THR HG22 H 1 1.113 0.000 . . . . . . . 47 T QG2 . 52600 1
558 . 1 . 1 47 47 THR HG23 H 1 1.113 0.000 . . . . . . . 47 T QG2 . 52600 1
559 . 1 . 1 47 47 THR CA C 13 66.129 0.000 . . . . . . . 47 T CA . 52600 1
560 . 1 . 1 47 47 THR CB C 13 66.098 0.000 . . . . . . . 47 T CB . 52600 1
561 . 1 . 1 47 47 THR CG2 C 13 22.760 0.000 . . . . . . . 47 T CG2 . 52600 1
562 . 1 . 1 47 47 THR N N 15 120.272 0.000 . . . . . . . 47 T N . 52600 1
563 . 1 . 1 48 48 VAL H H 1 7.639 0.000 . . . . . . . 48 V H . 52600 1
564 . 1 . 1 48 48 VAL HA H 1 3.270 0.000 . . . . . . . 48 V HA . 52600 1
565 . 1 . 1 48 48 VAL HB H 1 2.024 0.000 . . . . . . . 48 V HB . 52600 1
566 . 1 . 1 48 48 VAL HG11 H 1 0.504 0.000 . . . . . . . 48 V QG1 . 52600 1
567 . 1 . 1 48 48 VAL HG12 H 1 0.504 0.000 . . . . . . . 48 V QG1 . 52600 1
568 . 1 . 1 48 48 VAL HG13 H 1 0.504 0.000 . . . . . . . 48 V QG1 . 52600 1
569 . 1 . 1 48 48 VAL HG21 H 1 0.505 0.010 . . . . . . . 48 V QG2 . 52600 1
570 . 1 . 1 48 48 VAL HG22 H 1 0.505 0.010 . . . . . . . 48 V QG2 . 52600 1
571 . 1 . 1 48 48 VAL HG23 H 1 0.505 0.010 . . . . . . . 48 V QG2 . 52600 1
572 . 1 . 1 48 48 VAL CA C 13 68.018 0.000 . . . . . . . 48 V CA . 52600 1
573 . 1 . 1 48 48 VAL CB C 13 31.206 0.000 . . . . . . . 48 V CB . 52600 1
574 . 1 . 1 48 48 VAL CG1 C 13 22.117 0.000 . . . . . . . 48 V CG1 . 52600 1
575 . 1 . 1 48 48 VAL CG2 C 13 22.089 0.010 . . . . . . . 48 V CG2 . 52600 1
576 . 1 . 1 48 48 VAL N N 15 122.079 0.000 . . . . . . . 48 V N . 52600 1
577 . 1 . 1 49 49 ASP H H 1 8.328 0.000 . . . . . . . 49 D H . 52600 1
578 . 1 . 1 49 49 ASP HA H 1 4.293 0.000 . . . . . . . 49 D HA . 52600 1
579 . 1 . 1 49 49 ASP HB2 H 1 2.666 0.000 . . . . . . . 49 D HB2 . 52600 1
580 . 1 . 1 49 49 ASP HB3 H 1 2.799 0.000 . . . . . . . 49 D HB3 . 52600 1
581 . 1 . 1 49 49 ASP CA C 13 57.864 0.000 . . . . . . . 49 D CA . 52600 1
582 . 1 . 1 49 49 ASP CB C 13 41.036 0.000 . . . . . . . 49 D CB . 52600 1
583 . 1 . 1 49 49 ASP N N 15 117.318 0.000 . . . . . . . 49 D N . 52600 1
584 . 1 . 1 50 50 SER H H 1 7.762 0.000 . . . . . . . 50 S H . 52600 1
585 . 1 . 1 50 50 SER HA H 1 4.241 0.000 . . . . . . . 50 S HA . 52600 1
586 . 1 . 1 50 50 SER HB2 H 1 4.027 0.000 . . . . . . . 50 S HB2 . 52600 1
587 . 1 . 1 50 50 SER HB3 H 1 4.059 0.000 . . . . . . . 50 S HB3 . 52600 1
588 . 1 . 1 50 50 SER CA C 13 61.543 0.000 . . . . . . . 50 S CA . 52600 1
589 . 1 . 1 50 50 SER CB C 13 63.052 0.000 . . . . . . . 50 S CB . 52600 1
590 . 1 . 1 50 50 SER N N 15 114.242 0.000 . . . . . . . 50 S N . 52600 1
591 . 1 . 1 51 51 LEU H H 1 8.605 0.000 . . . . . . . 51 L H . 52600 1
592 . 1 . 1 51 51 LEU HA H 1 4.190 0.010 . . . . . . . 51 L HA . 52600 1
593 . 1 . 1 51 51 LEU HB2 H 1 1.275 0.010 . . . . . . . 51 L HB2 . 52600 1
594 . 1 . 1 51 51 LEU HB3 H 1 2.017 0.000 . . . . . . . 51 L HB3 . 52600 1
595 . 1 . 1 51 51 LEU HG H 1 0.722 0.000 . . . . . . . 51 L HG . 52600 1
596 . 1 . 1 51 51 LEU HD11 H 1 0.904 0.000 . . . . . . . 51 L QD1 . 52600 1
597 . 1 . 1 51 51 LEU HD12 H 1 0.904 0.000 . . . . . . . 51 L QD1 . 52600 1
598 . 1 . 1 51 51 LEU HD13 H 1 0.904 0.000 . . . . . . . 51 L QD1 . 52600 1
599 . 1 . 1 51 51 LEU HD21 H 1 0.884 0.000 . . . . . . . 51 L QD2 . 52600 1
600 . 1 . 1 51 51 LEU HD22 H 1 0.884 0.000 . . . . . . . 51 L QD2 . 52600 1
601 . 1 . 1 51 51 LEU HD23 H 1 0.884 0.000 . . . . . . . 51 L QD2 . 52600 1
602 . 1 . 1 51 51 LEU CA C 13 57.864 0.000 . . . . . . . 51 L CA . 52600 1
603 . 1 . 1 51 51 LEU CB C 13 42.257 0.000 . . . . . . . 51 L CB . 52600 1
604 . 1 . 1 51 51 LEU CG C 13 26.857 0.000 . . . . . . . 51 L CG . 52600 1
605 . 1 . 1 51 51 LEU CD1 C 13 23.040 0.000 . . . . . . . 51 L CD1 . 52600 1
606 . 1 . 1 51 51 LEU CD2 C 13 23.338 0.000 . . . . . . . 51 L CD2 . 52600 1
607 . 1 . 1 51 51 LEU N N 15 123.553 0.000 . . . . . . . 51 L N . 52600 1
608 . 1 . 1 52 52 LEU H H 1 8.872 0.000 . . . . . . . 52 L H . 52600 1
609 . 1 . 1 52 52 LEU HA H 1 4.134 0.000 . . . . . . . 52 L HA . 52600 1
610 . 1 . 1 52 52 LEU HB2 H 1 1.744 0.000 . . . . . . . 52 L HB2 . 52600 1
611 . 1 . 1 52 52 LEU HB3 H 1 2.018 0.000 . . . . . . . 52 L HB3 . 52600 1
612 . 1 . 1 52 52 LEU HG H 1 1.108 0.010 . . . . . . . 52 L HG . 52600 1
613 . 1 . 1 52 52 LEU HD11 H 1 1.140 0.000 . . . . . . . 52 L QD1 . 52600 1
614 . 1 . 1 52 52 LEU HD12 H 1 1.140 0.000 . . . . . . . 52 L QD1 . 52600 1
615 . 1 . 1 52 52 LEU HD13 H 1 1.140 0.000 . . . . . . . 52 L QD1 . 52600 1
616 . 1 . 1 52 52 LEU HD21 H 1 1.150 0.000 . . . . . . . 52 L QD2 . 52600 1
617 . 1 . 1 52 52 LEU HD22 H 1 1.150 0.000 . . . . . . . 52 L QD2 . 52600 1
618 . 1 . 1 52 52 LEU HD23 H 1 1.150 0.000 . . . . . . . 52 L QD2 . 52600 1
619 . 1 . 1 52 52 LEU CA C 13 58.367 0.000 . . . . . . . 52 L CA . 52600 1
620 . 1 . 1 52 52 LEU CB C 13 41.697 0.000 . . . . . . . 52 L CB . 52600 1
621 . 1 . 1 52 52 LEU CG C 13 26.085 0.010 . . . . . . . 52 L CG . 52600 1
622 . 1 . 1 52 52 LEU CD1 C 13 24.796 0.000 . . . . . . . 52 L CD1 . 52600 1
623 . 1 . 1 52 52 LEU CD2 C 13 24.799 0.010 . . . . . . . 52 L CD2 . 52600 1
624 . 1 . 1 52 52 LEU N N 15 120.598 0.000 . . . . . . . 52 L N . 52600 1
625 . 1 . 1 53 53 LYS H H 1 7.546 0.000 . . . . . . . 53 K H . 52600 1
626 . 1 . 1 53 53 LYS HA H 1 4.165 0.000 . . . . . . . 53 K HA . 52600 1
627 . 1 . 1 53 53 LYS HB2 H 1 1.992 0.000 . . . . . . . 53 K HB2 . 52600 1
628 . 1 . 1 53 53 LYS HB3 H 1 1.999 0.000 . . . . . . . 53 K HB3 . 52600 1
629 . 1 . 1 53 53 LYS HG2 H 1 1.500 0.010 . . . . . . . 53 K HG2 . 52600 1
630 . 1 . 1 53 53 LYS HG3 H 1 1.721 0.000 . . . . . . . 53 K HG3 . 52600 1
631 . 1 . 1 53 53 LYS HD2 H 1 1.500 0.010 . . . . . . . 53 K HD2 . 52600 1
632 . 1 . 1 53 53 LYS HD3 H 1 1.728 0.000 . . . . . . . 53 K HD3 . 52600 1
633 . 1 . 1 53 53 LYS HE2 H 1 2.994 0.000 . . . . . . . 53 K HE2 . 52600 1
634 . 1 . 1 53 53 LYS HE3 H 1 3.012 0.000 . . . . . . . 53 K HE3 . 52600 1
635 . 1 . 1 53 53 LYS CA C 13 59.770 0.000 . . . . . . . 53 K CA . 52600 1
636 . 1 . 1 53 53 LYS CB C 13 32.513 0.000 . . . . . . . 53 K CB . 52600 1
637 . 1 . 1 53 53 LYS CG C 13 25.506 0.000 . . . . . . . 53 K CG . 52600 1
638 . 1 . 1 53 53 LYS CD C 13 29.442 0.000 . . . . . . . 53 K CD . 52600 1
639 . 1 . 1 53 53 LYS CE C 13 42.111 0.000 . . . . . . . 53 K CE . 52600 1
640 . 1 . 1 53 53 LYS N N 15 117.839 0.000 . . . . . . . 53 K N . 52600 1
641 . 1 . 1 54 54 GLN H H 1 7.672 0.000 . . . . . . . 54 Q H . 52600 1
642 . 1 . 1 54 54 GLN HA H 1 4.142 0.010 . . . . . . . 54 Q HA . 52600 1
643 . 1 . 1 54 54 GLN HB2 H 1 1.724 0.010 . . . . . . . 54 Q HB2 . 52600 1
644 . 1 . 1 54 54 GLN HB3 H 1 2.239 0.000 . . . . . . . 54 Q HB3 . 52600 1
645 . 1 . 1 54 54 GLN HG2 H 1 1.744 0.000 . . . . . . . 54 Q HG2 . 52600 1
646 . 1 . 1 54 54 GLN HG3 H 1 2.533 0.000 . . . . . . . 54 Q HG3 . 52600 1
647 . 1 . 1 54 54 GLN HE21 H 1 7.360 0.000 . . . . . . . 54 Q HE21 . 52600 1
648 . 1 . 1 54 54 GLN HE22 H 1 7.535 0.010 . . . . . . . 54 Q HE22 . 52600 1
649 . 1 . 1 54 54 GLN CA C 13 59.166 0.000 . . . . . . . 54 Q CA . 52600 1
650 . 1 . 1 54 54 GLN CB C 13 29.502 0.000 . . . . . . . 54 Q CB . 52600 1
651 . 1 . 1 54 54 GLN CG C 13 34.620 0.000 . . . . . . . 54 Q CG . 52600 1
652 . 1 . 1 54 54 GLN N N 15 120.584 0.000 . . . . . . . 54 Q N . 52600 1
653 . 1 . 1 54 54 GLN NE2 N 15 117.483 0.000 . . . . . . . 54 Q NE2 . 52600 1
654 . 1 . 1 55 55 LEU H H 1 8.721 0.000 . . . . . . . 55 L H . 52600 1
655 . 1 . 1 55 55 LEU HA H 1 3.900 0.000 . . . . . . . 55 L HA . 52600 1
656 . 1 . 1 55 55 LEU HB2 H 1 1.358 0.000 . . . . . . . 55 L HB2 . 52600 1
657 . 1 . 1 55 55 LEU HB3 H 1 1.363 0.010 . . . . . . . 55 L HB3 . 52600 1
658 . 1 . 1 55 55 LEU HG H 1 1.067 0.000 . . . . . . . 55 L HG . 52600 1
659 . 1 . 1 55 55 LEU HD11 H 1 1.051 0.010 . . . . . . . 55 L QD1 . 52600 1
660 . 1 . 1 55 55 LEU HD12 H 1 1.051 0.010 . . . . . . . 55 L QD1 . 52600 1
661 . 1 . 1 55 55 LEU HD13 H 1 1.051 0.010 . . . . . . . 55 L QD1 . 52600 1
662 . 1 . 1 55 55 LEU HD21 H 1 1.055 0.000 . . . . . . . 55 L QD2 . 52600 1
663 . 1 . 1 55 55 LEU HD22 H 1 1.055 0.000 . . . . . . . 55 L QD2 . 52600 1
664 . 1 . 1 55 55 LEU HD23 H 1 1.055 0.000 . . . . . . . 55 L QD2 . 52600 1
665 . 1 . 1 55 55 LEU CA C 13 58.756 0.000 . . . . . . . 55 L CA . 52600 1
666 . 1 . 1 55 55 LEU CB C 13 42.052 0.000 . . . . . . . 55 L CB . 52600 1
667 . 1 . 1 55 55 LEU CG C 13 26.840 0.000 . . . . . . . 55 L CG . 52600 1
668 . 1 . 1 55 55 LEU CD1 C 13 24.822 0.000 . . . . . . . 55 L CD1 . 52600 1
669 . 1 . 1 55 55 LEU CD2 C 13 24.901 0.010 . . . . . . . 55 L CD2 . 52600 1
670 . 1 . 1 55 55 LEU N N 15 121.683 0.000 . . . . . . . 55 L N . 52600 1
671 . 1 . 1 56 56 ASP H H 1 8.426 0.000 . . . . . . . 56 D H . 52600 1
672 . 1 . 1 56 56 ASP HA H 1 4.400 0.000 . . . . . . . 56 D HA . 52600 1
673 . 1 . 1 56 56 ASP HB2 H 1 2.656 0.000 . . . . . . . 56 D HB2 . 52600 1
674 . 1 . 1 56 56 ASP HB3 H 1 2.877 0.000 . . . . . . . 56 D HB3 . 52600 1
675 . 1 . 1 56 56 ASP CA C 13 57.413 0.000 . . . . . . . 56 D CA . 52600 1
676 . 1 . 1 56 56 ASP CB C 13 41.186 0.000 . . . . . . . 56 D CB . 52600 1
677 . 1 . 1 56 56 ASP N N 15 119.483 0.000 . . . . . . . 56 D N . 52600 1
678 . 1 . 1 57 57 ALA H H 1 7.732 0.000 . . . . . . . 57 A H . 52600 1
679 . 1 . 1 57 57 ALA HA H 1 4.236 0.010 . . . . . . . 57 A HA . 52600 1
680 . 1 . 1 57 57 ALA HB1 H 1 1.556 0.000 . . . . . . . 57 A HB# . 52600 1
681 . 1 . 1 57 57 ALA HB2 H 1 1.556 0.000 . . . . . . . 57 A HB# . 52600 1
682 . 1 . 1 57 57 ALA HB3 H 1 1.556 0.000 . . . . . . . 57 A HB# . 52600 1
683 . 1 . 1 57 57 ALA CA C 13 54.967 0.010 . . . . . . . 57 A CA . 52600 1
684 . 1 . 1 57 57 ALA CB C 13 17.917 0.000 . . . . . . . 57 A CB . 52600 1
685 . 1 . 1 57 57 ALA N N 15 122.462 0.000 . . . . . . . 57 A N . 52600 1
686 . 1 . 1 58 58 ASN H H 1 8.114 0.000 . . . . . . . 58 N H . 52600 1
687 . 1 . 1 58 58 ASN HA H 1 4.557 0.000 . . . . . . . 58 N HA . 52600 1
688 . 1 . 1 58 58 ASN HB2 H 1 2.590 0.000 . . . . . . . 58 N HB2 . 52600 1
689 . 1 . 1 58 58 ASN HB3 H 1 3.130 0.000 . . . . . . . 58 N HB3 . 52600 1
690 . 1 . 1 58 58 ASN HD21 H 1 8.113 0.000 . . . . . . . 58 N HD21 . 52600 1
691 . 1 . 1 58 58 ASN HD22 H 1 8.116 0.000 . . . . . . . 58 N HD22 . 52600 1
692 . 1 . 1 58 58 ASN CA C 13 54.851 0.000 . . . . . . . 58 N CA . 52600 1
693 . 1 . 1 58 58 ASN CB C 13 38.045 0.000 . . . . . . . 58 N CB . 52600 1
694 . 1 . 1 58 58 ASN N N 15 118.075 0.000 . . . . . . . 58 N N . 52600 1
695 . 1 . 1 58 58 ASN ND2 N 15 118.092 0.000 . . . . . . . 58 N ND2 . 52600 1
696 . 1 . 1 59 59 ALA H H 1 9.191 0.000 . . . . . . . 59 A H . 52600 1
697 . 1 . 1 59 59 ALA HA H 1 4.012 0.000 . . . . . . . 59 A HA . 52600 1
698 . 1 . 1 59 59 ALA HB1 H 1 1.910 0.000 . . . . . . . 59 A HB# . 52600 1
699 . 1 . 1 59 59 ALA HB2 H 1 1.910 0.000 . . . . . . . 59 A HB# . 52600 1
700 . 1 . 1 59 59 ALA HB3 H 1 1.910 0.000 . . . . . . . 59 A HB# . 52600 1
701 . 1 . 1 59 59 ALA CA C 13 56.104 0.000 . . . . . . . 59 A CA . 52600 1
702 . 1 . 1 59 59 ALA CB C 13 18.659 0.000 . . . . . . . 59 A CB . 52600 1
703 . 1 . 1 59 59 ALA N N 15 125.055 0.000 . . . . . . . 59 A N . 52600 1
704 . 1 . 1 60 60 ALA H H 1 7.649 0.000 . . . . . . . 60 A H . 52600 1
705 . 1 . 1 60 60 ALA HA H 1 4.300 0.010 . . . . . . . 60 A HA . 52600 1
706 . 1 . 1 60 60 ALA HB1 H 1 1.560 0.000 . . . . . . . 60 A HB# . 52600 1
707 . 1 . 1 60 60 ALA HB2 H 1 1.560 0.000 . . . . . . . 60 A HB# . 52600 1
708 . 1 . 1 60 60 ALA HB3 H 1 1.560 0.000 . . . . . . . 60 A HB# . 52600 1
709 . 1 . 1 60 60 ALA CA C 13 55.157 0.000 . . . . . . . 60 A CA . 52600 1
710 . 1 . 1 60 60 ALA CB C 13 18.000 0.000 . . . . . . . 60 A CB . 52600 1
711 . 1 . 1 60 60 ALA N N 15 119.519 0.000 . . . . . . . 60 A N . 52600 1
712 . 1 . 1 61 61 ARG H H 1 7.164 0.000 . . . . . . . 61 R H . 52600 1
713 . 1 . 1 61 61 ARG HA H 1 4.129 0.000 . . . . . . . 61 R HA . 52600 1
714 . 1 . 1 61 61 ARG HB2 H 1 1.983 0.000 . . . . . . . 61 R HB2 . 52600 1
715 . 1 . 1 61 61 ARG HB3 H 1 1.988 0.000 . . . . . . . 61 R HB3 . 52600 1
716 . 1 . 1 61 61 ARG HG2 H 1 1.717 0.010 . . . . . . . 61 R HG2 . 52600 1
717 . 1 . 1 61 61 ARG HG3 H 1 1.750 0.000 . . . . . . . 61 R HG3 . 52600 1
718 . 1 . 1 61 61 ARG HD2 H 1 3.137 0.000 . . . . . . . 61 R HD2 . 52600 1
719 . 1 . 1 61 61 ARG HD3 H 1 3.359 0.000 . . . . . . . 61 R HD3 . 52600 1
720 . 1 . 1 61 61 ARG HE H 1 7.169 0.010 . . . . . . . 61 R HE . 52600 1
721 . 1 . 1 61 61 ARG CA C 13 58.360 0.000 . . . . . . . 61 R CA . 52600 1
722 . 1 . 1 61 61 ARG CB C 13 30.076 0.000 . . . . . . . 61 R CB . 52600 1
723 . 1 . 1 61 61 ARG CG C 13 27.307 0.000 . . . . . . . 61 R CG . 52600 1
724 . 1 . 1 61 61 ARG CD C 13 43.356 0.000 . . . . . . . 61 R CD . 52600 1
725 . 1 . 1 61 61 ARG N N 15 117.246 0.000 . . . . . . . 61 R N . 52600 1
726 . 1 . 1 62 62 VAL H H 1 7.954 0.000 . . . . . . . 62 V H . 52600 1
727 . 1 . 1 62 62 VAL HA H 1 2.907 0.000 . . . . . . . 62 V HA . 52600 1
728 . 1 . 1 62 62 VAL HB H 1 1.982 0.000 . . . . . . . 62 V HB . 52600 1
729 . 1 . 1 62 62 VAL HG11 H 1 0.752 0.000 . . . . . . . 62 V QG1 . 52600 1
730 . 1 . 1 62 62 VAL HG12 H 1 0.752 0.000 . . . . . . . 62 V QG1 . 52600 1
731 . 1 . 1 62 62 VAL HG13 H 1 0.752 0.000 . . . . . . . 62 V QG1 . 52600 1
732 . 1 . 1 62 62 VAL HG21 H 1 0.734 0.000 . . . . . . . 62 V QG2 . 52600 1
733 . 1 . 1 62 62 VAL HG22 H 1 0.734 0.000 . . . . . . . 62 V QG2 . 52600 1
734 . 1 . 1 62 62 VAL HG23 H 1 0.734 0.000 . . . . . . . 62 V QG2 . 52600 1
735 . 1 . 1 62 62 VAL CA C 13 66.466 0.000 . . . . . . . 62 V CA . 52600 1
736 . 1 . 1 62 62 VAL CB C 13 30.237 0.000 . . . . . . . 62 V CB . 52600 1
737 . 1 . 1 62 62 VAL CG1 C 13 23.739 0.010 . . . . . . . 62 V CG1 . 52600 1
738 . 1 . 1 62 62 VAL CG2 C 13 23.914 0.010 . . . . . . . 62 V CG2 . 52600 1
739 . 1 . 1 62 62 VAL N N 15 119.948 0.000 . . . . . . . 62 V N . 52600 1
740 . 1 . 1 63 63 GLU H H 1 8.326 0.000 . . . . . . . 63 E H . 52600 1
741 . 1 . 1 63 63 GLU HA H 1 3.159 0.000 . . . . . . . 63 E HA . 52600 1
742 . 1 . 1 63 63 GLU HB2 H 1 1.990 0.010 . . . . . . . 63 E HB2 . 52600 1
743 . 1 . 1 63 63 GLU HB3 H 1 2.175 0.010 . . . . . . . 63 E HB3 . 52600 1
744 . 1 . 1 63 63 GLU HG2 H 1 2.172 0.010 . . . . . . . 63 E HG2 . 52600 1
745 . 1 . 1 63 63 GLU HG3 H 1 2.177 0.010 . . . . . . . 63 E HG3 . 52600 1
746 . 1 . 1 63 63 GLU CA C 13 60.147 0.000 . . . . . . . 63 E CA . 52600 1
747 . 1 . 1 63 63 GLU CB C 13 30.018 0.000 . . . . . . . 63 E CB . 52600 1
748 . 1 . 1 63 63 GLU CG C 13 36.395 0.000 . . . . . . . 63 E CG . 52600 1
749 . 1 . 1 63 63 GLU N N 15 119.705 0.000 . . . . . . . 63 E N . 52600 1
750 . 1 . 1 64 64 GLN H H 1 7.150 0.000 . . . . . . . 64 Q H . 52600 1
751 . 1 . 1 64 64 GLN HA H 1 3.973 0.000 . . . . . . . 64 Q HA . 52600 1
752 . 1 . 1 64 64 GLN HB2 H 1 2.098 0.010 . . . . . . . 64 Q HB2 . 52600 1
753 . 1 . 1 64 64 GLN HB3 H 1 2.116 0.010 . . . . . . . 64 Q HB3 . 52600 1
754 . 1 . 1 64 64 GLN HG2 H 1 2.369 0.000 . . . . . . . 64 Q HG2 . 52600 1
755 . 1 . 1 64 64 GLN HG3 H 1 2.530 0.010 . . . . . . . 64 Q HG3 . 52600 1
756 . 1 . 1 64 64 GLN HE21 H 1 7.152 0.010 . . . . . . . 64 Q HE21 . 52600 1
757 . 1 . 1 64 64 GLN HE22 H 1 7.153 0.010 . . . . . . . 64 Q HE22 . 52600 1
758 . 1 . 1 64 64 GLN CA C 13 58.818 0.000 . . . . . . . 64 Q CA . 52600 1
759 . 1 . 1 64 64 GLN CB C 13 28.769 0.000 . . . . . . . 64 Q CB . 52600 1
760 . 1 . 1 64 64 GLN CG C 13 33.955 0.000 . . . . . . . 64 Q CG . 52600 1
761 . 1 . 1 64 64 GLN N N 15 115.610 0.000 . . . . . . . 64 Q N . 52600 1
762 . 1 . 1 64 64 GLN NE2 N 15 115.680 0.010 . . . . . . . 64 Q NE2 . 52600 1
763 . 1 . 1 65 65 LEU H H 1 7.753 0.000 . . . . . . . 65 L H . 52600 1
764 . 1 . 1 65 65 LEU HA H 1 3.896 0.000 . . . . . . . 65 L HA . 52600 1
765 . 1 . 1 65 65 LEU HB2 H 1 1.598 0.000 . . . . . . . 65 L HB2 . 52600 1
766 . 1 . 1 65 65 LEU HB3 H 1 1.605 0.000 . . . . . . . 65 L HB3 . 52600 1
767 . 1 . 1 65 65 LEU HG H 1 1.296 0.010 . . . . . . . 65 L HG . 52600 1
768 . 1 . 1 65 65 LEU HD11 H 1 0.744 0.010 . . . . . . . 65 L QD1 . 52600 1
769 . 1 . 1 65 65 LEU HD12 H 1 0.744 0.010 . . . . . . . 65 L QD1 . 52600 1
770 . 1 . 1 65 65 LEU HD13 H 1 0.744 0.010 . . . . . . . 65 L QD1 . 52600 1
771 . 1 . 1 65 65 LEU HD21 H 1 0.756 0.010 . . . . . . . 65 L QD2 . 52600 1
772 . 1 . 1 65 65 LEU HD22 H 1 0.756 0.010 . . . . . . . 65 L QD2 . 52600 1
773 . 1 . 1 65 65 LEU HD23 H 1 0.756 0.010 . . . . . . . 65 L QD2 . 52600 1
774 . 1 . 1 65 65 LEU CA C 13 58.266 0.000 . . . . . . . 65 L CA . 52600 1
775 . 1 . 1 65 65 LEU CB C 13 42.004 0.000 . . . . . . . 65 L CB . 52600 1
776 . 1 . 1 65 65 LEU CG C 13 26.059 0.010 . . . . . . . 65 L CG . 52600 1
777 . 1 . 1 65 65 LEU CD1 C 13 23.762 0.010 . . . . . . . 65 L CD1 . 52600 1
778 . 1 . 1 65 65 LEU CD2 C 13 25.898 0.010 . . . . . . . 65 L CD2 . 52600 1
779 . 1 . 1 65 65 LEU N N 15 119.891 0.000 . . . . . . . 65 L N . 52600 1
780 . 1 . 1 66 66 LEU H H 1 8.304 0.000 . . . . . . . 66 L H . 52600 1
781 . 1 . 1 66 66 LEU HA H 1 3.695 0.000 . . . . . . . 66 L HA . 52600 1
782 . 1 . 1 66 66 LEU HB2 H 1 0.924 0.000 . . . . . . . 66 L HB2 . 52600 1
783 . 1 . 1 66 66 LEU HB3 H 1 1.543 0.000 . . . . . . . 66 L HB3 . 52600 1
784 . 1 . 1 66 66 LEU HG H 1 1.155 0.000 . . . . . . . 66 L HG . 52600 1
785 . 1 . 1 66 66 LEU HD11 H 1 0.251 0.000 . . . . . . . 66 L QD1 . 52600 1
786 . 1 . 1 66 66 LEU HD12 H 1 0.251 0.000 . . . . . . . 66 L QD1 . 52600 1
787 . 1 . 1 66 66 LEU HD13 H 1 0.251 0.000 . . . . . . . 66 L QD1 . 52600 1
788 . 1 . 1 66 66 LEU HD21 H 1 0.248 0.000 . . . . . . . 66 L QD2 . 52600 1
789 . 1 . 1 66 66 LEU HD22 H 1 0.248 0.000 . . . . . . . 66 L QD2 . 52600 1
790 . 1 . 1 66 66 LEU HD23 H 1 0.248 0.000 . . . . . . . 66 L QD2 . 52600 1
791 . 1 . 1 66 66 LEU CA C 13 58.124 0.000 . . . . . . . 66 L CA . 52600 1
792 . 1 . 1 66 66 LEU CB C 13 40.621 0.000 . . . . . . . 66 L CB . 52600 1
793 . 1 . 1 66 66 LEU CG C 13 24.899 0.010 . . . . . . . 66 L CG . 52600 1
794 . 1 . 1 66 66 LEU CD1 C 13 21.822 0.000 . . . . . . . 66 L CD1 . 52600 1
795 . 1 . 1 66 66 LEU CD2 C 13 21.969 0.000 . . . . . . . 66 L CD2 . 52600 1
796 . 1 . 1 66 66 LEU N N 15 116.625 0.000 . . . . . . . 66 L N . 52600 1
797 . 1 . 1 67 67 GLN H H 1 7.752 0.000 . . . . . . . 67 Q H . 52600 1
798 . 1 . 1 67 67 GLN HA H 1 3.896 0.000 . . . . . . . 67 Q HA . 52600 1
799 . 1 . 1 67 67 GLN HB2 H 1 2.076 0.010 . . . . . . . 67 Q HB2 . 52600 1
800 . 1 . 1 67 67 GLN HB3 H 1 2.103 0.000 . . . . . . . 67 Q HB3 . 52600 1
801 . 1 . 1 67 67 GLN HG2 H 1 2.379 0.000 . . . . . . . 67 Q HG2 . 52600 1
802 . 1 . 1 67 67 GLN HG3 H 1 2.527 0.010 . . . . . . . 67 Q HG3 . 52600 1
803 . 1 . 1 67 67 GLN HE21 H 1 6.771 0.010 . . . . . . . 67 Q HE21 . 52600 1
804 . 1 . 1 67 67 GLN HE22 H 1 7.602 0.010 . . . . . . . 67 Q HE22 . 52600 1
805 . 1 . 1 67 67 GLN CA C 13 58.956 0.000 . . . . . . . 67 Q CA . 52600 1
806 . 1 . 1 67 67 GLN CB C 13 28.016 0.000 . . . . . . . 67 Q CB . 52600 1
807 . 1 . 1 67 67 GLN CG C 13 33.998 0.000 . . . . . . . 67 Q CG . 52600 1
808 . 1 . 1 67 67 GLN N N 15 115.902 0.000 . . . . . . . 67 Q N . 52600 1
809 . 1 . 1 67 67 GLN NE2 N 15 111.549 0.000 . . . . . . . 67 Q NE2 . 52600 1
810 . 1 . 1 68 68 ARG H H 1 7.742 0.000 . . . . . . . 68 R H . 52600 1
811 . 1 . 1 68 68 ARG HA H 1 3.934 0.000 . . . . . . . 68 R HA . 52600 1
812 . 1 . 1 68 68 ARG HB2 H 1 1.857 0.000 . . . . . . . 68 R HB2 . 52600 1
813 . 1 . 1 68 68 ARG HB3 H 1 1.992 0.010 . . . . . . . 68 R HB3 . 52600 1
814 . 1 . 1 68 68 ARG HG2 H 1 1.602 0.010 . . . . . . . 68 R HG2 . 52600 1
815 . 1 . 1 68 68 ARG HG3 H 1 1.602 0.010 . . . . . . . 68 R HG3 . 52600 1
816 . 1 . 1 68 68 ARG HD2 H 1 2.666 0.010 . . . . . . . 68 R HD2 . 52600 1
817 . 1 . 1 68 68 ARG HD3 H 1 2.880 0.010 . . . . . . . 68 R HD3 . 52600 1
818 . 1 . 1 68 68 ARG HE H 1 7.753 0.010 . . . . . . . 68 R HE . 52600 1
819 . 1 . 1 68 68 ARG CA C 13 60.319 0.000 . . . . . . . 68 R CA . 52600 1
820 . 1 . 1 68 68 ARG CB C 13 30.294 0.000 . . . . . . . 68 R CB . 52600 1
821 . 1 . 1 68 68 ARG CG C 13 26.004 0.000 . . . . . . . 68 R CG . 52600 1
822 . 1 . 1 68 68 ARG CD C 13 41.168 0.010 . . . . . . . 68 R CD . 52600 1
823 . 1 . 1 68 68 ARG N N 15 120.948 0.000 . . . . . . . 68 R N . 52600 1
824 . 1 . 1 69 69 ILE H H 1 8.457 0.000 . . . . . . . 69 I H . 52600 1
825 . 1 . 1 69 69 ILE HA H 1 3.924 0.000 . . . . . . . 69 I HA . 52600 1
826 . 1 . 1 69 69 ILE HB H 1 1.814 0.000 . . . . . . . 69 I HB . 52600 1
827 . 1 . 1 69 69 ILE HG12 H 1 1.219 0.000 . . . . . . . 69 I HG12 . 52600 1
828 . 1 . 1 69 69 ILE HG13 H 1 2.137 0.010 . . . . . . . 69 I HG13 . 52600 1
829 . 1 . 1 69 69 ILE HG21 H 1 0.982 0.000 . . . . . . . 69 I QG2 . 52600 1
830 . 1 . 1 69 69 ILE HG22 H 1 0.982 0.000 . . . . . . . 69 I QG2 . 52600 1
831 . 1 . 1 69 69 ILE HG23 H 1 0.982 0.000 . . . . . . . 69 I QG2 . 52600 1
832 . 1 . 1 69 69 ILE HD11 H 1 0.968 0.000 . . . . . . . 69 I QD1 . 52600 1
833 . 1 . 1 69 69 ILE HD12 H 1 0.968 0.000 . . . . . . . 69 I QD1 . 52600 1
834 . 1 . 1 69 69 ILE HD13 H 1 0.968 0.000 . . . . . . . 69 I QD1 . 52600 1
835 . 1 . 1 69 69 ILE CA C 13 65.941 0.000 . . . . . . . 69 I CA . 52600 1
836 . 1 . 1 69 69 ILE CB C 13 39.217 0.000 . . . . . . . 69 I CB . 52600 1
837 . 1 . 1 69 69 ILE CG1 C 13 29.368 0.000 . . . . . . . 69 I CG1 . 52600 1
838 . 1 . 1 69 69 ILE CG2 C 13 18.206 0.000 . . . . . . . 69 I CG2 . 52600 1
839 . 1 . 1 69 69 ILE CD1 C 13 13.604 0.000 . . . . . . . 69 I CD1 . 52600 1
840 . 1 . 1 69 69 ILE N N 15 119.855 0.000 . . . . . . . 69 I N . 52600 1
841 . 1 . 1 70 70 ILE H H 1 8.726 0.000 . . . . . . . 70 I H . 52600 1
842 . 1 . 1 70 70 ILE HA H 1 3.295 0.000 . . . . . . . 70 I HA . 52600 1
843 . 1 . 1 70 70 ILE HB H 1 1.738 0.000 . . . . . . . 70 I HB . 52600 1
844 . 1 . 1 70 70 ILE HG12 H 1 0.598 0.000 . . . . . . . 70 I HG12 . 52600 1
845 . 1 . 1 70 70 ILE HG13 H 1 1.656 0.010 . . . . . . . 70 I HG13 . 52600 1
846 . 1 . 1 70 70 ILE HG21 H 1 0.799 0.000 . . . . . . . 70 I QG2 . 52600 1
847 . 1 . 1 70 70 ILE HG22 H 1 0.799 0.000 . . . . . . . 70 I QG2 . 52600 1
848 . 1 . 1 70 70 ILE HG23 H 1 0.799 0.000 . . . . . . . 70 I QG2 . 52600 1
849 . 1 . 1 70 70 ILE HD11 H 1 0.628 0.000 . . . . . . . 70 I QD1 . 52600 1
850 . 1 . 1 70 70 ILE HD12 H 1 0.628 0.000 . . . . . . . 70 I QD1 . 52600 1
851 . 1 . 1 70 70 ILE HD13 H 1 0.628 0.000 . . . . . . . 70 I QD1 . 52600 1
852 . 1 . 1 70 70 ILE CA C 13 67.016 0.000 . . . . . . . 70 I CA . 52600 1
853 . 1 . 1 70 70 ILE CB C 13 38.275 0.000 . . . . . . . 70 I CB . 52600 1
854 . 1 . 1 70 70 ILE CG1 C 13 31.652 0.000 . . . . . . . 70 I CG1 . 52600 1
855 . 1 . 1 70 70 ILE CG2 C 13 17.388 0.000 . . . . . . . 70 I CG2 . 52600 1
856 . 1 . 1 70 70 ILE CD1 C 13 13.846 0.000 . . . . . . . 70 I CD1 . 52600 1
857 . 1 . 1 70 70 ILE N N 15 122.548 0.000 . . . . . . . 70 I N . 52600 1
858 . 1 . 1 71 71 SER H H 1 8.312 0.000 . . . . . . . 71 S H . 52600 1
859 . 1 . 1 71 71 SER HA H 1 4.144 0.010 . . . . . . . 71 S HA . 52600 1
860 . 1 . 1 71 71 SER HB2 H 1 4.014 0.010 . . . . . . . 71 S HB2 . 52600 1
861 . 1 . 1 71 71 SER HB3 H 1 4.028 0.010 . . . . . . . 71 S HB3 . 52600 1
862 . 1 . 1 71 71 SER CA C 13 61.999 0.010 . . . . . . . 71 S CA . 52600 1
863 . 1 . 1 71 71 SER CB C 13 63.005 0.000 . . . . . . . 71 S CB . 52600 1
864 . 1 . 1 71 71 SER N N 15 116.742 0.000 . . . . . . . 71 S N . 52600 1
865 . 1 . 1 72 72 GLU H H 1 8.243 0.000 . . . . . . . 72 E H . 52600 1
866 . 1 . 1 72 72 GLU HA H 1 4.268 0.000 . . . . . . . 72 E HA . 52600 1
867 . 1 . 1 72 72 GLU HB2 H 1 2.087 0.000 . . . . . . . 72 E HB2 . 52600 1
868 . 1 . 1 72 72 GLU HB3 H 1 2.115 0.000 . . . . . . . 72 E HB3 . 52600 1
869 . 1 . 1 72 72 GLU HG2 H 1 2.270 0.000 . . . . . . . 72 E HG2 . 52600 1
870 . 1 . 1 72 72 GLU HG3 H 1 2.420 0.000 . . . . . . . 72 E HG3 . 52600 1
871 . 1 . 1 72 72 GLU CA C 13 58.714 0.000 . . . . . . . 72 E CA . 52600 1
872 . 1 . 1 72 72 GLU CB C 13 31.075 0.000 . . . . . . . 72 E CB . 52600 1
873 . 1 . 1 72 72 GLU CG C 13 36.527 0.000 . . . . . . . 72 E CG . 52600 1
874 . 1 . 1 72 72 GLU N N 15 117.291 0.000 . . . . . . . 72 E N . 52600 1
875 . 1 . 1 73 73 THR H H 1 8.055 0.000 . . . . . . . 73 T H . 52600 1
876 . 1 . 1 73 73 THR HA H 1 4.743 0.010 . . . . . . . 73 T HA . 52600 1
877 . 1 . 1 73 73 THR HB H 1 4.287 0.000 . . . . . . . 73 T HB . 52600 1
878 . 1 . 1 73 73 THR HG21 H 1 1.216 0.000 . . . . . . . 73 T QG2 . 52600 1
879 . 1 . 1 73 73 THR HG22 H 1 1.216 0.000 . . . . . . . 73 T QG2 . 52600 1
880 . 1 . 1 73 73 THR HG23 H 1 1.216 0.000 . . . . . . . 73 T QG2 . 52600 1
881 . 1 . 1 73 73 THR CA C 13 62.075 0.000 . . . . . . . 73 T CA . 52600 1
882 . 1 . 1 73 73 THR CB C 13 72.762 0.000 . . . . . . . 73 T CB . 52600 1
883 . 1 . 1 73 73 THR CG2 C 13 21.669 0.000 . . . . . . . 73 T CG2 . 52600 1
884 . 1 . 1 73 73 THR N N 15 128.380 0.000 . . . . . . . 73 T N . 52600 1
885 . 1 . 1 74 74 GLY H H 1 8.605 0.000 . . . . . . . 74 G H . 52600 1
886 . 1 . 1 74 74 GLY HA2 H 1 3.808 0.000 . . . . . . . 74 G HA2 . 52600 1
887 . 1 . 1 74 74 GLY HA3 H 1 4.010 0.000 . . . . . . . 74 G HA3 . 52600 1
888 . 1 . 1 74 74 GLY CA C 13 46.584 0.000 . . . . . . . 74 G CA . 52600 1
889 . 1 . 1 74 74 GLY N N 15 112.703 0.000 . . . . . . . 74 G N . 52600 1
890 . 1 . 1 75 75 ASP H H 1 7.312 0.000 . . . . . . . 75 D H . 52600 1
891 . 1 . 1 75 75 ASP HA H 1 4.265 0.000 . . . . . . . 75 D HA . 52600 1
892 . 1 . 1 75 75 ASP HB2 H 1 2.470 0.000 . . . . . . . 75 D HB2 . 52600 1
893 . 1 . 1 75 75 ASP HB3 H 1 2.811 0.000 . . . . . . . 75 D HB3 . 52600 1
894 . 1 . 1 75 75 ASP CA C 13 55.569 0.000 . . . . . . . 75 D CA . 52600 1
895 . 1 . 1 75 75 ASP CB C 13 43.150 0.000 . . . . . . . 75 D CB . 52600 1
896 . 1 . 1 75 75 ASP N N 15 118.084 0.000 . . . . . . . 75 D N . 52600 1
897 . 1 . 1 76 76 GLU H H 1 8.966 0.000 . . . . . . . 76 E H . 52600 1
898 . 1 . 1 76 76 GLU HA H 1 3.967 0.000 . . . . . . . 76 E HA . 52600 1
899 . 1 . 1 76 76 GLU HB2 H 1 2.098 0.010 . . . . . . . 76 E HB2 . 52600 1
900 . 1 . 1 76 76 GLU HB3 H 1 2.103 0.000 . . . . . . . 76 E HB3 . 52600 1
901 . 1 . 1 76 76 GLU HG2 H 1 2.379 0.010 . . . . . . . 76 E HG2 . 52600 1
902 . 1 . 1 76 76 GLU HG3 H 1 2.384 0.000 . . . . . . . 76 E HG3 . 52600 1
903 . 1 . 1 76 76 GLU CA C 13 59.376 0.000 . . . . . . . 76 E CA . 52600 1
904 . 1 . 1 76 76 GLU CB C 13 29.581 0.000 . . . . . . . 76 E CB . 52600 1
905 . 1 . 1 76 76 GLU CG C 13 36.008 0.000 . . . . . . . 76 E CG . 52600 1
906 . 1 . 1 76 76 GLU N N 15 127.794 0.000 . . . . . . . 76 E N . 52600 1
907 . 1 . 1 77 77 LEU H H 1 8.317 0.000 . . . . . . . 77 L H . 52600 1
908 . 1 . 1 77 77 LEU HA H 1 4.107 0.000 . . . . . . . 77 L HA . 52600 1
909 . 1 . 1 77 77 LEU HB2 H 1 1.515 0.000 . . . . . . . 77 L HB2 . 52600 1
910 . 1 . 1 77 77 LEU HB3 H 1 2.182 0.000 . . . . . . . 77 L HB3 . 52600 1
911 . 1 . 1 77 77 LEU HG H 1 1.789 0.000 . . . . . . . 77 L HG . 52600 1
912 . 1 . 1 77 77 LEU HD11 H 1 0.924 0.000 . . . . . . . 77 L QD1 . 52600 1
913 . 1 . 1 77 77 LEU HD12 H 1 0.924 0.000 . . . . . . . 77 L QD1 . 52600 1
914 . 1 . 1 77 77 LEU HD13 H 1 0.924 0.000 . . . . . . . 77 L QD1 . 52600 1
915 . 1 . 1 77 77 LEU HD21 H 1 0.986 0.000 . . . . . . . 77 L QD2 . 52600 1
916 . 1 . 1 77 77 LEU HD22 H 1 0.986 0.000 . . . . . . . 77 L QD2 . 52600 1
917 . 1 . 1 77 77 LEU HD23 H 1 0.986 0.000 . . . . . . . 77 L QD2 . 52600 1
918 . 1 . 1 77 77 LEU CA C 13 58.153 0.000 . . . . . . . 77 L CA . 52600 1
919 . 1 . 1 77 77 LEU CB C 13 40.588 0.000 . . . . . . . 77 L CB . 52600 1
920 . 1 . 1 77 77 LEU CG C 13 27.277 0.000 . . . . . . . 77 L CG . 52600 1
921 . 1 . 1 77 77 LEU CD1 C 13 22.915 0.000 . . . . . . . 77 L CD1 . 52600 1
922 . 1 . 1 77 77 LEU CD2 C 13 25.120 0.000 . . . . . . . 77 L CD2 . 52600 1
923 . 1 . 1 77 77 LEU N N 15 120.840 0.000 . . . . . . . 77 L N . 52600 1
924 . 1 . 1 78 78 ALA H H 1 7.286 0.000 . . . . . . . 78 A H . 52600 1
925 . 1 . 1 78 78 ALA HA H 1 3.022 0.000 . . . . . . . 78 A HA . 52600 1
926 . 1 . 1 78 78 ALA HB1 H 1 1.008 0.000 . . . . . . . 78 A HB# . 52600 1
927 . 1 . 1 78 78 ALA HB2 H 1 1.008 0.000 . . . . . . . 78 A HB# . 52600 1
928 . 1 . 1 78 78 ALA HB3 H 1 1.008 0.000 . . . . . . . 78 A HB# . 52600 1
929 . 1 . 1 78 78 ALA CA C 13 54.047 0.000 . . . . . . . 78 A CA . 52600 1
930 . 1 . 1 78 78 ALA CB C 13 18.740 0.000 . . . . . . . 78 A CB . 52600 1
931 . 1 . 1 78 78 ALA N N 15 121.036 0.000 . . . . . . . 78 A N . 52600 1
932 . 1 . 1 79 79 ARG H H 1 7.870 0.000 . . . . . . . 79 R H . 52600 1
933 . 1 . 1 79 79 ARG HA H 1 3.940 0.000 . . . . . . . 79 R HA . 52600 1
934 . 1 . 1 79 79 ARG HB2 H 1 1.851 0.000 . . . . . . . 79 R HB2 . 52600 1
935 . 1 . 1 79 79 ARG HB3 H 1 1.862 0.000 . . . . . . . 79 R HB3 . 52600 1
936 . 1 . 1 79 79 ARG HG2 H 1 1.554 0.000 . . . . . . . 79 R HG2 . 52600 1
937 . 1 . 1 79 79 ARG HG3 H 1 1.564 0.000 . . . . . . . 79 R HG3 . 52600 1
938 . 1 . 1 79 79 ARG HD2 H 1 3.153 0.000 . . . . . . . 79 R HD2 . 52600 1
939 . 1 . 1 79 79 ARG HD3 H 1 3.155 0.000 . . . . . . . 79 R HD3 . 52600 1
940 . 1 . 1 79 79 ARG HE H 1 7.767 0.010 . . . . . . . 79 R HE . 52600 1
941 . 1 . 1 79 79 ARG CA C 13 60.275 0.000 . . . . . . . 79 R CA . 52600 1
942 . 1 . 1 79 79 ARG CB C 13 30.125 0.000 . . . . . . . 79 R CB . 52600 1
943 . 1 . 1 79 79 ARG CG C 13 28.553 0.000 . . . . . . . 79 R CG . 52600 1
944 . 1 . 1 79 79 ARG CD C 13 43.689 0.000 . . . . . . . 79 R CD . 52600 1
945 . 1 . 1 79 79 ARG N N 15 116.486 0.000 . . . . . . . 79 R N . 52600 1
946 . 1 . 1 80 80 LYS H H 1 7.945 0.000 . . . . . . . 80 K H . 52600 1
947 . 1 . 1 80 80 LYS HA H 1 3.962 0.010 . . . . . . . 80 K HA . 52600 1
948 . 1 . 1 80 80 LYS HB2 H 1 1.738 0.010 . . . . . . . 80 K HB2 . 52600 1
949 . 1 . 1 80 80 LYS HB3 H 1 1.764 0.000 . . . . . . . 80 K HB3 . 52600 1
950 . 1 . 1 80 80 LYS HG2 H 1 1.492 0.010 . . . . . . . 80 K HG2 . 52600 1
951 . 1 . 1 80 80 LYS HG3 H 1 1.713 0.010 . . . . . . . 80 K HG3 . 52600 1
952 . 1 . 1 80 80 LYS HD2 H 1 1.109 0.010 . . . . . . . 80 K HD2 . 52600 1
953 . 1 . 1 80 80 LYS HD3 H 1 1.730 0.010 . . . . . . . 80 K HD3 . 52600 1
954 . 1 . 1 80 80 LYS HE2 H 1 3.023 0.010 . . . . . . . 80 K HE2 . 52600 1
955 . 1 . 1 80 80 LYS HE3 H 1 3.149 0.010 . . . . . . . 80 K HE3 . 52600 1
956 . 1 . 1 80 80 LYS CA C 13 60.017 0.010 . . . . . . . 80 K CA . 52600 1
957 . 1 . 1 80 80 LYS CB C 13 29.400 0.000 . . . . . . . 80 K CB . 52600 1
958 . 1 . 1 80 80 LYS CG C 13 25.450 0.000 . . . . . . . 80 K CG . 52600 1
959 . 1 . 1 80 80 LYS CD C 13 29.396 0.010 . . . . . . . 80 K CD . 52600 1
960 . 1 . 1 80 80 LYS CE C 13 43.909 0.010 . . . . . . . 80 K CE . 52600 1
961 . 1 . 1 80 80 LYS N N 15 121.742 0.000 . . . . . . . 80 K N . 52600 1
962 . 1 . 1 81 81 GLY H H 1 7.869 0.010 . . . . . . . 81 G H . 52600 1
963 . 1 . 1 81 81 GLY HA2 H 1 3.017 0.000 . . . . . . . 81 G HA2 . 52600 1
964 . 1 . 1 81 81 GLY HA3 H 1 3.154 0.010 . . . . . . . 81 G HA3 . 52600 1
965 . 1 . 1 81 81 GLY CA C 13 43.935 0.000 . . . . . . . 81 G CA . 52600 1
966 . 1 . 1 81 81 GLY N N 15 116.418 0.010 . . . . . . . 81 G N . 52600 1
967 . 1 . 1 82 82 GLU H H 1 8.315 0.000 . . . . . . . 82 E H . 52600 1
968 . 1 . 1 82 82 GLU HA H 1 3.992 0.010 . . . . . . . 82 E HA . 52600 1
969 . 1 . 1 82 82 GLU HB2 H 1 2.113 0.010 . . . . . . . 82 E HB2 . 52600 1
970 . 1 . 1 82 82 GLU HB3 H 1 2.146 0.010 . . . . . . . 82 E HB3 . 52600 1
971 . 1 . 1 82 82 GLU HG2 H 1 2.166 0.000 . . . . . . . 82 E HG2 . 52600 1
972 . 1 . 1 82 82 GLU HG3 H 1 2.373 0.000 . . . . . . . 82 E HG3 . 52600 1
973 . 1 . 1 82 82 GLU CA C 13 59.358 0.000 . . . . . . . 82 E CA . 52600 1
974 . 1 . 1 82 82 GLU CB C 13 29.838 0.000 . . . . . . . 82 E CB . 52600 1
975 . 1 . 1 82 82 GLU CG C 13 36.197 0.000 . . . . . . . 82 E CG . 52600 1
976 . 1 . 1 82 82 GLU N N 15 120.727 0.000 . . . . . . . 82 E N . 52600 1
977 . 1 . 1 83 83 SER H H 1 8.830 0.010 . . . . . . . 83 S H . 52600 1
978 . 1 . 1 83 83 SER HA H 1 3.811 0.010 . . . . . . . 83 S HA . 52600 1
979 . 1 . 1 83 83 SER HB2 H 1 3.969 0.000 . . . . . . . 83 S HB2 . 52600 1
980 . 1 . 1 83 83 SER HB3 H 1 4.298 0.010 . . . . . . . 83 S HB3 . 52600 1
981 . 1 . 1 83 83 SER CA C 13 58.962 0.000 . . . . . . . 83 S CA . 52600 1
982 . 1 . 1 83 83 SER CB C 13 61.522 0.000 . . . . . . . 83 S CB . 52600 1
983 . 1 . 1 83 83 SER N N 15 118.555 0.010 . . . . . . . 83 S N . 52600 1
984 . 1 . 1 84 84 LEU H H 1 8.359 0.000 . . . . . . . 84 L H . 52600 1
985 . 1 . 1 84 84 LEU HA H 1 4.137 0.000 . . . . . . . 84 L HA . 52600 1
986 . 1 . 1 84 84 LEU HB2 H 1 1.751 0.010 . . . . . . . 84 L HB2 . 52600 1
987 . 1 . 1 84 84 LEU HB3 H 1 2.026 0.010 . . . . . . . 84 L HB3 . 52600 1
988 . 1 . 1 84 84 LEU HG H 1 1.121 0.010 . . . . . . . 84 L HG . 52600 1
989 . 1 . 1 84 84 LEU HD11 H 1 0.822 0.000 . . . . . . . 84 L QD1 . 52600 1
990 . 1 . 1 84 84 LEU HD12 H 1 0.822 0.000 . . . . . . . 84 L QD1 . 52600 1
991 . 1 . 1 84 84 LEU HD13 H 1 0.822 0.000 . . . . . . . 84 L QD1 . 52600 1
992 . 1 . 1 84 84 LEU HD21 H 1 0.814 0.000 . . . . . . . 84 L QD2 . 52600 1
993 . 1 . 1 84 84 LEU HD22 H 1 0.814 0.000 . . . . . . . 84 L QD2 . 52600 1
994 . 1 . 1 84 84 LEU HD23 H 1 0.814 0.000 . . . . . . . 84 L QD2 . 52600 1
995 . 1 . 1 84 84 LEU CA C 13 58.322 0.000 . . . . . . . 84 L CA . 52600 1
996 . 1 . 1 84 84 LEU CB C 13 41.824 0.000 . . . . . . . 84 L CB . 52600 1
997 . 1 . 1 84 84 LEU CG C 13 26.059 0.010 . . . . . . . 84 L CG . 52600 1
998 . 1 . 1 84 84 LEU CD1 C 13 23.172 0.010 . . . . . . . 84 L CD1 . 52600 1
999 . 1 . 1 84 84 LEU CD2 C 13 23.427 0.000 . . . . . . . 84 L CD2 . 52600 1
1000 . 1 . 1 84 84 LEU N N 15 123.492 0.000 . . . . . . . 84 L N . 52600 1
1001 . 1 . 1 85 85 PHE H H 1 8.871 0.000 . . . . . . . 85 F H . 52600 1
1002 . 1 . 1 85 85 PHE HA H 1 3.962 0.000 . . . . . . . 85 F HA . 52600 1
1003 . 1 . 1 85 85 PHE HB2 H 1 2.988 0.010 . . . . . . . 85 F HB2 . 52600 1
1004 . 1 . 1 85 85 PHE HB3 H 1 3.156 0.000 . . . . . . . 85 F HB3 . 52600 1
1005 . 1 . 1 85 85 PHE HD1 H 1 7.113 0.000 . . . . . . . 85 F HD1 . 52600 1
1006 . 1 . 1 85 85 PHE HD2 H 1 7.149 0.010 . . . . . . . 85 F HD2 . 52600 1
1007 . 1 . 1 85 85 PHE HE1 H 1 7.258 0.010 . . . . . . . 85 F HE1 . 52600 1
1008 . 1 . 1 85 85 PHE HE2 H 1 7.268 0.010 . . . . . . . 85 F HE2 . 52600 1
1009 . 1 . 1 85 85 PHE HZ H 1 7.158 0.010 . . . . . . . 85 F HZ . 52600 1
1010 . 1 . 1 85 85 PHE CA C 13 61.318 0.000 . . . . . . . 85 F CA . 52600 1
1011 . 1 . 1 85 85 PHE CB C 13 39.066 0.000 . . . . . . . 85 F CB . 52600 1
1012 . 1 . 1 85 85 PHE CD1 C 13 132.450 0.010 . . . . . . . 85 F CD1 . 52600 1
1013 . 1 . 1 85 85 PHE CE1 C 13 131.636 0.010 . . . . . . . 85 F CE1 . 52600 1
1014 . 1 . 1 85 85 PHE CZ C 13 127.446 0.010 . . . . . . . 85 F CZ . 52600 1
1015 . 1 . 1 85 85 PHE N N 15 120.560 0.000 . . . . . . . 85 F N . 52600 1
1016 . 1 . 1 86 86 GLN H H 1 8.658 0.000 . . . . . . . 86 Q H . 52600 1
1017 . 1 . 1 86 86 GLN HA H 1 3.809 0.010 . . . . . . . 86 Q HA . 52600 1
1018 . 1 . 1 86 86 GLN HB2 H 1 1.754 0.010 . . . . . . . 86 Q HB2 . 52600 1
1019 . 1 . 1 86 86 GLN HB3 H 1 1.971 0.010 . . . . . . . 86 Q HB3 . 52600 1
1020 . 1 . 1 86 86 GLN HG2 H 1 2.526 0.010 . . . . . . . 86 Q HG2 . 52600 1
1021 . 1 . 1 86 86 GLN HG3 H 1 2.707 0.000 . . . . . . . 86 Q HG3 . 52600 1
1022 . 1 . 1 86 86 GLN HE21 H 1 6.776 0.010 . . . . . . . 86 Q HE21 . 52600 1
1023 . 1 . 1 86 86 GLN HE22 H 1 7.123 0.010 . . . . . . . 86 Q HE22 . 52600 1
1024 . 1 . 1 86 86 GLN CA C 13 58.785 0.000 . . . . . . . 86 Q CA . 52600 1
1025 . 1 . 1 86 86 GLN CB C 13 27.490 0.010 . . . . . . . 86 Q CB . 52600 1
1026 . 1 . 1 86 86 GLN CG C 13 34.086 0.010 . . . . . . . 86 Q CG . 52600 1
1027 . 1 . 1 86 86 GLN N N 15 118.440 0.000 . . . . . . . 86 Q N . 52600 1
1028 . 1 . 1 86 86 GLN NE2 N 15 111.483 0.000 . . . . . . . 86 Q NE2 . 52600 1
1029 . 1 . 1 87 87 ARG H H 1 7.717 0.000 . . . . . . . 87 R H . 52600 1
1030 . 1 . 1 87 87 ARG HA H 1 4.135 0.000 . . . . . . . 87 R HA . 52600 1
1031 . 1 . 1 87 87 ARG HB2 H 1 1.999 0.010 . . . . . . . 87 R HB2 . 52600 1
1032 . 1 . 1 87 87 ARG HB3 H 1 2.007 0.000 . . . . . . . 87 R HB3 . 52600 1
1033 . 1 . 1 87 87 ARG HG2 H 1 1.559 0.000 . . . . . . . 87 R HG2 . 52600 1
1034 . 1 . 1 87 87 ARG HG3 H 1 1.846 0.000 . . . . . . . 87 R HG3 . 52600 1
1035 . 1 . 1 87 87 ARG HD2 H 1 3.335 0.010 . . . . . . . 87 R HD2 . 52600 1
1036 . 1 . 1 87 87 ARG HD3 H 1 3.346 0.000 . . . . . . . 87 R HD3 . 52600 1
1037 . 1 . 1 87 87 ARG HE H 1 7.682 0.010 . . . . . . . 87 R HE . 52600 1
1038 . 1 . 1 87 87 ARG CA C 13 58.624 0.000 . . . . . . . 87 R CA . 52600 1
1039 . 1 . 1 87 87 ARG CB C 13 29.335 0.000 . . . . . . . 87 R CB . 52600 1
1040 . 1 . 1 87 87 ARG CG C 13 26.810 0.000 . . . . . . . 87 R CG . 52600 1
1041 . 1 . 1 87 87 ARG CD C 13 43.227 0.000 . . . . . . . 87 R CD . 52600 1
1042 . 1 . 1 87 87 ARG N N 15 120.631 0.000 . . . . . . . 87 R N . 52600 1
1043 . 1 . 1 88 88 ASN H H 1 8.204 0.000 . . . . . . . 88 N H . 52600 1
1044 . 1 . 1 88 88 ASN HA H 1 4.468 0.000 . . . . . . . 88 N HA . 52600 1
1045 . 1 . 1 88 88 ASN HB2 H 1 2.696 0.000 . . . . . . . 88 N HB2 . 52600 1
1046 . 1 . 1 88 88 ASN HB3 H 1 3.004 0.000 . . . . . . . 88 N HB3 . 52600 1
1047 . 1 . 1 88 88 ASN HD21 H 1 8.323 0.000 . . . . . . . 88 N HD21 . 52600 1
1048 . 1 . 1 88 88 ASN HD22 H 1 8.327 0.000 . . . . . . . 88 N HD22 . 52600 1
1049 . 1 . 1 88 88 ASN CA C 13 54.951 0.000 . . . . . . . 88 N CA . 52600 1
1050 . 1 . 1 88 88 ASN CB C 13 37.184 0.000 . . . . . . . 88 N CB . 52600 1
1051 . 1 . 1 88 88 ASN N N 15 119.206 0.000 . . . . . . . 88 N N . 52600 1
1052 . 1 . 1 88 88 ASN ND2 N 15 117.246 0.000 . . . . . . . 88 N ND2 . 52600 1
1053 . 1 . 1 89 89 GLN H H 1 8.419 0.000 . . . . . . . 89 Q H . 52600 1
1054 . 1 . 1 89 89 GLN HA H 1 4.141 0.000 . . . . . . . 89 Q HA . 52600 1
1055 . 1 . 1 89 89 GLN HB2 H 1 2.353 0.010 . . . . . . . 89 Q HB2 . 52600 1
1056 . 1 . 1 89 89 GLN HB3 H 1 2.359 0.010 . . . . . . . 89 Q HB3 . 52600 1
1057 . 1 . 1 89 89 GLN HG2 H 1 2.293 0.010 . . . . . . . 89 Q HG2 . 52600 1
1058 . 1 . 1 89 89 GLN HG3 H 1 2.531 0.000 . . . . . . . 89 Q HG3 . 52600 1
1059 . 1 . 1 89 89 GLN HE21 H 1 7.120 0.010 . . . . . . . 89 Q HE21 . 52600 1
1060 . 1 . 1 89 89 GLN HE22 H 1 7.455 0.010 . . . . . . . 89 Q HE22 . 52600 1
1061 . 1 . 1 89 89 GLN CA C 13 58.899 0.000 . . . . . . . 89 Q CA . 52600 1
1062 . 1 . 1 89 89 GLN CB C 13 28.183 0.010 . . . . . . . 89 Q CB . 52600 1
1063 . 1 . 1 89 89 GLN CG C 13 33.888 0.000 . . . . . . . 89 Q CG . 52600 1
1064 . 1 . 1 89 89 GLN N N 15 120.637 0.000 . . . . . . . 89 Q N . 52600 1
1065 . 1 . 1 89 89 GLN NE2 N 15 111.667 0.010 . . . . . . . 89 Q NE2 . 52600 1
1066 . 1 . 1 90 90 GLN H H 1 7.453 0.000 . . . . . . . 90 Q H . 52600 1
1067 . 1 . 1 90 90 GLN HA H 1 4.129 0.000 . . . . . . . 90 Q HA . 52600 1
1068 . 1 . 1 90 90 GLN HB2 H 1 2.205 0.000 . . . . . . . 90 Q HB2 . 52600 1
1069 . 1 . 1 90 90 GLN HB3 H 1 2.347 0.010 . . . . . . . 90 Q HB3 . 52600 1
1070 . 1 . 1 90 90 GLN HG2 H 1 2.528 0.010 . . . . . . . 90 Q HG2 . 52600 1
1071 . 1 . 1 90 90 GLN HG3 H 1 2.534 0.000 . . . . . . . 90 Q HG3 . 52600 1
1072 . 1 . 1 90 90 GLN HE21 H 1 6.779 0.010 . . . . . . . 90 Q HE21 . 52600 1
1073 . 1 . 1 90 90 GLN HE22 H 1 7.418 0.010 . . . . . . . 90 Q HE22 . 52600 1
1074 . 1 . 1 90 90 GLN CA C 13 58.880 0.000 . . . . . . . 90 Q CA . 52600 1
1075 . 1 . 1 90 90 GLN CB C 13 28.168 0.000 . . . . . . . 90 Q CB . 52600 1
1076 . 1 . 1 90 90 GLN CG C 13 33.868 0.000 . . . . . . . 90 Q CG . 52600 1
1077 . 1 . 1 90 90 GLN N N 15 119.530 0.000 . . . . . . . 90 Q N . 52600 1
1078 . 1 . 1 90 90 GLN NE2 N 15 110.740 0.010 . . . . . . . 90 Q NE2 . 52600 1
1079 . 1 . 1 91 91 LEU H H 1 7.828 0.000 . . . . . . . 91 L H . 52600 1
1080 . 1 . 1 91 91 LEU HA H 1 4.057 0.010 . . . . . . . 91 L HA . 52600 1
1081 . 1 . 1 91 91 LEU HB2 H 1 1.103 0.000 . . . . . . . 91 L HB2 . 52600 1
1082 . 1 . 1 91 91 LEU HB3 H 1 1.738 0.000 . . . . . . . 91 L HB3 . 52600 1
1083 . 1 . 1 91 91 LEU HG H 1 0.794 0.000 . . . . . . . 91 L HG . 52600 1
1084 . 1 . 1 91 91 LEU HD11 H 1 0.824 0.000 . . . . . . . 91 L QD1 . 52600 1
1085 . 1 . 1 91 91 LEU HD12 H 1 0.824 0.000 . . . . . . . 91 L QD1 . 52600 1
1086 . 1 . 1 91 91 LEU HD13 H 1 0.824 0.000 . . . . . . . 91 L QD1 . 52600 1
1087 . 1 . 1 91 91 LEU HD21 H 1 0.819 0.000 . . . . . . . 91 L QD2 . 52600 1
1088 . 1 . 1 91 91 LEU HD22 H 1 0.819 0.000 . . . . . . . 91 L QD2 . 52600 1
1089 . 1 . 1 91 91 LEU HD23 H 1 0.819 0.000 . . . . . . . 91 L QD2 . 52600 1
1090 . 1 . 1 91 91 LEU CA C 13 58.160 0.000 . . . . . . . 91 L CA . 52600 1
1091 . 1 . 1 91 91 LEU CB C 13 41.779 0.000 . . . . . . . 91 L CB . 52600 1
1092 . 1 . 1 91 91 LEU CG C 13 25.931 0.000 . . . . . . . 91 L CG . 52600 1
1093 . 1 . 1 91 91 LEU CD1 C 13 22.861 0.000 . . . . . . . 91 L CD1 . 52600 1
1094 . 1 . 1 91 91 LEU CD2 C 13 23.033 0.010 . . . . . . . 91 L CD2 . 52600 1
1095 . 1 . 1 91 91 LEU N N 15 121.909 0.000 . . . . . . . 91 L N . 52600 1
1096 . 1 . 1 92 92 PHE H H 1 9.391 0.000 . . . . . . . 92 F H . 52600 1
1097 . 1 . 1 92 92 PHE HA H 1 4.131 0.000 . . . . . . . 92 F HA . 52600 1
1098 . 1 . 1 92 92 PHE HB2 H 1 3.020 0.000 . . . . . . . 92 F HB2 . 52600 1
1099 . 1 . 1 92 92 PHE HB3 H 1 3.163 0.000 . . . . . . . 92 F HB3 . 52600 1
1100 . 1 . 1 92 92 PHE HD1 H 1 7.271 0.000 . . . . . . . 92 F HD1 . 52600 1
1101 . 1 . 1 92 92 PHE HD2 H 1 7.740 0.010 . . . . . . . 92 F HD2 . 52600 1
1102 . 1 . 1 92 92 PHE HE1 H 1 7.552 0.010 . . . . . . . 92 F HE1 . 52600 1
1103 . 1 . 1 92 92 PHE HE2 H 1 7.749 0.010 . . . . . . . 92 F HE2 . 52600 1
1104 . 1 . 1 92 92 PHE HZ H 1 7.650 0.010 . . . . . . . 92 F HZ . 52600 1
1105 . 1 . 1 92 92 PHE CA C 13 63.174 0.000 . . . . . . . 92 F CA . 52600 1
1106 . 1 . 1 92 92 PHE CB C 13 38.847 0.000 . . . . . . . 92 F CB . 52600 1
1107 . 1 . 1 92 92 PHE CD1 C 13 131.714 0.010 . . . . . . . 92 F CD1 . 52600 1
1108 . 1 . 1 92 92 PHE CE1 C 13 129.683 0.010 . . . . . . . 92 F CE1 . 52600 1
1109 . 1 . 1 92 92 PHE CZ C 13 127.500 0.000 . . . . . . . 92 F CZ . 52600 1
1110 . 1 . 1 92 92 PHE N N 15 119.202 0.000 . . . . . . . 92 F N . 52600 1
1111 . 1 . 1 93 93 SER H H 1 7.731 0.000 . . . . . . . 93 S H . 52600 1
1112 . 1 . 1 93 93 SER HA H 1 4.318 0.000 . . . . . . . 93 S HA . 52600 1
1113 . 1 . 1 93 93 SER HB2 H 1 4.089 0.000 . . . . . . . 93 S HB2 . 52600 1
1114 . 1 . 1 93 93 SER HB3 H 1 4.096 0.000 . . . . . . . 93 S HB3 . 52600 1
1115 . 1 . 1 93 93 SER CA C 13 61.772 0.000 . . . . . . . 93 S CA . 52600 1
1116 . 1 . 1 93 93 SER CB C 13 62.800 0.000 . . . . . . . 93 S CB . 52600 1
1117 . 1 . 1 93 93 SER N N 15 114.449 0.000 . . . . . . . 93 S N . 52600 1
1118 . 1 . 1 94 94 GLN H H 1 7.833 0.000 . . . . . . . 94 Q H . 52600 1
1119 . 1 . 1 94 94 GLN HA H 1 4.118 0.000 . . . . . . . 94 Q HA . 52600 1
1120 . 1 . 1 94 94 GLN HB2 H 1 2.200 0.000 . . . . . . . 94 Q HB2 . 52600 1
1121 . 1 . 1 94 94 GLN HB3 H 1 2.204 0.000 . . . . . . . 94 Q HB3 . 52600 1
1122 . 1 . 1 94 94 GLN HG2 H 1 2.281 0.000 . . . . . . . 94 Q HG2 . 52600 1
1123 . 1 . 1 94 94 GLN HG3 H 1 2.527 0.000 . . . . . . . 94 Q HG3 . 52600 1
1124 . 1 . 1 94 94 GLN HE21 H 1 6.655 0.000 . . . . . . . 94 Q HE21 . 52600 1
1125 . 1 . 1 94 94 GLN HE22 H 1 7.111 0.000 . . . . . . . 94 Q HE22 . 52600 1
1126 . 1 . 1 94 94 GLN CA C 13 58.817 0.000 . . . . . . . 94 Q CA . 52600 1
1127 . 1 . 1 94 94 GLN CB C 13 28.260 0.000 . . . . . . . 94 Q CB . 52600 1
1128 . 1 . 1 94 94 GLN CG C 13 33.910 0.000 . . . . . . . 94 Q CG . 52600 1
1129 . 1 . 1 94 94 GLN N N 15 122.013 0.000 . . . . . . . 94 Q N . 52600 1
1130 . 1 . 1 94 94 GLN NE2 N 15 108.557 0.000 . . . . . . . 94 Q NE2 . 52600 1
1131 . 1 . 1 95 95 LEU H H 1 8.679 0.000 . . . . . . . 95 L H . 52600 1
1132 . 1 . 1 95 95 LEU HA H 1 3.646 0.000 . . . . . . . 95 L HA . 52600 1
1133 . 1 . 1 95 95 LEU HB2 H 1 1.659 0.000 . . . . . . . 95 L HB2 . 52600 1
1134 . 1 . 1 95 95 LEU HB3 H 1 1.821 0.000 . . . . . . . 95 L HB3 . 52600 1
1135 . 1 . 1 95 95 LEU HG H 1 0.608 0.000 . . . . . . . 95 L HG . 52600 1
1136 . 1 . 1 95 95 LEU HD11 H 1 0.614 0.010 . . . . . . . 95 L QD1 . 52600 1
1137 . 1 . 1 95 95 LEU HD12 H 1 0.614 0.010 . . . . . . . 95 L QD1 . 52600 1
1138 . 1 . 1 95 95 LEU HD13 H 1 0.614 0.010 . . . . . . . 95 L QD1 . 52600 1
1139 . 1 . 1 95 95 LEU HD21 H 1 0.765 0.010 . . . . . . . 95 L QD2 . 52600 1
1140 . 1 . 1 95 95 LEU HD22 H 1 0.765 0.010 . . . . . . . 95 L QD2 . 52600 1
1141 . 1 . 1 95 95 LEU HD23 H 1 0.765 0.010 . . . . . . . 95 L QD2 . 52600 1
1142 . 1 . 1 95 95 LEU CA C 13 58.190 0.000 . . . . . . . 95 L CA . 52600 1
1143 . 1 . 1 95 95 LEU CB C 13 41.876 0.000 . . . . . . . 95 L CB . 52600 1
1144 . 1 . 1 95 95 LEU CG C 13 24.638 0.000 . . . . . . . 95 L CG . 52600 1
1145 . 1 . 1 95 95 LEU CD1 C 13 24.690 0.000 . . . . . . . 95 L CD1 . 52600 1
1146 . 1 . 1 95 95 LEU CD2 C 13 25.347 0.000 . . . . . . . 95 L CD2 . 52600 1
1147 . 1 . 1 95 95 LEU N N 15 120.021 0.000 . . . . . . . 95 L N . 52600 1
1148 . 1 . 1 96 96 LYS H H 1 7.759 0.000 . . . . . . . 96 K H . 52600 1
1149 . 1 . 1 96 96 LYS HA H 1 3.819 0.000 . . . . . . . 96 K HA . 52600 1
1150 . 1 . 1 96 96 LYS HB2 H 1 2.074 0.000 . . . . . . . 96 K HB2 . 52600 1
1151 . 1 . 1 96 96 LYS HB3 H 1 2.079 0.000 . . . . . . . 96 K HB3 . 52600 1
1152 . 1 . 1 96 96 LYS HG2 H 1 1.607 0.010 . . . . . . . 96 K HG2 . 52600 1
1153 . 1 . 1 96 96 LYS HG3 H 1 1.857 0.010 . . . . . . . 96 K HG3 . 52600 1
1154 . 1 . 1 96 96 LYS HD2 H 1 1.853 0.000 . . . . . . . 96 K HD2 . 52600 1
1155 . 1 . 1 96 96 LYS HD3 H 1 1.856 0.000 . . . . . . . 96 K HD3 . 52600 1
1156 . 1 . 1 96 96 LYS HE2 H 1 3.041 0.000 . . . . . . . 96 K HE2 . 52600 1
1157 . 1 . 1 96 96 LYS HE3 H 1 3.047 0.000 . . . . . . . 96 K HE3 . 52600 1
1158 . 1 . 1 96 96 LYS CA C 13 60.424 0.000 . . . . . . . 96 K CA . 52600 1
1159 . 1 . 1 96 96 LYS CB C 13 32.615 0.000 . . . . . . . 96 K CB . 52600 1
1160 . 1 . 1 96 96 LYS CG C 13 25.927 0.000 . . . . . . . 96 K CG . 52600 1
1161 . 1 . 1 96 96 LYS CD C 13 29.979 0.000 . . . . . . . 96 K CD . 52600 1
1162 . 1 . 1 96 96 LYS CE C 13 42.292 0.010 . . . . . . . 96 K CE . 52600 1
1163 . 1 . 1 96 96 LYS N N 15 115.979 0.000 . . . . . . . 96 K N . 52600 1
1164 . 1 . 1 97 97 THR H H 1 7.628 0.000 . . . . . . . 97 T H . 52600 1
1165 . 1 . 1 97 97 THR HA H 1 4.073 0.000 . . . . . . . 97 T HA . 52600 1
1166 . 1 . 1 97 97 THR HB H 1 4.341 0.000 . . . . . . . 97 T HB . 52600 1
1167 . 1 . 1 97 97 THR HG21 H 1 1.245 0.000 . . . . . . . 97 T QG2 . 52600 1
1168 . 1 . 1 97 97 THR HG22 H 1 1.245 0.000 . . . . . . . 97 T QG2 . 52600 1
1169 . 1 . 1 97 97 THR HG23 H 1 1.245 0.000 . . . . . . . 97 T QG2 . 52600 1
1170 . 1 . 1 97 97 THR CA C 13 66.111 0.000 . . . . . . . 97 T CA . 52600 1
1171 . 1 . 1 97 97 THR CB C 13 68.877 0.000 . . . . . . . 97 T CB . 52600 1
1172 . 1 . 1 97 97 THR CG2 C 13 21.986 0.000 . . . . . . . 97 T CG2 . 52600 1
1173 . 1 . 1 97 97 THR N N 15 116.217 0.000 . . . . . . . 97 T N . 52600 1
1174 . 1 . 1 98 98 LEU H H 1 8.396 0.000 . . . . . . . 98 L H . 52600 1
1175 . 1 . 1 98 98 LEU HA H 1 4.145 0.000 . . . . . . . 98 L HA . 52600 1
1176 . 1 . 1 98 98 LEU HB2 H 1 1.475 0.010 . . . . . . . 98 L HB2 . 52600 1
1177 . 1 . 1 98 98 LEU HB3 H 1 1.800 0.000 . . . . . . . 98 L HB3 . 52600 1
1178 . 1 . 1 98 98 LEU HG H 1 0.658 0.010 . . . . . . . 98 L HG . 52600 1
1179 . 1 . 1 98 98 LEU HD11 H 1 0.968 0.000 . . . . . . . 98 L QD1 . 52600 1
1180 . 1 . 1 98 98 LEU HD12 H 1 0.968 0.000 . . . . . . . 98 L QD1 . 52600 1
1181 . 1 . 1 98 98 LEU HD13 H 1 0.968 0.000 . . . . . . . 98 L QD1 . 52600 1
1182 . 1 . 1 98 98 LEU HD21 H 1 0.656 0.000 . . . . . . . 98 L QD2 . 52600 1
1183 . 1 . 1 98 98 LEU HD22 H 1 0.656 0.000 . . . . . . . 98 L QD2 . 52600 1
1184 . 1 . 1 98 98 LEU HD23 H 1 0.656 0.000 . . . . . . . 98 L QD2 . 52600 1
1185 . 1 . 1 98 98 LEU CA C 13 58.213 0.000 . . . . . . . 98 L CA . 52600 1
1186 . 1 . 1 98 98 LEU CB C 13 41.864 0.000 . . . . . . . 98 L CB . 52600 1
1187 . 1 . 1 98 98 LEU CG C 13 26.621 0.010 . . . . . . . 98 L CG . 52600 1
1188 . 1 . 1 98 98 LEU CD1 C 13 22.263 0.000 . . . . . . . 98 L CD1 . 52600 1
1189 . 1 . 1 98 98 LEU CD2 C 13 26.641 0.000 . . . . . . . 98 L CD2 . 52600 1
1190 . 1 . 1 98 98 LEU N N 15 123.281 0.000 . . . . . . . 98 L N . 52600 1
1191 . 1 . 1 99 99 PHE H H 1 8.829 0.000 . . . . . . . 99 F H . 52600 1
1192 . 1 . 1 99 99 PHE HA H 1 4.149 0.010 . . . . . . . 99 F HA . 52600 1
1193 . 1 . 1 99 99 PHE HB2 H 1 3.331 0.000 . . . . . . . 99 F HB2 . 52600 1
1194 . 1 . 1 99 99 PHE HB3 H 1 3.335 0.010 . . . . . . . 99 F HB3 . 52600 1
1195 . 1 . 1 99 99 PHE HD1 H 1 7.256 0.000 . . . . . . . 99 F HD1 . 52600 1
1196 . 1 . 1 99 99 PHE HD2 H 1 7.268 0.010 . . . . . . . 99 F HD2 . 52600 1
1197 . 1 . 1 99 99 PHE HE1 H 1 6.855 0.010 . . . . . . . 99 F HE1 . 52600 1
1198 . 1 . 1 99 99 PHE HE2 H 1 7.252 0.000 . . . . . . . 99 F HE2 . 52600 1
1199 . 1 . 1 99 99 PHE HZ H 1 7.084 0.000 . . . . . . . 99 F HZ . 52600 1
1200 . 1 . 1 99 99 PHE CA C 13 58.375 0.000 . . . . . . . 99 F CA . 52600 1
1201 . 1 . 1 99 99 PHE CB C 13 37.733 0.000 . . . . . . . 99 F CB . 52600 1
1202 . 1 . 1 99 99 PHE CD1 C 13 131.650 0.010 . . . . . . . 99 F CD1 . 52600 1
1203 . 1 . 1 99 99 PHE CE1 C 13 127.336 0.010 . . . . . . . 99 F CE1 . 52600 1
1204 . 1 . 1 99 99 PHE CZ C 13 131.309 0.010 . . . . . . . 99 F CZ . 52600 1
1205 . 1 . 1 99 99 PHE N N 15 118.422 0.000 . . . . . . . 99 F N . 52600 1
1206 . 1 . 1 100 100 SER H H 1 8.071 0.000 . . . . . . . 100 S H . 52600 1
1207 . 1 . 1 100 100 SER HA H 1 4.128 0.010 . . . . . . . 100 S HA . 52600 1
1208 . 1 . 1 100 100 SER HB2 H 1 4.337 0.000 . . . . . . . 100 S HB2 . 52600 1
1209 . 1 . 1 100 100 SER HB3 H 1 4.350 0.000 . . . . . . . 100 S HB3 . 52600 1
1210 . 1 . 1 100 100 SER CA C 13 63.015 0.000 . . . . . . . 100 S CA . 52600 1
1211 . 1 . 1 100 100 SER CB C 13 61.663 0.000 . . . . . . . 100 S CB . 52600 1
1212 . 1 . 1 100 100 SER N N 15 116.351 0.000 . . . . . . . 100 S N . 52600 1
1213 . 1 . 1 101 101 GLN H H 1 7.890 0.000 . . . . . . . 101 Q H . 52600 1
1214 . 1 . 1 101 101 GLN HA H 1 4.396 0.000 . . . . . . . 101 Q HA . 52600 1
1215 . 1 . 1 101 101 GLN HB2 H 1 2.270 0.010 . . . . . . . 101 Q HB2 . 52600 1
1216 . 1 . 1 101 101 GLN HB3 H 1 2.557 0.010 . . . . . . . 101 Q HB3 . 52600 1
1217 . 1 . 1 101 101 GLN HG2 H 1 2.524 0.000 . . . . . . . 101 Q HG2 . 52600 1
1218 . 1 . 1 101 101 GLN HG3 H 1 2.570 0.000 . . . . . . . 101 Q HG3 . 52600 1
1219 . 1 . 1 101 101 GLN HE21 H 1 6.762 0.000 . . . . . . . 101 Q HE21 . 52600 1
1220 . 1 . 1 101 101 GLN HE22 H 1 7.431 0.000 . . . . . . . 101 Q HE22 . 52600 1
1221 . 1 . 1 101 101 GLN CA C 13 56.102 0.000 . . . . . . . 101 Q CA . 52600 1
1222 . 1 . 1 101 101 GLN CB C 13 29.438 0.000 . . . . . . . 101 Q CB . 52600 1
1223 . 1 . 1 101 101 GLN CG C 13 34.033 0.000 . . . . . . . 101 Q CG . 52600 1
1224 . 1 . 1 101 101 GLN N N 15 118.183 0.000 . . . . . . . 101 Q N . 52600 1
1225 . 1 . 1 101 101 GLN NE2 N 15 111.036 0.000 . . . . . . . 101 Q NE2 . 52600 1
1226 . 1 . 1 102 102 GLY H H 1 7.950 0.000 . . . . . . . 102 G H . 52600 1
1227 . 1 . 1 102 102 GLY HA2 H 1 4.019 0.000 . . . . . . . 102 G HA2 . 52600 1
1228 . 1 . 1 102 102 GLY HA3 H 1 4.150 0.000 . . . . . . . 102 G HA3 . 52600 1
1229 . 1 . 1 102 102 GLY CA C 13 46.267 0.000 . . . . . . . 102 G CA . 52600 1
1230 . 1 . 1 102 102 GLY N N 15 108.928 0.000 . . . . . . . 102 G N . 52600 1
1231 . 1 . 1 103 103 ASP H H 1 7.887 0.000 . . . . . . . 103 D H . 52600 1
1232 . 1 . 1 103 103 ASP HA H 1 4.932 0.000 . . . . . . . 103 D HA . 52600 1
1233 . 1 . 1 103 103 ASP HB2 H 1 2.538 0.000 . . . . . . . 103 D HB2 . 52600 1
1234 . 1 . 1 103 103 ASP HB3 H 1 2.995 0.000 . . . . . . . 103 D HB3 . 52600 1
1235 . 1 . 1 103 103 ASP CA C 13 52.395 0.000 . . . . . . . 103 D CA . 52600 1
1236 . 1 . 1 103 103 ASP CB C 13 39.548 0.000 . . . . . . . 103 D CB . 52600 1
1237 . 1 . 1 103 103 ASP N N 15 119.845 0.000 . . . . . . . 103 D N . 52600 1
1238 . 1 . 1 104 104 GLU H H 1 8.167 0.000 . . . . . . . 104 E H . 52600 1
1239 . 1 . 1 104 104 GLU HA H 1 4.177 0.000 . . . . . . . 104 E HA . 52600 1
1240 . 1 . 1 104 104 GLU HB2 H 1 2.159 0.000 . . . . . . . 104 E HB2 . 52600 1
1241 . 1 . 1 104 104 GLU HB3 H 1 2.165 0.000 . . . . . . . 104 E HB3 . 52600 1
1242 . 1 . 1 104 104 GLU HG2 H 1 2.339 0.010 . . . . . . . 104 E HG2 . 52600 1
1243 . 1 . 1 104 104 GLU HG3 H 1 2.343 0.010 . . . . . . . 104 E HG3 . 52600 1
1244 . 1 . 1 104 104 GLU CA C 13 59.649 0.000 . . . . . . . 104 E CA . 52600 1
1245 . 1 . 1 104 104 GLU CB C 13 30.255 0.000 . . . . . . . 104 E CB . 52600 1
1246 . 1 . 1 104 104 GLU CG C 13 36.697 0.000 . . . . . . . 104 E CG . 52600 1
1247 . 1 . 1 104 104 GLU N N 15 123.606 0.000 . . . . . . . 104 E N . 52600 1
1248 . 1 . 1 105 105 ASP H H 1 8.572 0.000 . . . . . . . 105 D H . 52600 1
1249 . 1 . 1 105 105 ASP HA H 1 4.517 0.000 . . . . . . . 105 D HA . 52600 1
1250 . 1 . 1 105 105 ASP HB2 H 1 2.733 0.000 . . . . . . . 105 D HB2 . 52600 1
1251 . 1 . 1 105 105 ASP HB3 H 1 2.752 0.000 . . . . . . . 105 D HB3 . 52600 1
1252 . 1 . 1 105 105 ASP CA C 13 57.899 0.000 . . . . . . . 105 D CA . 52600 1
1253 . 1 . 1 105 105 ASP CB C 13 40.667 0.000 . . . . . . . 105 D CB . 52600 1
1254 . 1 . 1 105 105 ASP N N 15 119.263 0.000 . . . . . . . 105 D N . 52600 1
1255 . 1 . 1 106 106 THR H H 1 8.209 0.000 . . . . . . . 106 T H . 52600 1
1256 . 1 . 1 106 106 THR HA H 1 4.048 0.000 . . . . . . . 106 T HA . 52600 1
1257 . 1 . 1 106 106 THR HB H 1 3.879 0.000 . . . . . . . 106 T HB . 52600 1
1258 . 1 . 1 106 106 THR HG21 H 1 1.232 0.000 . . . . . . . 106 T QG2 . 52600 1
1259 . 1 . 1 106 106 THR HG22 H 1 1.232 0.000 . . . . . . . 106 T QG2 . 52600 1
1260 . 1 . 1 106 106 THR HG23 H 1 1.232 0.000 . . . . . . . 106 T QG2 . 52600 1
1261 . 1 . 1 106 106 THR CA C 13 65.768 0.000 . . . . . . . 106 T CA . 52600 1
1262 . 1 . 1 106 106 THR CB C 13 66.926 0.000 . . . . . . . 106 T CB . 52600 1
1263 . 1 . 1 106 106 THR CG2 C 13 23.286 0.000 . . . . . . . 106 T CG2 . 52600 1
1264 . 1 . 1 106 106 THR N N 15 118.508 0.000 . . . . . . . 106 T N . 52600 1
1265 . 1 . 1 107 107 ALA H H 1 8.004 0.000 . . . . . . . 107 A H . 52600 1
1266 . 1 . 1 107 107 ALA HA H 1 3.661 0.000 . . . . . . . 107 A HA . 52600 1
1267 . 1 . 1 107 107 ALA HB1 H 1 1.322 0.000 . . . . . . . 107 A HB# . 52600 1
1268 . 1 . 1 107 107 ALA HB2 H 1 1.322 0.000 . . . . . . . 107 A HB# . 52600 1
1269 . 1 . 1 107 107 ALA HB3 H 1 1.322 0.000 . . . . . . . 107 A HB# . 52600 1
1270 . 1 . 1 107 107 ALA CA C 13 55.739 0.000 . . . . . . . 107 A CA . 52600 1
1271 . 1 . 1 107 107 ALA CB C 13 18.009 0.000 . . . . . . . 107 A CB . 52600 1
1272 . 1 . 1 107 107 ALA N N 15 122.811 0.000 . . . . . . . 107 A N . 52600 1
1273 . 1 . 1 108 108 LYS H H 1 8.055 0.000 . . . . . . . 108 K H . 52600 1
1274 . 1 . 1 108 108 LYS HA H 1 3.814 0.000 . . . . . . . 108 K HA . 52600 1
1275 . 1 . 1 108 108 LYS HB2 H 1 2.076 0.010 . . . . . . . 108 K HB2 . 52600 1
1276 . 1 . 1 108 108 LYS HB3 H 1 2.085 0.000 . . . . . . . 108 K HB3 . 52600 1
1277 . 1 . 1 108 108 LYS HG2 H 1 1.597 0.000 . . . . . . . 108 K HG2 . 52600 1
1278 . 1 . 1 108 108 LYS HG3 H 1 1.856 0.000 . . . . . . . 108 K HG3 . 52600 1
1279 . 1 . 1 108 108 LYS HD2 H 1 1.857 0.000 . . . . . . . 108 K HD2 . 52600 1
1280 . 1 . 1 108 108 LYS HD3 H 1 1.861 0.000 . . . . . . . 108 K HD3 . 52600 1
1281 . 1 . 1 108 108 LYS HE2 H 1 3.047 0.010 . . . . . . . 108 K HE2 . 52600 1
1282 . 1 . 1 108 108 LYS HE3 H 1 3.049 0.000 . . . . . . . 108 K HE3 . 52600 1
1283 . 1 . 1 108 108 LYS CA C 13 60.382 0.000 . . . . . . . 108 K CA . 52600 1
1284 . 1 . 1 108 108 LYS CB C 13 32.610 0.000 . . . . . . . 108 K CB . 52600 1
1285 . 1 . 1 108 108 LYS CG C 13 25.961 0.000 . . . . . . . 108 K CG . 52600 1
1286 . 1 . 1 108 108 LYS CD C 13 29.948 0.000 . . . . . . . 108 K CD . 52600 1
1287 . 1 . 1 108 108 LYS CE C 13 42.319 0.000 . . . . . . . 108 K CE . 52600 1
1288 . 1 . 1 108 108 LYS N N 15 116.238 0.000 . . . . . . . 108 K N . 52600 1
1289 . 1 . 1 109 109 ALA H H 1 7.240 0.000 . . . . . . . 109 A H . 52600 1
1290 . 1 . 1 109 109 ALA HA H 1 4.245 0.000 . . . . . . . 109 A HA . 52600 1
1291 . 1 . 1 109 109 ALA HB1 H 1 1.579 0.000 . . . . . . . 109 A HB# . 52600 1
1292 . 1 . 1 109 109 ALA HB2 H 1 1.579 0.000 . . . . . . . 109 A HB# . 52600 1
1293 . 1 . 1 109 109 ALA HB3 H 1 1.579 0.000 . . . . . . . 109 A HB# . 52600 1
1294 . 1 . 1 109 109 ALA CA C 13 55.003 0.000 . . . . . . . 109 A CA . 52600 1
1295 . 1 . 1 109 109 ALA CB C 13 18.095 0.000 . . . . . . . 109 A CB . 52600 1
1296 . 1 . 1 109 109 ALA N N 15 121.263 0.000 . . . . . . . 109 A N . 52600 1
1297 . 1 . 1 110 110 VAL H H 1 7.990 0.000 . . . . . . . 110 V H . 52600 1
1298 . 1 . 1 110 110 VAL HA H 1 3.707 0.000 . . . . . . . 110 V HA . 52600 1
1299 . 1 . 1 110 110 VAL HB H 1 1.992 0.000 . . . . . . . 110 V HB . 52600 1
1300 . 1 . 1 110 110 VAL HG11 H 1 1.239 0.010 . . . . . . . 110 V QG1 . 52600 1
1301 . 1 . 1 110 110 VAL HG12 H 1 1.239 0.010 . . . . . . . 110 V QG1 . 52600 1
1302 . 1 . 1 110 110 VAL HG13 H 1 1.239 0.010 . . . . . . . 110 V QG1 . 52600 1
1303 . 1 . 1 110 110 VAL HG21 H 1 0.891 0.000 . . . . . . . 110 V QG2 . 52600 1
1304 . 1 . 1 110 110 VAL HG22 H 1 0.891 0.000 . . . . . . . 110 V QG2 . 52600 1
1305 . 1 . 1 110 110 VAL HG23 H 1 0.891 0.000 . . . . . . . 110 V QG2 . 52600 1
1306 . 1 . 1 110 110 VAL CA C 13 66.741 0.000 . . . . . . . 110 V CA . 52600 1
1307 . 1 . 1 110 110 VAL CB C 13 31.323 0.000 . . . . . . . 110 V CB . 52600 1
1308 . 1 . 1 110 110 VAL CG1 C 13 23.264 0.000 . . . . . . . 110 V CG1 . 52600 1
1309 . 1 . 1 110 110 VAL CG2 C 13 23.375 0.000 . . . . . . . 110 V CG2 . 52600 1
1310 . 1 . 1 110 110 VAL N N 15 122.075 0.000 . . . . . . . 110 V N . 52600 1
1311 . 1 . 1 111 111 LEU H H 1 8.547 0.000 . . . . . . . 111 L H . 52600 1
1312 . 1 . 1 111 111 LEU HA H 1 4.079 0.000 . . . . . . . 111 L HA . 52600 1
1313 . 1 . 1 111 111 LEU HB2 H 1 1.549 0.000 . . . . . . . 111 L HB2 . 52600 1
1314 . 1 . 1 111 111 LEU HB3 H 1 1.959 0.000 . . . . . . . 111 L HB3 . 52600 1
1315 . 1 . 1 111 111 LEU HG H 1 1.158 0.010 . . . . . . . 111 L HG . 52600 1
1316 . 1 . 1 111 111 LEU HD11 H 1 0.760 0.000 . . . . . . . 111 L QD1 . 52600 1
1317 . 1 . 1 111 111 LEU HD12 H 1 0.760 0.000 . . . . . . . 111 L QD1 . 52600 1
1318 . 1 . 1 111 111 LEU HD13 H 1 0.760 0.000 . . . . . . . 111 L QD1 . 52600 1
1319 . 1 . 1 111 111 LEU HD21 H 1 0.329 0.010 . . . . . . . 111 L QD2 . 52600 1
1320 . 1 . 1 111 111 LEU HD22 H 1 0.329 0.010 . . . . . . . 111 L QD2 . 52600 1
1321 . 1 . 1 111 111 LEU HD23 H 1 0.329 0.010 . . . . . . . 111 L QD2 . 52600 1
1322 . 1 . 1 111 111 LEU CA C 13 58.890 0.000 . . . . . . . 111 L CA . 52600 1
1323 . 1 . 1 111 111 LEU CB C 13 41.711 0.000 . . . . . . . 111 L CB . 52600 1
1324 . 1 . 1 111 111 LEU CG C 13 25.057 0.010 . . . . . . . 111 L CG . 52600 1
1325 . 1 . 1 111 111 LEU CD1 C 13 25.282 0.000 . . . . . . . 111 L CD1 . 52600 1
1326 . 1 . 1 111 111 LEU CD2 C 13 25.919 0.000 . . . . . . . 111 L CD2 . 52600 1
1327 . 1 . 1 111 111 LEU N N 15 120.262 0.000 . . . . . . . 111 L N . 52600 1
1328 . 1 . 1 112 112 GLU H H 1 7.735 0.000 . . . . . . . 112 E H . 52600 1
1329 . 1 . 1 112 112 GLU HA H 1 4.114 0.000 . . . . . . . 112 E HA . 52600 1
1330 . 1 . 1 112 112 GLU HB2 H 1 2.106 0.000 . . . . . . . 112 E HB2 . 52600 1
1331 . 1 . 1 112 112 GLU HB3 H 1 2.169 0.010 . . . . . . . 112 E HB3 . 52600 1
1332 . 1 . 1 112 112 GLU HG2 H 1 2.328 0.000 . . . . . . . 112 E HG2 . 52600 1
1333 . 1 . 1 112 112 GLU HG3 H 1 2.522 0.000 . . . . . . . 112 E HG3 . 52600 1
1334 . 1 . 1 112 112 GLU CA C 13 59.390 0.000 . . . . . . . 112 E CA . 52600 1
1335 . 1 . 1 112 112 GLU CB C 13 29.397 0.000 . . . . . . . 112 E CB . 52600 1
1336 . 1 . 1 112 112 GLU CG C 13 36.519 0.000 . . . . . . . 112 E CG . 52600 1
1337 . 1 . 1 112 112 GLU N N 15 117.636 0.000 . . . . . . . 112 E N . 52600 1
1338 . 1 . 1 113 113 GLU H H 1 7.779 0.000 . . . . . . . 113 E H . 52600 1
1339 . 1 . 1 113 113 GLU HA H 1 4.078 0.000 . . . . . . . 113 E HA . 52600 1
1340 . 1 . 1 113 113 GLU HB2 H 1 2.111 0.010 . . . . . . . 113 E HB2 . 52600 1
1341 . 1 . 1 113 113 GLU HB3 H 1 2.376 0.000 . . . . . . . 113 E HB3 . 52600 1
1342 . 1 . 1 113 113 GLU HG2 H 1 2.106 0.010 . . . . . . . 113 E HG2 . 52600 1
1343 . 1 . 1 113 113 GLU HG3 H 1 2.188 0.010 . . . . . . . 113 E HG3 . 52600 1
1344 . 1 . 1 113 113 GLU CA C 13 59.552 0.000 . . . . . . . 113 E CA . 52600 1
1345 . 1 . 1 113 113 GLU CB C 13 29.407 0.000 . . . . . . . 113 E CB . 52600 1
1346 . 1 . 1 113 113 GLU CG C 13 36.307 0.000 . . . . . . . 113 E CG . 52600 1
1347 . 1 . 1 113 113 GLU N N 15 123.483 0.000 . . . . . . . 113 E N . 52600 1
1348 . 1 . 1 114 114 ILE H H 1 8.634 0.000 . . . . . . . 114 I H . 52600 1
1349 . 1 . 1 114 114 ILE HA H 1 3.662 0.000 . . . . . . . 114 I HA . 52600 1
1350 . 1 . 1 114 114 ILE HB H 1 1.732 0.000 . . . . . . . 114 I HB . 52600 1
1351 . 1 . 1 114 114 ILE HG12 H 1 0.176 0.000 . . . . . . . 114 I HG12 . 52600 1
1352 . 1 . 1 114 114 ILE HG13 H 1 1.585 0.010 . . . . . . . 114 I HG13 . 52600 1
1353 . 1 . 1 114 114 ILE HG21 H 1 -0.231 0.000 . . . . . . . 114 I QG2 . 52600 1
1354 . 1 . 1 114 114 ILE HG22 H 1 -0.231 0.000 . . . . . . . 114 I QG2 . 52600 1
1355 . 1 . 1 114 114 ILE HG23 H 1 -0.231 0.000 . . . . . . . 114 I QG2 . 52600 1
1356 . 1 . 1 114 114 ILE HD11 H 1 -0.064 0.000 . . . . . . . 114 I QD1 . 52600 1
1357 . 1 . 1 114 114 ILE HD12 H 1 -0.064 0.000 . . . . . . . 114 I QD1 . 52600 1
1358 . 1 . 1 114 114 ILE HD13 H 1 -0.064 0.000 . . . . . . . 114 I QD1 . 52600 1
1359 . 1 . 1 114 114 ILE CA C 13 65.421 0.000 . . . . . . . 114 I CA . 52600 1
1360 . 1 . 1 114 114 ILE CB C 13 37.723 0.000 . . . . . . . 114 I CB . 52600 1
1361 . 1 . 1 114 114 ILE CG1 C 13 30.730 0.000 . . . . . . . 114 I CG1 . 52600 1
1362 . 1 . 1 114 114 ILE CG2 C 13 17.680 0.000 . . . . . . . 114 I CG2 . 52600 1
1363 . 1 . 1 114 114 ILE CD1 C 13 13.200 0.000 . . . . . . . 114 I CD1 . 52600 1
1364 . 1 . 1 114 114 ILE N N 15 120.955 0.000 . . . . . . . 114 I N . 52600 1
1365 . 1 . 1 115 115 GLN H H 1 8.412 0.000 . . . . . . . 115 Q H . 52600 1
1366 . 1 . 1 115 115 GLN HA H 1 3.785 0.000 . . . . . . . 115 Q HA . 52600 1
1367 . 1 . 1 115 115 GLN HB2 H 1 2.518 0.010 . . . . . . . 115 Q HB2 . 52600 1
1368 . 1 . 1 115 115 GLN HB3 H 1 2.521 0.000 . . . . . . . 115 Q HB3 . 52600 1
1369 . 1 . 1 115 115 GLN HG2 H 1 2.339 0.010 . . . . . . . 115 Q HG2 . 52600 1
1370 . 1 . 1 115 115 GLN HG3 H 1 2.727 0.010 . . . . . . . 115 Q HG3 . 52600 1
1371 . 1 . 1 115 115 GLN HE21 H 1 7.356 0.010 . . . . . . . 115 Q HE21 . 52600 1
1372 . 1 . 1 115 115 GLN HE22 H 1 7.728 0.010 . . . . . . . 115 Q HE22 . 52600 1
1373 . 1 . 1 115 115 GLN CA C 13 58.812 0.000 . . . . . . . 115 Q CA . 52600 1
1374 . 1 . 1 115 115 GLN CB C 13 29.236 0.000 . . . . . . . 115 Q CB . 52600 1
1375 . 1 . 1 115 115 GLN CG C 13 34.014 0.000 . . . . . . . 115 Q CG . 52600 1
1376 . 1 . 1 115 115 GLN N N 15 119.003 0.000 . . . . . . . 115 Q N . 52600 1
1377 . 1 . 1 115 115 GLN NE2 N 15 117.610 0.010 . . . . . . . 115 Q NE2 . 52600 1
1378 . 1 . 1 116 116 SER H H 1 8.093 0.000 . . . . . . . 116 S H . 52600 1
1379 . 1 . 1 116 116 SER HA H 1 4.308 0.000 . . . . . . . 116 S HA . 52600 1
1380 . 1 . 1 116 116 SER HB2 H 1 4.081 0.000 . . . . . . . 116 S HB2 . 52600 1
1381 . 1 . 1 116 116 SER HB3 H 1 4.091 0.000 . . . . . . . 116 S HB3 . 52600 1
1382 . 1 . 1 116 116 SER CA C 13 61.665 0.000 . . . . . . . 116 S CA . 52600 1
1383 . 1 . 1 116 116 SER CB C 13 62.748 0.000 . . . . . . . 116 S CB . 52600 1
1384 . 1 . 1 116 116 SER N N 15 115.079 0.000 . . . . . . . 116 S N . 52600 1
1385 . 1 . 1 117 117 ASN H H 1 8.079 0.000 . . . . . . . 117 N H . 52600 1
1386 . 1 . 1 117 117 ASN HA H 1 4.548 0.000 . . . . . . . 117 N HA . 52600 1
1387 . 1 . 1 117 117 ASN HB2 H 1 1.732 0.010 . . . . . . . 117 N HB2 . 52600 1
1388 . 1 . 1 117 117 ASN HB3 H 1 3.317 0.010 . . . . . . . 117 N HB3 . 52600 1
1389 . 1 . 1 117 117 ASN HD21 H 1 7.608 0.010 . . . . . . . 117 N HD21 . 52600 1
1390 . 1 . 1 117 117 ASN HD22 H 1 8.084 0.010 . . . . . . . 117 N HD22 . 52600 1
1391 . 1 . 1 117 117 ASN CA C 13 56.172 0.000 . . . . . . . 117 N CA . 52600 1
1392 . 1 . 1 117 117 ASN CB C 13 37.713 0.010 . . . . . . . 117 N CB . 52600 1
1393 . 1 . 1 117 117 ASN N N 15 121.585 0.000 . . . . . . . 117 N N . 52600 1
1394 . 1 . 1 117 117 ASN ND2 N 15 120.310 0.000 . . . . . . . 117 N ND2 . 52600 1
1395 . 1 . 1 118 118 LEU H H 1 9.182 0.000 . . . . . . . 118 L H . 52600 1
1396 . 1 . 1 118 118 LEU HA H 1 4.100 0.000 . . . . . . . 118 L HA . 52600 1
1397 . 1 . 1 118 118 LEU HB2 H 1 1.378 0.000 . . . . . . . 118 L HB2 . 52600 1
1398 . 1 . 1 118 118 LEU HB3 H 1 1.958 0.000 . . . . . . . 118 L HB3 . 52600 1
1399 . 1 . 1 118 118 LEU HG H 1 1.373 0.000 . . . . . . . 118 L HG . 52600 1
1400 . 1 . 1 118 118 LEU HD11 H 1 0.600 0.000 . . . . . . . 118 L QD1 . 52600 1
1401 . 1 . 1 118 118 LEU HD12 H 1 0.600 0.000 . . . . . . . 118 L QD1 . 52600 1
1402 . 1 . 1 118 118 LEU HD13 H 1 0.600 0.000 . . . . . . . 118 L QD1 . 52600 1
1403 . 1 . 1 118 118 LEU HD21 H 1 -0.296 0.000 . . . . . . . 118 L QD2 . 52600 1
1404 . 1 . 1 118 118 LEU HD22 H 1 -0.296 0.000 . . . . . . . 118 L QD2 . 52600 1
1405 . 1 . 1 118 118 LEU HD23 H 1 -0.296 0.000 . . . . . . . 118 L QD2 . 52600 1
1406 . 1 . 1 118 118 LEU CA C 13 58.425 0.000 . . . . . . . 118 L CA . 52600 1
1407 . 1 . 1 118 118 LEU CB C 13 40.498 0.000 . . . . . . . 118 L CB . 52600 1
1408 . 1 . 1 118 118 LEU CG C 13 26.303 0.000 . . . . . . . 118 L CG . 52600 1
1409 . 1 . 1 118 118 LEU CD1 C 13 22.742 0.000 . . . . . . . 118 L CD1 . 52600 1
1410 . 1 . 1 118 118 LEU CD2 C 13 24.147 0.000 . . . . . . . 118 L CD2 . 52600 1
1411 . 1 . 1 118 118 LEU N N 15 121.543 0.000 . . . . . . . 118 L N . 52600 1
1412 . 1 . 1 119 119 ASN H H 1 8.500 0.000 . . . . . . . 119 N H . 52600 1
1413 . 1 . 1 119 119 ASN HA H 1 4.527 0.000 . . . . . . . 119 N HA . 52600 1
1414 . 1 . 1 119 119 ASN HB2 H 1 2.970 0.000 . . . . . . . 119 N HB2 . 52600 1
1415 . 1 . 1 119 119 ASN HB3 H 1 3.195 0.000 . . . . . . . 119 N HB3 . 52600 1
1416 . 1 . 1 119 119 ASN HD21 H 1 7.170 0.000 . . . . . . . 119 N HD21 . 52600 1
1417 . 1 . 1 119 119 ASN HD22 H 1 7.778 0.010 . . . . . . . 119 N HD22 . 52600 1
1418 . 1 . 1 119 119 ASN CA C 13 55.978 0.000 . . . . . . . 119 N CA . 52600 1
1419 . 1 . 1 119 119 ASN CB C 13 37.257 0.000 . . . . . . . 119 N CB . 52600 1
1420 . 1 . 1 119 119 ASN N N 15 119.156 0.000 . . . . . . . 119 N N . 52600 1
1421 . 1 . 1 119 119 ASN ND2 N 15 111.226 0.010 . . . . . . . 119 N ND2 . 52600 1
1422 . 1 . 1 120 120 GLN H H 1 7.611 0.000 . . . . . . . 120 Q H . 52600 1
1423 . 1 . 1 120 120 GLN HA H 1 4.131 0.000 . . . . . . . 120 Q HA . 52600 1
1424 . 1 . 1 120 120 GLN HB2 H 1 2.370 0.000 . . . . . . . 120 Q HB2 . 52600 1
1425 . 1 . 1 120 120 GLN HB3 H 1 2.380 0.000 . . . . . . . 120 Q HB3 . 52600 1
1426 . 1 . 1 120 120 GLN HG2 H 1 2.641 0.000 . . . . . . . 120 Q HG2 . 52600 1
1427 . 1 . 1 120 120 GLN HG3 H 1 2.644 0.000 . . . . . . . 120 Q HG3 . 52600 1
1428 . 1 . 1 120 120 GLN HE21 H 1 7.173 0.010 . . . . . . . 120 Q HE21 . 52600 1
1429 . 1 . 1 120 120 GLN HE22 H 1 7.360 0.010 . . . . . . . 120 Q HE22 . 52600 1
1430 . 1 . 1 120 120 GLN CA C 13 59.043 0.000 . . . . . . . 120 Q CA . 52600 1
1431 . 1 . 1 120 120 GLN CB C 13 29.528 0.000 . . . . . . . 120 Q CB . 52600 1
1432 . 1 . 1 120 120 GLN CG C 13 34.715 0.000 . . . . . . . 120 Q CG . 52600 1
1433 . 1 . 1 120 120 GLN N N 15 120.248 0.000 . . . . . . . 120 Q N . 52600 1
1434 . 1 . 1 120 120 GLN NE2 N 15 117.426 0.010 . . . . . . . 120 Q NE2 . 52600 1
1435 . 1 . 1 121 121 ILE H H 1 8.492 0.000 . . . . . . . 121 I H . 52600 1
1436 . 1 . 1 121 121 ILE HA H 1 3.198 0.010 . . . . . . . 121 I HA . 52600 1
1437 . 1 . 1 121 121 ILE HB H 1 1.732 0.010 . . . . . . . 121 I HB . 52600 1
1438 . 1 . 1 121 121 ILE HG12 H 1 0.594 0.000 . . . . . . . 121 I HG12 . 52600 1
1439 . 1 . 1 121 121 ILE HG13 H 1 0.841 0.000 . . . . . . . 121 I HG13 . 52600 1
1440 . 1 . 1 121 121 ILE HG21 H 1 0.985 0.010 . . . . . . . 121 I QG2 . 52600 1
1441 . 1 . 1 121 121 ILE HG22 H 1 0.985 0.010 . . . . . . . 121 I QG2 . 52600 1
1442 . 1 . 1 121 121 ILE HG23 H 1 0.985 0.010 . . . . . . . 121 I QG2 . 52600 1
1443 . 1 . 1 121 121 ILE HD11 H 1 0.764 0.000 . . . . . . . 121 I QD1 . 52600 1
1444 . 1 . 1 121 121 ILE HD12 H 1 0.764 0.000 . . . . . . . 121 I QD1 . 52600 1
1445 . 1 . 1 121 121 ILE HD13 H 1 0.764 0.000 . . . . . . . 121 I QD1 . 52600 1
1446 . 1 . 1 121 121 ILE CA C 13 65.564 0.000 . . . . . . . 121 I CA . 52600 1
1447 . 1 . 1 121 121 ILE CB C 13 37.235 0.010 . . . . . . . 121 I CB . 52600 1
1448 . 1 . 1 121 121 ILE CG1 C 13 22.901 0.000 . . . . . . . 121 I CG1 . 52600 1
1449 . 1 . 1 121 121 ILE CG2 C 13 18.198 0.000 . . . . . . . 121 I CG2 . 52600 1
1450 . 1 . 1 121 121 ILE CD1 C 13 14.299 0.000 . . . . . . . 121 I CD1 . 52600 1
1451 . 1 . 1 121 121 ILE N N 15 121.744 0.000 . . . . . . . 121 I N . 52600 1
1452 . 1 . 1 122 122 GLN H H 1 8.588 0.000 . . . . . . . 122 Q H . 52600 1
1453 . 1 . 1 122 122 GLN HA H 1 3.125 0.000 . . . . . . . 122 Q HA . 52600 1
1454 . 1 . 1 122 122 GLN HB2 H 1 2.207 0.000 . . . . . . . 122 Q HB2 . 52600 1
1455 . 1 . 1 122 122 GLN HB3 H 1 2.472 0.010 . . . . . . . 122 Q HB3 . 52600 1
1456 . 1 . 1 122 122 GLN HG2 H 1 2.428 0.000 . . . . . . . 122 Q HG2 . 52600 1
1457 . 1 . 1 122 122 GLN HG3 H 1 2.464 0.000 . . . . . . . 122 Q HG3 . 52600 1
1458 . 1 . 1 122 122 GLN HE21 H 1 7.165 0.010 . . . . . . . 122 Q HE21 . 52600 1
1459 . 1 . 1 122 122 GLN HE22 H 1 7.297 0.010 . . . . . . . 122 Q HE22 . 52600 1
1460 . 1 . 1 122 122 GLN CA C 13 58.852 0.000 . . . . . . . 122 Q CA . 52600 1
1461 . 1 . 1 122 122 GLN CB C 13 28.250 0.000 . . . . . . . 122 Q CB . 52600 1
1462 . 1 . 1 122 122 GLN CG C 13 33.904 0.000 . . . . . . . 122 Q CG . 52600 1
1463 . 1 . 1 122 122 GLN N N 15 119.640 0.000 . . . . . . . 122 Q N . 52600 1
1464 . 1 . 1 122 122 GLN NE2 N 15 114.402 0.010 . . . . . . . 122 Q NE2 . 52600 1
1465 . 1 . 1 123 123 GLN H H 1 7.182 0.000 . . . . . . . 123 Q H . 52600 1
1466 . 1 . 1 123 123 GLN HA H 1 4.007 0.010 . . . . . . . 123 Q HA . 52600 1
1467 . 1 . 1 123 123 GLN HB2 H 1 2.193 0.000 . . . . . . . 123 Q HB2 . 52600 1
1468 . 1 . 1 123 123 GLN HB3 H 1 2.530 0.010 . . . . . . . 123 Q HB3 . 52600 1
1469 . 1 . 1 123 123 GLN HG2 H 1 2.199 0.000 . . . . . . . 123 Q HG2 . 52600 1
1470 . 1 . 1 123 123 GLN HG3 H 1 2.470 0.010 . . . . . . . 123 Q HG3 . 52600 1
1471 . 1 . 1 123 123 GLN HE21 H 1 6.835 0.000 . . . . . . . 123 Q HE21 . 52600 1
1472 . 1 . 1 123 123 GLN HE22 H 1 7.459 0.010 . . . . . . . 123 Q HE22 . 52600 1
1473 . 1 . 1 123 123 GLN CA C 13 58.982 0.000 . . . . . . . 123 Q CA . 52600 1
1474 . 1 . 1 123 123 GLN CB C 13 28.169 0.000 . . . . . . . 123 Q CB . 52600 1
1475 . 1 . 1 123 123 GLN CG C 13 33.928 0.000 . . . . . . . 123 Q CG . 52600 1
1476 . 1 . 1 123 123 GLN N N 15 117.114 0.000 . . . . . . . 123 Q N . 52600 1
1477 . 1 . 1 123 123 GLN NE2 N 15 111.897 0.000 . . . . . . . 123 Q NE2 . 52600 1
1478 . 1 . 1 124 124 ILE H H 1 7.392 0.000 . . . . . . . 124 I H . 52600 1
1479 . 1 . 1 124 124 ILE HA H 1 3.787 0.000 . . . . . . . 124 I HA . 52600 1
1480 . 1 . 1 124 124 ILE HB H 1 1.900 0.000 . . . . . . . 124 I HB . 52600 1
1481 . 1 . 1 124 124 ILE HG12 H 1 1.117 0.000 . . . . . . . 124 I HG12 . 52600 1
1482 . 1 . 1 124 124 ILE HG13 H 1 1.747 0.000 . . . . . . . 124 I HG13 . 52600 1
1483 . 1 . 1 124 124 ILE HG21 H 1 0.981 0.000 . . . . . . . 124 I QG2 . 52600 1
1484 . 1 . 1 124 124 ILE HG22 H 1 0.981 0.000 . . . . . . . 124 I QG2 . 52600 1
1485 . 1 . 1 124 124 ILE HG23 H 1 0.981 0.000 . . . . . . . 124 I QG2 . 52600 1
1486 . 1 . 1 124 124 ILE HD11 H 1 0.756 0.000 . . . . . . . 124 I QD1 . 52600 1
1487 . 1 . 1 124 124 ILE HD12 H 1 0.756 0.000 . . . . . . . 124 I QD1 . 52600 1
1488 . 1 . 1 124 124 ILE HD13 H 1 0.756 0.000 . . . . . . . 124 I QD1 . 52600 1
1489 . 1 . 1 124 124 ILE CA C 13 65.507 0.000 . . . . . . . 124 I CA . 52600 1
1490 . 1 . 1 124 124 ILE CB C 13 38.536 0.000 . . . . . . . 124 I CB . 52600 1
1491 . 1 . 1 124 124 ILE CG1 C 13 29.310 0.000 . . . . . . . 124 I CG1 . 52600 1
1492 . 1 . 1 124 124 ILE CG2 C 13 18.310 0.000 . . . . . . . 124 I CG2 . 52600 1
1493 . 1 . 1 124 124 ILE CD1 C 13 14.291 0.000 . . . . . . . 124 I CD1 . 52600 1
1494 . 1 . 1 124 124 ILE N N 15 121.124 0.000 . . . . . . . 124 I N . 52600 1
1495 . 1 . 1 125 125 ILE H H 1 8.085 0.000 . . . . . . . 125 I H . 52600 1
1496 . 1 . 1 125 125 ILE HA H 1 3.342 0.000 . . . . . . . 125 I HA . 52600 1
1497 . 1 . 1 125 125 ILE HB H 1 1.163 0.000 . . . . . . . 125 I HB . 52600 1
1498 . 1 . 1 125 125 ILE HG12 H 1 0.804 0.000 . . . . . . . 125 I HG12 . 52600 1
1499 . 1 . 1 125 125 ILE HG13 H 1 0.806 0.010 . . . . . . . 125 I HG13 . 52600 1
1500 . 1 . 1 125 125 ILE HG21 H 1 0.372 0.000 . . . . . . . 125 I QG2 . 52600 1
1501 . 1 . 1 125 125 ILE HG22 H 1 0.372 0.000 . . . . . . . 125 I QG2 . 52600 1
1502 . 1 . 1 125 125 ILE HG23 H 1 0.372 0.000 . . . . . . . 125 I QG2 . 52600 1
1503 . 1 . 1 125 125 ILE HD11 H 1 0.371 0.000 . . . . . . . 125 I QD1 . 52600 1
1504 . 1 . 1 125 125 ILE HD12 H 1 0.371 0.000 . . . . . . . 125 I QD1 . 52600 1
1505 . 1 . 1 125 125 ILE HD13 H 1 0.371 0.000 . . . . . . . 125 I QD1 . 52600 1
1506 . 1 . 1 125 125 ILE CA C 13 66.070 0.000 . . . . . . . 125 I CA . 52600 1
1507 . 1 . 1 125 125 ILE CB C 13 37.706 0.000 . . . . . . . 125 I CB . 52600 1
1508 . 1 . 1 125 125 ILE CG1 C 13 29.064 0.000 . . . . . . . 125 I CG1 . 52600 1
1509 . 1 . 1 125 125 ILE CG2 C 13 16.082 0.000 . . . . . . . 125 I CG2 . 52600 1
1510 . 1 . 1 125 125 ILE CD1 C 13 16.082 0.000 . . . . . . . 125 I CD1 . 52600 1
1511 . 1 . 1 125 125 ILE N N 15 120.289 0.000 . . . . . . . 125 I N . 52600 1
1512 . 1 . 1 126 126 THR H H 1 8.315 0.000 . . . . . . . 126 T H . 52600 1
1513 . 1 . 1 126 126 THR HA H 1 3.989 0.000 . . . . . . . 126 T HA . 52600 1
1514 . 1 . 1 126 126 THR HB H 1 4.195 0.000 . . . . . . . 126 T HB . 52600 1
1515 . 1 . 1 126 126 THR HG21 H 1 1.237 0.000 . . . . . . . 126 T QG2 . 52600 1
1516 . 1 . 1 126 126 THR HG22 H 1 1.237 0.000 . . . . . . . 126 T QG2 . 52600 1
1517 . 1 . 1 126 126 THR HG23 H 1 1.237 0.000 . . . . . . . 126 T QG2 . 52600 1
1518 . 1 . 1 126 126 THR CA C 13 66.820 0.000 . . . . . . . 126 T CA . 52600 1
1519 . 1 . 1 126 126 THR CB C 13 68.835 0.000 . . . . . . . 126 T CB . 52600 1
1520 . 1 . 1 126 126 THR CG2 C 13 21.939 0.000 . . . . . . . 126 T CG2 . 52600 1
1521 . 1 . 1 126 126 THR N N 15 116.459 0.000 . . . . . . . 126 T N . 52600 1
1522 . 1 . 1 127 127 GLU H H 1 7.937 0.000 . . . . . . . 127 E H . 52600 1
1523 . 1 . 1 127 127 GLU HA H 1 4.166 0.010 . . . . . . . 127 E HA . 52600 1
1524 . 1 . 1 127 127 GLU HB2 H 1 2.093 0.010 . . . . . . . 127 E HB2 . 52600 1
1525 . 1 . 1 127 127 GLU HB3 H 1 2.170 0.010 . . . . . . . 127 E HB3 . 52600 1
1526 . 1 . 1 127 127 GLU HG2 H 1 2.288 0.010 . . . . . . . 127 E HG2 . 52600 1
1527 . 1 . 1 127 127 GLU HG3 H 1 2.291 0.010 . . . . . . . 127 E HG3 . 52600 1
1528 . 1 . 1 127 127 GLU CA C 13 59.592 0.000 . . . . . . . 127 E CA . 52600 1
1529 . 1 . 1 127 127 GLU CB C 13 29.309 0.000 . . . . . . . 127 E CB . 52600 1
1530 . 1 . 1 127 127 GLU CG C 13 36.064 0.000 . . . . . . . 127 E CG . 52600 1
1531 . 1 . 1 127 127 GLU N N 15 121.732 0.000 . . . . . . . 127 E N . 52600 1
1532 . 1 . 1 128 128 ALA H H 1 8.285 0.000 . . . . . . . 128 A H . 52600 1
1533 . 1 . 1 128 128 ALA HA H 1 3.852 0.000 . . . . . . . 128 A HA . 52600 1
1534 . 1 . 1 128 128 ALA HB1 H 1 1.322 0.000 . . . . . . . 128 A HB# . 52600 1
1535 . 1 . 1 128 128 ALA HB2 H 1 1.322 0.000 . . . . . . . 128 A HB# . 52600 1
1536 . 1 . 1 128 128 ALA HB3 H 1 1.322 0.000 . . . . . . . 128 A HB# . 52600 1
1537 . 1 . 1 128 128 ALA CA C 13 54.930 0.000 . . . . . . . 128 A CA . 52600 1
1538 . 1 . 1 128 128 ALA CB C 13 19.733 0.000 . . . . . . . 128 A CB . 52600 1
1539 . 1 . 1 128 128 ALA N N 15 122.313 0.000 . . . . . . . 128 A N . 52600 1
1540 . 1 . 1 129 129 GLN H H 1 8.406 0.000 . . . . . . . 129 Q H . 52600 1
1541 . 1 . 1 129 129 GLN HA H 1 4.054 0.000 . . . . . . . 129 Q HA . 52600 1
1542 . 1 . 1 129 129 GLN HB2 H 1 2.386 0.000 . . . . . . . 129 Q HB2 . 52600 1
1543 . 1 . 1 129 129 GLN HB3 H 1 2.388 0.000 . . . . . . . 129 Q HB3 . 52600 1
1544 . 1 . 1 129 129 GLN HG2 H 1 2.702 0.000 . . . . . . . 129 Q HG2 . 52600 1
1545 . 1 . 1 129 129 GLN HG3 H 1 2.706 0.000 . . . . . . . 129 Q HG3 . 52600 1
1546 . 1 . 1 129 129 GLN HE21 H 1 6.768 0.000 . . . . . . . 129 Q HE21 . 52600 1
1547 . 1 . 1 129 129 GLN HE22 H 1 6.774 0.010 . . . . . . . 129 Q HE22 . 52600 1
1548 . 1 . 1 129 129 GLN CA C 13 58.929 0.000 . . . . . . . 129 Q CA . 52600 1
1549 . 1 . 1 129 129 GLN CB C 13 29.450 0.000 . . . . . . . 129 Q CB . 52600 1
1550 . 1 . 1 129 129 GLN CG C 13 35.364 0.000 . . . . . . . 129 Q CG . 52600 1
1551 . 1 . 1 129 129 GLN N N 15 117.226 0.000 . . . . . . . 129 Q N . 52600 1
1552 . 1 . 1 129 129 GLN NE2 N 15 111.239 0.000 . . . . . . . 129 Q NE2 . 52600 1
1553 . 1 . 1 130 130 LYS H H 1 7.557 0.000 . . . . . . . 130 K H . 52600 1
1554 . 1 . 1 130 130 LYS HA H 1 4.197 0.000 . . . . . . . 130 K HA . 52600 1
1555 . 1 . 1 130 130 LYS HB2 H 1 1.933 0.010 . . . . . . . 130 K HB2 . 52600 1
1556 . 1 . 1 130 130 LYS HB3 H 1 1.983 0.000 . . . . . . . 130 K HB3 . 52600 1
1557 . 1 . 1 130 130 LYS HG2 H 1 1.680 0.010 . . . . . . . 130 K HG2 . 52600 1
1558 . 1 . 1 130 130 LYS HG3 H 1 1.688 0.000 . . . . . . . 130 K HG3 . 52600 1
1559 . 1 . 1 130 130 LYS HD2 H 1 1.489 0.000 . . . . . . . 130 K HD2 . 52600 1
1560 . 1 . 1 130 130 LYS HD3 H 1 1.698 0.000 . . . . . . . 130 K HD3 . 52600 1
1561 . 1 . 1 130 130 LYS HE2 H 1 2.935 0.000 . . . . . . . 130 K HE2 . 52600 1
1562 . 1 . 1 130 130 LYS HE3 H 1 2.948 0.000 . . . . . . . 130 K HE3 . 52600 1
1563 . 1 . 1 130 130 LYS CA C 13 57.759 0.000 . . . . . . . 130 K CA . 52600 1
1564 . 1 . 1 130 130 LYS CB C 13 32.611 0.000 . . . . . . . 130 K CB . 52600 1
1565 . 1 . 1 130 130 LYS CG C 13 25.455 0.000 . . . . . . . 130 K CG . 52600 1
1566 . 1 . 1 130 130 LYS CD C 13 29.422 0.000 . . . . . . . 130 K CD . 52600 1
1567 . 1 . 1 130 130 LYS CE C 13 42.087 0.000 . . . . . . . 130 K CE . 52600 1
1568 . 1 . 1 130 130 LYS N N 15 117.546 0.000 . . . . . . . 130 K N . 52600 1
1569 . 1 . 1 131 131 ARG H H 1 7.360 0.000 . . . . . . . 131 R H . 52600 1
1570 . 1 . 1 131 131 ARG HA H 1 4.296 0.000 . . . . . . . 131 R HA . 52600 1
1571 . 1 . 1 131 131 ARG HB2 H 1 1.753 0.010 . . . . . . . 131 R HB2 . 52600 1
1572 . 1 . 1 131 131 ARG HB3 H 1 1.919 0.010 . . . . . . . 131 R HB3 . 52600 1
1573 . 1 . 1 131 131 ARG HG2 H 1 1.649 0.010 . . . . . . . 131 R HG2 . 52600 1
1574 . 1 . 1 131 131 ARG HG3 H 1 1.793 0.010 . . . . . . . 131 R HG3 . 52600 1
1575 . 1 . 1 131 131 ARG HD2 H 1 3.148 0.000 . . . . . . . 131 R HD2 . 52600 1
1576 . 1 . 1 131 131 ARG HD3 H 1 3.336 0.000 . . . . . . . 131 R HD3 . 52600 1
1577 . 1 . 1 131 131 ARG HE H 1 7.422 0.000 . . . . . . . 131 R HE . 52600 1
1578 . 1 . 1 131 131 ARG CA C 13 56.667 0.000 . . . . . . . 131 R CA . 52600 1
1579 . 1 . 1 131 131 ARG CB C 13 31.175 0.010 . . . . . . . 131 R CB . 52600 1
1580 . 1 . 1 131 131 ARG CG C 13 27.202 0.000 . . . . . . . 131 R CG . 52600 1
1581 . 1 . 1 131 131 ARG CD C 13 43.479 0.000 . . . . . . . 131 R CD . 52600 1
1582 . 1 . 1 131 131 ARG N N 15 117.582 0.000 . . . . . . . 131 R N . 52600 1
1583 . 1 . 1 132 132 LEU H H 1 7.420 0.000 . . . . . . . 132 L H . 52600 1
1584 . 1 . 1 132 132 LEU HA H 1 4.135 0.000 . . . . . . . 132 L HA . 52600 1
1585 . 1 . 1 132 132 LEU HB2 H 1 1.546 0.000 . . . . . . . 132 L HB2 . 52600 1
1586 . 1 . 1 132 132 LEU HB3 H 1 1.618 0.000 . . . . . . . 132 L HB3 . 52600 1
1587 . 1 . 1 132 132 LEU HG H 1 0.844 0.010 . . . . . . . 132 L HG . 52600 1
1588 . 1 . 1 132 132 LEU HD11 H 1 0.830 0.010 . . . . . . . 132 L QD1 . 52600 1
1589 . 1 . 1 132 132 LEU HD12 H 1 0.830 0.010 . . . . . . . 132 L QD1 . 52600 1
1590 . 1 . 1 132 132 LEU HD13 H 1 0.830 0.010 . . . . . . . 132 L QD1 . 52600 1
1591 . 1 . 1 132 132 LEU HD21 H 1 0.824 0.000 . . . . . . . 132 L QD2 . 52600 1
1592 . 1 . 1 132 132 LEU HD22 H 1 0.824 0.000 . . . . . . . 132 L QD2 . 52600 1
1593 . 1 . 1 132 132 LEU HD23 H 1 0.824 0.000 . . . . . . . 132 L QD2 . 52600 1
1594 . 1 . 1 132 132 LEU CA C 13 57.010 0.000 . . . . . . . 132 L CA . 52600 1
1595 . 1 . 1 132 132 LEU CB C 13 43.249 0.000 . . . . . . . 132 L CB . 52600 1
1596 . 1 . 1 132 132 LEU CG C 13 27.210 0.010 . . . . . . . 132 L CG . 52600 1
1597 . 1 . 1 132 132 LEU CD1 C 13 23.478 0.000 . . . . . . . 132 L CD1 . 52600 1
1598 . 1 . 1 132 132 LEU CD2 C 13 23.515 0.010 . . . . . . . 132 L CD2 . 52600 1
1599 . 1 . 1 132 132 LEU N N 15 126.859 0.000 . . . . . . . 132 L N . 52600 1
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