data_17045
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 17045
_Entry.Title
;
KSR1 CA1 domain
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-07-06
_Entry.Accession_date 2010-07-06
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.13
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Dorothy Koveal . . . 17045
2 Anderson Pinheiro . . . 17045
3 Wolfgang Peti . . . 17045
4 Rebecca Page . . . 17045
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
1 . 'Brown University' . 17045
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 17045
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 621 17045
'15N chemical shifts' 159 17045
'1H chemical shifts' 1067 17045
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
2 . . 2011-03-24 2010-07-06 update BMRB 'update entry citation' 17045
1 . . 2010-09-08 2010-07-06 original author 'original release' 17045
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2LPE 'BMRB Entry Tracking System' 17045
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 17045
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 20737253
_Citation.Full_citation .
_Citation.Title 'Backbone and side chain (1)H, (15)N and (13)C assignments of the KSR1 CA1 domain.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Biomol. NMR Assignments'
_Citation.Journal_name_full 'Biomolecular NMR assignments'
_Citation.Journal_volume 5
_Citation.Journal_issue 1
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 39
_Citation.Page_last 41
_Citation.Year 2011
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Dorothy Koveal . . . 17045 1
2 Anderson Pinheiro . S. . 17045 1
3 Wolfgang Peti . . . 17045 1
4 Rebecca Page . . . 17045 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 17045
_Assembly.ID 1
_Assembly.Name 'KSR1 CA1 monomer'
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'KSR1 CA1 monomer' 1 $KSR1_CA1 A . yes native no no . . . 17045 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_KSR1_CA1
_Entity.Sf_category entity
_Entity.Sf_framecode KSR1_CA1
_Entity.Entry_ID 17045
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name KSR1_CA1
_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
;
GHMDGGAGAAVSRALQQCGQ
LQKLIDISIGSLRGLRTKCS
VSNDLTQQEIRTLEAKLVKY
ICKQQQSKLSVTPSDRTAEL
NSYPRFSDWLYIFNVRPEVV
QEIPQELTLDALLEMDEAKA
KEMLRRWGASTEECSRLQQA
LTCLRKVTG
;
_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 149
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no BMRB 17724 . KSR1 . . . . . 100.00 149 100.00 100.00 1.34e-103 . . . . 17045 1
2 no BMRB 17725 . KSR1_CA1-CA1a . . . . . 97.99 172 100.00 100.00 1.55e-100 . . . . 17045 1
3 no BMRB 18740 . KSR1_CC-SAM . . . . . 100.00 149 100.00 100.00 1.34e-103 . . . . 17045 1
4 no PDB 2LPE . "Solution Nmr Structure Of The Ksr1 Ca1-Ca1a Domain" . . . . . 100.00 149 100.00 100.00 1.34e-103 . . . . 17045 1
5 no EMBL CAA57288 . "hb [Mus musculus]" . . . . . 81.88 426 100.00 100.00 1.14e-79 . . . . 17045 1
6 no GB AAC52382 . "protein kinase related to Raf protein kinases; Method: conceptual translation supplied by author [Mus musculus]" . . . . . 97.99 873 100.00 100.00 9.57e-93 . . . . 17045 1
7 no GB AAI68386 . "Kinase suppressor of ras 1 [synthetic construct]" . . . . . 97.99 873 100.00 100.00 9.57e-93 . . . . 17045 1
8 no GB ABK42251 . "Ksr1 [synthetic construct]" . . . . . 97.99 873 100.00 100.00 9.57e-93 . . . . 17045 1
9 no REF NP_038599 . "kinase suppressor of Ras 1 [Mus musculus]" . . . . . 97.99 873 100.00 100.00 9.57e-93 . . . . 17045 1
10 no REF XP_006246986 . "PREDICTED: kinase suppressor of Ras 1 isoform X4 [Rattus norvegicus]" . . . . . 97.99 915 97.26 98.63 4.20e-90 . . . . 17045 1
11 no REF XP_006246988 . "PREDICTED: kinase suppressor of Ras 1 isoform X7 [Rattus norvegicus]" . . . . . 97.99 888 97.26 98.63 2.03e-90 . . . . 17045 1
12 no REF XP_006246989 . "PREDICTED: kinase suppressor of Ras 1 isoform X6 [Rattus norvegicus]" . . . . . 97.99 874 97.26 98.63 1.87e-90 . . . . 17045 1
13 no REF XP_006532397 . "PREDICTED: kinase suppressor of Ras 1 isoform X4 [Mus musculus]" . . . . . 97.99 887 100.00 100.00 1.07e-92 . . . . 17045 1
14 no SP Q61097 . "RecName: Full=Kinase suppressor of Ras 1; Short=mKSR1; AltName: Full=Protein Hb" . . . . . 97.99 873 100.00 100.00 9.57e-93 . . . . 17045 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . GLY . 17045 1
2 . HIS . 17045 1
3 . MET . 17045 1
4 . ASP . 17045 1
5 . GLY . 17045 1
6 . GLY . 17045 1
7 . ALA . 17045 1
8 . GLY . 17045 1
9 . ALA . 17045 1
10 . ALA . 17045 1
11 . VAL . 17045 1
12 . SER . 17045 1
13 . ARG . 17045 1
14 . ALA . 17045 1
15 . LEU . 17045 1
16 . GLN . 17045 1
17 . GLN . 17045 1
18 . CYS . 17045 1
19 . GLY . 17045 1
20 . GLN . 17045 1
21 . LEU . 17045 1
22 . GLN . 17045 1
23 . LYS . 17045 1
24 . LEU . 17045 1
25 . ILE . 17045 1
26 . ASP . 17045 1
27 . ILE . 17045 1
28 . SER . 17045 1
29 . ILE . 17045 1
30 . GLY . 17045 1
31 . SER . 17045 1
32 . LEU . 17045 1
33 . ARG . 17045 1
34 . GLY . 17045 1
35 . LEU . 17045 1
36 . ARG . 17045 1
37 . THR . 17045 1
38 . LYS . 17045 1
39 . CYS . 17045 1
40 . SER . 17045 1
41 . VAL . 17045 1
42 . SER . 17045 1
43 . ASN . 17045 1
44 . ASP . 17045 1
45 . LEU . 17045 1
46 . THR . 17045 1
47 . GLN . 17045 1
48 . GLN . 17045 1
49 . GLU . 17045 1
50 . ILE . 17045 1
51 . ARG . 17045 1
52 . THR . 17045 1
53 . LEU . 17045 1
54 . GLU . 17045 1
55 . ALA . 17045 1
56 . LYS . 17045 1
57 . LEU . 17045 1
58 . VAL . 17045 1
59 . LYS . 17045 1
60 . TYR . 17045 1
61 . ILE . 17045 1
62 . CYS . 17045 1
63 . LYS . 17045 1
64 . GLN . 17045 1
65 . GLN . 17045 1
66 . GLN . 17045 1
67 . SER . 17045 1
68 . LYS . 17045 1
69 . LEU . 17045 1
70 . SER . 17045 1
71 . VAL . 17045 1
72 . THR . 17045 1
73 . PRO . 17045 1
74 . SER . 17045 1
75 . ASP . 17045 1
76 . ARG . 17045 1
77 . THR . 17045 1
78 . ALA . 17045 1
79 . GLU . 17045 1
80 . LEU . 17045 1
81 . ASN . 17045 1
82 . SER . 17045 1
83 . TYR . 17045 1
84 . PRO . 17045 1
85 . ARG . 17045 1
86 . PHE . 17045 1
87 . SER . 17045 1
88 . ASP . 17045 1
89 . TRP . 17045 1
90 . LEU . 17045 1
91 . TYR . 17045 1
92 . ILE . 17045 1
93 . PHE . 17045 1
94 . ASN . 17045 1
95 . VAL . 17045 1
96 . ARG . 17045 1
97 . PRO . 17045 1
98 . GLU . 17045 1
99 . VAL . 17045 1
100 . VAL . 17045 1
101 . GLN . 17045 1
102 . GLU . 17045 1
103 . ILE . 17045 1
104 . PRO . 17045 1
105 . GLN . 17045 1
106 . GLU . 17045 1
107 . LEU . 17045 1
108 . THR . 17045 1
109 . LEU . 17045 1
110 . ASP . 17045 1
111 . ALA . 17045 1
112 . LEU . 17045 1
113 . LEU . 17045 1
114 . GLU . 17045 1
115 . MET . 17045 1
116 . ASP . 17045 1
117 . GLU . 17045 1
118 . ALA . 17045 1
119 . LYS . 17045 1
120 . ALA . 17045 1
121 . LYS . 17045 1
122 . GLU . 17045 1
123 . MET . 17045 1
124 . LEU . 17045 1
125 . ARG . 17045 1
126 . ARG . 17045 1
127 . TRP . 17045 1
128 . GLY . 17045 1
129 . ALA . 17045 1
130 . SER . 17045 1
131 . THR . 17045 1
132 . GLU . 17045 1
133 . GLU . 17045 1
134 . CYS . 17045 1
135 . SER . 17045 1
136 . ARG . 17045 1
137 . LEU . 17045 1
138 . GLN . 17045 1
139 . GLN . 17045 1
140 . ALA . 17045 1
141 . LEU . 17045 1
142 . THR . 17045 1
143 . CYS . 17045 1
144 . LEU . 17045 1
145 . ARG . 17045 1
146 . LYS . 17045 1
147 . VAL . 17045 1
148 . THR . 17045 1
149 . GLY . 17045 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
. GLY 1 1 17045 1
. HIS 2 2 17045 1
. MET 3 3 17045 1
. ASP 4 4 17045 1
. GLY 5 5 17045 1
. GLY 6 6 17045 1
. ALA 7 7 17045 1
. GLY 8 8 17045 1
. ALA 9 9 17045 1
. ALA 10 10 17045 1
. VAL 11 11 17045 1
. SER 12 12 17045 1
. ARG 13 13 17045 1
. ALA 14 14 17045 1
. LEU 15 15 17045 1
. GLN 16 16 17045 1
. GLN 17 17 17045 1
. CYS 18 18 17045 1
. GLY 19 19 17045 1
. GLN 20 20 17045 1
. LEU 21 21 17045 1
. GLN 22 22 17045 1
. LYS 23 23 17045 1
. LEU 24 24 17045 1
. ILE 25 25 17045 1
. ASP 26 26 17045 1
. ILE 27 27 17045 1
. SER 28 28 17045 1
. ILE 29 29 17045 1
. GLY 30 30 17045 1
. SER 31 31 17045 1
. LEU 32 32 17045 1
. ARG 33 33 17045 1
. GLY 34 34 17045 1
. LEU 35 35 17045 1
. ARG 36 36 17045 1
. THR 37 37 17045 1
. LYS 38 38 17045 1
. CYS 39 39 17045 1
. SER 40 40 17045 1
. VAL 41 41 17045 1
. SER 42 42 17045 1
. ASN 43 43 17045 1
. ASP 44 44 17045 1
. LEU 45 45 17045 1
. THR 46 46 17045 1
. GLN 47 47 17045 1
. GLN 48 48 17045 1
. GLU 49 49 17045 1
. ILE 50 50 17045 1
. ARG 51 51 17045 1
. THR 52 52 17045 1
. LEU 53 53 17045 1
. GLU 54 54 17045 1
. ALA 55 55 17045 1
. LYS 56 56 17045 1
. LEU 57 57 17045 1
. VAL 58 58 17045 1
. LYS 59 59 17045 1
. TYR 60 60 17045 1
. ILE 61 61 17045 1
. CYS 62 62 17045 1
. LYS 63 63 17045 1
. GLN 64 64 17045 1
. GLN 65 65 17045 1
. GLN 66 66 17045 1
. SER 67 67 17045 1
. LYS 68 68 17045 1
. LEU 69 69 17045 1
. SER 70 70 17045 1
. VAL 71 71 17045 1
. THR 72 72 17045 1
. PRO 73 73 17045 1
. SER 74 74 17045 1
. ASP 75 75 17045 1
. ARG 76 76 17045 1
. THR 77 77 17045 1
. ALA 78 78 17045 1
. GLU 79 79 17045 1
. LEU 80 80 17045 1
. ASN 81 81 17045 1
. SER 82 82 17045 1
. TYR 83 83 17045 1
. PRO 84 84 17045 1
. ARG 85 85 17045 1
. PHE 86 86 17045 1
. SER 87 87 17045 1
. ASP 88 88 17045 1
. TRP 89 89 17045 1
. LEU 90 90 17045 1
. TYR 91 91 17045 1
. ILE 92 92 17045 1
. PHE 93 93 17045 1
. ASN 94 94 17045 1
. VAL 95 95 17045 1
. ARG 96 96 17045 1
. PRO 97 97 17045 1
. GLU 98 98 17045 1
. VAL 99 99 17045 1
. VAL 100 100 17045 1
. GLN 101 101 17045 1
. GLU 102 102 17045 1
. ILE 103 103 17045 1
. PRO 104 104 17045 1
. GLN 105 105 17045 1
. GLU 106 106 17045 1
. LEU 107 107 17045 1
. THR 108 108 17045 1
. LEU 109 109 17045 1
. ASP 110 110 17045 1
. ALA 111 111 17045 1
. LEU 112 112 17045 1
. LEU 113 113 17045 1
. GLU 114 114 17045 1
. MET 115 115 17045 1
. ASP 116 116 17045 1
. GLU 117 117 17045 1
. ALA 118 118 17045 1
. LYS 119 119 17045 1
. ALA 120 120 17045 1
. LYS 121 121 17045 1
. GLU 122 122 17045 1
. MET 123 123 17045 1
. LEU 124 124 17045 1
. ARG 125 125 17045 1
. ARG 126 126 17045 1
. TRP 127 127 17045 1
. GLY 128 128 17045 1
. ALA 129 129 17045 1
. SER 130 130 17045 1
. THR 131 131 17045 1
. GLU 132 132 17045 1
. GLU 133 133 17045 1
. CYS 134 134 17045 1
. SER 135 135 17045 1
. ARG 136 136 17045 1
. LEU 137 137 17045 1
. GLN 138 138 17045 1
. GLN 139 139 17045 1
. ALA 140 140 17045 1
. LEU 141 141 17045 1
. THR 142 142 17045 1
. CYS 143 143 17045 1
. LEU 144 144 17045 1
. ARG 145 145 17045 1
. LYS 146 146 17045 1
. VAL 147 147 17045 1
. THR 148 148 17045 1
. GLY 149 149 17045 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 17045
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $KSR1_CA1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17045 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source
_Entity_experimental_src_list.Entry_ID 17045
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $KSR1_CA1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pJexpress411 . . . . . . 17045 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 17045
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'KSR1 CA1' '[U-99% 13C; U-99% 15N]' . . 1 $KSR1_CA1 . . 2 . . mM . . . . 17045 1
2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17045 1
3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17045 1
4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 17045 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 17045
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '100% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'KSR1 CA1' 'natural abundance' . . 1 $KSR1_CA1 . . 2 . . mM . . . . 17045 2
2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17045 2
3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17045 2
4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 17045 2
stop_
save_
save_sample_3
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3
_Sample.Entry_ID 17045
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'KSR1 CA1' '[U-99% 15N]' . . 1 $KSR1_CA1 . . 2 . . mM . . . . 17045 3
2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17045 3
3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17045 3
4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 17045 3
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 17045
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.12 . M 17045 1
pH 6.5 . pH 17045 1
pressure 1 . atm 17045 1
temperature 298 . K 17045 1
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Software.Sf_category software
_Software.Sf_framecode TOPSPIN
_Software.Entry_ID 17045
_Software.ID 1
_Software.Name TOPSPIN
_Software.Version 2.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bruker Biospin' . . 17045 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 17045 1
processing 17045 1
stop_
save_
save_CARA
_Software.Sf_category software
_Software.Sf_framecode CARA
_Software.Entry_ID 17045
_Software.ID 2
_Software.Name CARA
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Keller and Wuthrich' . . 17045 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 17045 2
'peak picking' 17045 2
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 17045
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 17045
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 17045
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker Avance . 500 . . . 17045 1
2 spectrometer_2 Bruker Avance . 800 . . . 17045 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 17045
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1
2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1
3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1
4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1
5 '3D (H)CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1
6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1
7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1
8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17045 1
9 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17045 1
10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17045 1
11 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1
12 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17045 1
13 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1
14 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17045 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 17045
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17045 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17045 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17045 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 17045
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 17045 1
3 '3D HNCACB' . . . 17045 1
4 '3D CBCA(CO)NH' . . . 17045 1
6 '3D HBHA(CO)NH' . . . 17045 1
7 '3D HNCO' . . . 17045 1
8 '3D HCCH-TOCSY' . . . 17045 1
9 '3D 1H-15N NOESY' . . . 17045 1
12 '2D 1H-1H NOESY' . . . 17045 1
14 '3D HN(CA)CO' . . . 17045 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 3 3 MET HA H 1 4.437 0.015 . 1 . . . . 3 M HA . 17045 1
2 . 1 1 3 3 MET HB2 H 1 2.062 0.015 . 1 . . . . 3 M HB2 . 17045 1
3 . 1 1 3 3 MET HB3 H 1 1.921 0.015 . 1 . . . . 3 M HB3 . 17045 1
4 . 1 1 3 3 MET HE1 H 1 2.051 0.015 . 1 . . . . 3 M QE . 17045 1
5 . 1 1 3 3 MET HE2 H 1 2.051 0.015 . 1 . . . . 3 M QE . 17045 1
6 . 1 1 3 3 MET HE3 H 1 2.051 0.015 . 1 . . . . 3 M QE . 17045 1
7 . 1 1 3 3 MET HG2 H 1 2.469 0.015 . 1 . . . . 3 M HG2 . 17045 1
8 . 1 1 3 3 MET HG3 H 1 2.365 0.015 . 1 . . . . 3 M HG3 . 17045 1
9 . 1 1 3 3 MET C C 13 175.922 0.5 . 1 . . . . 3 M C . 17045 1
10 . 1 1 3 3 MET CA C 13 55.243 0.5 . 1 . . . . 3 M CA . 17045 1
11 . 1 1 3 3 MET CB C 13 32.181 0.5 . 1 . . . . 3 M CB . 17045 1
12 . 1 1 3 3 MET CE C 13 16.806 0.5 . 1 . . . . 3 M CE . 17045 1
13 . 1 1 3 3 MET CG C 13 31.701 0.5 . 1 . . . . 3 M CG . 17045 1
14 . 1 1 4 4 ASP H H 1 8.213 0.015 . 1 . . . . 4 D H . 17045 1
15 . 1 1 4 4 ASP HA H 1 4.582 0.015 . 1 . . . . 4 D HA . 17045 1
16 . 1 1 4 4 ASP HB2 H 1 2.673 0.015 . 1 . . . . 4 D QB . 17045 1
17 . 1 1 4 4 ASP HB3 H 1 2.673 0.015 . 1 . . . . 4 D QB . 17045 1
18 . 1 1 4 4 ASP C C 13 176.908 0.5 . 1 . . . . 4 D C . 17045 1
19 . 1 1 4 4 ASP CA C 13 54.763 0.5 . 1 . . . . 4 D CA . 17045 1
20 . 1 1 4 4 ASP CB C 13 41.310 0.5 . 1 . . . . 4 D CB . 17045 1
21 . 1 1 4 4 ASP N N 15 121.434 0.12 . 1 . . . . 4 D N . 17045 1
22 . 1 1 5 5 GLY H H 1 8.374 0.015 . 1 . . . . 5 G H . 17045 1
23 . 1 1 5 5 GLY HA2 H 1 3.940 0.015 . 1 . . . . 5 G QA . 17045 1
24 . 1 1 5 5 GLY HA3 H 1 3.940 0.015 . 1 . . . . 5 G QA . 17045 1
25 . 1 1 5 5 GLY C C 13 175.097 0.5 . 1 . . . . 5 G C . 17045 1
26 . 1 1 5 5 GLY CA C 13 45.634 0.5 . 1 . . . . 5 G CA . 17045 1
27 . 1 1 5 5 GLY N N 15 109.609 0.12 . 1 . . . . 5 G N . 17045 1
28 . 1 1 6 6 GLY H H 1 8.295 0.015 . 1 . . . . 6 G H . 17045 1
29 . 1 1 6 6 GLY HA2 H 1 3.960 0.015 . 1 . . . . 6 G QA . 17045 1
30 . 1 1 6 6 GLY HA3 H 1 3.960 0.015 . 1 . . . . 6 G QA . 17045 1
31 . 1 1 6 6 GLY C C 13 174.748 0.5 . 1 . . . . 6 G C . 17045 1
32 . 1 1 6 6 GLY CA C 13 45.153 0.5 . 1 . . . . 6 G CA . 17045 1
33 . 1 1 6 6 GLY N N 15 108.869 0.12 . 1 . . . . 6 G N . 17045 1
34 . 1 1 7 7 ALA H H 1 8.328 0.015 . 1 . . . . 7 A H . 17045 1
35 . 1 1 7 7 ALA HA H 1 4.267 0.015 . 1 . . . . 7 A HA . 17045 1
36 . 1 1 7 7 ALA HB1 H 1 1.391 0.015 . 1 . . . . 7 A QB . 17045 1
37 . 1 1 7 7 ALA HB2 H 1 1.391 0.015 . 1 . . . . 7 A QB . 17045 1
38 . 1 1 7 7 ALA HB3 H 1 1.391 0.015 . 1 . . . . 7 A QB . 17045 1
39 . 1 1 7 7 ALA C C 13 179.010 0.5 . 1 . . . . 7 A C . 17045 1
40 . 1 1 7 7 ALA CA C 13 53.802 0.5 . 1 . . . . 7 A CA . 17045 1
41 . 1 1 7 7 ALA CB C 13 19.209 0.5 . 1 . . . . 7 A CB . 17045 1
42 . 1 1 7 7 ALA N N 15 124.516 0.12 . 1 . . . . 7 A N . 17045 1
43 . 1 1 8 8 GLY H H 1 8.465 0.015 . 1 . . . . 8 G H . 17045 1
44 . 1 1 8 8 GLY HA2 H 1 3.907 0.015 . 1 . . . . 8 G QA . 17045 1
45 . 1 1 8 8 GLY HA3 H 1 3.907 0.015 . 1 . . . . 8 G QA . 17045 1
46 . 1 1 8 8 GLY C C 13 175.748 0.5 . 1 . . . . 8 G C . 17045 1
47 . 1 1 8 8 GLY CA C 13 46.114 0.5 . 1 . . . . 8 G CA . 17045 1
48 . 1 1 8 8 GLY N N 15 107.022 0.12 . 1 . . . . 8 G N . 17045 1
49 . 1 1 9 9 ALA H H 1 7.998 0.015 . 1 . . . . 9 A H . 17045 1
50 . 1 1 9 9 ALA HA H 1 4.206 0.015 . 1 . . . . 9 A HA . 17045 1
51 . 1 1 9 9 ALA HB1 H 1 1.426 0.015 . 1 . . . . 9 A QB . 17045 1
52 . 1 1 9 9 ALA HB2 H 1 1.426 0.015 . 1 . . . . 9 A QB . 17045 1
53 . 1 1 9 9 ALA HB3 H 1 1.426 0.015 . 1 . . . . 9 A QB . 17045 1
54 . 1 1 9 9 ALA C C 13 179.395 0.5 . 1 . . . . 9 A C . 17045 1
55 . 1 1 9 9 ALA CA C 13 54.282 0.5 . 1 . . . . 9 A CA . 17045 1
56 . 1 1 9 9 ALA CB C 13 18.728 0.5 . 1 . . . . 9 A CB . 17045 1
57 . 1 1 9 9 ALA N N 15 124.242 0.12 . 1 . . . . 9 A N . 17045 1
58 . 1 1 10 10 ALA H H 1 8.150 0.015 . 1 . . . . 10 A H . 17045 1
59 . 1 1 10 10 ALA HA H 1 4.075 0.015 . 1 . . . . 10 A HA . 17045 1
60 . 1 1 10 10 ALA HB1 H 1 1.533 0.015 . 1 . . . . 10 A QB . 17045 1
61 . 1 1 10 10 ALA HB2 H 1 1.533 0.015 . 1 . . . . 10 A QB . 17045 1
62 . 1 1 10 10 ALA HB3 H 1 1.533 0.015 . 1 . . . . 10 A QB . 17045 1
63 . 1 1 10 10 ALA C C 13 180.830 0.5 . 1 . . . . 10 A C . 17045 1
64 . 1 1 10 10 ALA CA C 13 55.243 0.5 . 1 . . . . 10 A CA . 17045 1
65 . 1 1 10 10 ALA CB C 13 18.248 0.5 . 1 . . . . 10 A CB . 17045 1
66 . 1 1 10 10 ALA N N 15 121.803 0.12 . 1 . . . . 10 A N . 17045 1
67 . 1 1 11 11 VAL H H 1 8.301 0.015 . 1 . . . . 11 V H . 17045 1
68 . 1 1 11 11 VAL HA H 1 3.638 0.015 . 1 . . . . 11 V HA . 17045 1
69 . 1 1 11 11 VAL HB H 1 2.167 0.015 . 1 . . . . 11 V HB . 17045 1
70 . 1 1 11 11 VAL HG11 H 1 1.157 0.015 . 2 . . . . 11 V QG1 . 17045 1
71 . 1 1 11 11 VAL HG12 H 1 1.157 0.015 . 2 . . . . 11 V QG1 . 17045 1
72 . 1 1 11 11 VAL HG13 H 1 1.157 0.015 . 2 . . . . 11 V QG1 . 17045 1
73 . 1 1 11 11 VAL HG21 H 1 1.048 0.015 . 2 . . . . 11 V QG2 . 17045 1
74 . 1 1 11 11 VAL HG22 H 1 1.048 0.015 . 2 . . . . 11 V QG2 . 17045 1
75 . 1 1 11 11 VAL HG23 H 1 1.048 0.015 . 2 . . . . 11 V QG2 . 17045 1
76 . 1 1 11 11 VAL C C 13 177.189 0.5 . 1 . . . . 11 V C . 17045 1
77 . 1 1 11 11 VAL CA C 13 66.294 0.5 . 1 . . . . 11 V CA . 17045 1
78 . 1 1 11 11 VAL CB C 13 31.701 0.5 . 1 . . . . 11 V CB . 17045 1
79 . 1 1 11 11 VAL CG1 C 13 24.013 0.5 . 1 . . . . 11 V CG1 . 17045 1
80 . 1 1 11 11 VAL CG2 C 13 21.131 0.5 . 1 . . . . 11 V CG2 . 17045 1
81 . 1 1 11 11 VAL N N 15 119.408 0.12 . 1 . . . . 11 V N . 17045 1
82 . 1 1 12 12 SER H H 1 7.893 0.015 . 1 . . . . 12 S H . 17045 1
83 . 1 1 12 12 SER HA H 1 3.933 0.015 . 1 . . . . 12 S HA . 17045 1
84 . 1 1 12 12 SER HB2 H 1 4.161 0.015 . 1 . . . . 12 S QB . 17045 1
85 . 1 1 12 12 SER HB3 H 1 4.161 0.015 . 1 . . . . 12 S QB . 17045 1
86 . 1 1 12 12 SER C C 13 177.443 0.5 . 1 . . . . 12 S C . 17045 1
87 . 1 1 12 12 SER CA C 13 62.450 0.5 . 1 . . . . 12 S CA . 17045 1
88 . 1 1 12 12 SER CB C 13 62.450 0.5 . 1 . . . . 12 S CB . 17045 1
89 . 1 1 12 12 SER N N 15 115.024 0.12 . 1 . . . . 12 S N . 17045 1
90 . 1 1 13 13 ARG H H 1 8.010 0.015 . 1 . . . . 13 R H . 17045 1
91 . 1 1 13 13 ARG HA H 1 4.062 0.015 . 1 . . . . 13 R HA . 17045 1
92 . 1 1 13 13 ARG HB2 H 1 1.853 0.015 . 1 . . . . 13 R QB . 17045 1
93 . 1 1 13 13 ARG HB3 H 1 1.853 0.015 . 1 . . . . 13 R QB . 17045 1
94 . 1 1 13 13 ARG HD2 H 1 3.181 0.015 . 1 . . . . 13 R QD . 17045 1
95 . 1 1 13 13 ARG HD3 H 1 3.181 0.015 . 1 . . . . 13 R QD . 17045 1
96 . 1 1 13 13 ARG HG2 H 1 1.747 0.015 . 1 . . . . 13 R QG . 17045 1
97 . 1 1 13 13 ARG HG3 H 1 1.747 0.015 . 1 . . . . 13 R QG . 17045 1
98 . 1 1 13 13 ARG C C 13 178.560 0.5 . 1 . . . . 13 R C . 17045 1
99 . 1 1 13 13 ARG CA C 13 59.567 0.5 . 1 . . . . 13 R CA . 17045 1
100 . 1 1 13 13 ARG CB C 13 29.779 0.5 . 1 . . . . 13 R CB . 17045 1
101 . 1 1 13 13 ARG CD C 13 43.232 0.5 . 1 . . . . 13 R CD . 17045 1
102 . 1 1 13 13 ARG CG C 13 27.376 0.5 . 1 . . . . 13 R CG . 17045 1
103 . 1 1 13 13 ARG N N 15 121.847 0.12 . 1 . . . . 13 R N . 17045 1
104 . 1 1 14 14 ALA H H 1 7.819 0.015 . 1 . . . . 14 A H . 17045 1
105 . 1 1 14 14 ALA HA H 1 4.132 0.015 . 1 . . . . 14 A HA . 17045 1
106 . 1 1 14 14 ALA HB1 H 1 1.349 0.015 . 1 . . . . 14 A QB . 17045 1
107 . 1 1 14 14 ALA HB2 H 1 1.349 0.015 . 1 . . . . 14 A QB . 17045 1
108 . 1 1 14 14 ALA HB3 H 1 1.349 0.015 . 1 . . . . 14 A QB . 17045 1
109 . 1 1 14 14 ALA C C 13 180.259 0.5 . 1 . . . . 14 A C . 17045 1
110 . 1 1 14 14 ALA CA C 13 55.243 0.5 . 1 . . . . 14 A CA . 17045 1
111 . 1 1 14 14 ALA CB C 13 19.689 0.5 . 1 . . . . 14 A CB . 17045 1
112 . 1 1 14 14 ALA N N 15 122.845 0.12 . 1 . . . . 14 A N . 17045 1
113 . 1 1 15 15 LEU H H 1 8.721 0.015 . 1 . . . . 15 L H . 17045 1
114 . 1 1 15 15 LEU HA H 1 3.780 0.015 . 1 . . . . 15 L HA . 17045 1
115 . 1 1 15 15 LEU HB2 H 1 1.898 0.015 . 1 . . . . 15 L HB2 . 17045 1
116 . 1 1 15 15 LEU HB3 H 1 1.544 0.015 . 1 . . . . 15 L HB3 . 17045 1
117 . 1 1 15 15 LEU HD11 H 1 0.895 0.015 . 2 . . . . 15 L QD1 . 17045 1
118 . 1 1 15 15 LEU HD12 H 1 0.895 0.015 . 2 . . . . 15 L QD1 . 17045 1
119 . 1 1 15 15 LEU HD13 H 1 0.895 0.015 . 2 . . . . 15 L QD1 . 17045 1
120 . 1 1 15 15 LEU HD21 H 1 0.876 0.015 . 2 . . . . 15 L QD2 . 17045 1
121 . 1 1 15 15 LEU HD22 H 1 0.876 0.015 . 2 . . . . 15 L QD2 . 17045 1
122 . 1 1 15 15 LEU HD23 H 1 0.876 0.015 . 2 . . . . 15 L QD2 . 17045 1
123 . 1 1 15 15 LEU HG H 1 1.724 0.015 . 1 . . . . 15 L HG . 17045 1
124 . 1 1 15 15 LEU C C 13 180.557 0.5 . 1 . . . . 15 L C . 17045 1
125 . 1 1 15 15 LEU CA C 13 58.126 0.5 . 1 . . . . 15 L CA . 17045 1
126 . 1 1 15 15 LEU CB C 13 42.271 0.5 . 1 . . . . 15 L CB . 17045 1
127 . 1 1 15 15 LEU CD1 C 13 25.455 0.5 . 1 . . . . 15 L CD1 . 17045 1
128 . 1 1 15 15 LEU CD2 C 13 23.533 0.5 . 1 . . . . 15 L CD2 . 17045 1
129 . 1 1 15 15 LEU CG C 13 26.896 0.5 . 1 . . . . 15 L CG . 17045 1
130 . 1 1 15 15 LEU N N 15 119.383 0.12 . 1 . . . . 15 L N . 17045 1
131 . 1 1 16 16 GLN H H 1 8.121 0.015 . 1 . . . . 16 Q H . 17045 1
132 . 1 1 16 16 GLN HA H 1 4.030 0.015 . 1 . . . . 16 Q HA . 17045 1
133 . 1 1 16 16 GLN HB2 H 1 2.187 0.015 . 1 . . . . 16 Q QB . 17045 1
134 . 1 1 16 16 GLN HB3 H 1 2.187 0.015 . 1 . . . . 16 Q QB . 17045 1
135 . 1 1 16 16 GLN HE21 H 1 7.320 0.015 . 1 . . . . 16 Q HE21 . 17045 1
136 . 1 1 16 16 GLN HE22 H 1 6.738 0.015 . 1 . . . . 16 Q HE22 . 17045 1
137 . 1 1 16 16 GLN HG2 H 1 2.404 0.015 . 1 . . . . 16 Q QG . 17045 1
138 . 1 1 16 16 GLN HG3 H 1 2.404 0.015 . 1 . . . . 16 Q QG . 17045 1
139 . 1 1 16 16 GLN C C 13 179.131 0.5 . 1 . . . . 16 Q C . 17045 1
140 . 1 1 16 16 GLN CA C 13 59.087 0.5 . 1 . . . . 16 Q CA . 17045 1
141 . 1 1 16 16 GLN CB C 13 27.376 0.5 . 1 . . . . 16 Q CB . 17045 1
142 . 1 1 16 16 GLN CG C 13 33.622 0.5 . 1 . . . . 16 Q CG . 17045 1
143 . 1 1 16 16 GLN N N 15 121.609 0.12 . 1 . . . . 16 Q N . 17045 1
144 . 1 1 16 16 GLN NE2 N 15 111.213 0.12 . 1 . . . . 16 Q NE2 . 17045 1
145 . 1 1 17 17 GLN H H 1 8.092 0.015 . 1 . . . . 17 Q H . 17045 1
146 . 1 1 17 17 GLN HA H 1 4.029 0.015 . 1 . . . . 17 Q HA . 17045 1
147 . 1 1 17 17 GLN HB2 H 1 2.311 0.015 . 1 . . . . 17 Q HB2 . 17045 1
148 . 1 1 17 17 GLN HB3 H 1 2.059 0.015 . 1 . . . . 17 Q HB3 . 17045 1
149 . 1 1 17 17 GLN HE21 H 1 7.349 0.015 . 1 . . . . 17 Q HE21 . 17045 1
150 . 1 1 17 17 GLN HE22 H 1 6.781 0.015 . 1 . . . . 17 Q HE22 . 17045 1
151 . 1 1 17 17 GLN HG2 H 1 2.454 0.015 . 1 . . . . 17 Q QG . 17045 1
152 . 1 1 17 17 GLN HG3 H 1 2.454 0.015 . 1 . . . . 17 Q QG . 17045 1
153 . 1 1 17 17 GLN C C 13 179.585 0.5 . 1 . . . . 17 Q C . 17045 1
154 . 1 1 17 17 GLN CA C 13 59.087 0.5 . 1 . . . . 17 Q CA . 17045 1
155 . 1 1 17 17 GLN CB C 13 27.857 0.5 . 1 . . . . 17 Q CB . 17045 1
156 . 1 1 17 17 GLN CG C 13 33.622 0.5 . 1 . . . . 17 Q CG . 17045 1
157 . 1 1 17 17 GLN N N 15 119.940 0.12 . 1 . . . . 17 Q N . 17045 1
158 . 1 1 17 17 GLN NE2 N 15 111.006 0.12 . 1 . . . . 17 Q NE2 . 17045 1
159 . 1 1 18 18 CYS H H 1 8.694 0.015 . 1 . . . . 18 C H . 17045 1
160 . 1 1 18 18 CYS HA H 1 3.801 0.015 . 1 . . . . 18 C HA . 17045 1
161 . 1 1 18 18 CYS HB2 H 1 2.379 0.015 . 1 . . . . 18 C QB . 17045 1
162 . 1 1 18 18 CYS HB3 H 1 2.379 0.015 . 1 . . . . 18 C QB . 17045 1
163 . 1 1 18 18 CYS C C 13 177.696 0.5 . 1 . . . . 18 C C . 17045 1
164 . 1 1 18 18 CYS CA C 13 66.294 0.5 . 1 . . . . 18 C CA . 17045 1
165 . 1 1 18 18 CYS CB C 13 25.935 0.5 . 1 . . . . 18 C CB . 17045 1
166 . 1 1 18 18 CYS N N 15 116.683 0.12 . 1 . . . . 18 C N . 17045 1
167 . 1 1 19 19 GLY H H 1 8.321 0.015 . 1 . . . . 19 G H . 17045 1
168 . 1 1 19 19 GLY HA2 H 1 3.878 0.015 . 1 . . . . 19 G QA . 17045 1
169 . 1 1 19 19 GLY HA3 H 1 3.878 0.015 . 1 . . . . 19 G QA . 17045 1
170 . 1 1 19 19 GLY C C 13 176.408 0.5 . 1 . . . . 19 G C . 17045 1
171 . 1 1 19 19 GLY CA C 13 46.595 0.5 . 1 . . . . 19 G CA . 17045 1
172 . 1 1 19 19 GLY N N 15 108.080 0.12 . 1 . . . . 19 G N . 17045 1
173 . 1 1 20 20 GLN H H 1 7.942 0.015 . 1 . . . . 20 Q H . 17045 1
174 . 1 1 20 20 GLN HA H 1 4.045 0.015 . 1 . . . . 20 Q HA . 17045 1
175 . 1 1 20 20 GLN HB2 H 1 2.148 0.015 . 1 . . . . 20 Q HB2 . 17045 1
176 . 1 1 20 20 GLN HB3 H 1 2.069 0.015 . 1 . . . . 20 Q HB3 . 17045 1
177 . 1 1 20 20 GLN HE21 H 1 7.318 0.015 . 1 . . . . 20 Q HE21 . 17045 1
178 . 1 1 20 20 GLN HE22 H 1 6.722 0.015 . 1 . . . . 20 Q HE22 . 17045 1
179 . 1 1 20 20 GLN HG2 H 1 2.470 0.015 . 1 . . . . 20 Q QG . 17045 1
180 . 1 1 20 20 GLN HG3 H 1 2.470 0.015 . 1 . . . . 20 Q QG . 17045 1
181 . 1 1 20 20 GLN C C 13 179.771 0.5 . 1 . . . . 20 Q C . 17045 1
182 . 1 1 20 20 GLN CA C 13 59.087 0.5 . 1 . . . . 20 Q CA . 17045 1
183 . 1 1 20 20 GLN CB C 13 27.376 0.5 . 1 . . . . 20 Q CB . 17045 1
184 . 1 1 20 20 GLN CG C 13 34.103 0.5 . 1 . . . . 20 Q CG . 17045 1
185 . 1 1 20 20 GLN N N 15 123.288 0.12 . 1 . . . . 20 Q N . 17045 1
186 . 1 1 20 20 GLN NE2 N 15 111.213 0.12 . 1 . . . . 20 Q NE2 . 17045 1
187 . 1 1 21 21 LEU H H 1 7.938 0.015 . 1 . . . . 21 L H . 17045 1
188 . 1 1 21 21 LEU HA H 1 3.780 0.015 . 1 . . . . 21 L HA . 17045 1
189 . 1 1 21 21 LEU HB2 H 1 1.834 0.015 . 1 . . . . 21 L QB . 17045 1
190 . 1 1 21 21 LEU HB3 H 1 1.834 0.015 . 1 . . . . 21 L QB . 17045 1
191 . 1 1 21 21 LEU HD11 H 1 0.900 0.015 . 2 . . . . 21 L QD1 . 17045 1
192 . 1 1 21 21 LEU HD12 H 1 0.900 0.015 . 2 . . . . 21 L QD1 . 17045 1
193 . 1 1 21 21 LEU HD13 H 1 0.900 0.015 . 2 . . . . 21 L QD1 . 17045 1
194 . 1 1 21 21 LEU HD21 H 1 0.836 0.015 . 2 . . . . 21 L QD2 . 17045 1
195 . 1 1 21 21 LEU HD22 H 1 0.836 0.015 . 2 . . . . 21 L QD2 . 17045 1
196 . 1 1 21 21 LEU HD23 H 1 0.836 0.015 . 2 . . . . 21 L QD2 . 17045 1
197 . 1 1 21 21 LEU HG H 1 1.724 0.015 . 1 . . . . 21 L HG . 17045 1
198 . 1 1 21 21 LEU C C 13 178.334 0.5 . 1 . . . . 21 L C . 17045 1
199 . 1 1 21 21 LEU CA C 13 57.645 0.5 . 1 . . . . 21 L CA . 17045 1
200 . 1 1 21 21 LEU CB C 13 43.232 0.5 . 1 . . . . 21 L CB . 17045 1
201 . 1 1 21 21 LEU CD1 C 13 23.052 0.5 . 1 . . . . 21 L CD1 . 17045 1
202 . 1 1 21 21 LEU CD2 C 13 23.052 0.5 . 1 . . . . 21 L CD2 . 17045 1
203 . 1 1 21 21 LEU CG C 13 27.376 0.5 . 1 . . . . 21 L CG . 17045 1
204 . 1 1 21 21 LEU N N 15 119.739 0.12 . 1 . . . . 21 L N . 17045 1
205 . 1 1 22 22 GLN H H 1 8.298 0.015 . 1 . . . . 22 Q H . 17045 1
206 . 1 1 22 22 GLN HA H 1 3.730 0.015 . 1 . . . . 22 Q HA . 17045 1
207 . 1 1 22 22 GLN HB2 H 1 2.309 0.015 . 1 . . . . 22 Q HB2 . 17045 1
208 . 1 1 22 22 GLN HB3 H 1 2.178 0.015 . 1 . . . . 22 Q HB3 . 17045 1
209 . 1 1 22 22 GLN HE21 H 1 7.471 0.015 . 1 . . . . 22 Q HE21 . 17045 1
210 . 1 1 22 22 GLN HE22 H 1 6.566 0.015 . 1 . . . . 22 Q HE22 . 17045 1
211 . 1 1 22 22 GLN HG2 H 1 2.499 0.015 . 1 . . . . 22 Q QG . 17045 1
212 . 1 1 22 22 GLN HG3 H 1 2.499 0.015 . 1 . . . . 22 Q QG . 17045 1
213 . 1 1 22 22 GLN C C 13 177.116 0.5 . 1 . . . . 22 Q C . 17045 1
214 . 1 1 22 22 GLN CA C 13 57.165 0.5 . 1 . . . . 22 Q CA . 17045 1
215 . 1 1 22 22 GLN CB C 13 27.376 0.5 . 1 . . . . 22 Q CB . 17045 1
216 . 1 1 22 22 GLN CG C 13 33.622 0.5 . 1 . . . . 22 Q CG . 17045 1
217 . 1 1 22 22 GLN N N 15 119.407 0.12 . 1 . . . . 22 Q N . 17045 1
218 . 1 1 22 22 GLN NE2 N 15 110.177 0.12 . 1 . . . . 22 Q NE2 . 17045 1
219 . 1 1 23 23 LYS H H 1 7.232 0.015 . 1 . . . . 23 K H . 17045 1
220 . 1 1 23 23 LYS HA H 1 4.118 0.015 . 1 . . . . 23 K HA . 17045 1
221 . 1 1 23 23 LYS HB2 H 1 1.887 0.015 . 1 . . . . 23 K QB . 17045 1
222 . 1 1 23 23 LYS HB3 H 1 1.887 0.015 . 1 . . . . 23 K QB . 17045 1
223 . 1 1 23 23 LYS HD2 H 1 1.657 0.015 . 1 . . . . 23 K QD . 17045 1
224 . 1 1 23 23 LYS HD3 H 1 1.657 0.015 . 1 . . . . 23 K QD . 17045 1
225 . 1 1 23 23 LYS HE2 H 1 2.947 0.015 . 1 . . . . 23 K QE . 17045 1
226 . 1 1 23 23 LYS HE3 H 1 2.947 0.015 . 1 . . . . 23 K QE . 17045 1
227 . 1 1 23 23 LYS HG2 H 1 1.484 0.015 . 1 . . . . 23 K QG . 17045 1
228 . 1 1 23 23 LYS HG3 H 1 1.484 0.015 . 1 . . . . 23 K QG . 17045 1
229 . 1 1 23 23 LYS C C 13 179.361 0.5 . 1 . . . . 23 K C . 17045 1
230 . 1 1 23 23 LYS CA C 13 59.567 0.5 . 1 . . . . 23 K CA . 17045 1
231 . 1 1 23 23 LYS CB C 13 32.181 0.5 . 1 . . . . 23 K CB . 17045 1
232 . 1 1 23 23 LYS CD C 13 29.298 0.5 . 1 . . . . 23 K CD . 17045 1
233 . 1 1 23 23 LYS CE C 13 42.271 0.5 . 1 . . . . 23 K CE . 17045 1
234 . 1 1 23 23 LYS CG C 13 25.455 0.5 . 1 . . . . 23 K CG . 17045 1
235 . 1 1 23 23 LYS N N 15 117.140 0.12 . 1 . . . . 23 K N . 17045 1
236 . 1 1 24 24 LEU H H 1 6.690 0.015 . 1 . . . . 24 L H . 17045 1
237 . 1 1 24 24 LEU HA H 1 3.966 0.015 . 1 . . . . 24 L HA . 17045 1
238 . 1 1 24 24 LEU HB2 H 1 1.355 0.015 . 1 . . . . 24 L HB2 . 17045 1
239 . 1 1 24 24 LEU HB3 H 1 0.985 0.015 . 1 . . . . 24 L HB3 . 17045 1
240 . 1 1 24 24 LEU HD11 H 1 0.645 0.015 . 2 . . . . 24 L QD1 . 17045 1
241 . 1 1 24 24 LEU HD12 H 1 0.645 0.015 . 2 . . . . 24 L QD1 . 17045 1
242 . 1 1 24 24 LEU HD13 H 1 0.645 0.015 . 2 . . . . 24 L QD1 . 17045 1
243 . 1 1 24 24 LEU HD21 H 1 0.700 0.015 . 2 . . . . 24 L QD2 . 17045 1
244 . 1 1 24 24 LEU HD22 H 1 0.700 0.015 . 2 . . . . 24 L QD2 . 17045 1
245 . 1 1 24 24 LEU HD23 H 1 0.700 0.015 . 2 . . . . 24 L QD2 . 17045 1
246 . 1 1 24 24 LEU HG H 1 1.588 0.015 . 1 . . . . 24 L HG . 17045 1
247 . 1 1 24 24 LEU C C 13 180.851 0.5 . 1 . . . . 24 L C . 17045 1
248 . 1 1 24 24 LEU CA C 13 57.165 0.5 . 1 . . . . 24 L CA . 17045 1
249 . 1 1 24 24 LEU CB C 13 40.349 0.5 . 1 . . . . 24 L CB . 17045 1
250 . 1 1 24 24 LEU CD1 C 13 24.494 0.5 . 1 . . . . 24 L CD1 . 17045 1
251 . 1 1 24 24 LEU CD2 C 13 22.091 0.5 . 1 . . . . 24 L CD2 . 17045 1
252 . 1 1 24 24 LEU CG C 13 26.416 0.5 . 1 . . . . 24 L CG . 17045 1
253 . 1 1 24 24 LEU N N 15 117.044 0.12 . 1 . . . . 24 L N . 17045 1
254 . 1 1 25 25 ILE H H 1 8.484 0.015 . 1 . . . . 25 I H . 17045 1
255 . 1 1 25 25 ILE HA H 1 3.590 0.015 . 1 . . . . 25 I HA . 17045 1
256 . 1 1 25 25 ILE HB H 1 1.984 0.015 . 1 . . . . 25 I HB . 17045 1
257 . 1 1 25 25 ILE HD11 H 1 0.817 0.015 . 1 . . . . 25 I QD1 . 17045 1
258 . 1 1 25 25 ILE HD12 H 1 0.817 0.015 . 1 . . . . 25 I QD1 . 17045 1
259 . 1 1 25 25 ILE HD13 H 1 0.817 0.015 . 1 . . . . 25 I QD1 . 17045 1
260 . 1 1 25 25 ILE HG12 H 1 1.705 0.015 . 1 . . . . 25 I QG1 . 17045 1
261 . 1 1 25 25 ILE HG13 H 1 1.705 0.015 . 1 . . . . 25 I QG1 . 17045 1
262 . 1 1 25 25 ILE HG21 H 1 0.936 0.015 . 1 . . . . 25 I QG2 . 17045 1
263 . 1 1 25 25 ILE HG22 H 1 0.936 0.015 . 1 . . . . 25 I QG2 . 17045 1
264 . 1 1 25 25 ILE HG23 H 1 0.936 0.015 . 1 . . . . 25 I QG2 . 17045 1
265 . 1 1 25 25 ILE C C 13 177.028 0.5 . 1 . . . . 25 I C . 17045 1
266 . 1 1 25 25 ILE CA C 13 65.813 0.5 . 1 . . . . 25 I CA . 17045 1
267 . 1 1 25 25 ILE CB C 13 37.947 0.5 . 1 . . . . 25 I CB . 17045 1
268 . 1 1 25 25 ILE CD1 C 13 14.404 0.5 . 1 . . . . 25 I CD1 . 17045 1
269 . 1 1 25 25 ILE CG1 C 13 31.701 0.5 . 1 . . . . 25 I CG1 . 17045 1
270 . 1 1 25 25 ILE CG2 C 13 16.806 0.5 . 1 . . . . 25 I CG2 . 17045 1
271 . 1 1 25 25 ILE N N 15 124.702 0.12 . 1 . . . . 25 I N . 17045 1
272 . 1 1 26 26 ASP H H 1 9.021 0.015 . 1 . . . . 26 D H . 17045 1
273 . 1 1 26 26 ASP HA H 1 4.321 0.015 . 1 . . . . 26 D HA . 17045 1
274 . 1 1 26 26 ASP HB2 H 1 2.815 0.015 . 1 . . . . 26 D HB2 . 17045 1
275 . 1 1 26 26 ASP HB3 H 1 2.626 0.015 . 1 . . . . 26 D HB3 . 17045 1
276 . 1 1 26 26 ASP C C 13 180.812 0.5 . 1 . . . . 26 D C . 17045 1
277 . 1 1 26 26 ASP CA C 13 58.126 0.5 . 1 . . . . 26 D CA . 17045 1
278 . 1 1 26 26 ASP CB C 13 39.868 0.5 . 1 . . . . 26 D CB . 17045 1
279 . 1 1 26 26 ASP N N 15 120.597 0.12 . 1 . . . . 26 D N . 17045 1
280 . 1 1 27 27 ILE H H 1 7.616 0.015 . 1 . . . . 27 I H . 17045 1
281 . 1 1 27 27 ILE HA H 1 3.848 0.015 . 1 . . . . 27 I HA . 17045 1
282 . 1 1 27 27 ILE HB H 1 1.863 0.015 . 1 . . . . 27 I HB . 17045 1
283 . 1 1 27 27 ILE HD11 H 1 0.840 0.015 . 1 . . . . 27 I QD1 . 17045 1
284 . 1 1 27 27 ILE HD12 H 1 0.840 0.015 . 1 . . . . 27 I QD1 . 17045 1
285 . 1 1 27 27 ILE HD13 H 1 0.840 0.015 . 1 . . . . 27 I QD1 . 17045 1
286 . 1 1 27 27 ILE HG12 H 1 1.211 0.015 . 1 . . . . 27 I QG1 . 17045 1
287 . 1 1 27 27 ILE HG13 H 1 1.211 0.015 . 1 . . . . 27 I QG1 . 17045 1
288 . 1 1 27 27 ILE HG21 H 1 0.959 0.015 . 1 . . . . 27 I QG2 . 17045 1
289 . 1 1 27 27 ILE HG22 H 1 0.959 0.015 . 1 . . . . 27 I QG2 . 17045 1
290 . 1 1 27 27 ILE HG23 H 1 0.959 0.015 . 1 . . . . 27 I QG2 . 17045 1
291 . 1 1 27 27 ILE C C 13 179.239 0.5 . 1 . . . . 27 I C . 17045 1
292 . 1 1 27 27 ILE CA C 13 64.852 0.5 . 1 . . . . 27 I CA . 17045 1
293 . 1 1 27 27 ILE CB C 13 38.907 0.5 . 1 . . . . 27 I CB . 17045 1
294 . 1 1 27 27 ILE CD1 C 13 13.443 0.5 . 1 . . . . 27 I CD1 . 17045 1
295 . 1 1 27 27 ILE CG1 C 13 29.298 0.5 . 1 . . . . 27 I CG1 . 17045 1
296 . 1 1 27 27 ILE CG2 C 13 16.806 0.5 . 1 . . . . 27 I CG2 . 17045 1
297 . 1 1 27 27 ILE N N 15 120.094 0.12 . 1 . . . . 27 I N . 17045 1
298 . 1 1 28 28 SER H H 1 8.052 0.015 . 1 . . . . 28 S H . 17045 1
299 . 1 1 28 28 SER HA H 1 3.843 0.015 . 1 . . . . 28 S HA . 17045 1
300 . 1 1 28 28 SER HB2 H 1 4.352 0.015 . 1 . . . . 28 S QB . 17045 1
301 . 1 1 28 28 SER HB3 H 1 4.352 0.015 . 1 . . . . 28 S QB . 17045 1
302 . 1 1 28 28 SER C C 13 176.112 0.5 . 1 . . . . 28 S C . 17045 1
303 . 1 1 28 28 SER CA C 13 63.891 0.5 . 1 . . . . 28 S CA . 17045 1
304 . 1 1 28 28 SER CB C 13 64.372 0.5 . 1 . . . . 28 S CB . 17045 1
305 . 1 1 28 28 SER N N 15 118.134 0.12 . 1 . . . . 28 S N . 17045 1
306 . 1 1 29 29 ILE H H 1 9.589 0.015 . 1 . . . . 29 I H . 17045 1
307 . 1 1 29 29 ILE HA H 1 3.785 0.015 . 1 . . . . 29 I HA . 17045 1
308 . 1 1 29 29 ILE HB H 1 2.072 0.015 . 1 . . . . 29 I HB . 17045 1
309 . 1 1 29 29 ILE HD11 H 1 0.933 0.015 . 1 . . . . 29 I QD1 . 17045 1
310 . 1 1 29 29 ILE HD12 H 1 0.933 0.015 . 1 . . . . 29 I QD1 . 17045 1
311 . 1 1 29 29 ILE HD13 H 1 0.933 0.015 . 1 . . . . 29 I QD1 . 17045 1
312 . 1 1 29 29 ILE HG12 H 1 1.158 0.015 . 1 . . . . 29 I QG1 . 17045 1
313 . 1 1 29 29 ILE HG13 H 1 1.158 0.015 . 1 . . . . 29 I QG1 . 17045 1
314 . 1 1 29 29 ILE HG21 H 1 0.695 0.015 . 1 . . . . 29 I QG2 . 17045 1
315 . 1 1 29 29 ILE HG22 H 1 0.695 0.015 . 1 . . . . 29 I QG2 . 17045 1
316 . 1 1 29 29 ILE HG23 H 1 0.695 0.015 . 1 . . . . 29 I QG2 . 17045 1
317 . 1 1 29 29 ILE C C 13 177.863 0.5 . 1 . . . . 29 I C . 17045 1
318 . 1 1 29 29 ILE CA C 13 65.813 0.5 . 1 . . . . 29 I CA . 17045 1
319 . 1 1 29 29 ILE CB C 13 36.505 0.5 . 1 . . . . 29 I CB . 17045 1
320 . 1 1 29 29 ILE CD1 C 13 10.159 0.5 . 1 . . . . 29 I CD1 . 17045 1
321 . 1 1 29 29 ILE CG1 C 13 30.700 0.5 . 1 . . . . 29 I CG1 . 17045 1
322 . 1 1 29 29 ILE CG2 C 13 16.326 0.5 . 1 . . . . 29 I CG2 . 17045 1
323 . 1 1 29 29 ILE N N 15 124.827 0.12 . 1 . . . . 29 I N . 17045 1
324 . 1 1 30 30 GLY H H 1 7.716 0.015 . 1 . . . . 30 G H . 17045 1
325 . 1 1 30 30 GLY HA2 H 1 3.947 0.015 . 1 . . . . 30 G HA2 . 17045 1
326 . 1 1 30 30 GLY HA3 H 1 3.785 0.015 . 1 . . . . 30 G HA3 . 17045 1
327 . 1 1 30 30 GLY C C 13 177.586 0.5 . 1 . . . . 30 G C . 17045 1
328 . 1 1 30 30 GLY CA C 13 47.556 0.5 . 1 . . . . 30 G CA . 17045 1
329 . 1 1 30 30 GLY N N 15 107.287 0.12 . 1 . . . . 30 G N . 17045 1
330 . 1 1 31 31 SER H H 1 7.920 0.015 . 1 . . . . 31 S H . 17045 1
331 . 1 1 31 31 SER HA H 1 4.309 0.015 . 1 . . . . 31 S HA . 17045 1
332 . 1 1 31 31 SER HB2 H 1 4.068 0.015 . 1 . . . . 31 S HB2 . 17045 1
333 . 1 1 31 31 SER HB3 H 1 3.942 0.015 . 1 . . . . 31 S HB3 . 17045 1
334 . 1 1 31 31 SER C C 13 176.562 0.5 . 1 . . . . 31 S C . 17045 1
335 . 1 1 31 31 SER CA C 13 61.489 0.5 . 1 . . . . 31 S CA . 17045 1
336 . 1 1 31 31 SER CB C 13 62.930 0.5 . 1 . . . . 31 S CB . 17045 1
337 . 1 1 31 31 SER N N 15 118.458 0.12 . 1 . . . . 31 S N . 17045 1
338 . 1 1 32 32 LEU H H 1 8.638 0.015 . 1 . . . . 32 L H . 17045 1
339 . 1 1 32 32 LEU HA H 1 3.994 0.015 . 1 . . . . 32 L HA . 17045 1
340 . 1 1 32 32 LEU HB2 H 1 2.214 0.015 . 1 . . . . 32 L HB2 . 17045 1
341 . 1 1 32 32 LEU HB3 H 1 1.605 0.015 . 1 . . . . 32 L HB3 . 17045 1
342 . 1 1 32 32 LEU HD11 H 1 1.000 0.015 . 2 . . . . 32 L QQD . 17045 1
343 . 1 1 32 32 LEU HD12 H 1 1.000 0.015 . 2 . . . . 32 L QQD . 17045 1
344 . 1 1 32 32 LEU HD13 H 1 1.000 0.015 . 2 . . . . 32 L QQD . 17045 1
345 . 1 1 32 32 LEU HD21 H 1 1.000 0.015 . 2 . . . . 32 L QQD . 17045 1
346 . 1 1 32 32 LEU HD22 H 1 1.000 0.015 . 2 . . . . 32 L QQD . 17045 1
347 . 1 1 32 32 LEU HD23 H 1 1.000 0.015 . 2 . . . . 32 L QQD . 17045 1
348 . 1 1 32 32 LEU HG H 1 0.824 0.015 . 1 . . . . 32 L HG . 17045 1
349 . 1 1 32 32 LEU C C 13 177.669 0.5 . 1 . . . . 32 L C . 17045 1
350 . 1 1 32 32 LEU CA C 13 58.126 0.5 . 1 . . . . 32 L CA . 17045 1
351 . 1 1 32 32 LEU CB C 13 42.751 0.5 . 1 . . . . 32 L CB . 17045 1
352 . 1 1 32 32 LEU CD1 C 13 24.974 0.5 . 1 . . . . 32 L CD1 . 17045 1
353 . 1 1 32 32 LEU CD2 C 13 24.974 0.5 . 1 . . . . 32 L CD2 . 17045 1
354 . 1 1 32 32 LEU CG C 13 26.416 0.5 . 1 . . . . 32 L CG . 17045 1
355 . 1 1 32 32 LEU N N 15 125.231 0.12 . 1 . . . . 32 L N . 17045 1
356 . 1 1 33 33 ARG H H 1 8.820 0.015 . 1 . . . . 33 R H . 17045 1
357 . 1 1 33 33 ARG HA H 1 4.294 0.015 . 1 . . . . 33 R HA . 17045 1
358 . 1 1 33 33 ARG HB2 H 1 1.858 0.015 . 1 . . . . 33 R QB . 17045 1
359 . 1 1 33 33 ARG HB3 H 1 1.858 0.015 . 1 . . . . 33 R QB . 17045 1
360 . 1 1 33 33 ARG HD2 H 1 3.007 0.015 . 1 . . . . 33 R QD . 17045 1
361 . 1 1 33 33 ARG HD3 H 1 3.007 0.015 . 1 . . . . 33 R QD . 17045 1
362 . 1 1 33 33 ARG HG2 H 1 1.510 0.015 . 1 . . . . 33 R QG . 17045 1
363 . 1 1 33 33 ARG HG3 H 1 1.510 0.015 . 1 . . . . 33 R QG . 17045 1
364 . 1 1 33 33 ARG C C 13 180.392 0.5 . 1 . . . . 33 R C . 17045 1
365 . 1 1 33 33 ARG CA C 13 59.567 0.5 . 1 . . . . 33 R CA . 17045 1
366 . 1 1 33 33 ARG CB C 13 30.259 0.5 . 1 . . . . 33 R CB . 17045 1
367 . 1 1 33 33 ARG CD C 13 43.232 0.5 . 1 . . . . 33 R CD . 17045 1
368 . 1 1 33 33 ARG CG C 13 27.376 0.5 . 1 . . . . 33 R CG . 17045 1
369 . 1 1 33 33 ARG N N 15 119.467 0.12 . 1 . . . . 33 R N . 17045 1
370 . 1 1 34 34 GLY H H 1 7.599 0.015 . 1 . . . . 34 G H . 17045 1
371 . 1 1 34 34 GLY HA2 H 1 3.944 0.015 . 1 . . . . 34 G QA . 17045 1
372 . 1 1 34 34 GLY HA3 H 1 3.944 0.015 . 1 . . . . 34 G QA . 17045 1
373 . 1 1 34 34 GLY C C 13 176.165 0.5 . 1 . . . . 34 G C . 17045 1
374 . 1 1 34 34 GLY CA C 13 46.595 0.5 . 1 . . . . 34 G CA . 17045 1
375 . 1 1 34 34 GLY N N 15 105.876 0.12 . 1 . . . . 34 G N . 17045 1
376 . 1 1 35 35 LEU H H 1 7.903 0.015 . 1 . . . . 35 L H . 17045 1
377 . 1 1 35 35 LEU HA H 1 4.113 0.015 . 1 . . . . 35 L HA . 17045 1
378 . 1 1 35 35 LEU HB2 H 1 1.314 0.015 . 1 . . . . 35 L QB . 17045 1
379 . 1 1 35 35 LEU HB3 H 1 1.314 0.015 . 1 . . . . 35 L QB . 17045 1
380 . 1 1 35 35 LEU HD11 H 1 0.897 0.015 . 2 . . . . 35 L QQD . 17045 1
381 . 1 1 35 35 LEU HD12 H 1 0.897 0.015 . 2 . . . . 35 L QQD . 17045 1
382 . 1 1 35 35 LEU HD13 H 1 0.897 0.015 . 2 . . . . 35 L QQD . 17045 1
383 . 1 1 35 35 LEU HD21 H 1 0.897 0.015 . 2 . . . . 35 L QQD . 17045 1
384 . 1 1 35 35 LEU HD22 H 1 0.897 0.015 . 2 . . . . 35 L QQD . 17045 1
385 . 1 1 35 35 LEU HD23 H 1 0.897 0.015 . 2 . . . . 35 L QQD . 17045 1
386 . 1 1 35 35 LEU HG H 1 0.804 0.015 . 1 . . . . 35 L HG . 17045 1
387 . 1 1 35 35 LEU C C 13 179.460 0.5 . 1 . . . . 35 L C . 17045 1
388 . 1 1 35 35 LEU CA C 13 58.126 0.5 . 1 . . . . 35 L CA . 17045 1
389 . 1 1 35 35 LEU CB C 13 42.751 0.5 . 1 . . . . 35 L CB . 17045 1
390 . 1 1 35 35 LEU CD1 C 13 23.052 0.5 . 1 . . . . 35 L CD1 . 17045 1
391 . 1 1 35 35 LEU CD2 C 13 23.052 0.5 . 1 . . . . 35 L CD2 . 17045 1
392 . 1 1 35 35 LEU CG C 13 26.896 0.5 . 1 . . . . 35 L CG . 17045 1
393 . 1 1 35 35 LEU N N 15 121.765 0.12 . 1 . . . . 35 L N . 17045 1
394 . 1 1 36 36 ARG H H 1 8.440 0.015 . 1 . . . . 36 R H . 17045 1
395 . 1 1 36 36 ARG HA H 1 4.017 0.015 . 1 . . . . 36 R HA . 17045 1
396 . 1 1 36 36 ARG HB2 H 1 1.855 0.015 . 1 . . . . 36 R QB . 17045 1
397 . 1 1 36 36 ARG HB3 H 1 1.855 0.015 . 1 . . . . 36 R QB . 17045 1
398 . 1 1 36 36 ARG HD2 H 1 2.944 0.015 . 1 . . . . 36 R QD . 17045 1
399 . 1 1 36 36 ARG HD3 H 1 2.944 0.015 . 1 . . . . 36 R QD . 17045 1
400 . 1 1 36 36 ARG HG2 H 1 1.566 0.015 . 1 . . . . 36 R QG . 17045 1
401 . 1 1 36 36 ARG HG3 H 1 1.566 0.015 . 1 . . . . 36 R QG . 17045 1
402 . 1 1 36 36 ARG C C 13 178.160 0.5 . 1 . . . . 36 R C . 17045 1
403 . 1 1 36 36 ARG CA C 13 59.567 0.5 . 1 . . . . 36 R CA . 17045 1
404 . 1 1 36 36 ARG CB C 13 31.220 0.5 . 1 . . . . 36 R CB . 17045 1
405 . 1 1 36 36 ARG CD C 13 42.751 0.5 . 1 . . . . 36 R CD . 17045 1
406 . 1 1 36 36 ARG CG C 13 28.818 0.5 . 1 . . . . 36 R CG . 17045 1
407 . 1 1 36 36 ARG N N 15 116.481 0.12 . 1 . . . . 36 R N . 17045 1
408 . 1 1 37 37 THR H H 1 7.517 0.015 . 1 . . . . 37 T H . 17045 1
409 . 1 1 37 37 THR HA H 1 4.327 0.015 . 1 . . . . 37 T HA . 17045 1
410 . 1 1 37 37 THR HB H 1 4.327 0.015 . 1 . . . . 37 T HB . 17045 1
411 . 1 1 37 37 THR HG21 H 1 1.290 0.015 . 1 . . . . 37 T QG2 . 17045 1
412 . 1 1 37 37 THR HG22 H 1 1.290 0.015 . 1 . . . . 37 T QG2 . 17045 1
413 . 1 1 37 37 THR HG23 H 1 1.290 0.015 . 1 . . . . 37 T QG2 . 17045 1
414 . 1 1 37 37 THR C C 13 175.257 0.5 . 1 . . . . 37 T C . 17045 1
415 . 1 1 37 37 THR CA C 13 63.411 0.5 . 1 . . . . 37 T CA . 17045 1
416 . 1 1 37 37 THR CB C 13 70.137 0.5 . 1 . . . . 37 T CB . 17045 1
417 . 1 1 37 37 THR CG2 C 13 21.611 0.5 . 1 . . . . 37 T CG2 . 17045 1
418 . 1 1 37 37 THR N N 15 109.264 0.12 . 1 . . . . 37 T N . 17045 1
419 . 1 1 38 38 LYS H H 1 7.520 0.015 . 1 . . . . 38 K H . 17045 1
420 . 1 1 38 38 LYS HA H 1 4.362 0.015 . 1 . . . . 38 K HA . 17045 1
421 . 1 1 38 38 LYS HB2 H 1 1.914 0.015 . 1 . . . . 38 K QB . 17045 1
422 . 1 1 38 38 LYS HB3 H 1 1.914 0.015 . 1 . . . . 38 K QB . 17045 1
423 . 1 1 38 38 LYS HD2 H 1 1.545 0.015 . 1 . . . . 38 K QD . 17045 1
424 . 1 1 38 38 LYS HD3 H 1 1.545 0.015 . 1 . . . . 38 K QD . 17045 1
425 . 1 1 38 38 LYS HE2 H 1 2.943 0.015 . 1 . . . . 38 K QE . 17045 1
426 . 1 1 38 38 LYS HE3 H 1 2.943 0.015 . 1 . . . . 38 K QE . 17045 1
427 . 1 1 38 38 LYS HG2 H 1 1.539 0.015 . 1 . . . . 38 K HG2 . 17045 1
428 . 1 1 38 38 LYS HG3 H 1 1.483 0.015 . 1 . . . . 38 K HG3 . 17045 1
429 . 1 1 38 38 LYS CA C 13 57.165 0.5 . 1 . . . . 38 K CA . 17045 1
430 . 1 1 38 38 LYS CB C 13 33.142 0.5 . 1 . . . . 38 K CB . 17045 1
431 . 1 1 38 38 LYS CD C 13 24.974 0.5 . 1 . . . . 38 K CD . 17045 1
432 . 1 1 38 38 LYS CE C 13 41.790 0.5 . 1 . . . . 38 K CE . 17045 1
433 . 1 1 38 38 LYS CG C 13 24.974 0.5 . 1 . . . . 38 K CG . 17045 1
434 . 1 1 38 38 LYS N N 15 121.551 0.12 . 1 . . . . 38 K N . 17045 1
435 . 1 1 39 39 CYS HA H 1 4.489 0.015 . 1 . . . . 39 C HA . 17045 1
436 . 1 1 39 39 CYS HB2 H 1 2.967 0.015 . 1 . . . . 39 C QB . 17045 1
437 . 1 1 39 39 CYS HB3 H 1 2.967 0.015 . 1 . . . . 39 C QB . 17045 1
438 . 1 1 39 39 CYS C C 13 174.670 0.5 . 1 . . . . 39 C C . 17045 1
439 . 1 1 39 39 CYS CA C 13 59.087 0.5 . 1 . . . . 39 C CA . 17045 1
440 . 1 1 39 39 CYS CB C 13 27.857 0.5 . 1 . . . . 39 C CB . 17045 1
441 . 1 1 40 40 SER H H 1 8.355 0.015 . 1 . . . . 40 S H . 17045 1
442 . 1 1 40 40 SER HA H 1 4.525 0.015 . 1 . . . . 40 S HA . 17045 1
443 . 1 1 40 40 SER HB2 H 1 3.977 0.015 . 1 . . . . 40 S HB2 . 17045 1
444 . 1 1 40 40 SER HB3 H 1 3.839 0.015 . 1 . . . . 40 S HB3 . 17045 1
445 . 1 1 40 40 SER C C 13 174.835 0.5 . 1 . . . . 40 S C . 17045 1
446 . 1 1 40 40 SER CA C 13 58.126 0.5 . 1 . . . . 40 S CA . 17045 1
447 . 1 1 40 40 SER CB C 13 63.891 0.5 . 1 . . . . 40 S CB . 17045 1
448 . 1 1 40 40 SER N N 15 118.473 0.12 . 1 . . . . 40 S N . 17045 1
449 . 1 1 41 41 VAL H H 1 8.044 0.015 . 1 . . . . 41 V H . 17045 1
450 . 1 1 41 41 VAL HA H 1 4.136 0.015 . 1 . . . . 41 V HA . 17045 1
451 . 1 1 41 41 VAL HB H 1 2.148 0.015 . 1 . . . . 41 V HB . 17045 1
452 . 1 1 41 41 VAL HG11 H 1 0.929 0.015 . 2 . . . . 41 V QG1 . 17045 1
453 . 1 1 41 41 VAL HG12 H 1 0.929 0.015 . 2 . . . . 41 V QG1 . 17045 1
454 . 1 1 41 41 VAL HG13 H 1 0.929 0.015 . 2 . . . . 41 V QG1 . 17045 1
455 . 1 1 41 41 VAL HG21 H 1 0.925 0.015 . 2 . . . . 41 V QG2 . 17045 1
456 . 1 1 41 41 VAL HG22 H 1 0.925 0.015 . 2 . . . . 41 V QG2 . 17045 1
457 . 1 1 41 41 VAL HG23 H 1 0.925 0.015 . 2 . . . . 41 V QG2 . 17045 1
458 . 1 1 41 41 VAL C C 13 175.803 0.5 . 1 . . . . 41 V C . 17045 1
459 . 1 1 41 41 VAL CA C 13 62.450 0.5 . 1 . . . . 41 V CA . 17045 1
460 . 1 1 41 41 VAL CB C 13 32.662 0.5 . 1 . . . . 41 V CB . 17045 1
461 . 1 1 41 41 VAL CG1 C 13 21.131 0.5 . 1 . . . . 41 V CG1 . 17045 1
462 . 1 1 41 41 VAL CG2 C 13 20.170 0.5 . 1 . . . . 41 V CG2 . 17045 1
463 . 1 1 41 41 VAL N N 15 120.532 0.12 . 1 . . . . 41 V N . 17045 1
464 . 1 1 42 42 SER H H 1 8.134 0.015 . 1 . . . . 42 S H . 17045 1
465 . 1 1 42 42 SER HA H 1 4.398 0.015 . 1 . . . . 42 S HA . 17045 1
466 . 1 1 42 42 SER HB2 H 1 3.835 0.015 . 1 . . . . 42 S QB . 17045 1
467 . 1 1 42 42 SER HB3 H 1 3.835 0.015 . 1 . . . . 42 S QB . 17045 1
468 . 1 1 42 42 SER C C 13 174.394 0.5 . 1 . . . . 42 S C . 17045 1
469 . 1 1 42 42 SER CA C 13 58.126 0.5 . 1 . . . . 42 S CA . 17045 1
470 . 1 1 42 42 SER CB C 13 63.411 0.5 . 1 . . . . 42 S CB . 17045 1
471 . 1 1 42 42 SER N N 15 116.755 0.12 . 1 . . . . 42 S N . 17045 1
472 . 1 1 43 43 ASN H H 1 8.172 0.015 . 1 . . . . 43 N H . 17045 1
473 . 1 1 43 43 ASN HA H 1 4.686 0.015 . 1 . . . . 43 N HA . 17045 1
474 . 1 1 43 43 ASN HB2 H 1 2.957 0.015 . 1 . . . . 43 N HB2 . 17045 1
475 . 1 1 43 43 ASN HB3 H 1 2.875 0.015 . 1 . . . . 43 N HB3 . 17045 1
476 . 1 1 43 43 ASN HD21 H 1 7.595 0.015 . 1 . . . . 43 N HD21 . 17045 1
477 . 1 1 43 43 ASN HD22 H 1 6.890 0.015 . 1 . . . . 43 N HD22 . 17045 1
478 . 1 1 43 43 ASN CA C 13 53.321 0.5 . 1 . . . . 43 N CA . 17045 1
479 . 1 1 43 43 ASN CB C 13 38.907 0.5 . 1 . . . . 43 N CB . 17045 1
480 . 1 1 43 43 ASN N N 15 120.964 0.12 . 1 . . . . 43 N N . 17045 1
481 . 1 1 43 43 ASN ND2 N 15 113.076 0.12 . 1 . . . . 43 N ND2 . 17045 1
482 . 1 1 44 44 ASP H H 1 8.463 0.015 . 1 . . . . 44 D H . 17045 1
483 . 1 1 44 44 ASP HA H 1 4.380 0.015 . 1 . . . . 44 D HA . 17045 1
484 . 1 1 44 44 ASP HB2 H 1 2.720 0.015 . 1 . . . . 44 D HB2 . 17045 1
485 . 1 1 44 44 ASP HB3 H 1 2.665 0.015 . 1 . . . . 44 D HB3 . 17045 1
486 . 1 1 44 44 ASP C C 13 177.906 0.5 . 1 . . . . 44 D C . 17045 1
487 . 1 1 44 44 ASP CA C 13 56.204 0.5 . 1 . . . . 44 D CA . 17045 1
488 . 1 1 44 44 ASP CB C 13 40.829 0.5 . 1 . . . . 44 D CB . 17045 1
489 . 1 1 44 44 ASP N N 15 121.638 0.12 . 1 . . . . 44 D N . 17045 1
490 . 1 1 45 45 LEU H H 1 8.077 0.015 . 1 . . . . 45 L H . 17045 1
491 . 1 1 45 45 LEU HA H 1 4.155 0.015 . 1 . . . . 45 L HA . 17045 1
492 . 1 1 45 45 LEU HB2 H 1 1.762 0.015 . 1 . . . . 45 L HB2 . 17045 1
493 . 1 1 45 45 LEU HB3 H 1 1.628 0.015 . 1 . . . . 45 L HB3 . 17045 1
494 . 1 1 45 45 LEU HD11 H 1 0.926 0.015 . 2 . . . . 45 L QD1 . 17045 1
495 . 1 1 45 45 LEU HD12 H 1 0.926 0.015 . 2 . . . . 45 L QD1 . 17045 1
496 . 1 1 45 45 LEU HD13 H 1 0.926 0.015 . 2 . . . . 45 L QD1 . 17045 1
497 . 1 1 45 45 LEU HD21 H 1 0.863 0.015 . 2 . . . . 45 L QD2 . 17045 1
498 . 1 1 45 45 LEU HD22 H 1 0.863 0.015 . 2 . . . . 45 L QD2 . 17045 1
499 . 1 1 45 45 LEU HD23 H 1 0.863 0.015 . 2 . . . . 45 L QD2 . 17045 1
500 . 1 1 45 45 LEU HG H 1 1.663 0.015 . 1 . . . . 45 L HG . 17045 1
501 . 1 1 45 45 LEU C C 13 179.709 0.5 . 1 . . . . 45 L C . 17045 1
502 . 1 1 45 45 LEU CA C 13 58.126 0.5 . 1 . . . . 45 L CA . 17045 1
503 . 1 1 45 45 LEU CB C 13 41.310 0.5 . 1 . . . . 45 L CB . 17045 1
504 . 1 1 45 45 LEU CD1 C 13 24.974 0.5 . 1 . . . . 45 L CD1 . 17045 1
505 . 1 1 45 45 LEU CD2 C 13 24.013 0.5 . 1 . . . . 45 L CD2 . 17045 1
506 . 1 1 45 45 LEU CG C 13 26.896 0.5 . 1 . . . . 45 L CG . 17045 1
507 . 1 1 45 45 LEU N N 15 120.159 0.12 . 1 . . . . 45 L N . 17045 1
508 . 1 1 46 46 THR H H 1 7.930 0.015 . 1 . . . . 46 T H . 17045 1
509 . 1 1 46 46 THR HA H 1 3.952 0.015 . 1 . . . . 46 T HA . 17045 1
510 . 1 1 46 46 THR HB H 1 4.275 0.015 . 1 . . . . 46 T HB . 17045 1
511 . 1 1 46 46 THR HG21 H 1 1.225 0.015 . 1 . . . . 46 T QG2 . 17045 1
512 . 1 1 46 46 THR HG22 H 1 1.225 0.015 . 1 . . . . 46 T QG2 . 17045 1
513 . 1 1 46 46 THR HG23 H 1 1.225 0.015 . 1 . . . . 46 T QG2 . 17045 1
514 . 1 1 46 46 THR C C 13 176.344 0.5 . 1 . . . . 46 T C . 17045 1
515 . 1 1 46 46 THR CA C 13 65.813 0.5 . 1 . . . . 46 T CA . 17045 1
516 . 1 1 46 46 THR CB C 13 68.696 0.5 . 1 . . . . 46 T CB . 17045 1
517 . 1 1 46 46 THR CG2 C 13 23.052 0.5 . 1 . . . . 46 T CG2 . 17045 1
518 . 1 1 46 46 THR N N 15 116.513 0.12 . 1 . . . . 46 T N . 17045 1
519 . 1 1 47 47 GLN H H 1 8.182 0.015 . 1 . . . . 47 Q H . 17045 1
520 . 1 1 47 47 GLN HA H 1 3.936 0.015 . 1 . . . . 47 Q HA . 17045 1
521 . 1 1 47 47 GLN HB2 H 1 2.133 0.015 . 1 . . . . 47 Q QB . 17045 1
522 . 1 1 47 47 GLN HB3 H 1 2.133 0.015 . 1 . . . . 47 Q QB . 17045 1
523 . 1 1 47 47 GLN HE21 H 1 7.351 0.015 . 1 . . . . 47 Q HE21 . 17045 1
524 . 1 1 47 47 GLN HE22 H 1 6.775 0.015 . 1 . . . . 47 Q HE22 . 17045 1
525 . 1 1 47 47 GLN HG2 H 1 2.401 0.015 . 1 . . . . 47 Q QG . 17045 1
526 . 1 1 47 47 GLN HG3 H 1 2.401 0.015 . 1 . . . . 47 Q QG . 17045 1
527 . 1 1 47 47 GLN C C 13 178.652 0.5 . 1 . . . . 47 Q C . 17045 1
528 . 1 1 47 47 GLN CA C 13 59.087 0.5 . 1 . . . . 47 Q CA . 17045 1
529 . 1 1 47 47 GLN CB C 13 27.857 0.5 . 1 . . . . 47 Q CB . 17045 1
530 . 1 1 47 47 GLN CG C 13 34.103 0.5 . 1 . . . . 47 Q CG . 17045 1
531 . 1 1 47 47 GLN N N 15 119.638 0.12 . 1 . . . . 47 Q N . 17045 1
532 . 1 1 47 47 GLN NE2 N 15 112.455 0.12 . 1 . . . . 47 Q NE2 . 17045 1
533 . 1 1 48 48 GLN H H 1 8.028 0.015 . 1 . . . . 48 Q H . 17045 1
534 . 1 1 48 48 GLN HA H 1 4.014 0.015 . 1 . . . . 48 Q HA . 17045 1
535 . 1 1 48 48 GLN HB2 H 1 2.178 0.015 . 1 . . . . 48 Q QB . 17045 1
536 . 1 1 48 48 GLN HB3 H 1 2.178 0.015 . 1 . . . . 48 Q QB . 17045 1
537 . 1 1 48 48 GLN HE21 H 1 7.353 0.015 . 1 . . . . 48 Q HE21 . 17045 1
538 . 1 1 48 48 GLN HE22 H 1 6.775 0.015 . 1 . . . . 48 Q HE22 . 17045 1
539 . 1 1 48 48 GLN HG2 H 1 2.392 0.015 . 1 . . . . 48 Q QG . 17045 1
540 . 1 1 48 48 GLN HG3 H 1 2.392 0.015 . 1 . . . . 48 Q QG . 17045 1
541 . 1 1 48 48 GLN C C 13 178.564 0.5 . 1 . . . . 48 Q C . 17045 1
542 . 1 1 48 48 GLN CA C 13 59.087 0.5 . 1 . . . . 48 Q CA . 17045 1
543 . 1 1 48 48 GLN CB C 13 28.337 0.5 . 1 . . . . 48 Q CB . 17045 1
544 . 1 1 48 48 GLN CG C 13 33.622 0.5 . 1 . . . . 48 Q CG . 17045 1
545 . 1 1 48 48 GLN N N 15 119.127 0.12 . 1 . . . . 48 Q N . 17045 1
546 . 1 1 48 48 GLN NE2 N 15 112.248 0.12 . 1 . . . . 48 Q NE2 . 17045 1
547 . 1 1 49 49 GLU H H 1 8.048 0.015 . 1 . . . . 49 E H . 17045 1
548 . 1 1 49 49 GLU HA H 1 4.038 0.015 . 1 . . . . 49 E HA . 17045 1
549 . 1 1 49 49 GLU HB2 H 1 2.189 0.015 . 1 . . . . 49 E QB . 17045 1
550 . 1 1 49 49 GLU HB3 H 1 2.189 0.015 . 1 . . . . 49 E QB . 17045 1
551 . 1 1 49 49 GLU HG2 H 1 2.393 0.015 . 1 . . . . 49 E QG . 17045 1
552 . 1 1 49 49 GLU HG3 H 1 2.393 0.015 . 1 . . . . 49 E QG . 17045 1
553 . 1 1 49 49 GLU C C 13 179.677 0.5 . 1 . . . . 49 E C . 17045 1
554 . 1 1 49 49 GLU CA C 13 59.567 0.5 . 1 . . . . 49 E CA . 17045 1
555 . 1 1 49 49 GLU CB C 13 29.298 0.5 . 1 . . . . 49 E CB . 17045 1
556 . 1 1 49 49 GLU CG C 13 36.505 0.5 . 1 . . . . 49 E CG . 17045 1
557 . 1 1 49 49 GLU N N 15 121.821 0.12 . 1 . . . . 49 E N . 17045 1
558 . 1 1 50 50 ILE H H 1 8.254 0.015 . 1 . . . . 50 I H . 17045 1
559 . 1 1 50 50 ILE HA H 1 3.420 0.015 . 1 . . . . 50 I HA . 17045 1
560 . 1 1 50 50 ILE HB H 1 1.860 0.015 . 1 . . . . 50 I HB . 17045 1
561 . 1 1 50 50 ILE HD11 H 1 0.715 0.015 . 1 . . . . 50 I QD1 . 17045 1
562 . 1 1 50 50 ILE HD12 H 1 0.715 0.015 . 1 . . . . 50 I QD1 . 17045 1
563 . 1 1 50 50 ILE HD13 H 1 0.715 0.015 . 1 . . . . 50 I QD1 . 17045 1
564 . 1 1 50 50 ILE HG12 H 1 0.692 0.015 . 1 . . . . 50 I QG1 . 17045 1
565 . 1 1 50 50 ILE HG13 H 1 0.692 0.015 . 1 . . . . 50 I QG1 . 17045 1
566 . 1 1 50 50 ILE HG21 H 1 0.779 0.015 . 1 . . . . 50 I QG2 . 17045 1
567 . 1 1 50 50 ILE HG22 H 1 0.779 0.015 . 1 . . . . 50 I QG2 . 17045 1
568 . 1 1 50 50 ILE HG23 H 1 0.779 0.015 . 1 . . . . 50 I QG2 . 17045 1
569 . 1 1 50 50 ILE C C 13 177.210 0.5 . 1 . . . . 50 I C . 17045 1
570 . 1 1 50 50 ILE CA C 13 66.294 0.5 . 1 . . . . 50 I CA . 17045 1
571 . 1 1 50 50 ILE CB C 13 37.947 0.5 . 1 . . . . 50 I CB . 17045 1
572 . 1 1 50 50 ILE CD1 C 13 13.443 0.5 . 1 . . . . 50 I CD1 . 17045 1
573 . 1 1 50 50 ILE CG1 C 13 31.701 0.5 . 1 . . . . 50 I CG1 . 17045 1
574 . 1 1 50 50 ILE CG2 C 13 16.806 0.5 . 1 . . . . 50 I CG2 . 17045 1
575 . 1 1 50 50 ILE N N 15 120.603 0.12 . 1 . . . . 50 I N . 17045 1
576 . 1 1 51 51 ARG H H 1 7.923 0.015 . 1 . . . . 51 R H . 17045 1
577 . 1 1 51 51 ARG HA H 1 4.106 0.015 . 1 . . . . 51 R HA . 17045 1
578 . 1 1 51 51 ARG HB2 H 1 1.941 0.015 . 1 . . . . 51 R HB2 . 17045 1
579 . 1 1 51 51 ARG HB3 H 1 1.849 0.015 . 1 . . . . 51 R HB3 . 17045 1
580 . 1 1 51 51 ARG HD2 H 1 3.174 0.015 . 1 . . . . 51 R QD . 17045 1
581 . 1 1 51 51 ARG HD3 H 1 3.174 0.015 . 1 . . . . 51 R QD . 17045 1
582 . 1 1 51 51 ARG HG2 H 1 1.706 0.015 . 1 . . . . 51 R QG . 17045 1
583 . 1 1 51 51 ARG HG3 H 1 1.706 0.015 . 1 . . . . 51 R QG . 17045 1
584 . 1 1 51 51 ARG C C 13 180.280 0.5 . 1 . . . . 51 R C . 17045 1
585 . 1 1 51 51 ARG CA C 13 59.567 0.5 . 1 . . . . 51 R CA . 17045 1
586 . 1 1 51 51 ARG CB C 13 29.779 0.5 . 1 . . . . 51 R CB . 17045 1
587 . 1 1 51 51 ARG CD C 13 43.712 0.5 . 1 . . . . 51 R CD . 17045 1
588 . 1 1 51 51 ARG CG C 13 27.857 0.5 . 1 . . . . 51 R CG . 17045 1
589 . 1 1 51 51 ARG N N 15 118.440 0.12 . 1 . . . . 51 R N . 17045 1
590 . 1 1 52 52 THR H H 1 8.177 0.015 . 1 . . . . 52 T H . 17045 1
591 . 1 1 52 52 THR HA H 1 3.930 0.015 . 1 . . . . 52 T HA . 17045 1
592 . 1 1 52 52 THR HB H 1 4.280 0.015 . 1 . . . . 52 T HB . 17045 1
593 . 1 1 52 52 THR HG21 H 1 1.230 0.015 . 1 . . . . 52 T QG2 . 17045 1
594 . 1 1 52 52 THR HG22 H 1 1.230 0.015 . 1 . . . . 52 T QG2 . 17045 1
595 . 1 1 52 52 THR HG23 H 1 1.230 0.015 . 1 . . . . 52 T QG2 . 17045 1
596 . 1 1 52 52 THR C C 13 176.655 0.5 . 1 . . . . 52 T C . 17045 1
597 . 1 1 52 52 THR CA C 13 66.294 0.5 . 1 . . . . 52 T CA . 17045 1
598 . 1 1 52 52 THR CB C 13 68.696 0.5 . 1 . . . . 52 T CB . 17045 1
599 . 1 1 52 52 THR CG2 C 13 22.091 0.5 . 1 . . . . 52 T CG2 . 17045 1
600 . 1 1 52 52 THR N N 15 117.193 0.12 . 1 . . . . 52 T N . 17045 1
601 . 1 1 53 53 LEU H H 1 7.978 0.015 . 1 . . . . 53 L H . 17045 1
602 . 1 1 53 53 LEU HA H 1 4.042 0.015 . 1 . . . . 53 L HA . 17045 1
603 . 1 1 53 53 LEU HB2 H 1 1.938 0.015 . 1 . . . . 53 L HB2 . 17045 1
604 . 1 1 53 53 LEU HB3 H 1 1.472 0.015 . 1 . . . . 53 L HB3 . 17045 1
605 . 1 1 53 53 LEU HD11 H 1 0.975 0.015 . 2 . . . . 53 L QD1 . 17045 1
606 . 1 1 53 53 LEU HD12 H 1 0.975 0.015 . 2 . . . . 53 L QD1 . 17045 1
607 . 1 1 53 53 LEU HD13 H 1 0.975 0.015 . 2 . . . . 53 L QD1 . 17045 1
608 . 1 1 53 53 LEU HD21 H 1 0.961 0.015 . 2 . . . . 53 L QD2 . 17045 1
609 . 1 1 53 53 LEU HD22 H 1 0.961 0.015 . 2 . . . . 53 L QD2 . 17045 1
610 . 1 1 53 53 LEU HD23 H 1 0.961 0.015 . 2 . . . . 53 L QD2 . 17045 1
611 . 1 1 53 53 LEU HG H 1 1.724 0.015 . 1 . . . . 53 L HG . 17045 1
612 . 1 1 53 53 LEU C C 13 178.979 0.5 . 1 . . . . 53 L C . 17045 1
613 . 1 1 53 53 LEU CA C 13 58.126 0.5 . 1 . . . . 53 L CA . 17045 1
614 . 1 1 53 53 LEU CB C 13 42.751 0.5 . 1 . . . . 53 L CB . 17045 1
615 . 1 1 53 53 LEU CD1 C 13 25.455 0.5 . 1 . . . . 53 L CD1 . 17045 1
616 . 1 1 53 53 LEU CD2 C 13 24.013 0.5 . 1 . . . . 53 L CD2 . 17045 1
617 . 1 1 53 53 LEU CG C 13 27.376 0.5 . 1 . . . . 53 L CG . 17045 1
618 . 1 1 53 53 LEU N N 15 124.403 0.12 . 1 . . . . 53 L N . 17045 1
619 . 1 1 54 54 GLU H H 1 8.802 0.015 . 1 . . . . 54 E H . 17045 1
620 . 1 1 54 54 GLU HA H 1 3.592 0.015 . 1 . . . . 54 E HA . 17045 1
621 . 1 1 54 54 GLU HB2 H 1 2.126 0.015 . 1 . . . . 54 E HB2 . 17045 1
622 . 1 1 54 54 GLU HB3 H 1 1.650 0.015 . 1 . . . . 54 E HB3 . 17045 1
623 . 1 1 54 54 GLU HG2 H 1 2.475 0.015 . 1 . . . . 54 E HG2 . 17045 1
624 . 1 1 54 54 GLU HG3 H 1 1.868 0.015 . 1 . . . . 54 E HG3 . 17045 1
625 . 1 1 54 54 GLU C C 13 177.955 0.5 . 1 . . . . 54 E C . 17045 1
626 . 1 1 54 54 GLU CA C 13 60.528 0.5 . 1 . . . . 54 E CA . 17045 1
627 . 1 1 54 54 GLU CB C 13 29.298 0.5 . 1 . . . . 54 E CB . 17045 1
628 . 1 1 54 54 GLU CG C 13 37.947 0.5 . 1 . . . . 54 E CG . 17045 1
629 . 1 1 54 54 GLU N N 15 118.905 0.12 . 1 . . . . 54 E N . 17045 1
630 . 1 1 55 55 ALA H H 1 7.625 0.015 . 1 . . . . 55 A H . 17045 1
631 . 1 1 55 55 ALA HA H 1 4.027 0.015 . 1 . . . . 55 A HA . 17045 1
632 . 1 1 55 55 ALA HB1 H 1 1.452 0.015 . 1 . . . . 55 A QB . 17045 1
633 . 1 1 55 55 ALA HB2 H 1 1.452 0.015 . 1 . . . . 55 A QB . 17045 1
634 . 1 1 55 55 ALA HB3 H 1 1.452 0.015 . 1 . . . . 55 A QB . 17045 1
635 . 1 1 55 55 ALA C C 13 181.054 0.5 . 1 . . . . 55 A C . 17045 1
636 . 1 1 55 55 ALA CA C 13 55.243 0.5 . 1 . . . . 55 A CA . 17045 1
637 . 1 1 55 55 ALA CB C 13 17.767 0.5 . 1 . . . . 55 A CB . 17045 1
638 . 1 1 55 55 ALA N N 15 118.661 0.12 . 1 . . . . 55 A N . 17045 1
639 . 1 1 56 56 LYS H H 1 7.694 0.015 . 1 . . . . 56 K H . 17045 1
640 . 1 1 56 56 LYS HA H 1 3.643 0.015 . 1 . . . . 56 K HA . 17045 1
641 . 1 1 56 56 LYS HB2 H 1 1.816 0.015 . 1 . . . . 56 K HB2 . 17045 1
642 . 1 1 56 56 LYS HB3 H 1 1.657 0.015 . 1 . . . . 56 K HB3 . 17045 1
643 . 1 1 56 56 LYS HD2 H 1 1.637 0.015 . 1 . . . . 56 K QD . 17045 1
644 . 1 1 56 56 LYS HD3 H 1 1.637 0.015 . 1 . . . . 56 K QD . 17045 1
645 . 1 1 56 56 LYS HE2 H 1 2.894 0.015 . 1 . . . . 56 K QE . 17045 1
646 . 1 1 56 56 LYS HE3 H 1 2.894 0.015 . 1 . . . . 56 K QE . 17045 1
647 . 1 1 56 56 LYS HG2 H 1 1.385 0.015 . 1 . . . . 56 K HG2 . 17045 1
648 . 1 1 56 56 LYS HG3 H 1 1.155 0.015 . 1 . . . . 56 K HG3 . 17045 1
649 . 1 1 56 56 LYS C C 13 177.598 0.5 . 1 . . . . 56 K C . 17045 1
650 . 1 1 56 56 LYS CA C 13 59.567 0.5 . 1 . . . . 56 K CA . 17045 1
651 . 1 1 56 56 LYS CB C 13 32.181 0.5 . 1 . . . . 56 K CB . 17045 1
652 . 1 1 56 56 LYS CD C 13 29.779 0.5 . 1 . . . . 56 K CD . 17045 1
653 . 1 1 56 56 LYS CE C 13 41.790 0.5 . 1 . . . . 56 K CE . 17045 1
654 . 1 1 56 56 LYS CG C 13 24.494 0.5 . 1 . . . . 56 K CG . 17045 1
655 . 1 1 56 56 LYS N N 15 120.498 0.12 . 1 . . . . 56 K N . 17045 1
656 . 1 1 57 57 LEU H H 1 8.180 0.015 . 1 . . . . 57 L H . 17045 1
657 . 1 1 57 57 LEU HA H 1 3.893 0.015 . 1 . . . . 57 L HA . 17045 1
658 . 1 1 57 57 LEU HB2 H 1 2.100 0.015 . 1 . . . . 57 L HB2 . 17045 1
659 . 1 1 57 57 LEU HB3 H 1 1.316 0.015 . 1 . . . . 57 L HB3 . 17045 1
660 . 1 1 57 57 LEU HD11 H 1 0.803 0.015 . 2 . . . . 57 L QQD . 17045 1
661 . 1 1 57 57 LEU HD12 H 1 0.803 0.015 . 2 . . . . 57 L QQD . 17045 1
662 . 1 1 57 57 LEU HD13 H 1 0.803 0.015 . 2 . . . . 57 L QQD . 17045 1
663 . 1 1 57 57 LEU HD21 H 1 0.803 0.015 . 2 . . . . 57 L QQD . 17045 1
664 . 1 1 57 57 LEU HD22 H 1 0.803 0.015 . 2 . . . . 57 L QQD . 17045 1
665 . 1 1 57 57 LEU HD23 H 1 0.803 0.015 . 2 . . . . 57 L QQD . 17045 1
666 . 1 1 57 57 LEU HG H 1 1.230 0.015 . 1 . . . . 57 L HG . 17045 1
667 . 1 1 57 57 LEU C C 13 178.751 0.5 . 1 . . . . 57 L C . 17045 1
668 . 1 1 57 57 LEU CA C 13 59.087 0.5 . 1 . . . . 57 L CA . 17045 1
669 . 1 1 57 57 LEU CB C 13 42.271 0.5 . 1 . . . . 57 L CB . 17045 1
670 . 1 1 57 57 LEU CD1 C 13 26.896 0.5 . 1 . . . . 57 L CD1 . 17045 1
671 . 1 1 57 57 LEU CD2 C 13 26.896 0.5 . 1 . . . . 57 L CD2 . 17045 1
672 . 1 1 57 57 LEU CG C 13 26.896 0.5 . 1 . . . . 57 L CG . 17045 1
673 . 1 1 57 57 LEU N N 15 118.761 0.12 . 1 . . . . 57 L N . 17045 1
674 . 1 1 58 58 VAL H H 1 8.037 0.015 . 1 . . . . 58 V H . 17045 1
675 . 1 1 58 58 VAL HA H 1 3.618 0.015 . 1 . . . . 58 V HA . 17045 1
676 . 1 1 58 58 VAL HB H 1 2.138 0.015 . 1 . . . . 58 V HB . 17045 1
677 . 1 1 58 58 VAL HG11 H 1 1.064 0.015 . 2 . . . . 58 V QG1 . 17045 1
678 . 1 1 58 58 VAL HG12 H 1 1.064 0.015 . 2 . . . . 58 V QG1 . 17045 1
679 . 1 1 58 58 VAL HG13 H 1 1.064 0.015 . 2 . . . . 58 V QG1 . 17045 1
680 . 1 1 58 58 VAL HG21 H 1 1.052 0.015 . 2 . . . . 58 V QG2 . 17045 1
681 . 1 1 58 58 VAL HG22 H 1 1.052 0.015 . 2 . . . . 58 V QG2 . 17045 1
682 . 1 1 58 58 VAL HG23 H 1 1.052 0.015 . 2 . . . . 58 V QG2 . 17045 1
683 . 1 1 58 58 VAL C C 13 178.343 0.5 . 1 . . . . 58 V C . 17045 1
684 . 1 1 58 58 VAL CA C 13 67.254 0.5 . 1 . . . . 58 V CA . 17045 1
685 . 1 1 58 58 VAL CB C 13 31.701 0.5 . 1 . . . . 58 V CB . 17045 1
686 . 1 1 58 58 VAL CG1 C 13 24.013 0.5 . 1 . . . . 58 V CG1 . 17045 1
687 . 1 1 58 58 VAL CG2 C 13 22.091 0.5 . 1 . . . . 58 V CG2 . 17045 1
688 . 1 1 58 58 VAL N N 15 118.069 0.12 . 1 . . . . 58 V N . 17045 1
689 . 1 1 59 59 LYS H H 1 7.375 0.015 . 1 . . . . 59 K H . 17045 1
690 . 1 1 59 59 LYS HA H 1 4.015 0.015 . 1 . . . . 59 K HA . 17045 1
691 . 1 1 59 59 LYS HB2 H 1 1.842 0.015 . 1 . . . . 59 K QB . 17045 1
692 . 1 1 59 59 LYS HB3 H 1 1.842 0.015 . 1 . . . . 59 K QB . 17045 1
693 . 1 1 59 59 LYS HD2 H 1 1.565 0.015 . 1 . . . . 59 K QD . 17045 1
694 . 1 1 59 59 LYS HD3 H 1 1.565 0.015 . 1 . . . . 59 K QD . 17045 1
695 . 1 1 59 59 LYS HE2 H 1 2.914 0.015 . 1 . . . . 59 K QE . 17045 1
696 . 1 1 59 59 LYS HE3 H 1 2.914 0.015 . 1 . . . . 59 K QE . 17045 1
697 . 1 1 59 59 LYS HG2 H 1 1.319 0.015 . 1 . . . . 59 K QG . 17045 1
698 . 1 1 59 59 LYS HG3 H 1 1.319 0.015 . 1 . . . . 59 K QG . 17045 1
699 . 1 1 59 59 LYS C C 13 180.042 0.5 . 1 . . . . 59 K C . 17045 1
700 . 1 1 59 59 LYS CA C 13 60.048 0.5 . 1 . . . . 59 K CA . 17045 1
701 . 1 1 59 59 LYS CB C 13 31.701 0.5 . 1 . . . . 59 K CB . 17045 1
702 . 1 1 59 59 LYS CD C 13 29.298 0.5 . 1 . . . . 59 K CD . 17045 1
703 . 1 1 59 59 LYS CE C 13 44.673 0.5 . 1 . . . . 59 K CE . 17045 1
704 . 1 1 59 59 LYS CG C 13 24.974 0.5 . 1 . . . . 59 K CG . 17045 1
705 . 1 1 59 59 LYS N N 15 120.354 0.12 . 1 . . . . 59 K N . 17045 1
706 . 1 1 60 60 TYR H H 1 8.201 0.015 . 1 . . . . 60 Y H . 17045 1
707 . 1 1 60 60 TYR HA H 1 4.555 0.015 . 1 . . . . 60 Y HA . 17045 1
708 . 1 1 60 60 TYR HB2 H 1 3.235 0.015 . 1 . . . . 60 Y HB2 . 17045 1
709 . 1 1 60 60 TYR HB3 H 1 3.063 0.015 . 1 . . . . 60 Y HB3 . 17045 1
710 . 1 1 60 60 TYR HD1 H 1 6.850 0.015 . 1 . . . . 60 Y QD . 17045 1
711 . 1 1 60 60 TYR HD2 H 1 6.850 0.015 . 1 . . . . 60 Y QD . 17045 1
712 . 1 1 60 60 TYR HE1 H 1 6.648 0.015 . 1 . . . . 60 Y QE . 17045 1
713 . 1 1 60 60 TYR HE2 H 1 6.648 0.015 . 1 . . . . 60 Y QE . 17045 1
714 . 1 1 60 60 TYR C C 13 179.224 0.5 . 1 . . . . 60 Y C . 17045 1
715 . 1 1 60 60 TYR CA C 13 58.606 0.5 . 1 . . . . 60 Y CA . 17045 1
716 . 1 1 60 60 TYR CB C 13 37.947 0.5 . 1 . . . . 60 Y CB . 17045 1
717 . 1 1 60 60 TYR N N 15 118.762 0.12 . 1 . . . . 60 Y N . 17045 1
718 . 1 1 61 61 ILE H H 1 8.522 0.015 . 1 . . . . 61 I H . 17045 1
719 . 1 1 61 61 ILE HA H 1 4.242 0.015 . 1 . . . . 61 I HA . 17045 1
720 . 1 1 61 61 ILE HB H 1 2.407 0.015 . 1 . . . . 61 I HB . 17045 1
721 . 1 1 61 61 ILE HD11 H 1 1.188 0.015 . 1 . . . . 61 I QD1 . 17045 1
722 . 1 1 61 61 ILE HD12 H 1 1.188 0.015 . 1 . . . . 61 I QD1 . 17045 1
723 . 1 1 61 61 ILE HD13 H 1 1.188 0.015 . 1 . . . . 61 I QD1 . 17045 1
724 . 1 1 61 61 ILE HG12 H 1 1.897 0.015 . 1 . . . . 61 I QG1 . 17045 1
725 . 1 1 61 61 ILE HG13 H 1 1.897 0.015 . 1 . . . . 61 I QG1 . 17045 1
726 . 1 1 61 61 ILE HG21 H 1 1.210 0.015 . 1 . . . . 61 I QG2 . 17045 1
727 . 1 1 61 61 ILE HG22 H 1 1.210 0.015 . 1 . . . . 61 I QG2 . 17045 1
728 . 1 1 61 61 ILE HG23 H 1 1.210 0.015 . 1 . . . . 61 I QG2 . 17045 1
729 . 1 1 61 61 ILE C C 13 179.310 0.5 . 1 . . . . 61 I C . 17045 1
730 . 1 1 61 61 ILE CA C 13 64.372 0.5 . 1 . . . . 61 I CA . 17045 1
731 . 1 1 61 61 ILE CB C 13 37.466 0.5 . 1 . . . . 61 I CB . 17045 1
732 . 1 1 61 61 ILE CD1 C 13 13.443 0.5 . 1 . . . . 61 I CD1 . 17045 1
733 . 1 1 61 61 ILE CG1 C 13 28.337 0.5 . 1 . . . . 61 I CG1 . 17045 1
734 . 1 1 61 61 ILE CG2 C 13 17.767 0.5 . 1 . . . . 61 I CG2 . 17045 1
735 . 1 1 61 61 ILE N N 15 118.698 0.12 . 1 . . . . 61 I N . 17045 1
736 . 1 1 62 62 CYS H H 1 8.534 0.015 . 1 . . . . 62 C H . 17045 1
737 . 1 1 62 62 CYS HA H 1 4.125 0.015 . 1 . . . . 62 C HA . 17045 1
738 . 1 1 62 62 CYS HB2 H 1 3.272 0.015 . 1 . . . . 62 C HB2 . 17045 1
739 . 1 1 62 62 CYS HB3 H 1 2.858 0.015 . 1 . . . . 62 C HB3 . 17045 1
740 . 1 1 62 62 CYS C C 13 177.238 0.5 . 1 . . . . 62 C C . 17045 1
741 . 1 1 62 62 CYS CA C 13 64.852 0.5 . 1 . . . . 62 C CA . 17045 1
742 . 1 1 62 62 CYS CB C 13 26.416 0.5 . 1 . . . . 62 C CB . 17045 1
743 . 1 1 62 62 CYS N N 15 119.090 0.12 . 1 . . . . 62 C N . 17045 1
744 . 1 1 63 63 LYS H H 1 8.250 0.015 . 1 . . . . 63 K H . 17045 1
745 . 1 1 63 63 LYS HA H 1 4.206 0.015 . 1 . . . . 63 K HA . 17045 1
746 . 1 1 63 63 LYS HB2 H 1 2.148 0.015 . 1 . . . . 63 K HB2 . 17045 1
747 . 1 1 63 63 LYS HB3 H 1 1.993 0.015 . 1 . . . . 63 K HB3 . 17045 1
748 . 1 1 63 63 LYS HD2 H 1 1.722 0.015 . 1 . . . . 63 K QD . 17045 1
749 . 1 1 63 63 LYS HD3 H 1 1.722 0.015 . 1 . . . . 63 K QD . 17045 1
750 . 1 1 63 63 LYS HE2 H 1 2.971 0.015 . 1 . . . . 63 K QE . 17045 1
751 . 1 1 63 63 LYS HE3 H 1 2.971 0.015 . 1 . . . . 63 K QE . 17045 1
752 . 1 1 63 63 LYS HG2 H 1 1.716 0.015 . 1 . . . . 63 K HG2 . 17045 1
753 . 1 1 63 63 LYS HG3 H 1 1.557 0.015 . 1 . . . . 63 K HG3 . 17045 1
754 . 1 1 63 63 LYS C C 13 180.162 0.5 . 1 . . . . 63 K C . 17045 1
755 . 1 1 63 63 LYS CA C 13 59.087 0.5 . 1 . . . . 63 K CA . 17045 1
756 . 1 1 63 63 LYS CB C 13 32.181 0.5 . 1 . . . . 63 K CB . 17045 1
757 . 1 1 63 63 LYS CD C 13 25.935 0.5 . 1 . . . . 63 K CD . 17045 1
758 . 1 1 63 63 LYS CE C 13 41.790 0.5 . 1 . . . . 63 K CE . 17045 1
759 . 1 1 63 63 LYS CG C 13 25.455 0.5 . 1 . . . . 63 K CG . 17045 1
760 . 1 1 63 63 LYS N N 15 120.598 0.12 . 1 . . . . 63 K N . 17045 1
761 . 1 1 64 64 GLN H H 1 8.217 0.015 . 1 . . . . 64 Q H . 17045 1
762 . 1 1 64 64 GLN HA H 1 4.012 0.015 . 1 . . . . 64 Q HA . 17045 1
763 . 1 1 64 64 GLN HB2 H 1 1.715 0.015 . 1 . . . . 64 Q QB . 17045 1
764 . 1 1 64 64 GLN HB3 H 1 1.715 0.015 . 1 . . . . 64 Q QB . 17045 1
765 . 1 1 64 64 GLN HE21 H 1 7.481 0.015 . 1 . . . . 64 Q HE21 . 17045 1
766 . 1 1 64 64 GLN HE22 H 1 6.567 0.015 . 1 . . . . 64 Q HE22 . 17045 1
767 . 1 1 64 64 GLN HG2 H 1 2.798 0.015 . 1 . . . . 64 Q HG2 . 17045 1
768 . 1 1 64 64 GLN HG3 H 1 1.919 0.015 . 1 . . . . 64 Q HG3 . 17045 1
769 . 1 1 64 64 GLN C C 13 177.397 0.5 . 1 . . . . 64 Q C . 17045 1
770 . 1 1 64 64 GLN CA C 13 59.567 0.5 . 1 . . . . 64 Q CA . 17045 1
771 . 1 1 64 64 GLN CB C 13 29.779 0.5 . 1 . . . . 64 Q CB . 17045 1
772 . 1 1 64 64 GLN CG C 13 36.986 0.5 . 1 . . . . 64 Q CG . 17045 1
773 . 1 1 64 64 GLN N N 15 122.039 0.12 . 1 . . . . 64 Q N . 17045 1
774 . 1 1 64 64 GLN NE2 N 15 110.254 0.12 . 1 . . . . 64 Q NE2 . 17045 1
775 . 1 1 65 65 GLN H H 1 8.061 0.015 . 1 . . . . 65 Q H . 17045 1
776 . 1 1 65 65 GLN HA H 1 4.102 0.015 . 1 . . . . 65 Q HA . 17045 1
777 . 1 1 65 65 GLN HB2 H 1 2.230 0.015 . 1 . . . . 65 Q QB . 17045 1
778 . 1 1 65 65 GLN HB3 H 1 2.230 0.015 . 1 . . . . 65 Q QB . 17045 1
779 . 1 1 65 65 GLN HE21 H 1 7.202 0.015 . 1 . . . . 65 Q HE21 . 17045 1
780 . 1 1 65 65 GLN HE22 H 1 6.815 0.015 . 1 . . . . 65 Q HE22 . 17045 1
781 . 1 1 65 65 GLN HG2 H 1 2.461 0.015 . 1 . . . . 65 Q QG . 17045 1
782 . 1 1 65 65 GLN HG3 H 1 2.461 0.015 . 1 . . . . 65 Q QG . 17045 1
783 . 1 1 65 65 GLN C C 13 177.266 0.5 . 1 . . . . 65 Q C . 17045 1
784 . 1 1 65 65 GLN CA C 13 59.567 0.5 . 1 . . . . 65 Q CA . 17045 1
785 . 1 1 65 65 GLN CB C 13 26.896 0.5 . 1 . . . . 65 Q CB . 17045 1
786 . 1 1 65 65 GLN CG C 13 29.779 0.5 . 1 . . . . 65 Q CG . 17045 1
787 . 1 1 65 65 GLN N N 15 119.690 0.12 . 1 . . . . 65 Q N . 17045 1
788 . 1 1 65 65 GLN NE2 N 15 106.451 0.12 . 1 . . . . 65 Q NE2 . 17045 1
789 . 1 1 66 66 GLN H H 1 8.372 0.015 . 1 . . . . 66 Q H . 17045 1
790 . 1 1 66 66 GLN HA H 1 3.635 0.015 . 1 . . . . 66 Q HA . 17045 1
791 . 1 1 66 66 GLN HB2 H 1 2.191 0.015 . 1 . . . . 66 Q HB2 . 17045 1
792 . 1 1 66 66 GLN HB3 H 1 2.088 0.015 . 1 . . . . 66 Q HB3 . 17045 1
793 . 1 1 66 66 GLN HE21 H 1 7.532 0.015 . 1 . . . . 66 Q HE21 . 17045 1
794 . 1 1 66 66 GLN HE22 H 1 6.731 0.015 . 1 . . . . 66 Q HE22 . 17045 1
795 . 1 1 66 66 GLN HG2 H 1 2.600 0.015 . 1 . . . . 66 Q HG2 . 17045 1
796 . 1 1 66 66 GLN HG3 H 1 2.296 0.015 . 1 . . . . 66 Q HG3 . 17045 1
797 . 1 1 66 66 GLN C C 13 177.978 0.5 . 1 . . . . 66 Q C . 17045 1
798 . 1 1 66 66 GLN CA C 13 59.567 0.5 . 1 . . . . 66 Q CA . 17045 1
799 . 1 1 66 66 GLN CB C 13 29.298 0.5 . 1 . . . . 66 Q CB . 17045 1
800 . 1 1 66 66 GLN CG C 13 33.622 0.5 . 1 . . . . 66 Q CG . 17045 1
801 . 1 1 66 66 GLN N N 15 118.455 0.12 . 1 . . . . 66 Q N . 17045 1
802 . 1 1 66 66 GLN NE2 N 15 112.041 0.12 . 1 . . . . 66 Q NE2 . 17045 1
803 . 1 1 67 67 SER H H 1 7.869 0.015 . 1 . . . . 67 S H . 17045 1
804 . 1 1 67 67 SER HA H 1 4.090 0.015 . 1 . . . . 67 S HA . 17045 1
805 . 1 1 67 67 SER HB2 H 1 3.985 0.015 . 1 . . . . 67 S HB2 . 17045 1
806 . 1 1 67 67 SER HB3 H 1 3.829 0.015 . 1 . . . . 67 S HB3 . 17045 1
807 . 1 1 67 67 SER C C 13 177.662 0.5 . 1 . . . . 67 S C . 17045 1
808 . 1 1 67 67 SER CA C 13 62.450 0.5 . 1 . . . . 67 S CA . 17045 1
809 . 1 1 67 67 SER CB C 13 63.411 0.5 . 1 . . . . 67 S CB . 17045 1
810 . 1 1 67 67 SER N N 15 114.639 0.12 . 1 . . . . 67 S N . 17045 1
811 . 1 1 68 68 LYS H H 1 8.036 0.015 . 1 . . . . 68 K H . 17045 1
812 . 1 1 68 68 LYS HA H 1 3.773 0.015 . 1 . . . . 68 K HA . 17045 1
813 . 1 1 68 68 LYS HB2 H 1 1.579 0.015 . 1 . . . . 68 K QB . 17045 1
814 . 1 1 68 68 LYS HB3 H 1 1.579 0.015 . 1 . . . . 68 K QB . 17045 1
815 . 1 1 68 68 LYS HD2 H 1 2.184 0.015 . 1 . . . . 68 K QD . 17045 1
816 . 1 1 68 68 LYS HD3 H 1 2.184 0.015 . 1 . . . . 68 K QD . 17045 1
817 . 1 1 68 68 LYS HE2 H 1 2.789 0.015 . 1 . . . . 68 K QE . 17045 1
818 . 1 1 68 68 LYS HE3 H 1 2.789 0.015 . 1 . . . . 68 K QE . 17045 1
819 . 1 1 68 68 LYS HG2 H 1 1.415 0.015 . 1 . . . . 68 K HG2 . 17045 1
820 . 1 1 68 68 LYS HG3 H 1 0.990 0.015 . 1 . . . . 68 K HG3 . 17045 1
821 . 1 1 68 68 LYS C C 13 176.821 0.5 . 1 . . . . 68 K C . 17045 1
822 . 1 1 68 68 LYS CA C 13 60.048 0.5 . 1 . . . . 68 K CA . 17045 1
823 . 1 1 68 68 LYS CB C 13 31.220 0.5 . 1 . . . . 68 K CB . 17045 1
824 . 1 1 68 68 LYS CD C 13 28.818 0.5 . 1 . . . . 68 K CD . 17045 1
825 . 1 1 68 68 LYS CE C 13 41.790 0.5 . 1 . . . . 68 K CE . 17045 1
826 . 1 1 68 68 LYS CG C 13 24.494 0.5 . 1 . . . . 68 K CG . 17045 1
827 . 1 1 68 68 LYS N N 15 122.875 0.12 . 1 . . . . 68 K N . 17045 1
828 . 1 1 69 69 LEU H H 1 7.905 0.015 . 1 . . . . 69 L H . 17045 1
829 . 1 1 69 69 LEU HA H 1 4.165 0.015 . 1 . . . . 69 L HA . 17045 1
830 . 1 1 69 69 LEU HB2 H 1 1.681 0.015 . 1 . . . . 69 L HB2 . 17045 1
831 . 1 1 69 69 LEU HB3 H 1 1.502 0.015 . 1 . . . . 69 L HB3 . 17045 1
832 . 1 1 69 69 LEU HD11 H 1 0.906 0.015 . 2 . . . . 69 L QD1 . 17045 1
833 . 1 1 69 69 LEU HD12 H 1 0.906 0.015 . 2 . . . . 69 L QD1 . 17045 1
834 . 1 1 69 69 LEU HD13 H 1 0.906 0.015 . 2 . . . . 69 L QD1 . 17045 1
835 . 1 1 69 69 LEU HD21 H 1 0.864 0.015 . 2 . . . . 69 L QD2 . 17045 1
836 . 1 1 69 69 LEU HD22 H 1 0.864 0.015 . 2 . . . . 69 L QD2 . 17045 1
837 . 1 1 69 69 LEU HD23 H 1 0.864 0.015 . 2 . . . . 69 L QD2 . 17045 1
838 . 1 1 69 69 LEU HG H 1 1.625 0.015 . 1 . . . . 69 L HG . 17045 1
839 . 1 1 69 69 LEU C C 13 178.078 0.5 . 1 . . . . 69 L C . 17045 1
840 . 1 1 69 69 LEU CA C 13 55.724 0.5 . 1 . . . . 69 L CA . 17045 1
841 . 1 1 69 69 LEU CB C 13 41.310 0.5 . 1 . . . . 69 L CB . 17045 1
842 . 1 1 69 69 LEU CD1 C 13 24.013 0.5 . 1 . . . . 69 L CD1 . 17045 1
843 . 1 1 69 69 LEU CD2 C 13 23.052 0.5 . 1 . . . . 69 L CD2 . 17045 1
844 . 1 1 69 69 LEU CG C 13 25.935 0.5 . 1 . . . . 69 L CG . 17045 1
845 . 1 1 69 69 LEU N N 15 114.264 0.12 . 1 . . . . 69 L N . 17045 1
846 . 1 1 70 70 SER H H 1 7.626 0.015 . 1 . . . . 70 S H . 17045 1
847 . 1 1 70 70 SER HA H 1 4.264 0.015 . 1 . . . . 70 S HA . 17045 1
848 . 1 1 70 70 SER HB2 H 1 4.035 0.015 . 1 . . . . 70 S QB . 17045 1
849 . 1 1 70 70 SER HB3 H 1 4.035 0.015 . 1 . . . . 70 S QB . 17045 1
850 . 1 1 70 70 SER C C 13 173.637 0.5 . 1 . . . . 70 S C . 17045 1
851 . 1 1 70 70 SER CA C 13 60.048 0.5 . 1 . . . . 70 S CA . 17045 1
852 . 1 1 70 70 SER CB C 13 63.411 0.5 . 1 . . . . 70 S CB . 17045 1
853 . 1 1 70 70 SER N N 15 114.427 0.12 . 1 . . . . 70 S N . 17045 1
854 . 1 1 71 71 VAL H H 1 7.527 0.015 . 1 . . . . 71 V H . 17045 1
855 . 1 1 71 71 VAL HA H 1 4.132 0.015 . 1 . . . . 71 V HA . 17045 1
856 . 1 1 71 71 VAL HB H 1 2.016 0.015 . 1 . . . . 71 V HB . 17045 1
857 . 1 1 71 71 VAL HG11 H 1 0.817 0.015 . 2 . . . . 71 V QG1 . 17045 1
858 . 1 1 71 71 VAL HG12 H 1 0.817 0.015 . 2 . . . . 71 V QG1 . 17045 1
859 . 1 1 71 71 VAL HG13 H 1 0.817 0.015 . 2 . . . . 71 V QG1 . 17045 1
860 . 1 1 71 71 VAL HG21 H 1 0.938 0.015 . 2 . . . . 71 V QG2 . 17045 1
861 . 1 1 71 71 VAL HG22 H 1 0.938 0.015 . 2 . . . . 71 V QG2 . 17045 1
862 . 1 1 71 71 VAL HG23 H 1 0.938 0.015 . 2 . . . . 71 V QG2 . 17045 1
863 . 1 1 71 71 VAL C C 13 175.182 0.5 . 1 . . . . 71 V C . 17045 1
864 . 1 1 71 71 VAL CA C 13 60.528 0.5 . 1 . . . . 71 V CA . 17045 1
865 . 1 1 71 71 VAL CB C 13 33.142 0.5 . 1 . . . . 71 V CB . 17045 1
866 . 1 1 71 71 VAL CG1 C 13 23.052 0.5 . 1 . . . . 71 V CG1 . 17045 1
867 . 1 1 71 71 VAL CG2 C 13 22.091 0.5 . 1 . . . . 71 V CG2 . 17045 1
868 . 1 1 71 71 VAL N N 15 124.679 0.12 . 1 . . . . 71 V N . 17045 1
869 . 1 1 72 72 THR H H 1 8.820 0.015 . 1 . . . . 72 T H . 17045 1
870 . 1 1 72 72 THR HA H 1 4.424 0.015 . 1 . . . . 72 T HA . 17045 1
871 . 1 1 72 72 THR HB H 1 4.226 0.015 . 1 . . . . 72 T HB . 17045 1
872 . 1 1 72 72 THR HG21 H 1 1.290 0.015 . 1 . . . . 72 T QG2 . 17045 1
873 . 1 1 72 72 THR HG22 H 1 1.290 0.015 . 1 . . . . 72 T QG2 . 17045 1
874 . 1 1 72 72 THR HG23 H 1 1.290 0.015 . 1 . . . . 72 T QG2 . 17045 1
875 . 1 1 72 72 THR C C 13 174.400 0.5 . 1 . . . . 72 T C . 17045 1
876 . 1 1 72 72 THR CA C 13 61.489 0.5 . 1 . . . . 72 T CA . 17045 1
877 . 1 1 72 72 THR CB C 13 69.657 0.5 . 1 . . . . 72 T CB . 17045 1
878 . 1 1 72 72 THR CG2 C 13 21.131 0.5 . 1 . . . . 72 T CG2 . 17045 1
879 . 1 1 72 72 THR N N 15 125.726 0.12 . 1 . . . . 72 T N . 17045 1
880 . 1 1 73 73 PRO HA H 1 3.746 0.015 . 1 . . . . 73 P HA . 17045 1
881 . 1 1 73 73 PRO HB2 H 1 2.324 0.015 . 1 . . . . 73 P QB . 17045 1
882 . 1 1 73 73 PRO HB3 H 1 2.324 0.015 . 1 . . . . 73 P QB . 17045 1
883 . 1 1 73 73 PRO HD2 H 1 3.829 0.015 . 1 . . . . 73 P QD . 17045 1
884 . 1 1 73 73 PRO HD3 H 1 3.829 0.015 . 1 . . . . 73 P QD . 17045 1
885 . 1 1 73 73 PRO HG2 H 1 2.022 0.015 . 1 . . . . 73 P QG . 17045 1
886 . 1 1 73 73 PRO HG3 H 1 2.022 0.015 . 1 . . . . 73 P QG . 17045 1
887 . 1 1 73 73 PRO C C 13 179.134 0.5 . 1 . . . . 73 P C . 17045 1
888 . 1 1 73 73 PRO CA C 13 67.254 0.5 . 1 . . . . 73 P CA . 17045 1
889 . 1 1 73 73 PRO CB C 13 32.181 0.5 . 1 . . . . 73 P CB . 17045 1
890 . 1 1 73 73 PRO CD C 13 50.919 0.5 . 1 . . . . 73 P CD . 17045 1
891 . 1 1 73 73 PRO CG C 13 27.376 0.5 . 1 . . . . 73 P CG . 17045 1
892 . 1 1 74 74 SER H H 1 8.222 0.015 . 1 . . . . 74 S H . 17045 1
893 . 1 1 74 74 SER HA H 1 4.143 0.015 . 1 . . . . 74 S HA . 17045 1
894 . 1 1 74 74 SER HB2 H 1 3.829 0.015 . 1 . . . . 74 S QB . 17045 1
895 . 1 1 74 74 SER HB3 H 1 3.829 0.015 . 1 . . . . 74 S QB . 17045 1
896 . 1 1 74 74 SER C C 13 174.922 0.5 . 1 . . . . 74 S C . 17045 1
897 . 1 1 74 74 SER CA C 13 60.528 0.5 . 1 . . . . 74 S CA . 17045 1
898 . 1 1 74 74 SER CB C 13 62.450 0.5 . 1 . . . . 74 S CB . 17045 1
899 . 1 1 74 74 SER N N 15 110.111 0.12 . 1 . . . . 74 S N . 17045 1
900 . 1 1 75 75 ASP H H 1 7.882 0.015 . 1 . . . . 75 D H . 17045 1
901 . 1 1 75 75 ASP HA H 1 4.751 0.015 . 1 . . . . 75 D HA . 17045 1
902 . 1 1 75 75 ASP HB2 H 1 2.660 0.015 . 1 . . . . 75 D HB2 . 17045 1
903 . 1 1 75 75 ASP HB3 H 1 2.542 0.015 . 1 . . . . 75 D HB3 . 17045 1
904 . 1 1 75 75 ASP C C 13 176.277 0.5 . 1 . . . . 75 D C . 17045 1
905 . 1 1 75 75 ASP CA C 13 53.802 0.5 . 1 . . . . 75 D CA . 17045 1
906 . 1 1 75 75 ASP CB C 13 41.790 0.5 . 1 . . . . 75 D CB . 17045 1
907 . 1 1 75 75 ASP N N 15 119.963 0.12 . 1 . . . . 75 D N . 17045 1
908 . 1 1 76 76 ARG H H 1 7.228 0.015 . 1 . . . . 76 R H . 17045 1
909 . 1 1 76 76 ARG HA H 1 3.805 0.015 . 1 . . . . 76 R HA . 17045 1
910 . 1 1 76 76 ARG HB2 H 1 2.010 0.015 . 1 . . . . 76 R HB2 . 17045 1
911 . 1 1 76 76 ARG HB3 H 1 1.741 0.015 . 1 . . . . 76 R HB3 . 17045 1
912 . 1 1 76 76 ARG HD2 H 1 3.162 0.015 . 1 . . . . 76 R QD . 17045 1
913 . 1 1 76 76 ARG HD3 H 1 3.162 0.015 . 1 . . . . 76 R QD . 17045 1
914 . 1 1 76 76 ARG HG2 H 1 1.314 0.015 . 1 . . . . 76 R QG . 17045 1
915 . 1 1 76 76 ARG HG3 H 1 1.314 0.015 . 1 . . . . 76 R QG . 17045 1
916 . 1 1 76 76 ARG C C 13 175.616 0.5 . 1 . . . . 76 R C . 17045 1
917 . 1 1 76 76 ARG CA C 13 58.606 0.5 . 1 . . . . 76 R CA . 17045 1
918 . 1 1 76 76 ARG CB C 13 30.740 0.5 . 1 . . . . 76 R CB . 17045 1
919 . 1 1 76 76 ARG CD C 13 44.673 0.5 . 1 . . . . 76 R CD . 17045 1
920 . 1 1 76 76 ARG CG C 13 28.818 0.5 . 1 . . . . 76 R CG . 17045 1
921 . 1 1 76 76 ARG N N 15 117.980 0.12 . 1 . . . . 76 R N . 17045 1
922 . 1 1 77 77 THR H H 1 6.207 0.015 . 1 . . . . 77 T H . 17045 1
923 . 1 1 77 77 THR HA H 1 4.566 0.015 . 1 . . . . 77 T HA . 17045 1
924 . 1 1 77 77 THR HB H 1 4.727 0.015 . 1 . . . . 77 T HB . 17045 1
925 . 1 1 77 77 THR HG21 H 1 1.317 0.015 . 1 . . . . 77 T QG2 . 17045 1
926 . 1 1 77 77 THR HG22 H 1 1.317 0.015 . 1 . . . . 77 T QG2 . 17045 1
927 . 1 1 77 77 THR HG23 H 1 1.317 0.015 . 1 . . . . 77 T QG2 . 17045 1
928 . 1 1 77 77 THR C C 13 174.585 0.5 . 1 . . . . 77 T C . 17045 1
929 . 1 1 77 77 THR CA C 13 58.606 0.5 . 1 . . . . 77 T CA . 17045 1
930 . 1 1 77 77 THR CB C 13 71.098 0.5 . 1 . . . . 77 T CB . 17045 1
931 . 1 1 77 77 THR CG2 C 13 23.052 0.5 . 1 . . . . 77 T CG2 . 17045 1
932 . 1 1 77 77 THR N N 15 110.237 0.12 . 1 . . . . 77 T N . 17045 1
933 . 1 1 78 78 ALA H H 1 8.921 0.015 . 1 . . . . 78 A H . 17045 1
934 . 1 1 78 78 ALA HA H 1 4.088 0.015 . 1 . . . . 78 A HA . 17045 1
935 . 1 1 78 78 ALA HB1 H 1 1.410 0.015 . 1 . . . . 78 A QB . 17045 1
936 . 1 1 78 78 ALA HB2 H 1 1.410 0.015 . 1 . . . . 78 A QB . 17045 1
937 . 1 1 78 78 ALA HB3 H 1 1.410 0.015 . 1 . . . . 78 A QB . 17045 1
938 . 1 1 78 78 ALA C C 13 180.641 0.5 . 1 . . . . 78 A C . 17045 1
939 . 1 1 78 78 ALA CA C 13 55.724 0.5 . 1 . . . . 78 A CA . 17045 1
940 . 1 1 78 78 ALA CB C 13 17.767 0.5 . 1 . . . . 78 A CB . 17045 1
941 . 1 1 78 78 ALA N N 15 123.795 0.12 . 1 . . . . 78 A N . 17045 1
942 . 1 1 79 79 GLU H H 1 8.335 0.015 . 1 . . . . 79 E H . 17045 1
943 . 1 1 79 79 GLU HA H 1 3.907 0.015 . 1 . . . . 79 E HA . 17045 1
944 . 1 1 79 79 GLU HB2 H 1 2.016 0.015 . 1 . . . . 79 E HB2 . 17045 1
945 . 1 1 79 79 GLU HB3 H 1 1.846 0.015 . 1 . . . . 79 E HB3 . 17045 1
946 . 1 1 79 79 GLU HG2 H 1 2.269 0.015 . 1 . . . . 79 E QG . 17045 1
947 . 1 1 79 79 GLU HG3 H 1 2.269 0.015 . 1 . . . . 79 E QG . 17045 1
948 . 1 1 79 79 GLU C C 13 179.614 0.5 . 1 . . . . 79 E C . 17045 1
949 . 1 1 79 79 GLU CA C 13 59.567 0.5 . 1 . . . . 79 E CA . 17045 1
950 . 1 1 79 79 GLU CB C 13 29.298 0.5 . 1 . . . . 79 E CB . 17045 1
951 . 1 1 79 79 GLU CG C 13 36.505 0.5 . 1 . . . . 79 E CG . 17045 1
952 . 1 1 79 79 GLU N N 15 116.620 0.12 . 1 . . . . 79 E N . 17045 1
953 . 1 1 80 80 LEU H H 1 7.369 0.015 . 1 . . . . 80 L H . 17045 1
954 . 1 1 80 80 LEU HA H 1 4.291 0.015 . 1 . . . . 80 L HA . 17045 1
955 . 1 1 80 80 LEU HB2 H 1 1.865 0.015 . 1 . . . . 80 L HB2 . 17045 1
956 . 1 1 80 80 LEU HB3 H 1 1.405 0.015 . 1 . . . . 80 L HB3 . 17045 1
957 . 1 1 80 80 LEU HD11 H 1 0.978 0.015 . 2 . . . . 80 L QQD . 17045 1
958 . 1 1 80 80 LEU HD12 H 1 0.978 0.015 . 2 . . . . 80 L QQD . 17045 1
959 . 1 1 80 80 LEU HD13 H 1 0.978 0.015 . 2 . . . . 80 L QQD . 17045 1
960 . 1 1 80 80 LEU HD21 H 1 0.978 0.015 . 2 . . . . 80 L QQD . 17045 1
961 . 1 1 80 80 LEU HD22 H 1 0.978 0.015 . 2 . . . . 80 L QQD . 17045 1
962 . 1 1 80 80 LEU HD23 H 1 0.978 0.015 . 2 . . . . 80 L QQD . 17045 1
963 . 1 1 80 80 LEU HG H 1 1.076 0.015 . 1 . . . . 80 L HG . 17045 1
964 . 1 1 80 80 LEU C C 13 176.593 0.5 . 1 . . . . 80 L C . 17045 1
965 . 1 1 80 80 LEU CA C 13 58.126 0.5 . 1 . . . . 80 L CA . 17045 1
966 . 1 1 80 80 LEU CB C 13 41.790 0.5 . 1 . . . . 80 L CB . 17045 1
967 . 1 1 80 80 LEU CD1 C 13 23.533 0.5 . 1 . . . . 80 L CD1 . 17045 1
968 . 1 1 80 80 LEU CD2 C 13 23.533 0.5 . 1 . . . . 80 L CD2 . 17045 1
969 . 1 1 80 80 LEU CG C 13 27.376 0.5 . 1 . . . . 80 L CG . 17045 1
970 . 1 1 80 80 LEU N N 15 121.424 0.12 . 1 . . . . 80 L N . 17045 1
971 . 1 1 81 81 ASN H H 1 8.187 0.015 . 1 . . . . 81 N H . 17045 1
972 . 1 1 81 81 ASN HA H 1 4.689 0.015 . 1 . . . . 81 N HA . 17045 1
973 . 1 1 81 81 ASN HB2 H 1 2.843 0.015 . 1 . . . . 81 N HB2 . 17045 1
974 . 1 1 81 81 ASN HB3 H 1 2.681 0.015 . 1 . . . . 81 N HB3 . 17045 1
975 . 1 1 81 81 ASN HD21 H 1 7.024 0.015 . 1 . . . . 81 N HD21 . 17045 1
976 . 1 1 81 81 ASN HD22 H 1 6.467 0.015 . 1 . . . . 81 N HD22 . 17045 1
977 . 1 1 81 81 ASN C C 13 176.080 0.5 . 1 . . . . 81 N C . 17045 1
978 . 1 1 81 81 ASN CA C 13 54.282 0.5 . 1 . . . . 81 N CA . 17045 1
979 . 1 1 81 81 ASN CB C 13 38.427 0.5 . 1 . . . . 81 N CB . 17045 1
980 . 1 1 81 81 ASN N N 15 113.083 0.12 . 1 . . . . 81 N N . 17045 1
981 . 1 1 81 81 ASN ND2 N 15 108.935 0.12 . 1 . . . . 81 N ND2 . 17045 1
982 . 1 1 82 82 SER H H 1 7.333 0.015 . 1 . . . . 82 S H . 17045 1
983 . 1 1 82 82 SER HA H 1 4.214 0.015 . 1 . . . . 82 S HA . 17045 1
984 . 1 1 82 82 SER HB2 H 1 3.783 0.015 . 1 . . . . 82 S QB . 17045 1
985 . 1 1 82 82 SER HB3 H 1 3.783 0.015 . 1 . . . . 82 S QB . 17045 1
986 . 1 1 82 82 SER C C 13 172.129 0.5 . 1 . . . . 82 S C . 17045 1
987 . 1 1 82 82 SER CA C 13 60.048 0.5 . 1 . . . . 82 S CA . 17045 1
988 . 1 1 82 82 SER CB C 13 63.411 0.5 . 1 . . . . 82 S CB . 17045 1
989 . 1 1 82 82 SER N N 15 115.154 0.12 . 1 . . . . 82 S N . 17045 1
990 . 1 1 83 83 TYR H H 1 7.579 0.015 . 1 . . . . 83 Y H . 17045 1
991 . 1 1 83 83 TYR HA H 1 4.611 0.015 . 1 . . . . 83 Y HA . 17045 1
992 . 1 1 83 83 TYR HB2 H 1 2.991 0.015 . 1 . . . . 83 Y HB2 . 17045 1
993 . 1 1 83 83 TYR HB3 H 1 2.581 0.015 . 1 . . . . 83 Y HB3 . 17045 1
994 . 1 1 83 83 TYR HD1 H 1 7.277 0.015 . 1 . . . . 83 Y QD . 17045 1
995 . 1 1 83 83 TYR HD2 H 1 7.277 0.015 . 1 . . . . 83 Y QD . 17045 1
996 . 1 1 83 83 TYR HE1 H 1 6.620 0.015 . 1 . . . . 83 Y QE . 17045 1
997 . 1 1 83 83 TYR HE2 H 1 6.620 0.015 . 1 . . . . 83 Y QE . 17045 1
998 . 1 1 83 83 TYR C C 13 175.100 0.5 . 1 . . . . 83 Y C . 17045 1
999 . 1 1 83 83 TYR CA C 13 55.724 0.5 . 1 . . . . 83 Y CA . 17045 1
1000 . 1 1 83 83 TYR CB C 13 40.829 0.5 . 1 . . . . 83 Y CB . 17045 1
1001 . 1 1 83 83 TYR N N 15 119.279 0.12 . 1 . . . . 83 Y N . 17045 1
1002 . 1 1 84 84 PRO HA H 1 4.922 0.015 . 1 . . . . 84 P HA . 17045 1
1003 . 1 1 84 84 PRO HB2 H 1 3.068 0.015 . 1 . . . . 84 P HB2 . 17045 1
1004 . 1 1 84 84 PRO HB3 H 1 1.981 0.015 . 1 . . . . 84 P HB3 . 17045 1
1005 . 1 1 84 84 PRO HD2 H 1 3.573 0.015 . 1 . . . . 84 P HD2 . 17045 1
1006 . 1 1 84 84 PRO HD3 H 1 3.444 0.015 . 1 . . . . 84 P HD3 . 17045 1
1007 . 1 1 84 84 PRO HG2 H 1 2.129 0.015 . 1 . . . . 84 P HG2 . 17045 1
1008 . 1 1 84 84 PRO HG3 H 1 1.749 0.015 . 1 . . . . 84 P HG3 . 17045 1
1009 . 1 1 84 84 PRO C C 13 175.984 0.5 . 1 . . . . 84 P C . 17045 1
1010 . 1 1 84 84 PRO CA C 13 61.969 0.5 . 1 . . . . 84 P CA . 17045 1
1011 . 1 1 84 84 PRO CB C 13 34.583 0.5 . 1 . . . . 84 P CB . 17045 1
1012 . 1 1 84 84 PRO CD C 13 50.438 0.5 . 1 . . . . 84 P CD . 17045 1
1013 . 1 1 84 84 PRO CG C 13 25.935 0.5 . 1 . . . . 84 P CG . 17045 1
1014 . 1 1 85 85 ARG H H 1 10.709 0.015 . 1 . . . . 85 R H . 17045 1
1015 . 1 1 85 85 ARG HA H 1 4.488 0.015 . 1 . . . . 85 R HA . 17045 1
1016 . 1 1 85 85 ARG HB2 H 1 2.280 0.015 . 1 . . . . 85 R HB2 . 17045 1
1017 . 1 1 85 85 ARG HB3 H 1 1.836 0.015 . 1 . . . . 85 R HB3 . 17045 1
1018 . 1 1 85 85 ARG HD2 H 1 3.228 0.015 . 1 . . . . 85 R QD . 17045 1
1019 . 1 1 85 85 ARG HD3 H 1 3.228 0.015 . 1 . . . . 85 R QD . 17045 1
1020 . 1 1 85 85 ARG HG2 H 1 1.890 0.015 . 1 . . . . 85 R HG2 . 17045 1
1021 . 1 1 85 85 ARG HG3 H 1 1.745 0.015 . 1 . . . . 85 R HG3 . 17045 1
1022 . 1 1 85 85 ARG C C 13 178.273 0.5 . 1 . . . . 85 R C . 17045 1
1023 . 1 1 85 85 ARG CA C 13 56.684 0.5 . 1 . . . . 85 R CA . 17045 1
1024 . 1 1 85 85 ARG CB C 13 29.779 0.5 . 1 . . . . 85 R CB . 17045 1
1025 . 1 1 85 85 ARG CD C 13 43.712 0.5 . 1 . . . . 85 R CD . 17045 1
1026 . 1 1 85 85 ARG CG C 13 28.337 0.5 . 1 . . . . 85 R CG . 17045 1
1027 . 1 1 85 85 ARG N N 15 123.378 0.12 . 1 . . . . 85 R N . 17045 1
1028 . 1 1 86 86 PHE H H 1 8.891 0.015 . 1 . . . . 86 F H . 17045 1
1029 . 1 1 86 86 PHE HA H 1 4.474 0.015 . 1 . . . . 86 F HA . 17045 1
1030 . 1 1 86 86 PHE HB2 H 1 3.385 0.015 . 1 . . . . 86 F HB2 . 17045 1
1031 . 1 1 86 86 PHE HB3 H 1 3.297 0.015 . 1 . . . . 86 F HB3 . 17045 1
1032 . 1 1 86 86 PHE HD1 H 1 7.250 0.015 . 1 . . . . 86 F QD . 17045 1
1033 . 1 1 86 86 PHE HD2 H 1 7.250 0.015 . 1 . . . . 86 F QD . 17045 1
1034 . 1 1 86 86 PHE HE1 H 1 7.101 0.015 . 1 . . . . 86 F QE . 17045 1
1035 . 1 1 86 86 PHE HE2 H 1 7.101 0.015 . 1 . . . . 86 F QE . 17045 1
1036 . 1 1 86 86 PHE HZ H 1 7.003 0.015 . 1 . . . . 86 F HZ . 17045 1
1037 . 1 1 86 86 PHE C C 13 177.674 0.5 . 1 . . . . 86 F C . 17045 1
1038 . 1 1 86 86 PHE CA C 13 59.087 0.5 . 1 . . . . 86 F CA . 17045 1
1039 . 1 1 86 86 PHE CB C 13 38.907 0.5 . 1 . . . . 86 F CB . 17045 1
1040 . 1 1 86 86 PHE N N 15 127.905 0.12 . 1 . . . . 86 F N . 17045 1
1041 . 1 1 87 87 SER H H 1 8.865 0.015 . 1 . . . . 87 S H . 17045 1
1042 . 1 1 87 87 SER HA H 1 3.864 0.015 . 1 . . . . 87 S HA . 17045 1
1043 . 1 1 87 87 SER HB2 H 1 3.905 0.015 . 1 . . . . 87 S QB . 17045 1
1044 . 1 1 87 87 SER HB3 H 1 3.905 0.015 . 1 . . . . 87 S QB . 17045 1
1045 . 1 1 87 87 SER C C 13 177.331 0.5 . 1 . . . . 87 S C . 17045 1
1046 . 1 1 87 87 SER CA C 13 61.969 0.5 . 1 . . . . 87 S CA . 17045 1
1047 . 1 1 87 87 SER CB C 13 60.528 0.5 . 1 . . . . 87 S CB . 17045 1
1048 . 1 1 87 87 SER N N 15 110.593 0.12 . 1 . . . . 87 S N . 17045 1
1049 . 1 1 88 88 ASP H H 1 6.743 0.015 . 1 . . . . 88 D H . 17045 1
1050 . 1 1 88 88 ASP HA H 1 4.545 0.015 . 1 . . . . 88 D HA . 17045 1
1051 . 1 1 88 88 ASP HB2 H 1 2.518 0.015 . 1 . . . . 88 D QB . 17045 1
1052 . 1 1 88 88 ASP HB3 H 1 2.518 0.015 . 1 . . . . 88 D QB . 17045 1
1053 . 1 1 88 88 ASP C C 13 176.986 0.5 . 1 . . . . 88 D C . 17045 1
1054 . 1 1 88 88 ASP CA C 13 57.645 0.5 . 1 . . . . 88 D CA . 17045 1
1055 . 1 1 88 88 ASP CB C 13 40.349 0.5 . 1 . . . . 88 D CB . 17045 1
1056 . 1 1 88 88 ASP N N 15 122.349 0.12 . 1 . . . . 88 D N . 17045 1
1057 . 1 1 89 89 TRP H H 1 8.062 0.015 . 1 . . . . 89 W H . 17045 1
1058 . 1 1 89 89 TRP HA H 1 4.106 0.015 . 1 . . . . 89 W HA . 17045 1
1059 . 1 1 89 89 TRP HB2 H 1 3.788 0.015 . 1 . . . . 89 W HB2 . 17045 1
1060 . 1 1 89 89 TRP HB3 H 1 3.180 0.015 . 1 . . . . 89 W HB3 . 17045 1
1061 . 1 1 89 89 TRP HD1 H 1 7.282 0.015 . 1 . . . . 89 W HD1 . 17045 1
1062 . 1 1 89 89 TRP HE1 H 1 9.950 0.015 . 1 . . . . 89 W HE1 . 17045 1
1063 . 1 1 89 89 TRP HE3 H 1 7.446 0.015 . 1 . . . . 89 W HE3 . 17045 1
1064 . 1 1 89 89 TRP HH2 H 1 6.790 0.015 . 1 . . . . 89 W HH2 . 17045 1
1065 . 1 1 89 89 TRP HZ2 H 1 6.963 0.015 . 1 . . . . 89 W HZ2 . 17045 1
1066 . 1 1 89 89 TRP HZ3 H 1 6.854 0.015 . 1 . . . . 89 W HZ3 . 17045 1
1067 . 1 1 89 89 TRP C C 13 177.122 0.5 . 1 . . . . 89 W C . 17045 1
1068 . 1 1 89 89 TRP CA C 13 62.930 0.5 . 1 . . . . 89 W CA . 17045 1
1069 . 1 1 89 89 TRP CB C 13 29.779 0.5 . 1 . . . . 89 W CB . 17045 1
1070 . 1 1 89 89 TRP N N 15 121.188 0.12 . 1 . . . . 89 W N . 17045 1
1071 . 1 1 89 89 TRP NE1 N 15 126.741 0.12 . 1 . . . . 89 W NE1 . 17045 1
1072 . 1 1 90 90 LEU H H 1 8.685 0.015 . 1 . . . . 90 L H . 17045 1
1073 . 1 1 90 90 LEU HA H 1 3.658 0.015 . 1 . . . . 90 L HA . 17045 1
1074 . 1 1 90 90 LEU HB2 H 1 1.760 0.015 . 1 . . . . 90 L HB2 . 17045 1
1075 . 1 1 90 90 LEU HB3 H 1 1.164 0.015 . 1 . . . . 90 L HB3 . 17045 1
1076 . 1 1 90 90 LEU HD11 H 1 0.359 0.015 . 2 . . . . 90 L QD1 . 17045 1
1077 . 1 1 90 90 LEU HD12 H 1 0.359 0.015 . 2 . . . . 90 L QD1 . 17045 1
1078 . 1 1 90 90 LEU HD13 H 1 0.359 0.015 . 2 . . . . 90 L QD1 . 17045 1
1079 . 1 1 90 90 LEU HD21 H 1 0.771 0.015 . 2 . . . . 90 L QD2 . 17045 1
1080 . 1 1 90 90 LEU HD22 H 1 0.771 0.015 . 2 . . . . 90 L QD2 . 17045 1
1081 . 1 1 90 90 LEU HD23 H 1 0.771 0.015 . 2 . . . . 90 L QD2 . 17045 1
1082 . 1 1 90 90 LEU HG H 1 1.760 0.015 . 1 . . . . 90 L HG . 17045 1
1083 . 1 1 90 90 LEU C C 13 178.842 0.5 . 1 . . . . 90 L C . 17045 1
1084 . 1 1 90 90 LEU CA C 13 57.645 0.5 . 1 . . . . 90 L CA . 17045 1
1085 . 1 1 90 90 LEU CB C 13 42.271 0.5 . 1 . . . . 90 L CB . 17045 1
1086 . 1 1 90 90 LEU CD1 C 13 25.455 0.5 . 1 . . . . 90 L CD1 . 17045 1
1087 . 1 1 90 90 LEU CD2 C 13 23.533 0.5 . 1 . . . . 90 L CD2 . 17045 1
1088 . 1 1 90 90 LEU CG C 13 26.896 0.5 . 1 . . . . 90 L CG . 17045 1
1089 . 1 1 90 90 LEU N N 15 115.380 0.12 . 1 . . . . 90 L N . 17045 1
1090 . 1 1 91 91 TYR H H 1 7.490 0.015 . 1 . . . . 91 Y H . 17045 1
1091 . 1 1 91 91 TYR HA H 1 4.247 0.015 . 1 . . . . 91 Y HA . 17045 1
1092 . 1 1 91 91 TYR HB2 H 1 3.270 0.015 . 1 . . . . 91 Y HB2 . 17045 1
1093 . 1 1 91 91 TYR HB3 H 1 2.982 0.015 . 1 . . . . 91 Y HB3 . 17045 1
1094 . 1 1 91 91 TYR HD1 H 1 7.002 0.015 . 1 . . . . 91 Y QD . 17045 1
1095 . 1 1 91 91 TYR HD2 H 1 7.002 0.015 . 1 . . . . 91 Y QD . 17045 1
1096 . 1 1 91 91 TYR HE1 H 1 6.621 0.015 . 1 . . . . 91 Y QE . 17045 1
1097 . 1 1 91 91 TYR HE2 H 1 6.621 0.015 . 1 . . . . 91 Y QE . 17045 1
1098 . 1 1 91 91 TYR C C 13 180.297 0.5 . 1 . . . . 91 Y C . 17045 1
1099 . 1 1 91 91 TYR CA C 13 62.450 0.5 . 1 . . . . 91 Y CA . 17045 1
1100 . 1 1 91 91 TYR CB C 13 38.427 0.5 . 1 . . . . 91 Y CB . 17045 1
1101 . 1 1 91 91 TYR N N 15 117.412 0.12 . 1 . . . . 91 Y N . 17045 1
1102 . 1 1 92 92 ILE H H 1 8.533 0.015 . 1 . . . . 92 I H . 17045 1
1103 . 1 1 92 92 ILE HA H 1 2.895 0.015 . 1 . . . . 92 I HA . 17045 1
1104 . 1 1 92 92 ILE HB H 1 1.356 0.015 . 1 . . . . 92 I HB . 17045 1
1105 . 1 1 92 92 ILE HD11 H 1 0.818 0.015 . 1 . . . . 92 I QD1 . 17045 1
1106 . 1 1 92 92 ILE HD12 H 1 0.818 0.015 . 1 . . . . 92 I QD1 . 17045 1
1107 . 1 1 92 92 ILE HD13 H 1 0.818 0.015 . 1 . . . . 92 I QD1 . 17045 1
1108 . 1 1 92 92 ILE HG12 H 1 1.971 0.015 . 1 . . . . 92 I HG12 . 17045 1
1109 . 1 1 92 92 ILE HG13 H 1 0.732 0.015 . 1 . . . . 92 I HG13 . 17045 1
1110 . 1 1 92 92 ILE HG21 H 1 -0.036 0.015 . 1 . . . . 92 I QG2 . 17045 1
1111 . 1 1 92 92 ILE HG22 H 1 -0.036 0.015 . 1 . . . . 92 I QG2 . 17045 1
1112 . 1 1 92 92 ILE HG23 H 1 -0.036 0.015 . 1 . . . . 92 I QG2 . 17045 1
1113 . 1 1 92 92 ILE C C 13 176.687 0.5 . 1 . . . . 92 I C . 17045 1
1114 . 1 1 92 92 ILE CA C 13 66.774 0.5 . 1 . . . . 92 I CA . 17045 1
1115 . 1 1 92 92 ILE CB C 13 37.466 0.5 . 1 . . . . 92 I CB . 17045 1
1116 . 1 1 92 92 ILE CD1 C 13 15.365 0.5 . 1 . . . . 92 I CD1 . 17045 1
1117 . 1 1 92 92 ILE CG1 C 13 29.298 0.5 . 1 . . . . 92 I CG1 . 17045 1
1118 . 1 1 92 92 ILE CG2 C 13 16.806 0.5 . 1 . . . . 92 I CG2 . 17045 1
1119 . 1 1 92 92 ILE N N 15 123.624 0.12 . 1 . . . . 92 I N . 17045 1
1120 . 1 1 93 93 PHE H H 1 6.894 0.015 . 1 . . . . 93 F H . 17045 1
1121 . 1 1 93 93 PHE HA H 1 3.995 0.015 . 1 . . . . 93 F HA . 17045 1
1122 . 1 1 93 93 PHE HB2 H 1 2.884 0.015 . 1 . . . . 93 F HB2 . 17045 1
1123 . 1 1 93 93 PHE HB3 H 1 1.875 0.015 . 1 . . . . 93 F HB3 . 17045 1
1124 . 1 1 93 93 PHE HD1 H 1 6.514 0.015 . 1 . . . . 93 F QD . 17045 1
1125 . 1 1 93 93 PHE HD2 H 1 6.514 0.015 . 1 . . . . 93 F QD . 17045 1
1126 . 1 1 93 93 PHE HE1 H 1 6.628 0.015 . 1 . . . . 93 F QE . 17045 1
1127 . 1 1 93 93 PHE HE2 H 1 6.628 0.015 . 1 . . . . 93 F QE . 17045 1
1128 . 1 1 93 93 PHE HZ H 1 7.005 0.015 . 1 . . . . 93 F HZ . 17045 1
1129 . 1 1 93 93 PHE C C 13 173.818 0.5 . 1 . . . . 93 F C . 17045 1
1130 . 1 1 93 93 PHE CA C 13 60.048 0.5 . 1 . . . . 93 F CA . 17045 1
1131 . 1 1 93 93 PHE CB C 13 37.466 0.5 . 1 . . . . 93 F CB . 17045 1
1132 . 1 1 93 93 PHE N N 15 113.137 0.12 . 1 . . . . 93 F N . 17045 1
1133 . 1 1 94 94 ASN H H 1 7.608 0.015 . 1 . . . . 94 N H . 17045 1
1134 . 1 1 94 94 ASN HA H 1 4.032 0.015 . 1 . . . . 94 N HA . 17045 1
1135 . 1 1 94 94 ASN HB2 H 1 3.164 0.015 . 1 . . . . 94 N HB2 . 17045 1
1136 . 1 1 94 94 ASN HB3 H 1 2.029 0.015 . 1 . . . . 94 N HB3 . 17045 1
1137 . 1 1 94 94 ASN HD21 H 1 7.344 0.015 . 1 . . . . 94 N HD21 . 17045 1
1138 . 1 1 94 94 ASN HD22 H 1 6.660 0.015 . 1 . . . . 94 N HD22 . 17045 1
1139 . 1 1 94 94 ASN C C 13 174.037 0.5 . 1 . . . . 94 N C . 17045 1
1140 . 1 1 94 94 ASN CA C 13 52.841 0.5 . 1 . . . . 94 N CA . 17045 1
1141 . 1 1 94 94 ASN CB C 13 36.986 0.5 . 1 . . . . 94 N CB . 17045 1
1142 . 1 1 94 94 ASN N N 15 117.721 0.12 . 1 . . . . 94 N N . 17045 1
1143 . 1 1 94 94 ASN ND2 N 15 109.556 0.12 . 1 . . . . 94 N ND2 . 17045 1
1144 . 1 1 95 95 VAL H H 1 7.715 0.015 . 1 . . . . 95 V H . 17045 1
1145 . 1 1 95 95 VAL HA H 1 3.776 0.015 . 1 . . . . 95 V HA . 17045 1
1146 . 1 1 95 95 VAL HB H 1 1.596 0.015 . 1 . . . . 95 V HB . 17045 1
1147 . 1 1 95 95 VAL HG11 H 1 0.868 0.015 . 2 . . . . 95 V QG1 . 17045 1
1148 . 1 1 95 95 VAL HG12 H 1 0.868 0.015 . 2 . . . . 95 V QG1 . 17045 1
1149 . 1 1 95 95 VAL HG13 H 1 0.868 0.015 . 2 . . . . 95 V QG1 . 17045 1
1150 . 1 1 95 95 VAL HG21 H 1 0.922 0.015 . 2 . . . . 95 V QG2 . 17045 1
1151 . 1 1 95 95 VAL HG22 H 1 0.922 0.015 . 2 . . . . 95 V QG2 . 17045 1
1152 . 1 1 95 95 VAL HG23 H 1 0.922 0.015 . 2 . . . . 95 V QG2 . 17045 1
1153 . 1 1 95 95 VAL C C 13 176.123 0.5 . 1 . . . . 95 V C . 17045 1
1154 . 1 1 95 95 VAL CA C 13 62.930 0.5 . 1 . . . . 95 V CA . 17045 1
1155 . 1 1 95 95 VAL CB C 13 31.220 0.5 . 1 . . . . 95 V CB . 17045 1
1156 . 1 1 95 95 VAL CG1 C 13 23.533 0.5 . 1 . . . . 95 V CG1 . 17045 1
1157 . 1 1 95 95 VAL CG2 C 13 21.611 0.5 . 1 . . . . 95 V CG2 . 17045 1
1158 . 1 1 95 95 VAL N N 15 119.605 0.12 . 1 . . . . 95 V N . 17045 1
1159 . 1 1 96 96 ARG H H 1 8.132 0.015 . 1 . . . . 96 R H . 17045 1
1160 . 1 1 96 96 ARG HA H 1 4.353 0.015 . 1 . . . . 96 R HA . 17045 1
1161 . 1 1 96 96 ARG HB2 H 1 2.157 0.015 . 1 . . . . 96 R HB2 . 17045 1
1162 . 1 1 96 96 ARG HB3 H 1 1.725 0.015 . 1 . . . . 96 R HB3 . 17045 1
1163 . 1 1 96 96 ARG HD2 H 1 3.322 0.015 . 1 . . . . 96 R QD . 17045 1
1164 . 1 1 96 96 ARG HD3 H 1 3.322 0.015 . 1 . . . . 96 R QD . 17045 1
1165 . 1 1 96 96 ARG HG2 H 1 1.878 0.015 . 1 . . . . 96 R QG . 17045 1
1166 . 1 1 96 96 ARG HG3 H 1 1.878 0.015 . 1 . . . . 96 R QG . 17045 1
1167 . 1 1 96 96 ARG C C 13 176.100 0.5 . 1 . . . . 96 R C . 17045 1
1168 . 1 1 96 96 ARG CA C 13 55.724 0.5 . 1 . . . . 96 R CA . 17045 1
1169 . 1 1 96 96 ARG CB C 13 29.298 0.5 . 1 . . . . 96 R CB . 17045 1
1170 . 1 1 96 96 ARG CD C 13 42.751 0.5 . 1 . . . . 96 R CD . 17045 1
1171 . 1 1 96 96 ARG CG C 13 28.337 0.5 . 1 . . . . 96 R CG . 17045 1
1172 . 1 1 96 96 ARG N N 15 127.727 0.12 . 1 . . . . 96 R N . 17045 1
1173 . 1 1 97 97 PRO HA H 1 4.148 0.015 . 1 . . . . 97 P HA . 17045 1
1174 . 1 1 97 97 PRO HB2 H 1 2.341 0.015 . 1 . . . . 97 P HB2 . 17045 1
1175 . 1 1 97 97 PRO HB3 H 1 1.938 0.015 . 1 . . . . 97 P HB3 . 17045 1
1176 . 1 1 97 97 PRO HD2 H 1 3.853 0.015 . 1 . . . . 97 P QD . 17045 1
1177 . 1 1 97 97 PRO HD3 H 1 3.853 0.015 . 1 . . . . 97 P QD . 17045 1
1178 . 1 1 97 97 PRO HG2 H 1 2.178 0.015 . 1 . . . . 97 P HG2 . 17045 1
1179 . 1 1 97 97 PRO HG3 H 1 2.092 0.015 . 1 . . . . 97 P HG3 . 17045 1
1180 . 1 1 97 97 PRO C C 13 178.368 0.5 . 1 . . . . 97 P C . 17045 1
1181 . 1 1 97 97 PRO CA C 13 65.813 0.5 . 1 . . . . 97 P CA . 17045 1
1182 . 1 1 97 97 PRO CB C 13 31.701 0.5 . 1 . . . . 97 P CB . 17045 1
1183 . 1 1 97 97 PRO CD C 13 50.919 0.5 . 1 . . . . 97 P CD . 17045 1
1184 . 1 1 97 97 PRO CG C 13 27.857 0.5 . 1 . . . . 97 P CG . 17045 1
1185 . 1 1 98 98 GLU H H 1 9.689 0.015 . 1 . . . . 98 E H . 17045 1
1186 . 1 1 98 98 GLU HA H 1 4.035 0.015 . 1 . . . . 98 E HA . 17045 1
1187 . 1 1 98 98 GLU HB2 H 1 1.950 0.015 . 1 . . . . 98 E QB . 17045 1
1188 . 1 1 98 98 GLU HB3 H 1 1.950 0.015 . 1 . . . . 98 E QB . 17045 1
1189 . 1 1 98 98 GLU HG2 H 1 2.319 0.015 . 1 . . . . 98 E QG . 17045 1
1190 . 1 1 98 98 GLU HG3 H 1 2.319 0.015 . 1 . . . . 98 E QG . 17045 1
1191 . 1 1 98 98 GLU C C 13 178.333 0.5 . 1 . . . . 98 E C . 17045 1
1192 . 1 1 98 98 GLU CA C 13 60.048 0.5 . 1 . . . . 98 E CA . 17045 1
1193 . 1 1 98 98 GLU CB C 13 28.337 0.5 . 1 . . . . 98 E CB . 17045 1
1194 . 1 1 98 98 GLU CG C 13 36.505 0.5 . 1 . . . . 98 E CG . 17045 1
1195 . 1 1 98 98 GLU N N 15 116.768 0.12 . 1 . . . . 98 E N . 17045 1
1196 . 1 1 99 99 VAL H H 1 7.370 0.015 . 1 . . . . 99 V H . 17045 1
1197 . 1 1 99 99 VAL HA H 1 4.031 0.015 . 1 . . . . 99 V HA . 17045 1
1198 . 1 1 99 99 VAL HB H 1 2.149 0.015 . 1 . . . . 99 V HB . 17045 1
1199 . 1 1 99 99 VAL HG11 H 1 0.893 0.015 . 2 . . . . 99 V QG1 . 17045 1
1200 . 1 1 99 99 VAL HG12 H 1 0.893 0.015 . 2 . . . . 99 V QG1 . 17045 1
1201 . 1 1 99 99 VAL HG13 H 1 0.893 0.015 . 2 . . . . 99 V QG1 . 17045 1
1202 . 1 1 99 99 VAL HG21 H 1 0.780 0.015 . 2 . . . . 99 V QG2 . 17045 1
1203 . 1 1 99 99 VAL HG22 H 1 0.780 0.015 . 2 . . . . 99 V QG2 . 17045 1
1204 . 1 1 99 99 VAL HG23 H 1 0.780 0.015 . 2 . . . . 99 V QG2 . 17045 1
1205 . 1 1 99 99 VAL C C 13 177.356 0.5 . 1 . . . . 99 V C . 17045 1
1206 . 1 1 99 99 VAL CA C 13 64.372 0.5 . 1 . . . . 99 V CA . 17045 1
1207 . 1 1 99 99 VAL CB C 13 31.701 0.5 . 1 . . . . 99 V CB . 17045 1
1208 . 1 1 99 99 VAL CG1 C 13 22.091 0.5 . 1 . . . . 99 V CG1 . 17045 1
1209 . 1 1 99 99 VAL CG2 C 13 20.170 0.5 . 1 . . . . 99 V CG2 . 17045 1
1210 . 1 1 99 99 VAL N N 15 120.781 0.12 . 1 . . . . 99 V N . 17045 1
1211 . 1 1 100 100 VAL H H 1 7.380 0.015 . 1 . . . . 100 V H . 17045 1
1212 . 1 1 100 100 VAL HA H 1 3.181 0.015 . 1 . . . . 100 V HA . 17045 1
1213 . 1 1 100 100 VAL HB H 1 2.029 0.015 . 1 . . . . 100 V HB . 17045 1
1214 . 1 1 100 100 VAL HG11 H 1 0.824 0.015 . 2 . . . . 100 V QG1 . 17045 1
1215 . 1 1 100 100 VAL HG12 H 1 0.824 0.015 . 2 . . . . 100 V QG1 . 17045 1
1216 . 1 1 100 100 VAL HG13 H 1 0.824 0.015 . 2 . . . . 100 V QG1 . 17045 1
1217 . 1 1 100 100 VAL HG21 H 1 0.769 0.015 . 2 . . . . 100 V QG2 . 17045 1
1218 . 1 1 100 100 VAL HG22 H 1 0.769 0.015 . 2 . . . . 100 V QG2 . 17045 1
1219 . 1 1 100 100 VAL HG23 H 1 0.769 0.015 . 2 . . . . 100 V QG2 . 17045 1
1220 . 1 1 100 100 VAL C C 13 178.667 0.5 . 1 . . . . 100 V C . 17045 1
1221 . 1 1 100 100 VAL CA C 13 66.294 0.5 . 1 . . . . 100 V CA . 17045 1
1222 . 1 1 100 100 VAL CB C 13 31.220 0.5 . 1 . . . . 100 V CB . 17045 1
1223 . 1 1 100 100 VAL CG1 C 13 23.052 0.5 . 1 . . . . 100 V CG1 . 17045 1
1224 . 1 1 100 100 VAL CG2 C 13 21.131 0.5 . 1 . . . . 100 V CG2 . 17045 1
1225 . 1 1 100 100 VAL N N 15 118.222 0.12 . 1 . . . . 100 V N . 17045 1
1226 . 1 1 101 101 GLN H H 1 7.793 0.015 . 1 . . . . 101 Q H . 17045 1
1227 . 1 1 101 101 GLN HA H 1 3.969 0.015 . 1 . . . . 101 Q HA . 17045 1
1228 . 1 1 101 101 GLN HB2 H 1 2.032 0.015 . 1 . . . . 101 Q QB . 17045 1
1229 . 1 1 101 101 GLN HB3 H 1 2.032 0.015 . 1 . . . . 101 Q QB . 17045 1
1230 . 1 1 101 101 GLN HE21 H 1 7.481 0.015 . 1 . . . . 101 Q HE21 . 17045 1
1231 . 1 1 101 101 GLN HE22 H 1 6.695 0.015 . 1 . . . . 101 Q HE22 . 17045 1
1232 . 1 1 101 101 GLN HG2 H 1 2.391 0.015 . 1 . . . . 101 Q QG . 17045 1
1233 . 1 1 101 101 GLN HG3 H 1 2.391 0.015 . 1 . . . . 101 Q QG . 17045 1
1234 . 1 1 101 101 GLN C C 13 176.498 0.5 . 1 . . . . 101 Q C . 17045 1
1235 . 1 1 101 101 GLN CA C 13 57.645 0.5 . 1 . . . . 101 Q CA . 17045 1
1236 . 1 1 101 101 GLN CB C 13 28.337 0.5 . 1 . . . . 101 Q CB . 17045 1
1237 . 1 1 101 101 GLN CG C 13 33.622 0.5 . 1 . . . . 101 Q CG . 17045 1
1238 . 1 1 101 101 GLN N N 15 114.759 0.12 . 1 . . . . 101 Q N . 17045 1
1239 . 1 1 101 101 GLN NE2 N 15 112.455 0.12 . 1 . . . . 101 Q NE2 . 17045 1
1240 . 1 1 102 102 GLU H H 1 7.278 0.015 . 1 . . . . 102 E H . 17045 1
1241 . 1 1 102 102 GLU HA H 1 4.116 0.015 . 1 . . . . 102 E HA . 17045 1
1242 . 1 1 102 102 GLU HB2 H 1 2.325 0.015 . 1 . . . . 102 E HB2 . 17045 1
1243 . 1 1 102 102 GLU HB3 H 1 2.078 0.015 . 1 . . . . 102 E HB3 . 17045 1
1244 . 1 1 102 102 GLU HG2 H 1 2.568 0.015 . 1 . . . . 102 E HG2 . 17045 1
1245 . 1 1 102 102 GLU HG3 H 1 2.375 0.015 . 1 . . . . 102 E HG3 . 17045 1
1246 . 1 1 102 102 GLU C C 13 176.038 0.5 . 1 . . . . 102 E C . 17045 1
1247 . 1 1 102 102 GLU CA C 13 55.724 0.5 . 1 . . . . 102 E CA . 17045 1
1248 . 1 1 102 102 GLU CB C 13 30.259 0.5 . 1 . . . . 102 E CB . 17045 1
1249 . 1 1 102 102 GLU CG C 13 35.544 0.5 . 1 . . . . 102 E CG . 17045 1
1250 . 1 1 102 102 GLU N N 15 117.022 0.12 . 1 . . . . 102 E N . 17045 1
1251 . 1 1 103 103 ILE H H 1 6.881 0.015 . 1 . . . . 103 I H . 17045 1
1252 . 1 1 103 103 ILE HA H 1 2.727 0.015 . 1 . . . . 103 I HA . 17045 1
1253 . 1 1 103 103 ILE HB H 1 1.349 0.015 . 1 . . . . 103 I HB . 17045 1
1254 . 1 1 103 103 ILE HD11 H 1 0.330 0.015 . 1 . . . . 103 I QD1 . 17045 1
1255 . 1 1 103 103 ILE HD12 H 1 0.330 0.015 . 1 . . . . 103 I QD1 . 17045 1
1256 . 1 1 103 103 ILE HD13 H 1 0.330 0.015 . 1 . . . . 103 I QD1 . 17045 1
1257 . 1 1 103 103 ILE HG12 H 1 1.306 0.015 . 1 . . . . 103 I HG12 . 17045 1
1258 . 1 1 103 103 ILE HG13 H 1 -0.634 0.015 . 1 . . . . 103 I HG13 . 17045 1
1259 . 1 1 103 103 ILE HG21 H 1 0.373 0.015 . 1 . . . . 103 I QG2 . 17045 1
1260 . 1 1 103 103 ILE HG22 H 1 0.373 0.015 . 1 . . . . 103 I QG2 . 17045 1
1261 . 1 1 103 103 ILE HG23 H 1 0.373 0.015 . 1 . . . . 103 I QG2 . 17045 1
1262 . 1 1 103 103 ILE C C 13 174.964 0.5 . 1 . . . . 103 I C . 17045 1
1263 . 1 1 103 103 ILE CA C 13 60.048 0.5 . 1 . . . . 103 I CA . 17045 1
1264 . 1 1 103 103 ILE CB C 13 37.466 0.5 . 1 . . . . 103 I CB . 17045 1
1265 . 1 1 103 103 ILE CD1 C 13 13.924 0.5 . 1 . . . . 103 I CD1 . 17045 1
1266 . 1 1 103 103 ILE CG1 C 13 25.935 0.5 . 1 . . . . 103 I CG1 . 17045 1
1267 . 1 1 103 103 ILE CG2 C 13 16.326 0.5 . 1 . . . . 103 I CG2 . 17045 1
1268 . 1 1 103 103 ILE N N 15 121.605 0.12 . 1 . . . . 103 I N . 17045 1
1269 . 1 1 104 104 PRO HA H 1 4.267 0.015 . 1 . . . . 104 P HA . 17045 1
1270 . 1 1 104 104 PRO HB2 H 1 2.414 0.015 . 1 . . . . 104 P HB2 . 17045 1
1271 . 1 1 104 104 PRO HB3 H 1 1.831 0.015 . 1 . . . . 104 P HB3 . 17045 1
1272 . 1 1 104 104 PRO HD2 H 1 3.807 0.015 . 1 . . . . 104 P HD2 . 17045 1
1273 . 1 1 104 104 PRO HD3 H 1 3.180 0.015 . 1 . . . . 104 P HD3 . 17045 1
1274 . 1 1 104 104 PRO HG2 H 1 2.154 0.015 . 1 . . . . 104 P HG2 . 17045 1
1275 . 1 1 104 104 PRO HG3 H 1 2.046 0.015 . 1 . . . . 104 P HG3 . 17045 1
1276 . 1 1 104 104 PRO C C 13 178.180 0.5 . 1 . . . . 104 P C . 17045 1
1277 . 1 1 104 104 PRO CA C 13 62.930 0.5 . 1 . . . . 104 P CA . 17045 1
1278 . 1 1 104 104 PRO CB C 13 32.181 0.5 . 1 . . . . 104 P CB . 17045 1
1279 . 1 1 104 104 PRO CD C 13 50.919 0.5 . 1 . . . . 104 P CD . 17045 1
1280 . 1 1 104 104 PRO CG C 13 27.857 0.5 . 1 . . . . 104 P CG . 17045 1
1281 . 1 1 105 105 GLN H H 1 8.671 0.015 . 1 . . . . 105 Q H . 17045 1
1282 . 1 1 105 105 GLN HA H 1 3.924 0.015 . 1 . . . . 105 Q HA . 17045 1
1283 . 1 1 105 105 GLN HB2 H 1 2.016 0.015 . 1 . . . . 105 Q QB . 17045 1
1284 . 1 1 105 105 GLN HB3 H 1 2.016 0.015 . 1 . . . . 105 Q QB . 17045 1
1285 . 1 1 105 105 GLN HE21 H 1 7.436 0.015 . 1 . . . . 105 Q HE21 . 17045 1
1286 . 1 1 105 105 GLN HE22 H 1 6.704 0.015 . 1 . . . . 105 Q HE22 . 17045 1
1287 . 1 1 105 105 GLN HG2 H 1 2.379 0.015 . 1 . . . . 105 Q QG . 17045 1
1288 . 1 1 105 105 GLN HG3 H 1 2.379 0.015 . 1 . . . . 105 Q QG . 17045 1
1289 . 1 1 105 105 GLN C C 13 176.850 0.5 . 1 . . . . 105 Q C . 17045 1
1290 . 1 1 105 105 GLN CA C 13 58.126 0.5 . 1 . . . . 105 Q CA . 17045 1
1291 . 1 1 105 105 GLN CB C 13 28.337 0.5 . 1 . . . . 105 Q CB . 17045 1
1292 . 1 1 105 105 GLN CG C 13 34.103 0.5 . 1 . . . . 105 Q CG . 17045 1
1293 . 1 1 105 105 GLN N N 15 123.348 0.12 . 1 . . . . 105 Q N . 17045 1
1294 . 1 1 105 105 GLN NE2 N 15 111.627 0.12 . 1 . . . . 105 Q NE2 . 17045 1
1295 . 1 1 106 106 GLU H H 1 8.857 0.015 . 1 . . . . 106 E H . 17045 1
1296 . 1 1 106 106 GLU HA H 1 4.137 0.015 . 1 . . . . 106 E HA . 17045 1
1297 . 1 1 106 106 GLU HB2 H 1 1.968 0.015 . 1 . . . . 106 E QB . 17045 1
1298 . 1 1 106 106 GLU HB3 H 1 1.968 0.015 . 1 . . . . 106 E QB . 17045 1
1299 . 1 1 106 106 GLU HG2 H 1 2.194 0.015 . 1 . . . . 106 E QG . 17045 1
1300 . 1 1 106 106 GLU HG3 H 1 2.194 0.015 . 1 . . . . 106 E QG . 17045 1
1301 . 1 1 106 106 GLU C C 13 176.769 0.5 . 1 . . . . 106 E C . 17045 1
1302 . 1 1 106 106 GLU CA C 13 57.165 0.5 . 1 . . . . 106 E CA . 17045 1
1303 . 1 1 106 106 GLU CB C 13 28.818 0.5 . 1 . . . . 106 E CB . 17045 1
1304 . 1 1 106 106 GLU CG C 13 36.025 0.5 . 1 . . . . 106 E CG . 17045 1
1305 . 1 1 106 106 GLU N N 15 115.169 0.12 . 1 . . . . 106 E N . 17045 1
1306 . 1 1 107 107 LEU H H 1 7.286 0.015 . 1 . . . . 107 L H . 17045 1
1307 . 1 1 107 107 LEU HA H 1 4.156 0.015 . 1 . . . . 107 L HA . 17045 1
1308 . 1 1 107 107 LEU HB2 H 1 1.637 0.015 . 1 . . . . 107 L HB2 . 17045 1
1309 . 1 1 107 107 LEU HB3 H 1 1.361 0.015 . 1 . . . . 107 L HB3 . 17045 1
1310 . 1 1 107 107 LEU HD11 H 1 0.986 0.015 . 2 . . . . 107 L QD1 . 17045 1
1311 . 1 1 107 107 LEU HD12 H 1 0.986 0.015 . 2 . . . . 107 L QD1 . 17045 1
1312 . 1 1 107 107 LEU HD13 H 1 0.986 0.015 . 2 . . . . 107 L QD1 . 17045 1
1313 . 1 1 107 107 LEU HD21 H 1 0.924 0.015 . 2 . . . . 107 L QD2 . 17045 1
1314 . 1 1 107 107 LEU HD22 H 1 0.924 0.015 . 2 . . . . 107 L QD2 . 17045 1
1315 . 1 1 107 107 LEU HD23 H 1 0.924 0.015 . 2 . . . . 107 L QD2 . 17045 1
1316 . 1 1 107 107 LEU HG H 1 1.637 0.015 . 1 . . . . 107 L HG . 17045 1
1317 . 1 1 107 107 LEU C C 13 175.472 0.5 . 1 . . . . 107 L C . 17045 1
1318 . 1 1 107 107 LEU CA C 13 55.724 0.5 . 1 . . . . 107 L CA . 17045 1
1319 . 1 1 107 107 LEU CB C 13 42.271 0.5 . 1 . . . . 107 L CB . 17045 1
1320 . 1 1 107 107 LEU CD1 C 13 26.416 0.5 . 1 . . . . 107 L CD1 . 17045 1
1321 . 1 1 107 107 LEU CD2 C 13 24.494 0.5 . 1 . . . . 107 L CD2 . 17045 1
1322 . 1 1 107 107 LEU CG C 13 27.376 0.5 . 1 . . . . 107 L CG . 17045 1
1323 . 1 1 107 107 LEU N N 15 123.212 0.12 . 1 . . . . 107 L N . 17045 1
1324 . 1 1 108 108 THR H H 1 6.969 0.015 . 1 . . . . 108 T H . 17045 1
1325 . 1 1 108 108 THR HA H 1 4.476 0.015 . 1 . . . . 108 T HA . 17045 1
1326 . 1 1 108 108 THR HB H 1 4.597 0.015 . 1 . . . . 108 T HB . 17045 1
1327 . 1 1 108 108 THR HG21 H 1 1.167 0.015 . 1 . . . . 108 T QG2 . 17045 1
1328 . 1 1 108 108 THR HG22 H 1 1.167 0.015 . 1 . . . . 108 T QG2 . 17045 1
1329 . 1 1 108 108 THR HG23 H 1 1.167 0.015 . 1 . . . . 108 T QG2 . 17045 1
1330 . 1 1 108 108 THR C C 13 174.232 0.5 . 1 . . . . 108 T C . 17045 1
1331 . 1 1 108 108 THR CA C 13 58.606 0.5 . 1 . . . . 108 T CA . 17045 1
1332 . 1 1 108 108 THR CB C 13 71.098 0.5 . 1 . . . . 108 T CB . 17045 1
1333 . 1 1 108 108 THR CG2 C 13 21.131 0.5 . 1 . . . . 108 T CG2 . 17045 1
1334 . 1 1 108 108 THR N N 15 113.951 0.12 . 1 . . . . 108 T N . 17045 1
1335 . 1 1 109 109 LEU H H 1 8.255 0.015 . 1 . . . . 109 L H . 17045 1
1336 . 1 1 109 109 LEU HA H 1 3.346 0.015 . 1 . . . . 109 L HA . 17045 1
1337 . 1 1 109 109 LEU HB2 H 1 1.401 0.015 . 1 . . . . 109 L HB2 . 17045 1
1338 . 1 1 109 109 LEU HB3 H 1 0.911 0.015 . 1 . . . . 109 L HB3 . 17045 1
1339 . 1 1 109 109 LEU HD11 H 1 0.117 0.015 . 2 . . . . 109 L QD1 . 17045 1
1340 . 1 1 109 109 LEU HD12 H 1 0.117 0.015 . 2 . . . . 109 L QD1 . 17045 1
1341 . 1 1 109 109 LEU HD13 H 1 0.117 0.015 . 2 . . . . 109 L QD1 . 17045 1
1342 . 1 1 109 109 LEU HD21 H 1 -0.115 0.015 . 2 . . . . 109 L QD2 . 17045 1
1343 . 1 1 109 109 LEU HD22 H 1 -0.115 0.015 . 2 . . . . 109 L QD2 . 17045 1
1344 . 1 1 109 109 LEU HD23 H 1 -0.115 0.015 . 2 . . . . 109 L QD2 . 17045 1
1345 . 1 1 109 109 LEU HG H 1 1.015 0.015 . 1 . . . . 109 L HG . 17045 1
1346 . 1 1 109 109 LEU C C 13 178.283 0.5 . 1 . . . . 109 L C . 17045 1
1347 . 1 1 109 109 LEU CA C 13 57.165 0.5 . 1 . . . . 109 L CA . 17045 1
1348 . 1 1 109 109 LEU CB C 13 40.829 0.5 . 1 . . . . 109 L CB . 17045 1
1349 . 1 1 109 109 LEU CD1 C 13 24.494 0.5 . 1 . . . . 109 L CD1 . 17045 1
1350 . 1 1 109 109 LEU CD2 C 13 22.091 0.5 . 1 . . . . 109 L CD2 . 17045 1
1351 . 1 1 109 109 LEU CG C 13 26.896 0.5 . 1 . . . . 109 L CG . 17045 1
1352 . 1 1 109 109 LEU N N 15 121.886 0.12 . 1 . . . . 109 L N . 17045 1
1353 . 1 1 110 110 ASP H H 1 8.141 0.015 . 1 . . . . 110 D H . 17045 1
1354 . 1 1 110 110 ASP HA H 1 4.122 0.015 . 1 . . . . 110 D HA . 17045 1
1355 . 1 1 110 110 ASP HB2 H 1 2.465 0.015 . 1 . . . . 110 D HB2 . 17045 1
1356 . 1 1 110 110 ASP HB3 H 1 2.431 0.015 . 1 . . . . 110 D HB3 . 17045 1
1357 . 1 1 110 110 ASP C C 13 177.738 0.5 . 1 . . . . 110 D C . 17045 1
1358 . 1 1 110 110 ASP CA C 13 57.645 0.5 . 1 . . . . 110 D CA . 17045 1
1359 . 1 1 110 110 ASP CB C 13 41.310 0.5 . 1 . . . . 110 D CB . 17045 1
1360 . 1 1 110 110 ASP N N 15 116.662 0.12 . 1 . . . . 110 D N . 17045 1
1361 . 1 1 111 111 ALA H H 1 7.625 0.015 . 1 . . . . 111 A H . 17045 1
1362 . 1 1 111 111 ALA HA H 1 3.991 0.015 . 1 . . . . 111 A HA . 17045 1
1363 . 1 1 111 111 ALA HB1 H 1 1.398 0.015 . 1 . . . . 111 A QB . 17045 1
1364 . 1 1 111 111 ALA HB2 H 1 1.398 0.015 . 1 . . . . 111 A QB . 17045 1
1365 . 1 1 111 111 ALA HB3 H 1 1.398 0.015 . 1 . . . . 111 A QB . 17045 1
1366 . 1 1 111 111 ALA C C 13 180.935 0.5 . 1 . . . . 111 A C . 17045 1
1367 . 1 1 111 111 ALA CA C 13 54.763 0.5 . 1 . . . . 111 A CA . 17045 1
1368 . 1 1 111 111 ALA CB C 13 18.728 0.5 . 1 . . . . 111 A CB . 17045 1
1369 . 1 1 111 111 ALA N N 15 120.649 0.12 . 1 . . . . 111 A N . 17045 1
1370 . 1 1 112 112 LEU H H 1 7.522 0.015 . 1 . . . . 112 L H . 17045 1
1371 . 1 1 112 112 LEU HA H 1 4.141 0.015 . 1 . . . . 112 L HA . 17045 1
1372 . 1 1 112 112 LEU HB2 H 1 1.727 0.015 . 1 . . . . 112 L HB2 . 17045 1
1373 . 1 1 112 112 LEU HB3 H 1 1.413 0.015 . 1 . . . . 112 L HB3 . 17045 1
1374 . 1 1 112 112 LEU HD11 H 1 0.995 0.015 . 2 . . . . 112 L QQD . 17045 1
1375 . 1 1 112 112 LEU HD12 H 1 0.995 0.015 . 2 . . . . 112 L QQD . 17045 1
1376 . 1 1 112 112 LEU HD13 H 1 0.995 0.015 . 2 . . . . 112 L QQD . 17045 1
1377 . 1 1 112 112 LEU HD21 H 1 0.995 0.015 . 2 . . . . 112 L QQD . 17045 1
1378 . 1 1 112 112 LEU HD22 H 1 0.995 0.015 . 2 . . . . 112 L QQD . 17045 1
1379 . 1 1 112 112 LEU HD23 H 1 0.995 0.015 . 2 . . . . 112 L QQD . 17045 1
1380 . 1 1 112 112 LEU HG H 1 0.946 0.015 . 1 . . . . 112 L HG . 17045 1
1381 . 1 1 112 112 LEU C C 13 178.784 0.5 . 1 . . . . 112 L C . 17045 1
1382 . 1 1 112 112 LEU CA C 13 57.645 0.5 . 1 . . . . 112 L CA . 17045 1
1383 . 1 1 112 112 LEU CB C 13 42.271 0.5 . 1 . . . . 112 L CB . 17045 1
1384 . 1 1 112 112 LEU CD1 C 13 23.533 0.5 . 1 . . . . 112 L CD1 . 17045 1
1385 . 1 1 112 112 LEU CD2 C 13 23.533 0.5 . 1 . . . . 112 L CD2 . 17045 1
1386 . 1 1 112 112 LEU CG C 13 25.935 0.5 . 1 . . . . 112 L CG . 17045 1
1387 . 1 1 112 112 LEU N N 15 119.518 0.12 . 1 . . . . 112 L N . 17045 1
1388 . 1 1 113 113 LEU H H 1 8.352 0.015 . 1 . . . . 113 L H . 17045 1
1389 . 1 1 113 113 LEU HA H 1 3.803 0.015 . 1 . . . . 113 L HA . 17045 1
1390 . 1 1 113 113 LEU HB2 H 1 1.844 0.015 . 1 . . . . 113 L HB2 . 17045 1
1391 . 1 1 113 113 LEU HB3 H 1 1.431 0.015 . 1 . . . . 113 L HB3 . 17045 1
1392 . 1 1 113 113 LEU HD11 H 1 0.660 0.015 . 2 . . . . 113 L QQD . 17045 1
1393 . 1 1 113 113 LEU HD12 H 1 0.660 0.015 . 2 . . . . 113 L QQD . 17045 1
1394 . 1 1 113 113 LEU HD13 H 1 0.660 0.015 . 2 . . . . 113 L QQD . 17045 1
1395 . 1 1 113 113 LEU HD21 H 1 0.660 0.015 . 2 . . . . 113 L QQD . 17045 1
1396 . 1 1 113 113 LEU HD22 H 1 0.660 0.015 . 2 . . . . 113 L QQD . 17045 1
1397 . 1 1 113 113 LEU HD23 H 1 0.660 0.015 . 2 . . . . 113 L QQD . 17045 1
1398 . 1 1 113 113 LEU HG H 1 1.513 0.015 . 1 . . . . 113 L HG . 17045 1
1399 . 1 1 113 113 LEU C C 13 178.180 0.5 . 1 . . . . 113 L C . 17045 1
1400 . 1 1 113 113 LEU CA C 13 57.645 0.5 . 1 . . . . 113 L CA . 17045 1
1401 . 1 1 113 113 LEU CB C 13 42.271 0.5 . 1 . . . . 113 L CB . 17045 1
1402 . 1 1 113 113 LEU CD1 C 13 25.455 0.5 . 1 . . . . 113 L CD1 . 17045 1
1403 . 1 1 113 113 LEU CD2 C 13 25.455 0.5 . 1 . . . . 113 L CD2 . 17045 1
1404 . 1 1 113 113 LEU CG C 13 26.416 0.5 . 1 . . . . 113 L CG . 17045 1
1405 . 1 1 113 113 LEU N N 15 119.065 0.12 . 1 . . . . 113 L N . 17045 1
1406 . 1 1 114 114 GLU H H 1 7.329 0.015 . 1 . . . . 114 E H . 17045 1
1407 . 1 1 114 114 GLU HA H 1 4.101 0.015 . 1 . . . . 114 E HA . 17045 1
1408 . 1 1 114 114 GLU HB2 H 1 2.035 0.015 . 1 . . . . 114 E HB2 . 17045 1
1409 . 1 1 114 114 GLU HB3 H 1 1.929 0.015 . 1 . . . . 114 E HB3 . 17045 1
1410 . 1 1 114 114 GLU HG2 H 1 2.282 0.015 . 1 . . . . 114 E QG . 17045 1
1411 . 1 1 114 114 GLU HG3 H 1 2.282 0.015 . 1 . . . . 114 E QG . 17045 1
1412 . 1 1 114 114 GLU C C 13 176.836 0.5 . 1 . . . . 114 E C . 17045 1
1413 . 1 1 114 114 GLU CA C 13 56.684 0.5 . 1 . . . . 114 E CA . 17045 1
1414 . 1 1 114 114 GLU CB C 13 30.259 0.5 . 1 . . . . 114 E CB . 17045 1
1415 . 1 1 114 114 GLU CG C 13 36.025 0.5 . 1 . . . . 114 E CG . 17045 1
1416 . 1 1 114 114 GLU N N 15 115.154 0.12 . 1 . . . . 114 E N . 17045 1
1417 . 1 1 115 115 MET H H 1 7.028 0.015 . 1 . . . . 115 M H . 17045 1
1418 . 1 1 115 115 MET HA H 1 4.142 0.015 . 1 . . . . 115 M HA . 17045 1
1419 . 1 1 115 115 MET HB2 H 1 2.148 0.015 . 1 . . . . 115 M HB2 . 17045 1
1420 . 1 1 115 115 MET HB3 H 1 1.918 0.015 . 1 . . . . 115 M HB3 . 17045 1
1421 . 1 1 115 115 MET HE1 H 1 1.976 0.015 . 1 . . . . 115 M QE . 17045 1
1422 . 1 1 115 115 MET HE2 H 1 1.976 0.015 . 1 . . . . 115 M QE . 17045 1
1423 . 1 1 115 115 MET HE3 H 1 1.976 0.015 . 1 . . . . 115 M QE . 17045 1
1424 . 1 1 115 115 MET HG2 H 1 2.844 0.015 . 1 . . . . 115 M HG2 . 17045 1
1425 . 1 1 115 115 MET HG3 H 1 2.646 0.015 . 1 . . . . 115 M HG3 . 17045 1
1426 . 1 1 115 115 MET C C 13 176.338 0.5 . 1 . . . . 115 M C . 17045 1
1427 . 1 1 115 115 MET CA C 13 56.204 0.5 . 1 . . . . 115 M CA . 17045 1
1428 . 1 1 115 115 MET CB C 13 34.103 0.5 . 1 . . . . 115 M CB . 17045 1
1429 . 1 1 115 115 MET CE C 13 16.806 0.5 . 1 . . . . 115 M CE . 17045 1
1430 . 1 1 115 115 MET CG C 13 32.181 0.5 . 1 . . . . 115 M CG . 17045 1
1431 . 1 1 115 115 MET N N 15 118.851 0.12 . 1 . . . . 115 M N . 17045 1
1432 . 1 1 116 116 ASP H H 1 8.451 0.015 . 1 . . . . 116 D H . 17045 1
1433 . 1 1 116 116 ASP HA H 1 4.420 0.015 . 1 . . . . 116 D HA . 17045 1
1434 . 1 1 116 116 ASP HB2 H 1 2.799 0.015 . 1 . . . . 116 D HB2 . 17045 1
1435 . 1 1 116 116 ASP HB3 H 1 2.569 0.015 . 1 . . . . 116 D HB3 . 17045 1
1436 . 1 1 116 116 ASP C C 13 176.629 0.5 . 1 . . . . 116 D C . 17045 1
1437 . 1 1 116 116 ASP CA C 13 54.282 0.5 . 1 . . . . 116 D CA . 17045 1
1438 . 1 1 116 116 ASP CB C 13 42.271 0.5 . 1 . . . . 116 D CB . 17045 1
1439 . 1 1 116 116 ASP N N 15 123.711 0.12 . 1 . . . . 116 D N . 17045 1
1440 . 1 1 117 117 GLU H H 1 8.741 0.015 . 1 . . . . 117 E H . 17045 1
1441 . 1 1 117 117 GLU HA H 1 3.866 0.015 . 1 . . . . 117 E HA . 17045 1
1442 . 1 1 117 117 GLU HB2 H 1 2.024 0.015 . 1 . . . . 117 E HB2 . 17045 1
1443 . 1 1 117 117 GLU HB3 H 1 1.954 0.015 . 1 . . . . 117 E HB3 . 17045 1
1444 . 1 1 117 117 GLU HG2 H 1 2.306 0.015 . 1 . . . . 117 E HG2 . 17045 1
1445 . 1 1 117 117 GLU HG3 H 1 2.191 0.015 . 1 . . . . 117 E HG3 . 17045 1
1446 . 1 1 117 117 GLU C C 13 178.510 0.5 . 1 . . . . 117 E C . 17045 1
1447 . 1 1 117 117 GLU CA C 13 61.009 0.5 . 1 . . . . 117 E CA . 17045 1
1448 . 1 1 117 117 GLU CB C 13 29.779 0.5 . 1 . . . . 117 E CB . 17045 1
1449 . 1 1 117 117 GLU CG C 13 36.505 0.5 . 1 . . . . 117 E CG . 17045 1
1450 . 1 1 117 117 GLU N N 15 123.274 0.12 . 1 . . . . 117 E N . 17045 1
1451 . 1 1 118 118 ALA H H 1 8.275 0.015 . 1 . . . . 118 A H . 17045 1
1452 . 1 1 118 118 ALA HA H 1 4.083 0.015 . 1 . . . . 118 A HA . 17045 1
1453 . 1 1 118 118 ALA HB1 H 1 1.404 0.015 . 1 . . . . 118 A QB . 17045 1
1454 . 1 1 118 118 ALA HB2 H 1 1.404 0.015 . 1 . . . . 118 A QB . 17045 1
1455 . 1 1 118 118 ALA HB3 H 1 1.404 0.015 . 1 . . . . 118 A QB . 17045 1
1456 . 1 1 118 118 ALA C C 13 180.864 0.5 . 1 . . . . 118 A C . 17045 1
1457 . 1 1 118 118 ALA CA C 13 55.243 0.5 . 1 . . . . 118 A CA . 17045 1
1458 . 1 1 118 118 ALA CB C 13 18.248 0.5 . 1 . . . . 118 A CB . 17045 1
1459 . 1 1 118 118 ALA N N 15 121.393 0.12 . 1 . . . . 118 A N . 17045 1
1460 . 1 1 119 119 LYS H H 1 7.710 0.015 . 1 . . . . 119 K H . 17045 1
1461 . 1 1 119 119 LYS HA H 1 4.007 0.015 . 1 . . . . 119 K HA . 17045 1
1462 . 1 1 119 119 LYS HB2 H 1 1.862 0.015 . 1 . . . . 119 K QB . 17045 1
1463 . 1 1 119 119 LYS HB3 H 1 1.862 0.015 . 1 . . . . 119 K QB . 17045 1
1464 . 1 1 119 119 LYS HD2 H 1 1.654 0.015 . 1 . . . . 119 K QD . 17045 1
1465 . 1 1 119 119 LYS HD3 H 1 1.654 0.015 . 1 . . . . 119 K QD . 17045 1
1466 . 1 1 119 119 LYS HE2 H 1 2.937 0.015 . 1 . . . . 119 K QE . 17045 1
1467 . 1 1 119 119 LYS HE3 H 1 2.937 0.015 . 1 . . . . 119 K QE . 17045 1
1468 . 1 1 119 119 LYS HG2 H 1 1.533 0.015 . 1 . . . . 119 K QG . 17045 1
1469 . 1 1 119 119 LYS HG3 H 1 1.533 0.015 . 1 . . . . 119 K QG . 17045 1
1470 . 1 1 119 119 LYS C C 13 178.936 0.5 . 1 . . . . 119 K C . 17045 1
1471 . 1 1 119 119 LYS CA C 13 58.126 0.5 . 1 . . . . 119 K CA . 17045 1
1472 . 1 1 119 119 LYS CB C 13 32.181 0.5 . 1 . . . . 119 K CB . 17045 1
1473 . 1 1 119 119 LYS CD C 13 28.818 0.5 . 1 . . . . 119 K CD . 17045 1
1474 . 1 1 119 119 LYS CE C 13 41.790 0.5 . 1 . . . . 119 K CE . 17045 1
1475 . 1 1 119 119 LYS CG C 13 24.974 0.5 . 1 . . . . 119 K CG . 17045 1
1476 . 1 1 119 119 LYS N N 15 120.814 0.12 . 1 . . . . 119 K N . 17045 1
1477 . 1 1 120 120 ALA H H 1 8.422 0.015 . 1 . . . . 120 A H . 17045 1
1478 . 1 1 120 120 ALA HA H 1 3.910 0.015 . 1 . . . . 120 A HA . 17045 1
1479 . 1 1 120 120 ALA HB1 H 1 1.253 0.015 . 1 . . . . 120 A QB . 17045 1
1480 . 1 1 120 120 ALA HB2 H 1 1.253 0.015 . 1 . . . . 120 A QB . 17045 1
1481 . 1 1 120 120 ALA HB3 H 1 1.253 0.015 . 1 . . . . 120 A QB . 17045 1
1482 . 1 1 120 120 ALA C C 13 178.824 0.5 . 1 . . . . 120 A C . 17045 1
1483 . 1 1 120 120 ALA CA C 13 55.724 0.5 . 1 . . . . 120 A CA . 17045 1
1484 . 1 1 120 120 ALA CB C 13 17.767 0.5 . 1 . . . . 120 A CB . 17045 1
1485 . 1 1 120 120 ALA N N 15 122.186 0.12 . 1 . . . . 120 A N . 17045 1
1486 . 1 1 121 121 LYS H H 1 7.730 0.015 . 1 . . . . 121 K H . 17045 1
1487 . 1 1 121 121 LYS HA H 1 3.652 0.015 . 1 . . . . 121 K HA . 17045 1
1488 . 1 1 121 121 LYS HB2 H 1 1.821 0.015 . 1 . . . . 121 K QB . 17045 1
1489 . 1 1 121 121 LYS HB3 H 1 1.821 0.015 . 1 . . . . 121 K QB . 17045 1
1490 . 1 1 121 121 LYS HD2 H 1 1.638 0.015 . 1 . . . . 121 K QD . 17045 1
1491 . 1 1 121 121 LYS HD3 H 1 1.638 0.015 . 1 . . . . 121 K QD . 17045 1
1492 . 1 1 121 121 LYS HE2 H 1 2.869 0.015 . 1 . . . . 121 K QE . 17045 1
1493 . 1 1 121 121 LYS HE3 H 1 2.869 0.015 . 1 . . . . 121 K QE . 17045 1
1494 . 1 1 121 121 LYS HG2 H 1 1.385 0.015 . 1 . . . . 121 K QG . 17045 1
1495 . 1 1 121 121 LYS HG3 H 1 1.385 0.015 . 1 . . . . 121 K QG . 17045 1
1496 . 1 1 121 121 LYS C C 13 177.812 0.5 . 1 . . . . 121 K C . 17045 1
1497 . 1 1 121 121 LYS CA C 13 60.528 0.5 . 1 . . . . 121 K CA . 17045 1
1498 . 1 1 121 121 LYS CB C 13 32.181 0.5 . 1 . . . . 121 K CB . 17045 1
1499 . 1 1 121 121 LYS CD C 13 29.298 0.5 . 1 . . . . 121 K CD . 17045 1
1500 . 1 1 121 121 LYS CE C 13 41.790 0.5 . 1 . . . . 121 K CE . 17045 1
1501 . 1 1 121 121 LYS CG C 13 24.974 0.5 . 1 . . . . 121 K CG . 17045 1
1502 . 1 1 121 121 LYS N N 15 116.925 0.12 . 1 . . . . 121 K N . 17045 1
1503 . 1 1 122 122 GLU H H 1 7.315 0.015 . 1 . . . . 122 E H . 17045 1
1504 . 1 1 122 122 GLU HA H 1 3.878 0.015 . 1 . . . . 122 E HA . 17045 1
1505 . 1 1 122 122 GLU HB2 H 1 2.003 0.015 . 1 . . . . 122 E QB . 17045 1
1506 . 1 1 122 122 GLU HB3 H 1 2.003 0.015 . 1 . . . . 122 E QB . 17045 1
1507 . 1 1 122 122 GLU HG2 H 1 2.266 0.015 . 1 . . . . 122 E HG2 . 17045 1
1508 . 1 1 122 122 GLU HG3 H 1 2.144 0.015 . 1 . . . . 122 E HG3 . 17045 1
1509 . 1 1 122 122 GLU C C 13 178.996 0.5 . 1 . . . . 122 E C . 17045 1
1510 . 1 1 122 122 GLU CA C 13 58.606 0.5 . 1 . . . . 122 E CA . 17045 1
1511 . 1 1 122 122 GLU CB C 13 29.298 0.5 . 1 . . . . 122 E CB . 17045 1
1512 . 1 1 122 122 GLU CG C 13 36.025 0.5 . 1 . . . . 122 E CG . 17045 1
1513 . 1 1 122 122 GLU N N 15 117.425 0.12 . 1 . . . . 122 E N . 17045 1
1514 . 1 1 123 123 MET H H 1 7.760 0.015 . 1 . . . . 123 M H . 17045 1
1515 . 1 1 123 123 MET HA H 1 3.534 0.015 . 1 . . . . 123 M HA . 17045 1
1516 . 1 1 123 123 MET HB2 H 1 1.638 0.015 . 1 . . . . 123 M HB2 . 17045 1
1517 . 1 1 123 123 MET HB3 H 1 1.129 0.015 . 1 . . . . 123 M HB3 . 17045 1
1518 . 1 1 123 123 MET HE1 H 1 1.963 0.015 . 1 . . . . 123 M QE . 17045 1
1519 . 1 1 123 123 MET HE2 H 1 1.963 0.015 . 1 . . . . 123 M QE . 17045 1
1520 . 1 1 123 123 MET HE3 H 1 1.963 0.015 . 1 . . . . 123 M QE . 17045 1
1521 . 1 1 123 123 MET HG2 H 1 2.197 0.015 . 1 . . . . 123 M HG2 . 17045 1
1522 . 1 1 123 123 MET HG3 H 1 2.024 0.015 . 1 . . . . 123 M HG3 . 17045 1
1523 . 1 1 123 123 MET C C 13 176.096 0.5 . 1 . . . . 123 M C . 17045 1
1524 . 1 1 123 123 MET CA C 13 58.126 0.5 . 1 . . . . 123 M CA . 17045 1
1525 . 1 1 123 123 MET CB C 13 30.740 0.5 . 1 . . . . 123 M CB . 17045 1
1526 . 1 1 123 123 MET CE C 13 17.287 0.5 . 1 . . . . 123 M CE . 17045 1
1527 . 1 1 123 123 MET CG C 13 31.701 0.5 . 1 . . . . 123 M CG . 17045 1
1528 . 1 1 123 123 MET N N 15 119.569 0.12 . 1 . . . . 123 M N . 17045 1
1529 . 1 1 124 124 LEU H H 1 7.846 0.015 . 1 . . . . 124 L H . 17045 1
1530 . 1 1 124 124 LEU HA H 1 3.553 0.015 . 1 . . . . 124 L HA . 17045 1
1531 . 1 1 124 124 LEU HB2 H 1 1.916 0.015 . 1 . . . . 124 L HB2 . 17045 1
1532 . 1 1 124 124 LEU HB3 H 1 1.220 0.015 . 1 . . . . 124 L HB3 . 17045 1
1533 . 1 1 124 124 LEU HD11 H 1 0.789 0.015 . 2 . . . . 124 L QD1 . 17045 1
1534 . 1 1 124 124 LEU HD12 H 1 0.789 0.015 . 2 . . . . 124 L QD1 . 17045 1
1535 . 1 1 124 124 LEU HD13 H 1 0.789 0.015 . 2 . . . . 124 L QD1 . 17045 1
1536 . 1 1 124 124 LEU HD21 H 1 0.901 0.015 . 2 . . . . 124 L QD2 . 17045 1
1537 . 1 1 124 124 LEU HD22 H 1 0.901 0.015 . 2 . . . . 124 L QD2 . 17045 1
1538 . 1 1 124 124 LEU HD23 H 1 0.901 0.015 . 2 . . . . 124 L QD2 . 17045 1
1539 . 1 1 124 124 LEU HG H 1 1.753 0.015 . 1 . . . . 124 L HG . 17045 1
1540 . 1 1 124 124 LEU C C 13 179.387 0.5 . 1 . . . . 124 L C . 17045 1
1541 . 1 1 124 124 LEU CA C 13 58.126 0.5 . 1 . . . . 124 L CA . 17045 1
1542 . 1 1 124 124 LEU CB C 13 41.790 0.5 . 1 . . . . 124 L CB . 17045 1
1543 . 1 1 124 124 LEU CD1 C 13 25.935 0.5 . 1 . . . . 124 L CD1 . 17045 1
1544 . 1 1 124 124 LEU CD2 C 13 23.533 0.5 . 1 . . . . 124 L CD2 . 17045 1
1545 . 1 1 124 124 LEU CG C 13 27.376 0.5 . 1 . . . . 124 L CG . 17045 1
1546 . 1 1 124 124 LEU N N 15 116.935 0.12 . 1 . . . . 124 L N . 17045 1
1547 . 1 1 125 125 ARG H H 1 7.843 0.015 . 1 . . . . 125 R H . 17045 1
1548 . 1 1 125 125 ARG HA H 1 4.062 0.015 . 1 . . . . 125 R HA . 17045 1
1549 . 1 1 125 125 ARG HB2 H 1 1.846 0.015 . 1 . . . . 125 R QB . 17045 1
1550 . 1 1 125 125 ARG HB3 H 1 1.846 0.015 . 1 . . . . 125 R QB . 17045 1
1551 . 1 1 125 125 ARG HD2 H 1 3.178 0.015 . 1 . . . . 125 R QD . 17045 1
1552 . 1 1 125 125 ARG HD3 H 1 3.178 0.015 . 1 . . . . 125 R QD . 17045 1
1553 . 1 1 125 125 ARG HG2 H 1 1.740 0.015 . 1 . . . . 125 R HG2 . 17045 1
1554 . 1 1 125 125 ARG HG3 H 1 1.587 0.015 . 1 . . . . 125 R HG3 . 17045 1
1555 . 1 1 125 125 ARG C C 13 181.128 0.5 . 1 . . . . 125 R C . 17045 1
1556 . 1 1 125 125 ARG CA C 13 58.606 0.5 . 1 . . . . 125 R CA . 17045 1
1557 . 1 1 125 125 ARG CB C 13 29.298 0.5 . 1 . . . . 125 R CB . 17045 1
1558 . 1 1 125 125 ARG CD C 13 42.751 0.5 . 1 . . . . 125 R CD . 17045 1
1559 . 1 1 125 125 ARG CG C 13 27.376 0.5 . 1 . . . . 125 R CG . 17045 1
1560 . 1 1 125 125 ARG N N 15 116.775 0.12 . 1 . . . . 125 R N . 17045 1
1561 . 1 1 126 126 ARG H H 1 7.917 0.015 . 1 . . . . 126 R H . 17045 1
1562 . 1 1 126 126 ARG HA H 1 3.975 0.015 . 1 . . . . 126 R HA . 17045 1
1563 . 1 1 126 126 ARG HB2 H 1 1.862 0.015 . 1 . . . . 126 R QB . 17045 1
1564 . 1 1 126 126 ARG HB3 H 1 1.862 0.015 . 1 . . . . 126 R QB . 17045 1
1565 . 1 1 126 126 ARG HD2 H 1 3.128 0.015 . 1 . . . . 126 R QD . 17045 1
1566 . 1 1 126 126 ARG HD3 H 1 3.128 0.015 . 1 . . . . 126 R QD . 17045 1
1567 . 1 1 126 126 ARG HG2 H 1 1.595 0.015 . 1 . . . . 126 R QG . 17045 1
1568 . 1 1 126 126 ARG HG3 H 1 1.595 0.015 . 1 . . . . 126 R QG . 17045 1
1569 . 1 1 126 126 ARG C C 13 179.083 0.5 . 1 . . . . 126 R C . 17045 1
1570 . 1 1 126 126 ARG CA C 13 59.087 0.5 . 1 . . . . 126 R CA . 17045 1
1571 . 1 1 126 126 ARG CB C 13 29.298 0.5 . 1 . . . . 126 R CB . 17045 1
1572 . 1 1 126 126 ARG CD C 13 43.712 0.5 . 1 . . . . 126 R CD . 17045 1
1573 . 1 1 126 126 ARG CG C 13 27.376 0.5 . 1 . . . . 126 R CG . 17045 1
1574 . 1 1 126 126 ARG N N 15 123.580 0.12 . 1 . . . . 126 R N . 17045 1
1575 . 1 1 127 127 TRP H H 1 7.866 0.015 . 1 . . . . 127 W H . 17045 1
1576 . 1 1 127 127 TRP HA H 1 4.731 0.015 . 1 . . . . 127 W HA . 17045 1
1577 . 1 1 127 127 TRP HB2 H 1 3.438 0.015 . 1 . . . . 127 W HB2 . 17045 1
1578 . 1 1 127 127 TRP HB3 H 1 3.295 0.015 . 1 . . . . 127 W HB3 . 17045 1
1579 . 1 1 127 127 TRP HD1 H 1 7.181 0.015 . 1 . . . . 127 W HD1 . 17045 1
1580 . 1 1 127 127 TRP HE1 H 1 9.412 0.015 . 1 . . . . 127 W HE1 . 17045 1
1581 . 1 1 127 127 TRP HE3 H 1 6.735 0.015 . 1 . . . . 127 W HE3 . 17045 1
1582 . 1 1 127 127 TRP HH2 H 1 7.285 0.015 . 1 . . . . 127 W HH2 . 17045 1
1583 . 1 1 127 127 TRP HZ3 H 1 6.920 0.015 . 1 . . . . 127 W HZ3 . 17045 1
1584 . 1 1 127 127 TRP C C 13 175.124 0.5 . 1 . . . . 127 W C . 17045 1
1585 . 1 1 127 127 TRP CA C 13 55.724 0.5 . 1 . . . . 127 W CA . 17045 1
1586 . 1 1 127 127 TRP CB C 13 28.818 0.5 . 1 . . . . 127 W CB . 17045 1
1587 . 1 1 127 127 TRP N N 15 119.680 0.12 . 1 . . . . 127 W N . 17045 1
1588 . 1 1 127 127 TRP NE1 N 15 126.741 0.12 . 1 . . . . 127 W NE1 . 17045 1
1589 . 1 1 128 128 GLY H H 1 7.678 0.015 . 1 . . . . 128 G H . 17045 1
1590 . 1 1 128 128 GLY HA2 H 1 4.344 0.015 . 1 . . . . 128 G HA2 . 17045 1
1591 . 1 1 128 128 GLY HA3 H 1 3.656 0.015 . 1 . . . . 128 G HA3 . 17045 1
1592 . 1 1 128 128 GLY C C 13 175.190 0.5 . 1 . . . . 128 G C . 17045 1
1593 . 1 1 128 128 GLY CA C 13 44.673 0.5 . 1 . . . . 128 G CA . 17045 1
1594 . 1 1 128 128 GLY N N 15 102.965 0.12 . 1 . . . . 128 G N . 17045 1
1595 . 1 1 129 129 ALA H H 1 8.008 0.015 . 1 . . . . 129 A H . 17045 1
1596 . 1 1 129 129 ALA HA H 1 4.466 0.015 . 1 . . . . 129 A HA . 17045 1
1597 . 1 1 129 129 ALA HB1 H 1 1.232 0.015 . 1 . . . . 129 A QB . 17045 1
1598 . 1 1 129 129 ALA HB2 H 1 1.232 0.015 . 1 . . . . 129 A QB . 17045 1
1599 . 1 1 129 129 ALA HB3 H 1 1.232 0.015 . 1 . . . . 129 A QB . 17045 1
1600 . 1 1 129 129 ALA C C 13 177.719 0.5 . 1 . . . . 129 A C . 17045 1
1601 . 1 1 129 129 ALA CA C 13 52.360 0.5 . 1 . . . . 129 A CA . 17045 1
1602 . 1 1 129 129 ALA CB C 13 18.728 0.5 . 1 . . . . 129 A CB . 17045 1
1603 . 1 1 129 129 ALA N N 15 123.803 0.12 . 1 . . . . 129 A N . 17045 1
1604 . 1 1 130 130 SER H H 1 9.517 0.015 . 1 . . . . 130 S H . 17045 1
1605 . 1 1 130 130 SER HA H 1 4.551 0.015 . 1 . . . . 130 S HA . 17045 1
1606 . 1 1 130 130 SER HB2 H 1 4.022 0.015 . 1 . . . . 130 S QB . 17045 1
1607 . 1 1 130 130 SER HB3 H 1 4.022 0.015 . 1 . . . . 130 S QB . 17045 1
1608 . 1 1 130 130 SER C C 13 175.736 0.5 . 1 . . . . 130 S C . 17045 1
1609 . 1 1 130 130 SER CA C 13 56.684 0.5 . 1 . . . . 130 S CA . 17045 1
1610 . 1 1 130 130 SER CB C 13 65.813 0.5 . 1 . . . . 130 S CB . 17045 1
1611 . 1 1 130 130 SER N N 15 120.247 0.12 . 1 . . . . 130 S N . 17045 1
1612 . 1 1 131 131 THR H H 1 9.064 0.015 . 1 . . . . 131 T H . 17045 1
1613 . 1 1 131 131 THR HA H 1 3.831 0.015 . 1 . . . . 131 T HA . 17045 1
1614 . 1 1 131 131 THR HB H 1 4.139 0.015 . 1 . . . . 131 T HB . 17045 1
1615 . 1 1 131 131 THR HG21 H 1 1.233 0.015 . 1 . . . . 131 T QG2 . 17045 1
1616 . 1 1 131 131 THR HG22 H 1 1.233 0.015 . 1 . . . . 131 T QG2 . 17045 1
1617 . 1 1 131 131 THR HG23 H 1 1.233 0.015 . 1 . . . . 131 T QG2 . 17045 1
1618 . 1 1 131 131 THR C C 13 177.159 0.5 . 1 . . . . 131 T C . 17045 1
1619 . 1 1 131 131 THR CA C 13 66.774 0.5 . 1 . . . . 131 T CA . 17045 1
1620 . 1 1 131 131 THR CB C 13 68.215 0.5 . 1 . . . . 131 T CB . 17045 1
1621 . 1 1 131 131 THR CG2 C 13 22.091 0.5 . 1 . . . . 131 T CG2 . 17045 1
1622 . 1 1 131 131 THR N N 15 118.082 0.12 . 1 . . . . 131 T N . 17045 1
1623 . 1 1 132 132 GLU H H 1 8.630 0.015 . 1 . . . . 132 E H . 17045 1
1624 . 1 1 132 132 GLU HA H 1 4.089 0.015 . 1 . . . . 132 E HA . 17045 1
1625 . 1 1 132 132 GLU HB2 H 1 2.042 0.015 . 1 . . . . 132 E HB2 . 17045 1
1626 . 1 1 132 132 GLU HB3 H 1 1.947 0.015 . 1 . . . . 132 E HB3 . 17045 1
1627 . 1 1 132 132 GLU HG2 H 1 2.313 0.015 . 1 . . . . 132 E QG . 17045 1
1628 . 1 1 132 132 GLU HG3 H 1 2.313 0.015 . 1 . . . . 132 E QG . 17045 1
1629 . 1 1 132 132 GLU C C 13 179.448 0.5 . 1 . . . . 132 E C . 17045 1
1630 . 1 1 132 132 GLU CA C 13 60.048 0.5 . 1 . . . . 132 E CA . 17045 1
1631 . 1 1 132 132 GLU CB C 13 28.818 0.5 . 1 . . . . 132 E CB . 17045 1
1632 . 1 1 132 132 GLU CG C 13 36.986 0.5 . 1 . . . . 132 E CG . 17045 1
1633 . 1 1 132 132 GLU N N 15 121.850 0.12 . 1 . . . . 132 E N . 17045 1
1634 . 1 1 133 133 GLU H H 1 7.837 0.015 . 1 . . . . 133 E H . 17045 1
1635 . 1 1 133 133 GLU HA H 1 3.861 0.015 . 1 . . . . 133 E HA . 17045 1
1636 . 1 1 133 133 GLU HB2 H 1 2.490 0.015 . 1 . . . . 133 E HB2 . 17045 1
1637 . 1 1 133 133 GLU HB3 H 1 1.760 0.015 . 1 . . . . 133 E HB3 . 17045 1
1638 . 1 1 133 133 GLU HG2 H 1 2.490 0.015 . 1 . . . . 133 E HG2 . 17045 1
1639 . 1 1 133 133 GLU HG3 H 1 2.317 0.015 . 1 . . . . 133 E HG3 . 17045 1
1640 . 1 1 133 133 GLU C C 13 178.883 0.5 . 1 . . . . 133 E C . 17045 1
1641 . 1 1 133 133 GLU CA C 13 60.048 0.5 . 1 . . . . 133 E CA . 17045 1
1642 . 1 1 133 133 GLU CB C 13 30.259 0.5 . 1 . . . . 133 E CB . 17045 1
1643 . 1 1 133 133 GLU CG C 13 37.466 0.5 . 1 . . . . 133 E CG . 17045 1
1644 . 1 1 133 133 GLU N N 15 120.583 0.12 . 1 . . . . 133 E N . 17045 1
1645 . 1 1 134 134 CYS H H 1 8.876 0.015 . 1 . . . . 134 C H . 17045 1
1646 . 1 1 134 134 CYS HA H 1 3.880 0.015 . 1 . . . . 134 C HA . 17045 1
1647 . 1 1 134 134 CYS HB2 H 1 3.040 0.015 . 1 . . . . 134 C HB2 . 17045 1
1648 . 1 1 134 134 CYS HB3 H 1 2.774 0.015 . 1 . . . . 134 C HB3 . 17045 1
1649 . 1 1 134 134 CYS C C 13 176.513 0.5 . 1 . . . . 134 C C . 17045 1
1650 . 1 1 134 134 CYS CA C 13 64.372 0.5 . 1 . . . . 134 C CA . 17045 1
1651 . 1 1 134 134 CYS CB C 13 26.416 0.5 . 1 . . . . 134 C CB . 17045 1
1652 . 1 1 134 134 CYS N N 15 116.549 0.12 . 1 . . . . 134 C N . 17045 1
1653 . 1 1 135 135 SER H H 1 7.913 0.015 . 1 . . . . 135 S H . 17045 1
1654 . 1 1 135 135 SER HA H 1 3.900 0.015 . 1 . . . . 135 S HA . 17045 1
1655 . 1 1 135 135 SER HB2 H 1 3.900 0.015 . 1 . . . . 135 S QB . 17045 1
1656 . 1 1 135 135 SER HB3 H 1 3.900 0.015 . 1 . . . . 135 S QB . 17045 1
1657 . 1 1 135 135 SER C C 13 177.120 0.5 . 1 . . . . 135 S C . 17045 1
1658 . 1 1 135 135 SER CA C 13 61.489 0.5 . 1 . . . . 135 S CA . 17045 1
1659 . 1 1 135 135 SER CB C 13 62.450 0.5 . 1 . . . . 135 S CB . 17045 1
1660 . 1 1 135 135 SER N N 15 114.276 0.12 . 1 . . . . 135 S N . 17045 1
1661 . 1 1 136 136 ARG H H 1 7.867 0.015 . 1 . . . . 136 R H . 17045 1
1662 . 1 1 136 136 ARG HA H 1 4.059 0.015 . 1 . . . . 136 R HA . 17045 1
1663 . 1 1 136 136 ARG HB2 H 1 1.944 0.015 . 1 . . . . 136 R HB2 . 17045 1
1664 . 1 1 136 136 ARG HB3 H 1 1.837 0.015 . 1 . . . . 136 R HB3 . 17045 1
1665 . 1 1 136 136 ARG HD2 H 1 3.209 0.015 . 1 . . . . 136 R QD . 17045 1
1666 . 1 1 136 136 ARG HD3 H 1 3.209 0.015 . 1 . . . . 136 R QD . 17045 1
1667 . 1 1 136 136 ARG HG2 H 1 1.737 0.015 . 1 . . . . 136 R QG . 17045 1
1668 . 1 1 136 136 ARG HG3 H 1 1.737 0.015 . 1 . . . . 136 R QG . 17045 1
1669 . 1 1 136 136 ARG C C 13 179.655 0.5 . 1 . . . . 136 R C . 17045 1
1670 . 1 1 136 136 ARG CA C 13 59.567 0.5 . 1 . . . . 136 R CA . 17045 1
1671 . 1 1 136 136 ARG CB C 13 30.259 0.5 . 1 . . . . 136 R CB . 17045 1
1672 . 1 1 136 136 ARG CD C 13 43.712 0.5 . 1 . . . . 136 R CD . 17045 1
1673 . 1 1 136 136 ARG CG C 13 27.857 0.5 . 1 . . . . 136 R CG . 17045 1
1674 . 1 1 136 136 ARG N N 15 121.226 0.12 . 1 . . . . 136 R N . 17045 1
1675 . 1 1 137 137 LEU H H 1 8.432 0.015 . 1 . . . . 137 L H . 17045 1
1676 . 1 1 137 137 LEU HA H 1 3.729 0.015 . 1 . . . . 137 L HA . 17045 1
1677 . 1 1 137 137 LEU HB2 H 1 1.874 0.015 . 1 . . . . 137 L HB2 . 17045 1
1678 . 1 1 137 137 LEU HB3 H 1 1.319 0.015 . 1 . . . . 137 L HB3 . 17045 1
1679 . 1 1 137 137 LEU HD11 H 1 0.786 0.015 . 2 . . . . 137 L QD1 . 17045 1
1680 . 1 1 137 137 LEU HD12 H 1 0.786 0.015 . 2 . . . . 137 L QD1 . 17045 1
1681 . 1 1 137 137 LEU HD13 H 1 0.786 0.015 . 2 . . . . 137 L QD1 . 17045 1
1682 . 1 1 137 137 LEU HD21 H 1 0.417 0.015 . 2 . . . . 137 L QD2 . 17045 1
1683 . 1 1 137 137 LEU HD22 H 1 0.417 0.015 . 2 . . . . 137 L QD2 . 17045 1
1684 . 1 1 137 137 LEU HD23 H 1 0.417 0.015 . 2 . . . . 137 L QD2 . 17045 1
1685 . 1 1 137 137 LEU HG H 1 1.771 0.015 . 1 . . . . 137 L HG . 17045 1
1686 . 1 1 137 137 LEU C C 13 178.991 0.5 . 1 . . . . 137 L C . 17045 1
1687 . 1 1 137 137 LEU CA C 13 57.645 0.5 . 1 . . . . 137 L CA . 17045 1
1688 . 1 1 137 137 LEU CB C 13 41.310 0.5 . 1 . . . . 137 L CB . 17045 1
1689 . 1 1 137 137 LEU CD1 C 13 24.974 0.5 . 1 . . . . 137 L CD1 . 17045 1
1690 . 1 1 137 137 LEU CD2 C 13 22.091 0.5 . 1 . . . . 137 L CD2 . 17045 1
1691 . 1 1 137 137 LEU CG C 13 26.896 0.5 . 1 . . . . 137 L CG . 17045 1
1692 . 1 1 137 137 LEU N N 15 119.629 0.12 . 1 . . . . 137 L N . 17045 1
1693 . 1 1 138 138 GLN H H 1 8.639 0.015 . 1 . . . . 138 Q H . 17045 1
1694 . 1 1 138 138 GLN HA H 1 4.059 0.015 . 1 . . . . 138 Q HA . 17045 1
1695 . 1 1 138 138 GLN HB2 H 1 2.114 0.015 . 1 . . . . 138 Q QB . 17045 1
1696 . 1 1 138 138 GLN HB3 H 1 2.114 0.015 . 1 . . . . 138 Q QB . 17045 1
1697 . 1 1 138 138 GLN HE21 H 1 7.809 0.015 . 1 . . . . 138 Q HE21 . 17045 1
1698 . 1 1 138 138 GLN HE22 H 1 6.588 0.015 . 1 . . . . 138 Q HE22 . 17045 1
1699 . 1 1 138 138 GLN HG2 H 1 2.507 0.015 . 1 . . . . 138 Q HG2 . 17045 1
1700 . 1 1 138 138 GLN HG3 H 1 2.141 0.015 . 1 . . . . 138 Q HG3 . 17045 1
1701 . 1 1 138 138 GLN C C 13 179.632 0.5 . 1 . . . . 138 Q C . 17045 1
1702 . 1 1 138 138 GLN CA C 13 60.528 0.5 . 1 . . . . 138 Q CA . 17045 1
1703 . 1 1 138 138 GLN CB C 13 29.298 0.5 . 1 . . . . 138 Q CB . 17045 1
1704 . 1 1 138 138 GLN CG C 13 35.544 0.5 . 1 . . . . 138 Q CG . 17045 1
1705 . 1 1 138 138 GLN N N 15 118.234 0.12 . 1 . . . . 138 Q N . 17045 1
1706 . 1 1 138 138 GLN NE2 N 15 112.248 0.12 . 1 . . . . 138 Q NE2 . 17045 1
1707 . 1 1 139 139 GLN H H 1 7.827 0.015 . 1 . . . . 139 Q H . 17045 1
1708 . 1 1 139 139 GLN HA H 1 4.084 0.015 . 1 . . . . 139 Q HA . 17045 1
1709 . 1 1 139 139 GLN HB2 H 1 2.143 0.015 . 1 . . . . 139 Q QB . 17045 1
1710 . 1 1 139 139 GLN HB3 H 1 2.143 0.015 . 1 . . . . 139 Q QB . 17045 1
1711 . 1 1 139 139 GLN HE21 H 1 7.302 0.015 . 1 . . . . 139 Q HE21 . 17045 1
1712 . 1 1 139 139 GLN HE22 H 1 6.758 0.015 . 1 . . . . 139 Q HE22 . 17045 1
1713 . 1 1 139 139 GLN HG2 H 1 2.491 0.015 . 1 . . . . 139 Q QG . 17045 1
1714 . 1 1 139 139 GLN HG3 H 1 2.491 0.015 . 1 . . . . 139 Q QG . 17045 1
1715 . 1 1 139 139 GLN C C 13 178.553 0.5 . 1 . . . . 139 Q C . 17045 1
1716 . 1 1 139 139 GLN CA C 13 58.606 0.5 . 1 . . . . 139 Q CA . 17045 1
1717 . 1 1 139 139 GLN CB C 13 27.857 0.5 . 1 . . . . 139 Q CB . 17045 1
1718 . 1 1 139 139 GLN CG C 13 34.583 0.5 . 1 . . . . 139 Q CG . 17045 1
1719 . 1 1 139 139 GLN N N 15 120.067 0.12 . 1 . . . . 139 Q N . 17045 1
1720 . 1 1 139 139 GLN NE2 N 15 111.834 0.12 . 1 . . . . 139 Q NE2 . 17045 1
1721 . 1 1 140 140 ALA H H 1 7.627 0.015 . 1 . . . . 140 A H . 17045 1
1722 . 1 1 140 140 ALA HA H 1 4.028 0.015 . 1 . . . . 140 A HA . 17045 1
1723 . 1 1 140 140 ALA HB1 H 1 0.883 0.015 . 1 . . . . 140 A QB . 17045 1
1724 . 1 1 140 140 ALA HB2 H 1 0.883 0.015 . 1 . . . . 140 A QB . 17045 1
1725 . 1 1 140 140 ALA HB3 H 1 0.883 0.015 . 1 . . . . 140 A QB . 17045 1
1726 . 1 1 140 140 ALA C C 13 181.219 0.5 . 1 . . . . 140 A C . 17045 1
1727 . 1 1 140 140 ALA CA C 13 54.763 0.5 . 1 . . . . 140 A CA . 17045 1
1728 . 1 1 140 140 ALA CB C 13 18.248 0.5 . 1 . . . . 140 A CB . 17045 1
1729 . 1 1 140 140 ALA N N 15 123.937 0.12 . 1 . . . . 140 A N . 17045 1
1730 . 1 1 141 141 LEU H H 1 8.541 0.015 . 1 . . . . 141 L H . 17045 1
1731 . 1 1 141 141 LEU HA H 1 4.044 0.015 . 1 . . . . 141 L HA . 17045 1
1732 . 1 1 141 141 LEU HB2 H 1 2.056 0.015 . 1 . . . . 141 L HB2 . 17045 1
1733 . 1 1 141 141 LEU HB3 H 1 1.372 0.015 . 1 . . . . 141 L HB3 . 17045 1
1734 . 1 1 141 141 LEU HD11 H 1 0.434 0.015 . 2 . . . . 141 L QQD . 17045 1
1735 . 1 1 141 141 LEU HD12 H 1 0.434 0.015 . 2 . . . . 141 L QQD . 17045 1
1736 . 1 1 141 141 LEU HD13 H 1 0.434 0.015 . 2 . . . . 141 L QQD . 17045 1
1737 . 1 1 141 141 LEU HD21 H 1 0.434 0.015 . 2 . . . . 141 L QQD . 17045 1
1738 . 1 1 141 141 LEU HD22 H 1 0.434 0.015 . 2 . . . . 141 L QQD . 17045 1
1739 . 1 1 141 141 LEU HD23 H 1 0.434 0.015 . 2 . . . . 141 L QQD . 17045 1
1740 . 1 1 141 141 LEU HG H 1 0.766 0.015 . 1 . . . . 141 L HG . 17045 1
1741 . 1 1 141 141 LEU C C 13 178.527 0.5 . 1 . . . . 141 L C . 17045 1
1742 . 1 1 141 141 LEU CA C 13 58.126 0.5 . 1 . . . . 141 L CA . 17045 1
1743 . 1 1 141 141 LEU CB C 13 41.310 0.5 . 1 . . . . 141 L CB . 17045 1
1744 . 1 1 141 141 LEU CD1 C 13 23.533 0.5 . 1 . . . . 141 L CD1 . 17045 1
1745 . 1 1 141 141 LEU CD2 C 13 23.533 0.5 . 1 . . . . 141 L CD2 . 17045 1
1746 . 1 1 141 141 LEU CG C 13 24.974 0.5 . 1 . . . . 141 L CG . 17045 1
1747 . 1 1 141 141 LEU N N 15 121.082 0.12 . 1 . . . . 141 L N . 17045 1
1748 . 1 1 142 142 THR H H 1 8.034 0.015 . 1 . . . . 142 T H . 17045 1
1749 . 1 1 142 142 THR HA H 1 3.827 0.015 . 1 . . . . 142 T HA . 17045 1
1750 . 1 1 142 142 THR HB H 1 4.333 0.015 . 1 . . . . 142 T HB . 17045 1
1751 . 1 1 142 142 THR HG21 H 1 1.243 0.015 . 1 . . . . 142 T QG2 . 17045 1
1752 . 1 1 142 142 THR HG22 H 1 1.243 0.015 . 1 . . . . 142 T QG2 . 17045 1
1753 . 1 1 142 142 THR HG23 H 1 1.243 0.015 . 1 . . . . 142 T QG2 . 17045 1
1754 . 1 1 142 142 THR C C 13 175.871 0.5 . 1 . . . . 142 T C . 17045 1
1755 . 1 1 142 142 THR CA C 13 66.774 0.5 . 1 . . . . 142 T CA . 17045 1
1756 . 1 1 142 142 THR CB C 13 68.215 0.5 . 1 . . . . 142 T CB . 17045 1
1757 . 1 1 142 142 THR CG2 C 13 22.091 0.5 . 1 . . . . 142 T CG2 . 17045 1
1758 . 1 1 142 142 THR N N 15 117.097 0.12 . 1 . . . . 142 T N . 17045 1
1759 . 1 1 143 143 CYS H H 1 7.614 0.015 . 1 . . . . 143 C H . 17045 1
1760 . 1 1 143 143 CYS HA H 1 4.067 0.015 . 1 . . . . 143 C HA . 17045 1
1761 . 1 1 143 143 CYS HB2 H 1 3.080 0.015 . 1 . . . . 143 C HB2 . 17045 1
1762 . 1 1 143 143 CYS HB3 H 1 3.038 0.015 . 1 . . . . 143 C HB3 . 17045 1
1763 . 1 1 143 143 CYS C C 13 177.065 0.5 . 1 . . . . 143 C C . 17045 1
1764 . 1 1 143 143 CYS CA C 13 62.450 0.5 . 1 . . . . 143 C CA . 17045 1
1765 . 1 1 143 143 CYS CB C 13 26.416 0.5 . 1 . . . . 143 C CB . 17045 1
1766 . 1 1 143 143 CYS N N 15 118.489 0.12 . 1 . . . . 143 C N . 17045 1
1767 . 1 1 144 144 LEU H H 1 7.507 0.015 . 1 . . . . 144 L H . 17045 1
1768 . 1 1 144 144 LEU HA H 1 4.243 0.015 . 1 . . . . 144 L HA . 17045 1
1769 . 1 1 144 144 LEU HB2 H 1 1.827 0.015 . 1 . . . . 144 L HB2 . 17045 1
1770 . 1 1 144 144 LEU HB3 H 1 1.556 0.015 . 1 . . . . 144 L HB3 . 17045 1
1771 . 1 1 144 144 LEU HD11 H 1 0.811 0.015 . 2 . . . . 144 L QD1 . 17045 1
1772 . 1 1 144 144 LEU HD12 H 1 0.811 0.015 . 2 . . . . 144 L QD1 . 17045 1
1773 . 1 1 144 144 LEU HD13 H 1 0.811 0.015 . 2 . . . . 144 L QD1 . 17045 1
1774 . 1 1 144 144 LEU HD21 H 1 0.706 0.015 . 2 . . . . 144 L QD2 . 17045 1
1775 . 1 1 144 144 LEU HD22 H 1 0.706 0.015 . 2 . . . . 144 L QD2 . 17045 1
1776 . 1 1 144 144 LEU HD23 H 1 0.706 0.015 . 2 . . . . 144 L QD2 . 17045 1
1777 . 1 1 144 144 LEU HG H 1 1.699 0.015 . 1 . . . . 144 L HG . 17045 1
1778 . 1 1 144 144 LEU C C 13 179.163 0.5 . 1 . . . . 144 L C . 17045 1
1779 . 1 1 144 144 LEU CA C 13 57.165 0.5 . 1 . . . . 144 L CA . 17045 1
1780 . 1 1 144 144 LEU CB C 13 42.751 0.5 . 1 . . . . 144 L CB . 17045 1
1781 . 1 1 144 144 LEU CD1 C 13 25.455 0.5 . 1 . . . . 144 L CD1 . 17045 1
1782 . 1 1 144 144 LEU CD2 C 13 25.455 0.5 . 1 . . . . 144 L CD2 . 17045 1
1783 . 1 1 144 144 LEU CG C 13 27.376 0.5 . 1 . . . . 144 L CG . 17045 1
1784 . 1 1 144 144 LEU N N 15 119.600 0.12 . 1 . . . . 144 L N . 17045 1
1785 . 1 1 145 145 ARG H H 1 8.500 0.015 . 1 . . . . 145 R H . 17045 1
1786 . 1 1 145 145 ARG HA H 1 3.902 0.015 . 1 . . . . 145 R HA . 17045 1
1787 . 1 1 145 145 ARG HB2 H 1 1.953 0.015 . 1 . . . . 145 R HB2 . 17045 1
1788 . 1 1 145 145 ARG HB3 H 1 1.867 0.015 . 1 . . . . 145 R HB3 . 17045 1
1789 . 1 1 145 145 ARG HD2 H 1 3.172 0.015 . 1 . . . . 145 R QD . 17045 1
1790 . 1 1 145 145 ARG HD3 H 1 3.172 0.015 . 1 . . . . 145 R QD . 17045 1
1791 . 1 1 145 145 ARG HG2 H 1 1.712 0.015 . 1 . . . . 145 R QG . 17045 1
1792 . 1 1 145 145 ARG HG3 H 1 1.712 0.015 . 1 . . . . 145 R QG . 17045 1
1793 . 1 1 145 145 ARG C C 13 177.005 0.5 . 1 . . . . 145 R C . 17045 1
1794 . 1 1 145 145 ARG CA C 13 59.087 0.5 . 1 . . . . 145 R CA . 17045 1
1795 . 1 1 145 145 ARG CB C 13 30.740 0.5 . 1 . . . . 145 R CB . 17045 1
1796 . 1 1 145 145 ARG CD C 13 43.232 0.5 . 1 . . . . 145 R CD . 17045 1
1797 . 1 1 145 145 ARG CG C 13 28.818 0.5 . 1 . . . . 145 R CG . 17045 1
1798 . 1 1 145 145 ARG N N 15 120.612 0.12 . 1 . . . . 145 R N . 17045 1
1799 . 1 1 146 146 LYS H H 1 7.304 0.015 . 1 . . . . 146 K H . 17045 1
1800 . 1 1 146 146 LYS HA H 1 4.130 0.015 . 1 . . . . 146 K HA . 17045 1
1801 . 1 1 146 146 LYS HB2 H 1 1.965 0.015 . 1 . . . . 146 K HB2 . 17045 1
1802 . 1 1 146 146 LYS HB3 H 1 1.830 0.015 . 1 . . . . 146 K HB3 . 17045 1
1803 . 1 1 146 146 LYS HD2 H 1 1.661 0.015 . 1 . . . . 146 K QD . 17045 1
1804 . 1 1 146 146 LYS HD3 H 1 1.661 0.015 . 1 . . . . 146 K QD . 17045 1
1805 . 1 1 146 146 LYS HE2 H 1 2.951 0.015 . 1 . . . . 146 K QE . 17045 1
1806 . 1 1 146 146 LYS HE3 H 1 2.951 0.015 . 1 . . . . 146 K QE . 17045 1
1807 . 1 1 146 146 LYS HG2 H 1 1.478 0.015 . 1 . . . . 146 K QG . 17045 1
1808 . 1 1 146 146 LYS HG3 H 1 1.478 0.015 . 1 . . . . 146 K QG . 17045 1
1809 . 1 1 146 146 LYS C C 13 177.142 0.5 . 1 . . . . 146 K C . 17045 1
1810 . 1 1 146 146 LYS CA C 13 56.684 0.5 . 1 . . . . 146 K CA . 17045 1
1811 . 1 1 146 146 LYS CB C 13 32.662 0.5 . 1 . . . . 146 K CB . 17045 1
1812 . 1 1 146 146 LYS CD C 13 29.298 0.5 . 1 . . . . 146 K CD . 17045 1
1813 . 1 1 146 146 LYS CE C 13 42.271 0.5 . 1 . . . . 146 K CE . 17045 1
1814 . 1 1 146 146 LYS CG C 13 24.974 0.5 . 1 . . . . 146 K CG . 17045 1
1815 . 1 1 146 146 LYS N N 15 114.754 0.12 . 1 . . . . 146 K N . 17045 1
1816 . 1 1 147 147 VAL H H 1 7.234 0.015 . 1 . . . . 147 V H . 17045 1
1817 . 1 1 147 147 VAL HA H 1 3.901 0.015 . 1 . . . . 147 V HA . 17045 1
1818 . 1 1 147 147 VAL HB H 1 2.201 0.015 . 1 . . . . 147 V HB . 17045 1
1819 . 1 1 147 147 VAL HG11 H 1 1.120 0.015 . 2 . . . . 147 V QG1 . 17045 1
1820 . 1 1 147 147 VAL HG12 H 1 1.120 0.015 . 2 . . . . 147 V QG1 . 17045 1
1821 . 1 1 147 147 VAL HG13 H 1 1.120 0.015 . 2 . . . . 147 V QG1 . 17045 1
1822 . 1 1 147 147 VAL HG21 H 1 1.006 0.015 . 2 . . . . 147 V QG2 . 17045 1
1823 . 1 1 147 147 VAL HG22 H 1 1.006 0.015 . 2 . . . . 147 V QG2 . 17045 1
1824 . 1 1 147 147 VAL HG23 H 1 1.006 0.015 . 2 . . . . 147 V QG2 . 17045 1
1825 . 1 1 147 147 VAL C C 13 175.703 0.5 . 1 . . . . 147 V C . 17045 1
1826 . 1 1 147 147 VAL CA C 13 63.891 0.5 . 1 . . . . 147 V CA . 17045 1
1827 . 1 1 147 147 VAL CB C 13 31.701 0.5 . 1 . . . . 147 V CB . 17045 1
1828 . 1 1 147 147 VAL CG1 C 13 22.091 0.5 . 1 . . . . 147 V CG1 . 17045 1
1829 . 1 1 147 147 VAL CG2 C 13 21.611 0.5 . 1 . . . . 147 V CG2 . 17045 1
1830 . 1 1 147 147 VAL N N 15 120.090 0.12 . 1 . . . . 147 V N . 17045 1
1831 . 1 1 148 148 THR H H 1 8.006 0.015 . 1 . . . . 148 T H . 17045 1
1832 . 1 1 148 148 THR HA H 1 4.523 0.015 . 1 . . . . 148 T HA . 17045 1
1833 . 1 1 148 148 THR HB H 1 4.315 0.015 . 1 . . . . 148 T HB . 17045 1
1834 . 1 1 148 148 THR HG21 H 1 1.164 0.015 . 1 . . . . 148 T QG2 . 17045 1
1835 . 1 1 148 148 THR HG22 H 1 1.164 0.015 . 1 . . . . 148 T QG2 . 17045 1
1836 . 1 1 148 148 THR HG23 H 1 1.164 0.015 . 1 . . . . 148 T QG2 . 17045 1
1837 . 1 1 148 148 THR C C 13 174.020 0.5 . 1 . . . . 148 T C . 17045 1
1838 . 1 1 148 148 THR CA C 13 60.528 0.5 . 1 . . . . 148 T CA . 17045 1
1839 . 1 1 148 148 THR CB C 13 70.618 0.5 . 1 . . . . 148 T CB . 17045 1
1840 . 1 1 148 148 THR CG2 C 13 20.650 0.5 . 1 . . . . 148 T CG2 . 17045 1
1841 . 1 1 148 148 THR N N 15 117.622 0.12 . 1 . . . . 148 T N . 17045 1
1842 . 1 1 149 149 GLY H H 1 8.017 0.015 . 1 . . . . 149 G H . 17045 1
1843 . 1 1 149 149 GLY HA2 H 1 3.893 0.015 . 1 . . . . 149 G HA2 . 17045 1
1844 . 1 1 149 149 GLY HA3 H 1 3.464 0.015 . 1 . . . . 149 G HA3 . 17045 1
1845 . 1 1 149 149 GLY C C 13 179.059 0.5 . 1 . . . . 149 G C . 17045 1
1846 . 1 1 149 149 GLY CA C 13 46.114 0.5 . 1 . . . . 149 G CA . 17045 1
1847 . 1 1 149 149 GLY N N 15 114.270 0.12 . 1 . . . . 149 G N . 17045 1
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