data_17403
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 17403
_Entry.Title
;
1H, 15N and 13C resonance assignment of the N-terminal C39-peptidase like domain of the ABC transporter Haemolysin B (HlyB)
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2011-01-10
_Entry.Accession_date 2011-01-10
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details 'The C39 peptidase like domain of the ATP-binding cassette transporter haemolysin B from E. coli shows no proteolytic activity, nonetheless it is crucial for the function of this transporter. In order to elucidate the contribution of the isolated C39 peptidase like domain in the whole transport process, the backbone and side chain NMR chemical shifts have been assigned.'
_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 Justin Lecher . . . 17403
2 Dieter Willbold . . . 17403
3 Matthias Stoldt . . . 17403
4 Lutz Schmitt . . . 17403
5 Sander Smits . . . 17403
6 Christian Schwarz . . . 17403
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 'not applicable' 'not applicable' . 17403
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
1 . 'Institute for Biochemistry - Heinrich-Heine-Universitaet' . 17403
2 . 'Institute for Structural Biochemistry (ICS-6) - Research Centre Juelich' . 17403
3 . 'Institute for Physical Biology - Heinrich-Heine-Universitaet' . 17403
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 17403
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 657 17403
'15N chemical shifts' 169 17403
'1H chemical shifts' 1069 17403
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
3 . . 2012-03-09 2011-01-10 update BMRB 'update entry citation' 17403
2 . . 2011-08-31 2011-01-10 update author 'update cs based on file of PDB entry 3zua' 17403
1 . . 2011-03-07 2011-01-10 original author 'original release' 17403
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 3ZUA 'BMRB Entry Tracking System' 17403
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 17403
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 21347827
_Citation.Full_citation .
_Citation.Title '1H, 15N and 13C resonance assignment of the N-terminal C39 peptidase-like domain of the ABC transporter Haemolysin B (HlyB).'
_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 2
_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 199
_Citation.Page_last 201
_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 Justin Lecher . . . 17403 1
2 Matthias Stoldt . . . 17403 1
3 Christian Schwarz . K.W. . 17403 1
4 Sander Smits . H.J. . 17403 1
5 Lutz Schmitt . . . 17403 1
6 Dieter Willbold . . . 17403 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'ABC transporter' 17403 1
'C39 peptidase' 17403 1
'heteronuclear NMR' 17403 1
'resonance assignment' 17403 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 17403
_Assembly.ID 1
_Assembly.Name HlyB-C39
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'all free'
_Assembly.Molecular_mass 16089.4973
_Assembly.Enzyme_commission_number .
_Assembly.Details 'Due to clonig artifacts and residual overhang from protease cleavage the proteins starts with GAMANS instead of M.'
_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 C39-137 1 $C39-137 A . yes native no no . . . 17403 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_C39-137
_Entity.Sf_category entity
_Entity.Sf_framecode C39-137
_Entity.Entry_ID 17403
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name HlyB_C39_domain
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GAMANSDSCHKIDYGLYALE
ILAQYHNVSVNPEEIKHRFD
TDGTGLGLTSWLLAAKSLEL
KVKQVKKTIDRLNFISLPAL
VWREDGRHFILTKVSKEANR
YLIFDLEQRNPRVLEQSEFE
ALYQGHIILIASRSSVAGKL
AK
;
_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 142
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment '3 - 125 Peptidase C39'
_Entity.Mutation .
_Entity.EC_number 3.A.1.109
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 16089.4973
_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 yes UNP Q47258 . "Alpha-hemolysin translocation ATP-binding protein HlyB" . . . . . . . . . . . . . . 17403 1
2 no PDB 3ZUA . "A C39-Like Domain" . . . . . 100.00 142 100.00 100.00 8.44e-99 . . . . 17403 1
3 no EMBL CAD33760 . "hemolysin B [Escherichia coli]" . . . . . 95.77 707 99.26 99.26 2.58e-87 . . . . 17403 1
4 no EMBL CAD42038 . "HlyB protein [Escherichia coli]" . . . . . 95.77 707 99.26 99.26 2.58e-87 . . . . 17403 1
5 no EMBL CAK02716 . "HlyB protein [Escherichia coli]" . . . . . 95.77 707 98.53 98.53 1.31e-86 . . . . 17403 1
6 no EMBL CAM84370 . "hemolysin secretion ATP-binding protein HlyB [Escherichia coli ABU 83972]" . . . . . 95.77 707 98.53 98.53 1.31e-86 . . . . 17403 1
7 no EMBL CAM84374 . "hemolysin secretion ATP-binding protein HlyB [Escherichia coli]" . . . . . 95.77 707 98.53 98.53 1.31e-86 . . . . 17403 1
8 no GB AAA23976 . "chromosomal hemolysin B (hlyB) [Escherichia coli]" . . . . . 95.77 707 98.53 98.53 5.24e-86 . . . . 17403 1
9 no GB AAA23978 . "hemolysoin B [Escherichia coli]" . . . . . 95.77 707 100.00 100.00 7.81e-88 . . . . 17403 1
10 no GB AAN82021 . "Hemolysin B [Escherichia coli CFT073]" . . . . . 95.77 707 99.26 99.26 2.53e-87 . . . . 17403 1
11 no GB ABE10328 . "hemolysin secretion protein HlyB [Escherichia coli UTI89]" . . . . . 95.77 707 100.00 100.00 7.81e-88 . . . . 17403 1
12 no GB ABG71799 . "alpha-hemolysin translocation ATP-binding protein HlyB [Escherichia coli 536]" . . . . . 95.77 707 99.26 99.26 2.58e-87 . . . . 17403 1
13 no REF WP_000376537 . "peptidase C39 [Escherichia coli]" . . . . . 95.77 707 97.06 97.79 1.69e-85 . . . . 17403 1
14 no REF WP_000376540 . "peptidase C39 [Escherichia coli]" . . . . . 95.77 707 97.79 97.79 4.03e-86 . . . . 17403 1
15 no REF WP_000376541 . "peptidase C39 [Escherichia coli]" . . . . . 95.77 707 98.53 98.53 1.31e-86 . . . . 17403 1
16 no REF WP_000376543 . "alpha-hemolysin translocation ATP-binding protein HlyB [Escherichia coli]" . . . . . 95.77 707 100.00 100.00 7.81e-88 . . . . 17403 1
17 no REF WP_000376544 . "alpha-hemolysin translocation ATP-binding protein HlyB [Escherichia coli]" . . . . . 95.77 707 99.26 99.26 2.58e-87 . . . . 17403 1
18 no SP P10089 . "RecName: Full=Alpha-hemolysin translocation ATP-binding protein HlyB" . . . . . 95.77 707 98.53 98.53 5.24e-86 . . . . 17403 1
19 no SP Q47258 . "RecName: Full=Alpha-hemolysin translocation ATP-binding protein HlyB" . . . . . 95.77 707 100.00 100.00 7.81e-88 . . . . 17403 1
20 no SP Q8FDZ8 . "RecName: Full=Alpha-hemolysin translocation ATP-binding protein HlyB" . . . . . 95.77 707 99.26 99.26 2.53e-87 . . . . 17403 1
stop_
loop_
_Entity_systematic_name.Name
_Entity_systematic_name.Naming_system
_Entity_systematic_name.Entry_ID
_Entity_systematic_name.Entity_ID
3.A.1.109 EC 17403 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 -4 GLY . 17403 1
2 -3 ALA . 17403 1
3 -2 MET . 17403 1
4 -1 ALA . 17403 1
5 0 ASN . 17403 1
6 1 SER . 17403 1
7 2 ASP . 17403 1
8 3 SER . 17403 1
9 4 CYS . 17403 1
10 5 HIS . 17403 1
11 6 LYS . 17403 1
12 7 ILE . 17403 1
13 8 ASP . 17403 1
14 9 TYR . 17403 1
15 10 GLY . 17403 1
16 11 LEU . 17403 1
17 12 TYR . 17403 1
18 13 ALA . 17403 1
19 14 LEU . 17403 1
20 15 GLU . 17403 1
21 16 ILE . 17403 1
22 17 LEU . 17403 1
23 18 ALA . 17403 1
24 19 GLN . 17403 1
25 20 TYR . 17403 1
26 21 HIS . 17403 1
27 22 ASN . 17403 1
28 23 VAL . 17403 1
29 24 SER . 17403 1
30 25 VAL . 17403 1
31 26 ASN . 17403 1
32 27 PRO . 17403 1
33 28 GLU . 17403 1
34 29 GLU . 17403 1
35 30 ILE . 17403 1
36 31 LYS . 17403 1
37 32 HIS . 17403 1
38 33 ARG . 17403 1
39 34 PHE . 17403 1
40 35 ASP . 17403 1
41 36 THR . 17403 1
42 37 ASP . 17403 1
43 38 GLY . 17403 1
44 39 THR . 17403 1
45 40 GLY . 17403 1
46 41 LEU . 17403 1
47 42 GLY . 17403 1
48 43 LEU . 17403 1
49 44 THR . 17403 1
50 45 SER . 17403 1
51 46 TRP . 17403 1
52 47 LEU . 17403 1
53 48 LEU . 17403 1
54 49 ALA . 17403 1
55 50 ALA . 17403 1
56 51 LYS . 17403 1
57 52 SER . 17403 1
58 53 LEU . 17403 1
59 54 GLU . 17403 1
60 55 LEU . 17403 1
61 56 LYS . 17403 1
62 57 VAL . 17403 1
63 58 LYS . 17403 1
64 59 GLN . 17403 1
65 60 VAL . 17403 1
66 61 LYS . 17403 1
67 62 LYS . 17403 1
68 63 THR . 17403 1
69 64 ILE . 17403 1
70 65 ASP . 17403 1
71 66 ARG . 17403 1
72 67 LEU . 17403 1
73 68 ASN . 17403 1
74 69 PHE . 17403 1
75 70 ILE . 17403 1
76 71 SER . 17403 1
77 72 LEU . 17403 1
78 73 PRO . 17403 1
79 74 ALA . 17403 1
80 75 LEU . 17403 1
81 76 VAL . 17403 1
82 77 TRP . 17403 1
83 78 ARG . 17403 1
84 79 GLU . 17403 1
85 80 ASP . 17403 1
86 81 GLY . 17403 1
87 82 ARG . 17403 1
88 83 HIS . 17403 1
89 84 PHE . 17403 1
90 85 ILE . 17403 1
91 86 LEU . 17403 1
92 87 THR . 17403 1
93 88 LYS . 17403 1
94 89 VAL . 17403 1
95 90 SER . 17403 1
96 91 LYS . 17403 1
97 92 GLU . 17403 1
98 93 ALA . 17403 1
99 94 ASN . 17403 1
100 95 ARG . 17403 1
101 96 TYR . 17403 1
102 97 LEU . 17403 1
103 98 ILE . 17403 1
104 99 PHE . 17403 1
105 100 ASP . 17403 1
106 101 LEU . 17403 1
107 102 GLU . 17403 1
108 103 GLN . 17403 1
109 104 ARG . 17403 1
110 105 ASN . 17403 1
111 106 PRO . 17403 1
112 107 ARG . 17403 1
113 108 VAL . 17403 1
114 109 LEU . 17403 1
115 110 GLU . 17403 1
116 111 GLN . 17403 1
117 112 SER . 17403 1
118 113 GLU . 17403 1
119 114 PHE . 17403 1
120 115 GLU . 17403 1
121 116 ALA . 17403 1
122 117 LEU . 17403 1
123 118 TYR . 17403 1
124 119 GLN . 17403 1
125 120 GLY . 17403 1
126 121 HIS . 17403 1
127 122 ILE . 17403 1
128 123 ILE . 17403 1
129 124 LEU . 17403 1
130 125 ILE . 17403 1
131 126 ALA . 17403 1
132 127 SER . 17403 1
133 128 ARG . 17403 1
134 129 SER . 17403 1
135 130 SER . 17403 1
136 131 VAL . 17403 1
137 132 ALA . 17403 1
138 133 GLY . 17403 1
139 134 LYS . 17403 1
140 135 LEU . 17403 1
141 136 ALA . 17403 1
142 137 LYS . 17403 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 17403 1
. ALA 2 2 17403 1
. MET 3 3 17403 1
. ALA 4 4 17403 1
. ASN 5 5 17403 1
. SER 6 6 17403 1
. ASP 7 7 17403 1
. SER 8 8 17403 1
. CYS 9 9 17403 1
. HIS 10 10 17403 1
. LYS 11 11 17403 1
. ILE 12 12 17403 1
. ASP 13 13 17403 1
. TYR 14 14 17403 1
. GLY 15 15 17403 1
. LEU 16 16 17403 1
. TYR 17 17 17403 1
. ALA 18 18 17403 1
. LEU 19 19 17403 1
. GLU 20 20 17403 1
. ILE 21 21 17403 1
. LEU 22 22 17403 1
. ALA 23 23 17403 1
. GLN 24 24 17403 1
. TYR 25 25 17403 1
. HIS 26 26 17403 1
. ASN 27 27 17403 1
. VAL 28 28 17403 1
. SER 29 29 17403 1
. VAL 30 30 17403 1
. ASN 31 31 17403 1
. PRO 32 32 17403 1
. GLU 33 33 17403 1
. GLU 34 34 17403 1
. ILE 35 35 17403 1
. LYS 36 36 17403 1
. HIS 37 37 17403 1
. ARG 38 38 17403 1
. PHE 39 39 17403 1
. ASP 40 40 17403 1
. THR 41 41 17403 1
. ASP 42 42 17403 1
. GLY 43 43 17403 1
. THR 44 44 17403 1
. GLY 45 45 17403 1
. LEU 46 46 17403 1
. GLY 47 47 17403 1
. LEU 48 48 17403 1
. THR 49 49 17403 1
. SER 50 50 17403 1
. TRP 51 51 17403 1
. LEU 52 52 17403 1
. LEU 53 53 17403 1
. ALA 54 54 17403 1
. ALA 55 55 17403 1
. LYS 56 56 17403 1
. SER 57 57 17403 1
. LEU 58 58 17403 1
. GLU 59 59 17403 1
. LEU 60 60 17403 1
. LYS 61 61 17403 1
. VAL 62 62 17403 1
. LYS 63 63 17403 1
. GLN 64 64 17403 1
. VAL 65 65 17403 1
. LYS 66 66 17403 1
. LYS 67 67 17403 1
. THR 68 68 17403 1
. ILE 69 69 17403 1
. ASP 70 70 17403 1
. ARG 71 71 17403 1
. LEU 72 72 17403 1
. ASN 73 73 17403 1
. PHE 74 74 17403 1
. ILE 75 75 17403 1
. SER 76 76 17403 1
. LEU 77 77 17403 1
. PRO 78 78 17403 1
. ALA 79 79 17403 1
. LEU 80 80 17403 1
. VAL 81 81 17403 1
. TRP 82 82 17403 1
. ARG 83 83 17403 1
. GLU 84 84 17403 1
. ASP 85 85 17403 1
. GLY 86 86 17403 1
. ARG 87 87 17403 1
. HIS 88 88 17403 1
. PHE 89 89 17403 1
. ILE 90 90 17403 1
. LEU 91 91 17403 1
. THR 92 92 17403 1
. LYS 93 93 17403 1
. VAL 94 94 17403 1
. SER 95 95 17403 1
. LYS 96 96 17403 1
. GLU 97 97 17403 1
. ALA 98 98 17403 1
. ASN 99 99 17403 1
. ARG 100 100 17403 1
. TYR 101 101 17403 1
. LEU 102 102 17403 1
. ILE 103 103 17403 1
. PHE 104 104 17403 1
. ASP 105 105 17403 1
. LEU 106 106 17403 1
. GLU 107 107 17403 1
. GLN 108 108 17403 1
. ARG 109 109 17403 1
. ASN 110 110 17403 1
. PRO 111 111 17403 1
. ARG 112 112 17403 1
. VAL 113 113 17403 1
. LEU 114 114 17403 1
. GLU 115 115 17403 1
. GLN 116 116 17403 1
. SER 117 117 17403 1
. GLU 118 118 17403 1
. PHE 119 119 17403 1
. GLU 120 120 17403 1
. ALA 121 121 17403 1
. LEU 122 122 17403 1
. TYR 123 123 17403 1
. GLN 124 124 17403 1
. GLY 125 125 17403 1
. HIS 126 126 17403 1
. ILE 127 127 17403 1
. ILE 128 128 17403 1
. LEU 129 129 17403 1
. ILE 130 130 17403 1
. ALA 131 131 17403 1
. SER 132 132 17403 1
. ARG 133 133 17403 1
. SER 134 134 17403 1
. SER 135 135 17403 1
. VAL 136 136 17403 1
. ALA 137 137 17403 1
. GLY 138 138 17403 1
. LYS 139 139 17403 1
. LEU 140 140 17403 1
. ALA 141 141 17403 1
. LYS 142 142 17403 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 17403
_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 $C39-137 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17403 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 17403
_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 $C39-137 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'Bl21 (DE3) pLysS' . . . . . . . . . . . . . . . pET22a . . . . . . 17403 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_Uniform_15N13C
_Sample.Sf_category sample
_Sample.Sf_framecode Uniform_15N13C
_Sample.Entry_ID 17403
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '93% H2O/7% 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 C39-137 '[U-13C; U-15N]' . . 1 $C39-137 . . 2.0 . . mM . . . . 17403 1
2 H2O '[U-13C; U-15N]' . . . . . . 93 . . % . . . . 17403 1
3 D2O '[U-13C; U-15N]' . . . . . . 7 . . % . . . . 17403 1
stop_
save_
save_Uniform_15N
_Sample.Sf_category sample
_Sample.Sf_framecode Uniform_15N
_Sample.Entry_ID 17403
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '93% H2O/7% 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 C39-137 [U-15N] . . 1 $C39-137 . . 2.5 . . mM . . . . 17403 2
2 H2O [U-15N] . . . . . . 93 . . % . . . . 17403 2
3 D2O [U-15N] . . . . . . 7 . . % . . . . 17403 2
stop_
save_
save_Uniform_15N13C_deuterated_buffer
_Sample.Sf_category sample
_Sample.Sf_framecode Uniform_15N13C_deuterated_buffer
_Sample.Entry_ID 17403
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details 'all buffer components are deuterated'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '93% H2O/7% 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 C39-137 '[U-13C; U-15N]' . . 1 $C39-137 . . 2.5 . . mM . . . . 17403 3
2 H2O '[U-13C; U-15N]' . . . . . . 93 . . % . . . . 17403 3
3 D2O '[U-13C; U-15N]' . . . . . . 7 . . % . . . . 17403 3
stop_
save_
save_Uniform_15N13C_deuterated_buffer-D2O
_Sample.Sf_category sample
_Sample.Sf_framecode Uniform_15N13C_deuterated_buffer-D2O
_Sample.Entry_ID 17403
_Sample.ID 4
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details 'all buffer components are deuterated'
_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 C39-137 '[U-13C; U-15N]' . . 1 $C39-137 . . 2.5 . . mM . . . . 17403 4
2 D2O '[U-13C; U-15N]' . . . . . . 100 . . % . . . . 17403 4
stop_
save_
#######################
# Sample conditions #
#######################
save_standard
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode standard
_Sample_condition_list.Entry_ID 17403
_Sample_condition_list.ID 1
_Sample_condition_list.Details 'Standard conditions'
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' 0.200 . M 17403 1
pH 6.000 . pH 17403 1
pressure 1.000 . atm 17403 1
temperature 303.000 . K 17403 1
stop_
save_
############################
# Computer software used #
############################
save_Azara
_Software.Sf_category software
_Software.Sf_framecode Azara
_Software.Entry_ID 17403
_Software.ID 1
_Software.Name AZARA
_Software.Version 2.8
_Software.Details 'A general multi-dimensional NMR processing program'
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Wayne Boucher' 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk/azara/ 17403 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 17403 1
stop_
save_
save_CcpNmr_Analysis
_Software.Sf_category software
_Software.Sf_framecode CcpNmr_Analysis
_Software.Entry_ID 17403
_Software.ID 2
_Software.Name ANALYSIS
_Software.Version 2.1
_Software.Details 'The CCPN NMR assignment and data analysis application'
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 17403 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
assignment 17403 2
'data evaluation' 17403 2
stop_
save_
save_NmrPipe
_Software.Sf_category software
_Software.Sf_framecode NmrPipe
_Software.Entry_ID 17403
_Software.ID 3
_Software.Name NMRPipe
_Software.Version 5.4.2010.250.17.50
_Software.Details 'NMRPipe Spectral Processing and Analysis System'
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
NIH 'Laboratory of Chemical Physics, NIDDK, NIH, USA' http://spin.niddk.nih.gov/NMRPipe/ 17403 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
conversion 17403 3
processing 17403 3
stop_
save_
save_VnmrJ
_Software.Sf_category software
_Software.Sf_framecode VnmrJ
_Software.Entry_ID 17403
_Software.ID 4
_Software.Name VnmrJ
_Software.Version 2.3A
_Software.Details 'NMR acquisition and processing software'
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Agilent Technologies (formerly Varian)' 'Lake Forest, CA, USA' http://www.varianinc.com/cgi-bin/nav?products/nmr/software/vnmrj 17403 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data recording' 17403 4
'spectrometer operation' 17403 4
stop_
save_
save_gui
_Method.Sf_category method
_Method.Sf_framecode gui
_Method.Entry_ID 17403
_Method.ID 1
_Method.Derivation_type .
_Method.Details gui
_Method.Computer_ID .
_Method.Computer_label .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_900_MHz_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode 900_MHz_spectrometer
_NMR_spectrometer.Entry_ID 17403
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model VNMRS
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 900
save_
save_800_MHz_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode 800_MHz_spectrometer
_NMR_spectrometer.Entry_ID 17403
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model VNMRS
_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 17403
_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
1 900_MHz_spectrometer Varian VNMRS . 900 . . . 17403 1
2 800_MHz_spectrometer Varian VNMRS . 800 . . . 17403 1
stop_
save_
save_900_CP
_NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe
_NMR_spectrometer_probe.Sf_framecode 900_CP
_NMR_spectrometer_probe.Entry_ID 17403
_NMR_spectrometer_probe.ID 1
_NMR_spectrometer_probe.Details .
_NMR_spectrometer_probe.Manufacturer Varian
_NMR_spectrometer_probe.Model '900MHz Z-axis PFG triple resonance cold probe'
_NMR_spectrometer_probe.Serial_number .
_NMR_spectrometer_probe.Diameter 5.0
_NMR_spectrometer_probe.Rotor_length .
_NMR_spectrometer_probe.Rotor_composition .
_NMR_spectrometer_probe.Internal_volume .
_NMR_spectrometer_probe.Spacer_present .
loop_
_NMR_probe.Type
_NMR_probe.Entry_ID
_NMR_probe.NMR_spectrometer_probe_ID
liquid 17403 1
stop_
save_
save_800_CP
_NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe
_NMR_spectrometer_probe.Sf_framecode 800_CP
_NMR_spectrometer_probe.Entry_ID 17403
_NMR_spectrometer_probe.ID 2
_NMR_spectrometer_probe.Details .
_NMR_spectrometer_probe.Manufacturer Varian
_NMR_spectrometer_probe.Model '800MHz Z-axis PFG triple resonance cold probe'
_NMR_spectrometer_probe.Serial_number .
_NMR_spectrometer_probe.Diameter 5.0
_NMR_spectrometer_probe.Rotor_length .
_NMR_spectrometer_probe.Rotor_composition .
_NMR_spectrometer_probe.Internal_volume .
_NMR_spectrometer_probe.Spacer_present .
loop_
_NMR_probe.Type
_NMR_probe.Entry_ID
_NMR_probe.NMR_spectrometer_probe_ID
liquid 17403 2
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 17403
_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 . . . . . . . . . . 2 $Uniform_15N isotropic . . 1 $standard . . . 1 $900_MHz_spectrometer 1 $900_CP . . . . . . . . . . . . . . 17403 1
2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $Uniform_15N13C isotropic . . 1 $standard . . . 1 $900_MHz_spectrometer 1 $900_CP . . . . . . . . . . . . . . 17403 1
3 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $Uniform_15N13C isotropic . . 1 $standard . . . 1 $900_MHz_spectrometer 1 $900_CP . . . . . . . . . . . . . . 17403 1
4 '3D HNHA' no . . . . . . . . . . 2 $Uniform_15N isotropic . . 1 $standard . . . 2 $800_MHz_spectrometer 2 $800_CP . . . . . . . . . . . . . . 17403 1
5 '3D HNCO' no . . . . . . . . . . 1 $Uniform_15N13C isotropic . . 1 $standard . . . 1 $900_MHz_spectrometer 1 $900_CP . . . . . . . . . . . . . . 17403 1
6 '3D HNCACB' no . . . . . . . . . . 1 $Uniform_15N13C isotropic . . 1 $standard . . . 2 $800_MHz_spectrometer 2 $800_CP . . . . . . . . . . . . . . 17403 1
7 '3D H(CCO)NH' no . . . . . . . . . . 1 $Uniform_15N13C isotropic . . 1 $standard . . . 2 $800_MHz_spectrometer 2 $800_CP . . . . . . . . . . . . . . 17403 1
8 '3D C(CO)NH' no . . . . . . . . . . 1 $Uniform_15N13C isotropic . . 1 $standard . . . 2 $800_MHz_spectrometer 2 $800_CP . . . . . . . . . . . . . . 17403 1
9 '3D HCCH-COSY' no . . . . . . . . . . 3 $Uniform_15N13C_deuterated_buffer isotropic . . 1 $standard . . . 1 $900_MHz_spectrometer 1 $900_CP . . . . . . . . . . . . . . 17403 1
10 '2D 1H-15N HMQC' no . . . . . . . . . . 2 $Uniform_15N isotropic . . 1 $standard . . . 1 $900_MHz_spectrometer 1 $900_CP . . . . . . . . . . . . . . 17403 1
11 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $Uniform_15N13C_deuterated_buffer isotropic . . 1 $standard . . . 1 $900_MHz_spectrometer 1 $900_CP . . . . . . . . . . . . . . 17403 1
12 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 4 $Uniform_15N13C_deuterated_buffer-D2O isotropic . . 1 $standard . . . 1 $900_MHz_spectrometer 1 $900_CP . . . . . . . . . . . . . . 17403 1
13 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $Uniform_15N isotropic . . 1 $standard . . . 1 $900_MHz_spectrometer 1 $900_CP . . . . . . . . . . . . . . 17403 1
14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $Uniform_15N13C_deuterated_buffer isotropic . . 1 $standard . . . 1 $900_MHz_spectrometer 1 $900_CP . . . . . . . . . . . . . . 17403 1
15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $Uniform_15N13C_deuterated_buffer isotropic . . 1 $standard . . . 1 $900_MHz_spectrometer 1 $900_CP . . . . . . . . . . . . . . 17403 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 17403
_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 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel 1 $entry_citation . . 1 $entry_citation 17403 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel 1 $entry_citation . . 1 $entry_citation 17403 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel 1 $entry_citation . . 1 $entry_citation 17403 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
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 17403
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $standard
_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' . . . 17403 1
2 '3D CBCA(CO)NH' . . . 17403 1
3 '3D HBHA(CO)NH' . . . 17403 1
4 '3D HNHA' . . . 17403 1
5 '3D HNCO' . . . 17403 1
6 '3D HNCACB' . . . 17403 1
7 '3D H(CCO)NH' . . . 17403 1
8 '3D C(CO)NH' . . . 17403 1
9 '3D HCCH-COSY' . . . 17403 1
10 '2D 1H-15N HMQC' . . . 17403 1
11 '2D 1H-13C HSQC aromatic' . . . 17403 1
12 '2D 1H-13C HSQC aliphatic' . . . 17403 1
13 '3D 1H-15N NOESY' . . . 17403 1
14 '3D 1H-13C NOESY aliphatic' . . . 17403 1
15 '3D 1H-13C NOESY aromatic' . . . 17403 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY HA2 H 1 3.842 0.003 . 1 . 1591 . . -4 GLY HA2 . 17403 1
2 . 1 1 1 1 GLY HA3 H 1 3.842 0.003 . 1 . 1592 . . -4 GLY HA3 . 17403 1
3 . 1 1 1 1 GLY C C 13 170.125 . . 1 . 511 . . -4 GLY C . 17403 1
4 . 1 1 1 1 GLY CA C 13 43.249 0.066 . 1 . 508 . . -4 GLY CA . 17403 1
5 . 1 1 2 2 ALA H H 1 8.617 0.003 . 1 . 1655 . . -3 ALA H . 17403 1
6 . 1 1 2 2 ALA HA H 1 4.336 0.003 . 1 . 727 . . -3 ALA HA . 17403 1
7 . 1 1 2 2 ALA HB1 H 1 1.380 0.004 . 1 . 816 . . -3 ALA HB1 . 17403 1
8 . 1 1 2 2 ALA HB2 H 1 1.380 0.004 . 1 . 816 . . -3 ALA HB2 . 17403 1
9 . 1 1 2 2 ALA HB3 H 1 1.380 0.004 . 1 . 816 . . -3 ALA HB3 . 17403 1
10 . 1 1 2 2 ALA C C 13 177.827 . . 1 . 615 . . -3 ALA C . 17403 1
11 . 1 1 2 2 ALA CA C 13 52.610 0.042 . 1 . 401 . . -3 ALA CA . 17403 1
12 . 1 1 2 2 ALA CB C 13 19.369 0.015 . 1 . 402 . . -3 ALA CB . 17403 1
13 . 1 1 2 2 ALA N N 15 123.877 0.014 . 1 . 165 . . -3 ALA N . 17403 1
14 . 1 1 3 3 MET H H 1 8.464 0.004 . 1 . 171 . . -2 MET H . 17403 1
15 . 1 1 3 3 MET HA H 1 4.442 0.002 . 1 . 818 . . -2 MET HA . 17403 1
16 . 1 1 3 3 MET HB2 H 1 1.999 0.002 . 2 . 817 . . -2 MET HB2 . 17403 1
17 . 1 1 3 3 MET HB3 H 1 2.070 0.003 . 2 . 819 . . -2 MET HB3 . 17403 1
18 . 1 1 3 3 MET HG2 H 1 2.596 0.016 . 2 . 1128 . . -2 MET HG2 . 17403 1
19 . 1 1 3 3 MET HG3 H 1 2.542 0.016 . 2 . 1127 . . -2 MET HG3 . 17403 1
20 . 1 1 3 3 MET HE1 H 1 2.078 0.003 . 1 . 1356 . . -2 MET HE1 . 17403 1
21 . 1 1 3 3 MET HE2 H 1 2.078 0.003 . 1 . 1356 . . -2 MET HE2 . 17403 1
22 . 1 1 3 3 MET HE3 H 1 2.078 0.003 . 1 . 1356 . . -2 MET HE3 . 17403 1
23 . 1 1 3 3 MET C C 13 176.055 . . 1 . 654 . . -2 MET C . 17403 1
24 . 1 1 3 3 MET CA C 13 55.382 0.053 . 1 . 437 . . -2 MET CA . 17403 1
25 . 1 1 3 3 MET CB C 13 32.923 0.032 . 1 . 438 . . -2 MET CB . 17403 1
26 . 1 1 3 3 MET CG C 13 32.038 0.038 . 1 . 1129 . . -2 MET CG . 17403 1
27 . 1 1 3 3 MET CE C 13 16.985 . . 1 . 1357 . . -2 MET CE . 17403 1
28 . 1 1 3 3 MET N N 15 119.746 0.02 . 1 . 172 . . -2 MET N . 17403 1
29 . 1 1 4 4 ALA H H 1 8.349 0.004 . 1 . 222 . . -1 ALA H . 17403 1
30 . 1 1 4 4 ALA HA H 1 4.298 0.002 . 1 . 756 . . -1 ALA HA . 17403 1
31 . 1 1 4 4 ALA HB1 H 1 1.375 0.003 . 1 . 820 . . -1 ALA HB1 . 17403 1
32 . 1 1 4 4 ALA HB2 H 1 1.375 0.003 . 1 . 820 . . -1 ALA HB2 . 17403 1
33 . 1 1 4 4 ALA HB3 H 1 1.375 0.003 . 1 . 820 . . -1 ALA HB3 . 17403 1
34 . 1 1 4 4 ALA C C 13 177.452 . . 1 . 618 . . -1 ALA C . 17403 1
35 . 1 1 4 4 ALA CA C 13 52.560 0.041 . 1 . 696 . . -1 ALA CA . 17403 1
36 . 1 1 4 4 ALA CB C 13 19.171 0.015 . 1 . 695 . . -1 ALA CB . 17403 1
37 . 1 1 4 4 ALA N N 15 125.454 0.02 . 1 . 223 . . -1 ALA N . 17403 1
38 . 1 1 5 5 ASN H H 1 8.414 0.005 . 1 . 108 . . 0 ASN H . 17403 1
39 . 1 1 5 5 ASN HA H 1 4.699 0.003 . 1 . 791 . . 0 ASN HA . 17403 1
40 . 1 1 5 5 ASN HB2 H 1 2.845 0.005 . 2 . 821 . . 0 ASN HB2 . 17403 1
41 . 1 1 5 5 ASN HB3 H 1 2.789 0.004 . 2 . 822 . . 0 ASN HB3 . 17403 1
42 . 1 1 5 5 ASN HD21 H 1 7.604 0.005 . 1 . 269 . . 0 ASN HD21 . 17403 1
43 . 1 1 5 5 ASN HD22 H 1 6.910 0.018 . 1 . 205 . . 0 ASN HD22 . 17403 1
44 . 1 1 5 5 ASN C C 13 175.494 . . 1 . 547 . . 0 ASN C . 17403 1
45 . 1 1 5 5 ASN CA C 13 53.299 0.049 . 1 . 362 . . 0 ASN CA . 17403 1
46 . 1 1 5 5 ASN CB C 13 38.894 0.038 . 1 . 361 . . 0 ASN CB . 17403 1
47 . 1 1 5 5 ASN N N 15 118.027 0.022 . 1 . 109 . . 0 ASN N . 17403 1
48 . 1 1 5 5 ASN ND2 N 15 113.016 0.026 . 1 . 206 . . 0 ASN ND2 . 17403 1
49 . 1 1 6 6 SER H H 1 8.273 0.004 . 1 . 116 . . 1 SER H . 17403 1
50 . 1 1 6 6 SER HA H 1 4.437 0.002 . 1 . 775 . . 1 SER HA . 17403 1
51 . 1 1 6 6 SER HB2 H 1 3.927 0.007 . 2 . 823 . . 1 SER HB2 . 17403 1
52 . 1 1 6 6 SER HB3 H 1 3.848 0.006 . 2 . 824 . . 1 SER HB3 . 17403 1
53 . 1 1 6 6 SER C C 13 174.528 . . 1 . 630 . . 1 SER C . 17403 1
54 . 1 1 6 6 SER CA C 13 58.631 0.013 . 1 . 701 . . 1 SER CA . 17403 1
55 . 1 1 6 6 SER CB C 13 63.775 0.022 . 1 . 702 . . 1 SER CB . 17403 1
56 . 1 1 6 6 SER N N 15 116.077 0.021 . 1 . 117 . . 1 SER N . 17403 1
57 . 1 1 7 7 ASP H H 1 8.377 0.003 . 1 . 173 . . 2 ASP H . 17403 1
58 . 1 1 7 7 ASP HA H 1 4.637 0.002 . 1 . 783 . . 2 ASP HA . 17403 1
59 . 1 1 7 7 ASP HB2 H 1 2.719 0.012 . 2 . 1174 . . 2 ASP HB2 . 17403 1
60 . 1 1 7 7 ASP HB3 H 1 2.686 0.006 . 2 . 825 . . 2 ASP HB3 . 17403 1
61 . 1 1 7 7 ASP C C 13 176.577 . . 1 . 590 . . 2 ASP C . 17403 1
62 . 1 1 7 7 ASP CA C 13 54.571 0.034 . 1 . 707 . . 2 ASP CA . 17403 1
63 . 1 1 7 7 ASP CB C 13 41.177 0.037 . 1 . 706 . . 2 ASP CB . 17403 1
64 . 1 1 7 7 ASP N N 15 122.270 0.025 . 1 . 174 . . 2 ASP N . 17403 1
65 . 1 1 8 8 SER H H 1 8.196 0.004 . 1 . 51 . . 3 SER H . 17403 1
66 . 1 1 8 8 SER HA H 1 4.403 0.004 . 1 . 753 . . 3 SER HA . 17403 1
67 . 1 1 8 8 SER HB2 H 1 3.855 0.009 . 2 . 1348 . . 3 SER HB2 . 17403 1
68 . 1 1 8 8 SER HB3 H 1 3.909 0.009 . 2 . 1347 . . 3 SER HB3 . 17403 1
69 . 1 1 8 8 SER C C 13 174.668 . . 1 . 553 . . 3 SER C . 17403 1
70 . 1 1 8 8 SER CA C 13 58.708 0.036 . 1 . 693 . . 3 SER CA . 17403 1
71 . 1 1 8 8 SER CB C 13 63.651 0.052 . 1 . 694 . . 3 SER CB . 17403 1
72 . 1 1 8 8 SER N N 15 115.614 0.023 . 1 . 52 . . 3 SER N . 17403 1
73 . 1 1 9 9 CYS H H 1 8.213 0.003 . 1 . 17 . . 4 CYS H . 17403 1
74 . 1 1 9 9 CYS HA H 1 4.444 0.003 . 1 . 784 . . 4 CYS HA . 17403 1
75 . 1 1 9 9 CYS HB2 H 1 2.882 0.004 . 1 . 1135 . . 4 CYS HB2 . 17403 1
76 . 1 1 9 9 CYS HB3 H 1 2.882 0.004 . 1 . 826 . . 4 CYS HB3 . 17403 1
77 . 1 1 9 9 CYS C C 13 174.338 . . 1 . 655 . . 4 CYS C . 17403 1
78 . 1 1 9 9 CYS CA C 13 58.709 0.04 . 1 . 465 . . 4 CYS CA . 17403 1
79 . 1 1 9 9 CYS CB C 13 27.697 0.05 . 1 . 464 . . 4 CYS CB . 17403 1
80 . 1 1 9 9 CYS N N 15 120.200 0.028 . 1 . 18 . . 4 CYS N . 17403 1
81 . 1 1 10 10 HIS H H 1 8.353 0.005 . 1 . 1647 . . 5 HIS H . 17403 1
82 . 1 1 10 10 HIS HA H 1 4.696 0.003 . 1 . 829 . . 5 HIS HA . 17403 1
83 . 1 1 10 10 HIS HB2 H 1 3.102 0.002 . 2 . 827 . . 5 HIS HB2 . 17403 1
84 . 1 1 10 10 HIS HB3 H 1 3.237 0.003 . 2 . 828 . . 5 HIS HB3 . 17403 1
85 . 1 1 10 10 HIS HD2 H 1 7.201 0.005 . 1 . 1092 . . 5 HIS HD2 . 17403 1
86 . 1 1 10 10 HIS HE1 H 1 8.412 0.003 . 1 . 1094 . . 5 HIS HE1 . 17403 1
87 . 1 1 10 10 HIS C C 13 174.226 . . 1 . 557 . . 5 HIS C . 17403 1
88 . 1 1 10 10 HIS CA C 13 55.403 0.046 . 1 . 366 . . 5 HIS CA . 17403 1
89 . 1 1 10 10 HIS CB C 13 29.430 0.044 . 1 . 365 . . 5 HIS CB . 17403 1
90 . 1 1 10 10 HIS CD2 C 13 119.963 0.071 . 1 . 1093 . . 5 HIS CD2 . 17403 1
91 . 1 1 10 10 HIS CE1 C 13 136.872 0.018 . 1 . 1095 . . 5 HIS CE1 . 17403 1
92 . 1 1 10 10 HIS N N 15 121.037 0.022 . 1 . 249 . . 5 HIS N . 17403 1
93 . 1 1 10 10 HIS ND1 N 15 186.119 0.016 . 1 . 1639 . . 5 HIS ND1 . 17403 1
94 . 1 1 10 10 HIS NE2 N 15 175.957 0.004 . 1 . 1638 . . 5 HIS NE2 . 17403 1
95 . 1 1 11 11 LYS H H 1 8.237 0.005 . 1 . 120 . . 6 LYS H . 17403 1
96 . 1 1 11 11 LYS HA H 1 4.275 0.003 . 1 . 749 . . 6 LYS HA . 17403 1
97 . 1 1 11 11 LYS HB2 H 1 1.699 0.013 . 2 . 831 . . 6 LYS HB2 . 17403 1
98 . 1 1 11 11 LYS HB3 H 1 1.753 0.014 . 2 . 830 . . 6 LYS HB3 . 17403 1
99 . 1 1 11 11 LYS HG2 H 1 1.336 0.007 . 2 . 1339 . . 6 LYS HG2 . 17403 1
100 . 1 1 11 11 LYS HG3 H 1 1.365 0.015 . 2 . 1338 . . 6 LYS HG3 . 17403 1
101 . 1 1 11 11 LYS HD2 H 1 1.602 0.01 . 2 . 1343 . . 6 LYS HD2 . 17403 1
102 . 1 1 11 11 LYS HD3 H 1 1.550 0.009 . 2 . 1342 . . 6 LYS HD3 . 17403 1
103 . 1 1 11 11 LYS HE2 H 1 2.953 0.011 . 2 . 1345 . . 6 LYS HE2 . 17403 1
104 . 1 1 11 11 LYS HE3 H 1 2.899 0.002 . 2 . 1344 . . 6 LYS HE3 . 17403 1
105 . 1 1 11 11 LYS C C 13 175.963 . . 1 . 571 . . 6 LYS C . 17403 1
106 . 1 1 11 11 LYS CA C 13 56.282 0.058 . 1 . 1139 . . 6 LYS CA . 17403 1
107 . 1 1 11 11 LYS CB C 13 33.086 0.033 . 1 . 407 . . 6 LYS CB . 17403 1
108 . 1 1 11 11 LYS CG C 13 24.637 0.033 . 1 . 1340 . . 6 LYS CG . 17403 1
109 . 1 1 11 11 LYS CD C 13 29.173 0.032 . 1 . 1341 . . 6 LYS CD . 17403 1
110 . 1 1 11 11 LYS CE C 13 42.002 0.046 . 1 . 1346 . . 6 LYS CE . 17403 1
111 . 1 1 11 11 LYS N N 15 123.192 0.018 . 1 . 121 . . 6 LYS N . 17403 1
112 . 1 1 12 12 ILE H H 1 8.017 0.009 . 1 . 181 . . 7 ILE H . 17403 1
113 . 1 1 12 12 ILE HA H 1 3.898 0.006 . 1 . 724 . . 7 ILE HA . 17403 1
114 . 1 1 12 12 ILE HB H 1 1.427 0.003 . 1 . 1267 . . 7 ILE HB . 17403 1
115 . 1 1 12 12 ILE HG12 H 1 1.268 0.002 . 2 . 1270 . . 7 ILE HG12 . 17403 1
116 . 1 1 12 12 ILE HG13 H 1 0.944 0.002 . 2 . 1269 . . 7 ILE HG13 . 17403 1
117 . 1 1 12 12 ILE HG21 H 1 0.394 0.002 . 1 . 1268 . . 7 ILE HG21 . 17403 1
118 . 1 1 12 12 ILE HG22 H 1 0.394 0.002 . 1 . 1268 . . 7 ILE HG22 . 17403 1
119 . 1 1 12 12 ILE HG23 H 1 0.394 0.002 . 1 . 1268 . . 7 ILE HG23 . 17403 1
120 . 1 1 12 12 ILE HD11 H 1 0.728 0.003 . 1 . 1274 . . 7 ILE HD11 . 17403 1
121 . 1 1 12 12 ILE HD12 H 1 0.728 0.003 . 1 . 1274 . . 7 ILE HD12 . 17403 1
122 . 1 1 12 12 ILE HD13 H 1 0.728 0.003 . 1 . 1274 . . 7 ILE HD13 . 17403 1
123 . 1 1 12 12 ILE C C 13 174.374 . . 1 . 555 . . 7 ILE C . 17403 1
124 . 1 1 12 12 ILE CA C 13 60.521 0.045 . 1 . 436 . . 7 ILE CA . 17403 1
125 . 1 1 12 12 ILE CB C 13 39.297 0.03 . 1 . 435 . . 7 ILE CB . 17403 1
126 . 1 1 12 12 ILE CG1 C 13 27.484 0.035 . 1 . 1272 . . 7 ILE CG1 . 17403 1
127 . 1 1 12 12 ILE CG2 C 13 17.092 0.026 . 1 . 1271 . . 7 ILE CG2 . 17403 1
128 . 1 1 12 12 ILE CD1 C 13 12.857 0.034 . 1 . 1273 . . 7 ILE CD1 . 17403 1
129 . 1 1 12 12 ILE N N 15 123.514 0.032 . 1 . 182 . . 7 ILE N . 17403 1
130 . 1 1 13 13 ASP H H 1 8.225 0.009 . 1 . 220 . . 8 ASP H . 17403 1
131 . 1 1 13 13 ASP HA H 1 4.704 0.01 . 1 . 796 . . 8 ASP HA . 17403 1
132 . 1 1 13 13 ASP HB2 H 1 2.949 0.004 . 2 . 832 . . 8 ASP HB2 . 17403 1
133 . 1 1 13 13 ASP HB3 H 1 2.621 0.004 . 2 . 1175 . . 8 ASP HB3 . 17403 1
134 . 1 1 13 13 ASP C C 13 177.212 . . 1 . 668 . . 8 ASP C . 17403 1
135 . 1 1 13 13 ASP CA C 13 52.675 0.042 . 1 . 444 . . 8 ASP CA . 17403 1
136 . 1 1 13 13 ASP CB C 13 41.477 0.025 . 1 . 443 . . 8 ASP CB . 17403 1
137 . 1 1 13 13 ASP N N 15 123.918 0.02 . 1 . 221 . . 8 ASP N . 17403 1
138 . 1 1 14 14 TYR H H 1 8.519 0.003 . 1 . 229 . . 9 TYR H . 17403 1
139 . 1 1 14 14 TYR HA H 1 4.531 0.015 . 1 . 750 . . 9 TYR HA . 17403 1
140 . 1 1 14 14 TYR HB2 H 1 3.123 0.005 . 2 . 833 . . 9 TYR HB2 . 17403 1
141 . 1 1 14 14 TYR HB3 H 1 3.272 0.006 . 2 . 834 . . 9 TYR HB3 . 17403 1
142 . 1 1 14 14 TYR HD1 H 1 7.196 0.005 . 3 . 1056 . . 9 TYR HD1 . 17403 1
143 . 1 1 14 14 TYR HD2 H 1 7.196 0.005 . 3 . 1056 . . 9 TYR HD2 . 17403 1
144 . 1 1 14 14 TYR HE1 H 1 6.816 0.002 . 3 . 1068 . . 9 TYR HE1 . 17403 1
145 . 1 1 14 14 TYR HE2 H 1 6.816 0.002 . 3 . 1068 . . 9 TYR HE2 . 17403 1
146 . 1 1 14 14 TYR HH H 1 8.021 0.003 . 1 . 1695 . . 9 TYR HH . 17403 1
147 . 1 1 14 14 TYR C C 13 178.532 . . 1 . 542 . . 9 TYR C . 17403 1
148 . 1 1 14 14 TYR CA C 13 61.104 0.054 . 1 . 475 . . 9 TYR CA . 17403 1
149 . 1 1 14 14 TYR CB C 13 36.817 0.039 . 1 . 474 . . 9 TYR CB . 17403 1
150 . 1 1 14 14 TYR CD1 C 13 132.615 0.047 . 3 . 1057 . . 9 TYR CD1 . 17403 1
151 . 1 1 14 14 TYR CD2 C 13 132.615 0.047 . 3 . 1057 . . 9 TYR CD2 . 17403 1
152 . 1 1 14 14 TYR CE1 C 13 118.535 0.027 . 3 . 1069 . . 9 TYR CE1 . 17403 1
153 . 1 1 14 14 TYR CE2 C 13 118.535 0.027 . 3 . 1069 . . 9 TYR CE2 . 17403 1
154 . 1 1 14 14 TYR N N 15 125.966 0.024 . 1 . 230 . . 9 TYR N . 17403 1
155 . 1 1 15 15 GLY H H 1 8.896 0.002 . 1 . 263 . . 10 GLY H . 17403 1
156 . 1 1 15 15 GLY HA2 H 1 3.913 0.016 . 2 . 755 . . 10 GLY HA2 . 17403 1
157 . 1 1 15 15 GLY HA3 H 1 4.597 0.011 . 2 . 527 . . 10 GLY HA3 . 17403 1
158 . 1 1 15 15 GLY C C 13 176.553 . . 1 . 545 . . 10 GLY C . 17403 1
159 . 1 1 15 15 GLY CA C 13 47.569 0.033 . 1 . 472 . . 10 GLY CA . 17403 1
160 . 1 1 15 15 GLY N N 15 107.864 0.029 . 1 . 264 . . 10 GLY N . 17403 1
161 . 1 1 16 16 LEU H H 1 8.273 0.007 . 1 . 259 . . 11 LEU H . 17403 1
162 . 1 1 16 16 LEU HA H 1 4.146 0.004 . 1 . 802 . . 11 LEU HA . 17403 1
163 . 1 1 16 16 LEU HB2 H 1 1.595 0.011 . 2 . 835 . . 11 LEU HB2 . 17403 1
164 . 1 1 16 16 LEU HB3 H 1 2.104 0.013 . 2 . 836 . . 11 LEU HB3 . 17403 1
165 . 1 1 16 16 LEU HG H 1 1.821 0.005 . 1 . 1358 . . 11 LEU HG . 17403 1
166 . 1 1 16 16 LEU HD11 H 1 1.018 0.02 . 2 . 1361 . . 11 LEU HD11 . 17403 1
167 . 1 1 16 16 LEU HD12 H 1 1.018 0.02 . 2 . 1361 . . 11 LEU HD12 . 17403 1
168 . 1 1 16 16 LEU HD13 H 1 1.018 0.02 . 2 . 1361 . . 11 LEU HD13 . 17403 1
169 . 1 1 16 16 LEU HD21 H 1 0.971 0.019 . 2 . 1360 . . 11 LEU HD21 . 17403 1
170 . 1 1 16 16 LEU HD22 H 1 0.971 0.019 . 2 . 1360 . . 11 LEU HD22 . 17403 1
171 . 1 1 16 16 LEU HD23 H 1 0.971 0.019 . 2 . 1360 . . 11 LEU HD23 . 17403 1
172 . 1 1 16 16 LEU C C 13 178.138 . . 1 . 585 . . 11 LEU C . 17403 1
173 . 1 1 16 16 LEU CA C 13 58.095 0.063 . 1 . 477 . . 11 LEU CA . 17403 1
174 . 1 1 16 16 LEU CB C 13 41.428 0.027 . 1 . 476 . . 11 LEU CB . 17403 1
175 . 1 1 16 16 LEU CG C 13 26.976 0.041 . 1 . 1359 . . 11 LEU CG . 17403 1
176 . 1 1 16 16 LEU CD1 C 13 26.168 0.035 . 2 . 1362 . . 11 LEU CD1 . 17403 1
177 . 1 1 16 16 LEU CD2 C 13 23.258 0.019 . 2 . 1363 . . 11 LEU CD2 . 17403 1
178 . 1 1 16 16 LEU N N 15 127.671 0.014 . 1 . 260 . . 11 LEU N . 17403 1
179 . 1 1 17 17 TYR H H 1 7.868 0.004 . 1 . 265 . . 12 TYR H . 17403 1
180 . 1 1 17 17 TYR HA H 1 4.915 0.006 . 1 . 730 . . 12 TYR HA . 17403 1
181 . 1 1 17 17 TYR HB2 H 1 3.136 0.006 . 2 . 837 . . 12 TYR HB2 . 17403 1
182 . 1 1 17 17 TYR HB3 H 1 3.463 0.004 . 2 . 838 . . 12 TYR HB3 . 17403 1
183 . 1 1 17 17 TYR HD1 H 1 7.311 0.008 . 3 . 1062 . . 12 TYR HD1 . 17403 1
184 . 1 1 17 17 TYR HD2 H 1 7.311 0.008 . 3 . 1062 . . 12 TYR HD2 . 17403 1
185 . 1 1 17 17 TYR HE1 H 1 6.955 0.013 . 3 . 1064 . . 12 TYR HE1 . 17403 1
186 . 1 1 17 17 TYR HE2 H 1 6.955 0.013 . 3 . 1064 . . 12 TYR HE2 . 17403 1
187 . 1 1 17 17 TYR C C 13 177.494 . . 1 . 670 . . 12 TYR C . 17403 1
188 . 1 1 17 17 TYR CA C 13 58.747 0.078 . 1 . 393 . . 12 TYR CA . 17403 1
189 . 1 1 17 17 TYR CB C 13 38.295 0.039 . 1 . 392 . . 12 TYR CB . 17403 1
190 . 1 1 17 17 TYR CD1 C 13 132.856 0.013 . 3 . 1063 . . 12 TYR CD1 . 17403 1
191 . 1 1 17 17 TYR CD2 C 13 132.856 0.013 . 3 . 1063 . . 12 TYR CD2 . 17403 1
192 . 1 1 17 17 TYR CE1 C 13 118.381 0.017 . 3 . 1065 . . 12 TYR CE1 . 17403 1
193 . 1 1 17 17 TYR CE2 C 13 118.381 0.017 . 3 . 1065 . . 12 TYR CE2 . 17403 1
194 . 1 1 17 17 TYR N N 15 119.362 0.023 . 1 . 266 . . 12 TYR N . 17403 1
195 . 1 1 18 18 ALA H H 1 8.642 0.005 . 1 . 156 . . 13 ALA H . 17403 1
196 . 1 1 18 18 ALA HA H 1 3.874 0.01 . 1 . 840 . . 13 ALA HA . 17403 1
197 . 1 1 18 18 ALA HB1 H 1 1.719 0.007 . 1 . 839 . . 13 ALA HB1 . 17403 1
198 . 1 1 18 18 ALA HB2 H 1 1.719 0.007 . 1 . 839 . . 13 ALA HB2 . 17403 1
199 . 1 1 18 18 ALA HB3 H 1 1.719 0.007 . 1 . 839 . . 13 ALA HB3 . 17403 1
200 . 1 1 18 18 ALA C C 13 179.469 . . 1 . 567 . . 13 ALA C . 17403 1
201 . 1 1 18 18 ALA CA C 13 55.310 0.032 . 1 . 468 . . 13 ALA CA . 17403 1
202 . 1 1 18 18 ALA CB C 13 19.210 0.03 . 1 . 469 . . 13 ALA CB . 17403 1
203 . 1 1 18 18 ALA N N 15 118.184 0.025 . 1 . 157 . . 13 ALA N . 17403 1
204 . 1 1 19 19 LEU H H 1 8.018 0.006 . 1 . 252 . . 14 LEU H . 17403 1
205 . 1 1 19 19 LEU HA H 1 4.064 0.003 . 1 . 799 . . 14 LEU HA . 17403 1
206 . 1 1 19 19 LEU HB2 H 1 1.458 0.011 . 2 . 841 . . 14 LEU HB2 . 17403 1
207 . 1 1 19 19 LEU HB3 H 1 1.918 0.005 . 2 . 842 . . 14 LEU HB3 . 17403 1
208 . 1 1 19 19 LEU HG H 1 1.251 0.005 . 1 . 1364 . . 14 LEU HG . 17403 1
209 . 1 1 19 19 LEU HD11 H 1 0.181 0.005 . 2 . 1366 . . 14 LEU HD11 . 17403 1
210 . 1 1 19 19 LEU HD12 H 1 0.181 0.005 . 2 . 1366 . . 14 LEU HD12 . 17403 1
211 . 1 1 19 19 LEU HD13 H 1 0.181 0.005 . 2 . 1366 . . 14 LEU HD13 . 17403 1
212 . 1 1 19 19 LEU HD21 H 1 0.104 0.004 . 2 . 1367 . . 14 LEU HD21 . 17403 1
213 . 1 1 19 19 LEU HD22 H 1 0.104 0.004 . 2 . 1367 . . 14 LEU HD22 . 17403 1
214 . 1 1 19 19 LEU HD23 H 1 0.104 0.004 . 2 . 1367 . . 14 LEU HD23 . 17403 1
215 . 1 1 19 19 LEU C C 13 177.395 . . 1 . 587 . . 14 LEU C . 17403 1
216 . 1 1 19 19 LEU CA C 13 58.292 0.041 . 1 . 710 . . 14 LEU CA . 17403 1
217 . 1 1 19 19 LEU CB C 13 41.200 0.036 . 1 . 709 . . 14 LEU CB . 17403 1
218 . 1 1 19 19 LEU CG C 13 26.625 0.031 . 1 . 1365 . . 14 LEU CG . 17403 1
219 . 1 1 19 19 LEU CD1 C 13 25.656 0.028 . 2 . 1368 . . 14 LEU CD1 . 17403 1
220 . 1 1 19 19 LEU CD2 C 13 22.601 0.013 . 2 . 1691 . . 14 LEU CD2 . 17403 1
221 . 1 1 19 19 LEU N N 15 116.932 0.021 . 1 . 253 . . 14 LEU N . 17403 1
222 . 1 1 20 20 GLU H H 1 8.061 0.014 . 1 . 60 . . 15 GLU H . 17403 1
223 . 1 1 20 20 GLU HA H 1 3.813 0.005 . 1 . 1516 . . 15 GLU HA . 17403 1
224 . 1 1 20 20 GLU HB2 H 1 2.372 0.018 . 2 . 1518 . . 15 GLU HB2 . 17403 1
225 . 1 1 20 20 GLU HB3 H 1 2.315 0.015 . 2 . 1517 . . 15 GLU HB3 . 17403 1
226 . 1 1 20 20 GLU HG2 H 1 2.480 0.005 . 2 . 1520 . . 15 GLU HG2 . 17403 1
227 . 1 1 20 20 GLU HG3 H 1 2.062 0.004 . 2 . 1576 . . 15 GLU HG3 . 17403 1
228 . 1 1 20 20 GLU C C 13 179.135 . . 1 . 589 . . 15 GLU C . 17403 1
229 . 1 1 20 20 GLU CA C 13 60.545 0.044 . 1 . 685 . . 15 GLU CA . 17403 1
230 . 1 1 20 20 GLU CB C 13 29.978 0.039 . 1 . 1519 . . 15 GLU CB . 17403 1
231 . 1 1 20 20 GLU CG C 13 36.420 0.038 . 1 . 1577 . . 15 GLU CG . 17403 1
232 . 1 1 20 20 GLU N N 15 118.195 0.031 . 1 . 61 . . 15 GLU N . 17403 1
233 . 1 1 21 21 ILE H H 1 8.051 0.014 . 1 . 114 . . 16 ILE H . 17403 1
234 . 1 1 21 21 ILE HA H 1 3.709 0.015 . 1 . 844 . . 16 ILE HA . 17403 1
235 . 1 1 21 21 ILE HB H 1 1.625 0.003 . 1 . 843 . . 16 ILE HB . 17403 1
236 . 1 1 21 21 ILE HG12 H 1 0.908 0.008 . 2 . 1276 . . 16 ILE HG12 . 17403 1
237 . 1 1 21 21 ILE HG13 H 1 1.022 0.014 . 2 . 1277 . . 16 ILE HG13 . 17403 1
238 . 1 1 21 21 ILE HG21 H 1 0.468 0.009 . 1 . 1275 . . 16 ILE HG21 . 17403 1
239 . 1 1 21 21 ILE HG22 H 1 0.468 0.009 . 1 . 1275 . . 16 ILE HG22 . 17403 1
240 . 1 1 21 21 ILE HG23 H 1 0.468 0.009 . 1 . 1275 . . 16 ILE HG23 . 17403 1
241 . 1 1 21 21 ILE HD11 H 1 0.198 0.006 . 1 . 1280 . . 16 ILE HD11 . 17403 1
242 . 1 1 21 21 ILE HD12 H 1 0.198 0.006 . 1 . 1280 . . 16 ILE HD12 . 17403 1
243 . 1 1 21 21 ILE HD13 H 1 0.198 0.006 . 1 . 1280 . . 16 ILE HD13 . 17403 1
244 . 1 1 21 21 ILE C C 13 179.276 . . 1 . 666 . . 16 ILE C . 17403 1
245 . 1 1 21 21 ILE CA C 13 63.706 0.073 . 1 . 681 . . 16 ILE CA . 17403 1
246 . 1 1 21 21 ILE CB C 13 37.481 0.052 . 1 . 682 . . 16 ILE CB . 17403 1
247 . 1 1 21 21 ILE CG1 C 13 27.254 0.027 . 1 . 1279 . . 16 ILE CG1 . 17403 1
248 . 1 1 21 21 ILE CG2 C 13 17.530 0.052 . 1 . 1278 . . 16 ILE CG2 . 17403 1
249 . 1 1 21 21 ILE CD1 C 13 12.069 0.013 . 1 . 1281 . . 16 ILE CD1 . 17403 1
250 . 1 1 21 21 ILE N N 15 118.474 0.101 . 1 . 115 . . 16 ILE N . 17403 1
251 . 1 1 22 22 LEU H H 1 8.669 0.011 . 1 . 29 . . 17 LEU H . 17403 1
252 . 1 1 22 22 LEU HA H 1 4.067 0.016 . 1 . 812 . . 17 LEU HA . 17403 1
253 . 1 1 22 22 LEU HB2 H 1 1.309 0.005 . 2 . 845 . . 17 LEU HB2 . 17403 1
254 . 1 1 22 22 LEU HB3 H 1 2.059 0.013 . 2 . 846 . . 17 LEU HB3 . 17403 1
255 . 1 1 22 22 LEU HG H 1 1.878 0.017 . 1 . 1369 . . 17 LEU HG . 17403 1
256 . 1 1 22 22 LEU HD11 H 1 0.775 0.014 . 2 . 1372 . . 17 LEU HD11 . 17403 1
257 . 1 1 22 22 LEU HD12 H 1 0.775 0.014 . 2 . 1372 . . 17 LEU HD12 . 17403 1
258 . 1 1 22 22 LEU HD13 H 1 0.775 0.014 . 2 . 1372 . . 17 LEU HD13 . 17403 1
259 . 1 1 22 22 LEU HD21 H 1 1.007 0.012 . 2 . 1371 . . 17 LEU HD21 . 17403 1
260 . 1 1 22 22 LEU HD22 H 1 1.007 0.012 . 2 . 1371 . . 17 LEU HD22 . 17403 1
261 . 1 1 22 22 LEU HD23 H 1 1.007 0.012 . 2 . 1371 . . 17 LEU HD23 . 17403 1
262 . 1 1 22 22 LEU C C 13 178.730 . . 1 . 597 . . 17 LEU C . 17403 1
263 . 1 1 22 22 LEU CA C 13 58.050 0.089 . 1 . 536 . . 17 LEU CA . 17403 1
264 . 1 1 22 22 LEU CB C 13 41.859 0.045 . 1 . 339 . . 17 LEU CB . 17403 1
265 . 1 1 22 22 LEU CG C 13 27.561 0.05 . 1 . 1370 . . 17 LEU CG . 17403 1
266 . 1 1 22 22 LEU CD1 C 13 22.551 0.035 . 2 . 1374 . . 17 LEU CD1 . 17403 1
267 . 1 1 22 22 LEU CD2 C 13 26.166 0.023 . 2 . 1373 . . 17 LEU CD2 . 17403 1
268 . 1 1 22 22 LEU N N 15 120.991 0.04 . 1 . 30 . . 17 LEU N . 17403 1
269 . 1 1 23 23 ALA H H 1 8.829 0.007 . 1 . 75 . . 18 ALA H . 17403 1
270 . 1 1 23 23 ALA HA H 1 3.967 0.013 . 1 . 738 . . 18 ALA HA . 17403 1
271 . 1 1 23 23 ALA HB1 H 1 1.386 0.003 . 1 . 847 . . 18 ALA HB1 . 17403 1
272 . 1 1 23 23 ALA HB2 H 1 1.386 0.003 . 1 . 847 . . 18 ALA HB2 . 17403 1
273 . 1 1 23 23 ALA HB3 H 1 1.386 0.003 . 1 . 847 . . 18 ALA HB3 . 17403 1
274 . 1 1 23 23 ALA C C 13 179.770 . . 1 . 549 . . 18 ALA C . 17403 1
275 . 1 1 23 23 ALA CA C 13 55.890 0.054 . 1 . 305 . . 18 ALA CA . 17403 1
276 . 1 1 23 23 ALA CB C 13 17.834 0.026 . 1 . 304 . . 18 ALA CB . 17403 1
277 . 1 1 23 23 ALA N N 15 121.341 0.027 . 1 . 76 . . 18 ALA N . 17403 1
278 . 1 1 24 24 GLN H H 1 7.746 0.004 . 1 . 9 . . 19 GLN H . 17403 1
279 . 1 1 24 24 GLN HA H 1 4.120 0.011 . 1 . 808 . . 19 GLN HA . 17403 1
280 . 1 1 24 24 GLN HB2 H 1 2.292 0.008 . 2 . 849 . . 19 GLN HB2 . 17403 1
281 . 1 1 24 24 GLN HB3 H 1 2.164 0.003 . 2 . 848 . . 19 GLN HB3 . 17403 1
282 . 1 1 24 24 GLN HG2 H 1 2.399 0.003 . 2 . 1146 . . 19 GLN HG2 . 17403 1
283 . 1 1 24 24 GLN HG3 H 1 2.576 0.002 . 2 . 1147 . . 19 GLN HG3 . 17403 1
284 . 1 1 24 24 GLN HE21 H 1 7.360 0.003 . 1 . 169 . . 19 GLN HE21 . 17403 1
285 . 1 1 24 24 GLN HE22 H 1 6.779 0.004 . 1 . 212 . . 19 GLN HE22 . 17403 1
286 . 1 1 24 24 GLN C C 13 180.281 . . 1 . 593 . . 19 GLN C . 17403 1
287 . 1 1 24 24 GLN CA C 13 59.077 0.045 . 1 . 713 . . 19 GLN CA . 17403 1
288 . 1 1 24 24 GLN CB C 13 28.117 0.051 . 1 . 379 . . 19 GLN CB . 17403 1
289 . 1 1 24 24 GLN CG C 13 34.165 0.029 . 1 . 1148 . . 19 GLN CG . 17403 1
290 . 1 1 24 24 GLN N N 15 117.098 0.049 . 1 . 10 . . 19 GLN N . 17403 1
291 . 1 1 24 24 GLN NE2 N 15 110.961 0.035 . 1 . 170 . . 19 GLN NE2 . 17403 1
292 . 1 1 25 25 TYR H H 1 8.073 0.005 . 1 . 138 . . 20 TYR H . 17403 1
293 . 1 1 25 25 TYR HA H 1 3.994 0.003 . 1 . 852 . . 20 TYR HA . 17403 1
294 . 1 1 25 25 TYR HB2 H 1 3.063 0.016 . 2 . 851 . . 20 TYR HB2 . 17403 1
295 . 1 1 25 25 TYR HB3 H 1 3.028 0.018 . 2 . 850 . . 20 TYR HB3 . 17403 1
296 . 1 1 25 25 TYR HD1 H 1 6.504 0.005 . 3 . 1058 . . 20 TYR HD1 . 17403 1
297 . 1 1 25 25 TYR HD2 H 1 6.504 0.005 . 3 . 1058 . . 20 TYR HD2 . 17403 1
298 . 1 1 25 25 TYR HE1 H 1 6.603 0.003 . 3 . 1071 . . 20 TYR HE1 . 17403 1
299 . 1 1 25 25 TYR HE2 H 1 6.603 0.003 . 3 . 1071 . . 20 TYR HE2 . 17403 1
300 . 1 1 25 25 TYR HH H 1 6.977 . . 1 . 1678 . . 20 TYR HH . 17403 1
301 . 1 1 25 25 TYR C C 13 176.433 . . 1 . 596 . . 20 TYR C . 17403 1
302 . 1 1 25 25 TYR CA C 13 61.312 0.064 . 1 . 487 . . 20 TYR CA . 17403 1
303 . 1 1 25 25 TYR CB C 13 38.076 0.057 . 1 . 486 . . 20 TYR CB . 17403 1
304 . 1 1 25 25 TYR CD1 C 13 132.613 0.013 . 3 . 1059 . . 20 TYR CD1 . 17403 1
305 . 1 1 25 25 TYR CD2 C 13 132.613 0.013 . 3 . 1059 . . 20 TYR CD2 . 17403 1
306 . 1 1 25 25 TYR CE1 C 13 118.043 0.018 . 3 . 1070 . . 20 TYR CE1 . 17403 1
307 . 1 1 25 25 TYR CE2 C 13 118.043 0.018 . 3 . 1070 . . 20 TYR CE2 . 17403 1
308 . 1 1 25 25 TYR N N 15 121.600 0.049 . 1 . 139 . . 20 TYR N . 17403 1
309 . 1 1 26 26 HIS H H 1 7.546 0.002 . 1 . 1618 . . 21 HIS H . 17403 1
310 . 1 1 26 26 HIS HA H 1 4.366 0.015 . 1 . 794 . . 21 HIS HA . 17403 1
311 . 1 1 26 26 HIS HB2 H 1 2.767 0.006 . 2 . 853 . . 21 HIS HB2 . 17403 1
312 . 1 1 26 26 HIS HB3 H 1 3.419 0.004 . 2 . 854 . . 21 HIS HB3 . 17403 1
313 . 1 1 26 26 HIS HD2 H 1 7.185 0.011 . 1 . 1617 . . 21 HIS HD2 . 17403 1
314 . 1 1 26 26 HIS HE1 H 1 7.965 0.004 . 1 . 1629 . . 21 HIS HE1 . 17403 1
315 . 1 1 26 26 HIS C C 13 173.351 0.0 . 1 . 581 . . 21 HIS C . 17403 1
316 . 1 1 26 26 HIS CA C 13 56.987 0.06 . 1 . 1620 . . 21 HIS CA . 17403 1
317 . 1 1 26 26 HIS CB C 13 31.020 0.034 . 1 . 333 . . 21 HIS CB . 17403 1
318 . 1 1 26 26 HIS CD2 C 13 118.261 0.021 . 1 . 1616 . . 21 HIS CD2 . 17403 1
319 . 1 1 26 26 HIS CE1 C 13 138.830 0.001 . 1 . 1628 . . 21 HIS CE1 . 17403 1
320 . 1 1 26 26 HIS N N 15 115.282 0.022 . 1 . 1619 . . 21 HIS N . 17403 1
321 . 1 1 26 26 HIS ND1 N 15 234.471 . . 1 . 1643 . . 21 HIS ND1 . 17403 1
322 . 1 1 26 26 HIS NE2 N 15 170.453 0.0 . 1 . 1642 . . 21 HIS NE2 . 17403 1
323 . 1 1 27 27 ASN H H 1 7.959 0.002 . 1 . 66 . . 22 ASN H . 17403 1
324 . 1 1 27 27 ASN HA H 1 4.329 0.021 . 1 . 813 . . 22 ASN HA . 17403 1
325 . 1 1 27 27 ASN HB2 H 1 3.105 0.004 . 2 . 855 . . 22 ASN HB2 . 17403 1
326 . 1 1 27 27 ASN HB3 H 1 2.784 0.002 . 2 . 870 . . 22 ASN HB3 . 17403 1
327 . 1 1 27 27 ASN HD21 H 1 6.759 0.005 . 1 . 102 . . 22 ASN HD21 . 17403 1
328 . 1 1 27 27 ASN HD22 H 1 7.439 0.001 . 1 . 168 . . 22 ASN HD22 . 17403 1
329 . 1 1 27 27 ASN C C 13 174.040 . . 1 . 631 . . 22 ASN C . 17403 1
330 . 1 1 27 27 ASN CA C 13 54.577 0.043 . 1 . 430 . . 22 ASN CA . 17403 1
331 . 1 1 27 27 ASN CB C 13 37.274 0.042 . 1 . 429 . . 22 ASN CB . 17403 1
332 . 1 1 27 27 ASN N N 15 115.161 0.032 . 1 . 67 . . 22 ASN N . 17403 1
333 . 1 1 27 27 ASN ND2 N 15 112.566 0.03 . 1 . 103 . . 22 ASN ND2 . 17403 1
334 . 1 1 28 28 VAL H H 1 8.260 0.006 . 1 . 213 . . 23 VAL H . 17403 1
335 . 1 1 28 28 VAL HA H 1 4.379 0.004 . 1 . 740 . . 23 VAL HA . 17403 1
336 . 1 1 28 28 VAL HB H 1 1.999 0.002 . 1 . 856 . . 23 VAL HB . 17403 1
337 . 1 1 28 28 VAL HG11 H 1 0.954 0.012 . 2 . 1221 . . 23 VAL HG11 . 17403 1
338 . 1 1 28 28 VAL HG12 H 1 0.954 0.012 . 2 . 1221 . . 23 VAL HG12 . 17403 1
339 . 1 1 28 28 VAL HG13 H 1 0.954 0.012 . 2 . 1221 . . 23 VAL HG13 . 17403 1
340 . 1 1 28 28 VAL HG21 H 1 0.906 0.012 . 2 . 1220 . . 23 VAL HG21 . 17403 1
341 . 1 1 28 28 VAL HG22 H 1 0.906 0.012 . 2 . 1220 . . 23 VAL HG22 . 17403 1
342 . 1 1 28 28 VAL HG23 H 1 0.906 0.012 . 2 . 1220 . . 23 VAL HG23 . 17403 1
343 . 1 1 28 28 VAL C C 13 175.227 . . 1 . 636 . . 23 VAL C . 17403 1
344 . 1 1 28 28 VAL CA C 13 60.963 0.045 . 1 . 502 . . 23 VAL CA . 17403 1
345 . 1 1 28 28 VAL CB C 13 34.029 0.039 . 1 . 501 . . 23 VAL CB . 17403 1
346 . 1 1 28 28 VAL CG1 C 13 21.841 0.025 . 2 . 1223 . . 23 VAL CG1 . 17403 1
347 . 1 1 28 28 VAL CG2 C 13 20.754 0.028 . 2 . 1222 . . 23 VAL CG2 . 17403 1
348 . 1 1 28 28 VAL N N 15 117.517 0.026 . 1 . 214 . . 23 VAL N . 17403 1
349 . 1 1 29 29 SER H H 1 8.366 0.005 . 1 . 291 . . 24 SER H . 17403 1
350 . 1 1 29 29 SER HA H 1 4.436 0.014 . 1 . 770 . . 24 SER HA . 17403 1
351 . 1 1 29 29 SER HB2 H 1 3.784 0.017 . 2 . 1443 . . 24 SER HB2 . 17403 1
352 . 1 1 29 29 SER HB3 H 1 3.755 0.02 . 2 . 857 . . 24 SER HB3 . 17403 1
353 . 1 1 29 29 SER C C 13 173.452 . . 1 . 599 . . 24 SER C . 17403 1
354 . 1 1 29 29 SER CA C 13 58.148 0.067 . 1 . 418 . . 24 SER CA . 17403 1
355 . 1 1 29 29 SER CB C 13 63.625 0.059 . 1 . 419 . . 24 SER CB . 17403 1
356 . 1 1 29 29 SER N N 15 120.413 0.024 . 1 . 290 . . 24 SER N . 17403 1
357 . 1 1 30 30 VAL H H 1 8.258 0.005 . 1 . 195 . . 25 VAL H . 17403 1
358 . 1 1 30 30 VAL HA H 1 4.252 0.003 . 1 . 764 . . 25 VAL HA . 17403 1
359 . 1 1 30 30 VAL HB H 1 1.913 0.005 . 1 . 858 . . 25 VAL HB . 17403 1
360 . 1 1 30 30 VAL HG11 H 1 0.741 0.012 . 2 . 1107 . . 25 VAL HG11 . 17403 1
361 . 1 1 30 30 VAL HG12 H 1 0.741 0.012 . 2 . 1107 . . 25 VAL HG12 . 17403 1
362 . 1 1 30 30 VAL HG13 H 1 0.741 0.012 . 2 . 1107 . . 25 VAL HG13 . 17403 1
363 . 1 1 30 30 VAL HG21 H 1 0.824 0.01 . 2 . 1106 . . 25 VAL HG21 . 17403 1
364 . 1 1 30 30 VAL HG22 H 1 0.824 0.01 . 2 . 1106 . . 25 VAL HG22 . 17403 1
365 . 1 1 30 30 VAL HG23 H 1 0.824 0.01 . 2 . 1106 . . 25 VAL HG23 . 17403 1
366 . 1 1 30 30 VAL C C 13 172.922 . . 1 . 611 . . 25 VAL C . 17403 1
367 . 1 1 30 30 VAL CA C 13 60.290 0.05 . 1 . 352 . . 25 VAL CA . 17403 1
368 . 1 1 30 30 VAL CB C 13 34.258 0.025 . 1 . 351 . . 25 VAL CB . 17403 1
369 . 1 1 30 30 VAL CG1 C 13 22.775 0.024 . 2 . 1350 . . 25 VAL CG1 . 17403 1
370 . 1 1 30 30 VAL CG2 C 13 20.326 0.019 . 2 . 1105 . . 25 VAL CG2 . 17403 1
371 . 1 1 30 30 VAL N N 15 121.723 0.051 . 1 . 196 . . 25 VAL N . 17403 1
372 . 1 1 31 31 ASN H H 1 8.661 0.002 . 1 . 100 . . 26 ASN H . 17403 1
373 . 1 1 31 31 ASN HA H 1 5.298 0.002 . 1 . 810 . . 26 ASN HA . 17403 1
374 . 1 1 31 31 ASN HB2 H 1 2.755 0.003 . 2 . 1130 . . 26 ASN HB2 . 17403 1
375 . 1 1 31 31 ASN HB3 H 1 3.117 0.004 . 2 . 1131 . . 26 ASN HB3 . 17403 1
376 . 1 1 31 31 ASN HD21 H 1 7.741 0.002 . 1 . 74 . . 26 ASN HD21 . 17403 1
377 . 1 1 31 31 ASN HD22 H 1 7.126 0.002 . 1 . 15 . . 26 ASN HD22 . 17403 1
378 . 1 1 31 31 ASN CA C 13 49.226 0.024 . 1 . 714 . . 26 ASN CA . 17403 1
379 . 1 1 31 31 ASN CB C 13 38.663 0.039 . 1 . 715 . . 26 ASN CB . 17403 1
380 . 1 1 31 31 ASN N N 15 125.397 0.024 . 1 . 101 . . 26 ASN N . 17403 1
381 . 1 1 31 31 ASN ND2 N 15 112.864 0.038 . 1 . 16 . . 26 ASN ND2 . 17403 1
382 . 1 1 32 32 PRO HA H 1 3.962 0.006 . 1 . 859 . . 27 PRO HA . 17403 1
383 . 1 1 32 32 PRO HB2 H 1 2.282 0.007 . 2 . 861 . . 27 PRO HB2 . 17403 1
384 . 1 1 32 32 PRO HB3 H 1 2.128 0.012 . 2 . 860 . . 27 PRO HB3 . 17403 1
385 . 1 1 32 32 PRO HG2 H 1 2.244 0.011 . 2 . 1110 . . 27 PRO HG2 . 17403 1
386 . 1 1 32 32 PRO HG3 H 1 1.934 0.005 . 2 . 1108 . . 27 PRO HG3 . 17403 1
387 . 1 1 32 32 PRO HD2 H 1 4.069 0.009 . 2 . 1113 . . 27 PRO HD2 . 17403 1
388 . 1 1 32 32 PRO HD3 H 1 3.936 0.011 . 2 . 1112 . . 27 PRO HD3 . 17403 1
389 . 1 1 32 32 PRO C C 13 177.599 . . 1 . 626 . . 27 PRO C . 17403 1
390 . 1 1 32 32 PRO CA C 13 65.476 0.044 . 1 . 506 . . 27 PRO CA . 17403 1
391 . 1 1 32 32 PRO CB C 13 32.411 0.041 . 1 . 1109 . . 27 PRO CB . 17403 1
392 . 1 1 32 32 PRO CG C 13 27.869 0.035 . 1 . 1111 . . 27 PRO CG . 17403 1
393 . 1 1 32 32 PRO CD C 13 51.334 0.049 . 1 . 1114 . . 27 PRO CD . 17403 1
394 . 1 1 33 33 GLU H H 1 7.880 0.004 . 1 . 160 . . 28 GLU H . 17403 1
395 . 1 1 33 33 GLU HA H 1 3.963 0.006 . 1 . 781 . . 28 GLU HA . 17403 1
396 . 1 1 33 33 GLU HB2 H 1 2.069 0.005 . 2 . 863 . . 28 GLU HB2 . 17403 1
397 . 1 1 33 33 GLU HB3 H 1 2.002 0.006 . 2 . 862 . . 28 GLU HB3 . 17403 1
398 . 1 1 33 33 GLU HG2 H 1 2.261 0.018 . 2 . 1243 . . 28 GLU HG2 . 17403 1
399 . 1 1 33 33 GLU HG3 H 1 2.296 0.009 . 2 . 1242 . . 28 GLU HG3 . 17403 1
400 . 1 1 33 33 GLU C C 13 178.949 . . 1 . 607 . . 28 GLU C . 17403 1
401 . 1 1 33 33 GLU CA C 13 59.425 0.047 . 1 . 448 . . 28 GLU CA . 17403 1
402 . 1 1 33 33 GLU CB C 13 29.161 0.028 . 1 . 447 . . 28 GLU CB . 17403 1
403 . 1 1 33 33 GLU CG C 13 36.461 0.046 . 1 . 1244 . . 28 GLU CG . 17403 1
404 . 1 1 33 33 GLU N N 15 116.186 0.019 . 1 . 161 . . 28 GLU N . 17403 1
405 . 1 1 34 34 GLU H H 1 7.294 0.002 . 1 . 233 . . 29 GLU H . 17403 1
406 . 1 1 34 34 GLU HA H 1 4.100 0.008 . 1 . 512 . . 29 GLU HA . 17403 1
407 . 1 1 34 34 GLU HB2 H 1 2.068 0.007 . 2 . 1630 . . 29 GLU HB2 . 17403 1
408 . 1 1 34 34 GLU HB3 H 1 2.149 0.007 . 2 . 1632 . . 29 GLU HB3 . 17403 1
409 . 1 1 34 34 GLU HG2 H 1 2.204 0.02 . 2 . 1578 . . 29 GLU HG2 . 17403 1
410 . 1 1 34 34 GLU HG3 H 1 2.288 0.007 . 2 . 1580 . . 29 GLU HG3 . 17403 1
411 . 1 1 34 34 GLU C C 13 179.130 0.003 . 1 . 598 . . 29 GLU C . 17403 1
412 . 1 1 34 34 GLU CA C 13 58.667 0.057 . 1 . 311 . . 29 GLU CA . 17403 1
413 . 1 1 34 34 GLU CB C 13 29.712 0.033 . 1 . 1631 . . 29 GLU CB . 17403 1
414 . 1 1 34 34 GLU CG C 13 36.255 0.036 . 1 . 1579 . . 29 GLU CG . 17403 1
415 . 1 1 34 34 GLU N N 15 120.108 0.012 . 1 . 234 . . 29 GLU N . 17403 1
416 . 1 1 35 35 ILE H H 1 7.603 0.01 . 1 . 1649 . . 30 ILE H . 17403 1
417 . 1 1 35 35 ILE HA H 1 3.947 0.014 . 1 . 718 . . 30 ILE HA . 17403 1
418 . 1 1 35 35 ILE HB H 1 2.157 0.009 . 1 . 864 . . 30 ILE HB . 17403 1
419 . 1 1 35 35 ILE HG12 H 1 1.637 0.017 . 2 . 1282 . . 30 ILE HG12 . 17403 1
420 . 1 1 35 35 ILE HG13 H 1 1.247 0.004 . 2 . 1283 . . 30 ILE HG13 . 17403 1
421 . 1 1 35 35 ILE HG21 H 1 0.804 0.014 . 1 . 1284 . . 30 ILE HG21 . 17403 1
422 . 1 1 35 35 ILE HG22 H 1 0.804 0.014 . 1 . 1284 . . 30 ILE HG22 . 17403 1
423 . 1 1 35 35 ILE HG23 H 1 0.804 0.014 . 1 . 1284 . . 30 ILE HG23 . 17403 1
424 . 1 1 35 35 ILE HD11 H 1 0.738 0.016 . 1 . 1287 . . 30 ILE HD11 . 17403 1
425 . 1 1 35 35 ILE HD12 H 1 0.738 0.016 . 1 . 1287 . . 30 ILE HD12 . 17403 1
426 . 1 1 35 35 ILE HD13 H 1 0.738 0.016 . 1 . 1287 . . 30 ILE HD13 . 17403 1
427 . 1 1 35 35 ILE C C 13 178.351 . . 1 . 637 . . 30 ILE C . 17403 1
428 . 1 1 35 35 ILE CA C 13 62.418 0.038 . 1 . 369 . . 30 ILE CA . 17403 1
429 . 1 1 35 35 ILE CB C 13 35.854 0.032 . 1 . 368 . . 30 ILE CB . 17403 1
430 . 1 1 35 35 ILE CG1 C 13 27.491 0.035 . 1 . 1286 . . 30 ILE CG1 . 17403 1
431 . 1 1 35 35 ILE CG2 C 13 18.553 0.029 . 1 . 1285 . . 30 ILE CG2 . 17403 1
432 . 1 1 35 35 ILE CD1 C 13 9.904 0.027 . 1 . 1288 . . 30 ILE CD1 . 17403 1
433 . 1 1 35 35 ILE N N 15 118.593 0.054 . 1 . 162 . . 30 ILE N . 17403 1
434 . 1 1 36 36 LYS H H 1 8.369 0.012 . 1 . 126 . . 31 LYS H . 17403 1
435 . 1 1 36 36 LYS HA H 1 3.872 0.009 . 1 . 771 . . 31 LYS HA . 17403 1
436 . 1 1 36 36 LYS HB2 H 1 1.917 0.007 . 2 . 865 . . 31 LYS HB2 . 17403 1
437 . 1 1 36 36 LYS HB3 H 1 1.915 0.004 . 2 . 866 . . 31 LYS HB3 . 17403 1
438 . 1 1 36 36 LYS HG2 H 1 1.691 0.011 . 2 . 1140 . . 31 LYS HG2 . 17403 1
439 . 1 1 36 36 LYS HG3 H 1 1.527 0.004 . 2 . 1141 . . 31 LYS HG3 . 17403 1
440 . 1 1 36 36 LYS HD2 H 1 1.699 0.008 . 2 . 1446 . . 31 LYS HD2 . 17403 1
441 . 1 1 36 36 LYS HD3 H 1 1.699 0.004 . 2 . 1447 . . 31 LYS HD3 . 17403 1
442 . 1 1 36 36 LYS HE2 H 1 2.949 0.002 . 2 . 1667 . . 31 LYS HE2 . 17403 1
443 . 1 1 36 36 LYS HE3 H 1 2.948 0.002 . 2 . 1449 . . 31 LYS HE3 . 17403 1
444 . 1 1 36 36 LYS C C 13 178.314 . . 1 . 641 . . 31 LYS C . 17403 1
445 . 1 1 36 36 LYS CA C 13 60.196 0.051 . 1 . 384 . . 31 LYS CA . 17403 1
446 . 1 1 36 36 LYS CB C 13 32.347 0.03 . 1 . 383 . . 31 LYS CB . 17403 1
447 . 1 1 36 36 LYS CG C 13 25.058 0.028 . 1 . 1142 . . 31 LYS CG . 17403 1
448 . 1 1 36 36 LYS CD C 13 29.580 0.042 . 1 . 1448 . . 31 LYS CD . 17403 1
449 . 1 1 36 36 LYS CE C 13 41.588 . . 1 . 1668 . . 31 LYS CE . 17403 1
450 . 1 1 36 36 LYS N N 15 120.420 0.015 . 1 . 127 . . 31 LYS N . 17403 1
451 . 1 1 37 37 HIS H H 1 7.875 0.005 . 1 . 146 . . 32 HIS H . 17403 1
452 . 1 1 37 37 HIS HA H 1 4.339 0.003 . 1 . 803 . . 32 HIS HA . 17403 1
453 . 1 1 37 37 HIS HB2 H 1 3.236 0.009 . 2 . 867 . . 32 HIS HB2 . 17403 1
454 . 1 1 37 37 HIS HB3 H 1 3.258 0.01 . 2 . 868 . . 32 HIS HB3 . 17403 1
455 . 1 1 37 37 HIS HD2 H 1 7.216 0.012 . 1 . 1090 . . 32 HIS HD2 . 17403 1
456 . 1 1 37 37 HIS HE1 H 1 8.375 0.002 . 1 . 1096 . . 32 HIS HE1 . 17403 1
457 . 1 1 37 37 HIS C C 13 176.240 . . 1 . 591 . . 32 HIS C . 17403 1
458 . 1 1 37 37 HIS CA C 13 58.049 0.053 . 1 . 325 . . 32 HIS CA . 17403 1
459 . 1 1 37 37 HIS CB C 13 28.922 0.023 . 1 . 324 . . 32 HIS CB . 17403 1
460 . 1 1 37 37 HIS CD2 C 13 119.649 0.062 . 1 . 1091 . . 32 HIS CD2 . 17403 1
461 . 1 1 37 37 HIS CE1 C 13 137.027 . . 1 . 1097 . . 32 HIS CE1 . 17403 1
462 . 1 1 37 37 HIS N N 15 114.524 0.019 . 1 . 1645 . . 32 HIS N . 17403 1
463 . 1 1 37 37 HIS ND1 N 15 188.816 0.026 . 1 . 1636 . . 32 HIS ND1 . 17403 1
464 . 1 1 37 37 HIS NE2 N 15 175.661 0.002 . 1 . 1637 . . 32 HIS NE2 . 17403 1
465 . 1 1 38 38 ARG H H 1 7.774 0.003 . 1 . 43 . . 33 ARG H . 17403 1
466 . 1 1 38 38 ARG HA H 1 3.886 0.003 . 1 . 533 . . 33 ARG HA . 17403 1
467 . 1 1 38 38 ARG HB2 H 1 1.053 0.003 . 2 . 869 . . 33 ARG HB2 . 17403 1
468 . 1 1 38 38 ARG HB3 H 1 1.448 0.006 . 2 . 1180 . . 33 ARG HB3 . 17403 1
469 . 1 1 38 38 ARG HG2 H 1 1.314 0.002 . 2 . 1182 . . 33 ARG HG2 . 17403 1
470 . 1 1 38 38 ARG HG3 H 1 0.774 0.003 . 2 . 1181 . . 33 ARG HG3 . 17403 1
471 . 1 1 38 38 ARG HD2 H 1 2.849 0.002 . 2 . 1184 . . 33 ARG HD2 . 17403 1
472 . 1 1 38 38 ARG HD3 H 1 2.948 0.002 . 2 . 1185 . . 33 ARG HD3 . 17403 1
473 . 1 1 38 38 ARG HE H 1 7.131 0.002 . 1 . 1605 . . 33 ARG HE . 17403 1
474 . 1 1 38 38 ARG C C 13 177.517 . . 1 . 653 . . 33 ARG C . 17403 1
475 . 1 1 38 38 ARG CA C 13 57.999 0.061 . 1 . 1179 . . 33 ARG CA . 17403 1
476 . 1 1 38 38 ARG CB C 13 31.641 0.036 . 1 . 387 . . 33 ARG CB . 17403 1
477 . 1 1 38 38 ARG CG C 13 26.994 0.03 . 1 . 1183 . . 33 ARG CG . 17403 1
478 . 1 1 38 38 ARG CD C 13 43.487 0.029 . 1 . 1186 . . 33 ARG CD . 17403 1
479 . 1 1 38 38 ARG N N 15 115.500 0.035 . 1 . 44 . . 33 ARG N . 17403 1
480 . 1 1 38 38 ARG NE N 15 85.236 . . 1 . 1606 . . 33 ARG NE . 17403 1
481 . 1 1 39 39 PHE H H 1 8.335 0.009 . 1 . 149 . . 34 PHE H . 17403 1
482 . 1 1 39 39 PHE HA H 1 4.793 0.003 . 1 . 758 . . 34 PHE HA . 17403 1
483 . 1 1 39 39 PHE HB2 H 1 2.658 0.004 . 2 . 871 . . 34 PHE HB2 . 17403 1
484 . 1 1 39 39 PHE HB3 H 1 3.219 0.018 . 2 . 872 . . 34 PHE HB3 . 17403 1
485 . 1 1 39 39 PHE HD1 H 1 7.433 0.004 . 3 . 1079 . . 34 PHE HD1 . 17403 1
486 . 1 1 39 39 PHE HD2 H 1 7.433 0.004 . 3 . 1079 . . 34 PHE HD2 . 17403 1
487 . 1 1 39 39 PHE HE1 H 1 7.244 0.008 . 3 . 1082 . . 34 PHE HE1 . 17403 1
488 . 1 1 39 39 PHE HE2 H 1 7.244 0.008 . 3 . 1082 . . 34 PHE HE2 . 17403 1
489 . 1 1 39 39 PHE C C 13 175.041 . . 1 . 600 . . 34 PHE C . 17403 1
490 . 1 1 39 39 PHE CA C 13 58.960 0.046 . 1 . 504 . . 34 PHE CA . 17403 1
491 . 1 1 39 39 PHE CB C 13 40.726 0.041 . 1 . 503 . . 34 PHE CB . 17403 1
492 . 1 1 39 39 PHE CD1 C 13 132.243 0.065 . 3 . 1078 . . 34 PHE CD1 . 17403 1
493 . 1 1 39 39 PHE CD2 C 13 132.243 0.065 . 3 . 1078 . . 34 PHE CD2 . 17403 1
494 . 1 1 39 39 PHE CE1 C 13 131.265 0.035 . 3 . 1083 . . 34 PHE CE1 . 17403 1
495 . 1 1 39 39 PHE CE2 C 13 131.265 0.035 . 3 . 1083 . . 34 PHE CE2 . 17403 1
496 . 1 1 39 39 PHE N N 15 112.990 0.031 . 1 . 150 . . 34 PHE N . 17403 1
497 . 1 1 40 40 ASP H H 1 8.252 0.003 . 1 . 292 . . 35 ASP H . 17403 1
498 . 1 1 40 40 ASP HA H 1 5.134 0.002 . 1 . 765 . . 35 ASP HA . 17403 1
499 . 1 1 40 40 ASP HB2 H 1 2.287 0.003 . 2 . 873 . . 35 ASP HB2 . 17403 1
500 . 1 1 40 40 ASP HB3 H 1 3.119 0.005 . 2 . 874 . . 35 ASP HB3 . 17403 1
501 . 1 1 40 40 ASP C C 13 177.113 . . 1 . 577 . . 35 ASP C . 17403 1
502 . 1 1 40 40 ASP CA C 13 52.750 0.043 . 1 . 346 . . 35 ASP CA . 17403 1
503 . 1 1 40 40 ASP CB C 13 40.569 0.036 . 1 . 345 . . 35 ASP CB . 17403 1
504 . 1 1 40 40 ASP N N 15 121.856 0.021 . 1 . 293 . . 35 ASP N . 17403 1
505 . 1 1 41 41 THR H H 1 7.997 0.003 . 1 . 86 . . 36 THR H . 17403 1
506 . 1 1 41 41 THR HA H 1 3.976 0.005 . 1 . 532 . . 36 THR HA . 17403 1
507 . 1 1 41 41 THR HB H 1 4.173 0.013 . 1 . 531 . . 36 THR HB . 17403 1
508 . 1 1 41 41 THR HG21 H 1 1.176 0.003 . 1 . 1164 . . 36 THR HG21 . 17403 1
509 . 1 1 41 41 THR HG22 H 1 1.176 0.003 . 1 . 1164 . . 36 THR HG22 . 17403 1
510 . 1 1 41 41 THR HG23 H 1 1.176 0.003 . 1 . 1164 . . 36 THR HG23 . 17403 1
511 . 1 1 41 41 THR C C 13 176.060 . . 1 . 578 . . 36 THR C . 17403 1
512 . 1 1 41 41 THR CA C 13 64.859 0.063 . 1 . 308 . . 36 THR CA . 17403 1
513 . 1 1 41 41 THR CB C 13 68.924 0.053 . 1 . 309 . . 36 THR CB . 17403 1
514 . 1 1 41 41 THR CG2 C 13 22.019 0.031 . 1 . 1163 . . 36 THR CG2 . 17403 1
515 . 1 1 41 41 THR N N 15 114.636 0.026 . 1 . 87 . . 36 THR N . 17403 1
516 . 1 1 42 42 ASP H H 1 8.419 0.002 . 1 . 13 . . 37 ASP H . 17403 1
517 . 1 1 42 42 ASP HA H 1 4.784 0.003 . 1 . 789 . . 37 ASP HA . 17403 1
518 . 1 1 42 42 ASP HB2 H 1 2.862 0.002 . 2 . 876 . . 37 ASP HB2 . 17403 1
519 . 1 1 42 42 ASP HB3 H 1 2.734 0.002 . 2 . 875 . . 37 ASP HB3 . 17403 1
520 . 1 1 42 42 ASP C C 13 177.097 . . 1 . 548 . . 37 ASP C . 17403 1
521 . 1 1 42 42 ASP CA C 13 53.865 0.042 . 1 . 446 . . 37 ASP CA . 17403 1
522 . 1 1 42 42 ASP CB C 13 41.432 0.028 . 1 . 445 . . 37 ASP CB . 17403 1
523 . 1 1 42 42 ASP N N 15 118.582 0.031 . 1 . 14 . . 37 ASP N . 17403 1
524 . 1 1 43 43 GLY H H 1 7.857 0.005 . 1 . 231 . . 38 GLY H . 17403 1
525 . 1 1 43 43 GLY HA2 H 1 3.999 0.012 . 2 . 878 . . 38 GLY HA2 . 17403 1
526 . 1 1 43 43 GLY HA3 H 1 3.844 0.002 . 2 . 877 . . 38 GLY HA3 . 17403 1
527 . 1 1 43 43 GLY C C 13 175.620 . . 1 . 669 . . 38 GLY C . 17403 1
528 . 1 1 43 43 GLY CA C 13 46.922 0.043 . 1 . 413 . . 38 GLY CA . 17403 1
529 . 1 1 43 43 GLY N N 15 109.390 0.016 . 1 . 232 . . 38 GLY N . 17403 1
530 . 1 1 44 44 THR H H 1 8.321 0.006 . 1 . 189 . . 39 THR H . 17403 1
531 . 1 1 44 44 THR HA H 1 4.365 0.002 . 1 . 797 . . 39 THR HA . 17403 1
532 . 1 1 44 44 THR HB H 1 4.492 0.016 . 1 . 879 . . 39 THR HB . 17403 1
533 . 1 1 44 44 THR HG21 H 1 1.144 0.011 . 1 . 1165 . . 39 THR HG21 . 17403 1
534 . 1 1 44 44 THR HG22 H 1 1.144 0.011 . 1 . 1165 . . 39 THR HG22 . 17403 1
535 . 1 1 44 44 THR HG23 H 1 1.144 0.011 . 1 . 1165 . . 39 THR HG23 . 17403 1
536 . 1 1 44 44 THR C C 13 175.406 . . 1 . 604 . . 39 THR C . 17403 1
537 . 1 1 44 44 THR CA C 13 61.910 0.017 . 1 . 481 . . 39 THR CA . 17403 1
538 . 1 1 44 44 THR CB C 13 69.772 0.052 . 1 . 480 . . 39 THR CB . 17403 1
539 . 1 1 44 44 THR CG2 C 13 21.595 0.036 . 1 . 1166 . . 39 THR CG2 . 17403 1
540 . 1 1 44 44 THR N N 15 110.959 0.023 . 1 . 190 . . 39 THR N . 17403 1
541 . 1 1 45 45 GLY H H 1 9.508 0.005 . 1 . 270 . . 40 GLY H . 17403 1
542 . 1 1 45 45 GLY HA2 H 1 3.719 0.006 . 2 . 880 . . 40 GLY HA2 . 17403 1
543 . 1 1 45 45 GLY HA3 H 1 4.437 0.005 . 2 . 881 . . 40 GLY HA3 . 17403 1
544 . 1 1 45 45 GLY C C 13 174.066 . . 1 . 667 . . 40 GLY C . 17403 1
545 . 1 1 45 45 GLY CA C 13 43.703 0.031 . 1 . 507 . . 40 GLY CA . 17403 1
546 . 1 1 45 45 GLY N N 15 116.362 0.018 . 1 . 271 . . 40 GLY N . 17403 1
547 . 1 1 46 46 LEU H H 1 9.287 0.009 . 1 . 64 . . 41 LEU H . 17403 1
548 . 1 1 46 46 LEU HA H 1 4.478 0.008 . 1 . 720 . . 41 LEU HA . 17403 1
549 . 1 1 46 46 LEU HB2 H 1 1.620 0.003 . 2 . 882 . . 41 LEU HB2 . 17403 1
550 . 1 1 46 46 LEU HB3 H 1 2.128 0.009 . 2 . 883 . . 41 LEU HB3 . 17403 1
551 . 1 1 46 46 LEU HG H 1 1.933 0.006 . 1 . 1375 . . 41 LEU HG . 17403 1
552 . 1 1 46 46 LEU HD11 H 1 0.714 0.008 . 2 . 1377 . . 41 LEU HD11 . 17403 1
553 . 1 1 46 46 LEU HD12 H 1 0.714 0.008 . 2 . 1377 . . 41 LEU HD12 . 17403 1
554 . 1 1 46 46 LEU HD13 H 1 0.714 0.008 . 2 . 1377 . . 41 LEU HD13 . 17403 1
555 . 1 1 46 46 LEU HD21 H 1 0.786 0.013 . 2 . 1378 . . 41 LEU HD21 . 17403 1
556 . 1 1 46 46 LEU HD22 H 1 0.786 0.013 . 2 . 1378 . . 41 LEU HD22 . 17403 1
557 . 1 1 46 46 LEU HD23 H 1 0.786 0.013 . 2 . 1378 . . 41 LEU HD23 . 17403 1
558 . 1 1 46 46 LEU C C 13 177.877 . . 1 . 608 . . 41 LEU C . 17403 1
559 . 1 1 46 46 LEU CA C 13 55.832 0.048 . 1 . 494 . . 41 LEU CA . 17403 1
560 . 1 1 46 46 LEU CB C 13 42.418 0.04 . 1 . 495 . . 41 LEU CB . 17403 1
561 . 1 1 46 46 LEU CG C 13 27.053 0.037 . 1 . 1376 . . 41 LEU CG . 17403 1
562 . 1 1 46 46 LEU CD1 C 13 25.053 0.022 . 2 . 1386 . . 41 LEU CD1 . 17403 1
563 . 1 1 46 46 LEU CD2 C 13 26.426 0.027 . 2 . 1385 . . 41 LEU CD2 . 17403 1
564 . 1 1 46 46 LEU N N 15 123.058 0.017 . 1 . 65 . . 41 LEU N . 17403 1
565 . 1 1 47 47 GLY H H 1 8.289 0.006 . 1 . 282 . . 42 GLY H . 17403 1
566 . 1 1 47 47 GLY HA2 H 1 4.087 0.003 . 2 . 884 . . 42 GLY HA2 . 17403 1
567 . 1 1 47 47 GLY HA3 H 1 4.633 0.004 . 2 . 885 . . 42 GLY HA3 . 17403 1
568 . 1 1 47 47 GLY C C 13 173.263 . . 1 . 657 . . 42 GLY C . 17403 1
569 . 1 1 47 47 GLY CA C 13 44.264 0.04 . 1 . 410 . . 42 GLY CA . 17403 1
570 . 1 1 47 47 GLY N N 15 112.430 0.019 . 1 . 283 . . 42 GLY N . 17403 1
571 . 1 1 48 48 LEU H H 1 8.584 0.003 . 1 . 185 . . 43 LEU H . 17403 1
572 . 1 1 48 48 LEU HA H 1 3.131 0.01 . 1 . 735 . . 43 LEU HA . 17403 1
573 . 1 1 48 48 LEU HB2 H 1 0.730 0.018 . 2 . 886 . . 43 LEU HB2 . 17403 1
574 . 1 1 48 48 LEU HB3 H 1 1.425 0.013 . 2 . 887 . . 43 LEU HB3 . 17403 1
575 . 1 1 48 48 LEU HG H 1 0.869 0.006 . 1 . 1379 . . 43 LEU HG . 17403 1
576 . 1 1 48 48 LEU HD11 H 1 0.236 0.002 . 2 . 1381 . . 43 LEU HD11 . 17403 1
577 . 1 1 48 48 LEU HD12 H 1 0.236 0.002 . 2 . 1381 . . 43 LEU HD12 . 17403 1
578 . 1 1 48 48 LEU HD13 H 1 0.236 0.002 . 2 . 1381 . . 43 LEU HD13 . 17403 1
579 . 1 1 48 48 LEU HD21 H 1 -0.510 0.002 . 2 . 1382 . . 43 LEU HD21 . 17403 1
580 . 1 1 48 48 LEU HD22 H 1 -0.510 0.002 . 2 . 1382 . . 43 LEU HD22 . 17403 1
581 . 1 1 48 48 LEU HD23 H 1 -0.510 0.002 . 2 . 1382 . . 43 LEU HD23 . 17403 1
582 . 1 1 48 48 LEU C C 13 178.006 . . 1 . 595 . . 43 LEU C . 17403 1
583 . 1 1 48 48 LEU CA C 13 59.198 0.045 . 1 . 412 . . 43 LEU CA . 17403 1
584 . 1 1 48 48 LEU CB C 13 40.823 0.027 . 1 . 411 . . 43 LEU CB . 17403 1
585 . 1 1 48 48 LEU CG C 13 26.314 0.033 . 1 . 1380 . . 43 LEU CG . 17403 1
586 . 1 1 48 48 LEU CD1 C 13 25.307 0.034 . 2 . 1384 . . 43 LEU CD1 . 17403 1
587 . 1 1 48 48 LEU CD2 C 13 21.518 0.025 . 2 . 1383 . . 43 LEU CD2 . 17403 1
588 . 1 1 48 48 LEU N N 15 121.558 0.016 . 1 . 186 . . 43 LEU N . 17403 1
589 . 1 1 49 49 THR H H 1 8.163 0.008 . 1 . 187 . . 44 THR H . 17403 1
590 . 1 1 49 49 THR HA H 1 3.754 0.006 . 1 . 795 . . 44 THR HA . 17403 1
591 . 1 1 49 49 THR HB H 1 4.188 0.012 . 1 . 888 . . 44 THR HB . 17403 1
592 . 1 1 49 49 THR HG21 H 1 1.233 0.004 . 1 . 1167 . . 44 THR HG21 . 17403 1
593 . 1 1 49 49 THR HG22 H 1 1.233 0.004 . 1 . 1167 . . 44 THR HG22 . 17403 1
594 . 1 1 49 49 THR HG23 H 1 1.233 0.004 . 1 . 1167 . . 44 THR HG23 . 17403 1
595 . 1 1 49 49 THR C C 13 177.397 . . 1 . 606 . . 44 THR C . 17403 1
596 . 1 1 49 49 THR CA C 13 66.864 0.059 . 1 . 376 . . 44 THR CA . 17403 1
597 . 1 1 49 49 THR CB C 13 68.213 0.049 . 1 . 375 . . 44 THR CB . 17403 1
598 . 1 1 49 49 THR CG2 C 13 22.053 0.033 . 1 . 1168 . . 44 THR CG2 . 17403 1
599 . 1 1 49 49 THR N N 15 111.624 0.02 . 1 . 188 . . 44 THR N . 17403 1
600 . 1 1 50 50 SER H H 1 7.957 0.007 . 1 . 1651 . . 45 SER H . 17403 1
601 . 1 1 50 50 SER HA H 1 4.215 0.006 . 1 . 805 . . 45 SER HA . 17403 1
602 . 1 1 50 50 SER HB2 H 1 4.090 0.006 . 2 . 890 . . 45 SER HB2 . 17403 1
603 . 1 1 50 50 SER HB3 H 1 4.029 0.016 . 2 . 889 . . 45 SER HB3 . 17403 1
604 . 1 1 50 50 SER C C 13 174.513 . . 1 . 560 . . 45 SER C . 17403 1
605 . 1 1 50 50 SER CA C 13 62.130 0.051 . 1 . 524 . . 45 SER CA . 17403 1
606 . 1 1 50 50 SER CB C 13 63.312 0.065 . 1 . 525 . . 45 SER CB . 17403 1
607 . 1 1 50 50 SER N N 15 117.372 0.013 . 1 . 136 . . 45 SER N . 17403 1
608 . 1 1 51 51 TRP H H 1 9.235 0.011 . 1 . 254 . . 46 TRP H . 17403 1
609 . 1 1 51 51 TRP HA H 1 3.559 0.003 . 1 . 672 . . 46 TRP HA . 17403 1
610 . 1 1 51 51 TRP HB2 H 1 3.279 0.009 . 2 . 1138 . . 46 TRP HB2 . 17403 1
611 . 1 1 51 51 TRP HB3 H 1 3.180 0.019 . 2 . 1137 . . 46 TRP HB3 . 17403 1
612 . 1 1 51 51 TRP HD1 H 1 6.895 0.016 . 1 . 1036 . . 46 TRP HD1 . 17403 1
613 . 1 1 51 51 TRP HE1 H 1 9.914 0.005 . 1 . 175 . . 46 TRP HE1 . 17403 1
614 . 1 1 51 51 TRP HE3 H 1 6.963 0.003 . 1 . 1052 . . 46 TRP HE3 . 17403 1
615 . 1 1 51 51 TRP HZ2 H 1 6.797 0.008 . 1 . 1038 . . 46 TRP HZ2 . 17403 1
616 . 1 1 51 51 TRP HZ3 H 1 6.576 0.012 . 1 . 1050 . . 46 TRP HZ3 . 17403 1
617 . 1 1 51 51 TRP HH2 H 1 6.620 0.019 . 1 . 1048 . . 46 TRP HH2 . 17403 1
618 . 1 1 51 51 TRP C C 13 178.274 . . 1 . 644 . . 46 TRP C . 17403 1
619 . 1 1 51 51 TRP CA C 13 63.279 0.043 . 1 . 374 . . 46 TRP CA . 17403 1
620 . 1 1 51 51 TRP CB C 13 30.354 0.045 . 1 . 373 . . 46 TRP CB . 17403 1
621 . 1 1 51 51 TRP CD1 C 13 125.472 0.044 . 1 . 1037 . . 46 TRP CD1 . 17403 1
622 . 1 1 51 51 TRP CE3 C 13 121.876 0.004 . 1 . 1053 . . 46 TRP CE3 . 17403 1
623 . 1 1 51 51 TRP CZ2 C 13 113.627 0.031 . 1 . 1039 . . 46 TRP CZ2 . 17403 1
624 . 1 1 51 51 TRP CZ3 C 13 120.522 0.025 . 1 . 1051 . . 46 TRP CZ3 . 17403 1
625 . 1 1 51 51 TRP CH2 C 13 122.238 0.018 . 1 . 1049 . . 46 TRP CH2 . 17403 1
626 . 1 1 51 51 TRP N N 15 125.149 0.028 . 1 . 255 . . 46 TRP N . 17403 1
627 . 1 1 51 51 TRP NE1 N 15 127.044 0.033 . 1 . 176 . . 46 TRP NE1 . 17403 1
628 . 1 1 52 52 LEU H H 1 8.288 0.005 . 1 . 134 . . 47 LEU H . 17403 1
629 . 1 1 52 52 LEU HA H 1 3.909 0.016 . 1 . 725 . . 47 LEU HA . 17403 1
630 . 1 1 52 52 LEU HB2 H 1 2.003 0.011 . 2 . 1430 . . 47 LEU HB2 . 17403 1
631 . 1 1 52 52 LEU HB3 H 1 1.356 0.018 . 2 . 1429 . . 47 LEU HB3 . 17403 1
632 . 1 1 52 52 LEU HG H 1 1.983 0.004 . 1 . 1561 . . 47 LEU HG . 17403 1
633 . 1 1 52 52 LEU HD11 H 1 0.895 0.01 . 2 . 1527 . . 47 LEU HD11 . 17403 1
634 . 1 1 52 52 LEU HD12 H 1 0.895 0.01 . 2 . 1527 . . 47 LEU HD12 . 17403 1
635 . 1 1 52 52 LEU HD13 H 1 0.895 0.01 . 2 . 1527 . . 47 LEU HD13 . 17403 1
636 . 1 1 52 52 LEU HD21 H 1 0.782 0.015 . 2 . 1563 . . 47 LEU HD21 . 17403 1
637 . 1 1 52 52 LEU HD22 H 1 0.782 0.015 . 2 . 1563 . . 47 LEU HD22 . 17403 1
638 . 1 1 52 52 LEU HD23 H 1 0.782 0.015 . 2 . 1563 . . 47 LEU HD23 . 17403 1
639 . 1 1 52 52 LEU C C 13 179.697 0.006 . 1 . 1559 . . 47 LEU C . 17403 1
640 . 1 1 52 52 LEU CA C 13 58.608 0.042 . 1 . 526 . . 47 LEU CA . 17403 1
641 . 1 1 52 52 LEU CB C 13 41.323 0.044 . 1 . 310 . . 47 LEU CB . 17403 1
642 . 1 1 52 52 LEU CG C 13 26.657 0.039 . 1 . 1560 . . 47 LEU CG . 17403 1
643 . 1 1 52 52 LEU CD1 C 13 23.885 0.028 . 2 . 1528 . . 47 LEU CD1 . 17403 1
644 . 1 1 52 52 LEU CD2 C 13 23.296 0.046 . 2 . 1562 . . 47 LEU CD2 . 17403 1
645 . 1 1 52 52 LEU N N 15 116.683 0.035 . 1 . 135 . . 47 LEU N . 17403 1
646 . 1 1 53 53 LEU H H 1 7.613 0.003 . 1 . 528 . . 48 LEU H . 17403 1
647 . 1 1 53 53 LEU HA H 1 3.849 0.01 . 1 . 717 . . 48 LEU HA . 17403 1
648 . 1 1 53 53 LEU HB2 H 1 1.768 0.002 . 2 . 892 . . 48 LEU HB2 . 17403 1
649 . 1 1 53 53 LEU HB3 H 1 1.397 0.008 . 2 . 891 . . 48 LEU HB3 . 17403 1
650 . 1 1 53 53 LEU HG H 1 1.845 0.002 . 1 . 1537 . . 48 LEU HG . 17403 1
651 . 1 1 53 53 LEU HD11 H 1 0.982 0.003 . 2 . 1535 . . 48 LEU HD11 . 17403 1
652 . 1 1 53 53 LEU HD12 H 1 0.982 0.003 . 2 . 1535 . . 48 LEU HD12 . 17403 1
653 . 1 1 53 53 LEU HD13 H 1 0.982 0.003 . 2 . 1535 . . 48 LEU HD13 . 17403 1
654 . 1 1 53 53 LEU HD21 H 1 0.893 0.002 . 2 . 1539 . . 48 LEU HD21 . 17403 1
655 . 1 1 53 53 LEU HD22 H 1 0.893 0.002 . 2 . 1539 . . 48 LEU HD22 . 17403 1
656 . 1 1 53 53 LEU HD23 H 1 0.893 0.002 . 2 . 1539 . . 48 LEU HD23 . 17403 1
657 . 1 1 53 53 LEU C C 13 179.532 . . 1 . 658 . . 48 LEU C . 17403 1
658 . 1 1 53 53 LEU CA C 13 57.678 0.044 . 1 . 367 . . 48 LEU CA . 17403 1
659 . 1 1 53 53 LEU CB C 13 41.963 0.035 . 1 . 534 . . 48 LEU CB . 17403 1
660 . 1 1 53 53 LEU CG C 13 26.481 0.034 . 1 . 1538 . . 48 LEU CG . 17403 1
661 . 1 1 53 53 LEU CD1 C 13 25.222 0.028 . 2 . 1536 . . 48 LEU CD1 . 17403 1
662 . 1 1 53 53 LEU CD2 C 13 22.829 0.043 . 2 . 1540 . . 48 LEU CD2 . 17403 1
663 . 1 1 53 53 LEU N N 15 118.581 0.027 . 1 . 529 . . 48 LEU N . 17403 1
664 . 1 1 54 54 ALA H H 1 8.187 0.004 . 1 . 124 . . 49 ALA H . 17403 1
665 . 1 1 54 54 ALA HA H 1 2.940 0.004 . 1 . 757 . . 49 ALA HA . 17403 1
666 . 1 1 54 54 ALA HB1 H 1 0.633 0.012 . 1 . 893 . . 49 ALA HB1 . 17403 1
667 . 1 1 54 54 ALA HB2 H 1 0.633 0.012 . 1 . 893 . . 49 ALA HB2 . 17403 1
668 . 1 1 54 54 ALA HB3 H 1 0.633 0.012 . 1 . 893 . . 49 ALA HB3 . 17403 1
669 . 1 1 54 54 ALA C C 13 180.513 . . 1 . 640 . . 49 ALA C . 17403 1
670 . 1 1 54 54 ALA CA C 13 54.024 0.044 . 1 . 434 . . 49 ALA CA . 17403 1
671 . 1 1 54 54 ALA CB C 13 17.766 0.045 . 1 . 433 . . 49 ALA CB . 17403 1
672 . 1 1 54 54 ALA N N 15 124.890 0.02 . 1 . 125 . . 49 ALA N . 17403 1
673 . 1 1 55 55 ALA H H 1 8.264 0.006 . 1 . 218 . . 50 ALA H . 17403 1
674 . 1 1 55 55 ALA HA H 1 3.415 0.002 . 1 . 769 . . 50 ALA HA . 17403 1
675 . 1 1 55 55 ALA HB1 H 1 0.781 0.017 . 1 . 894 . . 50 ALA HB1 . 17403 1
676 . 1 1 55 55 ALA HB2 H 1 0.781 0.017 . 1 . 894 . . 50 ALA HB2 . 17403 1
677 . 1 1 55 55 ALA HB3 H 1 0.781 0.017 . 1 . 894 . . 50 ALA HB3 . 17403 1
678 . 1 1 55 55 ALA C C 13 179.769 . . 1 . 610 . . 50 ALA C . 17403 1
679 . 1 1 55 55 ALA CA C 13 55.453 0.047 . 1 . 335 . . 50 ALA CA . 17403 1
680 . 1 1 55 55 ALA CB C 13 18.280 0.06 . 1 . 334 . . 50 ALA CB . 17403 1
681 . 1 1 55 55 ALA N N 15 121.322 0.045 . 1 . 219 . . 50 ALA N . 17403 1
682 . 1 1 56 56 LYS H H 1 7.996 0.006 . 1 . 1650 . . 51 LYS H . 17403 1
683 . 1 1 56 56 LYS HA H 1 4.273 0.003 . 1 . 801 . . 51 LYS HA . 17403 1
684 . 1 1 56 56 LYS HB2 H 1 1.903 0.006 . 2 . 896 . . 51 LYS HB2 . 17403 1
685 . 1 1 56 56 LYS HB3 H 1 1.864 0.018 . 2 . 895 . . 51 LYS HB3 . 17403 1
686 . 1 1 56 56 LYS HG2 H 1 1.488 0.011 . 2 . 1454 . . 51 LYS HG2 . 17403 1
687 . 1 1 56 56 LYS HG3 H 1 1.655 0.008 . 2 . 1453 . . 51 LYS HG3 . 17403 1
688 . 1 1 56 56 LYS HD2 H 1 1.656 0.016 . 2 . 1673 . . 51 LYS HD2 . 17403 1
689 . 1 1 56 56 LYS HD3 H 1 1.640 0.01 . 2 . 1674 . . 51 LYS HD3 . 17403 1
690 . 1 1 56 56 LYS HE2 H 1 2.946 0.018 . 2 . 1669 . . 51 LYS HE2 . 17403 1
691 . 1 1 56 56 LYS HE3 H 1 2.930 0.005 . 2 . 1671 . . 51 LYS HE3 . 17403 1
692 . 1 1 56 56 LYS C C 13 181.214 . . 1 . 570 . . 51 LYS C . 17403 1
693 . 1 1 56 56 LYS CA C 13 59.480 0.05 . 1 . 432 . . 51 LYS CA . 17403 1
694 . 1 1 56 56 LYS CB C 13 32.162 0.033 . 1 . 431 . . 51 LYS CB . 17403 1
695 . 1 1 56 56 LYS CG C 13 25.866 0.042 . 1 . 1455 . . 51 LYS CG . 17403 1
696 . 1 1 56 56 LYS CD C 13 29.604 0.0 . 1 . 1672 . . 51 LYS CD . 17403 1
697 . 1 1 56 56 LYS CE C 13 42.031 0.002 . 1 . 1670 . . 51 LYS CE . 17403 1
698 . 1 1 56 56 LYS N N 15 117.946 0.051 . 1 . 68 . . 51 LYS N . 17403 1
699 . 1 1 57 57 SER H H 1 7.981 0.012 . 1 . 215 . . 52 SER H . 17403 1
700 . 1 1 57 57 SER HA H 1 4.368 0.009 . 1 . 731 . . 52 SER HA . 17403 1
701 . 1 1 57 57 SER HB2 H 1 4.123 0.01 . 2 . 898 . . 52 SER HB2 . 17403 1
702 . 1 1 57 57 SER HB3 H 1 4.100 0.014 . 2 . 897 . . 52 SER HB3 . 17403 1
703 . 1 1 57 57 SER C C 13 174.678 . . 1 . 629 . . 52 SER C . 17403 1
704 . 1 1 57 57 SER CA C 13 61.462 0.05 . 1 . 344 . . 52 SER CA . 17403 1
705 . 1 1 57 57 SER CB C 13 62.560 0.052 . 1 . 343 . . 52 SER CB . 17403 1
706 . 1 1 57 57 SER N N 15 118.822 0.025 . 1 . 216 . . 52 SER N . 17403 1
707 . 1 1 58 58 LEU H H 1 7.166 0.014 . 1 . 84 . . 53 LEU H . 17403 1
708 . 1 1 58 58 LEU HA H 1 4.392 0.01 . 1 . 806 . . 53 LEU HA . 17403 1
709 . 1 1 58 58 LEU HB2 H 1 1.763 0.004 . 2 . 900 . . 53 LEU HB2 . 17403 1
710 . 1 1 58 58 LEU HB3 H 1 1.619 0.012 . 2 . 899 . . 53 LEU HB3 . 17403 1
711 . 1 1 58 58 LEU HG H 1 1.763 0.005 . 1 . 1523 . . 53 LEU HG . 17403 1
712 . 1 1 58 58 LEU HD11 H 1 0.846 0.021 . 2 . 1524 . . 53 LEU HD11 . 17403 1
713 . 1 1 58 58 LEU HD12 H 1 0.846 0.021 . 2 . 1524 . . 53 LEU HD12 . 17403 1
714 . 1 1 58 58 LEU HD13 H 1 0.846 0.021 . 2 . 1524 . . 53 LEU HD13 . 17403 1
715 . 1 1 58 58 LEU HD21 H 1 0.599 0.016 . 2 . 1521 . . 53 LEU HD21 . 17403 1
716 . 1 1 58 58 LEU HD22 H 1 0.599 0.016 . 2 . 1521 . . 53 LEU HD22 . 17403 1
717 . 1 1 58 58 LEU HD23 H 1 0.599 0.016 . 2 . 1521 . . 53 LEU HD23 . 17403 1
718 . 1 1 58 58 LEU C C 13 175.719 . . 1 . 539 . . 53 LEU C . 17403 1
719 . 1 1 58 58 LEU CA C 13 54.182 0.041 . 1 . 471 . . 53 LEU CA . 17403 1
720 . 1 1 58 58 LEU CB C 13 41.636 0.046 . 1 . 470 . . 53 LEU CB . 17403 1
721 . 1 1 58 58 LEU CG C 13 25.812 0.028 . 1 . 1526 . . 53 LEU CG . 17403 1
722 . 1 1 58 58 LEU CD1 C 13 22.166 0.021 . 2 . 1525 . . 53 LEU CD1 . 17403 1
723 . 1 1 58 58 LEU CD2 C 13 26.410 0.026 . 2 . 1522 . . 53 LEU CD2 . 17403 1
724 . 1 1 58 58 LEU N N 15 122.531 0.03 . 1 . 85 . . 53 LEU N . 17403 1
725 . 1 1 59 59 GLU H H 1 7.947 0.006 . 1 . 256 . . 54 GLU H . 17403 1
726 . 1 1 59 59 GLU HA H 1 3.823 0.004 . 1 . 777 . . 54 GLU HA . 17403 1
727 . 1 1 59 59 GLU HB2 H 1 2.407 0.001 . 2 . 902 . . 54 GLU HB2 . 17403 1
728 . 1 1 59 59 GLU HB3 H 1 2.265 0.014 . 2 . 901 . . 54 GLU HB3 . 17403 1
729 . 1 1 59 59 GLU HG2 H 1 2.199 0.006 . 2 . 1264 . . 54 GLU HG2 . 17403 1
730 . 1 1 59 59 GLU HG3 H 1 2.140 0.005 . 2 . 1265 . . 54 GLU HG3 . 17403 1
731 . 1 1 59 59 GLU C C 13 175.907 . . 1 . 620 . . 54 GLU C . 17403 1
732 . 1 1 59 59 GLU CA C 13 57.582 0.034 . 1 . 350 . . 54 GLU CA . 17403 1
733 . 1 1 59 59 GLU CB C 13 26.378 0.035 . 1 . 349 . . 54 GLU CB . 17403 1
734 . 1 1 59 59 GLU CG C 13 36.625 0.017 . 1 . 1266 . . 54 GLU CG . 17403 1
735 . 1 1 59 59 GLU N N 15 110.245 0.031 . 1 . 257 . . 54 GLU N . 17403 1
736 . 1 1 60 60 LEU H H 1 7.206 0.016 . 1 . 96 . . 55 LEU H . 17403 1
737 . 1 1 60 60 LEU HA H 1 4.465 0.005 . 1 . 737 . . 55 LEU HA . 17403 1
738 . 1 1 60 60 LEU HB2 H 1 1.404 0.008 . 2 . 904 . . 55 LEU HB2 . 17403 1
739 . 1 1 60 60 LEU HB3 H 1 0.933 0.017 . 2 . 903 . . 55 LEU HB3 . 17403 1
740 . 1 1 60 60 LEU HG H 1 1.497 0.011 . 1 . 1387 . . 55 LEU HG . 17403 1
741 . 1 1 60 60 LEU HD11 H 1 0.542 0.008 . 2 . 1690 . . 55 LEU HD11 . 17403 1
742 . 1 1 60 60 LEU HD12 H 1 0.542 0.008 . 2 . 1690 . . 55 LEU HD12 . 17403 1
743 . 1 1 60 60 LEU HD13 H 1 0.542 0.008 . 2 . 1690 . . 55 LEU HD13 . 17403 1
744 . 1 1 60 60 LEU HD21 H 1 0.541 0.002 . 2 . 1389 . . 55 LEU HD21 . 17403 1
745 . 1 1 60 60 LEU HD22 H 1 0.541 0.002 . 2 . 1389 . . 55 LEU HD22 . 17403 1
746 . 1 1 60 60 LEU HD23 H 1 0.541 0.002 . 2 . 1389 . . 55 LEU HD23 . 17403 1
747 . 1 1 60 60 LEU C C 13 176.084 . . 1 . 573 . . 55 LEU C . 17403 1
748 . 1 1 60 60 LEU CA C 13 53.783 0.053 . 1 . 319 . . 55 LEU CA . 17403 1
749 . 1 1 60 60 LEU CB C 13 42.251 0.041 . 1 . 318 . . 55 LEU CB . 17403 1
750 . 1 1 60 60 LEU CG C 13 26.167 0.041 . 1 . 1388 . . 55 LEU CG . 17403 1
751 . 1 1 60 60 LEU CD1 C 13 24.742 0.03 . 2 . 1689 . . 55 LEU CD1 . 17403 1
752 . 1 1 60 60 LEU CD2 C 13 22.531 0.03 . 2 . 1390 . . 55 LEU CD2 . 17403 1
753 . 1 1 60 60 LEU N N 15 117.505 0.017 . 1 . 97 . . 55 LEU N . 17403 1
754 . 1 1 61 61 LYS H H 1 8.658 0.005 . 1 . 31 . . 56 LYS H . 17403 1
755 . 1 1 61 61 LYS HA H 1 4.476 0.005 . 1 . 732 . . 56 LYS HA . 17403 1
756 . 1 1 61 61 LYS HB2 H 1 1.686 0.018 . 2 . 906 . . 56 LYS HB2 . 17403 1
757 . 1 1 61 61 LYS HB3 H 1 1.541 0.014 . 2 . 905 . . 56 LYS HB3 . 17403 1
758 . 1 1 61 61 LYS HG2 H 1 1.256 0.011 . 2 . 1144 . . 56 LYS HG2 . 17403 1
759 . 1 1 61 61 LYS HG3 H 1 1.340 0.009 . 2 . 1143 . . 56 LYS HG3 . 17403 1
760 . 1 1 61 61 LYS HD2 H 1 1.604 0.006 . 2 . 1458 . . 56 LYS HD2 . 17403 1
761 . 1 1 61 61 LYS HD3 H 1 1.586 0.001 . 2 . 1457 . . 56 LYS HD3 . 17403 1
762 . 1 1 61 61 LYS HE2 H 1 2.960 0.0 . 2 . 1460 . . 56 LYS HE2 . 17403 1
763 . 1 1 61 61 LYS HE3 H 1 2.934 0.017 . 2 . 1459 . . 56 LYS HE3 . 17403 1
764 . 1 1 61 61 LYS C C 13 175.941 . . 1 . 588 . . 56 LYS C . 17403 1
765 . 1 1 61 61 LYS CA C 13 55.150 0.041 . 1 . 484 . . 56 LYS CA . 17403 1
766 . 1 1 61 61 LYS CB C 13 32.302 0.043 . 1 . 485 . . 56 LYS CB . 17403 1
767 . 1 1 61 61 LYS CG C 13 24.451 0.038 . 1 . 1145 . . 56 LYS CG . 17403 1
768 . 1 1 61 61 LYS CD C 13 29.048 0.002 . 1 . 1456 . . 56 LYS CD . 17403 1
769 . 1 1 61 61 LYS CE C 13 41.941 . . 1 . 1461 . . 56 LYS CE . 17403 1
770 . 1 1 61 61 LYS N N 15 123.658 0.022 . 1 . 32 . . 56 LYS N . 17403 1
771 . 1 1 62 62 VAL H H 1 8.058 0.006 . 1 . 274 . . 57 VAL H . 17403 1
772 . 1 1 62 62 VAL HA H 1 5.582 0.005 . 1 . 739 . . 57 VAL HA . 17403 1
773 . 1 1 62 62 VAL HB H 1 1.945 0.004 . 1 . 673 . . 57 VAL HB . 17403 1
774 . 1 1 62 62 VAL HG11 H 1 0.885 0.011 . 2 . 1224 . . 57 VAL HG11 . 17403 1
775 . 1 1 62 62 VAL HG12 H 1 0.885 0.011 . 2 . 1224 . . 57 VAL HG12 . 17403 1
776 . 1 1 62 62 VAL HG13 H 1 0.885 0.011 . 2 . 1224 . . 57 VAL HG13 . 17403 1
777 . 1 1 62 62 VAL HG21 H 1 0.898 0.005 . 2 . 1225 . . 57 VAL HG21 . 17403 1
778 . 1 1 62 62 VAL HG22 H 1 0.898 0.005 . 2 . 1225 . . 57 VAL HG22 . 17403 1
779 . 1 1 62 62 VAL HG23 H 1 0.898 0.005 . 2 . 1225 . . 57 VAL HG23 . 17403 1
780 . 1 1 62 62 VAL C C 13 175.405 . . 1 . 583 . . 57 VAL C . 17403 1
781 . 1 1 62 62 VAL CA C 13 58.259 0.052 . 1 . 684 . . 57 VAL CA . 17403 1
782 . 1 1 62 62 VAL CB C 13 35.738 0.057 . 1 . 683 . . 57 VAL CB . 17403 1
783 . 1 1 62 62 VAL CG1 C 13 23.201 0.035 . 2 . 1564 . . 57 VAL CG1 . 17403 1
784 . 1 1 62 62 VAL CG2 C 13 20.246 0.024 . 2 . 1565 . . 57 VAL CG2 . 17403 1
785 . 1 1 62 62 VAL N N 15 118.315 0.049 . 1 . 275 . . 57 VAL N . 17403 1
786 . 1 1 63 63 LYS H H 1 8.240 0.008 . 1 . 69 . . 58 LYS H . 17403 1
787 . 1 1 63 63 LYS HA H 1 4.462 0.004 . 1 . 721 . . 58 LYS HA . 17403 1
788 . 1 1 63 63 LYS HB2 H 1 1.749 0.015 . 2 . 908 . . 58 LYS HB2 . 17403 1
789 . 1 1 63 63 LYS HB3 H 1 1.681 0.003 . 2 . 907 . . 58 LYS HB3 . 17403 1
790 . 1 1 63 63 LYS HG2 H 1 1.296 0.003 . 2 . 1462 . . 58 LYS HG2 . 17403 1
791 . 1 1 63 63 LYS HG3 H 1 1.296 0.003 . 2 . 1463 . . 58 LYS HG3 . 17403 1
792 . 1 1 63 63 LYS HD2 H 1 1.589 0.008 . 2 . 1465 . . 58 LYS HD2 . 17403 1
793 . 1 1 63 63 LYS HD3 H 1 1.587 0.008 . 2 . 1466 . . 58 LYS HD3 . 17403 1
794 . 1 1 63 63 LYS HE2 H 1 2.809 0.002 . 2 . 1469 . . 58 LYS HE2 . 17403 1
795 . 1 1 63 63 LYS HE3 H 1 2.889 0.006 . 2 . 1468 . . 58 LYS HE3 . 17403 1
796 . 1 1 63 63 LYS C C 13 173.797 . . 1 . 572 . . 58 LYS C . 17403 1
797 . 1 1 63 63 LYS CA C 13 55.787 0.041 . 1 . 322 . . 58 LYS CA . 17403 1
798 . 1 1 63 63 LYS CB C 13 36.154 0.053 . 1 . 323 . . 58 LYS CB . 17403 1
799 . 1 1 63 63 LYS CG C 13 24.254 0.017 . 1 . 1464 . . 58 LYS CG . 17403 1
800 . 1 1 63 63 LYS CD C 13 29.230 0.018 . 1 . 1467 . . 58 LYS CD . 17403 1
801 . 1 1 63 63 LYS CE C 13 41.859 0.041 . 1 . 1470 . . 58 LYS CE . 17403 1
802 . 1 1 63 63 LYS N N 15 120.881 0.051 . 1 . 70 . . 58 LYS N . 17403 1
803 . 1 1 64 64 GLN H H 1 9.010 0.004 . 1 . 37 . . 59 GLN H . 17403 1
804 . 1 1 64 64 GLN HA H 1 5.028 0.004 . 1 . 793 . . 59 GLN HA . 17403 1
805 . 1 1 64 64 GLN HB2 H 1 1.975 0.003 . 2 . 910 . . 59 GLN HB2 . 17403 1
806 . 1 1 64 64 GLN HB3 H 1 1.720 0.004 . 2 . 909 . . 59 GLN HB3 . 17403 1
807 . 1 1 64 64 GLN HG2 H 1 2.141 0.014 . 2 . 1150 . . 59 GLN HG2 . 17403 1
808 . 1 1 64 64 GLN HG3 H 1 2.119 0.012 . 2 . 1149 . . 59 GLN HG3 . 17403 1
809 . 1 1 64 64 GLN HE21 H 1 7.134 0.003 . 1 . 122 . . 59 GLN HE21 . 17403 1
810 . 1 1 64 64 GLN HE22 H 1 6.605 0.003 . 1 . 207 . . 59 GLN HE22 . 17403 1
811 . 1 1 64 64 GLN C C 13 174.702 . . 1 . 552 . . 59 GLN C . 17403 1
812 . 1 1 64 64 GLN CA C 13 54.809 0.039 . 1 . 492 . . 59 GLN CA . 17403 1
813 . 1 1 64 64 GLN CB C 13 29.772 0.021 . 1 . 493 . . 59 GLN CB . 17403 1
814 . 1 1 64 64 GLN CG C 13 33.960 0.025 . 1 . 1151 . . 59 GLN CG . 17403 1
815 . 1 1 64 64 GLN N N 15 125.735 0.02 . 1 . 38 . . 59 GLN N . 17403 1
816 . 1 1 64 64 GLN NE2 N 15 110.366 0.029 . 1 . 123 . . 59 GLN NE2 . 17403 1
817 . 1 1 65 65 VAL H H 1 9.213 0.008 . 1 . 280 . . 60 VAL H . 17403 1
818 . 1 1 65 65 VAL HA H 1 4.704 0.003 . 1 . 734 . . 60 VAL HA . 17403 1
819 . 1 1 65 65 VAL HB H 1 2.108 0.002 . 1 . 911 . . 60 VAL HB . 17403 1
820 . 1 1 65 65 VAL HG11 H 1 0.798 0.018 . 2 . 1227 . . 60 VAL HG11 . 17403 1
821 . 1 1 65 65 VAL HG12 H 1 0.798 0.018 . 2 . 1227 . . 60 VAL HG12 . 17403 1
822 . 1 1 65 65 VAL HG13 H 1 0.798 0.018 . 2 . 1227 . . 60 VAL HG13 . 17403 1
823 . 1 1 65 65 VAL HG21 H 1 0.884 0.004 . 2 . 1228 . . 60 VAL HG21 . 17403 1
824 . 1 1 65 65 VAL HG22 H 1 0.884 0.004 . 2 . 1228 . . 60 VAL HG22 . 17403 1
825 . 1 1 65 65 VAL HG23 H 1 0.884 0.004 . 2 . 1228 . . 60 VAL HG23 . 17403 1
826 . 1 1 65 65 VAL C C 13 174.104 . . 1 . 616 . . 60 VAL C . 17403 1
827 . 1 1 65 65 VAL CA C 13 59.633 0.045 . 1 . 338 . . 60 VAL CA . 17403 1
828 . 1 1 65 65 VAL CB C 13 35.858 0.035 . 1 . 1226 . . 60 VAL CB . 17403 1
829 . 1 1 65 65 VAL CG1 C 13 19.980 0.03 . 2 . 1229 . . 60 VAL CG1 . 17403 1
830 . 1 1 65 65 VAL CG2 C 13 22.263 0.041 . 2 . 1230 . . 60 VAL CG2 . 17403 1
831 . 1 1 65 65 VAL N N 15 120.546 0.032 . 1 . 281 . . 60 VAL N . 17403 1
832 . 1 1 66 66 LYS H H 1 8.441 0.004 . 1 . 1646 . . 61 LYS H . 17403 1
833 . 1 1 66 66 LYS HA H 1 5.031 0.006 . 1 . 723 . . 61 LYS HA . 17403 1
834 . 1 1 66 66 LYS HB2 H 1 1.597 0.012 . 2 . 912 . . 61 LYS HB2 . 17403 1
835 . 1 1 66 66 LYS HB3 H 1 1.706 0.005 . 2 . 913 . . 61 LYS HB3 . 17403 1
836 . 1 1 66 66 LYS HG2 H 1 1.038 0.003 . 2 . 1586 . . 61 LYS HG2 . 17403 1
837 . 1 1 66 66 LYS HG3 H 1 1.241 0.009 . 2 . 1471 . . 61 LYS HG3 . 17403 1
838 . 1 1 66 66 LYS HD2 H 1 1.569 0.005 . 2 . 1472 . . 61 LYS HD2 . 17403 1
839 . 1 1 66 66 LYS HD3 H 1 1.567 0.003 . 2 . 1473 . . 61 LYS HD3 . 17403 1
840 . 1 1 66 66 LYS HE2 H 1 2.805 0.009 . 2 . 1476 . . 61 LYS HE2 . 17403 1
841 . 1 1 66 66 LYS HE3 H 1 2.805 0.008 . 2 . 1475 . . 61 LYS HE3 . 17403 1
842 . 1 1 66 66 LYS C C 13 176.706 . . 1 . 614 . . 61 LYS C . 17403 1
843 . 1 1 66 66 LYS CA C 13 54.924 0.039 . 1 . 355 . . 61 LYS CA . 17403 1
844 . 1 1 66 66 LYS CB C 13 32.965 0.042 . 1 . 356 . . 61 LYS CB . 17403 1
845 . 1 1 66 66 LYS CG C 13 24.776 0.042 . 1 . 1587 . . 61 LYS CG . 17403 1
846 . 1 1 66 66 LYS CD C 13 29.149 0.045 . 1 . 1474 . . 61 LYS CD . 17403 1
847 . 1 1 66 66 LYS CE C 13 41.652 . . 1 . 1477 . . 61 LYS CE . 17403 1
848 . 1 1 66 66 LYS N N 15 124.039 0.035 . 1 . 73 . . 61 LYS N . 17403 1
849 . 1 1 67 67 LYS H H 1 7.705 0.002 . 1 . 106 . . 62 LYS H . 17403 1
850 . 1 1 67 67 LYS HA H 1 4.943 0.003 . 1 . 811 . . 62 LYS HA . 17403 1
851 . 1 1 67 67 LYS HB2 H 1 1.554 0.004 . 2 . 914 . . 62 LYS HB2 . 17403 1
852 . 1 1 67 67 LYS HB3 H 1 1.625 0.018 . 2 . 915 . . 62 LYS HB3 . 17403 1
853 . 1 1 67 67 LYS HG2 H 1 1.279 0.019 . 2 . 1479 . . 62 LYS HG2 . 17403 1
854 . 1 1 67 67 LYS HG3 H 1 1.220 0.021 . 2 . 1478 . . 62 LYS HG3 . 17403 1
855 . 1 1 67 67 LYS HD2 H 1 1.897 0.019 . 2 . 1665 . . 62 LYS HD2 . 17403 1
856 . 1 1 67 67 LYS HD3 H 1 1.475 0.006 . 2 . 1481 . . 62 LYS HD3 . 17403 1
857 . 1 1 67 67 LYS HE2 H 1 2.811 0.005 . 2 . 1662 . . 62 LYS HE2 . 17403 1
858 . 1 1 67 67 LYS HE3 H 1 2.811 0.005 . 2 . 1663 . . 62 LYS HE3 . 17403 1
859 . 1 1 67 67 LYS C C 13 176.977 . . 1 . 645 . . 62 LYS C . 17403 1
860 . 1 1 67 67 LYS CA C 13 53.047 0.051 . 1 . 423 . . 62 LYS CA . 17403 1
861 . 1 1 67 67 LYS CB C 13 36.680 0.044 . 1 . 422 . . 62 LYS CB . 17403 1
862 . 1 1 67 67 LYS CG C 13 24.765 0.059 . 1 . 1480 . . 62 LYS CG . 17403 1
863 . 1 1 67 67 LYS CD C 13 28.798 0.027 . 1 . 1664 . . 62 LYS CD . 17403 1
864 . 1 1 67 67 LYS CE C 13 41.932 0.011 . 1 . 1666 . . 62 LYS CE . 17403 1
865 . 1 1 67 67 LYS N N 15 122.232 0.015 . 1 . 107 . . 62 LYS N . 17403 1
866 . 1 1 68 68 THR H H 1 8.315 0.008 . 1 . 199 . . 63 THR H . 17403 1
867 . 1 1 68 68 THR HA H 1 4.601 0.006 . 1 . 726 . . 63 THR HA . 17403 1
868 . 1 1 68 68 THR HB H 1 4.613 0.006 . 1 . 1169 . . 63 THR HB . 17403 1
869 . 1 1 68 68 THR HG1 H 1 8.120 . . 1 . 1677 . . 63 THR HG1 . 17403 1
870 . 1 1 68 68 THR HG21 H 1 1.357 0.002 . 1 . 1170 . . 63 THR HG21 . 17403 1
871 . 1 1 68 68 THR HG22 H 1 1.357 0.002 . 1 . 1170 . . 63 THR HG22 . 17403 1
872 . 1 1 68 68 THR HG23 H 1 1.357 0.002 . 1 . 1170 . . 63 THR HG23 . 17403 1
873 . 1 1 68 68 THR C C 13 176.340 . . 1 . 665 . . 63 THR C . 17403 1
874 . 1 1 68 68 THR CA C 13 61.698 0.048 . 1 . 342 . . 63 THR CA . 17403 1
875 . 1 1 68 68 THR CB C 13 69.668 0.058 . 1 . 341 . . 63 THR CB . 17403 1
876 . 1 1 68 68 THR CG2 C 13 22.918 0.03 . 1 . 1171 . . 63 THR CG2 . 17403 1
877 . 1 1 68 68 THR N N 15 116.829 0.044 . 1 . 200 . . 63 THR N . 17403 1
878 . 1 1 69 69 ILE H H 1 8.891 0.004 . 1 . 82 . . 64 ILE H . 17403 1
879 . 1 1 69 69 ILE HA H 1 3.594 0.002 . 1 . 671 . . 64 ILE HA . 17403 1
880 . 1 1 69 69 ILE HB H 1 1.951 0.004 . 1 . 916 . . 64 ILE HB . 17403 1
881 . 1 1 69 69 ILE HG12 H 1 1.102 0.012 . 2 . 1290 . . 64 ILE HG12 . 17403 1
882 . 1 1 69 69 ILE HG13 H 1 1.634 0.003 . 2 . 1291 . . 64 ILE HG13 . 17403 1
883 . 1 1 69 69 ILE HG21 H 1 0.980 0.017 . 1 . 1289 . . 64 ILE HG21 . 17403 1
884 . 1 1 69 69 ILE HG22 H 1 0.980 0.017 . 1 . 1289 . . 64 ILE HG22 . 17403 1
885 . 1 1 69 69 ILE HG23 H 1 0.980 0.017 . 1 . 1289 . . 64 ILE HG23 . 17403 1
886 . 1 1 69 69 ILE HD11 H 1 0.952 0.013 . 1 . 1293 . . 64 ILE HD11 . 17403 1
887 . 1 1 69 69 ILE HD12 H 1 0.952 0.013 . 1 . 1293 . . 64 ILE HD12 . 17403 1
888 . 1 1 69 69 ILE HD13 H 1 0.952 0.013 . 1 . 1293 . . 64 ILE HD13 . 17403 1
889 . 1 1 69 69 ILE C C 13 177.481 . . 1 . 651 . . 64 ILE C . 17403 1
890 . 1 1 69 69 ILE CA C 13 64.753 0.047 . 1 . 491 . . 64 ILE CA . 17403 1
891 . 1 1 69 69 ILE CB C 13 38.034 0.034 . 1 . 490 . . 64 ILE CB . 17403 1
892 . 1 1 69 69 ILE CG1 C 13 29.950 0.034 . 1 . 1294 . . 64 ILE CG1 . 17403 1
893 . 1 1 69 69 ILE CG2 C 13 16.878 0.039 . 1 . 1292 . . 64 ILE CG2 . 17403 1
894 . 1 1 69 69 ILE CD1 C 13 14.359 0.028 . 1 . 1295 . . 64 ILE CD1 . 17403 1
895 . 1 1 69 69 ILE N N 15 120.309 0.034 . 1 . 83 . . 64 ILE N . 17403 1
896 . 1 1 70 70 ASP H H 1 8.700 0.003 . 1 . 278 . . 65 ASP H . 17403 1
897 . 1 1 70 70 ASP HA H 1 4.398 0.003 . 1 . 752 . . 65 ASP HA . 17403 1
898 . 1 1 70 70 ASP HB2 H 1 2.709 0.005 . 2 . 918 . . 65 ASP HB2 . 17403 1
899 . 1 1 70 70 ASP HB3 H 1 2.709 0.003 . 2 . 917 . . 65 ASP HB3 . 17403 1
900 . 1 1 70 70 ASP C C 13 177.322 . . 1 . 638 . . 65 ASP C . 17403 1
901 . 1 1 70 70 ASP CA C 13 55.758 0.053 . 1 . 317 . . 65 ASP CA . 17403 1
902 . 1 1 70 70 ASP CB C 13 40.014 0.028 . 1 . 316 . . 65 ASP CB . 17403 1
903 . 1 1 70 70 ASP N N 15 118.224 0.017 . 1 . 279 . . 65 ASP N . 17403 1
904 . 1 1 71 71 ARG H H 1 7.606 0.005 . 1 . 25 . . 66 ARG H . 17403 1
905 . 1 1 71 71 ARG HA H 1 4.537 0.002 . 1 . 763 . . 66 ARG HA . 17403 1
906 . 1 1 71 71 ARG HB2 H 1 1.826 0.016 . 2 . 919 . . 66 ARG HB2 . 17403 1
907 . 1 1 71 71 ARG HB3 H 1 2.235 0.004 . 2 . 1187 . . 66 ARG HB3 . 17403 1
908 . 1 1 71 71 ARG HG2 H 1 1.680 0.016 . 2 . 1188 . . 66 ARG HG2 . 17403 1
909 . 1 1 71 71 ARG HG3 H 1 1.852 0.014 . 2 . 1190 . . 66 ARG HG3 . 17403 1
910 . 1 1 71 71 ARG HD2 H 1 3.152 0.003 . 2 . 1191 . . 66 ARG HD2 . 17403 1
911 . 1 1 71 71 ARG HD3 H 1 3.152 0.003 . 2 . 1192 . . 66 ARG HD3 . 17403 1
912 . 1 1 71 71 ARG HE H 1 7.239 . . 1 . 1652 . . 66 ARG HE . 17403 1
913 . 1 1 71 71 ARG C C 13 178.337 . . 1 . 661 . . 66 ARG C . 17403 1
914 . 1 1 71 71 ARG CA C 13 55.089 0.046 . 1 . 337 . . 66 ARG CA . 17403 1
915 . 1 1 71 71 ARG CB C 13 29.675 0.023 . 1 . 336 . . 66 ARG CB . 17403 1
916 . 1 1 71 71 ARG CG C 13 26.202 0.037 . 1 . 1189 . . 66 ARG CG . 17403 1
917 . 1 1 71 71 ARG CD C 13 42.165 0.042 . 1 . 1193 . . 66 ARG CD . 17403 1
918 . 1 1 71 71 ARG N N 15 116.055 0.025 . 1 . 26 . . 66 ARG N . 17403 1
919 . 1 1 71 71 ARG NE N 15 85.562 . . 1 . 1653 . . 66 ARG NE . 17403 1
920 . 1 1 72 72 LEU H H 1 7.669 0.012 . 1 . 71 . . 67 LEU H . 17403 1
921 . 1 1 72 72 LEU HA H 1 4.017 0.006 . 1 . 767 . . 67 LEU HA . 17403 1
922 . 1 1 72 72 LEU HB2 H 1 1.235 0.006 . 2 . 920 . . 67 LEU HB2 . 17403 1
923 . 1 1 72 72 LEU HB3 H 1 1.920 0.014 . 2 . 921 . . 67 LEU HB3 . 17403 1
924 . 1 1 72 72 LEU HG H 1 1.808 0.01 . 1 . 1417 . . 67 LEU HG . 17403 1
925 . 1 1 72 72 LEU HD11 H 1 0.625 0.009 . 2 . 1419 . . 67 LEU HD11 . 17403 1
926 . 1 1 72 72 LEU HD12 H 1 0.625 0.009 . 2 . 1419 . . 67 LEU HD12 . 17403 1
927 . 1 1 72 72 LEU HD13 H 1 0.625 0.009 . 2 . 1419 . . 67 LEU HD13 . 17403 1
928 . 1 1 72 72 LEU HD21 H 1 0.503 0.002 . 2 . 1420 . . 67 LEU HD21 . 17403 1
929 . 1 1 72 72 LEU HD22 H 1 0.503 0.002 . 2 . 1420 . . 67 LEU HD22 . 17403 1
930 . 1 1 72 72 LEU HD23 H 1 0.503 0.002 . 2 . 1420 . . 67 LEU HD23 . 17403 1
931 . 1 1 72 72 LEU C C 13 176.363 . . 1 . 551 . . 67 LEU C . 17403 1
932 . 1 1 72 72 LEU CA C 13 56.596 0.048 . 1 . 357 . . 67 LEU CA . 17403 1
933 . 1 1 72 72 LEU CB C 13 40.832 0.041 . 1 . 358 . . 67 LEU CB . 17403 1
934 . 1 1 72 72 LEU CG C 13 25.952 0.032 . 1 . 1418 . . 67 LEU CG . 17403 1
935 . 1 1 72 72 LEU CD1 C 13 22.591 0.043 . 2 . 1422 . . 67 LEU CD1 . 17403 1
936 . 1 1 72 72 LEU CD2 C 13 26.553 0.044 . 2 . 1421 . . 67 LEU CD2 . 17403 1
937 . 1 1 72 72 LEU N N 15 119.208 0.042 . 1 . 72 . . 67 LEU N . 17403 1
938 . 1 1 73 73 ASN H H 1 7.554 0.005 . 1 . 110 . . 68 ASN H . 17403 1
939 . 1 1 73 73 ASN HA H 1 4.196 0.006 . 1 . 680 . . 68 ASN HA . 17403 1
940 . 1 1 73 73 ASN HB2 H 1 2.129 0.009 . 2 . 922 . . 68 ASN HB2 . 17403 1
941 . 1 1 73 73 ASN HB3 H 1 2.130 0.008 . 2 . 1132 . . 68 ASN HB3 . 17403 1
942 . 1 1 73 73 ASN HD21 H 1 6.593 0.003 . 1 . 217 . . 68 ASN HD21 . 17403 1
943 . 1 1 73 73 ASN HD22 H 1 7.123 0.017 . 1 . 144 . . 68 ASN HD22 . 17403 1
944 . 1 1 73 73 ASN C C 13 174.638 . . 1 . 649 . . 68 ASN C . 17403 1
945 . 1 1 73 73 ASN CA C 13 54.618 0.051 . 1 . 371 . . 68 ASN CA . 17403 1
946 . 1 1 73 73 ASN CB C 13 38.027 0.037 . 1 . 372 . . 68 ASN CB . 17403 1
947 . 1 1 73 73 ASN N N 15 113.203 0.045 . 1 . 111 . . 68 ASN N . 17403 1
948 . 1 1 73 73 ASN ND2 N 15 112.308 0.039 . 1 . 145 . . 68 ASN ND2 . 17403 1
949 . 1 1 74 74 PHE H H 1 7.459 0.003 . 1 . 132 . . 69 PHE H . 17403 1
950 . 1 1 74 74 PHE HA H 1 4.762 0.003 . 1 . 923 . . 69 PHE HA . 17403 1
951 . 1 1 74 74 PHE HB2 H 1 2.748 0.017 . 2 . 924 . . 69 PHE HB2 . 17403 1
952 . 1 1 74 74 PHE HB3 H 1 3.505 0.002 . 2 . 925 . . 69 PHE HB3 . 17403 1
953 . 1 1 74 74 PHE HD1 H 1 7.193 0.004 . 3 . 1098 . . 69 PHE HD1 . 17403 1
954 . 1 1 74 74 PHE HD2 H 1 7.193 0.004 . 3 . 1098 . . 69 PHE HD2 . 17403 1
955 . 1 1 74 74 PHE HE1 H 1 7.363 0.003 . 3 . 1100 . . 69 PHE HE1 . 17403 1
956 . 1 1 74 74 PHE HE2 H 1 7.363 0.003 . 3 . 1100 . . 69 PHE HE2 . 17403 1
957 . 1 1 74 74 PHE HZ H 1 7.294 0.003 . 1 . 1102 . . 69 PHE HZ . 17403 1
958 . 1 1 74 74 PHE C C 13 175.816 . . 1 . 563 . . 69 PHE C . 17403 1
959 . 1 1 74 74 PHE CA C 13 57.109 0.043 . 1 . 440 . . 69 PHE CA . 17403 1
960 . 1 1 74 74 PHE CB C 13 39.792 0.037 . 1 . 439 . . 69 PHE CB . 17403 1
961 . 1 1 74 74 PHE CD1 C 13 131.802 0.068 . 3 . 1099 . . 69 PHE CD1 . 17403 1
962 . 1 1 74 74 PHE CD2 C 13 131.802 0.068 . 3 . 1099 . . 69 PHE CD2 . 17403 1
963 . 1 1 74 74 PHE CE1 C 13 131.607 0.045 . 3 . 1101 . . 69 PHE CE1 . 17403 1
964 . 1 1 74 74 PHE CE2 C 13 131.607 0.045 . 3 . 1101 . . 69 PHE CE2 . 17403 1
965 . 1 1 74 74 PHE CZ C 13 129.736 0.001 . 1 . 1103 . . 69 PHE CZ . 17403 1
966 . 1 1 74 74 PHE N N 15 115.251 0.034 . 1 . 133 . . 69 PHE N . 17403 1
967 . 1 1 75 75 ILE H H 1 6.855 0.004 . 1 . 224 . . 70 ILE H . 17403 1
968 . 1 1 75 75 ILE HA H 1 4.611 0.006 . 1 . 773 . . 70 ILE HA . 17403 1
969 . 1 1 75 75 ILE HB H 1 1.976 0.004 . 1 . 926 . . 70 ILE HB . 17403 1
970 . 1 1 75 75 ILE HG12 H 1 1.316 0.014 . 2 . 1298 . . 70 ILE HG12 . 17403 1
971 . 1 1 75 75 ILE HG13 H 1 1.240 0.003 . 2 . 1297 . . 70 ILE HG13 . 17403 1
972 . 1 1 75 75 ILE HG21 H 1 0.931 0.015 . 1 . 1296 . . 70 ILE HG21 . 17403 1
973 . 1 1 75 75 ILE HG22 H 1 0.931 0.015 . 1 . 1296 . . 70 ILE HG22 . 17403 1
974 . 1 1 75 75 ILE HG23 H 1 0.931 0.015 . 1 . 1296 . . 70 ILE HG23 . 17403 1
975 . 1 1 75 75 ILE HD11 H 1 0.724 0.021 . 1 . 1300 . . 70 ILE HD11 . 17403 1
976 . 1 1 75 75 ILE HD12 H 1 0.724 0.021 . 1 . 1300 . . 70 ILE HD12 . 17403 1
977 . 1 1 75 75 ILE HD13 H 1 0.724 0.021 . 1 . 1300 . . 70 ILE HD13 . 17403 1
978 . 1 1 75 75 ILE C C 13 175.458 . . 1 . 663 . . 70 ILE C . 17403 1
979 . 1 1 75 75 ILE CA C 13 60.104 0.038 . 1 . 462 . . 70 ILE CA . 17403 1
980 . 1 1 75 75 ILE CB C 13 40.083 0.044 . 1 . 461 . . 70 ILE CB . 17403 1
981 . 1 1 75 75 ILE CG1 C 13 25.261 0.04 . 1 . 1301 . . 70 ILE CG1 . 17403 1
982 . 1 1 75 75 ILE CG2 C 13 17.833 0.027 . 1 . 1299 . . 70 ILE CG2 . 17403 1
983 . 1 1 75 75 ILE CD1 C 13 15.349 0.034 . 1 . 1302 . . 70 ILE CD1 . 17403 1
984 . 1 1 75 75 ILE N N 15 112.876 0.039 . 1 . 225 . . 70 ILE N . 17403 1
985 . 1 1 76 76 SER H H 1 8.279 0.01 . 1 . 247 . . 71 SER H . 17403 1
986 . 1 1 76 76 SER HA H 1 4.431 0.022 . 1 . 809 . . 71 SER HA . 17403 1
987 . 1 1 76 76 SER HB2 H 1 3.934 0.016 . 2 . 679 . . 71 SER HB2 . 17403 1
988 . 1 1 76 76 SER HB3 H 1 3.886 0.005 . 2 . 927 . . 71 SER HB3 . 17403 1
989 . 1 1 76 76 SER C C 13 172.567 . . 1 . 546 . . 71 SER C . 17403 1
990 . 1 1 76 76 SER CA C 13 58.528 0.014 . 1 . 505 . . 71 SER CA . 17403 1
991 . 1 1 76 76 SER CB C 13 63.491 0.1 . 1 . 463 . . 71 SER CB . 17403 1
992 . 1 1 76 76 SER N N 15 118.417 0.037 . 1 . 248 . . 71 SER N . 17403 1
993 . 1 1 77 77 LEU H H 1 8.117 0.006 . 1 . 58 . . 72 LEU H . 17403 1
994 . 1 1 77 77 LEU HA H 1 4.393 0.004 . 1 . 741 . . 72 LEU HA . 17403 1
995 . 1 1 77 77 LEU HB2 H 1 1.335 0.015 . 2 . 1679 . . 72 LEU HB2 . 17403 1
996 . 1 1 77 77 LEU HB3 H 1 1.524 0.009 . 2 . 1541 . . 72 LEU HB3 . 17403 1
997 . 1 1 77 77 LEU HG H 1 1.690 0.013 . 1 . 1529 . . 72 LEU HG . 17403 1
998 . 1 1 77 77 LEU HD11 H 1 0.720 0.021 . 2 . 1530 . . 72 LEU HD11 . 17403 1
999 . 1 1 77 77 LEU HD12 H 1 0.720 0.021 . 2 . 1530 . . 72 LEU HD12 . 17403 1
1000 . 1 1 77 77 LEU HD13 H 1 0.720 0.021 . 2 . 1530 . . 72 LEU HD13 . 17403 1
1001 . 1 1 77 77 LEU HD21 H 1 0.777 0.007 . 2 . 1532 . . 72 LEU HD21 . 17403 1
1002 . 1 1 77 77 LEU HD22 H 1 0.777 0.007 . 2 . 1532 . . 72 LEU HD22 . 17403 1
1003 . 1 1 77 77 LEU HD23 H 1 0.777 0.007 . 2 . 1532 . . 72 LEU HD23 . 17403 1
1004 . 1 1 77 77 LEU CA C 13 52.205 0.048 . 1 . 691 . . 72 LEU CA . 17403 1
1005 . 1 1 77 77 LEU CB C 13 42.561 0.037 . 1 . 690 . . 72 LEU CB . 17403 1
1006 . 1 1 77 77 LEU CG C 13 26.383 0.066 . 1 . 1533 . . 72 LEU CG . 17403 1
1007 . 1 1 77 77 LEU CD1 C 13 23.607 0.02 . 2 . 1531 . . 72 LEU CD1 . 17403 1
1008 . 1 1 77 77 LEU CD2 C 13 26.373 0.05 . 2 . 1534 . . 72 LEU CD2 . 17403 1
1009 . 1 1 77 77 LEU N N 15 124.505 0.014 . 1 . 59 . . 72 LEU N . 17403 1
1010 . 1 1 78 78 PRO HA H 1 5.033 0.003 . 1 . 928 . . 73 PRO HA . 17403 1
1011 . 1 1 78 78 PRO HB2 H 1 2.058 0.003 . 2 . 930 . . 73 PRO HB2 . 17403 1
1012 . 1 1 78 78 PRO HB3 H 1 1.561 0.004 . 2 . 929 . . 73 PRO HB3 . 17403 1
1013 . 1 1 78 78 PRO HG2 H 1 0.947 0.011 . 2 . 1115 . . 73 PRO HG2 . 17403 1
1014 . 1 1 78 78 PRO HG3 H 1 1.139 0.012 . 2 . 1116 . . 73 PRO HG3 . 17403 1
1015 . 1 1 78 78 PRO HD2 H 1 3.409 0.011 . 2 . 1119 . . 73 PRO HD2 . 17403 1
1016 . 1 1 78 78 PRO HD3 H 1 3.148 0.008 . 2 . 1118 . . 73 PRO HD3 . 17403 1
1017 . 1 1 78 78 PRO C C 13 175.740 . . 1 . 647 . . 73 PRO C . 17403 1
1018 . 1 1 78 78 PRO CA C 13 61.593 0.052 . 1 . 467 . . 73 PRO CA . 17403 1
1019 . 1 1 78 78 PRO CB C 13 35.839 0.048 . 1 . 466 . . 73 PRO CB . 17403 1
1020 . 1 1 78 78 PRO CG C 13 24.227 0.065 . 1 . 1117 . . 73 PRO CG . 17403 1
1021 . 1 1 78 78 PRO CD C 13 51.138 0.062 . 1 . 1120 . . 73 PRO CD . 17403 1
1022 . 1 1 79 79 ALA H H 1 8.576 0.004 . 1 . 250 . . 74 ALA H . 17403 1
1023 . 1 1 79 79 ALA HA H 1 5.001 0.01 . 1 . 733 . . 74 ALA HA . 17403 1
1024 . 1 1 79 79 ALA HB1 H 1 1.494 0.014 . 1 . 931 . . 74 ALA HB1 . 17403 1
1025 . 1 1 79 79 ALA HB2 H 1 1.494 0.014 . 1 . 931 . . 74 ALA HB2 . 17403 1
1026 . 1 1 79 79 ALA HB3 H 1 1.494 0.014 . 1 . 931 . . 74 ALA HB3 . 17403 1
1027 . 1 1 79 79 ALA C C 13 174.778 . . 1 . 568 . . 74 ALA C . 17403 1
1028 . 1 1 79 79 ALA CA C 13 51.003 0.045 . 1 . 489 . . 74 ALA CA . 17403 1
1029 . 1 1 79 79 ALA CB C 13 23.787 0.034 . 1 . 488 . . 74 ALA CB . 17403 1
1030 . 1 1 79 79 ALA N N 15 123.592 0.025 . 1 . 251 . . 74 ALA N . 17403 1
1031 . 1 1 80 80 LEU H H 1 8.637 0.008 . 1 . 276 . . 75 LEU H . 17403 1
1032 . 1 1 80 80 LEU HA H 1 4.605 0.007 . 1 . 759 . . 75 LEU HA . 17403 1
1033 . 1 1 80 80 LEU HB2 H 1 0.912 0.009 . 2 . 932 . . 75 LEU HB2 . 17403 1
1034 . 1 1 80 80 LEU HB3 H 1 1.768 0.004 . 2 . 933 . . 75 LEU HB3 . 17403 1
1035 . 1 1 80 80 LEU HG H 1 1.019 0.011 . 1 . 1411 . . 75 LEU HG . 17403 1
1036 . 1 1 80 80 LEU HD11 H 1 0.016 0.003 . 2 . 1414 . . 75 LEU HD11 . 17403 1
1037 . 1 1 80 80 LEU HD12 H 1 0.016 0.003 . 2 . 1414 . . 75 LEU HD12 . 17403 1
1038 . 1 1 80 80 LEU HD13 H 1 0.016 0.003 . 2 . 1414 . . 75 LEU HD13 . 17403 1
1039 . 1 1 80 80 LEU HD21 H 1 0.606 0.015 . 2 . 1413 . . 75 LEU HD21 . 17403 1
1040 . 1 1 80 80 LEU HD22 H 1 0.606 0.015 . 2 . 1413 . . 75 LEU HD22 . 17403 1
1041 . 1 1 80 80 LEU HD23 H 1 0.606 0.015 . 2 . 1413 . . 75 LEU HD23 . 17403 1
1042 . 1 1 80 80 LEU C C 13 173.929 . . 1 . 660 . . 75 LEU C . 17403 1
1043 . 1 1 80 80 LEU CA C 13 54.270 0.069 . 1 . 678 . . 75 LEU CA . 17403 1
1044 . 1 1 80 80 LEU CB C 13 45.037 0.037 . 1 . 689 . . 75 LEU CB . 17403 1
1045 . 1 1 80 80 LEU CG C 13 26.817 0.045 . 1 . 1412 . . 75 LEU CG . 17403 1
1046 . 1 1 80 80 LEU CD1 C 13 26.488 0.029 . 2 . 1416 . . 75 LEU CD1 . 17403 1
1047 . 1 1 80 80 LEU CD2 C 13 24.596 0.029 . 2 . 1415 . . 75 LEU CD2 . 17403 1
1048 . 1 1 80 80 LEU N N 15 122.752 0.03 . 1 . 277 . . 75 LEU N . 17403 1
1049 . 1 1 81 81 VAL H H 1 8.962 0.005 . 1 . 39 . . 76 VAL H . 17403 1
1050 . 1 1 81 81 VAL HA H 1 4.011 0.004 . 1 . 934 . . 76 VAL HA . 17403 1
1051 . 1 1 81 81 VAL HB H 1 0.747 0.013 . 1 . 935 . . 76 VAL HB . 17403 1
1052 . 1 1 81 81 VAL HG11 H 1 0.777 0.006 . 2 . 1231 . . 76 VAL HG11 . 17403 1
1053 . 1 1 81 81 VAL HG12 H 1 0.777 0.006 . 2 . 1231 . . 76 VAL HG12 . 17403 1
1054 . 1 1 81 81 VAL HG13 H 1 0.777 0.006 . 2 . 1231 . . 76 VAL HG13 . 17403 1
1055 . 1 1 81 81 VAL HG21 H 1 0.776 0.004 . 2 . 1232 . . 76 VAL HG21 . 17403 1
1056 . 1 1 81 81 VAL HG22 H 1 0.776 0.004 . 2 . 1232 . . 76 VAL HG22 . 17403 1
1057 . 1 1 81 81 VAL HG23 H 1 0.776 0.004 . 2 . 1232 . . 76 VAL HG23 . 17403 1
1058 . 1 1 81 81 VAL C C 13 173.042 . . 1 . 623 . . 76 VAL C . 17403 1
1059 . 1 1 81 81 VAL CA C 13 63.179 0.047 . 1 . 692 . . 76 VAL CA . 17403 1
1060 . 1 1 81 81 VAL CB C 13 30.122 0.047 . 1 . 540 . . 76 VAL CB . 17403 1
1061 . 1 1 81 81 VAL CG1 C 13 21.663 0.011 . 2 . 1351 . . 76 VAL CG1 . 17403 1
1062 . 1 1 81 81 VAL CG2 C 13 23.644 0.053 . 2 . 1352 . . 76 VAL CG2 . 17403 1
1063 . 1 1 81 81 VAL N N 15 128.717 0.036 . 1 . 40 . . 76 VAL N . 17403 1
1064 . 1 1 82 82 TRP H H 1 7.036 0.006 . 1 . 128 . . 77 TRP H . 17403 1
1065 . 1 1 82 82 TRP HA H 1 4.450 0.012 . 1 . 936 . . 77 TRP HA . 17403 1
1066 . 1 1 82 82 TRP HB2 H 1 2.295 0.004 . 2 . 937 . . 77 TRP HB2 . 17403 1
1067 . 1 1 82 82 TRP HB3 H 1 2.723 0.003 . 2 . 938 . . 77 TRP HB3 . 17403 1
1068 . 1 1 82 82 TRP HD1 H 1 6.709 0.003 . 1 . 1031 . . 77 TRP HD1 . 17403 1
1069 . 1 1 82 82 TRP HE1 H 1 9.989 0.001 . 1 . 88 . . 77 TRP HE1 . 17403 1
1070 . 1 1 82 82 TRP HE3 H 1 5.998 0.017 . 1 . 1046 . . 77 TRP HE3 . 17403 1
1071 . 1 1 82 82 TRP HZ2 H 1 7.357 0.006 . 1 . 1040 . . 77 TRP HZ2 . 17403 1
1072 . 1 1 82 82 TRP HZ3 H 1 5.294 0.003 . 1 . 1044 . . 77 TRP HZ3 . 17403 1
1073 . 1 1 82 82 TRP HH2 H 1 6.823 0.008 . 1 . 1042 . . 77 TRP HH2 . 17403 1
1074 . 1 1 82 82 TRP C C 13 176.806 . . 1 . 643 . . 77 TRP C . 17403 1
1075 . 1 1 82 82 TRP CA C 13 55.315 0.047 . 1 . 315 . . 77 TRP CA . 17403 1
1076 . 1 1 82 82 TRP CB C 13 30.109 0.042 . 1 . 314 . . 77 TRP CB . 17403 1
1077 . 1 1 82 82 TRP CD1 C 13 125.383 0.062 . 1 . 1030 . . 77 TRP CD1 . 17403 1
1078 . 1 1 82 82 TRP CE3 C 13 118.866 0.016 . 1 . 1047 . . 77 TRP CE3 . 17403 1
1079 . 1 1 82 82 TRP CZ2 C 13 113.443 0.023 . 1 . 1041 . . 77 TRP CZ2 . 17403 1
1080 . 1 1 82 82 TRP CZ3 C 13 120.452 0.057 . 1 . 1045 . . 77 TRP CZ3 . 17403 1
1081 . 1 1 82 82 TRP CH2 C 13 124.217 0.016 . 1 . 1043 . . 77 TRP CH2 . 17403 1
1082 . 1 1 82 82 TRP N N 15 128.424 0.036 . 1 . 129 . . 77 TRP N . 17403 1
1083 . 1 1 82 82 TRP NE1 N 15 127.927 0.02 . 1 . 89 . . 77 TRP NE1 . 17403 1
1084 . 1 1 83 83 ARG H H 1 10.817 0.003 . 1 . 23 . . 78 ARG H . 17403 1
1085 . 1 1 83 83 ARG HA H 1 4.816 0.004 . 1 . 782 . . 78 ARG HA . 17403 1
1086 . 1 1 83 83 ARG HB2 H 1 1.001 0.005 . 2 . 939 . . 78 ARG HB2 . 17403 1
1087 . 1 1 83 83 ARG HB3 H 1 1.844 0.004 . 2 . 1194 . . 78 ARG HB3 . 17403 1
1088 . 1 1 83 83 ARG HG2 H 1 1.484 0.012 . 2 . 1197 . . 78 ARG HG2 . 17403 1
1089 . 1 1 83 83 ARG HG3 H 1 1.482 0.003 . 2 . 1196 . . 78 ARG HG3 . 17403 1
1090 . 1 1 83 83 ARG HD2 H 1 3.478 0.004 . 2 . 1199 . . 78 ARG HD2 . 17403 1
1091 . 1 1 83 83 ARG HD3 H 1 3.559 0.002 . 2 . 1198 . . 78 ARG HD3 . 17403 1
1092 . 1 1 83 83 ARG HE H 1 7.664 0.013 . 1 . 1597 . . 78 ARG HE . 17403 1
1093 . 1 1 83 83 ARG C C 13 178.070 . . 1 . 579 . . 78 ARG C . 17403 1
1094 . 1 1 83 83 ARG CA C 13 54.744 0.043 . 1 . 478 . . 78 ARG CA . 17403 1
1095 . 1 1 83 83 ARG CB C 13 34.549 0.043 . 1 . 479 . . 78 ARG CB . 17403 1
1096 . 1 1 83 83 ARG CG C 13 28.836 0.031 . 1 . 1195 . . 78 ARG CG . 17403 1
1097 . 1 1 83 83 ARG CD C 13 42.208 0.033 . 1 . 1200 . . 78 ARG CD . 17403 1
1098 . 1 1 83 83 ARG N N 15 133.869 0.03 . 1 . 24 . . 78 ARG N . 17403 1
1099 . 1 1 83 83 ARG NE N 15 83.012 0.052 . 1 . 1598 . . 78 ARG NE . 17403 1
1100 . 1 1 84 84 GLU H H 1 9.195 0.003 . 1 . 267 . . 79 GLU H . 17403 1
1101 . 1 1 84 84 GLU HA H 1 4.093 0.014 . 1 . 719 . . 79 GLU HA . 17403 1
1102 . 1 1 84 84 GLU HB2 H 1 2.155 0.002 . 2 . 940 . . 79 GLU HB2 . 17403 1
1103 . 1 1 84 84 GLU HB3 H 1 2.077 0.005 . 2 . 537 . . 79 GLU HB3 . 17403 1
1104 . 1 1 84 84 GLU HG2 H 1 2.443 0.004 . 2 . 1262 . . 79 GLU HG2 . 17403 1
1105 . 1 1 84 84 GLU HG3 H 1 2.382 0.003 . 2 . 1261 . . 79 GLU HG3 . 17403 1
1106 . 1 1 84 84 GLU C C 13 176.983 . . 1 . 510 . . 79 GLU C . 17403 1
1107 . 1 1 84 84 GLU CA C 13 58.528 0.038 . 1 . 297 . . 79 GLU CA . 17403 1
1108 . 1 1 84 84 GLU CB C 13 29.489 0.044 . 1 . 296 . . 79 GLU CB . 17403 1
1109 . 1 1 84 84 GLU CG C 13 36.320 0.023 . 1 . 1263 . . 79 GLU CG . 17403 1
1110 . 1 1 84 84 GLU N N 15 121.899 0.026 . 1 . 268 . . 79 GLU N . 17403 1
1111 . 1 1 85 85 ASP H H 1 7.715 0.006 . 1 . 1 . . 80 ASP H . 17403 1
1112 . 1 1 85 85 ASP HA H 1 4.464 0.007 . 1 . 745 . . 80 ASP HA . 17403 1
1113 . 1 1 85 85 ASP HB2 H 1 2.628 0.003 . 2 . 941 . . 80 ASP HB2 . 17403 1
1114 . 1 1 85 85 ASP HB3 H 1 3.066 0.003 . 2 . 942 . . 80 ASP HB3 . 17403 1
1115 . 1 1 85 85 ASP C C 13 176.840 . . 1 . 632 . . 80 ASP C . 17403 1
1116 . 1 1 85 85 ASP CA C 13 52.767 0.044 . 1 . 415 . . 80 ASP CA . 17403 1
1117 . 1 1 85 85 ASP CB C 13 39.788 0.03 . 1 . 414 . . 80 ASP CB . 17403 1
1118 . 1 1 85 85 ASP N N 15 114.993 0.019 . 1 . 2 . . 80 ASP N . 17403 1
1119 . 1 1 86 86 GLY H H 1 7.562 0.002 . 1 . 191 . . 81 GLY H . 17403 1
1120 . 1 1 86 86 GLY HA2 H 1 3.019 0.006 . 2 . 943 . . 81 GLY HA2 . 17403 1
1121 . 1 1 86 86 GLY HA3 H 1 4.033 0.008 . 2 . 944 . . 81 GLY HA3 . 17403 1
1122 . 1 1 86 86 GLY C C 13 174.043 . . 1 . 575 . . 81 GLY C . 17403 1
1123 . 1 1 86 86 GLY CA C 13 44.350 0.04 . 1 . 370 . . 81 GLY CA . 17403 1
1124 . 1 1 86 86 GLY N N 15 106.512 0.019 . 1 . 192 . . 81 GLY N . 17403 1
1125 . 1 1 87 87 ARG H H 1 7.493 0.004 . 1 . 130 . . 82 ARG H . 17403 1
1126 . 1 1 87 87 ARG HA H 1 3.987 0.008 . 1 . 945 . . 82 ARG HA . 17403 1
1127 . 1 1 87 87 ARG HB2 H 1 1.547 0.004 . 2 . 1201 . . 82 ARG HB2 . 17403 1
1128 . 1 1 87 87 ARG HB3 H 1 1.551 0.006 . 2 . 946 . . 82 ARG HB3 . 17403 1
1129 . 1 1 87 87 ARG HG2 H 1 1.210 0.015 . 2 . 1583 . . 82 ARG HG2 . 17403 1
1130 . 1 1 87 87 ARG HG3 H 1 1.177 0.013 . 2 . 1585 . . 82 ARG HG3 . 17403 1
1131 . 1 1 87 87 ARG HD2 H 1 3.015 0.017 . 2 . 1588 . . 82 ARG HD2 . 17403 1
1132 . 1 1 87 87 ARG HD3 H 1 3.073 0.003 . 2 . 1590 . . 82 ARG HD3 . 17403 1
1133 . 1 1 87 87 ARG HE H 1 7.281 0.005 . 1 . 1599 . . 82 ARG HE . 17403 1
1134 . 1 1 87 87 ARG C C 13 174.811 . . 1 . 625 . . 82 ARG C . 17403 1
1135 . 1 1 87 87 ARG CA C 13 54.129 0.046 . 1 . 306 . . 82 ARG CA . 17403 1
1136 . 1 1 87 87 ARG CB C 13 26.737 0.031 . 1 . 307 . . 82 ARG CB . 17403 1
1137 . 1 1 87 87 ARG CG C 13 27.257 0.029 . 1 . 1584 . . 82 ARG CG . 17403 1
1138 . 1 1 87 87 ARG CD C 13 43.412 0.039 . 1 . 1589 . . 82 ARG CD . 17403 1
1139 . 1 1 87 87 ARG N N 15 123.190 0.016 . 1 . 131 . . 82 ARG N . 17403 1
1140 . 1 1 87 87 ARG NE N 15 85.623 0.045 . 1 . 1600 . . 82 ARG NE . 17403 1
1141 . 1 1 88 88 HIS H H 1 6.248 0.002 . 1 . 11 . . 83 HIS H . 17403 1
1142 . 1 1 88 88 HIS HA H 1 4.483 0.005 . 1 . 728 . . 83 HIS HA . 17403 1
1143 . 1 1 88 88 HIS HB2 H 1 2.089 0.01 . 2 . 947 . . 83 HIS HB2 . 17403 1
1144 . 1 1 88 88 HIS HB3 H 1 3.250 0.005 . 2 . 948 . . 83 HIS HB3 . 17403 1
1145 . 1 1 88 88 HIS HD2 H 1 5.948 0.012 . 1 . 1032 . . 83 HIS HD2 . 17403 1
1146 . 1 1 88 88 HIS HE1 H 1 5.889 0.002 . 1 . 1034 . . 83 HIS HE1 . 17403 1
1147 . 1 1 88 88 HIS HE2 H 1 10.139 0.0 . 1 . 1607 . . 83 HIS HE2 . 17403 1
1148 . 1 1 88 88 HIS C C 13 174.018 . . 1 . 659 . . 83 HIS C . 17403 1
1149 . 1 1 88 88 HIS CA C 13 54.633 0.053 . 1 . 455 . . 83 HIS CA . 17403 1
1150 . 1 1 88 88 HIS CB C 13 31.742 0.029 . 1 . 456 . . 83 HIS CB . 17403 1
1151 . 1 1 88 88 HIS CD2 C 13 116.099 0.077 . 1 . 1033 . . 83 HIS CD2 . 17403 1
1152 . 1 1 88 88 HIS CE1 C 13 140.548 0.013 . 1 . 1035 . . 83 HIS CE1 . 17403 1
1153 . 1 1 88 88 HIS N N 15 117.767 0.024 . 1 . 12 . . 83 HIS N . 17403 1
1154 . 1 1 88 88 HIS ND1 N 15 248.062 . . 1 . 1640 . . 83 HIS ND1 . 17403 1
1155 . 1 1 88 88 HIS NE2 N 15 161.262 0.041 . 1 . 1641 . . 83 HIS NE2 . 17403 1
1156 . 1 1 89 89 PHE H H 1 7.767 0.007 . 1 . 243 . . 84 PHE H . 17403 1
1157 . 1 1 89 89 PHE HA H 1 5.038 0.013 . 1 . 807 . . 84 PHE HA . 17403 1
1158 . 1 1 89 89 PHE HB2 H 1 3.129 0.012 . 2 . 949 . . 84 PHE HB2 . 17403 1
1159 . 1 1 89 89 PHE HB3 H 1 3.553 0.004 . 2 . 1104 . . 84 PHE HB3 . 17403 1
1160 . 1 1 89 89 PHE HD1 H 1 7.070 0.015 . 3 . 1608 . . 84 PHE HD1 . 17403 1
1161 . 1 1 89 89 PHE HD2 H 1 7.070 0.015 . 3 . 1608 . . 84 PHE HD2 . 17403 1
1162 . 1 1 89 89 PHE HE1 H 1 7.177 0.008 . 3 . 1612 . . 84 PHE HE1 . 17403 1
1163 . 1 1 89 89 PHE HE2 H 1 7.177 0.008 . 3 . 1612 . . 84 PHE HE2 . 17403 1
1164 . 1 1 89 89 PHE HZ H 1 6.763 0.016 . 1 . 1610 . . 84 PHE HZ . 17403 1
1165 . 1 1 89 89 PHE C C 13 172.738 . . 1 . 586 . . 84 PHE C . 17403 1
1166 . 1 1 89 89 PHE CA C 13 56.475 0.044 . 1 . 417 . . 84 PHE CA . 17403 1
1167 . 1 1 89 89 PHE CB C 13 40.939 0.038 . 1 . 416 . . 84 PHE CB . 17403 1
1168 . 1 1 89 89 PHE CD1 C 13 132.976 0.02 . 3 . 1609 . . 84 PHE CD1 . 17403 1
1169 . 1 1 89 89 PHE CD2 C 13 132.976 0.02 . 3 . 1609 . . 84 PHE CD2 . 17403 1
1170 . 1 1 89 89 PHE CE1 C 13 130.872 0.017 . 3 . 1613 . . 84 PHE CE1 . 17403 1
1171 . 1 1 89 89 PHE CE2 C 13 130.872 0.017 . 3 . 1613 . . 84 PHE CE2 . 17403 1
1172 . 1 1 89 89 PHE CZ C 13 128.781 0.027 . 1 . 1611 . . 84 PHE CZ . 17403 1
1173 . 1 1 89 89 PHE N N 15 110.140 0.023 . 1 . 244 . . 84 PHE N . 17403 1
1174 . 1 1 90 90 ILE H H 1 8.171 0.006 . 1 . 193 . . 85 ILE H . 17403 1
1175 . 1 1 90 90 ILE HA H 1 4.786 0.01 . 1 . 768 . . 85 ILE HA . 17403 1
1176 . 1 1 90 90 ILE HB H 1 2.058 0.009 . 1 . 950 . . 85 ILE HB . 17403 1
1177 . 1 1 90 90 ILE HG12 H 1 1.020 0.014 . 2 . 1304 . . 85 ILE HG12 . 17403 1
1178 . 1 1 90 90 ILE HG13 H 1 1.757 0.018 . 2 . 1305 . . 85 ILE HG13 . 17403 1
1179 . 1 1 90 90 ILE HG21 H 1 0.867 0.01 . 1 . 1303 . . 85 ILE HG21 . 17403 1
1180 . 1 1 90 90 ILE HG22 H 1 0.867 0.01 . 1 . 1303 . . 85 ILE HG22 . 17403 1
1181 . 1 1 90 90 ILE HG23 H 1 0.867 0.01 . 1 . 1303 . . 85 ILE HG23 . 17403 1
1182 . 1 1 90 90 ILE HD11 H 1 0.894 0.006 . 1 . 1308 . . 85 ILE HD11 . 17403 1
1183 . 1 1 90 90 ILE HD12 H 1 0.894 0.006 . 1 . 1308 . . 85 ILE HD12 . 17403 1
1184 . 1 1 90 90 ILE HD13 H 1 0.894 0.006 . 1 . 1308 . . 85 ILE HD13 . 17403 1
1185 . 1 1 90 90 ILE C C 13 175.243 . . 1 . 639 . . 85 ILE C . 17403 1
1186 . 1 1 90 90 ILE CA C 13 60.079 0.021 . 1 . 391 . . 85 ILE CA . 17403 1
1187 . 1 1 90 90 ILE CB C 13 40.845 0.051 . 1 . 390 . . 85 ILE CB . 17403 1
1188 . 1 1 90 90 ILE CG1 C 13 29.497 0.06 . 1 . 1307 . . 85 ILE CG1 . 17403 1
1189 . 1 1 90 90 ILE CG2 C 13 18.026 0.05 . 1 . 1306 . . 85 ILE CG2 . 17403 1
1190 . 1 1 90 90 ILE CD1 C 13 14.138 0.048 . 1 . 1309 . . 85 ILE CD1 . 17403 1
1191 . 1 1 90 90 ILE N N 15 119.330 0.038 . 1 . 194 . . 85 ILE N . 17403 1
1192 . 1 1 91 91 LEU H H 1 9.289 0.008 . 1 . 154 . . 86 LEU H . 17403 1
1193 . 1 1 91 91 LEU HA H 1 4.977 0.011 . 1 . 716 . . 86 LEU HA . 17403 1
1194 . 1 1 91 91 LEU HB2 H 1 1.296 0.003 . 2 . 951 . . 86 LEU HB2 . 17403 1
1195 . 1 1 91 91 LEU HB3 H 1 1.951 0.014 . 2 . 952 . . 86 LEU HB3 . 17403 1
1196 . 1 1 91 91 LEU HG H 1 1.546 0.006 . 1 . 1546 . . 86 LEU HG . 17403 1
1197 . 1 1 91 91 LEU HD11 H 1 1.082 0.01 . 2 . 1542 . . 86 LEU HD11 . 17403 1
1198 . 1 1 91 91 LEU HD12 H 1 1.082 0.01 . 2 . 1542 . . 86 LEU HD12 . 17403 1
1199 . 1 1 91 91 LEU HD13 H 1 1.082 0.01 . 2 . 1542 . . 86 LEU HD13 . 17403 1
1200 . 1 1 91 91 LEU HD21 H 1 0.770 0.004 . 2 . 1544 . . 86 LEU HD21 . 17403 1
1201 . 1 1 91 91 LEU HD22 H 1 0.770 0.004 . 2 . 1544 . . 86 LEU HD22 . 17403 1
1202 . 1 1 91 91 LEU HD23 H 1 0.770 0.004 . 2 . 1544 . . 86 LEU HD23 . 17403 1
1203 . 1 1 91 91 LEU C C 13 174.658 . . 1 . 652 . . 86 LEU C . 17403 1
1204 . 1 1 91 91 LEU CA C 13 54.542 0.051 . 1 . 326 . . 86 LEU CA . 17403 1
1205 . 1 1 91 91 LEU CB C 13 44.352 0.046 . 1 . 327 . . 86 LEU CB . 17403 1
1206 . 1 1 91 91 LEU CG C 13 27.217 0.042 . 1 . 1547 . . 86 LEU CG . 17403 1
1207 . 1 1 91 91 LEU CD1 C 13 23.554 0.028 . 2 . 1543 . . 86 LEU CD1 . 17403 1
1208 . 1 1 91 91 LEU CD2 C 13 26.546 0.055 . 2 . 1545 . . 86 LEU CD2 . 17403 1
1209 . 1 1 91 91 LEU N N 15 130.139 0.026 . 1 . 155 . . 86 LEU N . 17403 1
1210 . 1 1 92 92 THR H H 1 9.346 0.006 . 1 . 47 . . 87 THR H . 17403 1
1211 . 1 1 92 92 THR HA H 1 4.322 0.007 . 1 . 744 . . 87 THR HA . 17403 1
1212 . 1 1 92 92 THR HB H 1 4.046 0.004 . 1 . 953 . . 87 THR HB . 17403 1
1213 . 1 1 92 92 THR HG1 H 1 7.362 . . 1 . 1676 . . 87 THR HG1 . 17403 1
1214 . 1 1 92 92 THR HG21 H 1 1.095 0.007 . 1 . 1172 . . 87 THR HG21 . 17403 1
1215 . 1 1 92 92 THR HG22 H 1 1.095 0.007 . 1 . 1172 . . 87 THR HG22 . 17403 1
1216 . 1 1 92 92 THR HG23 H 1 1.095 0.007 . 1 . 1172 . . 87 THR HG23 . 17403 1
1217 . 1 1 92 92 THR C C 13 174.397 . . 1 . 633 . . 87 THR C . 17403 1
1218 . 1 1 92 92 THR CA C 13 63.737 0.037 . 1 . 406 . . 87 THR CA . 17403 1
1219 . 1 1 92 92 THR CB C 13 68.958 0.041 . 1 . 405 . . 87 THR CB . 17403 1
1220 . 1 1 92 92 THR CG2 C 13 22.840 0.046 . 1 . 1173 . . 87 THR CG2 . 17403 1
1221 . 1 1 92 92 THR N N 15 120.790 0.041 . 1 . 48 . . 87 THR N . 17403 1
1222 . 1 1 93 93 LYS H H 1 7.888 0.005 . 1 . 179 . . 88 LYS H . 17403 1
1223 . 1 1 93 93 LYS HA H 1 4.286 0.006 . 1 . 792 . . 88 LYS HA . 17403 1
1224 . 1 1 93 93 LYS HB2 H 1 1.833 0.004 . 2 . 955 . . 88 LYS HB2 . 17403 1
1225 . 1 1 93 93 LYS HB3 H 1 1.643 0.006 . 2 . 954 . . 88 LYS HB3 . 17403 1
1226 . 1 1 93 93 LYS HG2 H 1 1.172 0.013 . 2 . 1482 . . 88 LYS HG2 . 17403 1
1227 . 1 1 93 93 LYS HG3 H 1 1.380 0.012 . 2 . 1483 . . 88 LYS HG3 . 17403 1
1228 . 1 1 93 93 LYS HD2 H 1 1.593 0.014 . 2 . 1486 . . 88 LYS HD2 . 17403 1
1229 . 1 1 93 93 LYS HD3 H 1 1.586 0.007 . 2 . 1485 . . 88 LYS HD3 . 17403 1
1230 . 1 1 93 93 LYS HE2 H 1 2.906 0.006 . 2 . 1488 . . 88 LYS HE2 . 17403 1
1231 . 1 1 93 93 LYS HE3 H 1 2.908 0.014 . 2 . 1487 . . 88 LYS HE3 . 17403 1
1232 . 1 1 93 93 LYS C C 13 173.346 . . 1 . 561 . . 88 LYS C . 17403 1
1233 . 1 1 93 93 LYS CA C 13 57.286 0.049 . 1 . 320 . . 88 LYS CA . 17403 1
1234 . 1 1 93 93 LYS CB C 13 36.568 0.05 . 1 . 321 . . 88 LYS CB . 17403 1
1235 . 1 1 93 93 LYS CG C 13 25.276 0.044 . 1 . 1484 . . 88 LYS CG . 17403 1
1236 . 1 1 93 93 LYS CD C 13 29.321 0.038 . 1 . 1489 . . 88 LYS CD . 17403 1
1237 . 1 1 93 93 LYS CE C 13 42.036 0.057 . 1 . 1490 . . 88 LYS CE . 17403 1
1238 . 1 1 93 93 LYS N N 15 120.981 0.015 . 1 . 180 . . 88 LYS N . 17403 1
1239 . 1 1 94 94 VAL H H 1 8.473 0.005 . 1 . 33 . . 89 VAL H . 17403 1
1240 . 1 1 94 94 VAL HA H 1 3.932 0.007 . 1 . 779 . . 89 VAL HA . 17403 1
1241 . 1 1 94 94 VAL HB H 1 1.717 0.003 . 1 . 956 . . 89 VAL HB . 17403 1
1242 . 1 1 94 94 VAL HG11 H 1 0.667 0.017 . 2 . 1233 . . 89 VAL HG11 . 17403 1
1243 . 1 1 94 94 VAL HG12 H 1 0.667 0.017 . 2 . 1233 . . 89 VAL HG12 . 17403 1
1244 . 1 1 94 94 VAL HG13 H 1 0.667 0.017 . 2 . 1233 . . 89 VAL HG13 . 17403 1
1245 . 1 1 94 94 VAL HG21 H 1 0.414 0.008 . 2 . 1234 . . 89 VAL HG21 . 17403 1
1246 . 1 1 94 94 VAL HG22 H 1 0.414 0.008 . 2 . 1234 . . 89 VAL HG22 . 17403 1
1247 . 1 1 94 94 VAL HG23 H 1 0.414 0.008 . 2 . 1234 . . 89 VAL HG23 . 17403 1
1248 . 1 1 94 94 VAL C C 13 175.128 . . 1 . 634 . . 89 VAL C . 17403 1
1249 . 1 1 94 94 VAL CA C 13 61.442 0.029 . 1 . 450 . . 89 VAL CA . 17403 1
1250 . 1 1 94 94 VAL CB C 13 33.552 0.042 . 1 . 449 . . 89 VAL CB . 17403 1
1251 . 1 1 94 94 VAL CG1 C 13 21.178 0.024 . 2 . 1235 . . 89 VAL CG1 . 17403 1
1252 . 1 1 94 94 VAL CG2 C 13 20.541 0.021 . 2 . 1349 . . 89 VAL CG2 . 17403 1
1253 . 1 1 94 94 VAL N N 15 125.177 0.029 . 1 . 34 . . 89 VAL N . 17403 1
1254 . 1 1 95 95 SER H H 1 8.125 0.002 . 1 . 235 . . 90 SER H . 17403 1
1255 . 1 1 95 95 SER HA H 1 4.551 0.005 . 1 . 780 . . 90 SER HA . 17403 1
1256 . 1 1 95 95 SER HB2 H 1 3.655 0.008 . 2 . 957 . . 90 SER HB2 . 17403 1
1257 . 1 1 95 95 SER HB3 H 1 3.769 0.003 . 2 . 958 . . 90 SER HB3 . 17403 1
1258 . 1 1 95 95 SER C C 13 175.182 . . 1 . 601 . . 90 SER C . 17403 1
1259 . 1 1 95 95 SER CA C 13 56.512 0.049 . 1 . 441 . . 90 SER CA . 17403 1
1260 . 1 1 95 95 SER CB C 13 63.045 0.078 . 1 . 442 . . 90 SER CB . 17403 1
1261 . 1 1 95 95 SER N N 15 122.325 0.03 . 1 . 236 . . 90 SER N . 17403 1
1262 . 1 1 96 96 LYS H H 1 8.719 0.007 . 1 . 227 . . 91 LYS H . 17403 1
1263 . 1 1 96 96 LYS HA H 1 3.923 0.011 . 1 . 959 . . 91 LYS HA . 17403 1
1264 . 1 1 96 96 LYS HB2 H 1 1.732 0.006 . 2 . 1491 . . 91 LYS HB2 . 17403 1
1265 . 1 1 96 96 LYS HB3 H 1 1.733 0.003 . 2 . 960 . . 91 LYS HB3 . 17403 1
1266 . 1 1 96 96 LYS HG2 H 1 1.363 0.01 . 2 . 1493 . . 91 LYS HG2 . 17403 1
1267 . 1 1 96 96 LYS HG3 H 1 1.347 0.011 . 2 . 1492 . . 91 LYS HG3 . 17403 1
1268 . 1 1 96 96 LYS HD2 H 1 1.600 0.016 . 2 . 1660 . . 91 LYS HD2 . 17403 1
1269 . 1 1 96 96 LYS HD3 H 1 1.598 0.016 . 2 . 1661 . . 91 LYS HD3 . 17403 1
1270 . 1 1 96 96 LYS HE2 H 1 2.949 0.002 . 2 . 1658 . . 91 LYS HE2 . 17403 1
1271 . 1 1 96 96 LYS HE3 H 1 2.951 0.0 . 2 . 1657 . . 91 LYS HE3 . 17403 1
1272 . 1 1 96 96 LYS C C 13 178.338 . . 1 . 650 . . 91 LYS C . 17403 1
1273 . 1 1 96 96 LYS CA C 13 58.875 0.052 . 1 . 686 . . 91 LYS CA . 17403 1
1274 . 1 1 96 96 LYS CB C 13 32.264 0.041 . 1 . 687 . . 91 LYS CB . 17403 1
1275 . 1 1 96 96 LYS CG C 13 24.732 0.038 . 1 . 1494 . . 91 LYS CG . 17403 1
1276 . 1 1 96 96 LYS CD C 13 29.013 0.005 . 1 . 1659 . . 91 LYS CD . 17403 1
1277 . 1 1 96 96 LYS CE C 13 41.900 0.025 . 1 . 1656 . . 91 LYS CE . 17403 1
1278 . 1 1 96 96 LYS N N 15 126.743 0.027 . 1 . 228 . . 91 LYS N . 17403 1
1279 . 1 1 97 97 GLU H H 1 8.727 0.007 . 1 . 45 . . 92 GLU H . 17403 1
1280 . 1 1 97 97 GLU HA H 1 4.065 0.002 . 1 . 751 . . 92 GLU HA . 17403 1
1281 . 1 1 97 97 GLU HB2 H 1 1.915 0.005 . 2 . 961 . . 92 GLU HB2 . 17403 1
1282 . 1 1 97 97 GLU HB3 H 1 1.976 0.004 . 2 . 962 . . 92 GLU HB3 . 17403 1
1283 . 1 1 97 97 GLU HG2 H 1 2.255 0.013 . 2 . 1258 . . 92 GLU HG2 . 17403 1
1284 . 1 1 97 97 GLU HG3 H 1 2.236 0.004 . 2 . 1259 . . 92 GLU HG3 . 17403 1
1285 . 1 1 97 97 GLU C C 13 176.553 . . 1 . 635 . . 92 GLU C . 17403 1
1286 . 1 1 97 97 GLU CA C 13 58.342 0.036 . 1 . 378 . . 92 GLU CA . 17403 1
1287 . 1 1 97 97 GLU CB C 13 28.780 0.037 . 1 . 377 . . 92 GLU CB . 17403 1
1288 . 1 1 97 97 GLU CG C 13 36.456 0.033 . 1 . 1260 . . 92 GLU CG . 17403 1
1289 . 1 1 97 97 GLU N N 15 118.261 0.026 . 1 . 46 . . 92 GLU N . 17403 1
1290 . 1 1 98 98 ALA H H 1 7.588 0.006 . 1 . 1648 . . 93 ALA H . 17403 1
1291 . 1 1 98 98 ALA HA H 1 4.205 0.005 . 1 . 814 . . 93 ALA HA . 17403 1
1292 . 1 1 98 98 ALA HB1 H 1 1.256 0.002 . 1 . 963 . . 93 ALA HB1 . 17403 1
1293 . 1 1 98 98 ALA HB2 H 1 1.256 0.002 . 1 . 963 . . 93 ALA HB2 . 17403 1
1294 . 1 1 98 98 ALA HB3 H 1 1.256 0.002 . 1 . 963 . . 93 ALA HB3 . 17403 1
1295 . 1 1 98 98 ALA C C 13 175.828 . . 1 . 592 . . 93 ALA C . 17403 1
1296 . 1 1 98 98 ALA CA C 13 51.451 0.047 . 1 . 452 . . 93 ALA CA . 17403 1
1297 . 1 1 98 98 ALA CB C 13 18.912 0.032 . 1 . 451 . . 93 ALA CB . 17403 1
1298 . 1 1 98 98 ALA N N 15 119.239 0.029 . 1 . 137 . . 93 ALA N . 17403 1
1299 . 1 1 99 99 ASN H H 1 7.761 0.002 . 1 . 237 . . 94 ASN H . 17403 1
1300 . 1 1 99 99 ASN HA H 1 4.310 0.015 . 1 . 966 . . 94 ASN HA . 17403 1
1301 . 1 1 99 99 ASN HB2 H 1 3.013 0.006 . 2 . 965 . . 94 ASN HB2 . 17403 1
1302 . 1 1 99 99 ASN HB3 H 1 2.876 0.003 . 2 . 964 . . 94 ASN HB3 . 17403 1
1303 . 1 1 99 99 ASN HD21 H 1 6.861 0.002 . 1 . 258 . . 94 ASN HD21 . 17403 1
1304 . 1 1 99 99 ASN HD22 H 1 7.484 0.002 . 1 . 92 . . 94 ASN HD22 . 17403 1
1305 . 1 1 99 99 ASN C C 13 173.502 . . 1 . 544 . . 94 ASN C . 17403 1
1306 . 1 1 99 99 ASN CA C 13 53.688 0.043 . 1 . 535 . . 94 ASN CA . 17403 1
1307 . 1 1 99 99 ASN CB C 13 37.718 0.042 . 1 . 428 . . 94 ASN CB . 17403 1
1308 . 1 1 99 99 ASN N N 15 115.596 0.038 . 1 . 238 . . 94 ASN N . 17403 1
1309 . 1 1 99 99 ASN ND2 N 15 112.209 0.025 . 1 . 93 . . 94 ASN ND2 . 17403 1
1310 . 1 1 100 100 ARG H H 1 7.155 0.003 . 1 . 210 . . 95 ARG H . 17403 1
1311 . 1 1 100 100 ARG HA H 1 4.922 0.016 . 1 . 762 . . 95 ARG HA . 17403 1
1312 . 1 1 100 100 ARG HB2 H 1 1.344 0.011 . 2 . 967 . . 95 ARG HB2 . 17403 1
1313 . 1 1 100 100 ARG HB3 H 1 1.525 0.021 . 2 . 968 . . 95 ARG HB3 . 17403 1
1314 . 1 1 100 100 ARG HG2 H 1 1.430 0.014 . 2 . 1203 . . 95 ARG HG2 . 17403 1
1315 . 1 1 100 100 ARG HG3 H 1 1.557 0.005 . 2 . 1202 . . 95 ARG HG3 . 17403 1
1316 . 1 1 100 100 ARG HD2 H 1 2.993 0.004 . 2 . 1205 . . 95 ARG HD2 . 17403 1
1317 . 1 1 100 100 ARG HD3 H 1 2.995 0.005 . 2 . 1206 . . 95 ARG HD3 . 17403 1
1318 . 1 1 100 100 ARG HE H 1 7.598 0.003 . 1 . 1594 . . 95 ARG HE . 17403 1
1319 . 1 1 100 100 ARG C C 13 174.128 . . 1 . 602 . . 95 ARG C . 17403 1
1320 . 1 1 100 100 ARG CA C 13 54.830 0.052 . 1 . 348 . . 95 ARG CA . 17403 1
1321 . 1 1 100 100 ARG CB C 13 34.787 0.049 . 1 . 538 . . 95 ARG CB . 17403 1
1322 . 1 1 100 100 ARG CG C 13 27.954 0.04 . 1 . 1204 . . 95 ARG CG . 17403 1
1323 . 1 1 100 100 ARG CD C 13 43.680 0.032 . 1 . 1207 . . 95 ARG CD . 17403 1
1324 . 1 1 100 100 ARG N N 15 114.976 0.048 . 1 . 211 . . 95 ARG N . 17403 1
1325 . 1 1 100 100 ARG NE N 15 85.515 0.063 . 1 . 1595 . . 95 ARG NE . 17403 1
1326 . 1 1 101 101 TYR H H 1 8.892 0.006 . 1 . 94 . . 96 TYR H . 17403 1
1327 . 1 1 101 101 TYR HA H 1 4.413 0.003 . 1 . 754 . . 96 TYR HA . 17403 1
1328 . 1 1 101 101 TYR HB2 H 1 2.181 0.015 . 2 . 969 . . 96 TYR HB2 . 17403 1
1329 . 1 1 101 101 TYR HB3 H 1 2.523 0.004 . 2 . 970 . . 96 TYR HB3 . 17403 1
1330 . 1 1 101 101 TYR HD1 H 1 6.292 0.003 . 3 . 1054 . . 96 TYR HD1 . 17403 1
1331 . 1 1 101 101 TYR HD2 H 1 6.292 0.003 . 3 . 1054 . . 96 TYR HD2 . 17403 1
1332 . 1 1 101 101 TYR HE1 H 1 6.163 0.002 . 3 . 1072 . . 96 TYR HE1 . 17403 1
1333 . 1 1 101 101 TYR HE2 H 1 6.163 0.002 . 3 . 1072 . . 96 TYR HE2 . 17403 1
1334 . 1 1 101 101 TYR C C 13 173.566 . . 1 . 621 . . 96 TYR C . 17403 1
1335 . 1 1 101 101 TYR CA C 13 57.403 0.051 . 1 . 385 . . 96 TYR CA . 17403 1
1336 . 1 1 101 101 TYR CB C 13 40.666 0.048 . 1 . 386 . . 96 TYR CB . 17403 1
1337 . 1 1 101 101 TYR CD1 C 13 132.090 0.032 . 3 . 1055 . . 96 TYR CD1 . 17403 1
1338 . 1 1 101 101 TYR CD2 C 13 132.090 0.032 . 3 . 1055 . . 96 TYR CD2 . 17403 1
1339 . 1 1 101 101 TYR CE1 C 13 116.991 0.022 . 3 . 1073 . . 96 TYR CE1 . 17403 1
1340 . 1 1 101 101 TYR CE2 C 13 116.991 0.022 . 3 . 1073 . . 96 TYR CE2 . 17403 1
1341 . 1 1 101 101 TYR N N 15 121.135 0.029 . 1 . 95 . . 96 TYR N . 17403 1
1342 . 1 1 102 102 LEU H H 1 9.051 0.005 . 1 . 147 . . 97 LEU H . 17403 1
1343 . 1 1 102 102 LEU HA H 1 5.009 0.002 . 1 . 742 . . 97 LEU HA . 17403 1
1344 . 1 1 102 102 LEU HB2 H 1 1.434 0.004 . 2 . 971 . . 97 LEU HB2 . 17403 1
1345 . 1 1 102 102 LEU HB3 H 1 1.890 0.004 . 2 . 972 . . 97 LEU HB3 . 17403 1
1346 . 1 1 102 102 LEU HG H 1 1.555 0.003 . 1 . 1423 . . 97 LEU HG . 17403 1
1347 . 1 1 102 102 LEU HD11 H 1 0.837 0.012 . 2 . 1426 . . 97 LEU HD11 . 17403 1
1348 . 1 1 102 102 LEU HD12 H 1 0.837 0.012 . 2 . 1426 . . 97 LEU HD12 . 17403 1
1349 . 1 1 102 102 LEU HD13 H 1 0.837 0.012 . 2 . 1426 . . 97 LEU HD13 . 17403 1
1350 . 1 1 102 102 LEU HD21 H 1 0.840 0.01 . 2 . 1425 . . 97 LEU HD21 . 17403 1
1351 . 1 1 102 102 LEU HD22 H 1 0.840 0.01 . 2 . 1425 . . 97 LEU HD22 . 17403 1
1352 . 1 1 102 102 LEU HD23 H 1 0.840 0.01 . 2 . 1425 . . 97 LEU HD23 . 17403 1
1353 . 1 1 102 102 LEU C C 13 175.806 . . 1 . 622 . . 97 LEU C . 17403 1
1354 . 1 1 102 102 LEU CA C 13 55.082 0.042 . 1 . 403 . . 97 LEU CA . 17403 1
1355 . 1 1 102 102 LEU CB C 13 42.553 0.047 . 1 . 404 . . 97 LEU CB . 17403 1
1356 . 1 1 102 102 LEU CG C 13 28.484 0.029 . 1 . 1424 . . 97 LEU CG . 17403 1
1357 . 1 1 102 102 LEU CD1 C 13 25.996 0.031 . 2 . 1428 . . 97 LEU CD1 . 17403 1
1358 . 1 1 102 102 LEU CD2 C 13 23.757 0.05 . 2 . 1427 . . 97 LEU CD2 . 17403 1
1359 . 1 1 102 102 LEU N N 15 126.938 0.034 . 1 . 148 . . 97 LEU N . 17403 1
1360 . 1 1 103 103 ILE H H 1 9.034 0.004 . 1 . 177 . . 98 ILE H . 17403 1
1361 . 1 1 103 103 ILE HA H 1 5.804 0.004 . 1 . 786 . . 98 ILE HA . 17403 1
1362 . 1 1 103 103 ILE HB H 1 2.219 0.014 . 1 . 973 . . 98 ILE HB . 17403 1
1363 . 1 1 103 103 ILE HG12 H 1 1.015 0.02 . 2 . 1312 . . 98 ILE HG12 . 17403 1
1364 . 1 1 103 103 ILE HG13 H 1 1.217 0.004 . 2 . 1311 . . 98 ILE HG13 . 17403 1
1365 . 1 1 103 103 ILE HG21 H 1 1.062 0.013 . 1 . 1310 . . 98 ILE HG21 . 17403 1
1366 . 1 1 103 103 ILE HG22 H 1 1.062 0.013 . 1 . 1310 . . 98 ILE HG22 . 17403 1
1367 . 1 1 103 103 ILE HG23 H 1 1.062 0.013 . 1 . 1310 . . 98 ILE HG23 . 17403 1
1368 . 1 1 103 103 ILE HD11 H 1 0.454 0.005 . 1 . 1315 . . 98 ILE HD11 . 17403 1
1369 . 1 1 103 103 ILE HD12 H 1 0.454 0.005 . 1 . 1315 . . 98 ILE HD12 . 17403 1
1370 . 1 1 103 103 ILE HD13 H 1 0.454 0.005 . 1 . 1315 . . 98 ILE HD13 . 17403 1
1371 . 1 1 103 103 ILE C C 13 176.382 . . 1 . 562 . . 98 ILE C . 17403 1
1372 . 1 1 103 103 ILE CA C 13 58.288 0.051 . 1 . 364 . . 98 ILE CA . 17403 1
1373 . 1 1 103 103 ILE CB C 13 42.520 0.042 . 1 . 363 . . 98 ILE CB . 17403 1
1374 . 1 1 103 103 ILE CG1 C 13 26.258 0.046 . 1 . 1314 . . 98 ILE CG1 . 17403 1
1375 . 1 1 103 103 ILE CG2 C 13 18.321 0.025 . 1 . 1313 . . 98 ILE CG2 . 17403 1
1376 . 1 1 103 103 ILE CD1 C 13 14.301 0.026 . 1 . 1316 . . 98 ILE CD1 . 17403 1
1377 . 1 1 103 103 ILE N N 15 118.361 0.022 . 1 . 178 . . 98 ILE N . 17403 1
1378 . 1 1 104 104 PHE H H 1 9.744 0.006 . 1 . 118 . . 99 PHE H . 17403 1
1379 . 1 1 104 104 PHE HA H 1 4.540 0.015 . 1 . 804 . . 99 PHE HA . 17403 1
1380 . 1 1 104 104 PHE HB2 H 1 2.845 0.003 . 2 . 541 . . 99 PHE HB2 . 17403 1
1381 . 1 1 104 104 PHE HB3 H 1 2.999 0.014 . 2 . 974 . . 99 PHE HB3 . 17403 1
1382 . 1 1 104 104 PHE HD1 H 1 6.913 0.014 . 3 . 1076 . . 99 PHE HD1 . 17403 1
1383 . 1 1 104 104 PHE HD2 H 1 6.913 0.014 . 3 . 1076 . . 99 PHE HD2 . 17403 1
1384 . 1 1 104 104 PHE HE1 H 1 7.247 0.009 . 3 . 1084 . . 99 PHE HE1 . 17403 1
1385 . 1 1 104 104 PHE HE2 H 1 7.247 0.009 . 3 . 1084 . . 99 PHE HE2 . 17403 1
1386 . 1 1 104 104 PHE HZ H 1 7.117 0.013 . 1 . 1080 . . 99 PHE HZ . 17403 1
1387 . 1 1 104 104 PHE C C 13 173.852 . . 1 . 617 . . 99 PHE C . 17403 1
1388 . 1 1 104 104 PHE CA C 13 59.707 0.049 . 1 . 313 . . 99 PHE CA . 17403 1
1389 . 1 1 104 104 PHE CB C 13 40.962 0.095 . 1 . 312 . . 99 PHE CB . 17403 1
1390 . 1 1 104 104 PHE CD1 C 13 130.858 0.034 . 3 . 1077 . . 99 PHE CD1 . 17403 1
1391 . 1 1 104 104 PHE CD2 C 13 130.858 0.034 . 3 . 1077 . . 99 PHE CD2 . 17403 1
1392 . 1 1 104 104 PHE CE1 C 13 131.210 0.06 . 3 . 1085 . . 99 PHE CE1 . 17403 1
1393 . 1 1 104 104 PHE CE2 C 13 131.210 0.06 . 3 . 1085 . . 99 PHE CE2 . 17403 1
1394 . 1 1 104 104 PHE CZ C 13 129.736 0.008 . 1 . 1081 . . 99 PHE CZ . 17403 1
1395 . 1 1 104 104 PHE N N 15 123.945 0.038 . 1 . 119 . . 99 PHE N . 17403 1
1396 . 1 1 105 105 ASP H H 1 7.637 0.004 . 1 . 21 . . 100 ASP H . 17403 1
1397 . 1 1 105 105 ASP HA H 1 4.499 0.011 . 1 . 800 . . 100 ASP HA . 17403 1
1398 . 1 1 105 105 ASP HB2 H 1 2.040 0.009 . 2 . 1176 . . 100 ASP HB2 . 17403 1
1399 . 1 1 105 105 ASP HB3 H 1 2.942 0.018 . 2 . 1177 . . 100 ASP HB3 . 17403 1
1400 . 1 1 105 105 ASP C C 13 176.165 . . 1 . 566 . . 100 ASP C . 17403 1
1401 . 1 1 105 105 ASP CA C 13 53.898 0.046 . 1 . 712 . . 100 ASP CA . 17403 1
1402 . 1 1 105 105 ASP CB C 13 42.849 0.05 . 1 . 711 . . 100 ASP CB . 17403 1
1403 . 1 1 105 105 ASP N N 15 128.631 0.033 . 1 . 22 . . 100 ASP N . 17403 1
1404 . 1 1 106 106 LEU H H 1 8.751 0.014 . 1 . 294 . . 101 LEU H . 17403 1
1405 . 1 1 106 106 LEU HA H 1 4.199 0.01 . 1 . 975 . . 101 LEU HA . 17403 1
1406 . 1 1 106 106 LEU HB2 H 1 1.913 0.008 . 2 . 1410 . . 101 LEU HB2 . 17403 1
1407 . 1 1 106 106 LEU HB3 H 1 1.823 0.016 . 2 . 1409 . . 101 LEU HB3 . 17403 1
1408 . 1 1 106 106 LEU HG H 1 2.034 0.017 . 1 . 1548 . . 101 LEU HG . 17403 1
1409 . 1 1 106 106 LEU HD11 H 1 1.086 0.003 . 2 . 1552 . . 101 LEU HD11 . 17403 1
1410 . 1 1 106 106 LEU HD12 H 1 1.086 0.003 . 2 . 1552 . . 101 LEU HD12 . 17403 1
1411 . 1 1 106 106 LEU HD13 H 1 1.086 0.003 . 2 . 1552 . . 101 LEU HD13 . 17403 1
1412 . 1 1 106 106 LEU HD21 H 1 0.901 0.008 . 2 . 1550 . . 101 LEU HD21 . 17403 1
1413 . 1 1 106 106 LEU HD22 H 1 0.901 0.008 . 2 . 1550 . . 101 LEU HD22 . 17403 1
1414 . 1 1 106 106 LEU HD23 H 1 0.901 0.008 . 2 . 1550 . . 101 LEU HD23 . 17403 1
1415 . 1 1 106 106 LEU C C 13 176.185 0.002 . 1 . 1558 . . 101 LEU C . 17403 1
1416 . 1 1 106 106 LEU CA C 13 56.793 0.042 . 1 . 302 . . 101 LEU CA . 17403 1
1417 . 1 1 106 106 LEU CB C 13 41.714 0.019 . 1 . 303 . . 101 LEU CB . 17403 1
1418 . 1 1 106 106 LEU CG C 13 27.917 0.035 . 1 . 1551 . . 101 LEU CG . 17403 1
1419 . 1 1 106 106 LEU CD1 C 13 27.129 0.041 . 2 . 1553 . . 101 LEU CD1 . 17403 1
1420 . 1 1 106 106 LEU CD2 C 13 23.708 0.05 . 2 . 1549 . . 101 LEU CD2 . 17403 1
1421 . 1 1 106 106 LEU N N 15 126.791 0.024 . 1 . 295 . . 101 LEU N . 17403 1
1422 . 1 1 107 107 GLU H H 1 8.148 0.008 . 1 . 7 . . 102 GLU H . 17403 1
1423 . 1 1 107 107 GLU HA H 1 4.063 0.01 . 1 . 978 . . 102 GLU HA . 17403 1
1424 . 1 1 107 107 GLU HB2 H 1 2.073 0.01 . 2 . 977 . . 102 GLU HB2 . 17403 1
1425 . 1 1 107 107 GLU HB3 H 1 1.918 0.006 . 2 . 976 . . 102 GLU HB3 . 17403 1
1426 . 1 1 107 107 GLU HG2 H 1 1.921 0.006 . 2 . 1256 . . 102 GLU HG2 . 17403 1
1427 . 1 1 107 107 GLU HG3 H 1 2.114 0.011 . 2 . 1257 . . 102 GLU HG3 . 17403 1
1428 . 1 1 107 107 GLU C C 13 178.661 0.004 . 1 . 646 . . 102 GLU C . 17403 1
1429 . 1 1 107 107 GLU CA C 13 58.373 0.058 . 1 . 301 . . 102 GLU CA . 17403 1
1430 . 1 1 107 107 GLU CB C 13 30.067 0.037 . 1 . 300 . . 102 GLU CB . 17403 1
1431 . 1 1 107 107 GLU CG C 13 36.180 0.033 . 1 . 1255 . . 102 GLU CG . 17403 1
1432 . 1 1 107 107 GLU N N 15 119.101 0.026 . 1 . 8 . . 102 GLU N . 17403 1
1433 . 1 1 108 108 GLN H H 1 8.371 0.005 . 1 . 5 . . 103 GLN H . 17403 1
1434 . 1 1 108 108 GLN HA H 1 4.026 0.005 . 1 . 776 . . 103 GLN HA . 17403 1
1435 . 1 1 108 108 GLN HB2 H 1 1.432 0.004 . 2 . 979 . . 103 GLN HB2 . 17403 1
1436 . 1 1 108 108 GLN HB3 H 1 2.167 0.01 . 2 . 980 . . 103 GLN HB3 . 17403 1
1437 . 1 1 108 108 GLN HG2 H 1 2.350 0.004 . 2 . 1152 . . 103 GLN HG2 . 17403 1
1438 . 1 1 108 108 GLN HG3 H 1 2.243 0.003 . 2 . 1153 . . 103 GLN HG3 . 17403 1
1439 . 1 1 108 108 GLN HE21 H 1 7.404 0.002 . 1 . 226 . . 103 GLN HE21 . 17403 1
1440 . 1 1 108 108 GLN HE22 H 1 6.627 0.002 . 1 . 208 . . 103 GLN HE22 . 17403 1
1441 . 1 1 108 108 GLN C C 13 175.655 . . 1 . 582 . . 103 GLN C . 17403 1
1442 . 1 1 108 108 GLN CA C 13 55.969 0.044 . 1 . 360 . . 103 GLN CA . 17403 1
1443 . 1 1 108 108 GLN CB C 13 29.089 0.036 . 1 . 359 . . 103 GLN CB . 17403 1
1444 . 1 1 108 108 GLN CG C 13 33.864 0.028 . 1 . 1154 . . 103 GLN CG . 17403 1
1445 . 1 1 108 108 GLN N N 15 116.441 0.024 . 1 . 6 . . 103 GLN N . 17403 1
1446 . 1 1 108 108 GLN NE2 N 15 111.089 0.026 . 1 . 209 . . 103 GLN NE2 . 17403 1
1447 . 1 1 109 109 ARG H H 1 7.979 0.005 . 1 . 112 . . 104 ARG H . 17403 1
1448 . 1 1 109 109 ARG HA H 1 3.766 0.007 . 1 . 787 . . 104 ARG HA . 17403 1
1449 . 1 1 109 109 ARG HB2 H 1 2.056 0.01 . 2 . 981 . . 104 ARG HB2 . 17403 1
1450 . 1 1 109 109 ARG HB3 H 1 2.187 0.013 . 2 . 982 . . 104 ARG HB3 . 17403 1
1451 . 1 1 109 109 ARG HG2 H 1 1.707 0.009 . 2 . 1209 . . 104 ARG HG2 . 17403 1
1452 . 1 1 109 109 ARG HG3 H 1 1.441 0.01 . 2 . 1208 . . 104 ARG HG3 . 17403 1
1453 . 1 1 109 109 ARG HD2 H 1 3.145 0.013 . 2 . 1211 . . 104 ARG HD2 . 17403 1
1454 . 1 1 109 109 ARG HD3 H 1 3.191 0.013 . 2 . 1212 . . 104 ARG HD3 . 17403 1
1455 . 1 1 109 109 ARG HE H 1 7.157 0.001 . 1 . 1601 . . 104 ARG HE . 17403 1
1456 . 1 1 109 109 ARG C C 13 174.842 . . 1 . 543 . . 104 ARG C . 17403 1
1457 . 1 1 109 109 ARG CA C 13 57.182 0.051 . 1 . 394 . . 104 ARG CA . 17403 1
1458 . 1 1 109 109 ARG CB C 13 27.031 0.037 . 1 . 395 . . 104 ARG CB . 17403 1
1459 . 1 1 109 109 ARG CG C 13 27.945 0.041 . 1 . 1210 . . 104 ARG CG . 17403 1
1460 . 1 1 109 109 ARG CD C 13 44.069 0.035 . 1 . 1213 . . 104 ARG CD . 17403 1
1461 . 1 1 109 109 ARG N N 15 115.526 0.028 . 1 . 113 . . 104 ARG N . 17403 1
1462 . 1 1 109 109 ARG NE N 15 85.368 0.057 . 1 . 1602 . . 104 ARG NE . 17403 1
1463 . 1 1 110 110 ASN H H 1 7.110 0.007 . 1 . 158 . . 105 ASN H . 17403 1
1464 . 1 1 110 110 ASN HA H 1 5.024 0.003 . 1 . 761 . . 105 ASN HA . 17403 1
1465 . 1 1 110 110 ASN HB2 H 1 2.669 0.004 . 2 . 1134 . . 105 ASN HB2 . 17403 1
1466 . 1 1 110 110 ASN HB3 H 1 2.398 0.005 . 2 . 1133 . . 105 ASN HB3 . 17403 1
1467 . 1 1 110 110 ASN HD21 H 1 7.113 0.006 . 1 . 81 . . 105 ASN HD21 . 17403 1
1468 . 1 1 110 110 ASN HD22 H 1 6.875 0.018 . 1 . 35 . . 105 ASN HD22 . 17403 1
1469 . 1 1 110 110 ASN CA C 13 51.078 0.044 . 1 . 698 . . 105 ASN CA . 17403 1
1470 . 1 1 110 110 ASN CB C 13 42.866 0.025 . 1 . 697 . . 105 ASN CB . 17403 1
1471 . 1 1 110 110 ASN N N 15 114.676 0.031 . 1 . 159 . . 105 ASN N . 17403 1
1472 . 1 1 110 110 ASN ND2 N 15 111.987 0.039 . 1 . 36 . . 105 ASN ND2 . 17403 1
1473 . 1 1 111 111 PRO HA H 1 5.414 0.003 . 1 . 983 . . 106 PRO HA . 17403 1
1474 . 1 1 111 111 PRO HB2 H 1 2.410 0.004 . 2 . 985 . . 106 PRO HB2 . 17403 1
1475 . 1 1 111 111 PRO HB3 H 1 1.970 0.007 . 2 . 984 . . 106 PRO HB3 . 17403 1
1476 . 1 1 111 111 PRO HG2 H 1 2.144 0.012 . 2 . 1121 . . 106 PRO HG2 . 17403 1
1477 . 1 1 111 111 PRO HG3 H 1 2.173 0.013 . 2 . 1122 . . 106 PRO HG3 . 17403 1
1478 . 1 1 111 111 PRO HD2 H 1 3.914 0.004 . 2 . 1125 . . 106 PRO HD2 . 17403 1
1479 . 1 1 111 111 PRO HD3 H 1 3.818 0.008 . 2 . 1124 . . 106 PRO HD3 . 17403 1
1480 . 1 1 111 111 PRO C C 13 176.290 . . 1 . 609 . . 106 PRO C . 17403 1
1481 . 1 1 111 111 PRO CA C 13 61.965 0.049 . 1 . 425 . . 106 PRO CA . 17403 1
1482 . 1 1 111 111 PRO CB C 13 32.713 0.049 . 1 . 424 . . 106 PRO CB . 17403 1
1483 . 1 1 111 111 PRO CG C 13 27.554 0.028 . 1 . 1123 . . 106 PRO CG . 17403 1
1484 . 1 1 111 111 PRO CD C 13 51.309 0.053 . 1 . 1126 . . 106 PRO CD . 17403 1
1485 . 1 1 112 112 ARG H H 1 8.664 0.005 . 1 . 201 . . 107 ARG H . 17403 1
1486 . 1 1 112 112 ARG HA H 1 4.549 0.003 . 1 . 729 . . 107 ARG HA . 17403 1
1487 . 1 1 112 112 ARG HB2 H 1 1.722 0.002 . 2 . 987 . . 107 ARG HB2 . 17403 1
1488 . 1 1 112 112 ARG HB3 H 1 1.471 0.02 . 2 . 986 . . 107 ARG HB3 . 17403 1
1489 . 1 1 112 112 ARG HG2 H 1 1.453 0.011 . 2 . 1215 . . 107 ARG HG2 . 17403 1
1490 . 1 1 112 112 ARG HG3 H 1 1.416 0.012 . 2 . 1216 . . 107 ARG HG3 . 17403 1
1491 . 1 1 112 112 ARG HD2 H 1 3.167 0.004 . 2 . 1217 . . 107 ARG HD2 . 17403 1
1492 . 1 1 112 112 ARG HD3 H 1 2.977 0.008 . 2 . 1218 . . 107 ARG HD3 . 17403 1
1493 . 1 1 112 112 ARG HE H 1 7.732 0.006 . 1 . 1593 . . 107 ARG HE . 17403 1
1494 . 1 1 112 112 ARG C C 13 173.364 . . 1 . 569 . . 107 ARG C . 17403 1
1495 . 1 1 112 112 ARG CA C 13 55.917 0.048 . 1 . 499 . . 107 ARG CA . 17403 1
1496 . 1 1 112 112 ARG CB C 13 34.971 0.044 . 1 . 500 . . 107 ARG CB . 17403 1
1497 . 1 1 112 112 ARG CG C 13 27.256 0.04 . 1 . 1214 . . 107 ARG CG . 17403 1
1498 . 1 1 112 112 ARG CD C 13 44.353 0.045 . 1 . 1219 . . 107 ARG CD . 17403 1
1499 . 1 1 112 112 ARG N N 15 119.268 0.025 . 1 . 202 . . 107 ARG N . 17403 1
1500 . 1 1 112 112 ARG NE N 15 84.274 0.047 . 1 . 1596 . . 107 ARG NE . 17403 1
1501 . 1 1 113 113 VAL H H 1 8.532 0.005 . 1 . 288 . . 108 VAL H . 17403 1
1502 . 1 1 113 113 VAL HA H 1 4.590 0.003 . 1 . 772 . . 108 VAL HA . 17403 1
1503 . 1 1 113 113 VAL HB H 1 1.950 0.003 . 1 . 988 . . 108 VAL HB . 17403 1
1504 . 1 1 113 113 VAL HG11 H 1 0.915 0.003 . 2 . 1237 . . 108 VAL HG11 . 17403 1
1505 . 1 1 113 113 VAL HG12 H 1 0.915 0.003 . 2 . 1237 . . 108 VAL HG12 . 17403 1
1506 . 1 1 113 113 VAL HG13 H 1 0.915 0.003 . 2 . 1237 . . 108 VAL HG13 . 17403 1
1507 . 1 1 113 113 VAL HG21 H 1 0.809 0.011 . 2 . 1236 . . 108 VAL HG21 . 17403 1
1508 . 1 1 113 113 VAL HG22 H 1 0.809 0.011 . 2 . 1236 . . 108 VAL HG22 . 17403 1
1509 . 1 1 113 113 VAL HG23 H 1 0.809 0.011 . 2 . 1236 . . 108 VAL HG23 . 17403 1
1510 . 1 1 113 113 VAL C C 13 175.466 . . 1 . 564 . . 108 VAL C . 17403 1
1511 . 1 1 113 113 VAL CA C 13 61.730 0.049 . 1 . 421 . . 108 VAL CA . 17403 1
1512 . 1 1 113 113 VAL CB C 13 32.746 0.042 . 1 . 420 . . 108 VAL CB . 17403 1
1513 . 1 1 113 113 VAL CG1 C 13 21.816 0.036 . 2 . 1654 . . 108 VAL CG1 . 17403 1
1514 . 1 1 113 113 VAL CG2 C 13 21.624 0.033 . 2 . 1238 . . 108 VAL CG2 . 17403 1
1515 . 1 1 113 113 VAL N N 15 122.967 0.024 . 1 . 289 . . 108 VAL N . 17403 1
1516 . 1 1 114 114 LEU H H 1 9.453 0.005 . 1 . 197 . . 109 LEU H . 17403 1
1517 . 1 1 114 114 LEU HA H 1 4.875 0.004 . 1 . 760 . . 109 LEU HA . 17403 1
1518 . 1 1 114 114 LEU HB2 H 1 1.730 0.004 . 2 . 989 . . 109 LEU HB2 . 17403 1
1519 . 1 1 114 114 LEU HB3 H 1 1.903 0.006 . 2 . 990 . . 109 LEU HB3 . 17403 1
1520 . 1 1 114 114 LEU HG H 1 1.620 0.003 . 1 . 1403 . . 109 LEU HG . 17403 1
1521 . 1 1 114 114 LEU HD11 H 1 0.647 0.014 . 2 . 1406 . . 109 LEU HD11 . 17403 1
1522 . 1 1 114 114 LEU HD12 H 1 0.647 0.014 . 2 . 1406 . . 109 LEU HD12 . 17403 1
1523 . 1 1 114 114 LEU HD13 H 1 0.647 0.014 . 2 . 1406 . . 109 LEU HD13 . 17403 1
1524 . 1 1 114 114 LEU HD21 H 1 0.631 0.015 . 2 . 1405 . . 109 LEU HD21 . 17403 1
1525 . 1 1 114 114 LEU HD22 H 1 0.631 0.015 . 2 . 1405 . . 109 LEU HD22 . 17403 1
1526 . 1 1 114 114 LEU HD23 H 1 0.631 0.015 . 2 . 1405 . . 109 LEU HD23 . 17403 1
1527 . 1 1 114 114 LEU C C 13 177.339 . . 1 . 594 . . 109 LEU C . 17403 1
1528 . 1 1 114 114 LEU CA C 13 53.461 0.044 . 1 . 389 . . 109 LEU CA . 17403 1
1529 . 1 1 114 114 LEU CB C 13 44.714 0.04 . 1 . 388 . . 109 LEU CB . 17403 1
1530 . 1 1 114 114 LEU CG C 13 27.561 0.036 . 1 . 1404 . . 109 LEU CG . 17403 1
1531 . 1 1 114 114 LEU CD1 C 13 26.884 0.027 . 2 . 1407 . . 109 LEU CD1 . 17403 1
1532 . 1 1 114 114 LEU CD2 C 13 23.451 0.026 . 2 . 1408 . . 109 LEU CD2 . 17403 1
1533 . 1 1 114 114 LEU N N 15 128.287 0.022 . 1 . 198 . . 109 LEU N . 17403 1
1534 . 1 1 115 115 GLU H H 1 9.033 0.008 . 1 . 152 . . 110 GLU H . 17403 1
1535 . 1 1 115 115 GLU HA H 1 4.749 0.003 . 1 . 991 . . 110 GLU HA . 17403 1
1536 . 1 1 115 115 GLU HB2 H 1 2.513 0.004 . 2 . 993 . . 110 GLU HB2 . 17403 1
1537 . 1 1 115 115 GLU HB3 H 1 1.964 0.014 . 2 . 992 . . 110 GLU HB3 . 17403 1
1538 . 1 1 115 115 GLU HG2 H 1 2.428 0.008 . 2 . 1252 . . 110 GLU HG2 . 17403 1
1539 . 1 1 115 115 GLU HG3 H 1 2.514 0.003 . 2 . 1254 . . 110 GLU HG3 . 17403 1
1540 . 1 1 115 115 GLU C C 13 177.910 . . 1 . 603 . . 110 GLU C . 17403 1
1541 . 1 1 115 115 GLU CA C 13 55.343 0.042 . 1 . 328 . . 110 GLU CA . 17403 1
1542 . 1 1 115 115 GLU CB C 13 30.522 0.037 . 1 . 329 . . 110 GLU CB . 17403 1
1543 . 1 1 115 115 GLU CG C 13 36.180 0.026 . 1 . 1253 . . 110 GLU CG . 17403 1
1544 . 1 1 115 115 GLU N N 15 120.302 0.027 . 1 . 153 . . 110 GLU N . 17403 1
1545 . 1 1 116 116 GLN H H 1 8.986 0.012 . 1 . 49 . . 111 GLN H . 17403 1
1546 . 1 1 116 116 GLN HA H 1 3.970 0.009 . 1 . 994 . . 111 GLN HA . 17403 1
1547 . 1 1 116 116 GLN HB2 H 1 2.242 0.012 . 2 . 995 . . 111 GLN HB2 . 17403 1
1548 . 1 1 116 116 GLN HB3 H 1 2.600 0.002 . 2 . 996 . . 111 GLN HB3 . 17403 1
1549 . 1 1 116 116 GLN HG2 H 1 2.430 0.015 . 2 . 1156 . . 111 GLN HG2 . 17403 1
1550 . 1 1 116 116 GLN HG3 H 1 2.455 0.016 . 2 . 1155 . . 111 GLN HG3 . 17403 1
1551 . 1 1 116 116 GLN HE21 H 1 6.720 0.004 . 1 . 79 . . 111 GLN HE21 . 17403 1
1552 . 1 1 116 116 GLN HE22 H 1 7.857 0.006 . 1 . 151 . . 111 GLN HE22 . 17403 1
1553 . 1 1 116 116 GLN C C 13 177.886 . . 1 . 642 . . 111 GLN C . 17403 1
1554 . 1 1 116 116 GLN CA C 13 61.144 0.049 . 1 . 454 . . 111 GLN CA . 17403 1
1555 . 1 1 116 116 GLN CB C 13 28.394 0.037 . 1 . 453 . . 111 GLN CB . 17403 1
1556 . 1 1 116 116 GLN CG C 13 33.053 0.027 . 1 . 1157 . . 111 GLN CG . 17403 1
1557 . 1 1 116 116 GLN N N 15 123.157 0.038 . 1 . 50 . . 111 GLN N . 17403 1
1558 . 1 1 116 116 GLN NE2 N 15 111.619 0.019 . 1 . 80 . . 111 GLN NE2 . 17403 1
1559 . 1 1 117 117 SER H H 1 8.960 0.014 . 1 . 239 . . 112 SER H . 17403 1
1560 . 1 1 117 117 SER HA H 1 4.254 0.007 . 1 . 788 . . 112 SER HA . 17403 1
1561 . 1 1 117 117 SER HB2 H 1 3.956 0.004 . 2 . 997 . . 112 SER HB2 . 17403 1
1562 . 1 1 117 117 SER HB3 H 1 3.921 0.018 . 2 . 1444 . . 112 SER HB3 . 17403 1
1563 . 1 1 117 117 SER C C 13 177.159 . . 1 . 624 . . 112 SER C . 17403 1
1564 . 1 1 117 117 SER CA C 13 61.387 0.063 . 1 . 688 . . 112 SER CA . 17403 1
1565 . 1 1 117 117 SER CB C 13 61.908 0.051 . 1 . 1445 . . 112 SER CB . 17403 1
1566 . 1 1 117 117 SER N N 15 112.281 0.027 . 1 . 240 . . 112 SER N . 17403 1
1567 . 1 1 118 118 GLU H H 1 7.068 0.003 . 1 . 19 . . 113 GLU H . 17403 1
1568 . 1 1 118 118 GLU HA H 1 4.149 0.002 . 1 . 998 . . 113 GLU HA . 17403 1
1569 . 1 1 118 118 GLU HB2 H 1 2.001 0.003 . 2 . 999 . . 113 GLU HB2 . 17403 1
1570 . 1 1 118 118 GLU HB3 H 1 2.347 0.002 . 2 . 1000 . . 113 GLU HB3 . 17403 1
1571 . 1 1 118 118 GLU HG2 H 1 2.345 0.003 . 2 . 1247 . . 113 GLU HG2 . 17403 1
1572 . 1 1 118 118 GLU HG3 H 1 2.212 0.006 . 2 . 1245 . . 113 GLU HG3 . 17403 1
1573 . 1 1 118 118 GLU C C 13 178.487 . . 1 . 664 . . 113 GLU C . 17403 1
1574 . 1 1 118 118 GLU CA C 13 58.314 0.049 . 1 . 299 . . 113 GLU CA . 17403 1
1575 . 1 1 118 118 GLU CB C 13 30.821 0.028 . 1 . 298 . . 113 GLU CB . 17403 1
1576 . 1 1 118 118 GLU CG C 13 36.963 0.028 . 1 . 1246 . . 113 GLU CG . 17403 1
1577 . 1 1 118 118 GLU N N 15 122.350 0.024 . 1 . 20 . . 113 GLU N . 17403 1
1578 . 1 1 119 119 PHE H H 1 8.298 0.003 . 1 . 3 . . 114 PHE H . 17403 1
1579 . 1 1 119 119 PHE HA H 1 3.809 0.003 . 1 . 1001 . . 114 PHE HA . 17403 1
1580 . 1 1 119 119 PHE HB2 H 1 2.524 0.005 . 2 . 1136 . . 114 PHE HB2 . 17403 1
1581 . 1 1 119 119 PHE HB3 H 1 2.521 0.008 . 2 . 1002 . . 114 PHE HB3 . 17403 1
1582 . 1 1 119 119 PHE HD1 H 1 6.489 0.008 . 3 . 1074 . . 114 PHE HD1 . 17403 1
1583 . 1 1 119 119 PHE HD2 H 1 6.489 0.008 . 3 . 1074 . . 114 PHE HD2 . 17403 1
1584 . 1 1 119 119 PHE HE1 H 1 6.715 0.016 . 3 . 1086 . . 114 PHE HE1 . 17403 1
1585 . 1 1 119 119 PHE HE2 H 1 6.715 0.016 . 3 . 1086 . . 114 PHE HE2 . 17403 1
1586 . 1 1 119 119 PHE HZ H 1 6.465 0.013 . 1 . 1088 . . 114 PHE HZ . 17403 1
1587 . 1 1 119 119 PHE C C 13 177.156 . . 1 . 558 . . 114 PHE C . 17403 1
1588 . 1 1 119 119 PHE CA C 13 62.233 0.049 . 1 . 483 . . 114 PHE CA . 17403 1
1589 . 1 1 119 119 PHE CB C 13 39.574 0.041 . 1 . 482 . . 114 PHE CB . 17403 1
1590 . 1 1 119 119 PHE CD1 C 13 130.737 0.033 . 3 . 1075 . . 114 PHE CD1 . 17403 1
1591 . 1 1 119 119 PHE CD2 C 13 130.737 0.033 . 3 . 1075 . . 114 PHE CD2 . 17403 1
1592 . 1 1 119 119 PHE CE1 C 13 130.059 0.012 . 3 . 1087 . . 114 PHE CE1 . 17403 1
1593 . 1 1 119 119 PHE CE2 C 13 130.059 0.012 . 3 . 1087 . . 114 PHE CE2 . 17403 1
1594 . 1 1 119 119 PHE CZ C 13 128.188 0.007 . 1 . 1089 . . 114 PHE CZ . 17403 1
1595 . 1 1 119 119 PHE N N 15 119.673 0.031 . 1 . 4 . . 114 PHE N . 17403 1
1596 . 1 1 120 120 GLU H H 1 8.903 0.005 . 1 . 272 . . 115 GLU H . 17403 1
1597 . 1 1 120 120 GLU HA H 1 3.735 0.002 . 1 . 785 . . 115 GLU HA . 17403 1
1598 . 1 1 120 120 GLU HB2 H 1 2.061 0.007 . 2 . 1003 . . 115 GLU HB2 . 17403 1
1599 . 1 1 120 120 GLU HB3 H 1 2.133 0.012 . 2 . 1248 . . 115 GLU HB3 . 17403 1
1600 . 1 1 120 120 GLU HG2 H 1 2.277 0.013 . 2 . 1251 . . 115 GLU HG2 . 17403 1
1601 . 1 1 120 120 GLU HG3 H 1 2.522 0.003 . 2 . 1249 . . 115 GLU HG3 . 17403 1
1602 . 1 1 120 120 GLU C C 13 177.602 . . 1 . 576 . . 115 GLU C . 17403 1
1603 . 1 1 120 120 GLU CA C 13 59.780 0.058 . 1 . 381 . . 115 GLU CA . 17403 1
1604 . 1 1 120 120 GLU CB C 13 29.656 0.045 . 1 . 380 . . 115 GLU CB . 17403 1
1605 . 1 1 120 120 GLU CG C 13 37.471 0.031 . 1 . 1250 . . 115 GLU CG . 17403 1
1606 . 1 1 120 120 GLU N N 15 117.644 0.024 . 1 . 273 . . 115 GLU N . 17403 1
1607 . 1 1 121 121 ALA H H 1 7.060 0.004 . 1 . 142 . . 116 ALA H . 17403 1
1608 . 1 1 121 121 ALA HA H 1 4.215 0.019 . 1 . 746 . . 116 ALA HA . 17403 1
1609 . 1 1 121 121 ALA HB1 H 1 1.479 0.002 . 1 . 1004 . . 116 ALA HB1 . 17403 1
1610 . 1 1 121 121 ALA HB2 H 1 1.479 0.002 . 1 . 1004 . . 116 ALA HB2 . 17403 1
1611 . 1 1 121 121 ALA HB3 H 1 1.479 0.002 . 1 . 1004 . . 116 ALA HB3 . 17403 1
1612 . 1 1 121 121 ALA C C 13 178.838 . . 1 . 619 . . 116 ALA C . 17403 1
1613 . 1 1 121 121 ALA CA C 13 53.814 0.054 . 1 . 347 . . 116 ALA CA . 17403 1
1614 . 1 1 121 121 ALA CB C 13 18.508 0.04 . 1 . 382 . . 116 ALA CB . 17403 1
1615 . 1 1 121 121 ALA N N 15 117.194 0.031 . 1 . 143 . . 116 ALA N . 17403 1
1616 . 1 1 122 122 LEU H H 1 7.198 0.002 . 1 . 90 . . 117 LEU H . 17403 1
1617 . 1 1 122 122 LEU HA H 1 4.290 0.008 . 1 . 736 . . 117 LEU HA . 17403 1
1618 . 1 1 122 122 LEU HB2 H 1 1.533 0.014 . 2 . 1396 . . 117 LEU HB2 . 17403 1
1619 . 1 1 122 122 LEU HB3 H 1 1.481 0.004 . 2 . 1005 . . 117 LEU HB3 . 17403 1
1620 . 1 1 122 122 LEU HG H 1 1.628 0.002 . 1 . 1397 . . 117 LEU HG . 17403 1
1621 . 1 1 122 122 LEU HD11 H 1 0.654 0.007 . 2 . 1399 . . 117 LEU HD11 . 17403 1
1622 . 1 1 122 122 LEU HD12 H 1 0.654 0.007 . 2 . 1399 . . 117 LEU HD12 . 17403 1
1623 . 1 1 122 122 LEU HD13 H 1 0.654 0.007 . 2 . 1399 . . 117 LEU HD13 . 17403 1
1624 . 1 1 122 122 LEU HD21 H 1 0.433 0.011 . 2 . 1398 . . 117 LEU HD21 . 17403 1
1625 . 1 1 122 122 LEU HD22 H 1 0.433 0.011 . 2 . 1398 . . 117 LEU HD22 . 17403 1
1626 . 1 1 122 122 LEU HD23 H 1 0.433 0.011 . 2 . 1398 . . 117 LEU HD23 . 17403 1
1627 . 1 1 122 122 LEU C C 13 177.329 . . 1 . 574 . . 117 LEU C . 17403 1
1628 . 1 1 122 122 LEU CA C 13 54.735 0.043 . 1 . 498 . . 117 LEU CA . 17403 1
1629 . 1 1 122 122 LEU CB C 13 45.136 0.039 . 1 . 509 . . 117 LEU CB . 17403 1
1630 . 1 1 122 122 LEU CG C 13 26.565 0.037 . 1 . 1400 . . 117 LEU CG . 17403 1
1631 . 1 1 122 122 LEU CD1 C 13 22.284 0.027 . 2 . 1402 . . 117 LEU CD1 . 17403 1
1632 . 1 1 122 122 LEU CD2 C 13 24.928 0.025 . 2 . 1401 . . 117 LEU CD2 . 17403 1
1633 . 1 1 122 122 LEU N N 15 117.225 0.017 . 1 . 91 . . 117 LEU N . 17403 1
1634 . 1 1 123 123 TYR H H 1 7.959 0.003 . 1 . 286 . . 118 TYR H . 17403 1
1635 . 1 1 123 123 TYR HA H 1 3.951 0.006 . 1 . 747 . . 118 TYR HA . 17403 1
1636 . 1 1 123 123 TYR HB2 H 1 2.030 0.006 . 2 . 1006 . . 118 TYR HB2 . 17403 1
1637 . 1 1 123 123 TYR HB3 H 1 2.497 0.007 . 2 . 1007 . . 118 TYR HB3 . 17403 1
1638 . 1 1 123 123 TYR HD1 H 1 7.045 0.013 . 3 . 1060 . . 118 TYR HD1 . 17403 1
1639 . 1 1 123 123 TYR HD2 H 1 7.045 0.013 . 3 . 1060 . . 118 TYR HD2 . 17403 1
1640 . 1 1 123 123 TYR HE1 H 1 6.858 0.003 . 3 . 1066 . . 118 TYR HE1 . 17403 1
1641 . 1 1 123 123 TYR HE2 H 1 6.858 0.003 . 3 . 1066 . . 118 TYR HE2 . 17403 1
1642 . 1 1 123 123 TYR HH H 1 8.996 0.008 . 1 . 1675 . . 118 TYR HH . 17403 1
1643 . 1 1 123 123 TYR C C 13 175.620 . . 1 . 613 . . 118 TYR C . 17403 1
1644 . 1 1 123 123 TYR CA C 13 59.534 0.046 . 1 . 427 . . 118 TYR CA . 17403 1
1645 . 1 1 123 123 TYR CB C 13 39.133 0.035 . 1 . 426 . . 118 TYR CB . 17403 1
1646 . 1 1 123 123 TYR CD1 C 13 132.991 0.018 . 3 . 1061 . . 118 TYR CD1 . 17403 1
1647 . 1 1 123 123 TYR CD2 C 13 132.991 0.018 . 3 . 1061 . . 118 TYR CD2 . 17403 1
1648 . 1 1 123 123 TYR CE1 C 13 118.016 0.011 . 3 . 1067 . . 118 TYR CE1 . 17403 1
1649 . 1 1 123 123 TYR CE2 C 13 118.016 0.011 . 3 . 1067 . . 118 TYR CE2 . 17403 1
1650 . 1 1 123 123 TYR N N 15 120.436 0.018 . 1 . 287 . . 118 TYR N . 17403 1
1651 . 1 1 124 124 GLN H H 1 7.277 0.006 . 1 . 203 . . 119 GLN H . 17403 1
1652 . 1 1 124 124 GLN HA H 1 4.609 0.005 . 1 . 766 . . 119 GLN HA . 17403 1
1653 . 1 1 124 124 GLN HB2 H 1 2.410 0.007 . 2 . 1158 . . 119 GLN HB2 . 17403 1
1654 . 1 1 124 124 GLN HB3 H 1 1.810 0.01 . 2 . 1159 . . 119 GLN HB3 . 17403 1
1655 . 1 1 124 124 GLN HG2 H 1 2.221 0.006 . 2 . 1161 . . 119 GLN HG2 . 17403 1
1656 . 1 1 124 124 GLN HG3 H 1 2.290 0.006 . 2 . 1160 . . 119 GLN HG3 . 17403 1
1657 . 1 1 124 124 GLN HE21 H 1 7.335 0.006 . 1 . 53 . . 119 GLN HE21 . 17403 1
1658 . 1 1 124 124 GLN HE22 H 1 7.027 0.011 . 1 . 41 . . 119 GLN HE22 . 17403 1
1659 . 1 1 124 124 GLN CA C 13 54.739 0.049 . 1 . 699 . . 119 GLN CA . 17403 1
1660 . 1 1 124 124 GLN CB C 13 29.532 0.027 . 1 . 700 . . 119 GLN CB . 17403 1
1661 . 1 1 124 124 GLN CG C 13 34.354 0.03 . 1 . 1162 . . 119 GLN CG . 17403 1
1662 . 1 1 124 124 GLN N N 15 124.324 0.025 . 1 . 204 . . 119 GLN N . 17403 1
1663 . 1 1 124 124 GLN NE2 N 15 111.178 0.043 . 1 . 42 . . 119 GLN NE2 . 17403 1
1664 . 1 1 125 125 GLY H H 1 4.930 0.003 . 1 . 1680 . . 120 GLY H . 17403 1
1665 . 1 1 125 125 GLY HA2 H 1 3.397 0.002 . 2 . 1008 . . 120 GLY HA2 . 17403 1
1666 . 1 1 125 125 GLY HA3 H 1 3.935 0.006 . 2 . 1009 . . 120 GLY HA3 . 17403 1
1667 . 1 1 125 125 GLY C C 13 172.418 . . 1 . 584 . . 120 GLY C . 17403 1
1668 . 1 1 125 125 GLY CA C 13 46.302 0.047 . 1 . 708 . . 120 GLY CA . 17403 1
1669 . 1 1 125 125 GLY N N 15 102.962 . . 1 . 1681 . . 120 GLY N . 17403 1
1670 . 1 1 126 126 HIS H H 1 7.305 0.009 . 1 . 1624 . . 121 HIS H . 17403 1
1671 . 1 1 126 126 HIS HA H 1 5.337 0.004 . 1 . 1623 . . 121 HIS HA . 17403 1
1672 . 1 1 126 126 HIS HB2 H 1 3.036 0.013 . 2 . 1010 . . 121 HIS HB2 . 17403 1
1673 . 1 1 126 126 HIS HB3 H 1 3.080 0.012 . 2 . 1011 . . 121 HIS HB3 . 17403 1
1674 . 1 1 126 126 HIS HD2 H 1 7.013 0.005 . 1 . 1626 . . 121 HIS HD2 . 17403 1
1675 . 1 1 126 126 HIS HE1 H 1 8.074 0.006 . 1 . 1614 . . 121 HIS HE1 . 17403 1
1676 . 1 1 126 126 HIS C C 13 174.201 . . 1 . 550 . . 121 HIS C . 17403 1
1677 . 1 1 126 126 HIS CA C 13 54.721 0.042 . 1 . 1622 . . 121 HIS CA . 17403 1
1678 . 1 1 126 126 HIS CB C 13 32.741 0.04 . 1 . 1625 . . 121 HIS CB . 17403 1
1679 . 1 1 126 126 HIS CD2 C 13 120.128 0.038 . 1 . 1627 . . 121 HIS CD2 . 17403 1
1680 . 1 1 126 126 HIS CE1 C 13 137.399 0.025 . 1 . 1615 . . 121 HIS CE1 . 17403 1
1681 . 1 1 126 126 HIS N N 15 116.571 0.033 . 1 . 1644 . . 121 HIS N . 17403 1
1682 . 1 1 126 126 HIS ND1 N 15 197.049 0.027 . 1 . 1634 . . 121 HIS ND1 . 17403 1
1683 . 1 1 126 126 HIS NE2 N 15 184.343 0.002 . 1 . 1635 . . 121 HIS NE2 . 17403 1
1684 . 1 1 127 127 ILE H H 1 9.125 0.005 . 1 . 140 . . 122 ILE H . 17403 1
1685 . 1 1 127 127 ILE HA H 1 5.131 0.002 . 1 . 815 . . 122 ILE HA . 17403 1
1686 . 1 1 127 127 ILE HB H 1 1.867 0.006 . 1 . 1012 . . 122 ILE HB . 17403 1
1687 . 1 1 127 127 ILE HG12 H 1 1.176 0.007 . 2 . 1319 . . 122 ILE HG12 . 17403 1
1688 . 1 1 127 127 ILE HG13 H 1 1.454 0.013 . 2 . 1318 . . 122 ILE HG13 . 17403 1
1689 . 1 1 127 127 ILE HG21 H 1 0.833 0.019 . 1 . 1317 . . 122 ILE HG21 . 17403 1
1690 . 1 1 127 127 ILE HG22 H 1 0.833 0.019 . 1 . 1317 . . 122 ILE HG22 . 17403 1
1691 . 1 1 127 127 ILE HG23 H 1 0.833 0.019 . 1 . 1317 . . 122 ILE HG23 . 17403 1
1692 . 1 1 127 127 ILE HD11 H 1 0.781 0.01 . 1 . 1321 . . 122 ILE HD11 . 17403 1
1693 . 1 1 127 127 ILE HD12 H 1 0.781 0.01 . 1 . 1321 . . 122 ILE HD12 . 17403 1
1694 . 1 1 127 127 ILE HD13 H 1 0.781 0.01 . 1 . 1321 . . 122 ILE HD13 . 17403 1
1695 . 1 1 127 127 ILE C C 13 172.278 . . 1 . 559 . . 122 ILE C . 17403 1
1696 . 1 1 127 127 ILE CA C 13 58.865 0.046 . 1 . 409 . . 122 ILE CA . 17403 1
1697 . 1 1 127 127 ILE CB C 13 43.110 0.035 . 1 . 408 . . 122 ILE CB . 17403 1
1698 . 1 1 127 127 ILE CG1 C 13 28.231 0.027 . 1 . 1322 . . 122 ILE CG1 . 17403 1
1699 . 1 1 127 127 ILE CG2 C 13 17.573 0.029 . 1 . 1320 . . 122 ILE CG2 . 17403 1
1700 . 1 1 127 127 ILE CD1 C 13 15.089 0.033 . 1 . 1323 . . 122 ILE CD1 . 17403 1
1701 . 1 1 127 127 ILE N N 15 124.227 0.032 . 1 . 141 . . 122 ILE N . 17403 1
1702 . 1 1 128 128 ILE H H 1 9.202 0.007 . 1 . 183 . . 123 ILE H . 17403 1
1703 . 1 1 128 128 ILE HA H 1 4.793 0.004 . 1 . 743 . . 123 ILE HA . 17403 1
1704 . 1 1 128 128 ILE HB H 1 1.653 0.011 . 1 . 1013 . . 123 ILE HB . 17403 1
1705 . 1 1 128 128 ILE HG12 H 1 1.199 0.01 . 2 . 1325 . . 123 ILE HG12 . 17403 1
1706 . 1 1 128 128 ILE HG13 H 1 0.653 0.006 . 2 . 1324 . . 123 ILE HG13 . 17403 1
1707 . 1 1 128 128 ILE HG21 H 1 0.729 0.014 . 1 . 1326 . . 123 ILE HG21 . 17403 1
1708 . 1 1 128 128 ILE HG22 H 1 0.729 0.014 . 1 . 1326 . . 123 ILE HG22 . 17403 1
1709 . 1 1 128 128 ILE HG23 H 1 0.729 0.014 . 1 . 1326 . . 123 ILE HG23 . 17403 1
1710 . 1 1 128 128 ILE HD11 H 1 0.146 0.004 . 1 . 1328 . . 123 ILE HD11 . 17403 1
1711 . 1 1 128 128 ILE HD12 H 1 0.146 0.004 . 1 . 1328 . . 123 ILE HD12 . 17403 1
1712 . 1 1 128 128 ILE HD13 H 1 0.146 0.004 . 1 . 1328 . . 123 ILE HD13 . 17403 1
1713 . 1 1 128 128 ILE C C 13 175.166 . . 1 . 565 . . 123 ILE C . 17403 1
1714 . 1 1 128 128 ILE CA C 13 60.188 0.034 . 1 . 497 . . 123 ILE CA . 17403 1
1715 . 1 1 128 128 ILE CB C 13 38.841 0.043 . 1 . 496 . . 123 ILE CB . 17403 1
1716 . 1 1 128 128 ILE CG1 C 13 28.065 0.029 . 1 . 1329 . . 123 ILE CG1 . 17403 1
1717 . 1 1 128 128 ILE CG2 C 13 18.103 0.034 . 1 . 1327 . . 123 ILE CG2 . 17403 1
1718 . 1 1 128 128 ILE CD1 C 13 13.482 0.029 . 1 . 1330 . . 123 ILE CD1 . 17403 1
1719 . 1 1 128 128 ILE N N 15 125.053 0.024 . 1 . 184 . . 123 ILE N . 17403 1
1720 . 1 1 129 129 LEU H H 1 8.779 0.005 . 1 . 284 . . 124 LEU H . 17403 1
1721 . 1 1 129 129 LEU HA H 1 4.926 0.004 . 1 . 722 . . 124 LEU HA . 17403 1
1722 . 1 1 129 129 LEU HB2 H 1 1.509 0.009 . 2 . 1014 . . 124 LEU HB2 . 17403 1
1723 . 1 1 129 129 LEU HB3 H 1 1.749 0.013 . 2 . 1015 . . 124 LEU HB3 . 17403 1
1724 . 1 1 129 129 LEU HG H 1 1.719 0.009 . 1 . 1556 . . 124 LEU HG . 17403 1
1725 . 1 1 129 129 LEU HD11 H 1 0.904 0.008 . 2 . 1555 . . 124 LEU HD11 . 17403 1
1726 . 1 1 129 129 LEU HD12 H 1 0.904 0.008 . 2 . 1555 . . 124 LEU HD12 . 17403 1
1727 . 1 1 129 129 LEU HD13 H 1 0.904 0.008 . 2 . 1555 . . 124 LEU HD13 . 17403 1
1728 . 1 1 129 129 LEU HD21 H 1 0.901 0.003 . 2 . 1693 . . 124 LEU HD21 . 17403 1
1729 . 1 1 129 129 LEU HD22 H 1 0.901 0.003 . 2 . 1693 . . 124 LEU HD22 . 17403 1
1730 . 1 1 129 129 LEU HD23 H 1 0.901 0.003 . 2 . 1693 . . 124 LEU HD23 . 17403 1
1731 . 1 1 129 129 LEU C C 13 177.045 . . 1 . 605 . . 124 LEU C . 17403 1
1732 . 1 1 129 129 LEU CA C 13 53.308 0.051 . 1 . 353 . . 124 LEU CA . 17403 1
1733 . 1 1 129 129 LEU CB C 13 42.705 0.023 . 1 . 354 . . 124 LEU CB . 17403 1
1734 . 1 1 129 129 LEU CG C 13 26.858 0.053 . 1 . 1557 . . 124 LEU CG . 17403 1
1735 . 1 1 129 129 LEU CD1 C 13 26.400 0.041 . 2 . 1554 . . 124 LEU CD1 . 17403 1
1736 . 1 1 129 129 LEU CD2 C 13 23.907 0.037 . 2 . 1692 . . 124 LEU CD2 . 17403 1
1737 . 1 1 129 129 LEU N N 15 126.842 0.015 . 1 . 285 . . 124 LEU N . 17403 1
1738 . 1 1 130 130 ILE H H 1 8.783 0.004 . 1 . 104 . . 125 ILE H . 17403 1
1739 . 1 1 130 130 ILE HA H 1 4.882 0.007 . 1 . 1016 . . 125 ILE HA . 17403 1
1740 . 1 1 130 130 ILE HB H 1 1.875 0.008 . 1 . 1017 . . 125 ILE HB . 17403 1
1741 . 1 1 130 130 ILE HG12 H 1 1.602 0.003 . 2 . 1333 . . 125 ILE HG12 . 17403 1
1742 . 1 1 130 130 ILE HG13 H 1 1.233 0.01 . 2 . 1332 . . 125 ILE HG13 . 17403 1
1743 . 1 1 130 130 ILE HG21 H 1 0.634 0.01 . 1 . 1331 . . 125 ILE HG21 . 17403 1
1744 . 1 1 130 130 ILE HG22 H 1 0.634 0.01 . 1 . 1331 . . 125 ILE HG22 . 17403 1
1745 . 1 1 130 130 ILE HG23 H 1 0.634 0.01 . 1 . 1331 . . 125 ILE HG23 . 17403 1
1746 . 1 1 130 130 ILE HD11 H 1 0.986 0.007 . 1 . 1335 . . 125 ILE HD11 . 17403 1
1747 . 1 1 130 130 ILE HD12 H 1 0.986 0.007 . 1 . 1335 . . 125 ILE HD12 . 17403 1
1748 . 1 1 130 130 ILE HD13 H 1 0.986 0.007 . 1 . 1335 . . 125 ILE HD13 . 17403 1
1749 . 1 1 130 130 ILE C C 13 174.422 . . 1 . 648 . . 125 ILE C . 17403 1
1750 . 1 1 130 130 ILE CA C 13 60.073 0.058 . 1 . 458 . . 125 ILE CA . 17403 1
1751 . 1 1 130 130 ILE CB C 13 40.905 0.066 . 1 . 457 . . 125 ILE CB . 17403 1
1752 . 1 1 130 130 ILE CG1 C 13 28.719 0.048 . 1 . 1336 . . 125 ILE CG1 . 17403 1
1753 . 1 1 130 130 ILE CG2 C 13 19.851 0.018 . 1 . 1334 . . 125 ILE CG2 . 17403 1
1754 . 1 1 130 130 ILE CD1 C 13 16.514 0.054 . 1 . 1337 . . 125 ILE CD1 . 17403 1
1755 . 1 1 130 130 ILE N N 15 119.678 0.043 . 1 . 105 . . 125 ILE N . 17403 1
1756 . 1 1 131 131 ALA H H 1 8.859 0.008 . 1 . 245 . . 126 ALA H . 17403 1
1757 . 1 1 131 131 ALA HA H 1 4.498 0.01 . 1 . 676 . . 126 ALA HA . 17403 1
1758 . 1 1 131 131 ALA HB1 H 1 1.403 0.002 . 1 . 677 . . 126 ALA HB1 . 17403 1
1759 . 1 1 131 131 ALA HB2 H 1 1.403 0.002 . 1 . 677 . . 126 ALA HB2 . 17403 1
1760 . 1 1 131 131 ALA HB3 H 1 1.403 0.002 . 1 . 677 . . 126 ALA HB3 . 17403 1
1761 . 1 1 131 131 ALA C C 13 175.288 . . 1 . 580 . . 126 ALA C . 17403 1
1762 . 1 1 131 131 ALA CA C 13 50.738 0.034 . 1 . 460 . . 126 ALA CA . 17403 1
1763 . 1 1 131 131 ALA CB C 13 22.234 0.05 . 1 . 459 . . 126 ALA CB . 17403 1
1764 . 1 1 131 131 ALA N N 15 130.248 0.014 . 1 . 246 . . 126 ALA N . 17403 1
1765 . 1 1 132 132 SER H H 1 8.478 0.004 . 1 . 241 . . 127 SER H . 17403 1
1766 . 1 1 132 132 SER HA H 1 4.600 0.003 . 1 . 530 . . 127 SER HA . 17403 1
1767 . 1 1 132 132 SER HB2 H 1 3.805 0.004 . 2 . 1018 . . 127 SER HB2 . 17403 1
1768 . 1 1 132 132 SER HB3 H 1 4.085 0.004 . 2 . 1019 . . 127 SER HB3 . 17403 1
1769 . 1 1 132 132 SER HG H 1 8.937 . . 1 . 1694 . . 127 SER HG . 17403 1
1770 . 1 1 132 132 SER C C 13 174.882 . . 1 . 627 . . 127 SER C . 17403 1
1771 . 1 1 132 132 SER CA C 13 57.557 0.064 . 1 . 675 . . 127 SER CA . 17403 1
1772 . 1 1 132 132 SER CB C 13 64.718 0.058 . 1 . 674 . . 127 SER CB . 17403 1
1773 . 1 1 132 132 SER N N 15 113.898 0.027 . 1 . 242 . . 127 SER N . 17403 1
1774 . 1 1 133 133 ARG H H 1 8.769 0.006 . 1 . 27 . . 128 ARG H . 17403 1
1775 . 1 1 133 133 ARG HA H 1 4.326 0.02 . 1 . 790 . . 128 ARG HA . 17403 1
1776 . 1 1 133 133 ARG HB2 H 1 1.822 0.002 . 2 . 1434 . . 128 ARG HB2 . 17403 1
1777 . 1 1 133 133 ARG HB3 H 1 1.920 0.003 . 2 . 1433 . . 128 ARG HB3 . 17403 1
1778 . 1 1 133 133 ARG HG2 H 1 1.655 0.01 . 2 . 1436 . . 128 ARG HG2 . 17403 1
1779 . 1 1 133 133 ARG HG3 H 1 1.693 0.019 . 2 . 1435 . . 128 ARG HG3 . 17403 1
1780 . 1 1 133 133 ARG HD2 H 1 3.209 0.002 . 2 . 1438 . . 128 ARG HD2 . 17403 1
1781 . 1 1 133 133 ARG HD3 H 1 3.209 0.002 . 2 . 1439 . . 128 ARG HD3 . 17403 1
1782 . 1 1 133 133 ARG HE H 1 7.241 0.005 . 1 . 1603 . . 128 ARG HE . 17403 1
1783 . 1 1 133 133 ARG C C 13 177.006 0.002 . 1 . 1450 . . 128 ARG C . 17403 1
1784 . 1 1 133 133 ARG CA C 13 57.267 0.075 . 1 . 1432 . . 128 ARG CA . 17403 1
1785 . 1 1 133 133 ARG CB C 13 30.611 0.032 . 1 . 1452 . . 128 ARG CB . 17403 1
1786 . 1 1 133 133 ARG CG C 13 27.480 0.034 . 1 . 1437 . . 128 ARG CG . 17403 1
1787 . 1 1 133 133 ARG CD C 13 43.508 0.04 . 1 . 1440 . . 128 ARG CD . 17403 1
1788 . 1 1 133 133 ARG N N 15 122.019 0.02 . 1 . 28 . . 128 ARG N . 17403 1
1789 . 1 1 133 133 ARG NE N 15 84.642 . . 1 . 1604 . . 128 ARG NE . 17403 1
1790 . 1 1 134 134 SER H H 1 8.437 0.003 . 1 . 98 . . 129 SER H . 17403 1
1791 . 1 1 134 134 SER HA H 1 4.466 0.01 . 1 . 798 . . 129 SER HA . 17403 1
1792 . 1 1 134 134 SER HB2 H 1 3.928 0.007 . 2 . 1431 . . 129 SER HB2 . 17403 1
1793 . 1 1 134 134 SER HB3 H 1 3.868 0.015 . 2 . 1567 . . 129 SER HB3 . 17403 1
1794 . 1 1 134 134 SER C C 13 174.994 0.002 . 1 . 1566 . . 129 SER C . 17403 1
1795 . 1 1 134 134 SER CA C 13 58.864 0.029 . 1 . 397 . . 129 SER CA . 17403 1
1796 . 1 1 134 134 SER CB C 13 63.641 0.032 . 1 . 396 . . 129 SER CB . 17403 1
1797 . 1 1 134 134 SER N N 15 115.832 0.026 . 1 . 99 . . 129 SER N . 17403 1
1798 . 1 1 135 135 SER H H 1 8.392 0.01 . 1 . 1569 . . 130 SER H . 17403 1
1799 . 1 1 135 135 SER HA H 1 4.481 0.007 . 1 . 1575 . . 130 SER HA . 17403 1
1800 . 1 1 135 135 SER HB2 H 1 3.990 0.014 . 2 . 1573 . . 130 SER HB2 . 17403 1
1801 . 1 1 135 135 SER HB3 H 1 3.943 0.011 . 2 . 1574 . . 130 SER HB3 . 17403 1
1802 . 1 1 135 135 SER C C 13 175.029 0.003 . 1 . 1572 . . 130 SER C . 17403 1
1803 . 1 1 135 135 SER CA C 13 58.905 0.07 . 1 . 1451 . . 130 SER CA . 17403 1
1804 . 1 1 135 135 SER CB C 13 63.634 0.041 . 1 . 1571 . . 130 SER CB . 17403 1
1805 . 1 1 135 135 SER N N 15 118.547 0.028 . 1 . 1570 . . 130 SER N . 17403 1
1806 . 1 1 136 136 VAL H H 1 8.064 0.004 . 1 . 163 . . 131 VAL H . 17403 1
1807 . 1 1 136 136 VAL HA H 1 4.138 0.002 . 1 . 1020 . . 131 VAL HA . 17403 1
1808 . 1 1 136 136 VAL HB H 1 2.117 0.003 . 1 . 1021 . . 131 VAL HB . 17403 1
1809 . 1 1 136 136 VAL HG11 H 1 0.944 0.003 . 2 . 1239 . . 131 VAL HG11 . 17403 1
1810 . 1 1 136 136 VAL HG12 H 1 0.944 0.003 . 2 . 1239 . . 131 VAL HG12 . 17403 1
1811 . 1 1 136 136 VAL HG13 H 1 0.944 0.003 . 2 . 1239 . . 131 VAL HG13 . 17403 1
1812 . 1 1 136 136 VAL HG21 H 1 0.942 0.01 . 2 . 1241 . . 131 VAL HG21 . 17403 1
1813 . 1 1 136 136 VAL HG22 H 1 0.942 0.01 . 2 . 1241 . . 131 VAL HG22 . 17403 1
1814 . 1 1 136 136 VAL HG23 H 1 0.942 0.01 . 2 . 1241 . . 131 VAL HG23 . 17403 1
1815 . 1 1 136 136 VAL C C 13 176.126 0.001 . 1 . 656 . . 131 VAL C . 17403 1
1816 . 1 1 136 136 VAL CA C 13 62.513 0.053 . 1 . 705 . . 131 VAL CA . 17403 1
1817 . 1 1 136 136 VAL CB C 13 32.561 0.033 . 1 . 340 . . 131 VAL CB . 17403 1
1818 . 1 1 136 136 VAL CG1 C 13 20.514 0.038 . 2 . 1240 . . 131 VAL CG1 . 17403 1
1819 . 1 1 136 136 VAL CG2 C 13 21.200 0.027 . 2 . 1353 . . 131 VAL CG2 . 17403 1
1820 . 1 1 136 136 VAL N N 15 121.275 0.023 . 1 . 164 . . 131 VAL N . 17403 1
1821 . 1 1 137 137 ALA H H 1 8.200 0.005 . 1 . 77 . . 132 ALA H . 17403 1
1822 . 1 1 137 137 ALA HA H 1 4.309 0.006 . 1 . 778 . . 132 ALA HA . 17403 1
1823 . 1 1 137 137 ALA HB1 H 1 1.406 0.009 . 1 . 1022 . . 132 ALA HB1 . 17403 1
1824 . 1 1 137 137 ALA HB2 H 1 1.406 0.009 . 1 . 1022 . . 132 ALA HB2 . 17403 1
1825 . 1 1 137 137 ALA HB3 H 1 1.406 0.009 . 1 . 1022 . . 132 ALA HB3 . 17403 1
1826 . 1 1 137 137 ALA C C 13 178.271 . . 1 . 628 . . 132 ALA C . 17403 1
1827 . 1 1 137 137 ALA CA C 13 52.791 0.056 . 1 . 704 . . 132 ALA CA . 17403 1
1828 . 1 1 137 137 ALA CB C 13 19.213 0.071 . 1 . 703 . . 132 ALA CB . 17403 1
1829 . 1 1 137 137 ALA N N 15 126.464 0.033 . 1 . 78 . . 132 ALA N . 17403 1
1830 . 1 1 138 138 GLY H H 1 8.219 0.004 . 1 . 54 . . 133 GLY H . 17403 1
1831 . 1 1 138 138 GLY HA2 H 1 3.934 0.005 . 2 . 1178 . . 133 GLY HA2 . 17403 1
1832 . 1 1 138 138 GLY HA3 H 1 3.934 0.005 . 2 . 1023 . . 133 GLY HA3 . 17403 1
1833 . 1 1 138 138 GLY C C 13 174.198 . . 1 . 662 . . 133 GLY C . 17403 1
1834 . 1 1 138 138 GLY CA C 13 45.359 0.045 . 1 . 332 . . 133 GLY CA . 17403 1
1835 . 1 1 138 138 GLY N N 15 107.877 0.033 . 1 . 55 . . 133 GLY N . 17403 1
1836 . 1 1 139 139 LYS H H 1 8.055 0.008 . 1 . 62 . . 134 LYS H . 17403 1
1837 . 1 1 139 139 LYS HA H 1 4.319 0.003 . 1 . 1024 . . 134 LYS HA . 17403 1
1838 . 1 1 139 139 LYS HB2 H 1 1.738 0.007 . 2 . 1025 . . 134 LYS HB2 . 17403 1
1839 . 1 1 139 139 LYS HB3 H 1 1.841 0.003 . 2 . 1026 . . 134 LYS HB3 . 17403 1
1840 . 1 1 139 139 LYS HG2 H 1 1.389 0.004 . 2 . 1496 . . 134 LYS HG2 . 17403 1
1841 . 1 1 139 139 LYS HG3 H 1 1.434 0.008 . 2 . 1495 . . 134 LYS HG3 . 17403 1
1842 . 1 1 139 139 LYS HD2 H 1 1.674 0.005 . 2 . 1498 . . 134 LYS HD2 . 17403 1
1843 . 1 1 139 139 LYS HD3 H 1 1.674 0.005 . 2 . 1499 . . 134 LYS HD3 . 17403 1
1844 . 1 1 139 139 LYS HE2 H 1 2.992 0.005 . 2 . 1501 . . 134 LYS HE2 . 17403 1
1845 . 1 1 139 139 LYS HE3 H 1 2.992 0.005 . 2 . 1502 . . 134 LYS HE3 . 17403 1
1846 . 1 1 139 139 LYS C C 13 176.522 . . 1 . 556 . . 134 LYS C . 17403 1
1847 . 1 1 139 139 LYS CA C 13 56.247 0.06 . 1 . 331 . . 134 LYS CA . 17403 1
1848 . 1 1 139 139 LYS CB C 13 33.116 0.021 . 1 . 330 . . 134 LYS CB . 17403 1
1849 . 1 1 139 139 LYS CG C 13 24.710 0.027 . 1 . 1497 . . 134 LYS CG . 17403 1
1850 . 1 1 139 139 LYS CD C 13 29.065 0.005 . 1 . 1500 . . 134 LYS CD . 17403 1
1851 . 1 1 139 139 LYS CE C 13 42.123 0.066 . 1 . 1503 . . 134 LYS CE . 17403 1
1852 . 1 1 139 139 LYS N N 15 120.517 0.038 . 1 . 63 . . 134 LYS N . 17403 1
1853 . 1 1 140 140 LEU H H 1 8.194 0.003 . 1 . 56 . . 135 LEU H . 17403 1
1854 . 1 1 140 140 LEU HA H 1 4.324 0.003 . 1 . 748 . . 135 LEU HA . 17403 1
1855 . 1 1 140 140 LEU HB2 H 1 1.549 0.014 . 2 . 1027 . . 135 LEU HB2 . 17403 1
1856 . 1 1 140 140 LEU HB3 H 1 1.618 0.009 . 2 . 1028 . . 135 LEU HB3 . 17403 1
1857 . 1 1 140 140 LEU HG H 1 1.588 0.014 . 1 . 1568 . . 135 LEU HG . 17403 1
1858 . 1 1 140 140 LEU HD11 H 1 0.874 0.003 . 2 . 1393 . . 135 LEU HD11 . 17403 1
1859 . 1 1 140 140 LEU HD12 H 1 0.874 0.003 . 2 . 1393 . . 135 LEU HD12 . 17403 1
1860 . 1 1 140 140 LEU HD13 H 1 0.874 0.003 . 2 . 1393 . . 135 LEU HD13 . 17403 1
1861 . 1 1 140 140 LEU HD21 H 1 0.814 0.002 . 2 . 1391 . . 135 LEU HD21 . 17403 1
1862 . 1 1 140 140 LEU HD22 H 1 0.814 0.002 . 2 . 1391 . . 135 LEU HD22 . 17403 1
1863 . 1 1 140 140 LEU HD23 H 1 0.814 0.002 . 2 . 1391 . . 135 LEU HD23 . 17403 1
1864 . 1 1 140 140 LEU C C 13 176.745 . . 1 . 554 . . 135 LEU C . 17403 1
1865 . 1 1 140 140 LEU CA C 13 54.982 0.039 . 1 . 399 . . 135 LEU CA . 17403 1
1866 . 1 1 140 140 LEU CB C 13 42.348 0.043 . 1 . 398 . . 135 LEU CB . 17403 1
1867 . 1 1 140 140 LEU CG C 13 26.971 0.034 . 1 . 1392 . . 135 LEU CG . 17403 1
1868 . 1 1 140 140 LEU CD1 C 13 25.036 0.033 . 2 . 1394 . . 135 LEU CD1 . 17403 1
1869 . 1 1 140 140 LEU CD2 C 13 23.551 0.035 . 2 . 1395 . . 135 LEU CD2 . 17403 1
1870 . 1 1 140 140 LEU N N 15 122.935 0.034 . 1 . 57 . . 135 LEU N . 17403 1
1871 . 1 1 141 141 ALA H H 1 8.132 0.007 . 1 . 166 . . 136 ALA H . 17403 1
1872 . 1 1 141 141 ALA HA H 1 4.319 0.004 . 1 . 774 . . 136 ALA HA . 17403 1
1873 . 1 1 141 141 ALA HB1 H 1 1.371 0.003 . 1 . 1029 . . 136 ALA HB1 . 17403 1
1874 . 1 1 141 141 ALA HB2 H 1 1.371 0.003 . 1 . 1029 . . 136 ALA HB2 . 17403 1
1875 . 1 1 141 141 ALA HB3 H 1 1.371 0.003 . 1 . 1029 . . 136 ALA HB3 . 17403 1
1876 . 1 1 141 141 ALA C C 13 176.395 . . 1 . 612 . . 136 ALA C . 17403 1
1877 . 1 1 141 141 ALA CA C 13 52.271 0.04 . 1 . 473 . . 136 ALA CA . 17403 1
1878 . 1 1 141 141 ALA CB C 13 19.304 0.016 . 1 . 400 . . 136 ALA CB . 17403 1
1879 . 1 1 141 141 ALA N N 15 125.443 0.048 . 1 . 167 . . 136 ALA N . 17403 1
1880 . 1 1 142 142 LYS H H 1 7.807 0.005 . 1 . 261 . . 137 LYS H . 17403 1
1881 . 1 1 142 142 LYS HA H 1 4.124 0.004 . 1 . 1354 . . 137 LYS HA . 17403 1
1882 . 1 1 142 142 LYS HB2 H 1 1.802 0.002 . 2 . 1505 . . 137 LYS HB2 . 17403 1
1883 . 1 1 142 142 LYS HB3 H 1 1.697 0.004 . 2 . 1504 . . 137 LYS HB3 . 17403 1
1884 . 1 1 142 142 LYS HG2 H 1 1.381 0.013 . 2 . 1507 . . 137 LYS HG2 . 17403 1
1885 . 1 1 142 142 LYS HG3 H 1 1.381 0.012 . 2 . 1506 . . 137 LYS HG3 . 17403 1
1886 . 1 1 142 142 LYS HD2 H 1 1.664 0.002 . 1 . 1509 . . 137 LYS HD2 . 17403 1
1887 . 1 1 142 142 LYS HD3 H 1 1.664 0.002 . 1 . 1510 . . 137 LYS HD3 . 17403 1
1888 . 1 1 142 142 LYS HE2 H 1 2.978 0.006 . 2 . 1513 . . 137 LYS HE2 . 17403 1
1889 . 1 1 142 142 LYS HE3 H 1 2.976 0.007 . 2 . 1514 . . 137 LYS HE3 . 17403 1
1890 . 1 1 142 142 LYS CA C 13 57.634 0.08 . 1 . 1355 . . 137 LYS CA . 17403 1
1891 . 1 1 142 142 LYS CB C 13 33.779 0.028 . 1 . 1508 . . 137 LYS CB . 17403 1
1892 . 1 1 142 142 LYS CG C 13 24.712 0.03 . 1 . 1511 . . 137 LYS CG . 17403 1
1893 . 1 1 142 142 LYS CD C 13 29.119 0.046 . 1 . 1512 . . 137 LYS CD . 17403 1
1894 . 1 1 142 142 LYS CE C 13 42.072 0.074 . 1 . 1515 . . 137 LYS CE . 17403 1
1895 . 1 1 142 142 LYS N N 15 125.808 0.018 . 1 . 262 . . 137 LYS N . 17403 1
stop_
save_