data_6748
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR assignments of the Ki67FHA/hNIFK(226-269)3P complex
;
_BMRB_accession_number 6748
_BMRB_flat_file_name bmr6748.str
_Entry_type original
_Submission_date 2005-07-25
_Accession_date 2005-07-25
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Byeon In-Ja L. .
2 Gronenborn Angela M. .
3 Li Hongyuan . .
4 Tsai Ming-Daw . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 2
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 889
"13C chemical shifts" 520
"15N chemical shifts" 168
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2007-01-29 original author .
stop_
_Original_release_date 2007-01-29
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Sequential phosphorylation and multisite interactions characterize specific
target recognition by the FHA domain of Ki67.
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Byeon In-Ja L. .
2 Li Hongyuan . .
3 Song Haiyan . .
4 Gronenborn Angela M. .
5 Tsai Ming-Daw . .
stop_
_Journal_abbreviation 'Nat. Struct. Mol. Biol.'
_Journal_volume 12
_Journal_issue 11
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 987
_Page_last 993
_Year 2005
_Details .
loop_
_Keyword
hNIFK
Ki67
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'The Ki67FHA/hNIFK(226-269)3P complex'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
Ki67FHA $The_FHA_domain_of_human_Ki67
hNIFK $triply_phosphorylated_hNIFK(226-269)
stop_
_System_molecular_weight 22000
_System_physical_state native
_System_oligomer_state 'protein-protein complex'
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details 'Interaction between Ki67FHA and hNIFK(226-269)3P'
save_
########################
# Monomeric polymers #
########################
save_The_FHA_domain_of_human_Ki67
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Ki67FHA
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 120
_Mol_residue_sequence
;
MWPTRRLVTIKRSGVDGPHF
PLSLSTCLFGRGIECDIRIQ
LPVVSKQHCKIEIHEQEAIL
HNFSSTNPTQVNGSVIDEPV
RLKHGDVITIIDRSFRYENE
SLQNGRKSTEFPRKIREQEP
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 TRP 3 PRO 4 THR 5 ARG
6 ARG 7 LEU 8 VAL 9 THR 10 ILE
11 LYS 12 ARG 13 SER 14 GLY 15 VAL
16 ASP 17 GLY 18 PRO 19 HIS 20 PHE
21 PRO 22 LEU 23 SER 24 LEU 25 SER
26 THR 27 CYS 28 LEU 29 PHE 30 GLY
31 ARG 32 GLY 33 ILE 34 GLU 35 CYS
36 ASP 37 ILE 38 ARG 39 ILE 40 GLN
41 LEU 42 PRO 43 VAL 44 VAL 45 SER
46 LYS 47 GLN 48 HIS 49 CYS 50 LYS
51 ILE 52 GLU 53 ILE 54 HIS 55 GLU
56 GLN 57 GLU 58 ALA 59 ILE 60 LEU
61 HIS 62 ASN 63 PHE 64 SER 65 SER
66 THR 67 ASN 68 PRO 69 THR 70 GLN
71 VAL 72 ASN 73 GLY 74 SER 75 VAL
76 ILE 77 ASP 78 GLU 79 PRO 80 VAL
81 ARG 82 LEU 83 LYS 84 HIS 85 GLY
86 ASP 87 VAL 88 ILE 89 THR 90 ILE
91 ILE 92 ASP 93 ARG 94 SER 95 PHE
96 ARG 97 TYR 98 GLU 99 ASN 100 GLU
101 SER 102 LEU 103 GLN 104 ASN 105 GLY
106 ARG 107 LYS 108 SER 109 THR 110 GLU
111 PHE 112 PRO 113 ARG 114 LYS 115 ILE
116 ARG 117 GLU 118 GLN 119 GLU 120 PRO
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
DBJ BAB41210 "nucleolar phosphoprotein Nopp34 [Homo sapiens]" 100.00 293 100.00 100.00 1.53e-21
DBJ BAF84592 "unnamed protein product [Homo sapiens]" 100.00 293 100.00 100.00 1.53e-21
DBJ BAI47080 "MKI67 (FHA domain) interacting nucleolar phosphoprotein [synthetic construct]" 100.00 293 100.00 100.00 1.53e-21
GB AAH12457 "Similar to nucleolar protein interacting with the FHA domain of pKi-67, partial [Homo sapiens]" 100.00 227 100.00 100.00 8.27e-22
GB AAH22990 "MKI67 (FHA domain) interacting nucleolar phosphoprotein [Homo sapiens]" 100.00 293 100.00 100.00 1.53e-21
GB AAH24238 "MKI67 (FHA domain) interacting nucleolar phosphoprotein [Homo sapiens]" 100.00 293 100.00 100.00 1.44e-21
GB AAY14830 "unknown [Homo sapiens]" 100.00 293 100.00 100.00 1.53e-21
GB ABM82604 "MKI67 (FHA domain) interacting nucleolar phosphoprotein [synthetic construct]" 100.00 293 100.00 100.00 1.37e-21
REF NP_115766 "MKI67 FHA domain-interacting nucleolar phosphoprotein [Homo sapiens]" 100.00 293 100.00 100.00 1.53e-21
REF XP_003818352 "PREDICTED: MKI67 FHA domain-interacting nucleolar phosphoprotein [Pan paniscus]" 100.00 293 97.73 100.00 3.61e-21
REF XP_004031768 "PREDICTED: MKI67 FHA domain-interacting nucleolar phosphoprotein [Gorilla gorilla gorilla]" 100.00 293 100.00 100.00 1.43e-21
REF XP_009242042 "PREDICTED: LOW QUALITY PROTEIN: MKI67 FHA domain-interacting nucleolar phosphoprotein-like [Pongo abelii]" 100.00 292 97.73 100.00 4.75e-21
REF XP_515769 "PREDICTED: MKI67 FHA domain-interacting nucleolar phosphoprotein [Pan troglodytes]" 100.00 293 97.73 100.00 3.72e-21
SP Q9BYG3 "RecName: Full=MKI67 FHA domain-interacting nucleolar phosphoprotein; AltName: Full=Nucleolar phosphoprotein Nopp34; AltName: Fu" 100.00 293 100.00 100.00 1.53e-21
stop_
save_
save_triply_phosphorylated_hNIFK(226-269)
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common hNIFK
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
_Residue_count 120
_Mol_residue_sequence
;
KTVDSQGPTPVCTPTFLERR
KSQVAELNDDDKDDEIVFKQ
PISC
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 226 LYS 2 227 THR 3 228 VAL 4 229 ASP 5 230 SER
6 231 GLN 7 232 GLY 8 233 PRO 9 234 THR 10 235 PRO
11 236 VAL 12 237 CYS 13 238 THR 14 239 PRO 15 240 THR
16 241 PHE 17 242 LEU 18 243 GLU 19 244 ARG 20 245 ARG
21 246 LYS 22 247 SER 23 248 GLN 24 249 VAL 25 250 ALA
26 251 GLU 27 252 LEU 28 253 ASN 29 254 ASP 30 255 ASP
31 256 ASP 32 257 LYS 33 258 ASP 34 259 ASP 35 260 GLU
36 261 ILE 37 262 VAL 38 263 PHE 39 264 LYS 40 265 GLN
41 266 PRO 42 267 ILE 43 268 SER 44 269 CYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$The_FHA_domain_of_human_Ki67 Human 9606 Eukaryota Metazoa . .
$triply_phosphorylated_hNIFK(226-269) . . . . . .
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$The_FHA_domain_of_human_Ki67 'recombinant technology' . . . . .
$triply_phosphorylated_hNIFK(226-269) 'recombinant technology' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$The_FHA_domain_of_human_Ki67 1 mM '[U-13C; U-15N]'
$triply_phosphorylated_hNIFK(226-269) 1 mM .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$The_FHA_domain_of_human_Ki67 1 mM .
$triply_phosphorylated_hNIFK(226-269) 1 mM '[U-13C; U-15N]'
stop_
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 7.4 0.1 pH
temperature 290 0 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.0 external indirect . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
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_chem_shift_list_1_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_referencing
_Mol_system_component_name Ki67FHA
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 1 MET H H 8.0300 0.0015 .
2 1 1 MET HA H 4.39 0.0015 .
3 1 1 MET HB2 H 1.82 0.0015 .
4 1 1 MET HB3 H 1.79 0.0015 .
5 1 1 MET HG2 H 2.39 0.0015 .
6 1 1 MET HG3 H 2.31 0.0015 .
7 1 1 MET CA C 55.0600 0.15 .
8 1 1 MET CB C 32.7 0.15 .
9 1 1 MET CG C 31.2 0.15 .
10 1 1 MET N N 119.2300 0.15 .
11 2 2 TRP H H 8.2800 0.0015 .
12 2 2 TRP HA H 4.8000 0.0015 .
13 2 2 TRP HB2 H 3.2200 0.0015 .
14 2 2 TRP HB3 H 3.0600 0.0015 .
15 2 2 TRP HD1 H 7.1600 0.0015 .
16 2 2 TRP HE1 H 10.1480 0.0015 .
17 2 2 TRP HE3 H 7.5240 0.0015 .
18 2 2 TRP HZ2 H 7.4160 0.0015 .
19 2 2 TRP HZ3 H 7.1530 0.0015 .
20 2 2 TRP HH2 H 7.1580 0.0015 .
21 2 2 TRP CA C 54.9800 0.15 .
22 2 2 TRP CB C 28.6600 0.15 .
23 2 2 TRP CD1 C 126.5300 0.15 .
24 2 2 TRP CE3 C 120.5900 0.15 .
25 2 2 TRP CZ2 C 114.1000 0.15 .
26 2 2 TRP CZ3 C 124.0000 0.15 .
27 2 2 TRP N N 122.9000 0.15 .
28 2 2 TRP NE1 N 128.9600 0.15 .
29 3 3 PRO HA H 4.4900 0.0015 .
30 3 3 PRO HB2 H 1.86 0.0015 .
31 3 3 PRO HB3 H 2.16 0.0015 .
32 3 3 PRO HD2 H 3.58 0.0015 .
33 3 3 PRO HD3 H 3.31 0.0015 .
34 3 3 PRO CA C 62.6000 0.15 .
35 3 3 PRO CB C 31.8 0.15 .
36 3 3 PRO CD C 50.4 0.15 .
37 4 4 THR H H 8.3500 0.0015 .
38 4 4 THR HA H 4.1900 0.0015 .
39 4 4 THR HB H 4.2200 0.0015 .
40 4 4 THR HG2 H 1.1910 0.0015 .
41 4 4 THR CA C 62.4000 0.15 .
42 4 4 THR CB C 69.1000 0.15 .
43 4 4 THR CG2 C 21.7500 0.15 .
44 4 4 THR N N 114.6400 0.15 .
45 5 5 ARG H H 7.9100 0.0015 .
46 5 5 ARG HA H 5.1400 0.0015 .
47 5 5 ARG HB2 H 1.85 0.0015 .
48 5 5 ARG HD2 H 3.3460 0.0015 .
49 5 5 ARG HD3 H 3.2540 0.0015 .
50 5 5 ARG CA C 54.4000 0.15 .
51 5 5 ARG CB C 32.7 0.15 .
52 5 5 ARG CD C 43.5500 0.15 .
53 5 5 ARG N N 121.9500 0.15 .
54 6 6 ARG H H 9.1480 0.0015 .
55 6 6 ARG HA H 5.1300 0.0015 .
56 6 6 ARG CA C 54.6900 0.15 .
57 6 6 ARG CB C 33.5 0.15 .
58 6 6 ARG N N 120.0700 0.15 .
59 7 7 LEU H H 8.8100 0.0015 .
60 7 7 LEU HA H 5.4170 0.0015 .
61 7 7 LEU HB2 H 1.9550 0.0015 .
62 7 7 LEU HB3 H 1.410 0.0015 .
63 7 7 LEU HG H 1.84 0.0015 .
64 7 7 LEU HD1 H 0.8400 0.0015 .
65 7 7 LEU HD2 H 1.0400 0.0015 .
66 7 7 LEU CA C 52.3000 0.15 .
67 7 7 LEU CB C 45.2000 0.15 .
68 7 7 LEU CG C 26.5 0.15 .
69 7 7 LEU CD1 C 27.7600 0.15 .
70 7 7 LEU CD2 C 23.7000 0.15 .
71 7 7 LEU N N 116.6200 0.15 .
72 8 8 VAL H H 9.6800 0.0015 .
73 8 8 VAL HA H 4.0630 0.0015 .
74 8 8 VAL HB H 1.8520 0.0015 .
75 8 8 VAL HG1 H 0.8340 0.0015 .
76 8 8 VAL HG2 H 0.3130 0.0015 .
77 8 8 VAL CA C 62.2000 0.15 .
78 8 8 VAL CB C 33.1700 0.15 .
79 8 8 VAL CG1 C 19.4000 0.15 .
80 8 8 VAL CG2 C 19.1000 0.15 .
81 8 8 VAL N N 123.6100 0.15 .
82 9 9 THR H H 8.3440 0.0015 .
83 9 9 THR HA H 3.9100 0.0015 .
84 9 9 THR HB H 4.09 0.0015 .
85 9 9 THR HG1 H 4.77 0.0015 .
86 9 9 THR HG2 H 1.1450 0.0015 .
87 9 9 THR CA C 64.5000 0.15 .
88 9 9 THR CB C 69.200 0.15 .
89 9 9 THR CG2 C 20.8000 0.15 .
90 9 9 THR N N 124.1100 0.15 .
91 10 10 ILE H H 8.1090 0.0015 .
92 10 10 ILE HA H 4.2500 0.0015 .
93 10 10 ILE HB H 1.6340 0.0015 .
94 10 10 ILE HG12 H 1.2190 0.0015 .
95 10 10 ILE HG13 H 1.1140 0.0015 .
96 10 10 ILE HG2 H 0.8750 0.0015 .
97 10 10 ILE HD1 H 0.6200 0.0015 .
98 10 10 ILE CA C 59.1000 0.15 .
99 10 10 ILE CB C 35.5300 0.15 .
100 10 10 ILE CG1 C 26.3000 0.15 .
101 10 10 ILE CG2 C 16.1500 0.15 .
102 10 10 ILE CD1 C 10.7000 0.15 .
103 10 10 ILE N N 126.3100 0.15 .
104 11 11 LYS H H 9.2160 0.0015 .
105 11 11 LYS HA H 4.0840 0.0015 .
106 11 11 LYS HB2 H 2.1930 0.0015 .
107 11 11 LYS HB3 H 1.7790 0.0015 .
108 11 11 LYS HG2 H 1.4550 0.0015 .
109 11 11 LYS HG3 H 1.3900 0.0015 .
110 11 11 LYS HD2 H 1.6550 0.0015 .
111 11 11 LYS HD3 H 1.6550 0.0015 .
112 11 11 LYS HE2 H 3.0500 0.0015 .
113 11 11 LYS HE3 H 3.0500 0.0015 .
114 11 11 LYS CA C 57.7200 0.15 .
115 11 11 LYS CB C 32.3000 0.15 .
116 11 11 LYS CG C 26.1000 0.15 .
117 11 11 LYS CD C 29.0000 0.15 .
118 11 11 LYS CE C 41.8000 0.15 .
119 11 11 LYS N N 128.3900 0.15 .
120 12 12 ARG H H 9.7790 0.0015 .
121 12 12 ARG HA H 3.9380 0.0015 .
122 12 12 ARG HB2 H 1.6400 0.0015 .
123 12 12 ARG HB3 H 1.6400 0.0015 .
124 12 12 ARG HD2 H 3.3840 0.0015 .
125 12 12 ARG HD3 H 3.0630 0.0015 .
126 12 12 ARG HE H 7.6970 0.0015 .
127 12 12 ARG HH11 H 6.99 0.0015 .
128 12 12 ARG HH12 H 6.99 0.0015 .
129 12 12 ARG HH21 H 6.44 0.0015 .
130 12 12 ARG HH22 H 6.44 0.0015 .
131 12 12 ARG CA C 59.7000 0.15 .
132 12 12 ARG CB C 29.1000 0.15 .
133 12 12 ARG CD C 43.4000 0.15 .
134 12 12 ARG N N 122.7800 0.15 .
135 12 12 ARG NE N 83.4000 0.15 .
136 13 13 SER H H 7.8500 0.0015 .
137 13 13 SER HA H 4.1400 0.0015 .
138 13 13 SER HB2 H 3.81 0.0015 .
139 13 13 SER CA C 58.3000 0.15 .
140 13 13 SER CB C 63.3 0.15 .
141 13 13 SER N N 108.5600 0.15 .
142 14 14 GLY H H 8.1230 0.0015 .
143 14 14 GLY HA2 H 3.4350 0.0015 .
144 14 14 GLY HA3 H 4.4020 0.0015 .
145 14 14 GLY CA C 44.6000 0.15 .
146 14 14 GLY N N 109.4400 0.15 .
147 15 15 VAL H H 6.7500 0.0015 .
148 15 15 VAL HA H 4.3400 0.0015 .
149 15 15 VAL HB H 2.1600 0.0015 .
150 15 15 VAL HG1 H 0.9500 0.0015 .
151 15 15 VAL HG2 H 0.8240 0.0015 .
152 15 15 VAL CA C 60.1200 0.15 .
153 15 15 VAL CB C 32.7000 0.15 .
154 15 15 VAL CG1 C 20.7500 0.15 .
155 15 15 VAL CG2 C 19.1600 0.15 .
156 15 15 VAL N N 114.9400 0.15 .
157 16 16 ASP H H 8.6750 0.0015 .
158 16 16 ASP HA H 4.4500 0.0015 .
159 16 16 ASP HB2 H 2.75 0.0015 .
160 16 16 ASP HB3 H 2.65 0.0015 .
161 16 16 ASP CA C 56.2400 0.15 .
162 16 16 ASP CB C 40.5 0.15 .
163 16 16 ASP N N 122.9870 0.15 .
164 17 17 GLY H H 9.0400 0.0015 .
165 17 17 GLY HA2 H 4.4760 0.0015 .
166 17 17 GLY HA3 H 3.5570 0.0015 .
167 17 17 GLY CA C 43.0000 0.15 .
168 17 17 GLY N N 112.2400 0.15 .
169 18 18 PRO HA H 4.4900 0.0015 .
170 18 18 PRO HB2 H 2.4500 0.0015 .
171 18 18 PRO HB3 H 1.9400 0.0015 .
172 18 18 PRO HG2 H 2.1600 0.0015 .
173 18 18 PRO HG3 H 2.1000 0.0015 .
174 18 18 PRO HD2 H 3.6400 0.0015 .
175 18 18 PRO HD3 H 3.6400 0.0015 .
176 18 18 PRO CA C 63.1000 0.15 .
177 18 18 PRO CB C 32.8000 0.15 .
178 18 18 PRO CG C 27.3000 0.15 .
179 18 18 PRO CD C 50.3600 0.15 .
180 19 19 HIS H H 8.9750 0.0015 .
181 19 19 HIS HA H 5.5700 0.0015 .
182 19 19 HIS HB2 H 3.1300 0.0015 .
183 19 19 HIS HB3 H 2.8300 0.0015 .
184 19 19 HIS HD2 H 7.1920 0.0015 .
185 19 19 HIS HE1 H 7.3610 0.0015 .
186 19 19 HIS CA C 54.2100 0.15 .
187 19 19 HIS CB C 33.5500 0.15 .
188 19 19 HIS CD2 C 116.5500 0.15 .
189 19 19 HIS N N 122.3300 0.15 .
190 20 20 PHE H H 9.6700 0.0015 .
191 20 20 PHE HA H 4.8100 0.0015 .
192 20 20 PHE HB2 H 2.8990 0.0015 .
193 20 20 PHE HB3 H 2.2100 0.0015 .
194 20 20 PHE HD1 H 6.4340 0.0015 .
195 20 20 PHE HD2 H 6.4340 0.0015 .
196 20 20 PHE HE1 H 7.1800 0.0015 .
197 20 20 PHE HE2 H 7.1800 0.0015 .
198 20 20 PHE HZ H 7.2380 0.0015 .
199 20 20 PHE CA C 54.3000 0.15 .
200 20 20 PHE CB C 41.4000 0.15 .
201 20 20 PHE CD1 C 131.0600 0.15 .
202 20 20 PHE CD2 C 131.0600 0.15 .
203 20 20 PHE CE1 C 130.2000 0.15 .
204 20 20 PHE CE2 C 130.2000 0.15 .
205 20 20 PHE CZ C 130.7000 0.15 .
206 20 20 PHE N N 123.5500 0.15 .
207 21 21 PRO HA H 4.28 0.0015 .
208 21 21 PRO HB2 H 2.02 0.0015 .
209 21 21 PRO HB3 H 1.75 0.0015 .
210 21 21 PRO HG2 H 1.78 0.0015 .
211 21 21 PRO HG3 H 1.93 0.0015 .
212 21 21 PRO HD2 H 3.535 0.0015 .
213 21 21 PRO HD3 H 3.019 0.0015 .
214 21 21 PRO CA C 62.2600 0.15 .
215 21 21 PRO CB C 31.2 0.15 .
216 21 21 PRO CG C 26.7 0.15 .
217 21 21 PRO CD C 50.15 0.15 .
218 22 22 LEU H H 8.1170 0.0015 .
219 22 22 LEU HA H 4.8370 0.0015 .
220 22 22 LEU HB2 H 1.5060 0.0015 .
221 22 22 LEU HB3 H 1.5060 0.0015 .
222 22 22 LEU HG H 1.7430 0.0015 .
223 22 22 LEU HD1 H 0.9900 0.0015 .
224 22 22 LEU HD2 H 0.9940 0.0015 .
225 22 22 LEU CA C 52.3800 0.15 .
226 22 22 LEU CB C 40.3000 0.15 .
227 22 22 LEU CG C 26.6000 0.15 .
228 22 22 LEU CD1 C 26.3000 0.15 .
229 22 22 LEU CD2 C 23.6000 0.15 .
230 22 22 LEU N N 124.9800 0.15 .
231 23 23 SER H H 7.8210 0.0015 .
232 23 23 SER HA H 4.4200 0.0015 .
233 23 23 SER HB2 H 3.8200 0.0015 .
234 23 23 SER HB3 H 3.7000 0.0015 .
235 23 23 SER CA C 57.9000 0.15 .
236 23 23 SER CB C 63.5000 0.15 .
237 23 23 SER N N 116.7800 0.15 .
238 24 24 LEU H H 7.9900 0.0015 .
239 24 24 LEU HA H 4.6700 0.0015 .
240 24 24 LEU HB2 H 1.8890 0.0015 .
241 24 24 LEU HB3 H 1.8400 0.0015 .
242 24 24 LEU HG H 1.6900 0.0015 .
243 24 24 LEU HD1 H 1.0000 0.0015 .
244 24 24 LEU HD2 H 0.9250 0.0015 .
245 24 24 LEU CA C 53.7000 0.15 .
246 24 24 LEU CB C 42.6000 0.15 .
247 24 24 LEU CG C 27.0700 0.15 .
248 24 24 LEU CD1 C 25.3500 0.15 .
249 24 24 LEU CD2 C 22.8000 0.15 .
250 24 24 LEU N N 121.3100 0.15 .
251 25 25 SER H H 8.4300 0.0015 .
252 25 25 SER HA H 4.3700 0.0015 .
253 25 25 SER HB2 H 4.0800 0.0015 .
254 25 25 SER HB3 H 4.0150 0.0015 .
255 25 25 SER CA C 59.9000 0.15 .
256 25 25 SER CB C 63.4400 0.15 .
257 25 25 SER N N 112.8700 0.15 .
258 26 26 THR H H 7.4080 0.0015 .
259 26 26 THR HA H 5.2710 0.0015 .
260 26 26 THR HB H 3.9160 0.0015 .
261 26 26 THR HG2 H 1.2030 0.0015 .
262 26 26 THR CA C 60.3800 0.15 .
263 26 26 THR CB C 71.9600 0.15 .
264 26 26 THR CG2 C 22.3000 0.15 .
265 26 26 THR N N 111.4800 0.15 .
266 27 27 CYS H H 8.8400 0.0015 .
267 27 27 CYS HA H 4.5870 0.0015 .
268 27 27 CYS HB2 H 2.5700 0.0015 .
269 27 27 CYS HB3 H 2.4800 0.0015 .
270 27 27 CYS HG H 0.6300 0.0015 .
271 27 27 CYS CA C 58.1100 0.15 .
272 27 27 CYS CB C 28.1000 0.15 .
273 27 27 CYS N N 123.3700 0.15 .
274 28 28 LEU H H 10.4930 0.0015 .
275 28 28 LEU HA H 5.0300 0.0015 .
276 28 28 LEU HB2 H 1.9470 0.0015 .
277 28 28 LEU HB3 H 1.6060 0.0015 .
278 28 28 LEU HG H 1.7100 0.0015 .
279 28 28 LEU HD1 H 0.9100 0.0015 .
280 28 28 LEU HD2 H 1.1300 0.0015 .
281 28 28 LEU CA C 54.5900 0.15 .
282 28 28 LEU CB C 45.2000 0.15 .
283 28 28 LEU CG C 27.4000 0.15 .
284 28 28 LEU CD1 C 26.3300 0.15 .
285 28 28 LEU CD2 C 23.3000 0.15 .
286 28 28 LEU N N 133.6000 0.15 .
287 29 29 PHE H H 9.4070 0.0015 .
288 29 29 PHE HA H 6.0200 0.0015 .
289 29 29 PHE HB2 H 3.5700 0.0015 .
290 29 29 PHE HB3 H 2.4570 0.0015 .
291 29 29 PHE HD1 H 6.7860 0.0015 .
292 29 29 PHE HD2 H 6.7860 0.0015 .
293 29 29 PHE HE1 H 6.1080 0.0015 .
294 29 29 PHE HE2 H 6.1080 0.0015 .
295 29 29 PHE HZ H 6.6430 0.0015 .
296 29 29 PHE CA C 54.6000 0.15 .
297 29 29 PHE CB C 42.4800 0.15 .
298 29 29 PHE CD1 C 132.0600 0.15 .
299 29 29 PHE CD2 C 132.0600 0.15 .
300 29 29 PHE CE1 C 129.0600 0.15 .
301 29 29 PHE CE2 C 129.0600 0.15 .
302 29 29 PHE CZ C 128.4000 0.15 .
303 29 29 PHE N N 123.6500 0.15 .
304 30 30 GLY H H 8.6490 0.0015 .
305 30 30 GLY HA2 H 4.0490 0.0015 .
306 30 30 GLY HA3 H 4.8700 0.0015 .
307 30 30 GLY CA C 47.4400 0.15 .
308 30 30 GLY N N 108.5500 0.15 .
309 31 31 ARG H H 8.8110 0.0015 .
310 31 31 ARG HA H 4.42 0.0015 .
311 31 31 ARG HB2 H 1.69 0.0015 .
312 31 31 ARG HB3 H 1.95 0.0015 .
313 31 31 ARG HD2 H 3.1300 0.0015 .
314 31 31 ARG HD3 H 3.70 0.0015 .
315 31 31 ARG HE H 7.44 0.0015 .
316 31 31 ARG HH11 H 6.31 0.0015 .
317 31 31 ARG HH21 H 7.22 0.0015 .
318 31 31 ARG CA C 55.7 0.15 .
319 31 31 ARG CB C 31.2 0.15 .
320 31 31 ARG CD C 43.3 0.15 .
321 31 31 ARG N N 119.6800 0.15 .
322 31 31 ARG NE N 85.2 0.15 .
323 32 32 GLY H H 9.2370 0.0015 .
324 32 32 GLY HA2 H 4.2520 0.0015 .
325 32 32 GLY HA3 H 3.9310 0.0015 .
326 32 32 GLY CA C 45.0000 0.15 .
327 32 32 GLY N N 112.4200 0.15 .
328 33 33 ILE H H 8.5780 0.0015 .
329 33 33 ILE HA H 3.8400 0.0015 .
330 33 33 ILE HB H 1.9200 0.0015 .
331 33 33 ILE HG12 H 1.4600 0.0015 .
332 33 33 ILE HG13 H 1.3500 0.0015 .
333 33 33 ILE HG2 H 0.9790 0.0015 .
334 33 33 ILE HD1 H 0.9000 0.0015 .
335 33 33 ILE CA C 63.0000 0.15 .
336 33 33 ILE CB C 38.5000 0.15 .
337 33 33 ILE CG1 C 28.1000 0.15 .
338 33 33 ILE CG2 C 17.4800 0.15 .
339 33 33 ILE CD1 C 13.7000 0.15 .
340 33 33 ILE N N 120.4600 0.15 .
341 34 34 GLU H H 10.2200 0.0015 .
342 34 34 GLU HA H 4.2740 0.0015 .
343 34 34 GLU HB2 H 1.9800 0.0015 .
344 34 34 GLU HB3 H 2.0200 0.0015 .
345 34 34 GLU HG2 H 2.2490 0.0015 .
346 34 34 GLU HG3 H 2.1640 0.0015 .
347 34 34 GLU CA C 56.6400 0.15 .
348 34 34 GLU CB C 28.4000 0.15 .
349 34 34 GLU CG C 35.2000 0.15 .
350 34 34 GLU N N 121.5500 0.15 .
351 35 35 CYS H H 7.5500 0.0015 .
352 35 35 CYS HA H 3.6970 0.0015 .
353 35 35 CYS HB2 H 2.7600 0.0015 .
354 35 35 CYS HB3 H 2.5620 0.0015 .
355 35 35 CYS HG H 2.4550 0.0015 .
356 35 35 CYS CA C 61.4000 0.15 .
357 35 35 CYS CB C 27.3000 0.15 .
358 35 35 CYS N N 120.4900 0.15 .
359 36 36 ASP H H 8.0100 0.0015 .
360 36 36 ASP HA H 4.3630 0.0015 .
361 36 36 ASP HB2 H 2.6870 0.0015 .
362 36 36 ASP HB3 H 2.6420 0.0015 .
363 36 36 ASP CA C 57.7000 0.15 .
364 36 36 ASP CB C 42.7600 0.15 .
365 36 36 ASP N N 123.0900 0.15 .
366 37 37 ILE H H 7.5200 0.0015 .
367 37 37 ILE HA H 3.9360 0.0015 .
368 37 37 ILE HB H 0.7100 0.0015 .
369 37 37 ILE HG12 H 0.0180 0.0015 .
370 37 37 ILE HG13 H -0.0190 0.0015 .
371 37 37 ILE HG2 H 0.4130 0.0015 .
372 37 37 ILE HD1 H -0.7080 0.0015 .
373 37 37 ILE CA C 61.0000 0.15 .
374 37 37 ILE CB C 37.9000 0.15 .
375 37 37 ILE CG1 C 26.4000 0.15 .
376 37 37 ILE CG2 C 17.0400 0.15 .
377 37 37 ILE CD1 C 12.5200 0.15 .
378 37 37 ILE N N 115.4900 0.15 .
379 38 38 ARG H H 8.7900 0.0015 .
380 38 38 ARG HA H 5.5980 0.0015 .
381 38 38 ARG HB2 H 1.8200 0.0015 .
382 38 38 ARG HB3 H 1.5300 0.0015 .
383 38 38 ARG HG2 H 1.2300 0.0015 .
384 38 38 ARG HG3 H 1.5800 0.0015 .
385 38 38 ARG HD2 H 3.1100 0.0015 .
386 38 38 ARG HD3 H 2.9900 0.0015 .
387 38 38 ARG HE H 6.7150 0.0015 .
388 38 38 ARG CA C 53.0000 0.15 .
389 38 38 ARG CB C 32.1000 0.15 .
390 38 38 ARG CG C 27.4000 0.15 .
391 38 38 ARG CD C 44.3800 0.15 .
392 38 38 ARG N N 127.7400 0.15 .
393 38 38 ARG NE N 83.4000 0.15 .
394 39 39 ILE H H 8.0000 0.0015 .
395 39 39 ILE HA H 4.8200 0.0015 .
396 39 39 ILE HB H 1.81 0.0015 .
397 39 39 ILE HG12 H 1.7480 0.0015 .
398 39 39 ILE HG13 H 1.06 0.0015 .
399 39 39 ILE HG2 H 0.7700 0.0015 .
400 39 39 ILE HD1 H 1.0810 0.0015 .
401 39 39 ILE CA C 59.7000 0.15 .
402 39 39 ILE CB C 39.0 0.15 .
403 39 39 ILE CG1 C 27.4000 0.15 .
404 39 39 ILE CG2 C 18.4000 0.15 .
405 39 39 ILE CD1 C 16.1000 0.15 .
406 39 39 ILE N N 124.8300 0.15 .
407 40 40 GLN H H 9.1900 0.0015 .
408 40 40 GLN HA H 4.4300 0.0015 .
409 40 40 GLN HB2 H 2.1050 0.0015 .
410 40 40 GLN HB3 H 2.0700 0.0015 .
411 40 40 GLN HG2 H 2.3400 0.0015 .
412 40 40 GLN HG3 H 1.9700 0.0015 .
413 40 40 GLN HE21 H 6.8900 0.0015 .
414 40 40 GLN HE22 H 7.1300 0.0015 .
415 40 40 GLN CA C 55.2700 0.15 .
416 40 40 GLN CB C 28.1000 0.15 .
417 40 40 GLN CG C 34.8000 0.15 .
418 40 40 GLN N N 124.8200 0.15 .
419 40 40 GLN NE2 N 110.5500 0.15 .
420 41 41 LEU H H 7.8760 0.0015 .
421 41 41 LEU HA H 5.0800 0.0015 .
422 41 41 LEU HB2 H 1.6300 0.0015 .
423 41 41 LEU HB3 H 1.2600 0.0015 .
424 41 41 LEU HG H 1.510 0.0015 .
425 41 41 LEU HD1 H 1.1080 0.0015 .
426 41 41 LEU HD2 H 0.8300 0.0015 .
427 41 41 LEU CA C 51.0400 0.15 .
428 41 41 LEU CB C 46.4000 0.15 .
429 41 41 LEU CG C 27.0 0.15 .
430 41 41 LEU CD1 C 23.4000 0.15 .
431 41 41 LEU CD2 C 24.5000 0.15 .
432 41 41 LEU N N 120.5100 0.15 .
433 42 42 PRO HA H 4.2030 0.0015 .
434 42 42 PRO HB2 H 2.4070 0.0015 .
435 42 42 PRO HB3 H 1.8710 0.0015 .
436 42 42 PRO HG2 H 2.1900 0.0015 .
437 42 42 PRO HG3 H 2.0050 0.0015 .
438 42 42 PRO HD2 H 3.9420 0.0015 .
439 42 42 PRO HD3 H 3.7770 0.0015 .
440 42 42 PRO CA C 64.5200 0.15 .
441 42 42 PRO CB C 32.2000 0.15 .
442 42 42 PRO CG C 27.4500 0.15 .
443 42 42 PRO CD C 50.5300 0.15 .
444 43 43 VAL H H 5.7190 0.0015 .
445 43 43 VAL HA H 4.0440 0.0015 .
446 43 43 VAL HB H 2.24 0.0015 .
447 43 43 VAL HG1 H 0.4500 0.0015 .
448 43 43 VAL HG2 H 0.4670 0.0015 .
449 43 43 VAL CA C 59.8000 0.15 .
450 43 43 VAL CB C 31.000 0.15 .
451 43 43 VAL CG1 C 20.9900 0.15 .
452 43 43 VAL CG2 C 19.9300 0.15 .
453 43 43 VAL N N 97.9500 0.15 .
454 44 44 VAL H H 7.2100 0.0015 .
455 44 44 VAL HA H 4.0200 0.0015 .
456 44 44 VAL HB H 2.29 0.0015 .
457 44 44 VAL HG1 H 0.8210 0.0015 .
458 44 44 VAL HG2 H 1.2780 0.0015 .
459 44 44 VAL CA C 61.8000 0.15 .
460 44 44 VAL CB C 31.7 0.15 .
461 44 44 VAL CG1 C 24.7000 0.15 .
462 44 44 VAL CG2 C 21.2600 0.15 .
463 44 44 VAL N N 122.8600 0.15 .
464 45 45 SER H H 11.3720 0.0015 .
465 45 45 SER HA H 4.6900 0.0015 .
466 45 45 SER HB2 H 4.0200 0.0015 .
467 45 45 SER HB3 H 3.6200 0.0015 .
468 45 45 SER CA C 61.6000 0.15 .
469 45 45 SER CB C 64.0600 0.15 .
470 45 45 SER N N 128.4000 0.15 .
471 46 46 LYS H H 9.8950 0.0015 .
472 46 46 LYS HA H 3.7200 0.0015 .
473 46 46 LYS HG2 H 1.4400 0.0015 .
474 46 46 LYS HG3 H 1.4400 0.0015 .
475 46 46 LYS HE2 H 2.9750 0.0015 .
476 46 46 LYS HE3 H 2.9750 0.0015 .
477 46 46 LYS CA C 61.7600 0.15 .
478 46 46 LYS CG C 24.6000 0.15 .
479 46 46 LYS N N 127.0200 0.15 .
480 47 47 GLN H H 7.7950 0.0015 .
481 47 47 GLN HA H 4.4140 0.0015 .
482 47 47 GLN HB2 H 1.9000 0.0015 .
483 47 47 GLN HB3 H 1.8570 0.0015 .
484 47 47 GLN HG2 H 2.3500 0.0015 .
485 47 47 GLN HG3 H 2.1800 0.0015 .
486 47 47 GLN HE21 H 8.0920 0.0015 .
487 47 47 GLN HE22 H 6.5280 0.0015 .
488 47 47 GLN CA C 56.3000 0.15 .
489 47 47 GLN CB C 29.4000 0.15 .
490 47 47 GLN CG C 33.1400 0.15 .
491 47 47 GLN N N 111.8000 0.15 .
492 47 47 GLN NE2 N 110.9800 0.15 .
493 48 48 HIS H H 10.0300 0.0015 .
494 48 48 HIS HA H 4.3900 0.0015 .
495 48 48 HIS HB2 H 3.2900 0.0015 .
496 48 48 HIS HB3 H 3.1500 0.0015 .
497 48 48 HIS HD2 H 7.2910 0.0015 .
498 48 48 HIS HE1 H 8.0250 0.0015 .
499 48 48 HIS HE2 H 10.4330 0.0015 .
500 48 48 HIS CA C 59.4000 0.15 .
501 48 48 HIS CB C 35.4000 0.15 .
502 48 48 HIS CD2 C 117.5600 0.15 .
503 48 48 HIS N N 125.5800 0.15 .
504 48 48 HIS NE2 N 163.0800 0.15 .
505 49 49 CYS H H 8.4340 0.0015 .
506 49 49 CYS HA H 4.6660 0.0015 .
507 49 49 CYS HB2 H 3.0600 0.0015 .
508 49 49 CYS HB3 H 3.4900 0.0015 .
509 49 49 CYS HG H 0.5900 0.0015 .
510 49 49 CYS CA C 56.1600 0.15 .
511 49 49 CYS CB C 29.8000 0.15 .
512 49 49 CYS N N 110.8700 0.15 .
513 50 50 LYS H H 8.8190 0.0015 .
514 50 50 LYS HA H 5.8590 0.0015 .
515 50 50 LYS HB2 H 1.73 0.0015 .
516 50 50 LYS HG2 H 1.1700 0.0015 .
517 50 50 LYS HG3 H 1.1700 0.0015 .
518 50 50 LYS HD2 H 1.7300 0.0015 .
519 50 50 LYS HD3 H 1.6700 0.0015 .
520 50 50 LYS HE2 H 2.6420 0.0015 .
521 50 50 LYS HE3 H 2.3990 0.0015 .
522 50 50 LYS CA C 54.4000 0.15 .
523 50 50 LYS CB C 38.0000 0.15 .
524 50 50 LYS CG C 24.7000 0.15 .
525 50 50 LYS CD C 29.8000 0.15 .
526 50 50 LYS CE C 41.6000 0.15 .
527 50 50 LYS N N 118.0500 0.15 .
528 51 51 ILE H H 9.3760 0.0015 .
529 51 51 ILE HA H 5.1100 0.0015 .
530 51 51 ILE HB H 1.5700 0.0015 .
531 51 51 ILE HG12 H 1.8890 0.0015 .
532 51 51 ILE HG13 H 0.81 0.0015 .
533 51 51 ILE HG2 H 0.7120 0.0015 .
534 51 51 ILE HD1 H 0.9470 0.0015 .
535 51 51 ILE CA C 59.8700 0.15 .
536 51 51 ILE CB C 41.1000 0.15 .
537 51 51 ILE CG1 C 29.6 0.15 .
538 51 51 ILE CG2 C 17.6400 0.15 .
539 51 51 ILE CD1 C 14.9000 0.15 .
540 51 51 ILE N N 123.4100 0.15 .
541 52 52 GLU H H 9.5000 0.0015 .
542 52 52 GLU HA H 5.0980 0.0015 .
543 52 52 GLU HB2 H 2.0800 0.0015 .
544 52 52 GLU HB3 H 1.9450 0.0015 .
545 52 52 GLU HG2 H 2.19 0.0015 .
546 52 52 GLU HG3 H 2.09 0.0015 .
547 52 52 GLU CA C 54.1500 0.15 .
548 52 52 GLU CB C 32.8000 0.15 .
549 52 52 GLU CG C 35.8000 0.15 .
550 52 52 GLU N N 127.0300 0.15 .
551 53 53 ILE H H 8.8560 0.0015 .
552 53 53 ILE HA H 4.8200 0.0015 .
553 53 53 ILE HB H 1.9350 0.0015 .
554 53 53 ILE HG12 H 1.1790 0.0015 .
555 53 53 ILE HG13 H 1.4330 0.0015 .
556 53 53 ILE HG2 H 0.7500 0.0015 .
557 53 53 ILE HD1 H 0.7500 0.0015 .
558 53 53 ILE CA C 59.5900 0.15 .
559 53 53 ILE CB C 36.8000 0.15 .
560 53 53 ILE CG1 C 27.5000 0.15 .
561 53 53 ILE CG2 C 17.5000 0.15 .
562 53 53 ILE CD1 C 12.2300 0.15 .
563 53 53 ILE N N 124.9900 0.15 .
564 54 54 HIS H H 8.8500 0.0015 .
565 54 54 HIS HA H 4.8300 0.0015 .
566 54 54 HIS HB2 H 3.1520 0.0015 .
567 54 54 HIS HB3 H 2.9700 0.0015 .
568 54 54 HIS HD2 H 6.9560 0.0015 .
569 54 54 HIS HE1 H 7.9420 0.0015 .
570 54 54 HIS CA C 54.8600 0.15 .
571 54 54 HIS CB C 32.2000 0.15 .
572 54 54 HIS CD2 C 118.8800 0.15 .
573 54 54 HIS N N 127.8300 0.15 .
574 55 55 GLU H H 9.19 0.0015 .
575 55 55 GLU HA H 3.55 0.0015 .
576 55 55 GLU HG2 H 2.01 0.0015 .
577 55 55 GLU CA C 58.3 0.15 .
578 55 55 GLU CG C 35.8 0.15 .
579 55 55 GLU N N 124.3 0.15 .
580 56 56 GLN H H 8.55 0.0015 .
581 56 56 GLN HA H 4.10 0.0015 .
582 56 56 GLN HB2 H 2.30 0.0015 .
583 56 56 GLN HB3 H 2.11 0.0015 .
584 56 56 GLN HG2 H 2.32 0.0015 .
585 56 56 GLN HG3 H 2.28 0.0015 .
586 56 56 GLN CA C 56.16 0.15 .
587 56 56 GLN CB C 28.1 0.15 .
588 56 56 GLN CG C 33.5 0.15 .
589 56 56 GLN N N 112.8500 0.15 .
590 57 57 GLU H H 7.9300 0.0015 .
591 57 57 GLU HA H 4.5900 0.0015 .
592 57 57 GLU HB2 H 1.9800 0.0015 .
593 57 57 GLU HB3 H 1.9800 0.0015 .
594 57 57 GLU HG2 H 2.2500 0.0015 .
595 57 57 GLU HG3 H 2.2500 0.0015 .
596 57 57 GLU CA C 54.8300 0.15 .
597 57 57 GLU CB C 32.3000 0.15 .
598 57 57 GLU CG C 35.2000 0.15 .
599 57 57 GLU N N 118.7900 0.15 .
600 58 58 ALA H H 8.9860 0.0015 .
601 58 58 ALA HA H 4.9900 0.0015 .
602 58 58 ALA HB H 1.0200 0.0015 .
603 58 58 ALA CA C 50.5000 0.15 .
604 58 58 ALA CB C 21.0000 0.15 .
605 58 58 ALA N N 124.8500 0.15 .
606 59 59 ILE H H 9.0430 0.0015 .
607 59 59 ILE HA H 4.6400 0.0015 .
608 59 59 ILE HB H 1.9600 0.0015 .
609 59 59 ILE HG12 H 1.4300 0.0015 .
610 59 59 ILE HG13 H 1.0950 0.0015 .
611 59 59 ILE HG2 H 0.4230 0.0015 .
612 59 59 ILE HD1 H 0.7310 0.0015 .
613 59 59 ILE CA C 58.9000 0.15 .
614 59 59 ILE CB C 39.4000 0.15 .
615 59 59 ILE CG1 C 27.7000 0.15 .
616 59 59 ILE CG2 C 17.7900 0.15 .
617 59 59 ILE CD1 C 11.9000 0.15 .
618 59 59 ILE N N 123.3700 0.15 .
619 60 60 LEU H H 9.2710 0.0015 .
620 60 60 LEU HA H 5.0580 0.0015 .
621 60 60 LEU HB2 H 1.7450 0.0015 .
622 60 60 LEU HB3 H 1.0300 0.0015 .
623 60 60 LEU HG H 1.23 0.0015 .
624 60 60 LEU HD1 H 0.6410 0.0015 .
625 60 60 LEU HD2 H 0.7080 0.0015 .
626 60 60 LEU CA C 53.2000 0.15 .
627 60 60 LEU CB C 44.4000 0.15 .
628 60 60 LEU CG C 27.5 0.15 .
629 60 60 LEU CD1 C 27.8000 0.15 .
630 60 60 LEU CD2 C 24.4000 0.15 .
631 60 60 LEU N N 129.4300 0.15 .
632 61 61 HIS H H 9.1620 0.0015 .
633 61 61 HIS HA H 4.5670 0.0015 .
634 61 61 HIS HB2 H 2.677 0.0015 .
635 61 61 HIS HB3 H 2.587 0.0015 .
636 61 61 HIS HD2 H 6.8430 0.0015 .
637 61 61 HIS HE1 H 7.6560 0.0015 .
638 61 61 HIS CA C 53.8100 0.15 .
639 61 61 HIS CB C 33.4000 0.15 .
640 61 61 HIS CD2 C 117.1000 0.15 .
641 61 61 HIS N N 123.5300 0.15 .
642 62 62 ASN H H 9.7610 0.0015 .
643 62 62 ASN HA H 4.5100 0.0015 .
644 62 62 ASN HB2 H 2.8140 0.0015 .
645 62 62 ASN HB3 H 2.1800 0.0015 .
646 62 62 ASN HD21 H 8.2930 0.0015 .
647 62 62 ASN HD22 H 7.7670 0.0015 .
648 62 62 ASN CA C 53.9700 0.15 .
649 62 62 ASN CB C 41.7500 0.15 .
650 62 62 ASN N N 120.9100 0.15 .
651 62 62 ASN ND2 N 121.9000 0.15 .
652 63 63 PHE H H 8.4690 0.0015 .
653 63 63 PHE HA H 5.1190 0.0015 .
654 63 63 PHE HB2 H 3.2900 0.0015 .
655 63 63 PHE HB3 H 2.6900 0.0015 .
656 63 63 PHE HD1 H 6.9600 0.0015 .
657 63 63 PHE HD2 H 6.9600 0.0015 .
658 63 63 PHE HE1 H 7.1720 0.0015 .
659 63 63 PHE HE2 H 7.1720 0.0015 .
660 63 63 PHE HZ H 7.0220 0.0015 .
661 63 63 PHE CA C 54.8700 0.15 .
662 63 63 PHE CB C 40.0000 0.15 .
663 63 63 PHE CD1 C 129.4000 0.15 .
664 63 63 PHE CD2 C 129.4000 0.15 .
665 63 63 PHE CE1 C 130.3000 0.15 .
666 63 63 PHE CE2 C 130.3000 0.15 .
667 63 63 PHE CZ C 128.4400 0.15 .
668 63 63 PHE N N 121.8700 0.15 .
669 64 64 SER H H 7.1400 0.0015 .
670 64 64 SER HA H 4.3550 0.0015 .
671 64 64 SER HB2 H 3.2900 0.0015 .
672 64 64 SER HB3 H 2.5200 0.0015 .
673 64 64 SER CA C 58.2200 0.15 .
674 64 64 SER CB C 63.4000 0.15 .
675 64 64 SER N N 110.8100 0.15 .
676 65 65 SER H H 9.0620 0.0015 .
677 65 65 SER HA H 4.5500 0.0015 .
678 65 65 SER HB2 H 3.98 0.0015 .
679 65 65 SER HB3 H 3.90 0.0015 .
680 65 65 SER CA C 58.8400 0.15 .
681 65 65 SER CB C 62.9 0.15 .
682 65 65 SER N N 124.4500 0.15 .
683 66 66 THR H H 7.7700 0.0015 .
684 66 66 THR HA H 4.1170 0.0015 .
685 66 66 THR HB H 3.7800 0.0015 .
686 66 66 THR HG1 H 5.67 0.0015 .
687 66 66 THR HG2 H 1.1600 0.0015 .
688 66 66 THR CA C 63.7100 0.15 .
689 66 66 THR CB C 68.8800 0.15 .
690 66 66 THR CG2 C 22.4000 0.15 .
691 66 66 THR N N 114.9600 0.15 .
692 67 67 ASN H H 7.4140 0.0015 .
693 67 67 ASN HA H 5.3300 0.0015 .
694 67 67 ASN HB2 H 2.7600 0.0015 .
695 67 67 ASN HD21 H 8.3300 0.0015 .
696 67 67 ASN HD22 H 7.5700 0.0015 .
697 67 67 ASN CA C 50.6000 0.15 .
698 67 67 ASN CB C 40.6800 0.15 .
699 67 67 ASN N N 117.0200 0.15 .
700 67 67 ASN ND2 N 118.8000 0.15 .
701 68 68 PRO HA H 4.5300 0.0015 .
702 68 68 PRO HB2 H 2.50 0.0015 .
703 68 68 PRO HB3 H 2.00 0.0015 .
704 68 68 PRO HG2 H 2.04 0.0015 .
705 68 68 PRO HG3 H 2.00 0.0015 .
706 68 68 PRO HD2 H 3.2600 0.0015 .
707 68 68 PRO HD3 H 3.6200 0.0015 .
708 68 68 PRO CA C 64.3 0.15 .
709 68 68 PRO CB C 32.8 0.15 .
710 68 68 PRO CG C 27.5 0.15 .
711 68 68 PRO CD C 50.0700 0.15 .
712 69 69 THR H H 7.8400 0.0015 .
713 69 69 THR HA H 3.9800 0.0015 .
714 69 69 THR HB H 3.5700 0.0015 .
715 69 69 THR HG1 H 6.1030 0.0015 .
716 69 69 THR HG2 H 1.1500 0.0015 .
717 69 69 THR CA C 65.6200 0.15 .
718 69 69 THR CB C 69.7270 0.15 .
719 69 69 THR CG2 C 22.8000 0.15 .
720 69 69 THR N N 118.5500 0.15 .
721 70 70 GLN H H 8.3600 0.0015 .
722 70 70 GLN HA H 5.1850 0.0015 .
723 70 70 GLN HB2 H 1.7960 0.0015 .
724 70 70 GLN HB3 H 1.60 0.0015 .
725 70 70 GLN HG2 H 2.3380 0.0015 .
726 70 70 GLN HG3 H 1.82 0.0015 .
727 70 70 GLN HE21 H 7.2600 0.0015 .
728 70 70 GLN HE22 H 6.5400 0.0015 .
729 70 70 GLN CA C 53.4000 0.15 .
730 70 70 GLN CB C 32.8 0.15 .
731 70 70 GLN CG C 33.3 0.15 .
732 70 70 GLN N N 121.1000 0.15 .
733 70 70 GLN NE2 N 109.0300 0.15 .
734 71 71 VAL H H 8.6700 0.0015 .
735 71 71 VAL HA H 4.9000 0.0015 .
736 71 71 VAL HB H 1.7910 0.0015 .
737 71 71 VAL HG1 H 0.7420 0.0015 .
738 71 71 VAL HG2 H 0.7420 0.0015 .
739 71 71 VAL CA C 61.0800 0.15 .
740 71 71 VAL CB C 33.4900 0.15 .
741 71 71 VAL CG1 C 23.7200 0.15 .
742 71 71 VAL CG2 C 20.5700 0.15 .
743 71 71 VAL N N 117.9500 0.15 .
744 72 72 ASN H H 9.9450 0.0015 .
745 72 72 ASN HA H 4.4550 0.0015 .
746 72 72 ASN HB2 H 3.0200 0.0015 .
747 72 72 ASN HB3 H 3.0200 0.0015 .
748 72 72 ASN HD21 H 7.8730 0.0015 .
749 72 72 ASN HD22 H 7.5350 0.0015 .
750 72 72 ASN CA C 53.9000 0.15 .
751 72 72 ASN CB C 36.8000 0.15 .
752 72 72 ASN N N 127.1700 0.15 .
753 72 72 ASN ND2 N 117.0600 0.15 .
754 73 73 GLY H H 8.7880 0.0015 .
755 73 73 GLY HA2 H 4.1310 0.0015 .
756 73 73 GLY HA3 H 3.7380 0.0015 .
757 73 73 GLY CA C 45.3500 0.15 .
758 73 73 GLY N N 102.6900 0.15 .
759 74 74 SER H H 7.7200 0.0015 .
760 74 74 SER HA H 4.8950 0.0015 .
761 74 74 SER HB2 H 3.8630 0.0015 .
762 74 74 SER HB3 H 3.7010 0.0015 .
763 74 74 SER CA C 57.0400 0.15 .
764 74 74 SER CB C 64.7000 0.15 .
765 74 74 SER N N 114.9600 0.15 .
766 75 75 VAL H H 8.6530 0.0015 .
767 75 75 VAL HA H 3.9500 0.0015 .
768 75 75 VAL HB H 1.9400 0.0015 .
769 75 75 VAL HG1 H 1.0100 0.0015 .
770 75 75 VAL HG2 H 0.9170 0.0015 .
771 75 75 VAL CA C 63.4900 0.15 .
772 75 75 VAL CB C 32.5000 0.15 .
773 75 75 VAL CG1 C 21.5300 0.15 .
774 75 75 VAL CG2 C 21.6000 0.15 .
775 75 75 VAL N N 123.9900 0.15 .
776 76 76 ILE H H 7.9570 0.0015 .
777 76 76 ILE HA H 4.4960 0.0015 .
778 76 76 ILE HB H 1.9030 0.0015 .
779 76 76 ILE HG12 H 1.11 0.0015 .
780 76 76 ILE HG13 H 1.22 0.0015 .
781 76 76 ILE HG2 H 0.8300 0.0015 .
782 76 76 ILE HD1 H 0.6500 0.0015 .
783 76 76 ILE CA C 59.3000 0.15 .
784 76 76 ILE CB C 38.3000 0.15 .
785 76 76 ILE CG1 C 25.4 0.15 .
786 76 76 ILE CG2 C 18.4000 0.15 .
787 76 76 ILE CD1 C 12.7100 0.15 .
788 76 76 ILE N N 122.7900 0.15 .
789 77 77 ASP H H 8.5570 0.0015 .
790 77 77 ASP HA H 4.7770 0.0015 .
791 77 77 ASP HB2 H 2.7300 0.0015 .
792 77 77 ASP HB3 H 2.7300 0.0015 .
793 77 77 ASP CA C 53.8500 0.15 .
794 77 77 ASP CB C 41.7000 0.15 .
795 77 77 ASP N N 122.4800 0.15 .
796 78 78 GLU H H 8.3100 0.0015 .
797 78 78 GLU HA H 4.57 0.0015 .
798 78 78 GLU HB2 H 1.91 0.0015 .
799 78 78 GLU HB3 H 2.11 0.0015 .
800 78 78 GLU HG2 H 2.29 0.0015 .
801 78 78 GLU CA C 54.4 0.15 .
802 78 78 GLU CB C 28.8 0.15 .
803 78 78 GLU N N 120.6200 0.15 .
804 79 79 PRO HA H 4.5900 0.0015 .
805 79 79 PRO HB2 H 1.2300 0.0015 .
806 79 79 PRO HB3 H 1.2300 0.0015 .
807 79 79 PRO HG2 H 1.84 0.0015 .
808 79 79 PRO HG3 H 1.82 0.0015 .
809 79 79 PRO HD2 H 3.8020 0.0015 .
810 79 79 PRO HD3 H 3.5200 0.0015 .
811 79 79 PRO CA C 63.2400 0.15 .
812 79 79 PRO CB C 31.0000 0.15 .
813 79 79 PRO CG C 27.8 0.15 .
814 80 80 VAL H H 8.3190 0.0015 .
815 80 80 VAL HA H 4.5200 0.0015 .
816 80 80 VAL HB H 1.8890 0.0015 .
817 80 80 VAL HG1 H 0.9200 0.0015 .
818 80 80 VAL HG2 H 0.9200 0.0015 .
819 80 80 VAL CA C 59.0100 0.15 .
820 80 80 VAL CB C 35.8000 0.15 .
821 80 80 VAL CG1 C 21.3000 0.15 .
822 80 80 VAL CG2 C 20.3800 0.15 .
823 80 80 VAL N N 116.9100 0.15 .
824 81 81 ARG H H 8.5370 0.0015 .
825 81 81 ARG HA H 4.5600 0.0015 .
826 81 81 ARG HB2 H 1.7800 0.0015 .
827 81 81 ARG HB3 H 1.6700 0.0015 .
828 81 81 ARG HG2 H 1.6100 0.0015 .
829 81 81 ARG HG3 H 1.5300 0.0015 .
830 81 81 ARG HD2 H 3.1600 0.0015 .
831 81 81 ARG HD3 H 3.1600 0.0015 .
832 81 81 ARG CA C 55.5500 0.15 .
833 81 81 ARG CB C 29.9000 0.15 .
834 81 81 ARG CG C 27.8000 0.15 .
835 81 81 ARG CD C 43.3400 0.15 .
836 81 81 ARG N N 125.0000 0.15 .
837 82 82 LEU H H 8.7100 0.0015 .
838 82 82 LEU HA H 4.3780 0.0015 .
839 82 82 LEU HB2 H 1.0000 0.0015 .
840 82 82 LEU HB3 H 0.59 0.0015 .
841 82 82 LEU HG H 1.4080 0.0015 .
842 82 82 LEU HD1 H 0.7010 0.0015 .
843 82 82 LEU HD2 H 0.3100 0.0015 .
844 82 82 LEU CA C 54.1400 0.15 .
845 82 82 LEU CB C 43.2 0.15 .
846 82 82 LEU CG C 26.1200 0.15 .
847 82 82 LEU CD1 C 22.4200 0.15 .
848 82 82 LEU CD2 C 26.1200 0.15 .
849 82 82 LEU N N 127.3500 0.15 .
850 83 83 LYS H H 9.1500 0.0015 .
851 83 83 LYS HA H 4.8400 0.0015 .
852 83 83 LYS HB2 H 1.8900 0.0015 .
853 83 83 LYS HB3 H 1.8400 0.0015 .
854 83 83 LYS HG2 H 1.6310 0.0015 .
855 83 83 LYS HG3 H 1.3990 0.0015 .
856 83 83 LYS HD2 H 1.7600 0.0015 .
857 83 83 LYS HE2 H 3.1000 0.0015 .
858 83 83 LYS HE3 H 3.1000 0.0015 .
859 83 83 LYS CA C 53.9000 0.15 .
860 83 83 LYS CB C 35.1000 0.15 .
861 83 83 LYS CG C 23.6000 0.15 .
862 83 83 LYS CD C 28.8000 0.15 .
863 83 83 LYS CE C 41.8000 0.15 .
864 83 83 LYS N N 121.9500 0.15 .
865 84 84 HIS H H 8.9500 0.0015 .
866 84 84 HIS HA H 4.1070 0.0015 .
867 84 84 HIS HB2 H 3.2600 0.0015 .
868 84 84 HIS HB3 H 3.0000 0.0015 .
869 84 84 HIS HD2 H 6.9300 0.0015 .
870 84 84 HIS HE1 H 7.5500 0.0015 .
871 84 84 HIS CA C 59.5600 0.15 .
872 84 84 HIS CB C 31.5 0.15 .
873 84 84 HIS CD2 C 117.3400 0.15 .
874 84 84 HIS N N 121.2000 0.15 .
875 85 85 GLY H H 9.3180 0.0015 .
876 85 85 GLY HA2 H 4.3110 0.0015 .
877 85 85 GLY HA3 H 3.1140 0.0015 .
878 85 85 GLY CA C 44.4000 0.15 .
879 85 85 GLY N N 117.5600 0.15 .
880 86 86 ASP H H 8.5400 0.0015 .
881 86 86 ASP HA H 4.86 0.0015 .
882 86 86 ASP HB2 H 2.32 0.0015 .
883 86 86 ASP HB3 H 2.89 0.0015 .
884 86 86 ASP CA C 53.3900 0.15 .
885 86 86 ASP CB C 41.8 0.15 .
886 86 86 ASP N N 122.2600 0.15 .
887 87 87 VAL H H 8.3660 0.0015 .
888 87 87 VAL HA H 4.7270 0.0015 .
889 87 87 VAL HB H 1.9880 0.0015 .
890 87 87 VAL HG1 H 0.7900 0.0015 .
891 87 87 VAL HG2 H 0.9960 0.0015 .
892 87 87 VAL CA C 61.3800 0.15 .
893 87 87 VAL CB C 33.6000 0.15 .
894 87 87 VAL CG1 C 21.5500 0.15 .
895 87 87 VAL CG2 C 21.4100 0.15 .
896 87 87 VAL N N 119.0000 0.15 .
897 88 88 ILE H H 9.6600 0.0015 .
898 88 88 ILE HA H 4.6810 0.0015 .
899 88 88 ILE HB H 1.8350 0.0015 .
900 88 88 ILE HG12 H 1.6600 0.0015 .
901 88 88 ILE HG13 H 0.8200 0.0015 .
902 88 88 ILE HG2 H 0.5600 0.0015 .
903 88 88 ILE HD1 H 0.8260 0.0015 .
904 88 88 ILE CA C 60.2500 0.15 .
905 88 88 ILE CB C 41.0700 0.15 .
906 88 88 ILE CG1 C 27.4000 0.15 .
907 88 88 ILE CG2 C 16.9000 0.15 .
908 88 88 ILE CD1 C 15.3500 0.15 .
909 88 88 ILE N N 132.5100 0.15 .
910 89 89 THR H H 9.2700 0.0015 .
911 89 89 THR HA H 5.1730 0.0015 .
912 89 89 THR HB H 3.5350 0.0015 .
913 89 89 THR HG2 H 0.8020 0.0015 .
914 89 89 THR CA C 61.9000 0.15 .
915 89 89 THR CB C 70.6100 0.15 .
916 89 89 THR CG2 C 21.35 0.15 .
917 89 89 THR N N 123.4100 0.15 .
918 90 90 ILE H H 9.3200 0.0015 .
919 90 90 ILE HA H 3.9720 0.0015 .
920 90 90 ILE HB H 1.5810 0.0015 .
921 90 90 ILE HG12 H 1.2600 0.0015 .
922 90 90 ILE HG13 H 0.7300 0.0015 .
923 90 90 ILE HG2 H 0.1400 0.0015 .
924 90 90 ILE HD1 H 0.3700 0.0015 .
925 90 90 ILE CA C 60.6000 0.15 .
926 90 90 ILE CB C 39.7000 0.15 .
927 90 90 ILE CG1 C 27.7000 0.15 .
928 90 90 ILE CG2 C 16.8900 0.15 .
929 90 90 ILE CD1 C 16.0000 0.15 .
930 90 90 ILE N N 130.0400 0.15 .
931 91 91 ILE H H 9.0700 0.0015 .
932 91 91 ILE HA H 3.3100 0.0015 .
933 91 91 ILE HB H 2.66 0.0015 .
934 91 91 ILE HG12 H 1.07 0.0015 .
935 91 91 ILE HG13 H 1.50 0.0015 .
936 91 91 ILE HG2 H 0.9300 0.0015 .
937 91 91 ILE HD1 H 0.7360 0.0015 .
938 91 91 ILE CA C 62.4000 0.15 .
939 91 91 ILE CB C 30.5 0.15 .
940 91 91 ILE CG2 C 17.9000 0.15 .
941 91 91 ILE CD1 C 8.1000 0.15 .
942 91 91 ILE N N 120.9700 0.15 .
943 92 92 ASP H H 7.5700 0.0015 .
944 92 92 ASP HA H 4.3800 0.0015 .
945 92 92 ASP HB2 H 2.9900 0.0015 .
946 92 92 ASP HB3 H 2.3000 0.0015 .
947 92 92 ASP CA C 52.1600 0.15 .
948 92 92 ASP CB C 40.2000 0.15 .
949 92 92 ASP N N 122.3600 0.15 .
950 93 93 ARG H H 8.5110 0.0015 .
951 93 93 ARG HA H 4.9900 0.0015 .
952 93 93 ARG HB2 H 1.80 0.0015 .
953 93 93 ARG HG2 H 1.47 0.0015 .
954 93 93 ARG HG3 H 1.08 0.0015 .
955 93 93 ARG HD2 H 2.87 0.0015 .
956 93 93 ARG HD3 H 2.87 0.0015 .
957 93 93 ARG HE H 7.2200 0.0015 .
958 93 93 ARG CA C 51.2901 0.15 .
959 93 93 ARG CB C 27.8 0.15 .
960 93 93 ARG CG C 25.8 0.15 .
961 93 93 ARG CD C 43.6 0.15 .
962 93 93 ARG N N 121.0600 0.15 .
963 93 93 ARG NE N 84.7000 0.15 .
964 94 94 SER H H 8.9330 0.0015 .
965 94 94 SER HA H 6.0400 0.0015 .
966 94 94 SER HB2 H 3.5800 0.0015 .
967 94 94 SER HB3 H 3.2860 0.0015 .
968 94 94 SER CA C 57.2000 0.15 .
969 94 94 SER CB C 66.1000 0.15 .
970 94 94 SER N N 118.9300 0.15 .
971 95 95 PHE H H 9.2600 0.0015 .
972 95 95 PHE HA H 5.1500 0.0015 .
973 95 95 PHE HB2 H 2.8600 0.0015 .
974 95 95 PHE HB3 H 2.8600 0.0015 .
975 95 95 PHE HD1 H 7.1300 0.0015 .
976 95 95 PHE HD2 H 7.1300 0.0015 .
977 95 95 PHE HE1 H 7.22 0.0015 .
978 95 95 PHE HE2 H 7.22 0.0015 .
979 95 95 PHE HZ H 7.05 0.0015 .
980 95 95 PHE CA C 55.6300 0.15 .
981 95 95 PHE CB C 43.3000 0.15 .
982 95 95 PHE CD1 C 131.8000 0.15 .
983 95 95 PHE CD2 C 131.8000 0.15 .
984 95 95 PHE CE1 C 130.7 0.15 .
985 95 95 PHE CE2 C 130.7 0.15 .
986 95 95 PHE CZ C 127.6 0.15 .
987 95 95 PHE N N 118.1600 0.15 .
988 96 96 ARG H H 9.7000 0.0015 .
989 96 96 ARG HA H 5.2260 0.0015 .
990 96 96 ARG HB2 H 1.47 0.0015 .
991 96 96 ARG HB3 H 1.86 0.0015 .
992 96 96 ARG HD2 H 3.1700 0.0015 .
993 96 96 ARG HD3 H 3.1700 0.0015 .
994 96 96 ARG HE H 7.7500 0.0015 .
995 96 96 ARG CA C 54.5000 0.15 .
996 96 96 ARG CB C 33.0 0.15 .
997 96 96 ARG N N 125.0200 0.15 .
998 96 96 ARG NE N 82.9000 0.15 .
999 97 97 TYR H H 9.4220 0.0015 .
1000 97 97 TYR HA H 4.9200 0.0015 .
1001 97 97 TYR HB2 H 2.9570 0.0015 .
1002 97 97 TYR HB3 H 2.7250 0.0015 .
1003 97 97 TYR HD1 H 6.9110 0.0015 .
1004 97 97 TYR HD2 H 6.9110 0.0015 .
1005 97 97 TYR HE1 H 6.4140 0.0015 .
1006 97 97 TYR HE2 H 6.4140 0.0015 .
1007 97 97 TYR CA C 57.8900 0.15 .
1008 97 97 TYR CB C 39.2000 0.15 .
1009 97 97 TYR CD1 C 132.5000 0.15 .
1010 97 97 TYR CD2 C 132.5000 0.15 .
1011 97 97 TYR CE1 C 116.7200 0.15 .
1012 97 97 TYR CE2 C 116.7200 0.15 .
1013 97 97 TYR N N 129.5700 0.15 .
1014 98 98 GLU H H 8.5500 0.0015 .
1015 98 98 GLU HA H 4.7700 0.0015 .
1016 98 98 GLU HB2 H 1.91 0.0015 .
1017 98 98 GLU HB3 H 1.86 0.0015 .
1018 98 98 GLU HG2 H 1.7580 0.0015 .
1019 98 98 GLU HG3 H 2.0500 0.0015 .
1020 98 98 GLU CA C 53.9100 0.15 .
1021 98 98 GLU CB C 33.7 0.15 .
1022 98 98 GLU CG C 36.7000 0.15 .
1023 98 98 GLU N N 125.6700 0.15 .
1024 99 99 ASN H H 10.9100 0.0015 .
1025 99 99 ASN HA H 4.9900 0.0015 .
1026 99 99 ASN HB2 H 2.6600 0.0015 .
1027 99 99 ASN HB3 H 2.6600 0.0015 .
1028 99 99 ASN HD21 H 7.3590 0.0015 .
1029 99 99 ASN HD22 H 6.9790 0.0015 .
1030 99 99 ASN CA C 51.9000 0.15 .
1031 99 99 ASN CB C 40.0000 0.15 .
1032 99 99 ASN N N 120.9300 0.15 .
1033 99 99 ASN ND2 N 110.0100 0.15 .
1034 100 100 GLU H H 8.4500 0.0015 .
1035 100 100 GLU HA H 4.13 0.0015 .
1036 100 100 GLU HB2 H 1.91 0.0015 .
1037 100 100 GLU HG2 H 2.04 0.0015 .
1038 100 100 GLU CA C 56.1700 0.15 .
1039 100 100 GLU CB C 30.9 0.15 .
1040 100 100 GLU N N 122.9100 0.15 .
1041 101 101 SER H H 8.37 0.0015 .
1042 101 101 SER HA H 4.35 0.0015 .
1043 101 101 SER HB2 H 3.82 0.0015 .
1044 101 101 SER CA C 58.2 0.15 .
1045 101 101 SER CB C 63.4 0.15 .
1046 101 101 SER N N 116.6 0.15 .
1047 102 102 LEU H H 8.23 0.0015 .
1048 102 102 LEU HA H 4.32 0.0015 .
1049 102 102 LEU HB2 H 1.57 0.0015 .
1050 102 102 LEU HB3 H 1.57 0.0015 .
1051 102 102 LEU HD1 H 0.81 0.0015 .
1052 102 102 LEU HD2 H 0.88 0.0015 .
1053 102 102 LEU CA C 54.8 0.15 .
1054 102 102 LEU CB C 42.0 0.15 .
1055 102 102 LEU CD1 C 23.1 0.15 .
1056 102 102 LEU CD2 C 24.8 0.15 .
1057 102 102 LEU N N 124.0 0.15 .
1058 103 103 GLN H H 8.3300 0.0015 .
1059 103 103 GLN HA H 4.32 0.0015 .
1060 103 103 GLN HB2 H 2.09 0.0015 .
1061 103 103 GLN HB3 H 1.98 0.0015 .
1062 103 103 GLN HG2 H 2.36 0.0015 .
1063 103 103 GLN HG3 H 2.36 0.0015 .
1064 103 103 GLN HE21 H 7.5800 0.0015 .
1065 103 103 GLN HE22 H 6.8400 0.0015 .
1066 103 103 GLN CA C 55.5 0.15 .
1067 103 103 GLN CB C 29.5 0.15 .
1068 103 103 GLN CG C 33.4000 0.15 .
1069 103 103 GLN NE2 N 112.1000 0.15 .
1070 104 104 ASN H H 8.10 0.0015 .
1071 104 104 ASN HB2 H 2.69 0.0015 .
1072 104 104 ASN CA C 54.7 0.15 .
1073 104 104 ASN CB C 40.9 0.15 .
1074 104 104 ASN N N 125.8 0.15 .
1075 105 105 GLY H H 8.41 0.0015 .
1076 105 105 GLY CA C 45.6 0.15 .
1077 105 105 GLY N N 114.2 0.15 .
1078 106 106 ARG H H 8.10 0.0015 .
1079 106 106 ARG CA C 55.9 0.15 .
1080 106 106 ARG CB C 30.8 0.15 .
1081 106 106 ARG N N 120.6 0.15 .
1082 107 107 LYS H H 8.426 0.0015 .
1083 107 107 LYS CA C 56.0 0.15 .
1084 107 107 LYS CB C 32.9 0.15 .
1085 107 107 LYS N N 123.4 0.15 .
1086 108 108 SER CA C 58.4 0.15 .
1087 108 108 SER CB C 63.6 0.15 .
1088 109 109 THR H H 8.14 0.0015 .
1089 109 109 THR HA H 4.30 0.0015 .
1090 109 109 THR HB H 4.23 0.0015 .
1091 109 109 THR HG2 H 1.14 0.0015 .
1092 109 109 THR CA C 61.48 0.15 .
1093 109 109 THR CB C 69.5 0.15 .
1094 109 109 THR N N 115.4 0.15 .
1095 110 110 GLU H H 8.21 0.0015 .
1096 110 110 GLU CA C 56.3 0.15 .
1097 110 110 GLU CB C 30.5 0.15 .
1098 110 110 GLU N N 123.0 0.15 .
1099 111 111 PHE H H 8.12 0.0015 .
1100 111 111 PHE HA H 4.53 0.0015 .
1101 111 111 PHE HB2 H 2.94 0.0015 .
1102 111 111 PHE HD1 H 7.24 0.0015 .
1103 111 111 PHE HD2 H 7.24 0.0015 .
1104 111 111 PHE CA C 55.5 0.15 .
1105 111 111 PHE CB C 41.2 0.15 .
1106 111 111 PHE N N 121.5 0.15 .
1107 112 112 PRO HA H 4.43 0.0015 .
1108 112 112 PRO CA C 62.9 0.15 .
1109 112 112 PRO CB C 32.0 0.15 .
1110 113 113 ARG H H 8.41 0.0015 .
1111 113 113 ARG CA C 56.0 0.15 .
1112 113 113 ARG CB C 31.0 0.15 .
1113 113 113 ARG N N 121.9 0.15 .
1114 114 114 LYS CA C 56.2400 0.15 .
1115 114 114 LYS CB C 32.8 0.15 .
1116 115 115 ILE H H 8.2860 0.0015 .
1117 115 115 ILE HA H 4.1380 0.0015 .
1118 115 115 ILE HB H 1.8600 0.0015 .
1119 115 115 ILE CA C 60.8200 0.15 .
1120 115 115 ILE CB C 38.4000 0.15 .
1121 115 115 ILE N N 122.8000 0.15 .
1122 116 116 ARG H H 8.4300 0.0015 .
1123 116 116 ARG CA C 56.0400 0.15 .
1124 116 116 ARG CB C 30.7 0.15 .
1125 116 116 ARG N N 125.4070 0.15 .
1126 117 117 GLU H H 8.57 0.0015 .
1127 117 117 GLU CA C 56.4 0.15 .
1128 117 117 GLU CB C 30.2 0.15 .
1129 117 117 GLU N N 122.6 0.15 .
1130 118 118 GLN CA C 55.5500 0.15 .
1131 118 118 GLN CB C 29.6 0.15 .
1132 119 119 GLU H H 8.4750 0.0015 .
1133 119 119 GLU CA C 54.3200 0.15 .
1134 119 119 GLU CB C 29.40 0.15 .
1135 119 119 GLU N N 124.6700 0.15 .
stop_
save_
save_chem_shift_list_1_2
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_referencing
_Mol_system_component_name hNIFK
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 226 1 LYS H H 8.4980 0.0015 .
2 226 1 LYS HA H 4.45 0.0015 .
3 226 1 LYS CA C 56.1700 0.15 .
4 226 1 LYS CB C 33.0300 0.15 .
5 226 1 LYS N N 123.5900 0.15 .
6 227 2 THR H H 8.3100 0.0015 .
7 227 2 THR HA H 4.3530 0.0015 .
8 227 2 THR HB H 4.1970 0.0015 .
9 227 2 THR HG2 H 1.2100 0.0015 .
10 227 2 THR CA C 61.7500 0.15 .
11 227 2 THR CB C 69.5400 0.15 .
12 227 2 THR CG2 C 21.6500 0.15 .
13 227 2 THR N N 116.0500 0.15 .
14 228 3 VAL H H 8.2400 0.0015 .
15 228 3 VAL HA H 4.1660 0.0015 .
16 228 3 VAL HB H 2.0390 0.0015 .
17 228 3 VAL HG1 H 0.9030 0.0015 .
18 228 3 VAL HG2 H 0.8760 0.0015 .
19 228 3 VAL CA C 61.4500 0.15 .
20 228 3 VAL CB C 32.9900 0.15 .
21 228 3 VAL CG1 C 20.3700 0.15 .
22 228 3 VAL CG2 C 20.9300 0.15 .
23 228 3 VAL N N 121.9400 0.15 .
24 229 4 ASP H H 8.5600 0.0015 .
25 229 4 ASP HA H 4.6450 0.0015 .
26 229 4 ASP HB2 H 2.7860 0.0015 .
27 229 4 ASP HB3 H 2.6560 0.0015 .
28 229 4 ASP CA C 53.8000 0.15 .
29 229 4 ASP CB C 41.3000 0.15 .
30 229 4 ASP N N 125.0400 0.15 .
31 230 5 SER H H 9.5000 0.0015 .
32 230 5 SER HA H 4.3620 0.0015 .
33 230 5 SER HB2 H 4.1800 0.0015 .
34 230 5 SER HB3 H 4.1000 0.0015 .
35 230 5 SER CA C 58.6600 0.15 .
36 230 5 SER CB C 65.4000 0.15 .
37 230 5 SER N N 121.1900 0.15 .
38 231 6 GLN H H 8.5200 0.0015 .
39 231 6 GLN HA H 4.4600 0.0015 .
40 231 6 GLN HB2 H 2.3000 0.0015 .
41 231 6 GLN HB3 H 1.9600 0.0015 .
42 231 6 GLN HG2 H 2.3900 0.0015 .
43 231 6 GLN HG3 H 2.3900 0.0015 .
44 231 6 GLN HE21 H 8.1300 0.0015 .
45 231 6 GLN HE22 H 6.7700 0.0015 .
46 231 6 GLN CA C 55.2000 0.15 .
47 231 6 GLN CB C 29.3000 0.15 .
48 231 6 GLN CG C 33.5000 0.15 .
49 231 6 GLN N N 120.4000 0.15 .
50 231 6 GLN NE2 N 114.5000 0.15 .
51 232 7 GLY H H 8.0800 0.0015 .
52 232 7 GLY HA2 H 4.2200 0.0015 .
53 232 7 GLY HA3 H 4.0200 0.0015 .
54 232 7 GLY CA C 44.7500 0.15 .
55 232 7 GLY N N 108.3700 0.15 .
56 233 8 PRO HA H 4.3900 0.0015 .
57 233 8 PRO HB2 H 2.3000 0.0015 .
58 233 8 PRO HB3 H 1.8600 0.0015 .
59 233 8 PRO HG2 H 2.0300 0.0015 .
60 233 8 PRO HG3 H 2.0300 0.0015 .
61 233 8 PRO HD2 H 3.6870 0.0015 .
62 233 8 PRO HD3 H 3.6150 0.0015 .
63 233 8 PRO CA C 62.6000 0.15 .
64 233 8 PRO CB C 31.9000 0.15 .
65 233 8 PRO CG C 27.1000 0.15 .
66 233 8 PRO CD C 49.9000 0.15 .
67 234 9 THR H H 10.6970 0.0015 .
68 234 9 THR HA H 4.2300 0.0015 .
69 234 9 THR HB H 4.3320 0.0015 .
70 234 9 THR HG2 H 1.2220 0.0015 .
71 234 9 THR CA C 61.3100 0.15 .
72 234 9 THR CB C 73.2200 0.15 .
73 234 9 THR CG2 C 20.2100 0.15 .
74 234 9 THR N N 126.7000 0.15 .
75 235 10 PRO HA H 4.5200 0.0015 .
76 235 10 PRO HB2 H 1.7700 0.0015 .
77 235 10 PRO HB3 H 2.2000 0.0015 .
78 235 10 PRO HG2 H 1.8450 0.0015 .
79 235 10 PRO HG3 H 1.6980 0.0015 .
80 235 10 PRO HD2 H 4.0000 0.0015 .
81 235 10 PRO HD3 H 3.8300 0.0015 .
82 235 10 PRO CA C 61.6300 0.15 .
83 235 10 PRO CB C 31.8300 0.15 .
84 235 10 PRO CG C 26.5500 0.15 .
85 235 10 PRO CD C 50.6000 0.15 .
86 236 11 VAL H H 8.0600 0.0015 .
87 236 11 VAL HA H 3.7700 0.0015 .
88 236 11 VAL HB H 1.9300 0.0015 .
89 236 11 VAL HG1 H 1.0300 0.0015 .
90 236 11 VAL HG2 H 0.9380 0.0015 .
91 236 11 VAL CA C 62.3000 0.15 .
92 236 11 VAL CB C 32.3400 0.15 .
93 236 11 VAL CG1 C 21.6100 0.15 .
94 236 11 VAL CG2 C 21.0000 0.15 .
95 236 11 VAL N N 118.1100 0.15 .
96 237 12 CYS H H 9.2490 0.0015 .
97 237 12 CYS HA H 4.3000 0.0015 .
98 237 12 CYS HB2 H 2.9500 0.0015 .
99 237 12 CYS HB3 H 2.3400 0.0015 .
100 237 12 CYS HG H 1.84 0.0015 .
101 237 12 CYS CA C 58.9500 0.15 .
102 237 12 CYS CB C 26.0800 0.15 .
103 237 12 CYS N N 127.1000 0.15 .
104 238 13 THR H H 8.3800 0.0015 .
105 238 13 THR HA H 4.9440 0.0015 .
106 238 13 THR HB H 4.0010 0.0015 .
107 238 13 THR HG2 H 1.3000 0.0015 .
108 238 13 THR CA C 59.9800 0.15 .
109 238 13 THR CG2 C 21.2900 0.15 .
110 238 13 THR N N 122.1800 0.15 .
111 239 14 PRO HA H 4.26 0.0015 .
112 239 14 PRO HB2 H 2.51 0.0015 .
113 239 14 PRO HB3 H 2.00 0.0015 .
114 239 14 PRO HG2 H 2.22 0.0015 .
115 239 14 PRO HG3 H 1.96 0.0015 .
116 239 14 PRO HD2 H 3.9700 0.0015 .
117 239 14 PRO HD3 H 3.9700 0.0015 .
118 239 14 PRO CA C 66.4 0.15 .
119 239 14 PRO CD C 51.2200 0.15 .
120 240 15 THR H H 10.1900 0.0015 .
121 240 15 THR HA H 4.1100 0.0015 .
122 240 15 THR HB H 4.5240 0.0015 .
123 240 15 THR HG2 H 1.2800 0.0015 .
124 240 15 THR CA C 66.0000 0.15 .
125 240 15 THR CB C 67.6000 0.15 .
126 240 15 THR CG2 C 21.3800 0.15 .
127 240 15 THR N N 114.8900 0.15 .
128 241 16 PHE H H 7.9600 0.0015 .
129 241 16 PHE HA H 4.1050 0.0015 .
130 241 16 PHE HB2 H 3.5200 0.0015 .
131 241 16 PHE HB3 H 3.2600 0.0015 .
132 241 16 PHE HD1 H 7.1800 0.0015 .
133 241 16 PHE HD2 H 7.1800 0.0015 .
134 241 16 PHE HE1 H 7.1500 0.0015 .
135 241 16 PHE HE2 H 7.1500 0.0015 .
136 241 16 PHE HZ H 7.18 0.0015 .
137 241 16 PHE CA C 61.4500 0.15 .
138 241 16 PHE CB C 39.5500 0.15 .
139 241 16 PHE CD1 C 132.1300 0.15 .
140 241 16 PHE CD2 C 132.1300 0.15 .
141 241 16 PHE CE1 C 128.3000 0.15 .
142 241 16 PHE CE2 C 128.3000 0.15 .
143 241 16 PHE CZ C 130.6 0.15 .
144 241 16 PHE N N 123.7800 0.15 .
145 242 17 LEU H H 7.3600 0.0015 .
146 242 17 LEU HA H 3.8000 0.0015 .
147 242 17 LEU HB2 H 1.9600 0.0015 .
148 242 17 LEU HB3 H 1.5200 0.0015 .
149 242 17 LEU HG H 1.7260 0.0015 .
150 242 17 LEU HD1 H 0.8300 0.0015 .
151 242 17 LEU HD2 H 0.9200 0.0015 .
152 242 17 LEU CA C 57.2500 0.15 .
153 242 17 LEU CB C 41.2000 0.15 .
154 242 17 LEU CG C 26.9600 0.15 .
155 242 17 LEU CD1 C 22.6400 0.15 .
156 242 17 LEU CD2 C 25.3800 0.15 .
157 242 17 LEU N N 116.0000 0.15 .
158 243 18 GLU H H 8.4700 0.0015 .
159 243 18 GLU HA H 4.0030 0.0015 .
160 243 18 GLU HB2 H 2.1000 0.0015 .
161 243 18 GLU HB3 H 2.1000 0.0015 .
162 243 18 GLU HG2 H 2.3580 0.0015 .
163 243 18 GLU HG3 H 2.3250 0.0015 .
164 243 18 GLU CA C 58.9600 0.15 .
165 243 18 GLU CB C 29.1900 0.15 .
166 243 18 GLU CG C 35.7300 0.15 .
167 243 18 GLU N N 120.7100 0.15 .
168 244 19 ARG H H 8.3250 0.0015 .
169 244 19 ARG HA H 4.0260 0.0015 .
170 244 19 ARG HB2 H 1.8800 0.0015 .
171 244 19 ARG HB3 H 1.7600 0.0015 .
172 244 19 ARG HG2 H 1.7700 0.0015 .
173 244 19 ARG HG3 H 1.5100 0.0015 .
174 244 19 ARG HD2 H 3.1900 0.0015 .
175 244 19 ARG HD3 H 3.1900 0.0015 .
176 244 19 ARG CA C 59.1500 0.15 .
177 244 19 ARG CB C 29.3900 0.15 .
178 244 19 ARG CG C 27.6500 0.15 .
179 244 19 ARG CD C 43.1000 0.15 .
180 244 19 ARG N N 121.0000 0.15 .
181 245 20 ARG H H 7.5200 0.0015 .
182 245 20 ARG HA H 3.6800 0.0015 .
183 245 20 ARG HB2 H 1.6800 0.0015 .
184 245 20 ARG HB3 H 1.6800 0.0015 .
185 245 20 ARG HD2 H 2.7770 0.0015 .
186 245 20 ARG HD3 H 2.4030 0.0015 .
187 245 20 ARG HE H 9.0200 0.0015 .
188 245 20 ARG HH11 H 8.34 0.0015 .
189 245 20 ARG HH21 H 8.66 0.0015 .
190 245 20 ARG CA C 58.4000 0.15 .
191 245 20 ARG CB C 29.2000 0.15 .
192 245 20 ARG CD C 42.2000 0.15 .
193 245 20 ARG N N 118.7500 0.15 .
194 245 20 ARG NE N 81.0000 0.15 .
195 246 21 LYS H H 7.8300 0.0015 .
196 246 21 LYS HA H 4.0960 0.0015 .
197 246 21 LYS HB2 H 1.9100 0.0015 .
198 246 21 LYS HG2 H 1.5990 0.0015 .
199 246 21 LYS HG3 H 1.4380 0.0015 .
200 246 21 LYS HD2 H 1.6950 0.0015 .
201 246 21 LYS HD3 H 1.6950 0.0015 .
202 246 21 LYS HE2 H 2.9400 0.0015 .
203 246 21 LYS HE3 H 2.9400 0.0015 .
204 246 21 LYS CA C 59.0800 0.15 .
205 246 21 LYS CB C 32.1500 0.15 .
206 246 21 LYS CG C 24.8000 0.15 .
207 246 21 LYS CD C 29.1300 0.15 .
208 246 21 LYS N N 119.0000 0.15 .
209 247 22 SER H H 8.0000 0.0015 .
210 247 22 SER HA H 4.2600 0.0015 .
211 247 22 SER HB2 H 4.0000 0.0015 .
212 247 22 SER HB3 H 4.0000 0.0015 .
213 247 22 SER CA C 60.8500 0.15 .
214 247 22 SER CB C 62.7400 0.15 .
215 247 22 SER N N 115.0000 0.15 .
216 248 23 GLN H H 7.5900 0.0015 .
217 248 23 GLN HA H 4.1450 0.0015 .
218 248 23 GLN HB2 H 2.1600 0.0015 .
219 248 23 GLN HB3 H 2.0700 0.0015 .
220 248 23 GLN HG2 H 2.6100 0.0015 .
221 248 23 GLN HG3 H 2.3900 0.0015 .
222 248 23 GLN HE21 H 7.5800 0.0015 .
223 248 23 GLN HE22 H 6.7700 0.0015 .
224 248 23 GLN CA C 56.8500 0.15 .
225 248 23 GLN CB C 28.7400 0.15 .
226 248 23 GLN CG C 33.4500 0.15 .
227 248 23 GLN N N 119.3000 0.15 .
228 248 23 GLN NE2 N 110.6000 0.15 .
229 249 24 VAL H H 7.4000 0.0015 .
230 249 24 VAL HA H 3.4800 0.0015 .
231 249 24 VAL HB H 2.1300 0.0015 .
232 249 24 VAL HG1 H 1.0800 0.0015 .
233 249 24 VAL HG2 H 0.8780 0.0015 .
234 249 24 VAL CA C 65.9401 0.15 .
235 249 24 VAL CB C 31.5800 0.15 .
236 249 24 VAL CG1 C 22.8800 0.15 .
237 249 24 VAL CG2 C 21.2500 0.15 .
238 249 24 VAL N N 118.2000 0.15 .
239 250 25 ALA H H 7.7900 0.0015 .
240 250 25 ALA HA H 4.1900 0.0015 .
241 250 25 ALA HB H 1.4770 0.0015 .
242 250 25 ALA CA C 53.8300 0.15 .
243 250 25 ALA CB C 18.4400 0.15 .
244 250 25 ALA N N 120.3000 0.15 .
245 251 26 GLU H H 7.6300 0.0015 .
246 251 26 GLU HA H 4.3700 0.0015 .
247 251 26 GLU HB2 H 2.2490 0.0015 .
248 251 26 GLU HB3 H 1.9530 0.0015 .
249 251 26 GLU HG2 H 2.2700 0.0015 .
250 251 26 GLU HG3 H 2.2700 0.0015 .
251 251 26 GLU CA C 55.4700 0.15 .
252 251 26 GLU CB C 30.1500 0.15 .
253 251 26 GLU CG C 36.0400 0.15 .
254 251 26 GLU N N 114.2500 0.15 .
255 252 27 LEU H H 7.4800 0.0015 .
256 252 27 LEU HA H 4.3100 0.0015 .
257 252 27 LEU HB2 H 1.7700 0.0015 .
258 252 27 LEU HB3 H 1.5100 0.0015 .
259 252 27 LEU HG H 1.8500 0.0015 .
260 252 27 LEU HD1 H 0.8430 0.0015 .
261 252 27 LEU HD2 H 0.8350 0.0015 .
262 252 27 LEU CA C 54.9100 0.15 .
263 252 27 LEU CB C 42.1000 0.15 .
264 252 27 LEU CG C 25.9200 0.15 .
265 252 27 LEU CD1 C 25.7800 0.15 .
266 252 27 LEU CD2 C 22.6500 0.15 .
267 252 27 LEU N N 120.3000 0.15 .
268 253 28 ASN H H 8.7500 0.0015 .
269 253 28 ASN HA H 4.8520 0.0015 .
270 253 28 ASN HB2 H 2.8980 0.0015 .
271 253 28 ASN HB3 H 2.8100 0.0015 .
272 253 28 ASN HD21 H 7.7700 0.0015 .
273 253 28 ASN HD22 H 6.9900 0.0015 .
274 253 28 ASN CA C 52.1400 0.15 .
275 253 28 ASN CB C 39.6400 0.15 .
276 253 28 ASN N N 120.1000 0.15 .
277 253 28 ASN ND2 N 113.7000 0.15 .
278 254 29 ASP H H 8.8100 0.0015 .
279 254 29 ASP HA H 4.4900 0.0015 .
280 254 29 ASP HB2 H 2.7040 0.0015 .
281 254 29 ASP HB3 H 2.6050 0.0015 .
282 254 29 ASP CA C 55.8000 0.15 .
283 254 29 ASP CB C 40.7000 0.15 .
284 254 29 ASP N N 122.8000 0.15 .
285 255 30 ASP H H 8.3600 0.0015 .
286 255 30 ASP HA H 4.6050 0.0015 .
287 255 30 ASP HB2 H 2.7000 0.0015 .
288 255 30 ASP HB3 H 2.6400 0.0015 .
289 255 30 ASP CA C 54.2000 0.15 .
290 255 30 ASP CB C 40.6500 0.15 .
291 255 30 ASP N N 117.1000 0.15 .
292 256 31 ASP H H 7.7800 0.0015 .
293 256 31 ASP HA H 4.5700 0.0015 .
294 256 31 ASP HB2 H 2.7900 0.0015 .
295 256 31 ASP HB3 H 2.7400 0.0015 .
296 256 31 ASP CA C 54.7000 0.15 .
297 256 31 ASP CB C 41.1700 0.15 .
298 256 31 ASP N N 119.9000 0.15 .
299 257 32 LYS H H 8.5280 0.0015 .
300 257 32 LYS HA H 4.2300 0.0015 .
301 257 32 LYS HB2 H 1.8200 0.0015 .
302 257 32 LYS HB3 H 1.8200 0.0015 .
303 257 32 LYS HG2 H 1.4800 0.0015 .
304 257 32 LYS HG3 H 1.4300 0.0015 .
305 257 32 LYS HD2 H 1.7200 0.0015 .
306 257 32 LYS HD3 H 1.7200 0.0015 .
307 257 32 LYS HE2 H 3.0590 0.0015 .
308 257 32 LYS HE3 H 3.0590 0.0015 .
309 257 32 LYS CA C 56.2000 0.15 .
310 257 32 LYS CB C 32.5500 0.15 .
311 257 32 LYS CG C 24.5000 0.15 .
312 257 32 LYS CD C 28.9000 0.15 .
313 257 32 LYS CE C 41.9000 0.15 .
314 257 32 LYS N N 122.5200 0.15 .
315 258 33 ASP H H 8.7400 0.0015 .
316 258 33 ASP HA H 4.7300 0.0015 .
317 258 33 ASP HB2 H 3.1000 0.0015 .
318 258 33 ASP HB3 H 2.5400 0.0015 .
319 258 33 ASP CA C 52.8000 0.15 .
320 258 33 ASP CB C 40.7000 0.15 .
321 258 33 ASP N N 123.6000 0.15 .
322 259 34 ASP H H 8.5400 0.0015 .
323 259 34 ASP HA H 4.6000 0.0015 .
324 259 34 ASP HB2 H 2.7400 0.0015 .
325 259 34 ASP HB3 H 2.6700 0.0015 .
326 259 34 ASP CA C 54.3000 0.15 .
327 259 34 ASP CB C 41.0100 0.15 .
328 259 34 ASP N N 122.8500 0.15 .
329 260 35 GLU H H 7.9600 0.0015 .
330 260 35 GLU HA H 4.1700 0.0015 .
331 260 35 GLU HB2 H 2.0800 0.0015 .
332 260 35 GLU HB3 H 1.9800 0.0015 .
333 260 35 GLU HG2 H 2.2700 0.0015 .
334 260 35 GLU HG3 H 2.2300 0.0015 .
335 260 35 GLU CA C 58.0300 0.15 .
336 260 35 GLU CB C 30.8000 0.15 .
337 260 35 GLU CG C 36.9000 0.15 .
338 260 35 GLU N N 116.4000 0.15 .
339 261 36 ILE H H 7.1300 0.0015 .
340 261 36 ILE HA H 5.0300 0.0015 .
341 261 36 ILE HB H 1.7600 0.0015 .
342 261 36 ILE HG12 H 1.5020 0.0015 .
343 261 36 ILE HG13 H 1.3300 0.0015 .
344 261 36 ILE HG2 H 0.5900 0.0015 .
345 261 36 ILE HD1 H 0.8230 0.0015 .
346 261 36 ILE CA C 58.4800 0.15 .
347 261 36 ILE CB C 37.8300 0.15 .
348 261 36 ILE CG1 C 27.4000 0.15 .
349 261 36 ILE CG2 C 17.9000 0.15 .
350 261 36 ILE CD1 C 12.5000 0.15 .
351 261 36 ILE N N 116.1000 0.15 .
352 262 37 VAL H H 9.1200 0.0015 .
353 262 37 VAL HA H 4.2220 0.0015 .
354 262 37 VAL HB H 1.8560 0.0015 .
355 262 37 VAL HG1 H 0.9230 0.0015 .
356 262 37 VAL HG2 H 0.8500 0.0015 .
357 262 37 VAL CA C 60.4000 0.15 .
358 262 37 VAL CB C 35.1500 0.15 .
359 262 37 VAL CG1 C 21.1000 0.15 .
360 262 37 VAL CG2 C 20.4000 0.15 .
361 262 37 VAL N N 127.0500 0.15 .
362 263 38 PHE H H 8.8700 0.0015 .
363 263 38 PHE HA H 5.3700 0.0015 .
364 263 38 PHE HB2 H 3.3600 0.0015 .
365 263 38 PHE HB3 H 3.1600 0.0015 .
366 263 38 PHE HD1 H 7.2100 0.0015 .
367 263 38 PHE HD2 H 7.2100 0.0015 .
368 263 38 PHE HE1 H 7.20 0.0015 .
369 263 38 PHE HE2 H 7.20 0.0015 .
370 263 38 PHE HZ H 7.3800 0.0015 .
371 263 38 PHE CA C 54.1000 0.15 .
372 263 38 PHE CB C 39.5000 0.15 .
373 263 38 PHE CD1 C 130.7000 0.15 .
374 263 38 PHE CD2 C 130.7000 0.15 .
375 263 38 PHE CZ C 128.9600 0.15 .
376 263 38 PHE N N 126.3000 0.15 .
377 264 39 LYS H H 8.9600 0.0015 .
378 264 39 LYS HA H 4.3140 0.0015 .
379 264 39 LYS HB2 H 2.1380 0.0015 .
380 264 39 LYS HB3 H 2.0220 0.0015 .
381 264 39 LYS HG2 H 1.5800 0.0015 .
382 264 39 LYS HG3 H 1.4500 0.0015 .
383 264 39 LYS HD2 H 1.6770 0.0015 .
384 264 39 LYS HD3 H 1.6770 0.0015 .
385 264 39 LYS HE2 H 2.9200 0.0015 .
386 264 39 LYS HE3 H 3.01 0.0015 .
387 264 39 LYS CA C 57.2000 0.15 .
388 264 39 LYS CB C 33.2500 0.15 .
389 264 39 LYS CG C 24.7600 0.15 .
390 264 39 LYS CD C 29.2000 0.15 .
391 264 39 LYS CE C 41.9000 0.15 .
392 264 39 LYS N N 126.0000 0.15 .
393 265 40 GLN H H 8.6200 0.0015 .
394 265 40 GLN HA H 4.6970 0.0015 .
395 265 40 GLN HB2 H 2.1400 0.0015 .
396 265 40 GLN HB3 H 2.0000 0.0015 .
397 265 40 GLN HG2 H 2.4800 0.0015 .
398 265 40 GLN HG3 H 2.4800 0.0015 .
399 265 40 GLN HE21 H 7.6000 0.0015 .
400 265 40 GLN HE22 H 6.9400 0.0015 .
401 265 40 GLN CA C 53.3800 0.15 .
402 265 40 GLN CB C 28.8500 0.15 .
403 265 40 GLN CG C 33.3900 0.15 .
404 265 40 GLN N N 123.5400 0.15 .
405 265 40 GLN NE2 N 112.0000 0.15 .
406 266 41 PRO HA H 4.5400 0.0015 .
407 266 41 PRO HB2 H 2.3200 0.0015 .
408 266 41 PRO HB3 H 1.9300 0.0015 .
409 266 41 PRO HG2 H 2.02 0.0015 .
410 266 41 PRO HD2 H 3.8820 0.0015 .
411 266 41 PRO HD3 H 3.6540 0.0015 .
412 266 41 PRO CA C 62.7000 0.15 .
413 266 41 PRO CB C 32.0000 0.15 .
414 266 41 PRO CG C 27.6 0.15 .
415 266 41 PRO CD C 50.5300 0.15 .
416 267 42 ILE H H 8.3500 0.0015 .
417 267 42 ILE HA H 4.1900 0.0015 .
418 267 42 ILE HB H 1.8980 0.0015 .
419 267 42 ILE HG12 H 1.5100 0.0015 .
420 267 42 ILE HG13 H 1.2500 0.0015 .
421 267 42 ILE HG2 H 0.9310 0.0015 .
422 267 42 ILE HD1 H 0.8300 0.0015 .
423 267 42 ILE CA C 61.0500 0.15 .
424 267 42 ILE CB C 38.5500 0.15 .
425 267 42 ILE CG1 C 27.0900 0.15 .
426 267 42 ILE CG2 C 17.5700 0.15 .
427 267 42 ILE CD1 C 12.7600 0.15 .
428 267 42 ILE N N 120.7900 0.15 .
429 268 43 SER H H 8.4100 0.0015 .
430 268 43 SER HA H 4.4800 0.0015 .
431 268 43 SER HB2 H 3.8950 0.0015 .
432 268 43 SER HB3 H 3.8440 0.0015 .
433 268 43 SER CA C 58.0300 0.15 .
434 268 43 SER CB C 63.6000 0.15 .
435 268 43 SER N N 118.9000 0.15 .
436 269 44 CYS H H 8.4280 0.0015 .
437 269 44 CYS HA H 4.5230 0.0015 .
438 269 44 CYS HB2 H 2.9270 0.0015 .
439 269 44 CYS HB3 H 2.9270 0.0015 .
440 269 44 CYS CA C 58.3600 0.15 .
441 269 44 CYS CB C 27.8000 0.15 .
442 269 44 CYS N N 121.4400 0.15 .
stop_
save_