data_11303
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
An extended conformation of the RWD domain of human Ring finger protein 25
;
_BMRB_accession_number 11303
_BMRB_flat_file_name bmr11303.str
_Entry_type original
_Submission_date 2010-08-09
_Accession_date 2010-08-09
_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 Yoneyama M. . .
2 Tochio N. . .
3 Koshiba S. . .
4 Watabe S. . .
5 Harada T. . .
6 Kigawa T. . .
7 Yokoyama S. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 743
"13C chemical shifts" 567
"15N chemical shifts" 129
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-08-19 original author .
stop_
_Original_release_date 2011-08-19
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'An extended conformation of the RWD domain of human Ring finger protein 25'
_Citation_status 'in preparation'
_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 Yoneyama M. . .
2 Tochio N. . .
3 Koshiba S. . .
4 Watabe S. . .
5 Harada T. . .
6 Kigawa T. . .
7 Yokoyama S. . .
stop_
_Journal_abbreviation .
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'RING finger protein 25'
_Enzyme_commission_number E.C.6.3.2.-
loop_
_Mol_system_component_name
_Mol_label
'RWD domain' $entity_1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'RWD domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 137
_Mol_residue_sequence
;
GSSGSSGEEDWVLPSEVEVL
ESIYLDELQVIKGNGRTSPW
EIYITLHPATAEDQDSQYVC
FTLVLQVPAEYPHEVPQISI
RNPRGLSDEQIHTILQVLGH
VAKAGLGTAMLYELIEKGKE
ILTDNNIPHGQSGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 GLU 9 GLU 10 ASP
11 TRP 12 VAL 13 LEU 14 PRO 15 SER
16 GLU 17 VAL 18 GLU 19 VAL 20 LEU
21 GLU 22 SER 23 ILE 24 TYR 25 LEU
26 ASP 27 GLU 28 LEU 29 GLN 30 VAL
31 ILE 32 LYS 33 GLY 34 ASN 35 GLY
36 ARG 37 THR 38 SER 39 PRO 40 TRP
41 GLU 42 ILE 43 TYR 44 ILE 45 THR
46 LEU 47 HIS 48 PRO 49 ALA 50 THR
51 ALA 52 GLU 53 ASP 54 GLN 55 ASP
56 SER 57 GLN 58 TYR 59 VAL 60 CYS
61 PHE 62 THR 63 LEU 64 VAL 65 LEU
66 GLN 67 VAL 68 PRO 69 ALA 70 GLU
71 TYR 72 PRO 73 HIS 74 GLU 75 VAL
76 PRO 77 GLN 78 ILE 79 SER 80 ILE
81 ARG 82 ASN 83 PRO 84 ARG 85 GLY
86 LEU 87 SER 88 ASP 89 GLU 90 GLN
91 ILE 92 HIS 93 THR 94 ILE 95 LEU
96 GLN 97 VAL 98 LEU 99 GLY 100 HIS
101 VAL 102 ALA 103 LYS 104 ALA 105 GLY
106 LEU 107 GLY 108 THR 109 ALA 110 MET
111 LEU 112 TYR 113 GLU 114 LEU 115 ILE
116 GLU 117 LYS 118 GLY 119 LYS 120 GLU
121 ILE 122 LEU 123 THR 124 ASP 125 ASN
126 ASN 127 ILE 128 PRO 129 HIS 130 GLY
131 GLN 132 SER 133 GLY 134 PRO 135 SER
136 SER 137 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
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
PDB 2DMF "An Extended Conformation Of The Rwd Domain Of Human Ring Finger Protein 25" 100.00 137 100.00 100.00 5.63e-93
DBJ BAD96245 "ring finger protein 25 variant [Homo sapiens]" 94.89 459 96.92 99.23 6.24e-83
DBJ BAF82190 "unnamed protein product [Homo sapiens]" 94.89 459 96.92 99.23 6.38e-83
DBJ BAI45678 "ring finger protein 25 [synthetic construct]" 94.89 459 96.92 99.23 6.38e-83
GB AAH15612 "Ring finger protein 25 [Homo sapiens]" 94.89 459 96.92 99.23 6.38e-83
GB ADZ15417 "ring finger protein 25 [synthetic construct]" 94.89 459 96.92 99.23 6.38e-83
GB AIC52126 "RNF25, partial [synthetic construct]" 94.89 459 96.92 99.23 6.38e-83
GB EAW70645 "ring finger protein 25, isoform CRA_e [Homo sapiens]" 94.89 459 96.92 99.23 6.38e-83
GB EHH21677 "hypothetical protein EGK_04800 [Macaca mulatta]" 91.97 459 97.62 97.62 3.03e-80
REF NP_071898 "E3 ubiquitin-protein ligase RNF25 [Homo sapiens]" 94.89 459 96.92 99.23 6.38e-83
REF XP_002749840 "PREDICTED: E3 ubiquitin-protein ligase RNF25 [Callithrix jacchus]" 91.97 457 98.41 98.41 8.52e-81
REF XP_003818674 "PREDICTED: E3 ubiquitin-protein ligase RNF25 isoform X1 [Pan paniscus]" 94.89 459 96.92 99.23 5.55e-83
REF XP_003908009 "PREDICTED: E3 ubiquitin-protein ligase RNF25 [Papio anubis]" 91.97 459 97.62 97.62 3.16e-80
REF XP_003925575 "PREDICTED: E3 ubiquitin-protein ligase RNF25 isoform X1 [Saimiri boliviensis boliviensis]" 91.97 457 97.62 98.41 4.97e-80
SP Q96BH1 "RecName: Full=E3 ubiquitin-protein ligase RNF25; AltName: Full=RING finger protein 25" 94.89 459 96.92 99.23 6.38e-83
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plamid P051212-01
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
0.94mM RWD domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;}
1mM {d-DTT;} 0.02% {NaN3;} 10% D2O, 90% H2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 0.94 mM '[U-13C; U-15N]'
d-Tris-HCl 20 mM 'natural abundance'
NaCl 100 mM 'natural abundance'
d-DTT 1 mM 'natural abundance'
NaN3 0.02 % 'natural abundance'
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Saveframe_category software
_Name xwinnmr
_Version 3.5
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 20030801
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_NMRVIEW
_Saveframe_category software
_Name NMRView
_Version 5.0.4
loop_
_Vendor
_Address
_Electronic_address
'Johnson, B. A.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_Kujira
_Saveframe_category software
_Name Kujira
_Version 0.9736
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.0.17
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
refinement
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 120 0.1 mM
pH 7.0 0.05 pH
pressure 1 0.001 atm
temperature 296 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Saveframe_category chemical_shift_reference
_Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
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 . 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_chemical_shift_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$XWINNMR
$NMRPipe
$NMRVIEW
$Kujira
$CYANA
stop_
loop_
_Experiment_label
'3D 15N-separated NOESY'
'3D 13C-separated NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $reference_1
_Mol_system_component_name 'RWD domain'
_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 7 7 GLY H H 8.485 0.030 1
2 7 7 GLY HA2 H 4.007 0.030 1
3 7 7 GLY HA3 H 4.007 0.030 1
4 7 7 GLY C C 174.391 0.300 1
5 7 7 GLY CA C 45.433 0.300 1
6 7 7 GLY N N 110.992 0.300 1
7 8 8 GLU H H 8.343 0.030 1
8 8 8 GLU HA H 4.310 0.030 1
9 8 8 GLU HB2 H 2.107 0.030 2
10 8 8 GLU HB3 H 1.969 0.030 2
11 8 8 GLU HG2 H 2.271 0.030 1
12 8 8 GLU HG3 H 2.271 0.030 1
13 8 8 GLU C C 176.830 0.300 1
14 8 8 GLU CA C 56.829 0.300 1
15 8 8 GLU CB C 30.252 0.300 1
16 8 8 GLU CG C 36.370 0.300 1
17 8 8 GLU N N 120.484 0.300 1
18 9 9 GLU H H 8.625 0.030 1
19 9 9 GLU HA H 4.296 0.030 1
20 9 9 GLU HB2 H 2.045 0.030 1
21 9 9 GLU HB3 H 2.045 0.030 1
22 9 9 GLU C C 176.454 0.300 1
23 9 9 GLU CA C 56.854 0.300 1
24 9 9 GLU CB C 30.197 0.300 1
25 9 9 GLU CG C 36.365 0.300 1
26 9 9 GLU N N 121.418 0.300 1
27 10 10 ASP H H 8.427 0.030 1
28 10 10 ASP HA H 4.658 0.030 1
29 10 10 ASP HB2 H 2.729 0.030 2
30 10 10 ASP HB3 H 2.664 0.030 2
31 10 10 ASP C C 175.860 0.300 1
32 10 10 ASP CA C 54.328 0.300 1
33 10 10 ASP CB C 41.120 0.300 1
34 10 10 ASP N N 121.674 0.300 1
35 11 11 TRP H H 8.422 0.030 1
36 11 11 TRP HA H 5.133 0.030 1
37 11 11 TRP HB2 H 3.367 0.030 2
38 11 11 TRP HB3 H 3.105 0.030 2
39 11 11 TRP HD1 H 7.709 0.030 1
40 11 11 TRP HE1 H 10.476 0.030 1
41 11 11 TRP HE3 H 7.501 0.030 1
42 11 11 TRP HH2 H 6.917 0.030 1
43 11 11 TRP HZ2 H 7.393 0.030 1
44 11 11 TRP HZ3 H 7.065 0.030 1
45 11 11 TRP C C 177.620 0.300 1
46 11 11 TRP CA C 54.712 0.300 1
47 11 11 TRP CB C 30.642 0.300 1
48 11 11 TRP CD1 C 125.079 0.300 1
49 11 11 TRP CE3 C 120.447 0.300 1
50 11 11 TRP CH2 C 125.683 0.300 1
51 11 11 TRP CZ2 C 115.775 0.300 1
52 11 11 TRP CZ3 C 122.450 0.300 1
53 11 11 TRP N N 123.712 0.300 1
54 11 11 TRP NE1 N 130.052 0.300 1
55 12 12 VAL H H 8.679 0.030 1
56 12 12 VAL HA H 4.025 0.030 1
57 12 12 VAL HB H 2.205 0.030 1
58 12 12 VAL HG1 H 0.957 0.030 1
59 12 12 VAL HG2 H 0.957 0.030 1
60 12 12 VAL C C 176.187 0.300 1
61 12 12 VAL CA C 63.686 0.300 1
62 12 12 VAL CB C 32.765 0.300 1
63 12 12 VAL CG1 C 20.668 0.300 1
64 12 12 VAL CG2 C 20.668 0.300 1
65 12 12 VAL N N 124.672 0.300 1
66 13 13 LEU H H 5.455 0.030 1
67 13 13 LEU HA H 3.996 0.030 1
68 13 13 LEU HB2 H 0.097 0.030 2
69 13 13 LEU HB3 H -0.585 0.030 2
70 13 13 LEU HD1 H 0.149 0.030 1
71 13 13 LEU HD2 H -0.540 0.030 1
72 13 13 LEU HG H 0.125 0.030 1
73 13 13 LEU CA C 58.169 0.300 1
74 13 13 LEU CB C 37.588 0.300 1
75 13 13 LEU CD1 C 24.255 0.300 2
76 13 13 LEU CD2 C 26.134 0.300 2
77 13 13 LEU CG C 26.345 0.300 1
78 13 13 LEU N N 118.647 0.300 1
79 14 14 PRO HA H 3.937 0.030 1
80 14 14 PRO HB2 H 2.451 0.030 2
81 14 14 PRO HB3 H 1.914 0.030 2
82 14 14 PRO HD2 H 3.184 0.030 2
83 14 14 PRO HD3 H 2.241 0.030 2
84 14 14 PRO HG2 H 2.162 0.030 2
85 14 14 PRO HG3 H 1.648 0.030 2
86 14 14 PRO C C 179.756 0.300 1
87 14 14 PRO CA C 66.769 0.300 1
88 14 14 PRO CB C 30.614 0.300 1
89 14 14 PRO CD C 48.532 0.300 1
90 14 14 PRO CG C 28.528 0.300 1
91 15 15 SER H H 7.761 0.030 1
92 15 15 SER HA H 4.268 0.030 1
93 15 15 SER HB2 H 3.932 0.030 1
94 15 15 SER HB3 H 3.932 0.030 1
95 15 15 SER C C 176.382 0.300 1
96 15 15 SER CA C 61.325 0.300 1
97 15 15 SER CB C 62.550 0.300 1
98 15 15 SER N N 112.336 0.300 1
99 16 16 GLU H H 8.057 0.030 1
100 16 16 GLU HA H 3.989 0.030 1
101 16 16 GLU HB2 H 2.211 0.030 2
102 16 16 GLU HB3 H 2.002 0.030 2
103 16 16 GLU HG2 H 2.315 0.030 2
104 16 16 GLU HG3 H 1.993 0.030 2
105 16 16 GLU C C 179.574 0.300 1
106 16 16 GLU CA C 59.854 0.300 1
107 16 16 GLU CB C 30.051 0.300 1
108 16 16 GLU CG C 36.448 0.300 1
109 16 16 GLU N N 125.790 0.300 1
110 17 17 VAL H H 8.609 0.030 1
111 17 17 VAL HA H 3.445 0.030 1
112 17 17 VAL HB H 2.228 0.030 1
113 17 17 VAL HG1 H 1.067 0.030 1
114 17 17 VAL HG2 H 0.906 0.030 1
115 17 17 VAL C C 176.916 0.300 1
116 17 17 VAL CA C 67.135 0.300 1
117 17 17 VAL CB C 31.283 0.300 1
118 17 17 VAL CG1 C 23.053 0.300 2
119 17 17 VAL CG2 C 24.650 0.300 2
120 17 17 VAL N N 118.794 0.300 1
121 18 18 GLU H H 7.735 0.030 1
122 18 18 GLU HA H 4.235 0.030 1
123 18 18 GLU HB2 H 2.228 0.030 2
124 18 18 GLU HB3 H 2.125 0.030 2
125 18 18 GLU HG2 H 2.509 0.030 2
126 18 18 GLU HG3 H 2.265 0.030 2
127 18 18 GLU C C 180.217 0.300 1
128 18 18 GLU CA C 59.886 0.300 1
129 18 18 GLU CB C 29.554 0.300 1
130 18 18 GLU CG C 36.752 0.300 1
131 18 18 GLU N N 119.872 0.300 1
132 19 19 VAL H H 7.577 0.030 1
133 19 19 VAL HA H 3.693 0.030 1
134 19 19 VAL HB H 2.298 0.030 1
135 19 19 VAL HG1 H 0.830 0.030 1
136 19 19 VAL HG2 H 1.060 0.030 1
137 19 19 VAL C C 179.962 0.300 1
138 19 19 VAL CA C 66.579 0.300 1
139 19 19 VAL CB C 31.299 0.300 1
140 19 19 VAL CG1 C 21.208 0.300 2
141 19 19 VAL CG2 C 22.632 0.300 2
142 19 19 VAL N N 120.217 0.300 1
143 20 20 LEU H H 8.348 0.030 1
144 20 20 LEU HA H 4.056 0.030 1
145 20 20 LEU HB2 H 2.195 0.030 2
146 20 20 LEU HB3 H 1.557 0.030 2
147 20 20 LEU HD1 H 0.881 0.030 1
148 20 20 LEU HD2 H 1.052 0.030 1
149 20 20 LEU HG H 2.224 0.030 1
150 20 20 LEU C C 179.719 0.300 1
151 20 20 LEU CA C 58.388 0.300 1
152 20 20 LEU CB C 42.388 0.300 1
153 20 20 LEU CD1 C 26.479 0.300 2
154 20 20 LEU CD2 C 22.912 0.300 2
155 20 20 LEU CG C 26.215 0.300 1
156 20 20 LEU N N 120.722 0.300 1
157 21 21 GLU H H 9.078 0.030 1
158 21 21 GLU HA H 3.992 0.030 1
159 21 21 GLU HB2 H 2.276 0.030 2
160 21 21 GLU HB3 H 2.007 0.030 2
161 21 21 GLU HG2 H 2.551 0.030 2
162 21 21 GLU HG3 H 2.214 0.030 2
163 21 21 GLU C C 179.209 0.300 1
164 21 21 GLU CA C 60.117 0.300 1
165 21 21 GLU CB C 30.002 0.300 1
166 21 21 GLU CG C 37.817 0.300 1
167 21 21 GLU N N 119.565 0.300 1
168 22 22 SER H H 7.539 0.030 1
169 22 22 SER HA H 4.351 0.030 1
170 22 22 SER HB2 H 4.025 0.030 1
171 22 22 SER HB3 H 4.025 0.030 1
172 22 22 SER C C 174.149 0.300 1
173 22 22 SER CA C 60.688 0.300 1
174 22 22 SER CB C 63.692 0.300 1
175 22 22 SER N N 114.323 0.300 1
176 23 23 ILE H H 7.402 0.030 1
177 23 23 ILE HA H 3.791 0.030 1
178 23 23 ILE HB H 1.332 0.030 1
179 23 23 ILE HD1 H 0.519 0.030 1
180 23 23 ILE HG12 H 1.567 0.030 2
181 23 23 ILE HG13 H 0.765 0.030 2
182 23 23 ILE HG2 H 0.134 0.030 1
183 23 23 ILE C C 177.304 0.300 1
184 23 23 ILE CA C 63.780 0.300 1
185 23 23 ILE CB C 40.147 0.300 1
186 23 23 ILE CD1 C 14.046 0.300 1
187 23 23 ILE CG1 C 27.800 0.300 1
188 23 23 ILE CG2 C 16.009 0.300 1
189 23 23 ILE N N 121.887 0.300 1
190 24 24 TYR H H 8.265 0.030 1
191 24 24 TYR HA H 4.489 0.030 1
192 24 24 TYR HB2 H 3.069 0.030 2
193 24 24 TYR HB3 H 2.586 0.030 2
194 24 24 TYR HD1 H 7.153 0.030 1
195 24 24 TYR HD2 H 7.153 0.030 1
196 24 24 TYR HE1 H 6.628 0.030 1
197 24 24 TYR HE2 H 6.628 0.030 1
198 24 24 TYR C C 176.138 0.300 1
199 24 24 TYR CA C 59.017 0.300 1
200 24 24 TYR CB C 40.155 0.300 1
201 24 24 TYR CD1 C 132.595 0.300 1
202 24 24 TYR CD2 C 132.595 0.300 1
203 24 24 TYR CE1 C 117.751 0.300 1
204 24 24 TYR CE2 C 117.751 0.300 1
205 24 24 TYR N N 116.806 0.300 1
206 25 25 LEU H H 7.959 0.030 1
207 25 25 LEU HA H 4.177 0.030 1
208 25 25 LEU HB2 H 2.087 0.030 2
209 25 25 LEU HB3 H 1.578 0.030 2
210 25 25 LEU HD1 H 0.943 0.030 1
211 25 25 LEU HD2 H 0.934 0.030 1
212 25 25 LEU HG H 1.508 0.030 1
213 25 25 LEU C C 177.486 0.300 1
214 25 25 LEU CA C 56.010 0.300 1
215 25 25 LEU CB C 39.641 0.300 1
216 25 25 LEU CD1 C 25.708 0.300 2
217 25 25 LEU CD2 C 23.019 0.300 2
218 25 25 LEU CG C 27.063 0.300 1
219 25 25 LEU N N 119.666 0.300 1
220 26 26 ASP H H 8.278 0.030 1
221 26 26 ASP HA H 4.526 0.030 1
222 26 26 ASP HB2 H 2.779 0.030 1
223 26 26 ASP HB3 H 2.779 0.030 1
224 26 26 ASP C C 176.770 0.300 1
225 26 26 ASP CA C 55.684 0.300 1
226 26 26 ASP CB C 40.161 0.300 1
227 26 26 ASP N N 118.796 0.300 1
228 27 27 GLU H H 7.883 0.030 1
229 27 27 GLU HA H 4.246 0.030 1
230 27 27 GLU HB2 H 2.346 0.030 2
231 27 27 GLU HB3 H 2.101 0.030 2
232 27 27 GLU HG2 H 2.524 0.030 2
233 27 27 GLU HG3 H 2.300 0.030 2
234 27 27 GLU C C 176.005 0.300 1
235 27 27 GLU CA C 57.669 0.300 1
236 27 27 GLU CB C 30.071 0.300 1
237 27 27 GLU CG C 37.177 0.300 1
238 27 27 GLU N N 116.370 0.300 1
239 28 28 LEU H H 7.531 0.030 1
240 28 28 LEU HA H 4.603 0.030 1
241 28 28 LEU HB2 H 2.010 0.030 2
242 28 28 LEU HB3 H 1.223 0.030 2
243 28 28 LEU HD1 H 0.688 0.030 1
244 28 28 LEU HD2 H 0.780 0.030 1
245 28 28 LEU HG H 1.392 0.030 1
246 28 28 LEU C C 174.938 0.300 1
247 28 28 LEU CA C 54.179 0.300 1
248 28 28 LEU CB C 45.075 0.300 1
249 28 28 LEU CD1 C 25.485 0.300 2
250 28 28 LEU CD2 C 27.570 0.300 2
251 28 28 LEU CG C 27.074 0.300 1
252 28 28 LEU N N 120.891 0.300 1
253 29 29 GLN H H 8.702 0.030 1
254 29 29 GLN HA H 4.580 0.030 1
255 29 29 GLN HB2 H 1.638 0.030 2
256 29 29 GLN HB3 H 1.229 0.030 2
257 29 29 GLN HE21 H 7.075 0.030 2
258 29 29 GLN HE22 H 6.688 0.030 2
259 29 29 GLN HG2 H 2.150 0.030 2
260 29 29 GLN HG3 H 2.064 0.030 2
261 29 29 GLN C C 174.027 0.300 1
262 29 29 GLN CA C 54.439 0.300 1
263 29 29 GLN CB C 30.392 0.300 1
264 29 29 GLN CG C 33.768 0.300 1
265 29 29 GLN N N 126.073 0.300 1
266 29 29 GLN NE2 N 112.370 0.300 1
267 30 30 VAL H H 8.473 0.030 1
268 30 30 VAL HA H 4.830 0.030 1
269 30 30 VAL HB H 1.919 0.030 1
270 30 30 VAL HG1 H 0.833 0.030 1
271 30 30 VAL HG2 H 0.889 0.030 1
272 30 30 VAL C C 175.362 0.300 1
273 30 30 VAL CA C 60.737 0.300 1
274 30 30 VAL CB C 34.881 0.300 1
275 30 30 VAL CG1 C 21.434 0.300 2
276 30 30 VAL CG2 C 21.453 0.300 2
277 30 30 VAL N N 122.609 0.300 1
278 31 31 ILE H H 9.650 0.030 1
279 31 31 ILE HA H 4.182 0.030 1
280 31 31 ILE HB H 1.986 0.030 1
281 31 31 ILE HD1 H 0.832 0.030 1
282 31 31 ILE HG12 H 1.482 0.030 2
283 31 31 ILE HG13 H 1.135 0.030 2
284 31 31 ILE HG2 H 0.795 0.030 1
285 31 31 ILE C C 175.812 0.300 1
286 31 31 ILE CA C 60.351 0.300 1
287 31 31 ILE CB C 37.838 0.300 1
288 31 31 ILE CD1 C 12.787 0.300 1
289 31 31 ILE CG1 C 27.056 0.300 1
290 31 31 ILE CG2 C 17.490 0.300 1
291 31 31 ILE N N 130.493 0.300 1
292 32 32 LYS H H 8.416 0.030 1
293 32 32 LYS HA H 2.826 0.030 1
294 32 32 LYS HB2 H 1.081 0.030 2
295 32 32 LYS HB3 H 0.642 0.030 2
296 32 32 LYS HD2 H 1.279 0.030 1
297 32 32 LYS HD3 H 1.279 0.030 1
298 32 32 LYS HE2 H 2.725 0.030 1
299 32 32 LYS HE3 H 2.725 0.030 1
300 32 32 LYS HG2 H 0.787 0.030 2
301 32 32 LYS HG3 H -0.036 0.030 2
302 32 32 LYS C C 176.794 0.300 1
303 32 32 LYS CA C 56.657 0.300 1
304 32 32 LYS CB C 32.658 0.300 1
305 32 32 LYS CD C 29.427 0.300 1
306 32 32 LYS CE C 42.030 0.300 1
307 32 32 LYS CG C 25.633 0.300 1
308 32 32 LYS N N 127.182 0.300 1
309 33 33 GLY H H 5.195 0.030 1
310 33 33 GLY HA2 H 3.964 0.030 2
311 33 33 GLY HA3 H 3.529 0.030 2
312 33 33 GLY CA C 44.836 0.300 1
313 34 34 ASN H H 8.425 0.030 1
314 34 34 ASN HA H 4.774 0.030 1
315 34 34 ASN HB2 H 2.803 0.030 2
316 34 34 ASN HB3 H 2.742 0.030 2
317 34 34 ASN CA C 52.678 0.300 1
318 34 34 ASN CB C 38.147 0.300 1
319 34 34 ASN N N 119.106 0.300 1
320 35 35 GLY H H 8.471 0.030 1
321 35 35 GLY HA2 H 4.226 0.030 2
322 35 35 GLY HA3 H 4.085 0.030 2
323 35 35 GLY CA C 45.746 0.300 1
324 35 35 GLY N N 113.032 0.300 1
325 36 36 ARG HA H 4.285 0.030 1
326 36 36 ARG HB2 H 1.718 0.030 2
327 36 36 ARG HB3 H 1.516 0.030 2
328 36 36 ARG HD2 H 2.751 0.030 2
329 36 36 ARG HD3 H 2.546 0.030 2
330 36 36 ARG HG2 H 1.306 0.030 2
331 36 36 ARG HG3 H 0.907 0.030 2
332 36 36 ARG C C 176.770 0.300 1
333 36 36 ARG CA C 56.329 0.300 1
334 36 36 ARG CB C 30.351 0.300 1
335 36 36 ARG CD C 42.717 0.300 1
336 36 36 ARG CG C 27.128 0.300 1
337 37 37 THR H H 8.011 0.030 1
338 37 37 THR HA H 4.297 0.030 1
339 37 37 THR HB H 4.477 0.030 1
340 37 37 THR HG2 H 1.163 0.030 1
341 37 37 THR C C 174.476 0.300 1
342 37 37 THR CA C 61.844 0.300 1
343 37 37 THR CB C 69.361 0.300 1
344 37 37 THR CG2 C 21.653 0.300 1
345 37 37 THR N N 106.899 0.300 1
346 38 38 SER H H 7.576 0.030 1
347 38 38 SER HA H 4.983 0.030 1
348 38 38 SER HB2 H 3.997 0.030 2
349 38 38 SER HB3 H 3.928 0.030 2
350 38 38 SER C C 171.284 0.300 1
351 38 38 SER CA C 56.537 0.300 1
352 38 38 SER CB C 63.775 0.300 1
353 38 38 SER N N 118.288 0.300 1
354 39 39 PRO HA H 4.973 0.030 1
355 39 39 PRO HB2 H 2.227 0.030 2
356 39 39 PRO HB3 H 1.843 0.030 2
357 39 39 PRO HD2 H 3.956 0.030 2
358 39 39 PRO HD3 H 3.800 0.030 2
359 39 39 PRO HG2 H 2.038 0.030 1
360 39 39 PRO HG3 H 2.038 0.030 1
361 39 39 PRO CA C 63.306 0.300 1
362 39 39 PRO CB C 32.987 0.300 1
363 39 39 PRO CD C 50.930 0.300 1
364 39 39 PRO CG C 27.326 0.300 1
365 40 40 TRP H H 8.613 0.030 1
366 40 40 TRP HA H 5.159 0.030 1
367 40 40 TRP HB2 H 3.056 0.030 2
368 40 40 TRP HB3 H 2.853 0.030 2
369 40 40 TRP HD1 H 7.903 0.030 1
370 40 40 TRP HE1 H 10.850 0.030 1
371 40 40 TRP HE3 H 7.045 0.030 1
372 40 40 TRP HH2 H 7.182 0.030 1
373 40 40 TRP HZ2 H 7.665 0.030 1
374 40 40 TRP HZ3 H 6.875 0.030 1
375 40 40 TRP C C 175.277 0.300 1
376 40 40 TRP CA C 56.013 0.300 1
377 40 40 TRP CB C 30.757 0.300 1
378 40 40 TRP CD1 C 124.842 0.300 1
379 40 40 TRP CE3 C 119.585 0.300 1
380 40 40 TRP CH2 C 124.460 0.300 1
381 40 40 TRP CZ2 C 115.256 0.300 1
382 40 40 TRP CZ3 C 121.714 0.300 1
383 40 40 TRP N N 121.403 0.300 1
384 40 40 TRP NE1 N 131.496 0.300 1
385 41 41 GLU H H 8.859 0.030 1
386 41 41 GLU HA H 5.365 0.030 1
387 41 41 GLU HB2 H 2.006 0.030 2
388 41 41 GLU HB3 H 1.963 0.030 2
389 41 41 GLU HG2 H 2.154 0.030 2
390 41 41 GLU HG3 H 2.016 0.030 2
391 41 41 GLU C C 174.015 0.300 1
392 41 41 GLU CA C 55.300 0.300 1
393 41 41 GLU CB C 33.481 0.300 1
394 41 41 GLU CG C 37.189 0.300 1
395 41 41 GLU N N 121.609 0.300 1
396 42 42 ILE H H 8.979 0.030 1
397 42 42 ILE HA H 5.001 0.030 1
398 42 42 ILE HB H 1.695 0.030 1
399 42 42 ILE HD1 H 0.778 0.030 1
400 42 42 ILE HG12 H 1.560 0.030 2
401 42 42 ILE HG13 H 1.184 0.030 2
402 42 42 ILE HG2 H 0.767 0.030 1
403 42 42 ILE C C 173.724 0.300 1
404 42 42 ILE CA C 59.648 0.300 1
405 42 42 ILE CB C 41.517 0.300 1
406 42 42 ILE CD1 C 15.277 0.300 1
407 42 42 ILE CG1 C 28.799 0.300 1
408 42 42 ILE CG2 C 18.230 0.300 1
409 42 42 ILE N N 125.214 0.300 1
410 43 43 TYR H H 9.099 0.030 1
411 43 43 TYR HA H 5.724 0.030 1
412 43 43 TYR HB2 H 2.896 0.030 2
413 43 43 TYR HB3 H 2.811 0.030 2
414 43 43 TYR HD1 H 6.860 0.030 1
415 43 43 TYR HD2 H 6.860 0.030 1
416 43 43 TYR HE1 H 6.653 0.030 1
417 43 43 TYR HE2 H 6.653 0.030 1
418 43 43 TYR C C 174.695 0.300 1
419 43 43 TYR CA C 55.416 0.300 1
420 43 43 TYR CB C 41.699 0.300 1
421 43 43 TYR CD1 C 133.314 0.300 1
422 43 43 TYR CD2 C 133.314 0.300 1
423 43 43 TYR CE1 C 118.530 0.300 1
424 43 43 TYR CE2 C 118.530 0.300 1
425 43 43 TYR N N 123.037 0.300 1
426 44 44 ILE H H 8.522 0.030 1
427 44 44 ILE HA H 4.774 0.030 1
428 44 44 ILE HB H 1.804 0.030 1
429 44 44 ILE HD1 H 0.309 0.030 1
430 44 44 ILE HG12 H 0.632 0.030 2
431 44 44 ILE HG13 H 1.451 0.030 2
432 44 44 ILE HG2 H 0.623 0.030 1
433 44 44 ILE C C 172.887 0.300 1
434 44 44 ILE CA C 60.184 0.300 1
435 44 44 ILE CB C 40.746 0.300 1
436 44 44 ILE CD1 C 14.780 0.300 1
437 44 44 ILE CG1 C 28.298 0.300 1
438 44 44 ILE CG2 C 14.283 0.300 1
439 44 44 ILE N N 118.151 0.300 1
440 45 45 THR H H 9.169 0.030 1
441 45 45 THR HA H 4.615 0.030 1
442 45 45 THR HB H 4.034 0.030 1
443 45 45 THR HG2 H 0.898 0.030 1
444 45 45 THR C C 172.352 0.300 1
445 45 45 THR CA C 63.145 0.300 1
446 45 45 THR CB C 68.725 0.300 1
447 45 45 THR CG2 C 21.675 0.300 1
448 45 45 THR N N 127.036 0.300 1
449 46 46 LEU H H 8.605 0.030 1
450 46 46 LEU HA H 4.401 0.030 1
451 46 46 LEU HB2 H 0.781 0.030 2
452 46 46 LEU HB3 H 0.721 0.030 2
453 46 46 LEU HD1 H 0.650 0.030 1
454 46 46 LEU HD2 H 0.554 0.030 1
455 46 46 LEU HG H 1.330 0.030 1
456 46 46 LEU C C 173.942 0.300 1
457 46 46 LEU CA C 53.131 0.300 1
458 46 46 LEU CB C 43.843 0.300 1
459 46 46 LEU CD1 C 25.863 0.300 2
460 46 46 LEU CD2 C 23.416 0.300 2
461 46 46 LEU CG C 26.100 0.300 1
462 46 46 LEU N N 128.140 0.300 1
463 47 47 HIS H H 8.137 0.030 1
464 47 47 HIS HA H 4.910 0.030 1
465 47 47 HIS HB2 H 3.235 0.030 2
466 47 47 HIS HB3 H 2.905 0.030 2
467 47 47 HIS HD2 H 7.076 0.030 1
468 47 47 HIS HE1 H 8.260 0.030 1
469 47 47 HIS C C 172.279 0.300 1
470 47 47 HIS CA C 53.047 0.300 1
471 47 47 HIS CB C 30.413 0.300 1
472 47 47 HIS CD2 C 121.456 0.300 1
473 47 47 HIS CE1 C 136.744 0.300 1
474 47 47 HIS N N 116.360 0.300 1
475 48 48 PRO HA H 4.396 0.030 1
476 48 48 PRO HB2 H 2.174 0.030 2
477 48 48 PRO HB3 H 2.016 0.030 2
478 48 48 PRO HD2 H 3.866 0.030 2
479 48 48 PRO HD3 H 3.785 0.030 2
480 48 48 PRO HG2 H 2.098 0.030 2
481 48 48 PRO HG3 H 1.899 0.030 2
482 48 48 PRO C C 176.430 0.300 1
483 48 48 PRO CA C 62.337 0.300 1
484 48 48 PRO CB C 32.449 0.300 1
485 48 48 PRO CD C 50.701 0.300 1
486 48 48 PRO CG C 27.588 0.300 1
487 49 49 ALA H H 8.555 0.030 1
488 49 49 ALA HA H 4.379 0.030 1
489 49 49 ALA HB H 1.432 0.030 1
490 49 49 ALA C C 177.632 0.300 1
491 49 49 ALA CA C 52.918 0.300 1
492 49 49 ALA CB C 18.864 0.300 1
493 49 49 ALA N N 125.183 0.300 1
494 50 50 THR H H 7.897 0.030 1
495 50 50 THR HA H 4.401 0.030 1
496 50 50 THR HB H 4.309 0.030 1
497 50 50 THR HG2 H 1.168 0.030 1
498 50 50 THR C C 174.051 0.300 1
499 50 50 THR CA C 60.834 0.300 1
500 50 50 THR CB C 70.215 0.300 1
501 50 50 THR CG2 C 21.772 0.300 1
502 50 50 THR N N 111.732 0.300 1
503 51 51 ALA H H 8.329 0.030 1
504 51 51 ALA HA H 4.374 0.030 1
505 51 51 ALA HB H 1.398 0.030 1
506 51 51 ALA C C 177.741 0.300 1
507 51 51 ALA CA C 52.468 0.300 1
508 51 51 ALA CB C 19.641 0.300 1
509 51 51 ALA N N 125.587 0.300 1
510 52 52 GLU H H 8.475 0.030 1
511 52 52 GLU HA H 4.199 0.030 1
512 52 52 GLU HB2 H 2.049 0.030 2
513 52 52 GLU HB3 H 1.896 0.030 2
514 52 52 GLU HG2 H 2.238 0.030 1
515 52 52 GLU HG3 H 2.238 0.030 1
516 52 52 GLU C C 176.406 0.300 1
517 52 52 GLU CA C 57.073 0.300 1
518 52 52 GLU CB C 30.186 0.300 1
519 52 52 GLU CG C 36.312 0.300 1
520 52 52 GLU N N 119.571 0.300 1
521 53 53 ASP H H 8.308 0.030 1
522 53 53 ASP HA H 4.484 0.030 1
523 53 53 ASP HB2 H 2.691 0.030 1
524 53 53 ASP HB3 H 2.691 0.030 1
525 53 53 ASP C C 176.412 0.300 1
526 53 53 ASP CA C 54.365 0.300 1
527 53 53 ASP CB C 40.896 0.300 1
528 53 53 ASP N N 119.350 0.300 1
529 54 54 GLN H H 8.198 0.030 1
530 54 54 GLN HA H 4.261 0.030 1
531 54 54 GLN HB2 H 2.132 0.030 2
532 54 54 GLN HB3 H 1.982 0.030 2
533 54 54 GLN HE21 H 7.543 0.030 2
534 54 54 GLN HE22 H 6.839 0.030 2
535 54 54 GLN HG2 H 2.333 0.030 1
536 54 54 GLN HG3 H 2.333 0.030 1
537 54 54 GLN C C 176.030 0.300 1
538 54 54 GLN CA C 56.424 0.300 1
539 54 54 GLN CB C 29.239 0.300 1
540 54 54 GLN CG C 33.754 0.300 1
541 54 54 GLN N N 119.432 0.300 1
542 54 54 GLN NE2 N 112.689 0.300 1
543 55 55 ASP H H 8.326 0.030 1
544 55 55 ASP HA H 4.608 0.030 1
545 55 55 ASP HB2 H 2.752 0.030 2
546 55 55 ASP HB3 H 2.682 0.030 2
547 55 55 ASP C C 176.683 0.300 1
548 55 55 ASP CA C 54.911 0.300 1
549 55 55 ASP CB C 41.102 0.300 1
550 55 55 ASP N N 120.497 0.300 1
551 56 56 SER H H 8.119 0.030 1
552 56 56 SER HA H 4.350 0.030 1
553 56 56 SER HB2 H 3.852 0.030 2
554 56 56 SER HB3 H 3.792 0.030 2
555 56 56 SER C C 174.440 0.300 1
556 56 56 SER CA C 58.926 0.300 1
557 56 56 SER CB C 63.784 0.300 1
558 56 56 SER N N 115.916 0.300 1
559 57 57 GLN H H 8.265 0.030 1
560 57 57 GLN HA H 4.300 0.030 1
561 57 57 GLN HB2 H 2.048 0.030 2
562 57 57 GLN HB3 H 1.945 0.030 2
563 57 57 GLN HE21 H 7.487 0.030 2
564 57 57 GLN HE22 H 6.804 0.030 2
565 57 57 GLN HG2 H 2.216 0.030 1
566 57 57 GLN HG3 H 2.216 0.030 1
567 57 57 GLN C C 175.495 0.300 1
568 57 57 GLN CA C 55.615 0.300 1
569 57 57 GLN CB C 29.072 0.300 1
570 57 57 GLN CG C 33.750 0.300 1
571 57 57 GLN N N 120.771 0.300 1
572 57 57 GLN NE2 N 112.676 0.300 1
573 58 58 TYR H H 8.233 0.030 1
574 58 58 TYR HA H 4.433 0.030 1
575 58 58 TYR HB2 H 3.039 0.030 2
576 58 58 TYR HB3 H 2.986 0.030 2
577 58 58 TYR HD1 H 7.052 0.030 1
578 58 58 TYR HD2 H 7.052 0.030 1
579 58 58 TYR HE1 H 6.780 0.030 1
580 58 58 TYR HE2 H 6.780 0.030 1
581 58 58 TYR C C 175.022 0.300 1
582 58 58 TYR CA C 59.094 0.300 1
583 58 58 TYR CB C 39.162 0.300 1
584 58 58 TYR CD1 C 133.048 0.300 1
585 58 58 TYR CD2 C 133.048 0.300 1
586 58 58 TYR CE1 C 118.194 0.300 1
587 58 58 TYR CE2 C 118.194 0.300 1
588 58 58 TYR N N 121.939 0.300 1
589 59 59 VAL H H 7.435 0.030 1
590 59 59 VAL HA H 4.689 0.030 1
591 59 59 VAL HB H 1.918 0.030 1
592 59 59 VAL HG1 H 1.005 0.030 1
593 59 59 VAL HG2 H 0.988 0.030 1
594 59 59 VAL C C 175.144 0.300 1
595 59 59 VAL CA C 60.324 0.300 1
596 59 59 VAL CB C 33.994 0.300 1
597 59 59 VAL CG1 C 20.960 0.300 2
598 59 59 VAL CG2 C 21.645 0.300 2
599 59 59 VAL N N 119.002 0.300 1
600 60 60 CYS H H 8.547 0.030 1
601 60 60 CYS HA H 5.012 0.030 1
602 60 60 CYS HB2 H 2.822 0.030 2
603 60 60 CYS HB3 H 2.718 0.030 2
604 60 60 CYS C C 172.388 0.300 1
605 60 60 CYS CA C 56.859 0.300 1
606 60 60 CYS CB C 30.269 0.300 1
607 60 60 CYS N N 117.024 0.300 1
608 61 61 PHE H H 7.844 0.030 1
609 61 61 PHE HA H 4.774 0.030 1
610 61 61 PHE HB2 H 3.347 0.030 2
611 61 61 PHE HB3 H 2.762 0.030 2
612 61 61 PHE HD1 H 6.869 0.030 1
613 61 61 PHE HD2 H 6.869 0.030 1
614 61 61 PHE HE1 H 7.022 0.030 1
615 61 61 PHE HE2 H 7.022 0.030 1
616 61 61 PHE HZ H 6.924 0.030 1
617 61 61 PHE C C 171.964 0.300 1
618 61 61 PHE CA C 57.956 0.300 1
619 61 61 PHE CB C 40.379 0.300 1
620 61 61 PHE CD1 C 132.530 0.300 1
621 61 61 PHE CD2 C 132.530 0.300 1
622 61 61 PHE CE1 C 130.357 0.300 1
623 61 61 PHE CE2 C 130.357 0.300 1
624 61 61 PHE CZ C 129.074 0.300 1
625 61 61 PHE N N 111.174 0.300 1
626 62 62 THR H H 8.639 0.030 1
627 62 62 THR HA H 4.858 0.030 1
628 62 62 THR HB H 4.005 0.030 1
629 62 62 THR HG2 H 1.075 0.030 1
630 62 62 THR C C 172.364 0.300 1
631 62 62 THR CA C 62.312 0.300 1
632 62 62 THR CB C 69.498 0.300 1
633 62 62 THR CG2 C 20.959 0.300 1
634 62 62 THR N N 117.127 0.300 1
635 63 63 LEU H H 9.186 0.030 1
636 63 63 LEU HA H 4.591 0.030 1
637 63 63 LEU HB2 H 2.056 0.030 2
638 63 63 LEU HB3 H 1.285 0.030 2
639 63 63 LEU HD1 H 0.890 0.030 1
640 63 63 LEU HD2 H 0.747 0.030 1
641 63 63 LEU HG H 1.416 0.030 1
642 63 63 LEU C C 173.542 0.300 1
643 63 63 LEU CA C 54.376 0.300 1
644 63 63 LEU CB C 43.533 0.300 1
645 63 63 LEU CD1 C 24.118 0.300 2
646 63 63 LEU CD2 C 27.056 0.300 2
647 63 63 LEU CG C 27.095 0.300 1
648 63 63 LEU N N 133.298 0.300 1
649 64 64 VAL H H 8.711 0.030 1
650 64 64 VAL HA H 4.611 0.030 1
651 64 64 VAL HB H 2.015 0.030 1
652 64 64 VAL HG1 H 0.516 0.030 1
653 64 64 VAL HG2 H 0.594 0.030 1
654 64 64 VAL C C 174.998 0.300 1
655 64 64 VAL CA C 61.192 0.300 1
656 64 64 VAL CB C 32.170 0.300 1
657 64 64 VAL CG1 C 20.420 0.300 2
658 64 64 VAL CG2 C 20.396 0.300 2
659 64 64 VAL N N 126.474 0.300 1
660 65 65 LEU H H 9.262 0.030 1
661 65 65 LEU HA H 5.064 0.030 1
662 65 65 LEU HB2 H 1.876 0.030 2
663 65 65 LEU HB3 H 0.827 0.030 2
664 65 65 LEU HD1 H 0.720 0.030 1
665 65 65 LEU HD2 H 0.771 0.030 1
666 65 65 LEU HG H 1.490 0.030 1
667 65 65 LEU C C 175.229 0.300 1
668 65 65 LEU CA C 52.266 0.300 1
669 65 65 LEU CB C 43.823 0.300 1
670 65 65 LEU CD1 C 25.862 0.300 2
671 65 65 LEU CD2 C 26.089 0.300 2
672 65 65 LEU CG C 26.784 0.300 1
673 65 65 LEU N N 125.836 0.300 1
674 66 66 GLN H H 8.842 0.030 1
675 66 66 GLN HA H 5.110 0.030 1
676 66 66 GLN HB2 H 2.061 0.030 2
677 66 66 GLN HB3 H 2.028 0.030 2
678 66 66 GLN HE21 H 7.593 0.030 2
679 66 66 GLN HE22 H 6.776 0.030 2
680 66 66 GLN HG2 H 2.210 0.030 2
681 66 66 GLN HG3 H 2.107 0.030 2
682 66 66 GLN C C 175.459 0.300 1
683 66 66 GLN CA C 54.692 0.300 1
684 66 66 GLN CB C 29.813 0.300 1
685 66 66 GLN CG C 34.526 0.300 1
686 66 66 GLN N N 123.651 0.300 1
687 66 66 GLN NE2 N 111.684 0.300 1
688 67 67 VAL H H 9.548 0.030 1
689 67 67 VAL HA H 4.165 0.030 1
690 67 67 VAL HB H 1.886 0.030 1
691 67 67 VAL HG1 H 0.453 0.030 1
692 67 67 VAL HG2 H 0.519 0.030 1
693 67 67 VAL C C 172.983 0.300 1
694 67 67 VAL CA C 60.606 0.300 1
695 67 67 VAL CB C 32.987 0.300 1
696 67 67 VAL CG1 C 23.377 0.300 2
697 67 67 VAL CG2 C 20.973 0.300 2
698 67 67 VAL N N 129.823 0.300 1
699 68 68 PRO HA H 4.669 0.030 1
700 68 68 PRO HB2 H 2.425 0.030 2
701 68 68 PRO HB3 H 2.381 0.030 2
702 68 68 PRO HD2 H 4.197 0.030 2
703 68 68 PRO HD3 H 3.644 0.030 2
704 68 68 PRO HG2 H 2.119 0.030 2
705 68 68 PRO HG3 H 1.831 0.030 2
706 68 68 PRO C C 176.527 0.300 1
707 68 68 PRO CA C 62.331 0.300 1
708 68 68 PRO CB C 32.683 0.300 1
709 68 68 PRO CD C 51.676 0.300 1
710 68 68 PRO CG C 26.831 0.300 1
711 69 69 ALA H H 8.735 0.030 1
712 69 69 ALA HA H 4.028 0.030 1
713 69 69 ALA HB H 1.215 0.030 1
714 69 69 ALA C C 178.712 0.300 1
715 69 69 ALA CA C 54.712 0.300 1
716 69 69 ALA CB C 18.470 0.300 1
717 69 69 ALA N N 121.556 0.300 1
718 70 70 GLU H H 8.241 0.030 1
719 70 70 GLU HA H 4.203 0.030 1
720 70 70 GLU HB2 H 2.229 0.030 2
721 70 70 GLU HB3 H 1.834 0.030 2
722 70 70 GLU HG2 H 2.452 0.030 2
723 70 70 GLU HG3 H 2.228 0.030 2
724 70 70 GLU C C 177.292 0.300 1
725 70 70 GLU CA C 57.402 0.300 1
726 70 70 GLU CB C 29.549 0.300 1
727 70 70 GLU CG C 37.272 0.300 1
728 70 70 GLU N N 111.304 0.300 1
729 71 71 TYR H H 8.052 0.030 1
730 71 71 TYR HA H 4.735 0.030 1
731 71 71 TYR HB2 H 3.188 0.030 2
732 71 71 TYR HB3 H 3.115 0.030 2
733 71 71 TYR HD1 H 7.260 0.030 3
734 71 71 TYR HD2 H 6.531 0.030 3
735 71 71 TYR HE1 H 6.825 0.030 3
736 71 71 TYR HE2 H 6.787 0.030 3
737 71 71 TYR C C 174.683 0.300 1
738 71 71 TYR CA C 57.629 0.300 1
739 71 71 TYR CB C 41.347 0.300 1
740 71 71 TYR CD1 C 132.698 0.300 3
741 71 71 TYR CD2 C 133.172 0.300 3
742 71 71 TYR CE1 C 118.391 0.300 3
743 71 71 TYR CE2 C 119.507 0.300 3
744 71 71 TYR N N 122.928 0.300 1
745 72 72 PRO HA H 3.770 0.030 1
746 72 72 PRO HB2 H 1.694 0.030 2
747 72 72 PRO HB3 H 0.474 0.030 2
748 72 72 PRO HD2 H 3.259 0.030 2
749 72 72 PRO HD3 H 3.219 0.030 2
750 72 72 PRO HG2 H 1.328 0.030 2
751 72 72 PRO HG3 H 0.453 0.030 2
752 72 72 PRO C C 174.246 0.300 1
753 72 72 PRO CA C 63.786 0.300 1
754 72 72 PRO CB C 32.015 0.300 1
755 72 72 PRO CD C 49.429 0.300 1
756 72 72 PRO CG C 23.678 0.300 1
757 73 73 HIS H H 8.799 0.030 1
758 73 73 HIS HA H 4.458 0.030 1
759 73 73 HIS HB2 H 3.340 0.030 2
760 73 73 HIS HB3 H 3.100 0.030 2
761 73 73 HIS HD2 H 7.081 0.030 1
762 73 73 HIS HE1 H 7.841 0.030 1
763 73 73 HIS C C 173.712 0.300 1
764 73 73 HIS CA C 57.265 0.300 1
765 73 73 HIS CB C 29.790 0.300 1
766 73 73 HIS CD2 C 119.498 0.300 1
767 73 73 HIS CE1 C 138.779 0.300 1
768 73 73 HIS N N 125.313 0.300 1
769 74 74 GLU H H 7.075 0.030 1
770 74 74 GLU HA H 4.469 0.030 1
771 74 74 GLU HB2 H 1.785 0.030 2
772 74 74 GLU HB3 H 1.662 0.030 2
773 74 74 GLU HG2 H 2.406 0.030 2
774 74 74 GLU HG3 H 2.326 0.030 2
775 74 74 GLU C C 174.585 0.300 1
776 74 74 GLU CA C 54.438 0.300 1
777 74 74 GLU CB C 33.767 0.300 1
778 74 74 GLU CG C 36.192 0.300 1
779 74 74 GLU N N 118.696 0.300 1
780 75 75 VAL H H 8.246 0.030 1
781 75 75 VAL HA H 4.351 0.030 1
782 75 75 VAL HB H 2.226 0.030 1
783 75 75 VAL HG1 H 0.995 0.030 1
784 75 75 VAL HG2 H 0.936 0.030 1
785 75 75 VAL C C 173.614 0.300 1
786 75 75 VAL CA C 60.133 0.300 1
787 75 75 VAL CB C 31.017 0.300 1
788 75 75 VAL CG1 C 22.671 0.300 2
789 75 75 VAL CG2 C 17.961 0.300 2
790 75 75 VAL N N 114.666 0.300 1
791 76 76 PRO HA H 4.858 0.030 1
792 76 76 PRO HB2 H 1.891 0.030 2
793 76 76 PRO HB3 H 1.548 0.030 2
794 76 76 PRO HD2 H 4.148 0.030 2
795 76 76 PRO HD3 H 3.646 0.030 2
796 76 76 PRO HG2 H 1.851 0.030 2
797 76 76 PRO HG3 H 1.790 0.030 2
798 76 76 PRO C C 175.484 0.300 1
799 76 76 PRO CA C 62.069 0.300 1
800 76 76 PRO CB C 32.006 0.300 1
801 76 76 PRO CD C 51.153 0.300 1
802 76 76 PRO CG C 27.814 0.300 1
803 77 77 GLN H H 8.781 0.030 1
804 77 77 GLN HA H 4.426 0.030 1
805 77 77 GLN HB2 H 2.156 0.030 2
806 77 77 GLN HB3 H 2.059 0.030 2
807 77 77 GLN HE21 H 7.630 0.030 2
808 77 77 GLN HE22 H 6.791 0.030 2
809 77 77 GLN HG2 H 2.430 0.030 1
810 77 77 GLN HG3 H 2.430 0.030 1
811 77 77 GLN C C 176.248 0.300 1
812 77 77 GLN CA C 55.662 0.300 1
813 77 77 GLN CB C 29.328 0.300 1
814 77 77 GLN CG C 33.767 0.300 1
815 77 77 GLN N N 120.269 0.300 1
816 77 77 GLN NE2 N 112.829 0.300 1
817 78 78 ILE H H 8.567 0.030 1
818 78 78 ILE HA H 4.732 0.030 1
819 78 78 ILE HB H 1.590 0.030 1
820 78 78 ILE HD1 H 0.727 0.030 1
821 78 78 ILE HG12 H 1.602 0.030 2
822 78 78 ILE HG13 H 0.667 0.030 2
823 78 78 ILE HG2 H 0.733 0.030 1
824 78 78 ILE C C 174.828 0.300 1
825 78 78 ILE CA C 61.233 0.300 1
826 78 78 ILE CB C 39.881 0.300 1
827 78 78 ILE CD1 C 14.547 0.300 1
828 78 78 ILE CG1 C 27.314 0.300 1
829 78 78 ILE CG2 C 18.224 0.300 1
830 78 78 ILE N N 128.135 0.300 1
831 79 79 SER H H 9.219 0.030 1
832 79 79 SER HA H 4.655 0.030 1
833 79 79 SER HB2 H 3.816 0.030 2
834 79 79 SER HB3 H 3.746 0.030 2
835 79 79 SER C C 171.199 0.300 1
836 79 79 SER CA C 57.398 0.300 1
837 79 79 SER CB C 65.552 0.300 1
838 79 79 SER N N 121.566 0.300 1
839 80 80 ILE H H 8.497 0.030 1
840 80 80 ILE HA H 4.971 0.030 1
841 80 80 ILE HB H 1.524 0.030 1
842 80 80 ILE HD1 H 0.269 0.030 1
843 80 80 ILE HG12 H 1.328 0.030 2
844 80 80 ILE HG13 H 0.945 0.030 2
845 80 80 ILE HG2 H 0.619 0.030 1
846 80 80 ILE C C 175.314 0.300 1
847 80 80 ILE CA C 59.625 0.300 1
848 80 80 ILE CB C 40.608 0.300 1
849 80 80 ILE CD1 C 13.425 0.300 1
850 80 80 ILE CG1 C 28.094 0.300 1
851 80 80 ILE CG2 C 17.721 0.300 1
852 80 80 ILE N N 119.200 0.300 1
853 81 81 ARG H H 9.376 0.030 1
854 81 81 ARG HA H 4.788 0.030 1
855 81 81 ARG HB2 H 1.693 0.030 2
856 81 81 ARG HB3 H 1.531 0.030 2
857 81 81 ARG HD2 H 3.137 0.030 2
858 81 81 ARG HD3 H 2.888 0.030 2
859 81 81 ARG HG2 H 1.517 0.030 1
860 81 81 ARG HG3 H 1.517 0.030 1
861 81 81 ARG C C 174.027 0.300 1
862 81 81 ARG CA C 53.652 0.300 1
863 81 81 ARG CB C 34.523 0.300 1
864 81 81 ARG CD C 43.755 0.300 1
865 81 81 ARG CG C 27.220 0.300 1
866 81 81 ARG N N 125.860 0.300 1
867 82 82 ASN H H 9.359 0.030 1
868 82 82 ASN HA H 4.498 0.030 1
869 82 82 ASN HB2 H 2.908 0.030 2
870 82 82 ASN HB3 H 2.692 0.030 2
871 82 82 ASN HD21 H 7.697 0.030 2
872 82 82 ASN HD22 H 6.909 0.030 2
873 82 82 ASN C C 171.697 0.300 1
874 82 82 ASN CA C 53.902 0.300 1
875 82 82 ASN CB C 38.456 0.300 1
876 82 82 ASN N N 117.657 0.300 1
877 82 82 ASN ND2 N 113.210 0.300 1
878 83 83 PRO HA H 4.984 0.030 1
879 83 83 PRO HB2 H 2.233 0.030 2
880 83 83 PRO HB3 H 1.733 0.030 2
881 83 83 PRO HD2 H 3.802 0.030 2
882 83 83 PRO HD3 H 3.245 0.030 2
883 83 83 PRO HG2 H 2.243 0.030 2
884 83 83 PRO HG3 H 2.015 0.030 2
885 83 83 PRO C C 176.503 0.300 1
886 83 83 PRO CA C 63.533 0.300 1
887 83 83 PRO CB C 32.515 0.300 1
888 83 83 PRO CD C 51.000 0.300 1
889 83 83 PRO CG C 27.451 0.300 1
890 84 84 ARG H H 9.086 0.030 1
891 84 84 ARG HA H 4.612 0.030 1
892 84 84 ARG HB2 H 1.924 0.030 2
893 84 84 ARG HB3 H 1.827 0.030 2
894 84 84 ARG HD2 H 3.141 0.030 1
895 84 84 ARG HD3 H 3.141 0.030 1
896 84 84 ARG HG2 H 1.616 0.030 2
897 84 84 ARG HG3 H 1.482 0.030 2
898 84 84 ARG C C 175.678 0.300 1
899 84 84 ARG CA C 55.917 0.300 1
900 84 84 ARG CB C 33.317 0.300 1
901 84 84 ARG CD C 43.780 0.300 1
902 84 84 ARG CG C 26.891 0.300 1
903 84 84 ARG N N 122.482 0.300 1
904 85 85 GLY H H 8.660 0.030 1
905 85 85 GLY HA2 H 4.279 0.030 2
906 85 85 GLY HA3 H 3.751 0.030 2
907 85 85 GLY C C 173.238 0.300 1
908 85 85 GLY CA C 46.158 0.300 1
909 85 85 GLY N N 109.806 0.300 1
910 86 86 LEU H H 7.514 0.030 1
911 86 86 LEU HA H 5.037 0.030 1
912 86 86 LEU HB2 H 1.453 0.030 2
913 86 86 LEU HB3 H 1.307 0.030 2
914 86 86 LEU HD1 H 0.692 0.030 1
915 86 86 LEU HD2 H 0.706 0.030 1
916 86 86 LEU HG H 1.686 0.030 1
917 86 86 LEU C C 176.746 0.300 1
918 86 86 LEU CA C 52.686 0.300 1
919 86 86 LEU CB C 45.905 0.300 1
920 86 86 LEU CD1 C 26.932 0.300 2
921 86 86 LEU CD2 C 24.145 0.300 2
922 86 86 LEU CG C 26.355 0.300 1
923 86 86 LEU N N 117.829 0.300 1
924 87 87 SER H H 9.525 0.030 1
925 87 87 SER HA H 4.561 0.030 1
926 87 87 SER HB2 H 4.435 0.030 2
927 87 87 SER HB3 H 3.986 0.030 2
928 87 87 SER C C 174.707 0.300 1
929 87 87 SER CA C 56.549 0.300 1
930 87 87 SER CB C 65.773 0.300 1
931 87 87 SER N N 120.807 0.300 1
932 88 88 ASP H H 9.037 0.030 1
933 88 88 ASP HA H 4.298 0.030 1
934 88 88 ASP HB2 H 2.605 0.030 1
935 88 88 ASP HB3 H 2.605 0.030 1
936 88 88 ASP C C 178.906 0.300 1
937 88 88 ASP CA C 57.903 0.300 1
938 88 88 ASP CB C 39.882 0.300 1
939 88 88 ASP N N 121.404 0.300 1
940 89 89 GLU H H 8.650 0.030 1
941 89 89 GLU HA H 4.088 0.030 1
942 89 89 GLU HB2 H 2.048 0.030 2
943 89 89 GLU HB3 H 1.937 0.030 2
944 89 89 GLU HG2 H 2.318 0.030 1
945 89 89 GLU HG3 H 2.318 0.030 1
946 89 89 GLU C C 179.343 0.300 1
947 89 89 GLU CA C 59.878 0.300 1
948 89 89 GLU CB C 29.239 0.300 1
949 89 89 GLU CG C 36.466 0.300 1
950 89 89 GLU N N 120.128 0.300 1
951 90 90 GLN H H 7.904 0.030 1
952 90 90 GLN HA H 4.014 0.030 1
953 90 90 GLN HB2 H 2.440 0.030 2
954 90 90 GLN HB3 H 1.764 0.030 2
955 90 90 GLN HE21 H 7.621 0.030 2
956 90 90 GLN HE22 H 7.150 0.030 2
957 90 90 GLN HG2 H 2.440 0.030 2
958 90 90 GLN HG3 H 2.362 0.030 2
959 90 90 GLN C C 178.651 0.300 1
960 90 90 GLN CA C 59.366 0.300 1
961 90 90 GLN CB C 29.813 0.300 1
962 90 90 GLN CG C 35.377 0.300 1
963 90 90 GLN N N 120.656 0.300 1
964 90 90 GLN NE2 N 112.688 0.300 1
965 91 91 ILE H H 8.157 0.030 1
966 91 91 ILE HA H 3.260 0.030 1
967 91 91 ILE HB H 1.885 0.030 1
968 91 91 ILE HD1 H 0.721 0.030 1
969 91 91 ILE HG12 H 1.645 0.030 2
970 91 91 ILE HG13 H 0.681 0.030 2
971 91 91 ILE HG2 H 0.767 0.030 1
972 91 91 ILE C C 176.782 0.300 1
973 91 91 ILE CA C 65.745 0.300 1
974 91 91 ILE CB C 37.826 0.300 1
975 91 91 ILE CD1 C 13.428 0.300 1
976 91 91 ILE CG1 C 30.302 0.300 1
977 91 91 ILE CG2 C 17.025 0.300 1
978 91 91 ILE N N 120.020 0.300 1
979 92 92 HIS H H 8.049 0.030 1
980 92 92 HIS HA H 4.181 0.030 1
981 92 92 HIS HB2 H 3.252 0.030 2
982 92 92 HIS HB3 H 3.179 0.030 2
983 92 92 HIS HD2 H 7.014 0.030 1
984 92 92 HIS C C 178.166 0.300 1
985 92 92 HIS CA C 60.122 0.300 1
986 92 92 HIS CB C 29.805 0.300 1
987 92 92 HIS CD2 C 120.126 0.300 1
988 92 92 HIS N N 117.754 0.300 1
989 93 93 THR H H 8.191 0.030 1
990 93 93 THR HA H 3.842 0.030 1
991 93 93 THR HB H 4.315 0.030 1
992 93 93 THR HG2 H 1.195 0.030 1
993 93 93 THR C C 175.593 0.300 1
994 93 93 THR CA C 67.242 0.300 1
995 93 93 THR CB C 68.719 0.300 1
996 93 93 THR CG2 C 21.691 0.300 1
997 93 93 THR N N 117.024 0.300 1
998 94 94 ILE H H 8.189 0.030 1
999 94 94 ILE HA H 3.397 0.030 1
1000 94 94 ILE HB H 1.659 0.030 1
1001 94 94 ILE HD1 H 0.411 0.030 1
1002 94 94 ILE HG12 H 1.834 0.030 2
1003 94 94 ILE HG13 H 0.762 0.030 2
1004 94 94 ILE HG2 H 0.544 0.030 1
1005 94 94 ILE C C 177.389 0.300 1
1006 94 94 ILE CA C 66.484 0.300 1
1007 94 94 ILE CB C 37.919 0.300 1
1008 94 94 ILE CD1 C 14.017 0.300 1
1009 94 94 ILE CG1 C 29.680 0.300 1
1010 94 94 ILE CG2 C 17.729 0.300 1
1011 94 94 ILE N N 121.904 0.300 1
1012 95 95 LEU H H 7.999 0.030 1
1013 95 95 LEU HA H 3.752 0.030 1
1014 95 95 LEU HB2 H 1.862 0.030 2
1015 95 95 LEU HB3 H 1.333 0.030 2
1016 95 95 LEU HD1 H 0.849 0.030 1
1017 95 95 LEU HD2 H 0.664 0.030 1
1018 95 95 LEU HG H 1.660 0.030 1
1019 95 95 LEU C C 180.548 0.300 1
1020 95 95 LEU CA C 58.397 0.300 1
1021 95 95 LEU CB C 41.395 0.300 1
1022 95 95 LEU CD1 C 25.483 0.300 2
1023 95 95 LEU CD2 C 23.072 0.300 2
1024 95 95 LEU CG C 26.825 0.300 1
1025 95 95 LEU N N 117.320 0.300 1
1026 96 96 GLN H H 8.158 0.030 1
1027 96 96 GLN HA H 3.927 0.030 1
1028 96 96 GLN HB2 H 2.122 0.030 1
1029 96 96 GLN HB3 H 2.122 0.030 1
1030 96 96 GLN HE21 H 7.202 0.030 2
1031 96 96 GLN HE22 H 6.878 0.030 2
1032 96 96 GLN HG2 H 2.259 0.030 2
1033 96 96 GLN HG3 H 2.128 0.030 2
1034 96 96 GLN C C 179.003 0.300 1
1035 96 96 GLN CA C 58.774 0.300 1
1036 96 96 GLN CB C 28.819 0.300 1
1037 96 96 GLN CG C 33.880 0.300 1
1038 96 96 GLN N N 120.676 0.300 1
1039 96 96 GLN NE2 N 112.423 0.300 1
1040 97 97 VAL H H 8.510 0.030 1
1041 97 97 VAL HA H 3.693 0.030 1
1042 97 97 VAL HB H 2.073 0.030 1
1043 97 97 VAL HG1 H 0.917 0.030 1
1044 97 97 VAL HG2 H 1.075 0.030 1
1045 97 97 VAL C C 179.173 0.300 1
1046 97 97 VAL CA C 66.713 0.300 1
1047 97 97 VAL CB C 31.779 0.300 1
1048 97 97 VAL CG1 C 21.430 0.300 2
1049 97 97 VAL CG2 C 22.634 0.300 2
1050 97 97 VAL N N 121.448 0.300 1
1051 98 98 LEU H H 8.550 0.030 1
1052 98 98 LEU HA H 3.939 0.030 1
1053 98 98 LEU HB2 H 1.817 0.030 2
1054 98 98 LEU HB3 H 1.333 0.030 2
1055 98 98 LEU HD1 H 0.738 0.030 1
1056 98 98 LEU HD2 H 0.797 0.030 1
1057 98 98 LEU HG H 1.970 0.030 1
1058 98 98 LEU C C 178.809 0.300 1
1059 98 98 LEU CA C 58.412 0.300 1
1060 98 98 LEU CB C 40.978 0.300 1
1061 98 98 LEU CD1 C 26.571 0.300 2
1062 98 98 LEU CD2 C 23.152 0.300 2
1063 98 98 LEU CG C 27.382 0.300 1
1064 98 98 LEU N N 118.228 0.300 1
1065 99 99 GLY H H 8.127 0.030 1
1066 99 99 GLY HA2 H 3.897 0.030 2
1067 99 99 GLY HA3 H 3.757 0.030 2
1068 99 99 GLY C C 176.891 0.300 1
1069 99 99 GLY CA C 47.324 0.300 1
1070 99 99 GLY N N 105.545 0.300 1
1071 100 100 HIS H H 7.877 0.030 1
1072 100 100 HIS HA H 4.443 0.030 1
1073 100 100 HIS HB2 H 3.322 0.030 1
1074 100 100 HIS HB3 H 3.322 0.030 1
1075 100 100 HIS HD2 H 6.974 0.030 1
1076 100 100 HIS C C 178.421 0.300 1
1077 100 100 HIS CA C 59.657 0.300 1
1078 100 100 HIS CB C 30.291 0.300 1
1079 100 100 HIS CD2 C 119.721 0.300 1
1080 100 100 HIS N N 122.397 0.300 1
1081 101 101 VAL H H 8.130 0.030 1
1082 101 101 VAL HA H 3.599 0.030 1
1083 101 101 VAL HB H 2.239 0.030 1
1084 101 101 VAL HG1 H 0.836 0.030 1
1085 101 101 VAL HG2 H 1.115 0.030 1
1086 101 101 VAL C C 178.566 0.300 1
1087 101 101 VAL CA C 66.288 0.300 1
1088 101 101 VAL CB C 31.505 0.300 1
1089 101 101 VAL CG1 C 21.674 0.300 2
1090 101 101 VAL CG2 C 23.050 0.300 2
1091 101 101 VAL N N 122.142 0.300 1
1092 102 102 ALA H H 8.297 0.030 1
1093 102 102 ALA HA H 4.404 0.030 1
1094 102 102 ALA HB H 1.503 0.030 1
1095 102 102 ALA C C 178.421 0.300 1
1096 102 102 ALA CA C 54.607 0.300 1
1097 102 102 ALA CB C 18.213 0.300 1
1098 102 102 ALA N N 121.839 0.300 1
1099 103 103 LYS H H 7.678 0.030 1
1100 103 103 LYS HA H 3.812 0.030 1
1101 103 103 LYS HB2 H 1.896 0.030 1
1102 103 103 LYS HB3 H 1.896 0.030 1
1103 103 103 LYS HD2 H 1.710 0.030 1
1104 103 103 LYS HD3 H 1.710 0.030 1
1105 103 103 LYS HE2 H 2.987 0.030 1
1106 103 103 LYS HE3 H 2.987 0.030 1
1107 103 103 LYS HG2 H 1.565 0.030 2
1108 103 103 LYS HG3 H 1.464 0.030 2
1109 103 103 LYS C C 179.841 0.300 1
1110 103 103 LYS CA C 59.356 0.300 1
1111 103 103 LYS CB C 32.305 0.300 1
1112 103 103 LYS CD C 29.297 0.300 1
1113 103 103 LYS CE C 42.076 0.300 1
1114 103 103 LYS CG C 25.325 0.300 1
1115 103 103 LYS N N 115.541 0.300 1
1116 104 104 ALA H H 8.015 0.030 1
1117 104 104 ALA HA H 4.129 0.030 1
1118 104 104 ALA HB H 1.396 0.030 1
1119 104 104 ALA C C 178.846 0.300 1
1120 104 104 ALA CA C 54.033 0.300 1
1121 104 104 ALA CB C 17.870 0.300 1
1122 104 104 ALA N N 120.734 0.300 1
1123 105 105 GLY H H 7.739 0.030 1
1124 105 105 GLY HA2 H 4.235 0.030 2
1125 105 105 GLY HA3 H 3.613 0.030 2
1126 105 105 GLY C C 173.590 0.300 1
1127 105 105 GLY CA C 44.514 0.300 1
1128 105 105 GLY N N 105.708 0.300 1
1129 106 106 LEU H H 6.985 0.030 1
1130 106 106 LEU HA H 3.855 0.030 1
1131 106 106 LEU HB2 H 1.753 0.030 2
1132 106 106 LEU HB3 H 1.538 0.030 2
1133 106 106 LEU HD1 H 0.937 0.030 1
1134 106 106 LEU HD2 H 0.798 0.030 1
1135 106 106 LEU HG H 1.830 0.030 1
1136 106 106 LEU C C 177.753 0.300 1
1137 106 106 LEU CA C 57.630 0.300 1
1138 106 106 LEU CB C 42.858 0.300 1
1139 106 106 LEU CD1 C 25.259 0.300 2
1140 106 106 LEU CD2 C 24.444 0.300 2
1141 106 106 LEU CG C 26.959 0.300 1
1142 106 106 LEU N N 121.231 0.300 1
1143 107 107 GLY H H 8.417 0.030 1
1144 107 107 GLY HA2 H 4.337 0.030 2
1145 107 107 GLY HA3 H 2.947 0.030 2
1146 107 107 GLY C C 173.396 0.300 1
1147 107 107 GLY CA C 44.577 0.300 1
1148 107 107 GLY N N 110.654 0.300 1
1149 108 108 THR H H 8.043 0.030 1
1150 108 108 THR HA H 4.481 0.030 1
1151 108 108 THR HB H 4.102 0.030 1
1152 108 108 THR HG2 H 1.080 0.030 1
1153 108 108 THR C C 170.726 0.300 1
1154 108 108 THR CA C 59.700 0.300 1
1155 108 108 THR CB C 72.279 0.300 1
1156 108 108 THR CG2 C 21.423 0.300 1
1157 108 108 THR N N 113.602 0.300 1
1158 109 109 ALA H H 7.838 0.030 1
1159 109 109 ALA HA H 4.304 0.030 1
1160 109 109 ALA HB H 1.276 0.030 1
1161 109 109 ALA C C 178.263 0.300 1
1162 109 109 ALA CA C 52.693 0.300 1
1163 109 109 ALA CB C 17.233 0.300 1
1164 109 109 ALA N N 120.584 0.300 1
1165 110 110 MET H H 8.244 0.030 1
1166 110 110 MET HA H 4.976 0.030 1
1167 110 110 MET HB2 H 2.131 0.030 1
1168 110 110 MET HB3 H 2.131 0.030 1
1169 110 110 MET HE H 2.135 0.030 1
1170 110 110 MET HG2 H 2.930 0.030 2
1171 110 110 MET HG3 H 2.301 0.030 2
1172 110 110 MET C C 176.430 0.300 1
1173 110 110 MET CA C 55.929 0.300 1
1174 110 110 MET CB C 36.447 0.300 1
1175 110 110 MET CE C 16.993 0.300 1
1176 110 110 MET CG C 30.928 0.300 1
1177 110 110 MET N N 123.410 0.300 1
1178 111 111 LEU H H 9.481 0.030 1
1179 111 111 LEU HA H 3.841 0.030 1
1180 111 111 LEU HB2 H 1.956 0.030 2
1181 111 111 LEU HB3 H 1.004 0.030 2
1182 111 111 LEU HD1 H 0.407 0.030 1
1183 111 111 LEU HD2 H 0.561 0.030 1
1184 111 111 LEU HG H 2.280 0.030 1
1185 111 111 LEU C C 178.566 0.300 1
1186 111 111 LEU CA C 59.858 0.300 1
1187 111 111 LEU CB C 41.350 0.300 1
1188 111 111 LEU CD1 C 26.067 0.300 2
1189 111 111 LEU CD2 C 22.601 0.300 2
1190 111 111 LEU CG C 26.082 0.300 1
1191 111 111 LEU N N 123.294 0.300 1
1192 112 112 TYR H H 9.149 0.030 1
1193 112 112 TYR HA H 4.174 0.030 1
1194 112 112 TYR HB2 H 3.120 0.030 2
1195 112 112 TYR HB3 H 2.914 0.030 2
1196 112 112 TYR HD1 H 7.087 0.030 1
1197 112 112 TYR HD2 H 7.087 0.030 1
1198 112 112 TYR HE1 H 6.698 0.030 1
1199 112 112 TYR HE2 H 6.698 0.030 1
1200 112 112 TYR C C 176.333 0.300 1
1201 112 112 TYR CA C 61.336 0.300 1
1202 112 112 TYR CB C 38.192 0.300 1
1203 112 112 TYR CD1 C 133.313 0.300 1
1204 112 112 TYR CD2 C 133.313 0.300 1
1205 112 112 TYR CE1 C 118.222 0.300 1
1206 112 112 TYR CE2 C 118.222 0.300 1
1207 112 112 TYR N N 118.474 0.300 1
1208 113 113 GLU H H 8.026 0.030 1
1209 113 113 GLU HA H 3.715 0.030 1
1210 113 113 GLU HB2 H 2.102 0.030 2
1211 113 113 GLU HB3 H 1.874 0.030 2
1212 113 113 GLU HG2 H 2.324 0.030 2
1213 113 113 GLU HG3 H 2.288 0.030 2
1214 113 113 GLU C C 179.837 0.300 1
1215 113 113 GLU CA C 59.711 0.300 1
1216 113 113 GLU CB C 28.827 0.300 1
1217 113 113 GLU CG C 36.860 0.300 1
1218 113 113 GLU N N 117.114 0.300 1
1219 114 114 LEU H H 7.939 0.030 1
1220 114 114 LEU HA H 3.879 0.030 1
1221 114 114 LEU HB2 H 2.084 0.030 2
1222 114 114 LEU HB3 H 1.205 0.030 2
1223 114 114 LEU HD1 H 0.821 0.030 1
1224 114 114 LEU HD2 H 0.842 0.030 1
1225 114 114 LEU HG H 1.865 0.030 1
1226 114 114 LEU C C 177.693 0.300 1
1227 114 114 LEU CA C 58.568 0.300 1
1228 114 114 LEU CB C 42.774 0.300 1
1229 114 114 LEU CD1 C 26.567 0.300 2
1230 114 114 LEU CD2 C 25.161 0.300 2
1231 114 114 LEU CG C 26.877 0.300 1
1232 114 114 LEU N N 119.087 0.300 1
1233 115 115 ILE H H 8.009 0.030 1
1234 115 115 ILE HA H 3.212 0.030 1
1235 115 115 ILE HB H 1.820 0.030 1
1236 115 115 ILE HD1 H 0.534 0.030 1
1237 115 115 ILE HG12 H 1.748 0.030 2
1238 115 115 ILE HG13 H 0.531 0.030 2
1239 115 115 ILE HG2 H 0.507 0.030 1
1240 115 115 ILE C C 178.312 0.300 1
1241 115 115 ILE CA C 66.139 0.300 1
1242 115 115 ILE CB C 38.260 0.300 1
1243 115 115 ILE CD1 C 14.217 0.300 1
1244 115 115 ILE CG1 C 30.041 0.300 1
1245 115 115 ILE CG2 C 18.354 0.300 1
1246 115 115 ILE N N 119.429 0.300 1
1247 116 116 GLU H H 8.429 0.030 1
1248 116 116 GLU HA H 3.723 0.030 1
1249 116 116 GLU HB2 H 1.916 0.030 2
1250 116 116 GLU HB3 H 1.622 0.030 2
1251 116 116 GLU HG2 H 1.818 0.030 2
1252 116 116 GLU HG3 H 1.548 0.030 2
1253 116 116 GLU C C 180.314 0.300 1
1254 116 116 GLU CA C 58.912 0.300 1
1255 116 116 GLU CB C 29.068 0.300 1
1256 116 116 GLU CG C 36.430 0.300 1
1257 116 116 GLU N N 116.190 0.300 1
1258 117 117 LYS H H 8.282 0.030 1
1259 117 117 LYS HA H 4.219 0.030 1
1260 117 117 LYS HB2 H 2.008 0.030 2
1261 117 117 LYS HB3 H 1.946 0.030 2
1262 117 117 LYS HD2 H 1.739 0.030 1
1263 117 117 LYS HD3 H 1.739 0.030 1
1264 117 117 LYS HE2 H 2.847 0.030 2
1265 117 117 LYS HE3 H 2.709 0.030 2
1266 117 117 LYS HG2 H 1.392 0.030 1
1267 117 117 LYS HG3 H 1.392 0.030 1
1268 117 117 LYS C C 178.579 0.300 1
1269 117 117 LYS CA C 57.165 0.300 1
1270 117 117 LYS CB C 29.794 0.300 1
1271 117 117 LYS CD C 27.331 0.300 1
1272 117 117 LYS CE C 41.852 0.300 1
1273 117 117 LYS CG C 24.621 0.300 1
1274 117 117 LYS N N 121.368 0.300 1
1275 118 118 GLY H H 8.224 0.030 1
1276 118 118 GLY HA2 H 3.688 0.030 2
1277 118 118 GLY HA3 H 3.503 0.030 2
1278 118 118 GLY C C 174.015 0.300 1
1279 118 118 GLY CA C 47.574 0.300 1
1280 118 118 GLY N N 107.284 0.300 1
1281 119 119 LYS H H 7.724 0.030 1
1282 119 119 LYS HA H 3.757 0.030 1
1283 119 119 LYS HB2 H 1.963 0.030 2
1284 119 119 LYS HB3 H 1.852 0.030 2
1285 119 119 LYS HD2 H 1.765 0.030 1
1286 119 119 LYS HD3 H 1.765 0.030 1
1287 119 119 LYS HE2 H 2.986 0.030 2
1288 119 119 LYS HE3 H 2.923 0.030 2
1289 119 119 LYS HG2 H 1.655 0.030 2
1290 119 119 LYS HG3 H 1.448 0.030 2
1291 119 119 LYS C C 178.943 0.300 1
1292 119 119 LYS CA C 60.074 0.300 1
1293 119 119 LYS CB C 32.665 0.300 1
1294 119 119 LYS CD C 29.774 0.300 1
1295 119 119 LYS CE C 41.638 0.300 1
1296 119 119 LYS CG C 26.346 0.300 1
1297 119 119 LYS N N 118.977 0.300 1
1298 120 120 GLU H H 8.155 0.030 1
1299 120 120 GLU HA H 4.032 0.030 1
1300 120 120 GLU HB2 H 2.288 0.030 2
1301 120 120 GLU HB3 H 2.193 0.030 2
1302 120 120 GLU HG2 H 2.401 0.030 2
1303 120 120 GLU HG3 H 2.136 0.030 2
1304 120 120 GLU C C 178.744 0.300 1
1305 120 120 GLU CA C 59.370 0.300 1
1306 120 120 GLU CB C 30.415 0.300 1
1307 120 120 GLU CG C 36.105 0.300 1
1308 120 120 GLU N N 122.303 0.300 1
1309 121 121 ILE H H 8.283 0.030 1
1310 121 121 ILE HA H 3.976 0.030 1
1311 121 121 ILE HB H 1.915 0.030 1
1312 121 121 ILE HD1 H 0.856 0.030 1
1313 121 121 ILE HG12 H 1.756 0.030 2
1314 121 121 ILE HG13 H 1.267 0.030 2
1315 121 121 ILE HG2 H 0.960 0.030 1
1316 121 121 ILE C C 178.226 0.300 1
1317 121 121 ILE CA C 63.910 0.300 1
1318 121 121 ILE CB C 38.265 0.300 1
1319 121 121 ILE CD1 C 14.788 0.300 1
1320 121 121 ILE CG1 C 28.539 0.300 1
1321 121 121 ILE CG2 C 18.183 0.300 1
1322 121 121 ILE N N 118.377 0.300 1
1323 122 122 LEU H H 7.715 0.030 1
1324 122 122 LEU HA H 4.077 0.030 1
1325 122 122 LEU HB2 H 1.815 0.030 2
1326 122 122 LEU HB3 H 1.519 0.030 2
1327 122 122 LEU HD1 H 0.702 0.030 1
1328 122 122 LEU HD2 H 0.644 0.030 1
1329 122 122 LEU HG H 1.698 0.030 1
1330 122 122 LEU C C 178.214 0.300 1
1331 122 122 LEU CA C 57.129 0.300 1
1332 122 122 LEU CB C 42.109 0.300 1
1333 122 122 LEU CD1 C 23.925 0.300 2
1334 122 122 LEU CD2 C 25.462 0.300 2
1335 122 122 LEU CG C 26.401 0.300 1
1336 122 122 LEU N N 119.546 0.300 1
1337 123 123 THR H H 8.005 0.030 1
1338 123 123 THR HA H 4.013 0.030 1
1339 123 123 THR HB H 4.428 0.030 1
1340 123 123 THR HG2 H 1.320 0.030 1
1341 123 123 THR C C 175.520 0.300 1
1342 123 123 THR CA C 65.534 0.300 1
1343 123 123 THR CB C 69.320 0.300 1
1344 123 123 THR CG2 C 21.949 0.300 1
1345 123 123 THR N N 114.656 0.300 1
1346 124 124 ASP H H 8.192 0.030 1
1347 124 124 ASP HA H 4.533 0.030 1
1348 124 124 ASP HB2 H 2.728 0.030 1
1349 124 124 ASP HB3 H 2.728 0.030 1
1350 124 124 ASP C C 176.637 0.300 1
1351 124 124 ASP CA C 55.718 0.300 1
1352 124 124 ASP CB C 40.916 0.300 1
1353 124 124 ASP N N 122.037 0.300 1
1354 125 125 ASN H H 7.991 0.030 1
1355 125 125 ASN HA H 4.675 0.030 1
1356 125 125 ASN HB2 H 2.902 0.030 2
1357 125 125 ASN HB3 H 2.683 0.030 2
1358 125 125 ASN HD21 H 7.600 0.030 2
1359 125 125 ASN HD22 H 7.045 0.030 2
1360 125 125 ASN C C 174.549 0.300 1
1361 125 125 ASN CA C 53.810 0.300 1
1362 125 125 ASN CB C 39.167 0.300 1
1363 125 125 ASN N N 117.717 0.300 1
1364 125 125 ASN ND2 N 112.683 0.300 1
1365 126 126 ASN H H 8.093 0.030 1
1366 126 126 ASN HA H 4.774 0.030 1
1367 126 126 ASN HB2 H 2.929 0.030 2
1368 126 126 ASN HB3 H 2.707 0.030 2
1369 126 126 ASN HD21 H 7.804 0.030 2
1370 126 126 ASN HD22 H 6.974 0.030 2
1371 126 126 ASN C C 174.428 0.300 1
1372 126 126 ASN CA C 53.407 0.300 1
1373 126 126 ASN CB C 38.949 0.300 1
1374 126 126 ASN N N 118.666 0.300 1
1375 126 126 ASN ND2 N 112.982 0.300 1
1376 127 127 ILE H H 7.877 0.030 1
1377 127 127 ILE HA H 4.426 0.030 1
1378 127 127 ILE HB H 1.842 0.030 1
1379 127 127 ILE HD1 H 0.851 0.030 1
1380 127 127 ILE HG12 H 1.488 0.030 2
1381 127 127 ILE HG13 H 1.120 0.030 2
1382 127 127 ILE HG2 H 0.887 0.030 1
1383 127 127 ILE C C 174.270 0.300 1
1384 127 127 ILE CA C 58.735 0.300 1
1385 127 127 ILE CB C 38.871 0.300 1
1386 127 127 ILE CD1 C 13.033 0.300 1
1387 127 127 ILE CG1 C 26.995 0.300 1
1388 127 127 ILE CG2 C 17.241 0.300 1
1389 127 127 ILE N N 122.217 0.300 1
1390 128 128 PRO HA H 4.279 0.030 1
1391 128 128 PRO HB2 H 2.153 0.030 2
1392 128 128 PRO HB3 H 1.794 0.030 2
1393 128 128 PRO HD2 H 3.784 0.030 2
1394 128 128 PRO HD3 H 3.591 0.030 2
1395 128 128 PRO HG2 H 1.961 0.030 2
1396 128 128 PRO HG3 H 1.898 0.030 2
1397 128 128 PRO CA C 63.086 0.300 1
1398 128 128 PRO CB C 31.963 0.300 1
1399 128 128 PRO CD C 50.969 0.300 1
1400 128 128 PRO CG C 27.342 0.300 1
1401 129 129 HIS H H 8.359 0.030 1
1402 129 129 HIS HA H 4.587 0.030 1
1403 129 129 HIS HB2 H 3.128 0.030 1
1404 129 129 HIS HB3 H 3.128 0.030 1
1405 129 129 HIS HD2 H 7.119 0.030 1
1406 129 129 HIS C C 176.018 0.300 1
1407 129 129 HIS CA C 56.246 0.300 1
1408 129 129 HIS CB C 30.516 0.300 1
1409 129 129 HIS CD2 C 120.275 0.300 1
1410 129 129 HIS N N 119.784 0.300 1
1411 130 130 GLY H H 8.409 0.030 1
1412 130 130 GLY HA2 H 3.925 0.030 1
1413 130 130 GLY HA3 H 3.925 0.030 1
1414 130 130 GLY C C 174.149 0.300 1
1415 130 130 GLY CA C 45.328 0.300 1
1416 130 130 GLY N N 110.254 0.300 1
1417 131 131 GLN H H 8.364 0.030 1
1418 131 131 GLN HA H 4.401 0.030 1
1419 131 131 GLN HB2 H 2.137 0.030 2
1420 131 131 GLN HB3 H 1.981 0.030 2
1421 131 131 GLN HG2 H 2.332 0.030 1
1422 131 131 GLN HG3 H 2.332 0.030 1
1423 131 131 GLN C C 176.081 0.300 1
1424 131 131 GLN CA C 55.688 0.300 1
1425 131 131 GLN CB C 29.733 0.300 1
1426 131 131 GLN CG C 33.754 0.300 1
1427 131 131 GLN N N 120.013 0.300 1
1428 132 132 SER H H 8.436 0.030 1
1429 132 132 SER HA H 4.478 0.030 1
1430 132 132 SER HB2 H 3.911 0.030 2
1431 132 132 SER HB3 H 3.868 0.030 2
1432 132 132 SER C C 174.524 0.300 1
1433 132 132 SER CA C 58.366 0.300 1
1434 132 132 SER CB C 63.924 0.300 1
1435 132 132 SER N N 117.198 0.300 1
1436 133 133 GLY H H 8.263 0.030 1
1437 133 133 GLY C C 171.794 0.300 1
1438 133 133 GLY CA C 44.551 0.300 1
1439 133 133 GLY N N 110.703 0.300 1
stop_
save_