data_10094
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the third CUT domain of human Homeobox protein Cux-2
;
_BMRB_accession_number 10094
_BMRB_flat_file_name bmr10094.str
_Entry_type original
_Submission_date 2007-01-24
_Accession_date 2007-01-24
_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 Nameki N. . .
2 Tochio N. . .
3 Koshiba S. . .
4 Kigawa T. . .
5 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" 620
"13C chemical shifts" 462
"15N chemical shifts" 103
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2008-08-14 original author .
stop_
_Original_release_date 2008-08-14
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of the third CUT domain of human Homeobox protein Cux-2'
_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 Nameki N. . .
2 Tochio N. . .
3 Koshiba S. . .
4 Kigawa T. . .
5 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 'Homeobox protein Cux-2'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Homeobox protein Cux-2' $entity_1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state 'protein monomer'
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'CUT domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 111
_Mol_residue_sequence
;
GSSGSSGYSGSQAPGGIQEI
VAMSPELDTYSITKRVKEVL
TDNNLGQRLFGESILGLTQG
SVSDLLSRPKPWHKLSLKGR
EPFVRMQLWLNDPHNVEKLR
DMKKLSGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 TYR 9 SER 10 GLY
11 SER 12 GLN 13 ALA 14 PRO 15 GLY
16 GLY 17 ILE 18 GLN 19 GLU 20 ILE
21 VAL 22 ALA 23 MET 24 SER 25 PRO
26 GLU 27 LEU 28 ASP 29 THR 30 TYR
31 SER 32 ILE 33 THR 34 LYS 35 ARG
36 VAL 37 LYS 38 GLU 39 VAL 40 LEU
41 THR 42 ASP 43 ASN 44 ASN 45 LEU
46 GLY 47 GLN 48 ARG 49 LEU 50 PHE
51 GLY 52 GLU 53 SER 54 ILE 55 LEU
56 GLY 57 LEU 58 THR 59 GLN 60 GLY
61 SER 62 VAL 63 SER 64 ASP 65 LEU
66 LEU 67 SER 68 ARG 69 PRO 70 LYS
71 PRO 72 TRP 73 HIS 74 LYS 75 LEU
76 SER 77 LEU 78 LYS 79 GLY 80 ARG
81 GLU 82 PRO 83 PHE 84 VAL 85 ARG
86 MET 87 GLN 88 LEU 89 TRP 90 LEU
91 ASN 92 ASP 93 PRO 94 HIS 95 ASN
96 VAL 97 GLU 98 LYS 99 LEU 100 ARG
101 ASP 102 MET 103 LYS 104 LYS 105 LEU
106 SER 107 GLY 108 PRO 109 SER 110 SER
111 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-11-05
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 1WH8 "Solution Structure Of The Third Cut Domain Of Human Homeobox Protein Cux-2" 100.00 111 100.00 100.00 2.16e-72
REF XP_002823799 "PREDICTED: homeobox protein cut-like 2 [Pongo abelii]" 88.29 460 100.00 100.00 2.38e-61
REF XP_006109587 "PREDICTED: homeobox protein cut-like 2 [Myotis lucifugus]" 87.39 197 98.97 98.97 7.34e-61
REF XP_009684359 "PREDICTED: homeobox protein cut-like 2 [Struthio camelus australis]" 74.77 221 98.80 100.00 1.30e-50
REF XP_011887772 "PREDICTED: homeobox protein cut-like 1 [Cercocebus atys]" 54.05 122 100.00 100.00 2.21e-34
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' . . . . plasmid P040114-59
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
$entity_1 1.1 mM '[U-13C; U-15N]'
d-Tris-HCl 20 mM .
NaCl 100 mM .
d-DTT 1 mM .
NaN3 0.02 % .
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name xwinnmr
_Version 3.5
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name NMRPipe
_Version 20020425
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_software_3
_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_software_4
_Saveframe_category software
_Name Kujira
_Version 0.901
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_5
_Saveframe_category software
_Name CYANA
_Version 1.0.7
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_software_6
_Saveframe_category software
_Name OPALp
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Billeter, M.' . .
'Guntert, P.' . .
'Koradi, R.' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 700
_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_
save_3D_15N-separated_NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_3D_13C-separated_NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
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 298 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_
_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 'Homeobox protein Cux-2'
_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 HA2 H 3.944 0.030 2
2 7 7 GLY CA C 45.300 0.300 1
3 8 8 TYR H H 8.125 0.030 1
4 8 8 TYR HA H 4.605 0.030 1
5 8 8 TYR HB2 H 2.994 0.030 1
6 8 8 TYR HB3 H 2.994 0.030 1
7 8 8 TYR HD1 H 7.111 0.030 1
8 8 8 TYR HD2 H 7.111 0.030 1
9 8 8 TYR HE1 H 6.817 0.030 1
10 8 8 TYR HE2 H 6.817 0.030 1
11 8 8 TYR CA C 58.169 0.300 1
12 8 8 TYR CB C 38.970 0.300 1
13 8 8 TYR CD1 C 133.424 0.300 1
14 8 8 TYR CD2 C 133.424 0.300 1
15 8 8 TYR CE1 C 118.232 0.300 1
16 8 8 TYR CE2 C 118.232 0.300 1
17 8 8 TYR N N 120.371 0.300 1
18 11 11 SER HA H 4.429 0.030 1
19 11 11 SER HB2 H 3.868 0.030 1
20 11 11 SER HB3 H 3.868 0.030 1
21 11 11 SER C C 174.560 0.300 1
22 11 11 SER CA C 58.556 0.300 1
23 11 11 SER CB C 63.922 0.300 1
24 12 12 GLN H H 8.376 0.030 1
25 12 12 GLN HA H 4.363 0.030 1
26 12 12 GLN HB2 H 2.120 0.030 2
27 12 12 GLN HB3 H 1.963 0.030 2
28 12 12 GLN HG2 H 2.339 0.030 1
29 12 12 GLN HG3 H 2.339 0.030 1
30 12 12 GLN HE21 H 7.508 0.030 2
31 12 12 GLN HE22 H 6.818 0.030 2
32 12 12 GLN C C 175.251 0.300 1
33 12 12 GLN CA C 55.556 0.300 1
34 12 12 GLN CB C 29.515 0.300 1
35 12 12 GLN CG C 33.891 0.300 1
36 12 12 GLN N N 121.795 0.300 1
37 12 12 GLN NE2 N 112.516 0.300 1
38 13 13 ALA H H 8.265 0.030 1
39 13 13 ALA HA H 4.532 0.030 1
40 13 13 ALA HB H 1.330 0.030 1
41 13 13 ALA C C 175.251 0.300 1
42 13 13 ALA CA C 50.576 0.300 1
43 13 13 ALA CB C 18.226 0.300 1
44 13 13 ALA N N 126.391 0.300 1
45 14 14 PRO HA H 4.428 0.030 1
46 14 14 PRO HB2 H 2.305 0.030 2
47 14 14 PRO HB3 H 1.948 0.030 2
48 14 14 PRO HG2 H 2.021 0.030 1
49 14 14 PRO HG3 H 2.021 0.030 1
50 14 14 PRO HD2 H 3.760 0.030 2
51 14 14 PRO HD3 H 3.634 0.030 2
52 14 14 PRO C C 177.703 0.300 1
53 14 14 PRO CA C 63.612 0.300 1
54 14 14 PRO CB C 32.027 0.300 1
55 14 14 PRO CG C 27.434 0.300 1
56 14 14 PRO CD C 50.517 0.300 1
57 15 15 GLY H H 8.571 0.030 1
58 15 15 GLY HA2 H 3.957 0.030 1
59 15 15 GLY HA3 H 3.957 0.030 1
60 15 15 GLY C C 174.822 0.300 1
61 15 15 GLY CA C 45.348 0.300 1
62 15 15 GLY N N 109.237 0.300 1
63 16 16 GLY H H 8.270 0.030 1
64 16 16 GLY HA2 H 4.082 0.030 2
65 16 16 GLY HA3 H 3.973 0.030 2
66 16 16 GLY C C 175.121 0.300 1
67 16 16 GLY CA C 45.447 0.300 1
68 16 16 GLY N N 108.654 0.300 1
69 17 17 ILE H H 8.357 0.030 1
70 17 17 ILE HA H 4.238 0.030 1
71 17 17 ILE HB H 1.954 0.030 1
72 17 17 ILE HG12 H 1.280 0.030 2
73 17 17 ILE HG13 H 1.368 0.030 2
74 17 17 ILE HG2 H 0.902 0.030 1
75 17 17 ILE HD1 H 0.845 0.030 1
76 17 17 ILE C C 176.566 0.300 1
77 17 17 ILE CA C 61.166 0.300 1
78 17 17 ILE CB C 38.287 0.300 1
79 17 17 ILE CG1 C 28.397 0.300 1
80 17 17 ILE CG2 C 18.019 0.300 1
81 17 17 ILE CD1 C 13.364 0.300 1
82 17 17 ILE N N 120.160 0.300 1
83 18 18 GLN H H 8.554 0.030 1
84 18 18 GLN HA H 4.015 0.030 1
85 18 18 GLN HB2 H 2.090 0.030 1
86 18 18 GLN HB3 H 2.090 0.030 1
87 18 18 GLN HG2 H 2.428 0.030 1
88 18 18 GLN HG3 H 2.428 0.030 1
89 18 18 GLN HE21 H 7.780 0.030 2
90 18 18 GLN HE22 H 6.799 0.030 2
91 18 18 GLN C C 178.184 0.300 1
92 18 18 GLN CA C 59.356 0.300 1
93 18 18 GLN CB C 28.134 0.300 1
94 18 18 GLN CG C 34.471 0.300 1
95 18 18 GLN N N 121.810 0.300 1
96 18 18 GLN NE2 N 112.582 0.300 1
97 19 19 GLU H H 8.090 0.030 1
98 19 19 GLU HA H 4.136 0.030 1
99 19 19 GLU HB2 H 2.057 0.030 2
100 19 19 GLU HB3 H 2.109 0.030 2
101 19 19 GLU HG2 H 2.284 0.030 1
102 19 19 GLU HG3 H 2.284 0.030 1
103 19 19 GLU C C 178.038 0.300 1
104 19 19 GLU CA C 59.158 0.300 1
105 19 19 GLU CB C 29.546 0.300 1
106 19 19 GLU CG C 36.812 0.300 1
107 19 19 GLU N N 120.457 0.300 1
108 20 20 ILE H H 7.630 0.030 1
109 20 20 ILE HA H 3.825 0.030 1
110 20 20 ILE HB H 2.009 0.030 1
111 20 20 ILE HG12 H 1.174 0.030 2
112 20 20 ILE HG13 H 1.660 0.030 2
113 20 20 ILE HG2 H 0.943 0.030 1
114 20 20 ILE HD1 H 0.836 0.030 1
115 20 20 ILE C C 179.276 0.300 1
116 20 20 ILE CA C 64.088 0.300 1
117 20 20 ILE CB C 37.908 0.300 1
118 20 20 ILE CG1 C 28.407 0.300 1
119 20 20 ILE CG2 C 17.777 0.300 1
120 20 20 ILE CD1 C 12.998 0.300 1
121 20 20 ILE N N 119.670 0.300 1
122 21 21 VAL H H 8.433 0.030 1
123 21 21 VAL HA H 3.754 0.030 1
124 21 21 VAL HB H 2.235 0.030 1
125 21 21 VAL HG1 H 1.103 0.030 1
126 21 21 VAL HG2 H 1.045 0.030 1
127 21 21 VAL C C 178.193 0.300 1
128 21 21 VAL CA C 66.182 0.300 1
129 21 21 VAL CB C 31.754 0.300 1
130 21 21 VAL CG1 C 23.063 0.300 2
131 21 21 VAL CG2 C 22.520 0.300 2
132 21 21 VAL N N 120.198 0.300 1
133 22 22 ALA H H 8.088 0.030 1
134 22 22 ALA HA H 4.112 0.030 1
135 22 22 ALA HB H 1.528 0.030 1
136 22 22 ALA C C 178.816 0.300 1
137 22 22 ALA CA C 54.645 0.300 1
138 22 22 ALA CB C 18.450 0.300 1
139 22 22 ALA N N 121.852 0.300 1
140 23 23 MET H H 7.573 0.030 1
141 23 23 MET HA H 4.650 0.030 1
142 23 23 MET HB2 H 2.249 0.030 2
143 23 23 MET HB3 H 2.090 0.030 2
144 23 23 MET HG2 H 2.736 0.030 2
145 23 23 MET HG3 H 2.680 0.030 2
146 23 23 MET HE H 2.105 0.030 1
147 23 23 MET C C 176.002 0.300 1
148 23 23 MET CA C 54.646 0.300 1
149 23 23 MET CB C 33.034 0.300 1
150 23 23 MET CG C 32.062 0.300 1
151 23 23 MET CE C 16.828 0.300 1
152 23 23 MET N N 113.998 0.300 1
153 24 24 SER H H 7.556 0.030 1
154 24 24 SER HA H 4.704 0.030 1
155 24 24 SER HB2 H 4.169 0.030 1
156 24 24 SER HB3 H 4.169 0.030 1
157 24 24 SER C C 176.002 0.300 1
158 24 24 SER CA C 57.039 0.300 1
159 24 24 SER CB C 64.873 0.300 1
160 24 24 SER N N 117.131 0.300 1
161 25 25 PRO HA H 4.623 0.030 1
162 25 25 PRO HB2 H 2.271 0.030 2
163 25 25 PRO HB3 H 1.819 0.030 2
164 25 25 PRO HG2 H 1.741 0.030 2
165 25 25 PRO HG3 H 1.957 0.030 2
166 25 25 PRO HD2 H 3.830 0.030 2
167 25 25 PRO HD3 H 3.763 0.030 2
168 25 25 PRO C C 174.513 0.300 1
169 25 25 PRO CA C 62.676 0.300 1
170 25 25 PRO CB C 32.367 0.300 1
171 25 25 PRO CG C 26.903 0.300 1
172 25 25 PRO CD C 50.940 0.300 1
173 26 26 GLU H H 8.063 0.030 1
174 26 26 GLU HA H 2.389 0.030 1
175 26 26 GLU HB2 H 1.772 0.030 2
176 26 26 GLU HB3 H 1.631 0.030 2
177 26 26 GLU HG2 H 2.057 0.030 2
178 26 26 GLU HG3 H 1.917 0.030 2
179 26 26 GLU C C 174.513 0.300 1
180 26 26 GLU CA C 56.934 0.300 1
181 26 26 GLU CB C 29.421 0.300 1
182 26 26 GLU CG C 35.795 0.300 1
183 26 26 GLU N N 117.559 0.300 1
184 27 27 LEU H H 4.254 0.030 1
185 27 27 LEU HA H 4.177 0.030 1
186 27 27 LEU HB2 H 0.861 0.030 2
187 27 27 LEU HB3 H 0.980 0.030 2
188 27 27 LEU HG H 0.834 0.030 1
189 27 27 LEU HD1 H 0.502 0.030 1
190 27 27 LEU HD2 H 0.705 0.030 1
191 27 27 LEU C C 175.133 0.300 1
192 27 27 LEU CA C 52.364 0.300 1
193 27 27 LEU CB C 42.828 0.300 1
194 27 27 LEU CG C 25.605 0.300 1
195 27 27 LEU CD1 C 22.227 0.300 2
196 27 27 LEU CD2 C 25.549 0.300 2
197 28 28 ASP H H 8.442 0.030 1
198 28 28 ASP HA H 4.814 0.030 1
199 28 28 ASP HB2 H 3.064 0.030 2
200 28 28 ASP HB3 H 2.579 0.030 2
201 28 28 ASP C C 176.622 0.300 1
202 28 28 ASP CA C 52.271 0.300 1
203 28 28 ASP CB C 40.298 0.300 1
204 28 28 ASP N N 120.472 0.300 1
205 29 29 THR H H 8.403 0.030 1
206 29 29 THR HA H 3.646 0.030 1
207 29 29 THR HB H 3.587 0.030 1
208 29 29 THR HG2 H 0.817 0.030 1
209 29 29 THR C C 176.873 0.300 1
210 29 29 THR CA C 64.970 0.300 1
211 29 29 THR CB C 67.821 0.300 1
212 29 29 THR CG2 C 22.010 0.300 1
213 29 29 THR N N 116.260 0.300 1
214 30 30 TYR H H 7.937 0.030 1
215 30 30 TYR HA H 4.125 0.030 1
216 30 30 TYR HB2 H 3.150 0.030 2
217 30 30 TYR HB3 H 3.242 0.030 2
218 30 30 TYR HD1 H 7.139 0.030 1
219 30 30 TYR HD2 H 7.139 0.030 1
220 30 30 TYR HE1 H 6.819 0.030 1
221 30 30 TYR HE2 H 6.819 0.030 1
222 30 30 TYR C C 177.486 0.300 1
223 30 30 TYR CA C 61.370 0.300 1
224 30 30 TYR CB C 37.384 0.300 1
225 30 30 TYR CD1 C 133.136 0.300 1
226 30 30 TYR CD2 C 133.136 0.300 1
227 30 30 TYR CE1 C 118.262 0.300 1
228 30 30 TYR CE2 C 118.262 0.300 1
229 30 30 TYR N N 123.617 0.300 1
230 31 31 SER H H 7.890 0.030 1
231 31 31 SER HA H 4.042 0.030 1
232 31 31 SER HB2 H 3.911 0.030 1
233 31 31 SER HB3 H 3.911 0.030 1
234 31 31 SER C C 177.451 0.300 1
235 31 31 SER CA C 61.556 0.300 1
236 31 31 SER CB C 62.703 0.300 1
237 31 31 SER N N 115.863 0.300 1
238 32 32 ILE H H 8.238 0.030 1
239 32 32 ILE HA H 3.724 0.030 1
240 32 32 ILE HB H 1.932 0.030 1
241 32 32 ILE HG12 H 1.223 0.030 2
242 32 32 ILE HG13 H 1.859 0.030 2
243 32 32 ILE HG2 H 1.141 0.030 1
244 32 32 ILE HD1 H 0.948 0.030 1
245 32 32 ILE C C 177.609 0.300 1
246 32 32 ILE CA C 65.508 0.300 1
247 32 32 ILE CB C 38.970 0.300 1
248 32 32 ILE CG1 C 29.726 0.300 1
249 32 32 ILE CG2 C 18.857 0.300 1
250 32 32 ILE CD1 C 15.387 0.300 1
251 32 32 ILE N N 120.521 0.300 1
252 33 33 THR H H 7.811 0.030 1
253 33 33 THR HA H 3.884 0.030 1
254 33 33 THR HB H 4.415 0.030 1
255 33 33 THR HG2 H 1.752 0.030 1
256 33 33 THR C C 176.653 0.300 1
257 33 33 THR CA C 66.440 0.300 1
258 33 33 THR CB C 68.769 0.300 1
259 33 33 THR CG2 C 23.897 0.300 1
260 33 33 THR N N 109.275 0.300 1
261 34 34 LYS H H 7.925 0.030 1
262 34 34 LYS HA H 3.901 0.030 1
263 34 34 LYS HB2 H 1.718 0.030 2
264 34 34 LYS HB3 H 1.835 0.030 2
265 34 34 LYS HG2 H 1.305 0.030 2
266 34 34 LYS HG3 H 1.430 0.030 2
267 34 34 LYS HD2 H 1.630 0.030 1
268 34 34 LYS HD3 H 1.630 0.030 1
269 34 34 LYS HE2 H 2.996 0.030 2
270 34 34 LYS HE3 H 2.933 0.030 2
271 34 34 LYS C C 179.032 0.300 1
272 34 34 LYS CA C 60.011 0.300 1
273 34 34 LYS CB C 32.756 0.300 1
274 34 34 LYS CG C 24.699 0.300 1
275 34 34 LYS CD C 29.726 0.300 1
276 34 34 LYS CE C 42.169 0.300 1
277 34 34 LYS N N 123.083 0.300 1
278 35 35 ARG H H 7.996 0.030 1
279 35 35 ARG HA H 4.189 0.030 1
280 35 35 ARG HB2 H 2.049 0.030 2
281 35 35 ARG HB3 H 2.004 0.030 2
282 35 35 ARG HG2 H 1.820 0.030 1
283 35 35 ARG HG3 H 1.820 0.030 1
284 35 35 ARG HD2 H 3.374 0.030 2
285 35 35 ARG HD3 H 3.135 0.030 2
286 35 35 ARG HE H 7.176 0.030 1
287 35 35 ARG C C 178.940 0.300 1
288 35 35 ARG CA C 58.773 0.300 1
289 35 35 ARG CB C 30.437 0.300 1
290 35 35 ARG CG C 27.748 0.300 1
291 35 35 ARG CD C 43.405 0.300 1
292 35 35 ARG N N 118.881 0.300 1
293 35 35 ARG NE N 85.074 0.300 1
294 36 36 VAL H H 8.613 0.030 1
295 36 36 VAL HA H 3.544 0.030 1
296 36 36 VAL HB H 2.041 0.030 1
297 36 36 VAL HG1 H 0.160 0.030 1
298 36 36 VAL HG2 H 1.172 0.030 1
299 36 36 VAL C C 177.274 0.300 1
300 36 36 VAL CA C 67.574 0.300 1
301 36 36 VAL CB C 31.758 0.300 1
302 36 36 VAL CG1 C 21.697 0.300 2
303 36 36 VAL CG2 C 23.607 0.300 2
304 36 36 VAL N N 119.364 0.300 1
305 37 37 LYS H H 8.088 0.030 1
306 37 37 LYS HA H 3.740 0.030 1
307 37 37 LYS HB2 H 1.940 0.030 2
308 37 37 LYS HB3 H 1.851 0.030 2
309 37 37 LYS HG2 H 1.678 0.030 2
310 37 37 LYS HG3 H 1.399 0.030 2
311 37 37 LYS HD2 H 1.680 0.030 1
312 37 37 LYS HD3 H 1.680 0.030 1
313 37 37 LYS HE2 H 2.864 0.030 2
314 37 37 LYS HE3 H 2.963 0.030 2
315 37 37 LYS C C 179.514 0.300 1
316 37 37 LYS CA C 60.969 0.300 1
317 37 37 LYS CB C 31.997 0.300 1
318 37 37 LYS CG C 26.677 0.300 1
319 37 37 LYS CD C 29.478 0.300 1
320 37 37 LYS CE C 41.916 0.300 1
321 37 37 LYS N N 116.614 0.300 1
322 38 38 GLU H H 7.917 0.030 1
323 38 38 GLU HA H 4.012 0.030 1
324 38 38 GLU HB2 H 2.284 0.030 2
325 38 38 GLU HB3 H 2.104 0.030 2
326 38 38 GLU HG2 H 2.524 0.030 2
327 38 38 GLU HG3 H 2.276 0.030 2
328 38 38 GLU C C 177.830 0.300 1
329 38 38 GLU CA C 59.748 0.300 1
330 38 38 GLU CB C 29.797 0.300 1
331 38 38 GLU CG C 36.462 0.300 1
332 38 38 GLU N N 120.458 0.300 1
333 39 39 VAL H H 8.227 0.030 1
334 39 39 VAL HA H 3.729 0.030 1
335 39 39 VAL HB H 2.246 0.030 1
336 39 39 VAL HG1 H 0.886 0.030 1
337 39 39 VAL HG2 H 1.065 0.030 1
338 39 39 VAL C C 180.425 0.300 1
339 39 39 VAL CA C 66.801 0.300 1
340 39 39 VAL CB C 31.951 0.300 1
341 39 39 VAL CG1 C 22.819 0.300 2
342 39 39 VAL CG2 C 22.521 0.300 2
343 39 39 VAL N N 119.767 0.300 1
344 40 40 LEU H H 8.611 0.030 1
345 40 40 LEU HA H 4.014 0.030 1
346 40 40 LEU HB2 H 1.804 0.030 2
347 40 40 LEU HB3 H 1.690 0.030 2
348 40 40 LEU HG H 1.742 0.030 1
349 40 40 LEU HD1 H 0.145 0.030 1
350 40 40 LEU HD2 H 0.429 0.030 1
351 40 40 LEU C C 179.568 0.300 1
352 40 40 LEU CA C 58.935 0.300 1
353 40 40 LEU CB C 39.869 0.300 1
354 40 40 LEU CG C 25.808 0.300 1
355 40 40 LEU CD1 C 25.152 0.300 2
356 40 40 LEU CD2 C 22.037 0.300 2
357 40 40 LEU N N 119.276 0.300 1
358 41 41 THR H H 8.351 0.030 1
359 41 41 THR HA H 4.045 0.030 1
360 41 41 THR HB H 4.297 0.030 1
361 41 41 THR HG2 H 1.309 0.030 1
362 41 41 THR C C 178.535 0.300 1
363 41 41 THR CA C 66.669 0.300 1
364 41 41 THR CB C 68.907 0.300 1
365 41 41 THR CG2 C 21.562 0.300 1
366 41 41 THR N N 115.536 0.300 1
367 42 42 ASP H H 8.916 0.030 1
368 42 42 ASP HA H 4.422 0.030 1
369 42 42 ASP HB2 H 2.787 0.030 2
370 42 42 ASP HB3 H 2.602 0.030 2
371 42 42 ASP C C 177.057 0.300 1
372 42 42 ASP CA C 57.164 0.300 1
373 42 42 ASP CB C 40.456 0.300 1
374 42 42 ASP N N 122.785 0.300 1
375 43 43 ASN H H 7.276 0.030 1
376 43 43 ASN HA H 4.855 0.030 1
377 43 43 ASN HB2 H 2.523 0.030 2
378 43 43 ASN HB3 H 2.770 0.030 2
379 43 43 ASN HD21 H 8.625 0.030 2
380 43 43 ASN HD22 H 7.746 0.030 2
381 43 43 ASN C C 173.015 0.300 1
382 43 43 ASN CA C 53.303 0.300 1
383 43 43 ASN CB C 40.855 0.300 1
384 43 43 ASN N N 112.779 0.300 1
385 43 43 ASN ND2 N 119.736 0.300 1
386 44 44 ASN H H 7.924 0.030 1
387 44 44 ASN HA H 4.454 0.030 1
388 44 44 ASN HB2 H 3.123 0.030 2
389 44 44 ASN HB3 H 2.714 0.030 2
390 44 44 ASN HD21 H 7.558 0.030 2
391 44 44 ASN HD22 H 6.855 0.030 2
392 44 44 ASN C C 173.933 0.300 1
393 44 44 ASN CA C 54.488 0.300 1
394 44 44 ASN CB C 37.151 0.300 1
395 44 44 ASN N N 117.460 0.300 1
396 44 44 ASN ND2 N 112.247 0.300 1
397 45 45 LEU H H 8.514 0.030 1
398 45 45 LEU HA H 4.661 0.030 1
399 45 45 LEU HB2 H 1.798 0.030 2
400 45 45 LEU HB3 H 1.328 0.030 2
401 45 45 LEU HG H 1.698 0.030 1
402 45 45 LEU HD1 H 1.094 0.030 1
403 45 45 LEU HD2 H 0.930 0.030 1
404 45 45 LEU C C 176.521 0.300 1
405 45 45 LEU CA C 53.431 0.300 1
406 45 45 LEU CB C 45.339 0.300 1
407 45 45 LEU CG C 26.068 0.300 1
408 45 45 LEU CD1 C 26.819 0.300 2
409 45 45 LEU CD2 C 23.235 0.300 2
410 45 45 LEU N N 118.542 0.300 1
411 46 46 GLY H H 8.455 0.030 1
412 46 46 GLY HA2 H 4.095 0.030 2
413 46 46 GLY HA3 H 3.972 0.030 2
414 46 46 GLY C C 174.087 0.300 1
415 46 46 GLY CA C 45.141 0.300 1
416 46 46 GLY N N 108.995 0.300 1
417 47 47 GLN H H 8.565 0.030 1
418 47 47 GLN HA H 3.854 0.030 1
419 47 47 GLN HB2 H 1.937 0.030 1
420 47 47 GLN HB3 H 1.937 0.030 1
421 47 47 GLN HG2 H 2.512 0.030 2
422 47 47 GLN HG3 H 1.984 0.030 2
423 47 47 GLN HE21 H 7.483 0.030 2
424 47 47 GLN HE22 H 6.758 0.030 2
425 47 47 GLN C C 178.300 0.300 1
426 47 47 GLN CA C 59.349 0.300 1
427 47 47 GLN CB C 28.755 0.300 1
428 47 47 GLN CG C 34.818 0.300 1
429 47 47 GLN N N 120.390 0.300 1
430 47 47 GLN NE2 N 108.805 0.300 1
431 48 48 ARG H H 8.692 0.030 1
432 48 48 ARG HA H 3.947 0.030 1
433 48 48 ARG HB2 H 1.888 0.030 1
434 48 48 ARG HB3 H 1.888 0.030 1
435 48 48 ARG HG2 H 1.498 0.030 2
436 48 48 ARG HG3 H 1.648 0.030 2
437 48 48 ARG HD2 H 3.159 0.030 1
438 48 48 ARG HD3 H 3.159 0.030 1
439 48 48 ARG C C 178.111 0.300 1
440 48 48 ARG CA C 60.147 0.300 1
441 48 48 ARG CB C 29.215 0.300 1
442 48 48 ARG CG C 27.176 0.300 1
443 48 48 ARG CD C 43.529 0.300 1
444 48 48 ARG N N 120.753 0.300 1
445 49 49 LEU H H 7.821 0.030 1
446 49 49 LEU HA H 4.210 0.030 1
447 49 49 LEU HB2 H 1.831 0.030 2
448 49 49 LEU HB3 H 1.708 0.030 2
449 49 49 LEU HG H 1.511 0.030 1
450 49 49 LEU HD1 H 1.005 0.030 1
451 49 49 LEU HD2 H 0.951 0.030 1
452 49 49 LEU C C 179.139 0.300 1
453 49 49 LEU CA C 57.876 0.300 1
454 49 49 LEU CB C 41.566 0.300 1
455 49 49 LEU CG C 27.406 0.300 1
456 49 49 LEU CD1 C 26.577 0.300 2
457 49 49 LEU CD2 C 23.225 0.300 2
458 49 49 LEU N N 121.198 0.300 1
459 50 50 PHE H H 7.901 0.030 1
460 50 50 PHE HA H 3.777 0.030 1
461 50 50 PHE HB2 H 2.846 0.030 1
462 50 50 PHE HB3 H 2.846 0.030 1
463 50 50 PHE HD1 H 6.351 0.030 1
464 50 50 PHE HD2 H 6.351 0.030 1
465 50 50 PHE HE1 H 5.846 0.030 1
466 50 50 PHE HE2 H 5.846 0.030 1
467 50 50 PHE HZ H 6.460 0.030 1
468 50 50 PHE C C 176.876 0.300 1
469 50 50 PHE CA C 61.704 0.300 1
470 50 50 PHE CB C 39.952 0.300 1
471 50 50 PHE CD1 C 130.714 0.300 1
472 50 50 PHE CD2 C 130.714 0.300 1
473 50 50 PHE CE1 C 130.565 0.300 1
474 50 50 PHE CE2 C 130.565 0.300 1
475 50 50 PHE CZ C 128.181 0.300 1
476 50 50 PHE N N 118.910 0.300 1
477 51 51 GLY H H 8.966 0.030 1
478 51 51 GLY HA2 H 3.101 0.030 2
479 51 51 GLY HA3 H 3.793 0.030 2
480 51 51 GLY C C 175.575 0.300 1
481 51 51 GLY CA C 47.936 0.300 1
482 51 51 GLY N N 106.702 0.300 1
483 52 52 GLU H H 8.405 0.030 1
484 52 52 GLU HA H 4.008 0.030 1
485 52 52 GLU HB2 H 2.049 0.030 2
486 52 52 GLU HB3 H 1.951 0.030 2
487 52 52 GLU HG2 H 2.393 0.030 2
488 52 52 GLU HG3 H 2.193 0.030 2
489 52 52 GLU C C 178.839 0.300 1
490 52 52 GLU CA C 59.545 0.300 1
491 52 52 GLU CB C 30.387 0.300 1
492 52 52 GLU CG C 36.657 0.300 1
493 52 52 GLU N N 120.721 0.300 1
494 53 53 SER H H 8.156 0.030 1
495 53 53 SER HA H 4.232 0.030 1
496 53 53 SER HB2 H 3.809 0.030 2
497 53 53 SER HB3 H 3.755 0.030 2
498 53 53 SER C C 174.819 0.300 1
499 53 53 SER CA C 61.526 0.300 1
500 53 53 SER CB C 64.060 0.300 1
501 53 53 SER N N 112.083 0.300 1
502 54 54 ILE H H 7.834 0.030 1
503 54 54 ILE HA H 4.015 0.030 1
504 54 54 ILE HB H 0.909 0.030 1
505 54 54 ILE HG12 H 0.418 0.030 2
506 54 54 ILE HG13 H 1.190 0.030 2
507 54 54 ILE HG2 H 0.316 0.030 1
508 54 54 ILE HD1 H 0.669 0.030 1
509 54 54 ILE C C 177.273 0.300 1
510 54 54 ILE CA C 59.515 0.300 1
511 54 54 ILE CB C 34.437 0.300 1
512 54 54 ILE CG1 C 27.006 0.300 1
513 54 54 ILE CG2 C 16.967 0.300 1
514 54 54 ILE CD1 C 8.630 0.300 1
515 54 54 ILE N N 117.090 0.300 1
516 55 55 LEU H H 6.385 0.030 1
517 55 55 LEU HA H 4.274 0.030 1
518 55 55 LEU HB2 H 1.925 0.030 2
519 55 55 LEU HB3 H 1.338 0.030 2
520 55 55 LEU HG H 0.905 0.030 1
521 55 55 LEU HD1 H 0.717 0.030 1
522 55 55 LEU HD2 H 0.622 0.030 1
523 55 55 LEU C C 176.979 0.300 1
524 55 55 LEU CA C 54.487 0.300 1
525 55 55 LEU CB C 42.239 0.300 1
526 55 55 LEU CG C 26.068 0.300 1
527 55 55 LEU CD1 C 26.882 0.300 2
528 55 55 LEU CD2 C 23.492 0.300 2
529 55 55 LEU N N 113.526 0.300 1
530 56 56 GLY H H 7.286 0.030 1
531 56 56 GLY HA2 H 3.872 0.030 2
532 56 56 GLY HA3 H 3.797 0.030 2
533 56 56 GLY C C 174.156 0.300 1
534 56 56 GLY CA C 46.792 0.300 1
535 56 56 GLY N N 108.832 0.300 1
536 57 57 LEU H H 7.505 0.030 1
537 57 57 LEU HA H 4.684 0.030 1
538 57 57 LEU HB2 H 1.473 0.030 2
539 57 57 LEU HB3 H 1.155 0.030 2
540 57 57 LEU HG H 1.420 0.030 1
541 57 57 LEU HD1 H 0.656 0.030 1
542 57 57 LEU HD2 H 0.808 0.030 1
543 57 57 LEU C C 176.703 0.300 1
544 57 57 LEU CA C 53.237 0.300 1
545 57 57 LEU CB C 45.675 0.300 1
546 57 57 LEU CG C 25.808 0.300 1
547 57 57 LEU CD1 C 26.052 0.300 2
548 57 57 LEU CD2 C 22.374 0.300 2
549 57 57 LEU N N 119.059 0.300 1
550 58 58 THR H H 7.973 0.030 1
551 58 58 THR HA H 4.352 0.030 1
552 58 58 THR HB H 4.550 0.030 1
553 58 58 THR HG2 H 1.289 0.030 1
554 58 58 THR C C 175.758 0.300 1
555 58 58 THR CA C 61.035 0.300 1
556 58 58 THR CB C 70.779 0.300 1
557 58 58 THR CG2 C 21.969 0.300 1
558 58 58 THR N N 110.118 0.300 1
559 59 59 GLN H H 8.841 0.030 1
560 59 59 GLN HA H 4.023 0.030 1
561 59 59 GLN HB2 H 2.050 0.030 1
562 59 59 GLN HB3 H 2.050 0.030 1
563 59 59 GLN HG2 H 2.363 0.030 2
564 59 59 GLN HG3 H 2.299 0.030 2
565 59 59 GLN HE21 H 7.567 0.030 2
566 59 59 GLN HE22 H 6.843 0.030 2
567 59 59 GLN C C 175.758 0.300 1
568 59 59 GLN CA C 58.737 0.300 1
569 59 59 GLN CB C 28.700 0.300 1
570 59 59 GLN CG C 33.586 0.300 1
571 59 59 GLN N N 120.563 0.300 1
572 59 59 GLN NE2 N 111.613 0.300 1
573 60 60 GLY H H 8.774 0.030 1
574 60 60 GLY HA2 H 3.924 0.030 2
575 60 60 GLY HA3 H 3.823 0.030 2
576 60 60 GLY C C 175.903 0.300 1
577 60 60 GLY CA C 46.519 0.300 1
578 61 61 SER H H 7.628 0.030 1
579 61 61 SER HA H 4.426 0.030 1
580 61 61 SER HB2 H 3.933 0.030 2
581 61 61 SER HB3 H 3.855 0.030 2
582 61 61 SER C C 176.775 0.300 1
583 61 61 SER CA C 60.704 0.300 1
584 61 61 SER CB C 63.504 0.300 1
585 61 61 SER N N 116.718 0.300 1
586 62 62 VAL H H 8.450 0.030 1
587 62 62 VAL HA H 3.650 0.030 1
588 62 62 VAL HB H 2.026 0.030 1
589 62 62 VAL HG1 H 0.973 0.030 1
590 62 62 VAL HG2 H 0.943 0.030 1
591 62 62 VAL C C 176.141 0.300 1
592 62 62 VAL CA C 65.670 0.300 1
593 62 62 VAL CB C 31.159 0.300 1
594 62 62 VAL CG1 C 20.798 0.300 2
595 62 62 VAL CG2 C 23.939 0.300 2
596 62 62 VAL N N 122.855 0.300 1
597 63 63 SER H H 8.152 0.030 1
598 63 63 SER HA H 4.138 0.030 1
599 63 63 SER HB2 H 3.969 0.030 1
600 63 63 SER HB3 H 3.969 0.030 1
601 63 63 SER C C 177.502 0.300 1
602 63 63 SER CA C 61.537 0.300 1
603 63 63 SER CB C 62.736 0.300 1
604 63 63 SER N N 115.838 0.300 1
605 64 64 ASP H H 7.571 0.030 1
606 64 64 ASP HA H 4.372 0.030 1
607 64 64 ASP HB2 H 2.725 0.030 1
608 64 64 ASP HB3 H 2.725 0.030 1
609 64 64 ASP C C 177.419 0.300 1
610 64 64 ASP CA C 57.776 0.300 1
611 64 64 ASP CB C 41.537 0.300 1
612 64 64 ASP N N 121.374 0.300 1
613 65 65 LEU H H 7.536 0.030 1
614 65 65 LEU HA H 4.110 0.030 1
615 65 65 LEU HB2 H 1.724 0.030 2
616 65 65 LEU HB3 H 1.350 0.030 2
617 65 65 LEU HG H 1.694 0.030 1
618 65 65 LEU HD1 H 0.717 0.030 1
619 65 65 LEU HD2 H 0.598 0.030 1
620 65 65 LEU C C 176.886 0.300 1
621 65 65 LEU CA C 58.092 0.300 1
622 65 65 LEU CB C 42.744 0.300 1
623 65 65 LEU CG C 26.588 0.300 1
624 65 65 LEU CD1 C 24.864 0.300 2
625 65 65 LEU CD2 C 26.100 0.300 2
626 65 65 LEU N N 119.395 0.300 1
627 66 66 LEU H H 7.767 0.030 1
628 66 66 LEU HA H 4.182 0.030 1
629 66 66 LEU HB2 H 1.817 0.030 2
630 66 66 LEU HB3 H 1.268 0.030 2
631 66 66 LEU HG H 1.843 0.030 1
632 66 66 LEU HD1 H 0.630 0.030 1
633 66 66 LEU HD2 H 0.736 0.030 1
634 66 66 LEU C C 178.404 0.300 1
635 66 66 LEU CA C 55.954 0.300 1
636 66 66 LEU CB C 41.931 0.300 1
637 66 66 LEU CG C 26.978 0.300 1
638 66 66 LEU CD1 C 25.241 0.300 2
639 66 66 LEU CD2 C 22.940 0.300 2
640 66 66 LEU N N 109.251 0.300 1
641 67 67 SER H H 7.918 0.030 1
642 67 67 SER HA H 4.561 0.030 1
643 67 67 SER HB2 H 3.963 0.030 1
644 67 67 SER HB3 H 3.963 0.030 1
645 67 67 SER C C 174.942 0.300 1
646 67 67 SER CA C 59.907 0.300 1
647 67 67 SER CB C 64.365 0.300 1
648 67 67 SER N N 111.899 0.300 1
649 68 68 ARG H H 8.073 0.030 1
650 68 68 ARG HA H 4.839 0.030 1
651 68 68 ARG HB2 H 1.782 0.030 2
652 68 68 ARG HB3 H 1.875 0.030 2
653 68 68 ARG HG2 H 1.595 0.030 1
654 68 68 ARG HG3 H 1.595 0.030 1
655 68 68 ARG HD2 H 3.216 0.030 2
656 68 68 ARG HD3 H 3.289 0.030 2
657 68 68 ARG C C 174.942 0.300 1
658 68 68 ARG CA C 53.828 0.300 1
659 68 68 ARG CB C 30.532 0.300 1
660 68 68 ARG CG C 26.788 0.300 1
661 68 68 ARG CD C 43.750 0.300 1
662 68 68 ARG N N 121.120 0.300 1
663 69 69 PRO HA H 4.709 0.030 1
664 69 69 PRO HB2 H 2.680 0.030 2
665 69 69 PRO HB3 H 1.657 0.030 2
666 69 69 PRO HG2 H 2.168 0.030 2
667 69 69 PRO HG3 H 1.956 0.030 2
668 69 69 PRO HD2 H 3.519 0.030 2
669 69 69 PRO HD3 H 3.413 0.030 2
670 69 69 PRO C C 177.510 0.300 1
671 69 69 PRO CA C 63.496 0.300 1
672 69 69 PRO CB C 31.518 0.300 1
673 69 69 PRO CG C 27.059 0.300 1
674 69 69 PRO CD C 50.133 0.300 1
675 70 70 LYS H H 8.161 0.030 1
676 70 70 LYS HA H 4.554 0.030 1
677 70 70 LYS HB2 H 1.597 0.030 1
678 70 70 LYS HB3 H 1.597 0.030 1
679 70 70 LYS HG2 H 1.523 0.030 2
680 70 70 LYS HG3 H 1.700 0.030 2
681 70 70 LYS HE2 H 3.042 0.030 2
682 70 70 LYS C C 177.510 0.300 1
683 70 70 LYS CA C 54.270 0.300 1
684 70 70 LYS CB C 32.469 0.300 1
685 70 70 LYS CG C 25.866 0.300 1
686 70 70 LYS CE C 42.322 0.300 1
687 70 70 LYS N N 123.129 0.300 1
688 71 71 PRO HA H 4.443 0.030 1
689 71 71 PRO HB2 H 2.473 0.030 2
690 71 71 PRO HB3 H 1.782 0.030 2
691 71 71 PRO HG2 H 2.109 0.030 2
692 71 71 PRO HG3 H 1.793 0.030 2
693 71 71 PRO HD2 H 3.376 0.030 2
694 71 71 PRO HD3 H 3.871 0.030 2
695 71 71 PRO C C 177.054 0.300 1
696 71 71 PRO CA C 62.364 0.300 1
697 71 71 PRO CB C 32.551 0.300 1
698 71 71 PRO CG C 27.681 0.300 1
699 71 71 PRO CD C 50.318 0.300 1
700 72 72 TRP H H 9.222 0.030 1
701 72 72 TRP HA H 4.014 0.030 1
702 72 72 TRP HB2 H 3.882 0.030 2
703 72 72 TRP HB3 H 3.294 0.030 2
704 72 72 TRP HD1 H 6.937 0.030 1
705 72 72 TRP HE1 H 10.633 0.030 1
706 72 72 TRP HE3 H 7.221 0.030 1
707 72 72 TRP HZ2 H 7.481 0.030 1
708 72 72 TRP HH2 H 7.097 0.030 1
709 72 72 TRP C C 178.633 0.300 1
710 72 72 TRP CA C 60.974 0.300 1
711 72 72 TRP CB C 30.900 0.300 1
712 72 72 TRP CD1 C 127.496 0.300 1
713 72 72 TRP CE3 C 119.751 0.300 1
714 72 72 TRP CZ2 C 116.415 0.300 1
715 72 72 TRP CZ3 C 121.628 0.300 1
716 72 72 TRP CH2 C 124.130 0.300 1
717 72 72 TRP N N 122.913 0.300 1
718 72 72 TRP NE1 N 131.542 0.300 1
719 73 73 HIS H H 8.546 0.030 1
720 73 73 HIS HA H 4.344 0.030 1
721 73 73 HIS HB2 H 3.279 0.030 1
722 73 73 HIS HB3 H 3.279 0.030 1
723 73 73 HIS HD2 H 7.127 0.030 1
724 73 73 HIS HE1 H 7.858 0.030 1
725 73 73 HIS C C 176.082 0.300 1
726 73 73 HIS CA C 58.637 0.300 1
727 73 73 HIS CB C 29.667 0.300 1
728 73 73 HIS CD2 C 119.692 0.300 1
729 73 73 HIS CE1 C 139.130 0.300 1
730 73 73 HIS N N 111.644 0.300 1
731 74 74 LYS H H 7.610 0.030 1
732 74 74 LYS HA H 4.322 0.030 1
733 74 74 LYS HB2 H 1.982 0.030 2
734 74 74 LYS HB3 H 1.540 0.030 2
735 74 74 LYS HG2 H 1.017 0.030 2
736 74 74 LYS HG3 H 1.125 0.030 2
737 74 74 LYS HD2 H 1.651 0.030 2
738 74 74 LYS HD3 H 1.549 0.030 2
739 74 74 LYS HE2 H 2.996 0.030 1
740 74 74 LYS HE3 H 2.996 0.030 1
741 74 74 LYS C C 175.918 0.300 1
742 74 74 LYS CA C 55.025 0.300 1
743 74 74 LYS CB C 32.672 0.300 1
744 74 74 LYS CG C 24.700 0.300 1
745 74 74 LYS CD C 28.507 0.300 1
746 74 74 LYS CE C 42.020 0.300 1
747 74 74 LYS N N 118.258 0.300 1
748 75 75 LEU H H 7.164 0.030 1
749 75 75 LEU HA H 4.467 0.030 1
750 75 75 LEU HB2 H 1.120 0.030 2
751 75 75 LEU HB3 H 1.543 0.030 2
752 75 75 LEU HG H 1.518 0.030 1
753 75 75 LEU HD1 H 0.671 0.030 1
754 75 75 LEU HD2 H 0.858 0.030 1
755 75 75 LEU C C 177.333 0.300 1
756 75 75 LEU CA C 53.729 0.300 1
757 75 75 LEU CB C 45.886 0.300 1
758 75 75 LEU CG C 25.678 0.300 1
759 75 75 LEU CD1 C 27.498 0.300 2
760 75 75 LEU CD2 C 24.152 0.300 2
761 75 75 LEU N N 120.852 0.300 1
762 76 76 SER H H 8.374 0.030 1
763 76 76 SER HA H 4.368 0.030 1
764 76 76 SER HB2 H 4.352 0.030 2
765 76 76 SER HB3 H 4.017 0.030 2
766 76 76 SER C C 174.237 0.300 1
767 76 76 SER CA C 56.542 0.300 1
768 76 76 SER CB C 65.225 0.300 1
769 76 76 SER N N 117.653 0.300 1
770 77 77 LEU H H 8.508 0.030 1
771 77 77 LEU HA H 3.735 0.030 1
772 77 77 LEU HB2 H 1.786 0.030 2
773 77 77 LEU HB3 H 1.578 0.030 2
774 77 77 LEU HG H 1.728 0.030 1
775 77 77 LEU HD1 H 0.951 0.030 1
776 77 77 LEU HD2 H 0.843 0.030 1
777 77 77 LEU C C 180.339 0.300 1
778 77 77 LEU CA C 59.564 0.300 1
779 77 77 LEU CB C 40.769 0.300 1
780 77 77 LEU CG C 27.364 0.300 1
781 77 77 LEU CD1 C 25.084 0.300 2
782 77 77 LEU CD2 C 23.548 0.300 2
783 77 77 LEU N N 120.009 0.300 1
784 78 78 LYS H H 8.201 0.030 1
785 78 78 LYS HA H 4.123 0.030 1
786 78 78 LYS HB2 H 1.790 0.030 2
787 78 78 LYS HB3 H 1.724 0.030 2
788 78 78 LYS HG2 H 1.460 0.030 1
789 78 78 LYS HG3 H 1.460 0.030 1
790 78 78 LYS HD2 H 1.723 0.030 2
791 78 78 LYS HD3 H 1.666 0.030 2
792 78 78 LYS HE2 H 2.967 0.030 1
793 78 78 LYS HE3 H 2.967 0.030 1
794 78 78 LYS C C 180.023 0.300 1
795 78 78 LYS CA C 58.588 0.300 1
796 78 78 LYS CB C 32.049 0.300 1
797 78 78 LYS CG C 24.747 0.300 1
798 78 78 LYS CD C 28.550 0.300 1
799 78 78 LYS CE C 42.052 0.300 1
800 78 78 LYS N N 118.144 0.300 1
801 79 79 GLY H H 8.112 0.030 1
802 79 79 GLY HA2 H 3.969 0.030 2
803 79 79 GLY HA3 H 3.792 0.030 2
804 79 79 GLY C C 175.403 0.300 1
805 79 79 GLY CA C 46.587 0.300 1
806 79 79 GLY N N 109.446 0.300 1
807 80 80 ARG H H 7.878 0.030 1
808 80 80 ARG HA H 4.141 0.030 1
809 80 80 ARG HB2 H 1.642 0.030 1
810 80 80 ARG HB3 H 1.642 0.030 1
811 80 80 ARG HG2 H -0.002 0.030 2
812 80 80 ARG HG3 H 1.482 0.030 2
813 80 80 ARG HD2 H 1.977 0.030 2
814 80 80 ARG HD3 H 2.185 0.030 2
815 80 80 ARG HE H 4.940 0.030 1
816 80 80 ARG C C 178.379 0.300 1
817 80 80 ARG CA C 58.579 0.300 1
818 80 80 ARG CB C 31.572 0.300 1
819 80 80 ARG CG C 28.737 0.300 1
820 80 80 ARG CD C 43.734 0.300 1
821 80 80 ARG N N 118.024 0.300 1
822 81 81 GLU H H 7.488 0.030 1
823 81 81 GLU HA H 3.985 0.030 1
824 81 81 GLU HB2 H 2.291 0.030 2
825 81 81 GLU HB3 H 2.178 0.030 2
826 81 81 GLU HG2 H 2.524 0.030 2
827 81 81 GLU HG3 H 2.108 0.030 2
828 81 81 GLU C C 178.379 0.300 1
829 81 81 GLU CA C 61.756 0.300 1
830 81 81 GLU CB C 27.475 0.300 1
831 81 81 GLU CG C 36.794 0.300 1
832 81 81 GLU N N 118.760 0.300 1
833 82 82 PRO HA H 4.232 0.030 1
834 82 82 PRO HB2 H 2.073 0.030 2
835 82 82 PRO HB3 H 1.091 0.030 2
836 82 82 PRO HG2 H 1.835 0.030 2
837 82 82 PRO HG3 H 2.064 0.030 2
838 82 82 PRO HD2 H 3.655 0.030 2
839 82 82 PRO HD3 H 4.033 0.030 2
840 82 82 PRO C C 178.214 0.300 1
841 82 82 PRO CA C 65.737 0.300 1
842 82 82 PRO CB C 31.175 0.300 1
843 82 82 PRO CG C 28.080 0.300 1
844 82 82 PRO CD C 49.786 0.300 1
845 83 83 PHE H H 6.982 0.030 1
846 83 83 PHE HA H 4.349 0.030 1
847 83 83 PHE HB2 H 3.363 0.030 2
848 83 83 PHE HB3 H 3.220 0.030 2
849 83 83 PHE HD1 H 7.389 0.030 1
850 83 83 PHE HD2 H 7.389 0.030 1
851 83 83 PHE HE1 H 7.495 0.030 1
852 83 83 PHE HE2 H 7.495 0.030 1
853 83 83 PHE HZ H 7.617 0.030 1
854 83 83 PHE C C 177.532 0.300 1
855 83 83 PHE CA C 62.172 0.300 1
856 83 83 PHE CB C 39.177 0.300 1
857 83 83 PHE CD1 C 131.190 0.300 1
858 83 83 PHE CD2 C 131.190 0.300 1
859 83 83 PHE CE1 C 132.769 0.300 1
860 83 83 PHE CE2 C 132.769 0.300 1
861 83 83 PHE CZ C 131.011 0.300 1
862 83 83 PHE N N 114.836 0.300 1
863 84 84 VAL H H 7.993 0.030 1
864 84 84 VAL HA H 3.794 0.030 1
865 84 84 VAL HB H 2.302 0.030 1
866 84 84 VAL HG1 H 1.030 0.030 1
867 84 84 VAL HG2 H 1.434 0.030 1
868 84 84 VAL C C 178.403 0.300 1
869 84 84 VAL CA C 66.731 0.300 1
870 84 84 VAL CB C 31.718 0.300 1
871 84 84 VAL CG1 C 21.387 0.300 2
872 84 84 VAL CG2 C 23.858 0.300 2
873 84 84 VAL N N 120.841 0.300 1
874 85 85 ARG H H 8.376 0.030 1
875 85 85 ARG HA H 4.003 0.030 1
876 85 85 ARG HB2 H 1.862 0.030 2
877 85 85 ARG HB3 H 1.604 0.030 2
878 85 85 ARG HG2 H 1.621 0.030 2
879 85 85 ARG HG3 H 1.847 0.030 2
880 85 85 ARG HD2 H 3.196 0.030 2
881 85 85 ARG HD3 H 3.309 0.030 2
882 85 85 ARG HE H 7.789 0.030 1
883 85 85 ARG C C 180.123 0.300 1
884 85 85 ARG CA C 60.541 0.300 1
885 85 85 ARG CB C 30.234 0.300 1
886 85 85 ARG CG C 29.320 0.300 1
887 85 85 ARG CD C 43.393 0.300 1
888 85 85 ARG N N 117.681 0.300 1
889 85 85 ARG NE N 84.733 0.300 1
890 86 86 MET H H 8.451 0.030 1
891 86 86 MET HA H 3.996 0.030 1
892 86 86 MET HB2 H 1.890 0.030 2
893 86 86 MET HB3 H 2.550 0.030 2
894 86 86 MET HG2 H 3.149 0.030 2
895 86 86 MET HG3 H 2.555 0.030 2
896 86 86 MET HE H 1.565 0.030 1
897 86 86 MET C C 176.733 0.300 1
898 86 86 MET CA C 61.115 0.300 1
899 86 86 MET CB C 34.593 0.300 1
900 86 86 MET CG C 34.592 0.300 1
901 86 86 MET CE C 18.423 0.300 1
902 86 86 MET N N 118.656 0.300 1
903 87 87 GLN H H 8.283 0.030 1
904 87 87 GLN HA H 4.192 0.030 1
905 87 87 GLN HB2 H 2.411 0.030 2
906 87 87 GLN HB3 H 2.221 0.030 2
907 87 87 GLN HG2 H 2.351 0.030 2
908 87 87 GLN HG3 H 2.284 0.030 2
909 87 87 GLN HE21 H 7.243 0.030 2
910 87 87 GLN HE22 H 6.568 0.030 2
911 87 87 GLN C C 178.184 0.300 1
912 87 87 GLN CA C 59.293 0.300 1
913 87 87 GLN CB C 28.537 0.300 1
914 87 87 GLN CG C 33.531 0.300 1
915 87 87 GLN N N 120.611 0.300 1
916 87 87 GLN NE2 N 111.296 0.300 1
917 88 88 LEU H H 8.364 0.030 1
918 88 88 LEU HA H 4.069 0.030 1
919 88 88 LEU HB2 H 1.970 0.030 2
920 88 88 LEU HB3 H 1.581 0.030 2
921 88 88 LEU HG H 1.937 0.030 1
922 88 88 LEU HD1 H 0.909 0.030 1
923 88 88 LEU HD2 H 0.898 0.030 1
924 88 88 LEU C C 180.148 0.300 1
925 88 88 LEU CA C 58.200 0.300 1
926 88 88 LEU CB C 41.702 0.300 1
927 88 88 LEU CG C 26.983 0.300 1
928 88 88 LEU CD1 C 22.717 0.300 2
929 88 88 LEU CD2 C 25.571 0.300 2
930 88 88 LEU N N 118.784 0.300 1
931 89 89 TRP H H 8.185 0.030 1
932 89 89 TRP HA H 4.354 0.030 1
933 89 89 TRP HB2 H 3.719 0.030 2
934 89 89 TRP HB3 H 3.333 0.030 2
935 89 89 TRP HD1 H 7.563 0.030 1
936 89 89 TRP HE1 H 10.215 0.030 1
937 89 89 TRP HE3 H 7.506 0.030 1
938 89 89 TRP HZ2 H 7.086 0.030 1
939 89 89 TRP HH2 H 6.744 0.030 1
940 89 89 TRP C C 179.445 0.300 1
941 89 89 TRP CA C 62.249 0.300 1
942 89 89 TRP CB C 28.443 0.300 1
943 89 89 TRP CD1 C 128.420 0.300 1
944 89 89 TRP CE3 C 119.811 0.300 1
945 89 89 TRP CZ2 C 113.376 0.300 1
946 89 89 TRP CZ3 C 121.985 0.300 1
947 89 89 TRP CH2 C 124.428 0.300 1
948 89 89 TRP N N 121.383 0.300 1
949 89 89 TRP NE1 N 130.170 0.300 1
950 90 90 LEU H H 8.749 0.030 1
951 90 90 LEU HA H 3.589 0.030 1
952 90 90 LEU HB2 H 2.158 0.030 2
953 90 90 LEU HB3 H 1.377 0.030 2
954 90 90 LEU HG H 2.169 0.030 1
955 90 90 LEU HD1 H 1.042 0.030 1
956 90 90 LEU HD2 H 0.939 0.030 1
957 90 90 LEU C C 178.114 0.300 1
958 90 90 LEU CA C 57.296 0.300 1
959 90 90 LEU CB C 42.445 0.300 1
960 90 90 LEU CG C 27.085 0.300 1
961 90 90 LEU CD1 C 26.580 0.300 2
962 90 90 LEU CD2 C 23.080 0.300 2
963 90 90 LEU N N 119.064 0.300 1
964 91 91 ASN H H 7.422 0.030 1
965 91 91 ASN HA H 4.542 0.030 1
966 91 91 ASN HB2 H 2.969 0.030 2
967 91 91 ASN HB3 H 2.778 0.030 2
968 91 91 ASN HD21 H 7.599 0.030 2
969 91 91 ASN HD22 H 6.887 0.030 2
970 91 91 ASN C C 174.280 0.300 1
971 91 91 ASN CA C 53.229 0.300 1
972 91 91 ASN CB C 39.045 0.300 1
973 91 91 ASN N N 115.142 0.300 1
974 91 91 ASN ND2 N 110.746 0.300 1
975 92 92 ASP H H 7.202 0.030 1
976 92 92 ASP HA H 4.928 0.030 1
977 92 92 ASP HB2 H 2.994 0.030 2
978 92 92 ASP HB3 H 2.640 0.030 2
979 92 92 ASP C C 174.280 0.300 1
980 92 92 ASP CA C 50.863 0.300 1
981 92 92 ASP CB C 41.670 0.300 1
982 92 92 ASP N N 122.245 0.300 1
983 93 93 PRO HA H 4.231 0.030 1
984 93 93 PRO HB2 H 2.221 0.030 2
985 93 93 PRO HB3 H 1.490 0.030 2
986 93 93 PRO HG2 H 1.947 0.030 2
987 93 93 PRO HG3 H 1.699 0.030 2
988 93 93 PRO HD2 H 4.025 0.030 2
989 93 93 PRO HD3 H 3.928 0.030 2
990 93 93 PRO C C 177.767 0.300 1
991 93 93 PRO CA C 63.944 0.300 1
992 93 93 PRO CB C 32.064 0.300 1
993 93 93 PRO CG C 26.890 0.300 1
994 93 93 PRO CD C 51.104 0.300 1
995 94 94 HIS H H 8.405 0.030 1
996 94 94 HIS HA H 4.912 0.030 1
997 94 94 HIS HB2 H 2.944 0.030 2
998 94 94 HIS HB3 H 3.516 0.030 2
999 94 94 HIS HD2 H 7.200 0.030 1
1000 94 94 HIS HE1 H 8.231 0.030 1
1001 94 94 HIS C C 174.454 0.300 1
1002 94 94 HIS CA C 55.145 0.300 1
1003 94 94 HIS CB C 29.043 0.300 1
1004 94 94 HIS CD2 C 121.062 0.300 1
1005 94 94 HIS CE1 C 137.504 0.300 1
1006 94 94 HIS N N 117.010 0.300 1
1007 95 95 ASN H H 7.784 0.030 1
1008 95 95 ASN HA H 3.780 0.030 1
1009 95 95 ASN HB2 H 2.744 0.030 2
1010 95 95 ASN HB3 H 1.202 0.030 2
1011 95 95 ASN HD21 H 6.296 0.030 2
1012 95 95 ASN HD22 H 6.120 0.030 2
1013 95 95 ASN C C 177.917 0.300 1
1014 95 95 ASN CA C 56.733 0.300 1
1015 95 95 ASN CB C 34.174 0.300 1
1016 95 95 ASN N N 119.585 0.300 1
1017 95 95 ASN ND2 N 109.658 0.300 1
1018 96 96 VAL H H 8.584 0.030 1
1019 96 96 VAL HA H 3.598 0.030 1
1020 96 96 VAL HB H 2.037 0.030 1
1021 96 96 VAL HG1 H 0.872 0.030 1
1022 96 96 VAL HG2 H 0.824 0.030 1
1023 96 96 VAL C C 177.422 0.300 1
1024 96 96 VAL CA C 66.750 0.300 1
1025 96 96 VAL CB C 31.617 0.300 1
1026 96 96 VAL CG1 C 21.320 0.300 2
1027 96 96 VAL CG2 C 22.514 0.300 2
1028 96 96 VAL N N 123.740 0.300 1
1029 97 97 GLU H H 8.059 0.030 1
1030 97 97 GLU HA H 3.909 0.030 1
1031 97 97 GLU HB2 H 2.118 0.030 1
1032 97 97 GLU HB3 H 2.118 0.030 1
1033 97 97 GLU HG2 H 2.354 0.030 1
1034 97 97 GLU HG3 H 2.354 0.030 1
1035 97 97 GLU C C 178.957 0.300 1
1036 97 97 GLU CA C 59.657 0.300 1
1037 97 97 GLU CB C 29.575 0.300 1
1038 97 97 GLU CG C 36.409 0.300 1
1039 97 97 GLU N N 120.852 0.300 1
1040 98 98 LYS H H 8.139 0.030 1
1041 98 98 LYS HA H 4.131 0.030 1
1042 98 98 LYS HB2 H 1.923 0.030 2
1043 98 98 LYS HB3 H 1.857 0.030 2
1044 98 98 LYS HG2 H 1.504 0.030 2
1045 98 98 LYS HG3 H 1.702 0.030 2
1046 98 98 LYS HD2 H 1.718 0.030 2
1047 98 98 LYS HD3 H 1.664 0.030 2
1048 98 98 LYS HE2 H 2.963 0.030 1
1049 98 98 LYS HE3 H 2.963 0.030 1
1050 98 98 LYS C C 179.400 0.300 1
1051 98 98 LYS CA C 59.265 0.300 1
1052 98 98 LYS CB C 32.994 0.300 1
1053 98 98 LYS CG C 26.265 0.300 1
1054 98 98 LYS CD C 29.624 0.300 1
1055 98 98 LYS CE C 42.169 0.300 1
1056 98 98 LYS N N 116.325 0.300 1
1057 99 99 LEU H H 7.639 0.030 1
1058 99 99 LEU HA H 4.401 0.030 1
1059 99 99 LEU HB2 H 2.026 0.030 1
1060 99 99 LEU HB3 H 2.026 0.030 1
1061 99 99 LEU HG H 1.962 0.030 1
1062 99 99 LEU HD1 H 1.128 0.030 1
1063 99 99 LEU HD2 H 1.046 0.030 1
1064 99 99 LEU C C 178.570 0.300 1
1065 99 99 LEU CA C 57.262 0.300 1
1066 99 99 LEU CB C 42.199 0.300 1
1067 99 99 LEU CG C 27.288 0.300 1
1068 99 99 LEU CD1 C 25.561 0.300 2
1069 99 99 LEU CD2 C 26.374 0.300 2
1070 99 99 LEU N N 119.731 0.300 1
1071 100 100 ARG H H 8.482 0.030 1
1072 100 100 ARG HA H 3.954 0.030 1
1073 100 100 ARG HB2 H 1.962 0.030 1
1074 100 100 ARG HB3 H 1.962 0.030 1
1075 100 100 ARG HG2 H 1.680 0.030 2
1076 100 100 ARG HG3 H 1.871 0.030 2
1077 100 100 ARG HD2 H 3.234 0.030 1
1078 100 100 ARG HD3 H 3.234 0.030 1
1079 100 100 ARG C C 179.011 0.300 1
1080 100 100 ARG CA C 59.712 0.300 1
1081 100 100 ARG CB C 30.370 0.300 1
1082 100 100 ARG CG C 28.078 0.300 1
1083 100 100 ARG CD C 43.744 0.300 1
1084 100 100 ARG N N 119.296 0.300 1
1085 101 101 ASP H H 7.963 0.030 1
1086 101 101 ASP HA H 4.588 0.030 1
1087 101 101 ASP HB2 H 2.762 0.030 1
1088 101 101 ASP HB3 H 2.762 0.030 1
1089 101 101 ASP C C 177.713 0.300 1
1090 101 101 ASP CA C 56.138 0.300 1
1091 101 101 ASP CB C 40.649 0.300 1
1092 101 101 ASP N N 118.835 0.300 1
1093 102 102 MET H H 7.771 0.030 1
1094 102 102 MET HA H 4.310 0.030 1
1095 102 102 MET HB2 H 2.310 0.030 2
1096 102 102 MET HB3 H 2.181 0.030 2
1097 102 102 MET HG2 H 2.691 0.030 2
1098 102 102 MET HG3 H 2.829 0.030 2
1099 102 102 MET HE H 2.099 0.030 1
1100 102 102 MET C C 177.663 0.300 1
1101 102 102 MET CA C 57.388 0.300 1
1102 102 102 MET CB C 32.608 0.300 1
1103 102 102 MET CG C 32.469 0.300 1
1104 102 102 MET CE C 17.271 0.300 1
1105 102 102 MET N N 119.282 0.300 1
1106 103 103 LYS H H 8.046 0.030 1
1107 103 103 LYS HA H 4.161 0.030 1
1108 103 103 LYS HB2 H 1.987 0.030 2
1109 103 103 LYS HB3 H 1.872 0.030 2
1110 103 103 LYS HG2 H 1.463 0.030 2
1111 103 103 LYS HG3 H 1.562 0.030 2
1112 103 103 LYS HD2 H 1.776 0.030 1
1113 103 103 LYS HD3 H 1.776 0.030 1
1114 103 103 LYS HE2 H 3.052 0.030 1
1115 103 103 LYS HE3 H 3.052 0.030 1
1116 103 103 LYS C C 177.343 0.300 1
1117 103 103 LYS CA C 57.725 0.300 1
1118 103 103 LYS CB C 32.620 0.300 1
1119 103 103 LYS CG C 24.946 0.300 1
1120 103 103 LYS CD C 29.396 0.300 1
1121 103 103 LYS CE C 42.251 0.300 1
1122 103 103 LYS N N 120.954 0.300 1
1123 104 104 LYS H H 7.962 0.030 1
1124 104 104 LYS HA H 4.251 0.030 1
1125 104 104 LYS HB2 H 1.912 0.030 2
1126 104 104 LYS HB3 H 1.864 0.030 2
1127 104 104 LYS HG2 H 1.536 0.030 2
1128 104 104 LYS HG3 H 1.464 0.030 2
1129 104 104 LYS HD2 H 1.695 0.030 1
1130 104 104 LYS HD3 H 1.695 0.030 1
1131 104 104 LYS HE2 H 3.043 0.030 2
1132 104 104 LYS C C 177.167 0.300 1
1133 104 104 LYS CA C 57.276 0.300 1
1134 104 104 LYS CB C 32.802 0.300 1
1135 104 104 LYS CG C 24.864 0.300 1
1136 104 104 LYS CD C 29.280 0.300 1
1137 104 104 LYS CE C 42.169 0.300 1
1138 104 104 LYS N N 120.374 0.300 1
1139 105 105 LEU H H 8.013 0.030 1
1140 105 105 LEU HA H 4.370 0.030 1
1141 105 105 LEU HB2 H 1.640 0.030 2
1142 105 105 LEU HB3 H 1.744 0.030 2
1143 105 105 LEU HG H 1.713 0.030 1
1144 105 105 LEU HD1 H 0.946 0.030 1
1145 105 105 LEU HD2 H 0.878 0.030 1
1146 105 105 LEU C C 177.610 0.300 1
1147 105 105 LEU CA C 55.497 0.300 1
1148 105 105 LEU CB C 42.321 0.300 1
1149 105 105 LEU CG C 27.006 0.300 1
1150 105 105 LEU CD1 C 25.125 0.300 2
1151 105 105 LEU CD2 C 23.216 0.300 2
1152 105 105 LEU N N 121.326 0.300 1
1153 106 106 SER H H 8.077 0.030 1
1154 106 106 SER HA H 4.498 0.030 1
1155 106 106 SER HB2 H 3.911 0.030 1
1156 106 106 SER HB3 H 3.911 0.030 1
1157 106 106 SER C C 174.576 0.300 1
1158 106 106 SER CA C 58.584 0.300 1
1159 106 106 SER CB C 64.126 0.300 1
1160 106 106 SER N N 115.508 0.300 1
1161 107 107 GLY H H 8.140 0.030 1
1162 107 107 GLY HA2 H 4.172 0.030 2
1163 107 107 GLY HA3 H 4.124 0.030 2
1164 107 107 GLY C C 174.576 0.300 1
1165 107 107 GLY CA C 44.794 0.300 1
1166 107 107 GLY N N 110.419 0.300 1
1167 108 108 PRO HA H 4.491 0.030 1
1168 108 108 PRO HB2 H 2.304 0.030 2
1169 108 108 PRO HB3 H 1.989 0.030 2
1170 108 108 PRO HG2 H 2.025 0.030 1
1171 108 108 PRO HG3 H 2.025 0.030 1
1172 108 108 PRO HD2 H 3.657 0.030 1
1173 108 108 PRO HD3 H 3.657 0.030 1
1174 108 108 PRO C C 177.499 0.300 1
1175 108 108 PRO CA C 63.380 0.300 1
1176 108 108 PRO CB C 32.265 0.300 1
1177 108 108 PRO CG C 27.146 0.300 1
1178 108 108 PRO CD C 49.836 0.300 1
1179 109 109 SER H H 8.536 0.030 1
1180 109 109 SER C C 177.499 0.300 1
1181 109 109 SER CA C 58.463 0.300 1
1182 109 109 SER CB C 63.858 0.300 1
1183 109 109 SER N N 116.284 0.300 1
1184 110 110 SER C C 177.499 0.300 1
1185 111 111 GLY C C 177.499 0.300 1
stop_
save_