data_10008
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of C-terminal fibronectin type III domain of mouse
1700129L13Rik protein
;
_BMRB_accession_number 10008
_BMRB_flat_file_name bmr10008.str
_Entry_type original
_Submission_date 2005-10-25
_Accession_date 2005-10-25
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Tochio N. . .
2 Koshiba S. . .
3 Inoue M. . .
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" 617
"13C chemical shifts" 459
"15N chemical shifts" 106
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2006-11-06 original author .
stop_
_Original_release_date 2006-11-06
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution structure of C-terminal fibronectin type III domain of mouse
1700129L13Rik protein
;
_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 Tochio N. . .
2 Koshiba S. . .
3 Inoue M. . .
4 Kigawa T. . .
5 Yokoyama S. . .
stop_
_Journal_abbreviation 'not known'
_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 .
loop_
_Keyword
'FN3 domain'
'similar to host cell factor 2'
'structural genomics'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'C-terminal FN3 domain of 1700129L13Rik protein'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'FN3 domain' $FN3_domain
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_FN3_domain
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'FN3 domain'
_Molecular_mass 13038.744
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 123
_Mol_residue_sequence
;
GSSGSSGPGAPSTVRISKNV
DGIHLSWEPPTSPSGNILEY
SAYLAIRTAQMQDNPSQLVF
MRIYCGLKTSCTVTAGQLAN
AHIDYTSRPAIVFRISAKNE
KGYGPATQIRWLQGNSKSGP
SSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 PRO 9 GLY 10 ALA
11 PRO 12 SER 13 THR 14 VAL 15 ARG
16 ILE 17 SER 18 LYS 19 ASN 20 VAL
21 ASP 22 GLY 23 ILE 24 HIS 25 LEU
26 SER 27 TRP 28 GLU 29 PRO 30 PRO
31 THR 32 SER 33 PRO 34 SER 35 GLY
36 ASN 37 ILE 38 LEU 39 GLU 40 TYR
41 SER 42 ALA 43 TYR 44 LEU 45 ALA
46 ILE 47 ARG 48 THR 49 ALA 50 GLN
51 MET 52 GLN 53 ASP 54 ASN 55 PRO
56 SER 57 GLN 58 LEU 59 VAL 60 PHE
61 MET 62 ARG 63 ILE 64 TYR 65 CYS
66 GLY 67 LEU 68 LYS 69 THR 70 SER
71 CYS 72 THR 73 VAL 74 THR 75 ALA
76 GLY 77 GLN 78 LEU 79 ALA 80 ASN
81 ALA 82 HIS 83 ILE 84 ASP 85 TYR
86 THR 87 SER 88 ARG 89 PRO 90 ALA
91 ILE 92 VAL 93 PHE 94 ARG 95 ILE
96 SER 97 ALA 98 LYS 99 ASN 100 GLU
101 LYS 102 GLY 103 TYR 104 GLY 105 PRO
106 ALA 107 THR 108 GLN 109 ILE 110 ARG
111 TRP 112 LEU 113 GLN 114 GLY 115 ASN
116 SER 117 LYS 118 SER 119 GLY 120 PRO
121 SER 122 SER 123 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 1WFT "Solution Structure Of C-Terminal Fibronectin Type Iii Domain Of Mouse 1700129l13rik Protein" 100.00 123 100.00 100.00 1.24e-83
DBJ BAB24953 "unnamed protein product [Mus musculus]" 93.50 241 97.39 97.39 2.43e-75
REF XP_006514073 "PREDICTED: host cell factor 2 isoform X1 [Mus musculus]" 86.99 878 99.07 100.00 1.24e-65
REF XP_011241845 "PREDICTED: host cell factor 2 isoform X1 [Mus musculus]" 86.99 878 99.07 100.00 1.24e-65
REF XP_011241846 "PREDICTED: host cell factor 2 isoform X3 [Mus musculus]" 86.18 727 99.06 100.00 1.42e-65
REF XP_011241847 "PREDICTED: host cell factor 2 isoform X5 [Mus musculus]" 86.99 715 99.07 100.00 2.35e-66
REF XP_011241848 "PREDICTED: host cell factor 2 isoform X6 [Mus musculus]" 86.99 699 99.07 100.00 1.38e-66
SP Q9D968 "RecName: Full=Host cell factor 2; Short=HCF-2; AltName: Full=C2 factor" 93.50 241 97.39 97.39 2.43e-75
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Fraction
$FN3_domain mouse 10090 Eukaryota Metazoa Mus musculus no
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
$FN3_domain 'cell free synthesis' . . . . plasmid P031015-19
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
$FN3_domain 1 mM '[U-13C; U-15N]'
'd-Tris HCl' 20 mM .
NaCl 200 mM .
d-DTT 2 mM .
NaN3 0.02 % .
D2O 10 % .
H2O 90 % .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name xwinnmr
_Version 2.6
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name NMRPipe
_Version 20031121
loop_
_Task
processing
stop_
_Details 'Delaglio, F.'
save_
save_software_3
_Saveframe_category software
_Name NMRView
_Version 5.0.4
loop_
_Task
'data analysis'
stop_
_Details 'Johnson, B.A.'
save_
save_software_4
_Saveframe_category software
_Name Kujira
_Version 0.8994
loop_
_Task
'data analysis'
stop_
_Details 'Kobayashi, N.'
save_
save_software_5
_Saveframe_category software
_Name CYANA
_Version 2.0.17
loop_
_Task
refinement
'structure solution'
stop_
_Details 'Guntert, P.'
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_13C-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
save_3D_15N-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_3D_15N-separated_NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-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' 0.22 0.001 M
pH 7.0 0.05 pH
pressure 1 0.03 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 (4.784 ppm at
296 K) and then those of 15N and 13C were alculated 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 internal direct . . . 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_assigned_chemical_shift_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D 13C-separated NOESY'
'3D 15N-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 'FN3 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 6 6 SER HA H 4.605 0.030 1
2 6 6 SER HB2 H 3.897 0.030 1
3 6 6 SER HB3 H 3.897 0.030 1
4 6 6 SER C C 174.460 0.300 1
5 6 6 SER CA C 58.154 0.300 1
6 6 6 SER CB C 64.320 0.300 1
7 7 7 GLY H H 8.132 0.030 1
8 7 7 GLY HA2 H 4.211 0.030 2
9 7 7 GLY HA3 H 3.744 0.030 2
10 7 7 GLY C C 170.915 0.300 1
11 7 7 GLY CA C 44.423 0.300 1
12 7 7 GLY N N 109.081 0.300 1
13 8 8 PRO HA H 4.609 0.030 1
14 8 8 PRO HB2 H 2.078 0.030 1
15 8 8 PRO HB3 H 2.078 0.030 1
16 8 8 PRO HG2 H 1.904 0.030 2
17 8 8 PRO HG3 H 1.663 0.030 2
18 8 8 PRO HD2 H 3.542 0.030 2
19 8 8 PRO HD3 H 3.380 0.030 2
20 8 8 PRO C C 176.331 0.300 1
21 8 8 PRO CA C 62.732 0.300 1
22 8 8 PRO CB C 33.002 0.300 1
23 8 8 PRO CG C 26.946 0.300 1
24 8 8 PRO CD C 49.086 0.300 1
25 9 9 GLY H H 7.901 0.030 1
26 9 9 GLY HA2 H 4.198 0.030 2
27 9 9 GLY HA3 H 3.839 0.030 2
28 9 9 GLY C C 172.412 0.300 1
29 9 9 GLY CA C 44.113 0.300 1
30 9 9 GLY N N 103.088 0.300 1
31 10 10 ALA H H 8.314 0.030 1
32 10 10 ALA HA H 4.833 0.030 1
33 10 10 ALA HB H 1.305 0.030 1
34 10 10 ALA C C 176.553 0.300 1
35 10 10 ALA CA C 50.280 0.300 1
36 10 10 ALA CB C 18.481 0.300 1
37 10 10 ALA N N 121.623 0.300 1
38 11 11 PRO HA H 4.266 0.030 1
39 11 11 PRO HB2 H 2.413 0.030 2
40 11 11 PRO HB3 H 1.468 0.030 2
41 11 11 PRO HG2 H 1.674 0.030 1
42 11 11 PRO HG3 H 1.674 0.030 1
43 11 11 PRO HD2 H 4.257 0.030 2
44 11 11 PRO HD3 H 3.709 0.030 2
45 11 11 PRO C C 174.848 0.300 1
46 11 11 PRO CA C 63.824 0.300 1
47 11 11 PRO CB C 32.318 0.300 1
48 11 11 PRO CG C 28.497 0.300 1
49 11 11 PRO CD C 50.243 0.300 1
50 12 12 SER H H 8.252 0.030 1
51 12 12 SER HA H 4.810 0.030 1
52 12 12 SER HB2 H 3.997 0.030 2
53 12 12 SER HB3 H 3.879 0.030 2
54 12 12 SER C C 173.033 0.300 1
55 12 12 SER CA C 57.254 0.300 1
56 12 12 SER CB C 66.421 0.300 1
57 12 12 SER N N 116.697 0.300 1
58 13 13 THR H H 8.463 0.030 1
59 13 13 THR HA H 3.744 0.030 1
60 13 13 THR HB H 4.094 0.030 1
61 13 13 THR HG2 H 1.210 0.030 1
62 13 13 THR C C 172.571 0.300 1
63 13 13 THR CA C 62.146 0.300 1
64 13 13 THR CB C 67.782 0.300 1
65 13 13 THR CG2 C 22.826 0.300 1
66 13 13 THR N N 115.341 0.300 1
67 14 14 VAL H H 8.280 0.030 1
68 14 14 VAL HA H 4.799 0.030 1
69 14 14 VAL HB H 1.961 0.030 1
70 14 14 VAL HG1 H 0.902 0.030 1
71 14 14 VAL HG2 H 0.845 0.030 1
72 14 14 VAL C C 176.594 0.300 1
73 14 14 VAL CA C 62.229 0.300 1
74 14 14 VAL CB C 31.966 0.300 1
75 14 14 VAL CG1 C 22.327 0.300 1
76 14 14 VAL CG2 C 21.817 0.300 1
77 14 14 VAL N N 122.059 0.300 1
78 15 15 ARG H H 9.406 0.030 1
79 15 15 ARG HA H 4.727 0.030 1
80 15 15 ARG HB2 H 1.724 0.030 2
81 15 15 ARG HB3 H 1.640 0.030 2
82 15 15 ARG HG2 H 1.532 0.030 1
83 15 15 ARG HG3 H 1.532 0.030 1
84 15 15 ARG HD2 H 3.197 0.030 2
85 15 15 ARG HD3 H 3.074 0.030 2
86 15 15 ARG C C 174.330 0.300 1
87 15 15 ARG CA C 54.922 0.300 1
88 15 15 ARG CB C 33.638 0.300 1
89 15 15 ARG CG C 27.425 0.300 1
90 15 15 ARG CD C 43.536 0.300 1
91 15 15 ARG N N 128.195 0.300 1
92 16 16 ILE H H 8.368 0.030 1
93 16 16 ILE HA H 4.809 0.030 1
94 16 16 ILE HB H 1.281 0.030 1
95 16 16 ILE HG12 H 1.213 0.030 2
96 16 16 ILE HG13 H 0.503 0.030 2
97 16 16 ILE HG2 H -0.022 0.030 1
98 16 16 ILE HD1 H 0.498 0.030 1
99 16 16 ILE C C 175.209 0.300 1
100 16 16 ILE CA C 60.154 0.300 1
101 16 16 ILE CB C 40.818 0.300 1
102 16 16 ILE CG1 C 28.497 0.300 1
103 16 16 ILE CG2 C 17.047 0.300 1
104 16 16 ILE CD1 C 14.621 0.300 1
105 16 16 ILE N N 121.893 0.300 1
106 17 17 SER H H 8.710 0.030 1
107 17 17 SER HA H 4.804 0.030 1
108 17 17 SER HB2 H 3.811 0.030 1
109 17 17 SER HB3 H 3.811 0.030 1
110 17 17 SER C C 172.318 0.300 1
111 17 17 SER CA C 56.705 0.300 1
112 17 17 SER CB C 65.591 0.300 1
113 17 17 SER N N 121.100 0.300 1
114 18 18 LYS H H 8.833 0.030 1
115 18 18 LYS HA H 4.697 0.030 1
116 18 18 LYS HB2 H 1.981 0.030 2
117 18 18 LYS HB3 H 1.724 0.030 2
118 18 18 LYS HG2 H 1.516 0.030 1
119 18 18 LYS HG3 H 1.516 0.030 1
120 18 18 LYS HD2 H 1.823 0.030 1
121 18 18 LYS HD3 H 1.823 0.030 1
122 18 18 LYS HE2 H 3.107 0.030 1
123 18 18 LYS HE3 H 3.107 0.030 1
124 18 18 LYS C C 175.400 0.300 1
125 18 18 LYS CA C 56.457 0.300 1
126 18 18 LYS CB C 34.365 0.300 1
127 18 18 LYS CG C 25.177 0.300 1
128 18 18 LYS CD C 29.586 0.300 1
129 18 18 LYS CE C 42.260 0.300 1
130 18 18 LYS N N 123.904 0.300 1
131 19 19 ASN H H 8.637 0.030 1
132 19 19 ASN HA H 4.966 0.030 1
133 19 19 ASN HB2 H 2.925 0.030 2
134 19 19 ASN HB3 H 2.849 0.030 2
135 19 19 ASN HD21 H 7.408 0.030 2
136 19 19 ASN HD22 H 6.771 0.030 2
137 19 19 ASN C C 175.684 0.300 1
138 19 19 ASN CA C 51.726 0.300 1
139 19 19 ASN CB C 40.653 0.300 1
140 19 19 ASN N N 124.592 0.300 1
141 19 19 ASN ND2 N 112.091 0.300 1
142 20 20 VAL H H 8.269 0.030 1
143 20 20 VAL HA H 3.893 0.030 1
144 20 20 VAL HB H 2.187 0.030 1
145 20 20 VAL HG1 H 1.003 0.030 1
146 20 20 VAL C C 176.170 0.300 1
147 20 20 VAL CA C 65.134 0.300 1
148 20 20 VAL CB C 31.506 0.300 1
149 20 20 VAL CG1 C 20.728 0.300 2
150 21 21 ASP H H 8.061 0.030 1
151 21 21 ASP HA H 4.770 0.030 1
152 21 21 ASP HB2 H 2.738 0.030 1
153 21 21 ASP HB3 H 2.738 0.030 1
154 21 21 ASP C C 175.821 0.300 1
155 21 21 ASP CA C 54.152 0.300 1
156 21 21 ASP CB C 41.509 0.300 1
157 21 21 ASP N N 118.026 0.300 1
158 22 22 GLY H H 7.719 0.030 1
159 22 22 GLY HA2 H 4.608 0.030 2
160 22 22 GLY HA3 H 3.776 0.030 2
161 22 22 GLY C C 172.210 0.300 1
162 22 22 GLY CA C 45.035 0.300 1
163 22 22 GLY N N 108.828 0.300 1
164 23 23 ILE H H 8.601 0.030 1
165 23 23 ILE HA H 4.625 0.030 1
166 23 23 ILE HB H 1.581 0.030 1
167 23 23 ILE HG12 H 1.293 0.030 2
168 23 23 ILE HG13 H 0.944 0.030 2
169 23 23 ILE HG2 H 0.371 0.030 1
170 23 23 ILE HD1 H 0.502 0.030 1
171 23 23 ILE C C 173.935 0.300 1
172 23 23 ILE CA C 59.481 0.300 1
173 23 23 ILE CB C 40.604 0.300 1
174 23 23 ILE CG1 C 27.630 0.300 1
175 23 23 ILE CG2 C 18.259 0.300 1
176 23 23 ILE CD1 C 13.567 0.300 1
177 23 23 ILE N N 119.546 0.300 1
178 24 24 HIS H H 9.071 0.030 1
179 24 24 HIS HA H 4.976 0.030 1
180 24 24 HIS HB2 H 2.945 0.030 2
181 24 24 HIS HB3 H 2.727 0.030 2
182 24 24 HIS HD2 H 6.737 0.030 1
183 24 24 HIS HE1 H 7.567 0.030 1
184 24 24 HIS C C 173.763 0.300 1
185 24 24 HIS CA C 55.214 0.300 1
186 24 24 HIS CB C 32.103 0.300 1
187 24 24 HIS CD2 C 119.372 0.300 1
188 24 24 HIS CE1 C 137.630 0.300 1
189 24 24 HIS N N 125.438 0.300 1
190 25 25 LEU H H 8.607 0.030 1
191 25 25 LEU HA H 4.931 0.030 1
192 25 25 LEU HB2 H 1.500 0.030 2
193 25 25 LEU HB3 H 1.329 0.030 2
194 25 25 LEU HG H 1.170 0.030 1
195 25 25 LEU HD1 H 0.164 0.030 1
196 25 25 LEU HD2 H 0.099 0.030 1
197 25 25 LEU C C 174.612 0.300 1
198 25 25 LEU CA C 53.549 0.300 1
199 25 25 LEU CB C 45.046 0.300 1
200 25 25 LEU CG C 27.447 0.300 1
201 25 25 LEU CD1 C 24.167 0.300 1
202 25 25 LEU CD2 C 24.960 0.300 1
203 25 25 LEU N N 128.652 0.300 1
204 26 26 SER H H 8.783 0.030 1
205 26 26 SER HA H 4.607 0.030 1
206 26 26 SER HB2 H 3.704 0.030 2
207 26 26 SER HB3 H 3.486 0.030 2
208 26 26 SER C C 172.439 0.300 1
209 26 26 SER CA C 57.100 0.300 1
210 26 26 SER CB C 66.341 0.300 1
211 26 26 SER N N 115.360 0.300 1
212 27 27 TRP H H 7.817 0.030 1
213 27 27 TRP HA H 5.232 0.030 1
214 27 27 TRP HB2 H 3.340 0.030 2
215 27 27 TRP HB3 H 3.135 0.030 2
216 27 27 TRP HD1 H 6.404 0.030 1
217 27 27 TRP HE1 H 6.046 0.030 1
218 27 27 TRP HE3 H 6.726 0.030 1
219 27 27 TRP HZ2 H 7.127 0.030 1
220 27 27 TRP HZ3 H 6.532 0.030 1
221 27 27 TRP HH2 H 6.395 0.030 1
222 27 27 TRP C C 173.227 0.300 1
223 27 27 TRP CA C 56.394 0.300 1
224 27 27 TRP CB C 30.651 0.300 1
225 27 27 TRP CD1 C 124.539 0.300 1
226 27 27 TRP CE3 C 119.732 0.300 1
227 27 27 TRP CZ2 C 114.158 0.300 1
228 27 27 TRP CZ3 C 121.846 0.300 1
229 27 27 TRP CH2 C 123.447 0.300 1
230 27 27 TRP N N 118.528 0.300 1
231 27 27 TRP NE1 N 124.792 0.300 1
232 28 28 GLU H H 8.690 0.030 1
233 28 28 GLU HA H 4.931 0.030 1
234 28 28 GLU HB2 H 2.146 0.030 2
235 28 28 GLU HB3 H 1.701 0.030 2
236 28 28 GLU HG2 H 2.323 0.030 2
237 28 28 GLU HG3 H 2.222 0.030 2
238 28 28 GLU C C 174.168 0.300 1
239 28 28 GLU CA C 52.762 0.300 1
240 28 28 GLU CB C 30.466 0.300 1
241 28 28 GLU CG C 36.179 0.300 1
242 28 28 GLU N N 117.230 0.300 1
243 29 29 PRO HA H 5.058 0.030 1
244 29 29 PRO HB2 H 2.574 0.030 2
245 29 29 PRO HB3 H 1.925 0.030 2
246 29 29 PRO HG2 H 2.202 0.030 2
247 29 29 PRO HG3 H 2.113 0.030 2
248 29 29 PRO HD2 H 3.885 0.030 2
249 29 29 PRO HD3 H 3.800 0.030 2
250 29 29 PRO CA C 61.542 0.300 1
251 29 29 PRO CB C 30.761 0.300 1
252 29 29 PRO CG C 27.895 0.300 1
253 29 29 PRO CD C 50.913 0.300 1
254 30 30 PRO HA H 4.662 0.030 1
255 30 30 PRO HB2 H 2.035 0.030 2
256 30 30 PRO HB3 H 1.798 0.030 2
257 30 30 PRO HG2 H 1.888 0.030 2
258 30 30 PRO HG3 H 1.708 0.030 2
259 30 30 PRO HD2 H 3.809 0.030 1
260 30 30 PRO HD3 H 3.809 0.030 1
261 30 30 PRO CA C 62.242 0.300 1
262 30 30 PRO CB C 32.706 0.300 1
263 30 30 PRO CG C 28.106 0.300 1
264 30 30 PRO CD C 50.669 0.300 1
265 31 31 THR H H 8.605 0.030 1
266 31 31 THR HA H 4.181 0.030 1
267 31 31 THR HB H 4.310 0.030 1
268 31 31 THR HG2 H 1.316 0.030 1
269 31 31 THR C C 175.285 0.300 1
270 31 31 THR CA C 63.264 0.300 1
271 31 31 THR CB C 69.056 0.300 1
272 31 31 THR CG2 C 22.117 0.300 1
273 31 31 THR N N 113.697 0.300 1
274 32 32 SER H H 8.067 0.030 1
275 32 32 SER HA H 4.879 0.030 1
276 32 32 SER HB2 H 3.871 0.030 2
277 32 32 SER HB3 H 3.796 0.030 2
278 32 32 SER CA C 55.405 0.300 1
279 32 32 SER CB C 63.324 0.300 1
280 32 32 SER N N 116.523 0.300 1
281 33 33 PRO HA H 4.387 0.030 1
282 33 33 PRO HB2 H 2.259 0.030 2
283 33 33 PRO HB3 H 2.081 0.030 2
284 33 33 PRO HG2 H 2.162 0.030 1
285 33 33 PRO HG3 H 2.162 0.030 1
286 33 33 PRO HD2 H 3.800 0.030 2
287 33 33 PRO HD3 H 3.702 0.030 2
288 33 33 PRO C C 177.179 0.300 1
289 33 33 PRO CA C 64.354 0.300 1
290 33 33 PRO CB C 31.849 0.300 1
291 33 33 PRO CG C 27.519 0.300 1
292 33 33 PRO CD C 50.876 0.300 1
293 34 34 SER H H 8.381 0.030 1
294 34 34 SER HA H 4.490 0.030 1
295 34 34 SER HB2 H 3.903 0.030 2
296 34 34 SER HB3 H 3.789 0.030 2
297 34 34 SER CB C 64.502 0.300 1
298 34 34 SER N N 116.514 0.300 1
299 36 36 ASN HA H 4.785 0.030 1
300 36 36 ASN HB2 H 2.664 0.030 2
301 36 36 ASN HB3 H 2.621 0.030 2
302 36 36 ASN HD21 H 7.758 0.030 2
303 36 36 ASN HD22 H 6.942 0.030 2
304 36 36 ASN C C 174.265 0.300 1
305 36 36 ASN CA C 52.699 0.300 1
306 36 36 ASN CB C 39.517 0.300 1
307 36 36 ASN ND2 N 114.106 0.300 1
308 37 37 ILE H H 8.348 0.030 1
309 37 37 ILE HA H 4.055 0.030 1
310 37 37 ILE HB H 1.929 0.030 1
311 37 37 ILE HG12 H 1.488 0.030 2
312 37 37 ILE HG13 H 1.417 0.030 2
313 37 37 ILE HG2 H 0.489 0.030 1
314 37 37 ILE HD1 H 0.715 0.030 1
315 37 37 ILE CA C 59.971 0.300 1
316 37 37 ILE CB C 36.027 0.300 1
317 37 37 ILE CG1 C 27.486 0.300 1
318 37 37 ILE CG2 C 17.652 0.300 1
319 37 37 ILE CD1 C 10.984 0.300 1
320 37 37 ILE N N 121.583 0.300 1
321 38 38 LEU H H 8.833 0.030 1
322 38 38 LEU HA H 4.292 0.030 1
323 38 38 LEU HB2 H 1.486 0.030 2
324 38 38 LEU HB3 H 1.077 0.030 2
325 38 38 LEU HG H 1.582 0.030 1
326 38 38 LEU HD1 H 0.698 0.030 1
327 38 38 LEU HD2 H 0.736 0.030 1
328 38 38 LEU CA C 55.075 0.300 1
329 38 38 LEU CB C 44.009 0.300 1
330 38 38 LEU CG C 27.343 0.300 1
331 38 38 LEU CD1 C 25.419 0.300 1
332 38 38 LEU CD2 C 22.562 0.300 1
333 39 39 GLU HA H 4.073 0.030 1
334 39 39 GLU HB2 H 1.880 0.030 2
335 39 39 GLU HB3 H 1.773 0.030 2
336 39 39 GLU HG2 H 2.142 0.030 2
337 39 39 GLU HG3 H 1.945 0.030 2
338 39 39 GLU CA C 56.155 0.300 1
339 39 39 GLU CB C 33.716 0.300 1
340 39 39 GLU CG C 37.037 0.300 1
341 40 40 TYR H H 9.132 0.030 1
342 40 40 TYR HA H 5.626 0.030 1
343 40 40 TYR HB2 H 3.306 0.030 2
344 40 40 TYR HB3 H 3.162 0.030 2
345 40 40 TYR C C 175.724 0.300 1
346 40 40 TYR CA C 57.459 0.300 1
347 40 40 TYR CB C 42.924 0.300 1
348 40 40 TYR N N 119.414 0.300 1
349 41 41 SER H H 8.836 0.030 1
350 41 41 SER HA H 5.460 0.030 1
351 41 41 SER HB2 H 3.657 0.030 2
352 41 41 SER HB3 H 3.206 0.030 2
353 41 41 SER C C 171.428 0.300 1
354 41 41 SER CA C 58.678 0.300 1
355 41 41 SER CB C 69.300 0.300 1
356 41 41 SER N N 113.423 0.300 1
357 42 42 ALA H H 8.622 0.030 1
358 42 42 ALA HA H 5.517 0.030 1
359 42 42 ALA HB H 1.219 0.030 1
360 42 42 ALA C C 175.936 0.300 1
361 42 42 ALA CA C 49.705 0.300 1
362 42 42 ALA CB C 22.932 0.300 1
363 42 42 ALA N N 122.198 0.300 1
364 43 43 TYR H H 9.735 0.030 1
365 43 43 TYR HA H 5.577 0.030 1
366 43 43 TYR HB2 H 3.025 0.030 2
367 43 43 TYR HB3 H 2.683 0.030 2
368 43 43 TYR HD1 H 6.703 0.030 1
369 43 43 TYR HD2 H 6.703 0.030 1
370 43 43 TYR HE1 H 6.604 0.030 1
371 43 43 TYR HE2 H 6.604 0.030 1
372 43 43 TYR C C 173.804 0.300 1
373 43 43 TYR CA C 56.559 0.300 1
374 43 43 TYR CB C 43.608 0.300 1
375 43 43 TYR CD1 C 132.882 0.300 1
376 43 43 TYR CD2 C 132.882 0.300 1
377 43 43 TYR CE1 C 118.514 0.300 1
378 43 43 TYR CE2 C 118.514 0.300 1
379 43 43 TYR N N 119.546 0.300 1
380 44 44 LEU H H 9.140 0.030 1
381 44 44 LEU HA H 5.276 0.030 1
382 44 44 LEU HB2 H 1.766 0.030 2
383 44 44 LEU HB3 H 1.457 0.030 2
384 44 44 LEU HG H 1.472 0.030 1
385 44 44 LEU HD1 H 0.627 0.030 1
386 44 44 LEU HD2 H 0.757 0.030 1
387 44 44 LEU C C 175.704 0.300 1
388 44 44 LEU CA C 53.052 0.300 1
389 44 44 LEU CB C 48.836 0.300 1
390 44 44 LEU CG C 26.952 0.300 1
391 44 44 LEU CD1 C 23.551 0.300 1
392 44 44 LEU CD2 C 27.271 0.300 1
393 44 44 LEU N N 123.137 0.300 1
394 45 45 ALA H H 8.454 0.030 1
395 45 45 ALA HA H 4.373 0.030 1
396 45 45 ALA HB H 0.945 0.030 1
397 45 45 ALA C C 178.292 0.300 1
398 45 45 ALA CA C 52.087 0.300 1
399 45 45 ALA CB C 17.407 0.300 1
400 45 45 ALA N N 129.480 0.300 1
401 46 46 ILE H H 8.822 0.030 1
402 46 46 ILE HA H 4.898 0.030 1
403 46 46 ILE HB H 1.983 0.030 1
404 46 46 ILE HG12 H 1.303 0.030 2
405 46 46 ILE HG13 H 1.006 0.030 2
406 46 46 ILE HG2 H 0.912 0.030 1
407 46 46 ILE HD1 H 0.832 0.030 1
408 46 46 ILE C C 175.382 0.300 1
409 46 46 ILE CA C 60.241 0.300 1
410 46 46 ILE CB C 42.276 0.300 1
411 46 46 ILE CG1 C 26.037 0.300 1
412 46 46 ILE CG2 C 19.448 0.300 1
413 46 46 ILE CD1 C 14.494 0.300 1
414 46 46 ILE N N 119.705 0.300 1
415 47 47 ARG H H 8.153 0.030 1
416 47 47 ARG HA H 4.543 0.030 1
417 47 47 ARG HB2 H 1.847 0.030 2
418 47 47 ARG HB3 H 1.748 0.030 2
419 47 47 ARG HG2 H 1.584 0.030 1
420 47 47 ARG HG3 H 1.584 0.030 1
421 47 47 ARG HD2 H 3.263 0.030 1
422 47 47 ARG HD3 H 3.263 0.030 1
423 47 47 ARG CA C 56.137 0.300 1
424 47 47 ARG CB C 31.131 0.300 1
425 47 47 ARG CG C 27.354 0.300 1
426 47 47 ARG CD C 43.541 0.300 1
427 47 47 ARG N N 120.604 0.300 1
428 48 48 THR H H 8.118 0.030 1
429 48 48 THR HA H 4.637 0.030 1
430 48 48 THR HB H 4.354 0.030 1
431 48 48 THR HG2 H 1.133 0.030 1
432 48 48 THR CB C 70.946 0.300 1
433 48 48 THR CG2 C 21.500 0.300 1
434 48 48 THR N N 114.944 0.300 1
435 49 49 ALA HA H 4.301 0.030 1
436 49 49 ALA HB H 1.398 0.030 1
437 49 49 ALA C C 178.053 0.300 1
438 49 49 ALA CA C 53.272 0.300 1
439 49 49 ALA CB C 19.047 0.300 1
440 50 50 GLN H H 8.235 0.030 1
441 50 50 GLN HA H 4.328 0.030 1
442 50 50 GLN HB2 H 2.128 0.030 2
443 50 50 GLN HB3 H 2.005 0.030 2
444 50 50 GLN HG2 H 2.381 0.030 1
445 50 50 GLN HG3 H 2.381 0.030 1
446 50 50 GLN HE21 H 7.570 0.030 2
447 50 50 GLN HE22 H 6.868 0.030 2
448 50 50 GLN C C 176.135 0.300 1
449 50 50 GLN CA C 56.199 0.300 1
450 50 50 GLN CB C 29.111 0.300 1
451 50 50 GLN CG C 34.038 0.300 1
452 50 50 GLN N N 117.831 0.300 1
453 50 50 GLN NE2 N 112.537 0.300 1
454 51 51 MET H H 8.139 0.030 1
455 51 51 MET HA H 4.397 0.030 1
456 51 51 MET HB2 H 2.125 0.030 2
457 51 51 MET HB3 H 2.073 0.030 2
458 51 51 MET HG2 H 2.589 0.030 2
459 51 51 MET HG3 H 2.543 0.030 2
460 51 51 MET HE H 2.016 0.030 1
461 51 51 MET C C 176.451 0.300 1
462 51 51 MET CA C 55.939 0.300 1
463 51 51 MET CB C 32.889 0.300 1
464 51 51 MET CG C 32.050 0.300 1
465 51 51 MET CE C 17.124 0.300 1
466 51 51 MET N N 121.028 0.300 1
467 52 52 GLN HA H 4.208 0.030 1
468 52 52 GLN HB2 H 2.116 0.030 2
469 52 52 GLN HB3 H 2.027 0.030 2
470 52 52 GLN HG2 H 2.367 0.030 1
471 52 52 GLN HG3 H 2.367 0.030 1
472 52 52 GLN HE21 H 7.517 0.030 2
473 52 52 GLN HE22 H 6.860 0.030 2
474 52 52 GLN C C 175.987 0.300 1
475 52 52 GLN CA C 56.844 0.300 1
476 52 52 GLN CB C 29.099 0.300 1
477 52 52 GLN CG C 33.862 0.300 1
478 52 52 GLN NE2 N 112.485 0.300 1
479 53 53 ASP H H 8.288 0.030 1
480 53 53 ASP HA H 4.553 0.030 1
481 53 53 ASP HB2 H 2.716 0.030 2
482 53 53 ASP HB3 H 2.654 0.030 2
483 53 53 ASP C C 175.805 0.300 1
484 53 53 ASP CA C 55.043 0.300 1
485 53 53 ASP CB C 41.040 0.300 1
486 53 53 ASP N N 118.798 0.300 1
487 54 54 ASN H H 7.940 0.030 1
488 54 54 ASN HA H 5.038 0.030 1
489 54 54 ASN HB2 H 2.866 0.030 2
490 54 54 ASN HB3 H 2.700 0.030 2
491 54 54 ASN HD21 H 7.605 0.030 2
492 54 54 ASN HD22 H 6.939 0.030 2
493 54 54 ASN C C 173.207 0.300 1
494 54 54 ASN CA C 51.190 0.300 1
495 54 54 ASN CB C 39.200 0.300 1
496 54 54 ASN N N 116.650 0.300 1
497 54 54 ASN ND2 N 112.828 0.300 1
498 55 55 PRO HA H 4.454 0.030 1
499 55 55 PRO HB2 H 2.352 0.030 2
500 55 55 PRO HB3 H 2.032 0.030 2
501 55 55 PRO HG2 H 2.036 0.030 1
502 55 55 PRO HG3 H 2.036 0.030 1
503 55 55 PRO HD2 H 3.790 0.030 2
504 55 55 PRO HD3 H 3.709 0.030 2
505 55 55 PRO C C 177.100 0.300 1
506 55 55 PRO CA C 64.080 0.300 1
507 55 55 PRO CB C 32.228 0.300 1
508 55 55 PRO CG C 27.173 0.300 1
509 55 55 PRO CD C 50.717 0.300 1
510 56 56 SER H H 8.209 0.030 1
511 56 56 SER HA H 4.397 0.030 1
512 56 56 SER HB2 H 3.915 0.030 1
513 56 56 SER HB3 H 3.915 0.030 1
514 56 56 SER C C 174.289 0.300 1
515 56 56 SER CA C 58.995 0.300 1
516 56 56 SER CB C 63.704 0.300 1
517 56 56 SER N N 113.674 0.300 1
518 57 57 GLN H H 7.702 0.030 1
519 57 57 GLN HA H 4.377 0.030 1
520 57 57 GLN HB2 H 2.081 0.030 2
521 57 57 GLN HB3 H 1.929 0.030 2
522 57 57 GLN HG2 H 2.277 0.030 1
523 57 57 GLN HG3 H 2.277 0.030 1
524 57 57 GLN HE21 H 7.503 0.030 2
525 57 57 GLN HE22 H 6.860 0.030 2
526 57 57 GLN C C 174.586 0.300 1
527 57 57 GLN CA C 55.173 0.300 1
528 57 57 GLN CB C 29.856 0.300 1
529 57 57 GLN CG C 33.706 0.300 1
530 57 57 GLN N N 121.841 0.300 1
531 57 57 GLN NE2 N 112.385 0.300 1
532 58 58 LEU H H 8.075 0.030 1
533 58 58 LEU HA H 4.147 0.030 1
534 58 58 LEU HB2 H 1.498 0.030 2
535 58 58 LEU HB3 H 0.743 0.030 2
536 58 58 LEU HG H 1.497 0.030 1
537 58 58 LEU HD1 H 0.432 0.030 1
538 58 58 LEU HD2 H 0.736 0.030 1
539 58 58 LEU C C 176.139 0.300 1
540 58 58 LEU CA C 54.563 0.300 1
541 58 58 LEU CB C 42.791 0.300 1
542 58 58 LEU CG C 26.908 0.300 1
543 58 58 LEU CD1 C 22.753 0.300 2
544 58 58 LEU CD2 C 25.576 0.300 2
545 58 58 LEU N N 123.679 0.300 1
546 59 59 VAL H H 9.001 0.030 1
547 59 59 VAL HA H 4.059 0.030 1
548 59 59 VAL HB H 1.826 0.030 1
549 59 59 VAL HG1 H 0.835 0.030 1
550 59 59 VAL C C 174.265 0.300 1
551 59 59 VAL CA C 61.836 0.300 1
552 59 59 VAL CB C 33.387 0.300 1
553 59 59 VAL CG1 C 21.132 0.300 2
554 59 59 VAL N N 124.703 0.300 1
555 60 60 PHE H H 8.745 0.030 1
556 60 60 PHE HA H 4.973 0.030 1
557 60 60 PHE HB2 H 2.715 0.030 1
558 60 60 PHE HB3 H 2.715 0.030 1
559 60 60 PHE HD1 H 6.891 0.030 1
560 60 60 PHE HD2 H 6.891 0.030 1
561 60 60 PHE HE1 H 7.026 0.030 1
562 60 60 PHE HE2 H 7.026 0.030 1
563 60 60 PHE HZ H 6.972 0.030 1
564 60 60 PHE C C 175.664 0.300 1
565 60 60 PHE CA C 58.016 0.300 1
566 60 60 PHE CB C 41.644 0.300 1
567 60 60 PHE CD1 C 131.430 0.300 1
568 60 60 PHE CD2 C 131.430 0.300 1
569 60 60 PHE CE1 C 131.442 0.300 1
570 60 60 PHE CE2 C 131.442 0.300 1
571 60 60 PHE CZ C 129.213 0.300 1
572 60 60 PHE N N 123.151 0.300 1
573 61 61 MET H H 9.195 0.030 1
574 61 61 MET HA H 4.943 0.030 1
575 61 61 MET HB2 H 2.112 0.030 2
576 61 61 MET HB3 H 2.078 0.030 2
577 61 61 MET HG2 H 2.597 0.030 2
578 61 61 MET HG3 H 2.496 0.030 2
579 61 61 MET HE H 2.146 0.030 1
580 61 61 MET C C 175.158 0.300 1
581 61 61 MET CA C 53.753 0.300 1
582 61 61 MET CB C 36.522 0.300 1
583 61 61 MET CG C 31.603 0.300 1
584 61 61 MET CE C 17.382 0.300 1
585 61 61 MET N N 122.680 0.300 1
586 62 62 ARG H H 9.409 0.030 1
587 62 62 ARG HA H 4.061 0.030 1
588 62 62 ARG HB2 H 2.030 0.030 2
589 62 62 ARG HB3 H 1.509 0.030 2
590 62 62 ARG HG2 H 1.331 0.030 2
591 62 62 ARG HG3 H 1.031 0.030 2
592 62 62 ARG HD2 H 3.151 0.030 2
593 62 62 ARG HD3 H 2.874 0.030 2
594 62 62 ARG C C 176.250 0.300 1
595 62 62 ARG CA C 58.137 0.300 1
596 62 62 ARG CB C 30.930 0.300 1
597 62 62 ARG CG C 27.397 0.300 1
598 62 62 ARG CD C 44.340 0.300 1
599 62 62 ARG N N 129.285 0.300 1
600 63 63 ILE H H 9.020 0.030 1
601 63 63 ILE HA H 4.673 0.030 1
602 63 63 ILE HB H 2.301 0.030 1
603 63 63 ILE HG12 H 1.371 0.030 2
604 63 63 ILE HG13 H 1.067 0.030 2
605 63 63 ILE HG2 H 1.030 0.030 1
606 63 63 ILE HD1 H 0.941 0.030 1
607 63 63 ILE C C 175.239 0.300 1
608 63 63 ILE CA C 60.622 0.300 1
609 63 63 ILE CB C 39.841 0.300 1
610 63 63 ILE CG1 C 27.114 0.300 1
611 63 63 ILE CG2 C 20.281 0.300 1
612 63 63 ILE CD1 C 15.661 0.300 1
613 63 63 ILE N N 120.346 0.300 1
614 64 64 TYR H H 7.600 0.030 1
615 64 64 TYR HA H 4.789 0.030 1
616 64 64 TYR HB2 H 3.664 0.030 2
617 64 64 TYR HB3 H 2.423 0.030 2
618 64 64 TYR HE1 H 7.021 0.030 1
619 64 64 TYR HE2 H 7.021 0.030 1
620 64 64 TYR C C 172.907 0.300 1
621 64 64 TYR CA C 58.542 0.300 1
622 64 64 TYR CB C 43.032 0.300 1
623 64 64 TYR CE1 C 118.993 0.300 1
624 64 64 TYR CE2 C 118.993 0.300 1
625 64 64 TYR N N 122.165 0.300 1
626 65 65 CYS H H 7.518 0.030 1
627 65 65 CYS HA H 5.093 0.030 1
628 65 65 CYS HB2 H 2.443 0.030 1
629 65 65 CYS HB3 H 2.443 0.030 1
630 65 65 CYS C C 173.403 0.300 1
631 65 65 CYS CA C 57.166 0.300 1
632 65 65 CYS CB C 28.354 0.300 1
633 65 65 CYS N N 128.526 0.300 1
634 66 66 GLY H H 8.686 0.030 1
635 66 66 GLY HA2 H 4.301 0.030 2
636 66 66 GLY HA3 H 4.262 0.030 2
637 66 66 GLY C C 172.287 0.300 1
638 66 66 GLY CA C 45.993 0.300 1
639 66 66 GLY N N 116.392 0.300 1
640 67 67 LEU H H 8.704 0.030 1
641 67 67 LEU HA H 4.683 0.030 1
642 67 67 LEU HB2 H 1.865 0.030 2
643 67 67 LEU HB3 H 1.705 0.030 2
644 67 67 LEU HG H 1.812 0.030 1
645 67 67 LEU HD1 H 0.950 0.030 1
646 67 67 LEU HD2 H 0.964 0.030 1
647 67 67 LEU C C 177.870 0.300 1
648 67 67 LEU CA C 55.872 0.300 1
649 67 67 LEU CB C 44.096 0.300 1
650 67 67 LEU CG C 27.766 0.300 1
651 67 67 LEU CD1 C 24.851 0.300 1
652 67 67 LEU CD2 C 24.129 0.300 1
653 67 67 LEU N N 120.082 0.300 1
654 68 68 LYS H H 7.789 0.030 1
655 68 68 LYS HA H 4.396 0.030 1
656 68 68 LYS HB2 H 2.045 0.030 2
657 68 68 LYS HB3 H 1.883 0.030 2
658 68 68 LYS HG2 H 1.654 0.030 2
659 68 68 LYS HG3 H 1.513 0.030 2
660 68 68 LYS HD2 H 1.717 0.030 1
661 68 68 LYS HD3 H 1.717 0.030 1
662 68 68 LYS HE2 H 3.004 0.030 1
663 68 68 LYS HE3 H 3.004 0.030 1
664 68 68 LYS C C 177.418 0.300 1
665 68 68 LYS CA C 56.687 0.300 1
666 68 68 LYS CB C 33.032 0.300 1
667 68 68 LYS CG C 25.579 0.300 1
668 68 68 LYS CD C 29.181 0.300 1
669 68 68 LYS CE C 42.133 0.300 1
670 68 68 LYS N N 118.026 0.300 1
671 69 69 THR H H 7.633 0.030 1
672 69 69 THR HA H 3.170 0.030 1
673 69 69 THR HB H 3.767 0.030 1
674 69 69 THR HG2 H 0.797 0.030 1
675 69 69 THR C C 171.400 0.300 1
676 69 69 THR CA C 59.267 0.300 1
677 69 69 THR CB C 66.035 0.300 1
678 69 69 THR CG2 C 21.137 0.300 1
679 69 69 THR N N 110.864 0.300 1
680 70 70 SER H H 6.233 0.030 1
681 70 70 SER HA H 4.047 0.030 1
682 70 70 SER HB2 H 3.418 0.030 2
683 70 70 SER HB3 H 3.357 0.030 2
684 70 70 SER C C 172.190 0.300 1
685 70 70 SER CA C 56.654 0.300 1
686 70 70 SER CB C 65.214 0.300 1
687 70 70 SER N N 109.532 0.300 1
688 71 71 CYS H H 8.513 0.030 1
689 71 71 CYS HA H 4.487 0.030 1
690 71 71 CYS HB2 H 2.788 0.030 2
691 71 71 CYS HB3 H 1.852 0.030 2
692 71 71 CYS HG H 0.817 0.030 1
693 71 71 CYS C C 171.609 0.300 1
694 71 71 CYS CA C 56.238 0.300 1
695 71 71 CYS CB C 30.382 0.300 1
696 71 71 CYS N N 110.990 0.300 1
697 72 72 THR H H 8.256 0.030 1
698 72 72 THR HA H 4.983 0.030 1
699 72 72 THR HB H 3.924 0.030 1
700 72 72 THR HG2 H 0.991 0.030 1
701 72 72 THR C C 173.551 0.300 1
702 72 72 THR CA C 61.439 0.300 1
703 72 72 THR CB C 70.829 0.300 1
704 72 72 THR CG2 C 21.819 0.300 1
705 72 72 THR N N 116.048 0.300 1
706 73 73 VAL H H 9.028 0.030 1
707 73 73 VAL HA H 4.554 0.030 1
708 73 73 VAL HB H 2.036 0.030 1
709 73 73 VAL HG1 H 1.162 0.030 1
710 73 73 VAL HG2 H 0.822 0.030 1
711 73 73 VAL C C 175.927 0.300 1
712 73 73 VAL CA C 61.162 0.300 1
713 73 73 VAL CB C 32.890 0.300 1
714 73 73 VAL CG1 C 21.915 0.300 1
715 73 73 VAL CG2 C 21.500 0.300 1
716 73 73 VAL N N 127.620 0.300 1
717 74 74 THR H H 8.788 0.030 1
718 74 74 THR HA H 4.531 0.030 1
719 74 74 THR HB H 4.788 0.030 1
720 74 74 THR HG2 H 1.350 0.030 1
721 74 74 THR C C 175.856 0.300 1
722 74 74 THR CA C 61.425 0.300 1
723 74 74 THR CB C 71.274 0.300 1
724 74 74 THR CG2 C 22.130 0.300 1
725 74 74 THR N N 117.497 0.300 1
726 75 75 ALA H H 8.848 0.030 1
727 75 75 ALA HA H 4.133 0.030 1
728 75 75 ALA HB H 1.520 0.030 1
729 75 75 ALA C C 181.153 0.300 1
730 75 75 ALA CA C 55.521 0.300 1
731 75 75 ALA CB C 18.212 0.300 1
732 75 75 ALA N N 122.595 0.300 1
733 76 76 GLY H H 8.726 0.030 1
734 76 76 GLY HA2 H 3.889 0.030 1
735 76 76 GLY HA3 H 3.889 0.030 1
736 76 76 GLY C C 176.736 0.300 1
737 76 76 GLY CA C 46.775 0.300 1
738 76 76 GLY N N 105.905 0.300 1
739 77 77 GLN H H 7.724 0.030 1
740 77 77 GLN HA H 4.168 0.030 1
741 77 77 GLN HB2 H 2.578 0.030 2
742 77 77 GLN HB3 H 1.740 0.030 2
743 77 77 GLN HG2 H 2.516 0.030 2
744 77 77 GLN HG3 H 2.427 0.030 2
745 77 77 GLN HE21 H 7.632 0.030 2
746 77 77 GLN HE22 H 6.969 0.030 2
747 77 77 GLN C C 178.784 0.300 1
748 77 77 GLN CA C 58.541 0.300 1
749 77 77 GLN CB C 29.192 0.300 1
750 77 77 GLN CG C 34.939 0.300 1
751 77 77 GLN N N 121.239 0.300 1
752 77 77 GLN NE2 N 110.316 0.300 1
753 78 78 LEU H H 8.222 0.030 1
754 78 78 LEU HA H 4.012 0.030 1
755 78 78 LEU HB2 H 1.941 0.030 2
756 78 78 LEU HB3 H 1.659 0.030 2
757 78 78 LEU HG H 1.903 0.030 1
758 78 78 LEU HD1 H 0.996 0.030 1
759 78 78 LEU HD2 H 1.043 0.030 1
760 78 78 LEU C C 179.222 0.300 1
761 78 78 LEU CA C 56.910 0.300 1
762 78 78 LEU CB C 41.861 0.300 1
763 78 78 LEU CG C 26.801 0.300 1
764 78 78 LEU CD1 C 25.523 0.300 1
765 78 78 LEU CD2 C 24.000 0.300 1
766 78 78 LEU N N 117.734 0.300 1
767 79 79 ALA H H 7.755 0.030 1
768 79 79 ALA HA H 4.201 0.030 1
769 79 79 ALA HB H 1.534 0.030 1
770 79 79 ALA C C 178.481 0.300 1
771 79 79 ALA CA C 54.722 0.300 1
772 79 79 ALA CB C 18.280 0.300 1
773 79 79 ALA N N 121.649 0.300 1
774 80 80 ASN H H 7.575 0.030 1
775 80 80 ASN HA H 4.964 0.030 1
776 80 80 ASN HB2 H 3.090 0.030 2
777 80 80 ASN HB3 H 2.690 0.030 2
778 80 80 ASN HD21 H 7.492 0.030 2
779 80 80 ASN HD22 H 6.976 0.030 2
780 80 80 ASN C C 174.333 0.300 1
781 80 80 ASN CA C 52.483 0.300 1
782 80 80 ASN CB C 39.564 0.300 1
783 80 80 ASN N N 113.575 0.300 1
784 80 80 ASN ND2 N 113.258 0.300 1
785 81 81 ALA H H 7.639 0.030 1
786 81 81 ALA HA H 4.315 0.030 1
787 81 81 ALA HB H 1.551 0.030 1
788 81 81 ALA C C 177.166 0.300 1
789 81 81 ALA CA C 53.075 0.300 1
790 81 81 ALA CB C 20.104 0.300 1
791 81 81 ALA N N 121.127 0.300 1
792 82 82 HIS H H 8.406 0.030 1
793 82 82 HIS HA H 4.338 0.030 1
794 82 82 HIS HB2 H 2.502 0.030 1
795 82 82 HIS HB3 H 2.502 0.030 1
796 82 82 HIS HD2 H 6.436 0.030 1
797 82 82 HIS HE1 H 7.743 0.030 1
798 82 82 HIS C C 174.016 0.300 1
799 82 82 HIS CA C 56.135 0.300 1
800 82 82 HIS CB C 31.493 0.300 1
801 82 82 HIS CD2 C 117.524 0.300 1
802 82 82 HIS CE1 C 139.307 0.300 1
803 82 82 HIS N N 122.204 0.300 1
804 83 83 ILE H H 7.575 0.030 1
805 83 83 ILE HA H 4.072 0.030 1
806 83 83 ILE HB H 1.548 0.030 1
807 83 83 ILE HG12 H 1.322 0.030 2
808 83 83 ILE HG13 H 0.962 0.030 2
809 83 83 ILE HG2 H 0.131 0.030 1
810 83 83 ILE HD1 H 0.640 0.030 1
811 83 83 ILE C C 173.676 0.300 1
812 83 83 ILE CA C 59.463 0.300 1
813 83 83 ILE CB C 37.204 0.300 1
814 83 83 ILE CG1 C 27.042 0.300 1
815 83 83 ILE CG2 C 17.509 0.300 1
816 83 83 ILE CD1 C 11.681 0.300 1
817 83 83 ILE N N 127.296 0.300 1
818 84 84 ASP H H 8.680 0.030 1
819 84 84 ASP HA H 4.480 0.030 1
820 84 84 ASP HB2 H 2.666 0.030 2
821 84 84 ASP HB3 H 2.388 0.030 2
822 84 84 ASP C C 176.295 0.300 1
823 84 84 ASP CA C 53.198 0.300 1
824 84 84 ASP CB C 43.105 0.300 1
825 84 84 ASP N N 126.073 0.300 1
826 85 85 TYR H H 8.762 0.030 1
827 85 85 TYR HA H 4.442 0.030 1
828 85 85 TYR HB2 H 3.416 0.030 2
829 85 85 TYR HB3 H 2.663 0.030 2
830 85 85 TYR HD1 H 7.130 0.030 1
831 85 85 TYR HD2 H 7.130 0.030 1
832 85 85 TYR HE1 H 6.733 0.030 1
833 85 85 TYR HE2 H 6.733 0.030 1
834 85 85 TYR C C 176.270 0.300 1
835 85 85 TYR CA C 58.838 0.300 1
836 85 85 TYR CB C 38.044 0.300 1
837 85 85 TYR CD1 C 133.161 0.300 1
838 85 85 TYR CD2 C 133.161 0.300 1
839 85 85 TYR CE1 C 118.144 0.300 1
840 85 85 TYR CE2 C 118.144 0.300 1
841 85 85 TYR N N 124.949 0.300 1
842 86 86 THR H H 8.272 0.030 1
843 86 86 THR HA H 3.998 0.030 1
844 86 86 THR HB H 4.159 0.030 1
845 86 86 THR HG2 H 1.293 0.030 1
846 86 86 THR C C 175.613 0.300 1
847 86 86 THR CA C 65.882 0.300 1
848 86 86 THR CB C 68.953 0.300 1
849 86 86 THR CG2 C 21.751 0.300 1
850 86 86 THR N N 115.837 0.300 1
851 87 87 SER H H 7.892 0.030 1
852 87 87 SER HA H 4.423 0.030 1
853 87 87 SER HB2 H 3.868 0.030 2
854 87 87 SER HB3 H 3.776 0.030 2
855 87 87 SER C C 174.024 0.300 1
856 87 87 SER CA C 57.093 0.300 1
857 87 87 SER CB C 62.959 0.300 1
858 87 87 SER N N 116.392 0.300 1
859 88 88 ARG H H 7.892 0.030 1
860 88 88 ARG HA H 4.476 0.030 1
861 88 88 ARG HB2 H 1.816 0.030 2
862 88 88 ARG HB3 H 1.720 0.030 2
863 88 88 ARG HG2 H 1.773 0.030 2
864 88 88 ARG HG3 H 1.708 0.030 2
865 88 88 ARG HD2 H 3.235 0.030 1
866 88 88 ARG HD3 H 3.235 0.030 1
867 88 88 ARG C C 174.218 0.300 1
868 88 88 ARG CA C 54.914 0.300 1
869 88 88 ARG CB C 29.901 0.300 1
870 88 88 ARG CG C 27.042 0.300 1
871 88 88 ARG CD C 43.553 0.300 1
872 88 88 ARG N N 122.780 0.300 1
873 89 89 PRO HA H 4.268 0.030 1
874 89 89 PRO HB2 H 1.616 0.030 1
875 89 89 PRO HB3 H 1.616 0.030 1
876 89 89 PRO HG2 H 2.109 0.030 2
877 89 89 PRO HG3 H 1.949 0.030 2
878 89 89 PRO HD2 H 3.806 0.030 2
879 89 89 PRO HD3 H 3.606 0.030 2
880 89 89 PRO C C 176.554 0.300 1
881 89 89 PRO CA C 63.640 0.300 1
882 89 89 PRO CB C 31.633 0.300 1
883 89 89 PRO CG C 27.915 0.300 1
884 89 89 PRO CD C 50.404 0.300 1
885 90 90 ALA H H 7.919 0.030 1
886 90 90 ALA HA H 5.002 0.030 1
887 90 90 ALA HB H 1.218 0.030 1
888 90 90 ALA C C 175.122 0.300 1
889 90 90 ALA CA C 51.327 0.300 1
890 90 90 ALA CB C 23.072 0.300 1
891 90 90 ALA N N 123.784 0.300 1
892 91 91 ILE H H 8.309 0.030 1
893 91 91 ILE HA H 4.479 0.030 1
894 91 91 ILE HB H 1.894 0.030 1
895 91 91 ILE HG12 H 1.481 0.030 2
896 91 91 ILE HG13 H 1.130 0.030 2
897 91 91 ILE HG2 H 0.728 0.030 1
898 91 91 ILE HD1 H 0.855 0.030 1
899 91 91 ILE C C 174.996 0.300 1
900 91 91 ILE CA C 60.621 0.300 1
901 91 91 ILE CB C 40.151 0.300 1
902 91 91 ILE CG1 C 28.828 0.300 1
903 91 91 ILE CG2 C 18.206 0.300 1
904 91 91 ILE CD1 C 13.754 0.300 1
905 91 91 ILE N N 120.485 0.300 1
906 92 92 VAL H H 9.513 0.030 1
907 92 92 VAL HA H 4.935 0.030 1
908 92 92 VAL HB H 1.904 0.030 1
909 92 92 VAL HG1 H 1.044 0.030 1
910 92 92 VAL HG2 H 0.881 0.030 1
911 92 92 VAL C C 174.359 0.300 1
912 92 92 VAL CA C 62.418 0.300 1
913 92 92 VAL CB C 34.055 0.300 1
914 92 92 VAL CG1 C 21.947 0.300 1
915 92 92 VAL CG2 C 21.006 0.300 1
916 92 92 VAL N N 126.629 0.300 1
917 93 93 PHE H H 8.856 0.030 1
918 93 93 PHE HA H 6.061 0.030 1
919 93 93 PHE HB2 H 3.053 0.030 2
920 93 93 PHE HB3 H 2.754 0.030 2
921 93 93 PHE HD1 H 7.186 0.030 1
922 93 93 PHE HD2 H 7.186 0.030 1
923 93 93 PHE HE1 H 7.103 0.030 1
924 93 93 PHE HE2 H 7.103 0.030 1
925 93 93 PHE HZ H 6.955 0.030 1
926 93 93 PHE C C 176.502 0.300 1
927 93 93 PHE CA C 55.630 0.300 1
928 93 93 PHE CB C 43.540 0.300 1
929 93 93 PHE CD1 C 132.284 0.300 1
930 93 93 PHE CD2 C 132.284 0.300 1
931 93 93 PHE CE1 C 130.904 0.300 1
932 93 93 PHE CE2 C 130.904 0.300 1
933 93 93 PHE CZ C 128.589 0.300 1
934 93 93 PHE N N 121.953 0.300 1
935 94 94 ARG H H 8.734 0.030 1
936 94 94 ARG HA H 5.591 0.030 1
937 94 94 ARG HB2 H 1.289 0.030 2
938 94 94 ARG HB3 H 0.974 0.030 2
939 94 94 ARG HG2 H 1.185 0.030 1
940 94 94 ARG HG3 H 1.185 0.030 1
941 94 94 ARG HD2 H 1.901 0.030 2
942 94 94 ARG HD3 H 1.260 0.030 2
943 94 94 ARG C C 175.462 0.300 1
944 94 94 ARG CA C 54.809 0.300 1
945 94 94 ARG CB C 36.297 0.300 1
946 94 94 ARG CG C 28.253 0.300 1
947 94 94 ARG CD C 42.951 0.300 1
948 94 94 ARG N N 117.701 0.300 1
949 95 95 ILE H H 8.596 0.030 1
950 95 95 ILE HA H 5.131 0.030 1
951 95 95 ILE HB H 1.097 0.030 1
952 95 95 ILE HG12 H 1.088 0.030 2
953 95 95 ILE HG13 H 0.650 0.030 2
954 95 95 ILE HG2 H -0.353 0.030 1
955 95 95 ILE HD1 H 0.406 0.030 1
956 95 95 ILE C C 174.370 0.300 1
957 95 95 ILE CA C 60.270 0.300 1
958 95 95 ILE CB C 41.451 0.300 1
959 95 95 ILE CG1 C 27.939 0.300 1
960 95 95 ILE CG2 C 16.614 0.300 1
961 95 95 ILE CD1 C 14.934 0.300 1
962 95 95 ILE N N 121.470 0.300 1
963 96 96 SER H H 9.227 0.030 1
964 96 96 SER HA H 4.885 0.030 1
965 96 96 SER HB2 H 3.890 0.030 2
966 96 96 SER HB3 H 3.657 0.030 2
967 96 96 SER C C 171.762 0.300 1
968 96 96 SER CA C 57.231 0.300 1
969 96 96 SER CB C 66.836 0.300 1
970 96 96 SER N N 121.033 0.300 1
971 97 97 ALA H H 9.783 0.030 1
972 97 97 ALA HA H 5.209 0.030 1
973 97 97 ALA HB H 1.347 0.030 1
974 97 97 ALA C C 173.440 0.300 1
975 97 97 ALA CA C 50.451 0.300 1
976 97 97 ALA CB C 24.252 0.300 1
977 97 97 ALA N N 125.200 0.300 1
978 98 98 LYS H H 8.333 0.030 1
979 98 98 LYS HA H 4.495 0.030 1
980 98 98 LYS HB2 H 0.927 0.030 1
981 98 98 LYS HB3 H 0.927 0.030 1
982 98 98 LYS HG2 H 1.312 0.030 2
983 98 98 LYS HG3 H 0.491 0.030 2
984 98 98 LYS HD2 H 1.309 0.030 2
985 98 98 LYS HD3 H 1.050 0.030 2
986 98 98 LYS HE2 H 2.699 0.030 1
987 98 98 LYS HE3 H 2.699 0.030 1
988 98 98 LYS C C 176.230 0.300 1
989 98 98 LYS CA C 54.207 0.300 1
990 98 98 LYS CB C 35.894 0.300 1
991 98 98 LYS CG C 24.883 0.300 1
992 98 98 LYS CD C 29.699 0.300 1
993 98 98 LYS CE C 42.232 0.300 1
994 98 98 LYS N N 120.902 0.300 1
995 99 99 ASN H H 8.135 0.030 1
996 99 99 ASN HA H 5.157 0.030 1
997 99 99 ASN HB2 H 3.509 0.030 2
998 99 99 ASN HB3 H 2.540 0.030 2
999 99 99 ASN HD21 H 7.557 0.030 2
1000 99 99 ASN HD22 H 7.198 0.030 2
1001 99 99 ASN C C 175.851 0.300 1
1002 99 99 ASN CA C 51.239 0.300 1
1003 99 99 ASN CB C 40.007 0.300 1
1004 99 99 ASN N N 126.503 0.300 1
1005 99 99 ASN ND2 N 109.982 0.300 1
1006 100 100 GLU H H 9.437 0.030 1
1007 100 100 GLU HA H 3.959 0.030 1
1008 100 100 GLU HB2 H 2.093 0.030 2
1009 100 100 GLU HB3 H 2.040 0.030 2
1010 100 100 GLU HG2 H 2.397 0.030 2
1011 100 100 GLU HG3 H 2.329 0.030 2
1012 100 100 GLU C C 177.292 0.300 1
1013 100 100 GLU CA C 59.825 0.300 1
1014 100 100 GLU CB C 28.878 0.300 1
1015 100 100 GLU CG C 36.593 0.300 1
1016 100 100 GLU N N 117.185 0.300 1
1017 101 101 LYS H H 7.976 0.030 1
1018 101 101 LYS HA H 4.334 0.030 1
1019 101 101 LYS HB2 H 1.888 0.030 2
1020 101 101 LYS HB3 H 1.757 0.030 2
1021 101 101 LYS HG2 H 1.386 0.030 2
1022 101 101 LYS HG3 H 1.318 0.030 2
1023 101 101 LYS HD2 H 1.601 0.030 1
1024 101 101 LYS HD3 H 1.601 0.030 1
1025 101 101 LYS HE2 H 2.978 0.030 1
1026 101 101 LYS HE3 H 2.978 0.030 1
1027 101 101 LYS C C 176.660 0.300 1
1028 101 101 LYS CA C 55.840 0.300 1
1029 101 101 LYS CB C 32.306 0.300 1
1030 101 101 LYS CG C 24.963 0.300 1
1031 101 101 LYS CD C 28.341 0.300 1
1032 101 101 LYS CE C 42.326 0.300 1
1033 101 101 LYS N N 117.258 0.300 1
1034 102 102 GLY H H 7.677 0.030 1
1035 102 102 GLY HA2 H 4.576 0.030 2
1036 102 102 GLY HA3 H 3.618 0.030 2
1037 102 102 GLY C C 172.806 0.300 1
1038 102 102 GLY CA C 44.727 0.300 1
1039 102 102 GLY N N 106.851 0.300 1
1040 103 103 TYR H H 8.599 0.030 1
1041 103 103 TYR HA H 4.914 0.030 1
1042 103 103 TYR HB2 H 3.126 0.030 2
1043 103 103 TYR HB3 H 2.806 0.030 2
1044 103 103 TYR HD1 H 7.170 0.030 1
1045 103 103 TYR HD2 H 7.170 0.030 1
1046 103 103 TYR HE1 H 6.742 0.030 1
1047 103 103 TYR HE2 H 6.742 0.030 1
1048 103 103 TYR C C 179.000 0.300 1
1049 103 103 TYR CA C 59.715 0.300 1
1050 103 103 TYR CB C 40.252 0.300 1
1051 103 103 TYR CD1 C 133.527 0.300 1
1052 103 103 TYR CD2 C 133.527 0.300 1
1053 103 103 TYR CE1 C 119.403 0.300 1
1054 103 103 TYR CE2 C 119.403 0.300 1
1055 103 103 TYR N N 118.343 0.300 1
1056 104 104 GLY H H 8.821 0.030 1
1057 104 104 GLY HA2 H 4.494 0.030 2
1058 104 104 GLY HA3 H 4.197 0.030 2
1059 104 104 GLY C C 171.482 0.300 1
1060 104 104 GLY CA C 43.886 0.300 1
1061 104 104 GLY N N 111.155 0.300 1
1062 105 105 PRO HA H 4.428 0.030 1
1063 105 105 PRO HB2 H 2.318 0.030 2
1064 105 105 PRO HB3 H 1.890 0.030 2
1065 105 105 PRO HG2 H 2.054 0.030 2
1066 105 105 PRO HG3 H 1.965 0.030 2
1067 105 105 PRO HD2 H 3.831 0.030 2
1068 105 105 PRO HD3 H 3.577 0.030 2
1069 105 105 PRO C C 176.190 0.300 1
1070 105 105 PRO CA C 62.175 0.300 1
1071 105 105 PRO CB C 32.523 0.300 1
1072 105 105 PRO CG C 27.078 0.300 1
1073 105 105 PRO CD C 49.768 0.300 1
1074 106 106 ALA H H 8.294 0.030 1
1075 106 106 ALA HA H 4.879 0.030 1
1076 106 106 ALA HB H 1.040 0.030 1
1077 106 106 ALA C C 179.243 0.300 1
1078 106 106 ALA CA C 50.362 0.300 1
1079 106 106 ALA CB C 20.050 0.300 1
1080 106 106 ALA N N 121.205 0.300 1
1081 107 107 THR H H 8.916 0.030 1
1082 107 107 THR HA H 4.494 0.030 1
1083 107 107 THR HB H 3.867 0.030 1
1084 107 107 THR HG2 H 1.147 0.030 1
1085 107 107 THR C C 172.580 0.300 1
1086 107 107 THR CA C 61.542 0.300 1
1087 107 107 THR CB C 69.870 0.300 1
1088 107 107 THR CG2 C 22.435 0.300 1
1089 107 107 THR N N 119.249 0.300 1
1090 108 108 GLN H H 8.814 0.030 1
1091 108 108 GLN HA H 5.468 0.030 1
1092 108 108 GLN HB2 H 2.097 0.030 2
1093 108 108 GLN HB3 H 1.892 0.030 2
1094 108 108 GLN HG2 H 2.212 0.030 2
1095 108 108 GLN HG3 H 2.165 0.030 2
1096 108 108 GLN HE21 H 7.609 0.030 2
1097 108 108 GLN HE22 H 6.985 0.030 2
1098 108 108 GLN C C 174.643 0.300 1
1099 108 108 GLN CA C 54.557 0.300 1
1100 108 108 GLN CB C 32.160 0.300 1
1101 108 108 GLN CG C 35.741 0.300 1
1102 108 108 GLN N N 129.113 0.300 1
1103 108 108 GLN NE2 N 112.365 0.300 1
1104 109 109 ILE H H 9.050 0.030 1
1105 109 109 ILE HA H 4.760 0.030 1
1106 109 109 ILE HB H 1.839 0.030 1
1107 109 109 ILE HG12 H 1.190 0.030 2
1108 109 109 ILE HG13 H 1.584 0.030 2
1109 109 109 ILE HG2 H 0.976 0.030 1
1110 109 109 ILE HD1 H 0.870 0.030 1
1111 109 109 ILE C C 173.096 0.300 1
1112 109 109 ILE CA C 59.188 0.300 1
1113 109 109 ILE CB C 41.964 0.300 1
1114 109 109 ILE CG1 C 28.063 0.300 1
1115 109 109 ILE CG2 C 17.881 0.300 1
1116 109 109 ILE CD1 C 14.116 0.300 1
1117 109 109 ILE N N 125.292 0.300 1
1118 110 110 ARG H H 8.534 0.030 1
1119 110 110 ARG HA H 5.135 0.030 1
1120 110 110 ARG HB2 H 1.805 0.030 2
1121 110 110 ARG HB3 H 1.596 0.030 2
1122 110 110 ARG HG2 H 1.750 0.030 2
1123 110 110 ARG HG3 H 1.453 0.030 2
1124 110 110 ARG HD2 H 3.341 0.030 2
1125 110 110 ARG HD3 H 3.172 0.030 2
1126 110 110 ARG C C 175.026 0.300 1
1127 110 110 ARG CA C 54.849 0.300 1
1128 110 110 ARG CB C 31.931 0.300 1
1129 110 110 ARG CG C 28.555 0.300 1
1130 110 110 ARG CD C 43.420 0.300 1
1131 110 110 ARG N N 124.374 0.300 1
1132 111 111 TRP H H 9.828 0.030 1
1133 111 111 TRP HA H 5.217 0.030 1
1134 111 111 TRP HB2 H 3.527 0.030 2
1135 111 111 TRP HB3 H 3.002 0.030 2
1136 111 111 TRP HD1 H 7.342 0.030 1
1137 111 111 TRP HE1 H 10.256 0.030 1
1138 111 111 TRP HE3 H 7.566 0.030 1
1139 111 111 TRP HZ2 H 7.427 0.030 1
1140 111 111 TRP HZ3 H 7.148 0.030 1
1141 111 111 TRP HH2 H 7.209 0.030 1
1142 111 111 TRP C C 175.482 0.300 1
1143 111 111 TRP CA C 55.186 0.300 1
1144 111 111 TRP CB C 30.363 0.300 1
1145 111 111 TRP CD1 C 126.959 0.300 1
1146 111 111 TRP CE3 C 120.402 0.300 1
1147 111 111 TRP CZ2 C 114.509 0.300 1
1148 111 111 TRP CZ3 C 121.651 0.300 1
1149 111 111 TRP CH2 C 124.617 0.300 1
1150 111 111 TRP N N 126.582 0.300 1
1151 111 111 TRP NE1 N 130.221 0.300 1
1152 112 112 LEU H H 8.444 0.030 1
1153 112 112 LEU HA H 4.286 0.030 1
1154 112 112 LEU HB2 H 1.599 0.030 2
1155 112 112 LEU HB3 H 1.368 0.030 2
1156 112 112 LEU HG H 1.694 0.030 1
1157 112 112 LEU HD1 H 0.894 0.030 1
1158 112 112 LEU HD2 H 0.764 0.030 1
1159 112 112 LEU C C 176.543 0.300 1
1160 112 112 LEU CA C 55.682 0.300 1
1161 112 112 LEU CB C 41.097 0.300 1
1162 112 112 LEU CG C 27.250 0.300 1
1163 112 112 LEU CD1 C 25.299 0.300 1
1164 112 112 LEU CD2 C 23.765 0.300 1
1165 112 112 LEU N N 130.069 0.300 1
1166 113 113 GLN H H 7.917 0.030 1
1167 113 113 GLN HA H 3.839 0.030 1
1168 113 113 GLN HB2 H 1.935 0.030 2
1169 113 113 GLN HB3 H 1.578 0.030 2
1170 113 113 GLN HG2 H 1.996 0.030 1
1171 113 113 GLN HG3 H 1.996 0.030 1
1172 113 113 GLN HE21 H 6.513 0.030 1
1173 113 113 GLN HE22 H 6.513 0.030 1
1174 113 113 GLN C C 176.094 0.300 1
1175 113 113 GLN CA C 54.629 0.300 1
1176 113 113 GLN CB C 30.390 0.300 1
1177 113 113 GLN CG C 33.816 0.300 1
1178 113 113 GLN N N 120.234 0.300 1
1179 113 113 GLN NE2 N 111.674 0.300 1
1180 114 114 GLY H H 8.279 0.030 1
1181 114 114 GLY CA C 45.194 0.300 1
1182 114 114 GLY N N 109.687 0.300 1
stop_
save_