data_11204
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the second PDZ domain of harmonin protein
;
_BMRB_accession_number 11204
_BMRB_flat_file_name bmr11204.str
_Entry_type original
_Submission_date 2010-07-22
_Accession_date 2010-07-23
_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 Qin X. . .
2 Hayashi F. . .
3 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" 614
"13C chemical shifts" 463
"15N chemical shifts" 107
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-07-21 original author .
stop_
_Original_release_date 2011-07-21
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of the second PDZ domain of harmonin 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 Qin X. . .
2 Hayashi F. . .
3 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 Harmonin
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'PDZ domain of harmonin protein' $entity_1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'PDZ domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 114
_Mol_residue_sequence
;
GSSGSSGSPGNRENKEKKVF
ISLVGSRGLGCSISSGPIQK
PGIFISHVKPGSLSAEVGLE
IGDQIVEVNGVDFSNLDHKE
AVNVLKSSRSLTISIVAAAG
RELFMTDRSGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 SER 9 PRO 10 GLY
11 ASN 12 ARG 13 GLU 14 ASN 15 LYS
16 GLU 17 LYS 18 LYS 19 VAL 20 PHE
21 ILE 22 SER 23 LEU 24 VAL 25 GLY
26 SER 27 ARG 28 GLY 29 LEU 30 GLY
31 CYS 32 SER 33 ILE 34 SER 35 SER
36 GLY 37 PRO 38 ILE 39 GLN 40 LYS
41 PRO 42 GLY 43 ILE 44 PHE 45 ILE
46 SER 47 HIS 48 VAL 49 LYS 50 PRO
51 GLY 52 SER 53 LEU 54 SER 55 ALA
56 GLU 57 VAL 58 GLY 59 LEU 60 GLU
61 ILE 62 GLY 63 ASP 64 GLN 65 ILE
66 VAL 67 GLU 68 VAL 69 ASN 70 GLY
71 VAL 72 ASP 73 PHE 74 SER 75 ASN
76 LEU 77 ASP 78 HIS 79 LYS 80 GLU
81 ALA 82 VAL 83 ASN 84 VAL 85 LEU
86 LYS 87 SER 88 SER 89 ARG 90 SER
91 LEU 92 THR 93 ILE 94 SER 95 ILE
96 VAL 97 ALA 98 ALA 99 ALA 100 GLY
101 ARG 102 GLU 103 LEU 104 PHE 105 MET
106 THR 107 ASP 108 ARG 109 SER 110 GLY
111 PRO 112 SER 113 SER 114 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-31
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 1X5N "Solution Structure Of The Second Pdz Domain Of Harmonin Protein" 100.00 114 100.00 100.00 1.54e-71
PDB 2KBS "Solution Structure Of Harmonin Pdz2 In Complex With The Carboxyl Tail Peptide Of Cadherin23" 80.70 92 100.00 100.00 4.40e-56
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid p040510-04
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
1.13mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;}
1mM {d-DTT;} 0.02% NaN3
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.13 mM '[U-13C; U-15N]'
d-Tris-HCl 20 mM 'natural abundance'
NaCl 100 mM 'natural abundance'
d-DTT 1 mM 'natural abundance'
NaN3 0.02 % 'natural abundance'
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Saveframe_category software
_Name VNMR
_Version 6.1C
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 20020425
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_NMRView
_Saveframe_category software
_Name NMRView
_Version 5.0.4
loop_
_Vendor
_Address
_Electronic_address
'Johnson, B.A.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_Kujira
_Saveframe_category software
_Name Kujira
_Version 0.9296
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 1.0.7
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
refinement
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 120 0.1 mM
pH 7.0 0.05 pH
pressure 1 0.001 atm
temperature 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_
_Software_label
$VNMR
$NMRPipe
$NMRView
$Kujira
$CYANA
stop_
loop_
_Experiment_label
'3D 15N-separated NOESY'
'3D 13C-separated NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $reference_1
_Mol_system_component_name 'PDZ domain of harmonin protein'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 1 GLY HA2 H 3.880 0.030 1
2 1 1 GLY HA3 H 3.880 0.030 1
3 1 1 GLY CA C 43.723 0.300 1
4 6 6 SER HA H 4.488 0.030 1
5 6 6 SER HB2 H 3.920 0.030 1
6 6 6 SER HB3 H 3.920 0.030 1
7 6 6 SER C C 174.985 0.300 1
8 6 6 SER CA C 58.753 0.300 1
9 6 6 SER CB C 63.888 0.300 1
10 7 7 GLY H H 8.411 0.030 1
11 7 7 GLY HA2 H 3.996 0.030 1
12 7 7 GLY HA3 H 3.996 0.030 1
13 7 7 GLY C C 173.839 0.300 1
14 7 7 GLY CA C 45.228 0.300 1
15 7 7 GLY N N 110.670 0.300 1
16 8 8 SER H H 8.215 0.030 1
17 8 8 SER HA H 4.793 0.030 1
18 8 8 SER HB2 H 3.996 0.030 2
19 8 8 SER HB3 H 3.893 0.030 2
20 8 8 SER C C 172.992 0.300 1
21 8 8 SER CA C 56.426 0.300 1
22 8 8 SER CB C 63.376 0.300 1
23 8 8 SER N N 116.839 0.300 1
24 9 9 PRO HA H 4.442 0.030 1
25 9 9 PRO HB2 H 2.308 0.030 2
26 9 9 PRO HB3 H 1.964 0.030 2
27 9 9 PRO HD2 H 3.828 0.030 2
28 9 9 PRO HD3 H 3.734 0.030 2
29 9 9 PRO HG2 H 2.048 0.030 1
30 9 9 PRO HG3 H 2.048 0.030 1
31 9 9 PRO C C 177.626 0.300 1
32 9 9 PRO CA C 63.788 0.300 1
33 9 9 PRO CB C 32.101 0.300 1
34 9 9 PRO CD C 50.797 0.300 1
35 9 9 PRO CG C 27.413 0.300 1
36 10 10 GLY H H 8.462 0.030 1
37 10 10 GLY HA2 H 3.947 0.030 1
38 10 10 GLY HA3 H 3.947 0.030 1
39 10 10 GLY C C 173.964 0.300 1
40 10 10 GLY CA C 45.350 0.300 1
41 10 10 GLY N N 108.881 0.300 1
42 11 11 ASN H H 8.271 0.030 1
43 11 11 ASN HA H 4.736 0.030 1
44 11 11 ASN HB2 H 2.862 0.030 2
45 11 11 ASN HB3 H 2.772 0.030 2
46 11 11 ASN HD21 H 7.616 0.030 2
47 11 11 ASN HD22 H 6.963 0.030 2
48 11 11 ASN C C 175.407 0.300 1
49 11 11 ASN CA C 53.316 0.300 1
50 11 11 ASN CB C 39.008 0.300 1
51 11 11 ASN N N 118.779 0.300 1
52 11 11 ASN ND2 N 112.697 0.300 1
53 12 12 ARG H H 8.387 0.030 1
54 12 12 ARG HA H 4.319 0.030 1
55 12 12 ARG HB2 H 1.894 0.030 2
56 12 12 ARG HB3 H 1.777 0.030 2
57 12 12 ARG HD2 H 3.194 0.030 1
58 12 12 ARG HD3 H 3.194 0.030 1
59 12 12 ARG HG2 H 1.644 0.030 2
60 12 12 ARG HG3 H 1.616 0.030 2
61 12 12 ARG C C 176.315 0.300 1
62 12 12 ARG CA C 56.452 0.300 1
63 12 12 ARG CB C 30.678 0.300 1
64 12 12 ARG CD C 43.233 0.300 1
65 12 12 ARG CG C 27.110 0.300 1
66 12 12 ARG N N 121.432 0.300 1
67 13 13 GLU H H 8.462 0.030 1
68 13 13 GLU HA H 4.237 0.030 1
69 13 13 GLU HB2 H 2.037 0.030 2
70 13 13 GLU HB3 H 1.945 0.030 2
71 13 13 GLU HG2 H 2.267 0.030 2
72 13 13 GLU HG3 H 2.228 0.030 2
73 13 13 GLU C C 176.272 0.300 1
74 13 13 GLU CA C 56.900 0.300 1
75 13 13 GLU CB C 30.270 0.300 1
76 13 13 GLU CG C 36.357 0.300 1
77 13 13 GLU N N 121.106 0.300 1
78 14 14 ASN H H 8.439 0.030 1
79 14 14 ASN HA H 4.734 0.030 1
80 14 14 ASN HB2 H 2.866 0.030 2
81 14 14 ASN HB3 H 2.771 0.030 2
82 14 14 ASN HD21 H 7.631 0.030 2
83 14 14 ASN HD22 H 6.971 0.030 2
84 14 14 ASN C C 175.022 0.300 1
85 14 14 ASN CA C 53.435 0.300 1
86 14 14 ASN CB C 39.012 0.300 1
87 14 14 ASN N N 119.696 0.300 1
88 14 14 ASN ND2 N 112.679 0.300 1
89 15 15 LYS H H 8.362 0.030 1
90 15 15 LYS HA H 4.365 0.030 1
91 15 15 LYS HB2 H 1.969 0.030 2
92 15 15 LYS HB3 H 1.792 0.030 2
93 15 15 LYS HD2 H 1.695 0.030 1
94 15 15 LYS HD3 H 1.695 0.030 1
95 15 15 LYS HE2 H 2.995 0.030 1
96 15 15 LYS HE3 H 2.995 0.030 1
97 15 15 LYS HG2 H 1.475 0.030 2
98 15 15 LYS HG3 H 1.427 0.030 2
99 15 15 LYS C C 176.005 0.300 1
100 15 15 LYS CA C 56.238 0.300 1
101 15 15 LYS CB C 33.275 0.300 1
102 15 15 LYS CD C 28.944 0.300 1
103 15 15 LYS CE C 42.223 0.300 1
104 15 15 LYS CG C 24.799 0.300 1
105 15 15 LYS N N 121.302 0.300 1
106 16 16 GLU H H 8.295 0.030 1
107 16 16 GLU HA H 4.874 0.030 1
108 16 16 GLU HB2 H 1.932 0.030 1
109 16 16 GLU HB3 H 1.932 0.030 1
110 16 16 GLU HG2 H 2.205 0.030 2
111 16 16 GLU HG3 H 2.127 0.030 2
112 16 16 GLU C C 176.164 0.300 1
113 16 16 GLU CA C 56.083 0.300 1
114 16 16 GLU CB C 30.892 0.300 1
115 16 16 GLU CG C 36.671 0.300 1
116 16 16 GLU N N 121.650 0.300 1
117 17 17 LYS H H 8.766 0.030 1
118 17 17 LYS HA H 4.654 0.030 1
119 17 17 LYS HB2 H 1.749 0.030 2
120 17 17 LYS HB3 H 1.664 0.030 2
121 17 17 LYS HD2 H 1.618 0.030 1
122 17 17 LYS HD3 H 1.618 0.030 1
123 17 17 LYS HE2 H 2.830 0.030 1
124 17 17 LYS HE3 H 2.830 0.030 1
125 17 17 LYS HG2 H 1.287 0.030 1
126 17 17 LYS HG3 H 1.287 0.030 1
127 17 17 LYS C C 173.961 0.300 1
128 17 17 LYS CA C 55.183 0.300 1
129 17 17 LYS CB C 35.728 0.300 1
130 17 17 LYS CD C 29.656 0.300 1
131 17 17 LYS CE C 42.226 0.300 1
132 17 17 LYS CG C 24.686 0.300 1
133 17 17 LYS N N 122.749 0.300 1
134 18 18 LYS H H 8.405 0.030 1
135 18 18 LYS HA H 5.286 0.030 1
136 18 18 LYS HB2 H 1.617 0.030 2
137 18 18 LYS HB3 H 1.491 0.030 2
138 18 18 LYS HD2 H 1.518 0.030 1
139 18 18 LYS HD3 H 1.518 0.030 1
140 18 18 LYS HE2 H 2.825 0.030 1
141 18 18 LYS HE3 H 2.825 0.030 1
142 18 18 LYS HG2 H 1.287 0.030 2
143 18 18 LYS HG3 H 1.199 0.030 2
144 18 18 LYS C C 176.178 0.300 1
145 18 18 LYS CA C 55.116 0.300 1
146 18 18 LYS CB C 34.780 0.300 1
147 18 18 LYS CD C 29.344 0.300 1
148 18 18 LYS CE C 42.007 0.300 1
149 18 18 LYS CG C 24.982 0.300 1
150 18 18 LYS N N 123.139 0.300 1
151 19 19 VAL H H 9.072 0.030 1
152 19 19 VAL HA H 4.553 0.030 1
153 19 19 VAL HB H 1.960 0.030 1
154 19 19 VAL HG1 H 0.842 0.030 1
155 19 19 VAL HG2 H 0.776 0.030 1
156 19 19 VAL C C 173.222 0.300 1
157 19 19 VAL CA C 59.905 0.300 1
158 19 19 VAL CB C 35.120 0.300 1
159 19 19 VAL CG1 C 21.196 0.300 2
160 19 19 VAL CG2 C 20.018 0.300 2
161 19 19 VAL N N 120.471 0.300 1
162 20 20 PHE H H 8.513 0.030 1
163 20 20 PHE HA H 5.465 0.030 1
164 20 20 PHE HB2 H 2.943 0.030 2
165 20 20 PHE HB3 H 2.898 0.030 2
166 20 20 PHE HD1 H 7.250 0.030 1
167 20 20 PHE HD2 H 7.250 0.030 1
168 20 20 PHE HE1 H 7.214 0.030 1
169 20 20 PHE HE2 H 7.214 0.030 1
170 20 20 PHE HZ H 7.194 0.030 1
171 20 20 PHE C C 174.560 0.300 1
172 20 20 PHE CA C 56.260 0.300 1
173 20 20 PHE CB C 41.327 0.300 1
174 20 20 PHE CD1 C 132.161 0.300 1
175 20 20 PHE CD2 C 132.161 0.300 1
176 20 20 PHE CE1 C 130.940 0.300 1
177 20 20 PHE CE2 C 130.940 0.300 1
178 20 20 PHE CZ C 129.189 0.300 1
179 20 20 PHE N N 124.114 0.300 1
180 21 21 ILE H H 8.789 0.030 1
181 21 21 ILE HA H 4.115 0.030 1
182 21 21 ILE HB H 1.530 0.030 1
183 21 21 ILE HD1 H 0.614 0.030 1
184 21 21 ILE HG12 H 1.366 0.030 2
185 21 21 ILE HG13 H 0.887 0.030 2
186 21 21 ILE HG2 H 0.704 0.030 1
187 21 21 ILE C C 173.953 0.300 1
188 21 21 ILE CA C 60.098 0.300 1
189 21 21 ILE CB C 41.580 0.300 1
190 21 21 ILE CD1 C 14.193 0.300 1
191 21 21 ILE CG1 C 27.530 0.300 1
192 21 21 ILE CG2 C 18.660 0.300 1
193 21 21 ILE N N 125.843 0.300 1
194 22 22 SER H H 8.320 0.030 1
195 22 22 SER HA H 4.663 0.030 1
196 22 22 SER HB2 H 3.749 0.030 1
197 22 22 SER HB3 H 3.749 0.030 1
198 22 22 SER C C 174.279 0.300 1
199 22 22 SER CA C 57.115 0.300 1
200 22 22 SER CB C 63.666 0.300 1
201 22 22 SER N N 121.564 0.300 1
202 23 23 LEU H H 8.480 0.030 1
203 23 23 LEU HA H 4.360 0.030 1
204 23 23 LEU HB2 H 1.636 0.030 2
205 23 23 LEU HB3 H 1.578 0.030 2
206 23 23 LEU HD1 H 0.765 0.030 1
207 23 23 LEU HD2 H 0.910 0.030 1
208 23 23 LEU HG H 1.458 0.030 1
209 23 23 LEU C C 176.135 0.300 1
210 23 23 LEU CA C 55.160 0.300 1
211 23 23 LEU CB C 41.615 0.300 1
212 23 23 LEU CD1 C 24.524 0.300 2
213 23 23 LEU CD2 C 25.397 0.300 2
214 23 23 LEU CG C 27.465 0.300 1
215 23 23 LEU N N 125.627 0.300 1
216 24 24 VAL H H 7.733 0.030 1
217 24 24 VAL HA H 4.088 0.030 1
218 24 24 VAL HB H 2.019 0.030 1
219 24 24 VAL HG1 H 0.935 0.030 1
220 24 24 VAL HG2 H 0.902 0.030 1
221 24 24 VAL C C 176.409 0.300 1
222 24 24 VAL CA C 62.092 0.300 1
223 24 24 VAL CB C 33.294 0.300 1
224 24 24 VAL CG1 C 21.201 0.300 2
225 24 24 VAL CG2 C 20.623 0.300 2
226 24 24 VAL N N 121.882 0.300 1
227 25 25 GLY H H 8.590 0.030 1
228 25 25 GLY HA2 H 4.042 0.030 2
229 25 25 GLY HA3 H 3.978 0.030 2
230 25 25 GLY C C 175.162 0.300 1
231 25 25 GLY CA C 45.714 0.300 1
232 25 25 GLY N N 113.274 0.300 1
233 26 26 SER HA H 4.467 0.030 1
234 26 26 SER HB2 H 3.995 0.030 2
235 26 26 SER HB3 H 3.891 0.030 2
236 26 26 SER C C 175.165 0.300 1
237 26 26 SER CA C 58.733 0.300 1
238 26 26 SER CB C 63.600 0.300 1
239 27 27 ARG H H 8.037 0.030 1
240 27 27 ARG HA H 4.302 0.030 1
241 27 27 ARG HB2 H 1.989 0.030 2
242 27 27 ARG HB3 H 1.880 0.030 2
243 27 27 ARG HD2 H 3.202 0.030 2
244 27 27 ARG HD3 H 3.272 0.030 2
245 27 27 ARG HG2 H 1.856 0.030 2
246 27 27 ARG HG3 H 1.720 0.030 2
247 27 27 ARG C C 176.669 0.300 1
248 27 27 ARG CA C 57.161 0.300 1
249 27 27 ARG CB C 31.042 0.300 1
250 27 27 ARG CD C 43.645 0.300 1
251 27 27 ARG CG C 27.189 0.300 1
252 27 27 ARG N N 121.337 0.300 1
253 28 28 GLY H H 8.214 0.030 1
254 28 28 GLY HA2 H 4.110 0.030 2
255 28 28 GLY HA3 H 3.983 0.030 2
256 28 28 GLY C C 173.720 0.300 1
257 28 28 GLY CA C 44.067 0.300 1
258 28 28 GLY N N 107.650 0.300 1
259 29 29 LEU H H 8.772 0.030 1
260 29 29 LEU HA H 4.083 0.030 1
261 29 29 LEU HB2 H 1.816 0.030 2
262 29 29 LEU HB3 H 1.715 0.030 2
263 29 29 LEU HD1 H 0.809 0.030 1
264 29 29 LEU HD2 H 0.812 0.030 1
265 29 29 LEU HG H 1.677 0.030 1
266 29 29 LEU C C 179.796 0.300 1
267 29 29 LEU CA C 57.998 0.300 1
268 29 29 LEU CB C 43.148 0.300 1
269 29 29 LEU CD1 C 24.642 0.300 2
270 29 29 LEU CD2 C 25.452 0.300 2
271 29 29 LEU CG C 27.483 0.300 1
272 29 29 LEU N N 120.352 0.300 1
273 30 30 GLY H H 8.879 0.030 1
274 30 30 GLY HA2 H 4.256 0.030 2
275 30 30 GLY HA3 H 3.842 0.030 2
276 30 30 GLY C C 172.475 0.300 1
277 30 30 GLY CA C 46.525 0.300 1
278 31 31 CYS H H 7.251 0.030 1
279 31 31 CYS HA H 5.526 0.030 1
280 31 31 CYS HB2 H 3.206 0.030 2
281 31 31 CYS HB3 H 2.817 0.030 2
282 31 31 CYS C C 173.347 0.300 1
283 31 31 CYS CA C 54.761 0.300 1
284 31 31 CYS CB C 30.447 0.300 1
285 31 31 CYS N N 111.536 0.300 1
286 32 32 SER H H 8.643 0.030 1
287 32 32 SER HA H 4.998 0.030 1
288 32 32 SER HB2 H 3.904 0.030 2
289 32 32 SER HB3 H 3.693 0.030 2
290 32 32 SER C C 173.176 0.300 1
291 32 32 SER CA C 56.979 0.300 1
292 32 32 SER CB C 65.050 0.300 1
293 32 32 SER N N 118.122 0.300 1
294 33 33 ILE H H 8.687 0.030 1
295 33 33 ILE HA H 5.527 0.030 1
296 33 33 ILE HB H 1.807 0.030 1
297 33 33 ILE HD1 H 0.660 0.030 1
298 33 33 ILE HG12 H 1.430 0.030 2
299 33 33 ILE HG13 H 1.037 0.030 2
300 33 33 ILE HG2 H 0.702 0.030 1
301 33 33 ILE C C 175.944 0.300 1
302 33 33 ILE CA C 58.673 0.300 1
303 33 33 ILE CB C 42.481 0.300 1
304 33 33 ILE CD1 C 15.084 0.300 1
305 33 33 ILE CG1 C 25.311 0.300 1
306 33 33 ILE CG2 C 19.021 0.300 1
307 33 33 ILE N N 115.951 0.300 1
308 34 34 SER H H 9.526 0.030 1
309 34 34 SER HA H 4.865 0.030 1
310 34 34 SER HB2 H 3.930 0.030 2
311 34 34 SER HB3 H 3.692 0.030 2
312 34 34 SER C C 173.250 0.300 1
313 34 34 SER CA C 57.282 0.300 1
314 34 34 SER CB C 67.337 0.300 1
315 34 34 SER N N 116.234 0.300 1
316 35 35 SER H H 8.817 0.030 1
317 35 35 SER HA H 5.606 0.030 1
318 35 35 SER HB2 H 4.041 0.030 2
319 35 35 SER HB3 H 3.910 0.030 2
320 35 35 SER C C 176.355 0.300 1
321 35 35 SER CA C 58.657 0.300 1
322 35 35 SER CB C 64.617 0.300 1
323 35 35 SER N N 119.935 0.300 1
324 36 36 GLY H H 9.771 0.030 1
325 36 36 GLY HA2 H 4.683 0.030 2
326 36 36 GLY HA3 H 4.210 0.030 2
327 36 36 GLY C C 172.095 0.300 1
328 36 36 GLY CA C 44.400 0.300 1
329 36 36 GLY N N 112.494 0.300 1
330 37 37 PRO HA H 4.696 0.030 1
331 37 37 PRO HB2 H 2.403 0.030 2
332 37 37 PRO HB3 H 2.192 0.030 2
333 37 37 PRO HD2 H 3.665 0.030 2
334 37 37 PRO HD3 H 3.445 0.030 2
335 37 37 PRO HG2 H 2.014 0.030 2
336 37 37 PRO HG3 H 1.442 0.030 2
337 37 37 PRO C C 176.934 0.300 1
338 37 37 PRO CA C 62.527 0.300 1
339 37 37 PRO CB C 32.631 0.300 1
340 37 37 PRO CD C 48.903 0.300 1
341 37 37 PRO CG C 26.477 0.300 1
342 38 38 ILE H H 8.414 0.030 1
343 38 38 ILE HA H 3.843 0.030 1
344 38 38 ILE HB H 1.842 0.030 1
345 38 38 ILE HD1 H 0.910 0.030 1
346 38 38 ILE HG12 H 1.505 0.030 2
347 38 38 ILE HG13 H 1.272 0.030 2
348 38 38 ILE HG2 H 0.969 0.030 1
349 38 38 ILE C C 177.275 0.300 1
350 38 38 ILE CA C 64.296 0.300 1
351 38 38 ILE CB C 38.215 0.300 1
352 38 38 ILE CD1 C 13.559 0.300 1
353 38 38 ILE CG1 C 28.190 0.300 1
354 38 38 ILE CG2 C 17.568 0.300 1
355 38 38 ILE N N 117.729 0.300 1
356 39 39 GLN H H 8.397 0.030 1
357 39 39 GLN HA H 4.257 0.030 1
358 39 39 GLN HB2 H 2.055 0.030 1
359 39 39 GLN HB3 H 2.055 0.030 1
360 39 39 GLN HE21 H 7.601 0.030 2
361 39 39 GLN HE22 H 6.886 0.030 2
362 39 39 GLN HG2 H 2.480 0.030 2
363 39 39 GLN HG3 H 2.351 0.030 2
364 39 39 GLN C C 176.219 0.300 1
365 39 39 GLN CA C 57.105 0.300 1
366 39 39 GLN CB C 27.648 0.300 1
367 39 39 GLN CG C 33.413 0.300 1
368 39 39 GLN N N 115.646 0.300 1
369 39 39 GLN NE2 N 111.591 0.300 1
370 40 40 LYS H H 7.787 0.030 1
371 40 40 LYS HA H 4.485 0.030 1
372 40 40 LYS HB2 H 1.702 0.030 2
373 40 40 LYS HB3 H 1.381 0.030 2
374 40 40 LYS HD2 H 1.608 0.030 2
375 40 40 LYS HD3 H 1.556 0.030 2
376 40 40 LYS HE2 H 2.956 0.030 2
377 40 40 LYS HE3 H 2.900 0.030 2
378 40 40 LYS HG2 H 1.452 0.030 2
379 40 40 LYS HG3 H 1.360 0.030 2
380 40 40 LYS C C 168.909 0.300 1
381 40 40 LYS CA C 54.443 0.300 1
382 40 40 LYS CB C 32.947 0.300 1
383 40 40 LYS CD C 29.153 0.300 1
384 40 40 LYS CE C 42.152 0.300 1
385 40 40 LYS CG C 25.250 0.300 1
386 40 40 LYS N N 123.632 0.300 1
387 41 41 PRO HA H 4.441 0.030 1
388 41 41 PRO HB2 H 2.191 0.030 2
389 41 41 PRO HB3 H 1.976 0.030 2
390 41 41 PRO HD2 H 3.548 0.030 2
391 41 41 PRO HD3 H 3.436 0.030 2
392 41 41 PRO HG2 H 1.980 0.030 1
393 41 41 PRO HG3 H 1.980 0.030 1
394 41 41 PRO C C 177.681 0.300 1
395 41 41 PRO CA C 62.874 0.300 1
396 41 41 PRO CB C 33.034 0.300 1
397 41 41 PRO CD C 49.311 0.300 1
398 41 41 PRO CG C 27.275 0.300 1
399 42 42 GLY H H 8.788 0.030 1
400 42 42 GLY HA2 H 4.285 0.030 2
401 42 42 GLY HA3 H 3.716 0.030 2
402 42 42 GLY C C 171.507 0.300 1
403 42 42 GLY CA C 43.915 0.300 1
404 42 42 GLY N N 107.218 0.300 1
405 43 43 ILE H H 8.543 0.030 1
406 43 43 ILE HA H 4.741 0.030 1
407 43 43 ILE HB H 2.300 0.030 1
408 43 43 ILE HD1 H 0.639 0.030 1
409 43 43 ILE HG12 H 1.787 0.030 2
410 43 43 ILE HG13 H 1.162 0.030 2
411 43 43 ILE HG2 H 0.890 0.030 1
412 43 43 ILE C C 174.202 0.300 1
413 43 43 ILE CA C 57.571 0.300 1
414 43 43 ILE CB C 36.565 0.300 1
415 43 43 ILE CD1 C 9.019 0.300 1
416 43 43 ILE CG1 C 25.691 0.300 1
417 43 43 ILE CG2 C 19.128 0.300 1
418 43 43 ILE N N 120.068 0.300 1
419 44 44 PHE H H 9.024 0.030 1
420 44 44 PHE HA H 5.412 0.030 1
421 44 44 PHE HB2 H 2.813 0.030 2
422 44 44 PHE HB3 H 2.721 0.030 2
423 44 44 PHE HD1 H 6.999 0.030 1
424 44 44 PHE HD2 H 6.999 0.030 1
425 44 44 PHE HE1 H 7.071 0.030 1
426 44 44 PHE HE2 H 7.071 0.030 1
427 44 44 PHE HZ H 6.981 0.030 1
428 44 44 PHE C C 175.505 0.300 1
429 44 44 PHE CA C 55.537 0.300 1
430 44 44 PHE CB C 43.737 0.300 1
431 44 44 PHE CD1 C 131.398 0.300 1
432 44 44 PHE CD2 C 131.398 0.300 1
433 44 44 PHE CE1 C 130.668 0.300 1
434 44 44 PHE CE2 C 130.668 0.300 1
435 44 44 PHE CZ C 130.991 0.300 1
436 44 44 PHE N N 123.505 0.300 1
437 45 45 ILE H H 9.011 0.030 1
438 45 45 ILE HA H 4.323 0.030 1
439 45 45 ILE HB H 2.093 0.030 1
440 45 45 ILE HD1 H 0.805 0.030 1
441 45 45 ILE HG12 H 1.600 0.030 2
442 45 45 ILE HG13 H 1.069 0.030 2
443 45 45 ILE HG2 H 0.640 0.030 1
444 45 45 ILE C C 175.183 0.300 1
445 45 45 ILE CA C 61.578 0.300 1
446 45 45 ILE CB C 36.796 0.300 1
447 45 45 ILE CD1 C 13.957 0.300 1
448 45 45 ILE CG1 C 27.964 0.300 1
449 45 45 ILE CG2 C 18.649 0.300 1
450 45 45 ILE N N 121.394 0.300 1
451 46 46 SER H H 8.957 0.030 1
452 46 46 SER HA H 3.715 0.030 1
453 46 46 SER HB2 H 3.163 0.030 2
454 46 46 SER HB3 H 3.754 0.030 2
455 46 46 SER C C 174.145 0.300 1
456 46 46 SER CA C 57.367 0.300 1
457 46 46 SER CB C 65.568 0.300 1
458 46 46 SER N N 123.206 0.300 1
459 47 47 HIS H H 7.270 0.030 1
460 47 47 HIS HA H 4.180 0.030 1
461 47 47 HIS HB2 H 3.236 0.030 2
462 47 47 HIS HB3 H 2.600 0.030 2
463 47 47 HIS HD2 H 6.923 0.030 1
464 47 47 HIS HE1 H 7.632 0.030 1
465 47 47 HIS C C 172.961 0.300 1
466 47 47 HIS CA C 59.035 0.300 1
467 47 47 HIS CB C 33.168 0.300 1
468 47 47 HIS CD2 C 119.919 0.300 1
469 47 47 HIS CE1 C 138.102 0.300 1
470 47 47 HIS N N 120.120 0.300 1
471 48 48 VAL H H 7.071 0.030 1
472 48 48 VAL HA H 4.145 0.030 1
473 48 48 VAL HB H 1.588 0.030 1
474 48 48 VAL HG1 H 0.590 0.030 1
475 48 48 VAL HG2 H 0.511 0.030 1
476 48 48 VAL C C 174.781 0.300 1
477 48 48 VAL CA C 61.720 0.300 1
478 48 48 VAL CB C 35.016 0.300 1
479 48 48 VAL CG1 C 20.483 0.300 2
480 48 48 VAL CG2 C 21.375 0.300 2
481 48 48 VAL N N 124.747 0.300 1
482 49 49 LYS H H 8.701 0.030 1
483 49 49 LYS HA H 4.432 0.030 1
484 49 49 LYS HB2 H 1.811 0.030 1
485 49 49 LYS HB3 H 1.811 0.030 1
486 49 49 LYS HD2 H 1.741 0.030 1
487 49 49 LYS HD3 H 1.741 0.030 1
488 49 49 LYS HE2 H 3.035 0.030 1
489 49 49 LYS HE3 H 3.035 0.030 1
490 49 49 LYS HG2 H 1.621 0.030 2
491 49 49 LYS HG3 H 1.570 0.030 2
492 49 49 LYS C C 174.786 0.300 1
493 49 49 LYS CA C 54.581 0.300 1
494 49 49 LYS CB C 33.003 0.300 1
495 49 49 LYS CD C 29.774 0.300 1
496 49 49 LYS CE C 42.143 0.300 1
497 49 49 LYS CG C 25.075 0.300 1
498 49 49 LYS N N 128.734 0.300 1
499 50 50 PRO HA H 4.328 0.030 1
500 50 50 PRO HB2 H 2.319 0.030 2
501 50 50 PRO HB3 H 1.897 0.030 2
502 50 50 PRO HD2 H 3.749 0.030 2
503 50 50 PRO HD3 H 4.123 0.030 2
504 50 50 PRO HG2 H 2.168 0.030 2
505 50 50 PRO HG3 H 2.041 0.030 2
506 50 50 PRO C C 178.106 0.300 1
507 50 50 PRO CA C 63.856 0.300 1
508 50 50 PRO CB C 31.600 0.300 1
509 50 50 PRO CD C 51.302 0.300 1
510 50 50 PRO CG C 27.822 0.300 1
511 51 51 GLY H H 9.034 0.030 1
512 51 51 GLY HA2 H 4.081 0.030 2
513 51 51 GLY HA3 H 3.824 0.030 2
514 51 51 GLY C C 173.723 0.300 1
515 51 51 GLY CA C 45.742 0.300 1
516 51 51 GLY N N 111.820 0.300 1
517 52 52 SER H H 7.538 0.030 1
518 52 52 SER HA H 4.524 0.030 1
519 52 52 SER HB2 H 4.489 0.030 2
520 52 52 SER HB3 H 3.899 0.030 2
521 52 52 SER C C 175.190 0.300 1
522 52 52 SER CA C 57.561 0.300 1
523 52 52 SER CB C 67.307 0.300 1
524 52 52 SER N N 113.696 0.300 1
525 53 53 LEU H H 8.884 0.030 1
526 53 53 LEU HA H 4.165 0.030 1
527 53 53 LEU HB2 H 1.762 0.030 2
528 53 53 LEU HB3 H 1.578 0.030 2
529 53 53 LEU HD1 H 0.949 0.030 1
530 53 53 LEU HD2 H 0.957 0.030 1
531 53 53 LEU HG H 1.664 0.030 1
532 53 53 LEU C C 179.274 0.300 1
533 53 53 LEU CA C 57.979 0.300 1
534 53 53 LEU CB C 42.160 0.300 1
535 53 53 LEU CD1 C 25.787 0.300 2
536 53 53 LEU CD2 C 24.100 0.300 2
537 53 53 LEU CG C 27.571 0.300 1
538 53 53 LEU N N 121.077 0.300 1
539 54 54 SER H H 7.919 0.030 1
540 54 54 SER HA H 3.907 0.030 1
541 54 54 SER HB2 H 3.750 0.030 2
542 54 54 SER HB3 H 3.522 0.030 2
543 54 54 SER C C 174.855 0.300 1
544 54 54 SER CA C 63.261 0.300 1
545 54 54 SER CB C 63.352 0.300 1
546 54 54 SER N N 111.774 0.300 1
547 55 55 ALA H H 7.395 0.030 1
548 55 55 ALA HA H 4.075 0.030 1
549 55 55 ALA HB H 1.476 0.030 1
550 55 55 ALA C C 181.594 0.300 1
551 55 55 ALA CA C 54.651 0.300 1
552 55 55 ALA CB C 18.096 0.300 1
553 55 55 ALA N N 124.600 0.300 1
554 56 56 GLU H H 8.207 0.030 1
555 56 56 GLU HA H 4.004 0.030 1
556 56 56 GLU HB2 H 2.260 0.030 2
557 56 56 GLU HB3 H 2.202 0.030 2
558 56 56 GLU HG2 H 2.400 0.030 2
559 56 56 GLU HG3 H 2.231 0.030 2
560 56 56 GLU C C 178.898 0.300 1
561 56 56 GLU CA C 59.495 0.300 1
562 56 56 GLU CB C 29.982 0.300 1
563 56 56 GLU CG C 36.540 0.300 1
564 56 56 GLU N N 120.184 0.300 1
565 57 57 VAL H H 7.521 0.030 1
566 57 57 VAL HA H 4.477 0.030 1
567 57 57 VAL HB H 2.486 0.030 1
568 57 57 VAL HG1 H 1.052 0.030 1
569 57 57 VAL HG2 H 0.974 0.030 1
570 57 57 VAL C C 176.309 0.300 1
571 57 57 VAL CA C 61.446 0.300 1
572 57 57 VAL CB C 31.314 0.300 1
573 57 57 VAL CG1 C 21.057 0.300 2
574 57 57 VAL CG2 C 19.703 0.300 2
575 57 57 VAL N N 108.766 0.300 1
576 58 58 GLY H H 7.620 0.030 1
577 58 58 GLY HA2 H 4.112 0.030 2
578 58 58 GLY HA3 H 3.752 0.030 2
579 58 58 GLY C C 175.539 0.300 1
580 58 58 GLY CA C 46.013 0.300 1
581 58 58 GLY N N 107.956 0.300 1
582 59 59 LEU H H 7.749 0.030 1
583 59 59 LEU HA H 4.211 0.030 1
584 59 59 LEU HB2 H 1.527 0.030 2
585 59 59 LEU HB3 H 1.120 0.030 2
586 59 59 LEU HD1 H 0.682 0.030 1
587 59 59 LEU HD2 H 0.755 0.030 1
588 59 59 LEU HG H 1.656 0.030 1
589 59 59 LEU C C 175.120 0.300 1
590 59 59 LEU CA C 55.757 0.300 1
591 59 59 LEU CB C 41.084 0.300 1
592 59 59 LEU CD1 C 24.492 0.300 2
593 59 59 LEU CD2 C 23.208 0.300 2
594 59 59 LEU CG C 26.690 0.300 1
595 59 59 LEU N N 120.243 0.300 1
596 60 60 GLU H H 8.518 0.030 1
597 60 60 GLU HA H 4.516 0.030 1
598 60 60 GLU HB2 H 1.901 0.030 2
599 60 60 GLU HB3 H 1.784 0.030 2
600 60 60 GLU HG2 H 2.290 0.030 2
601 60 60 GLU HG3 H 2.097 0.030 2
602 60 60 GLU C C 175.399 0.300 1
603 60 60 GLU CA C 54.434 0.300 1
604 60 60 GLU CB C 34.517 0.300 1
605 60 60 GLU CG C 36.578 0.300 1
606 60 60 GLU N N 119.738 0.300 1
607 61 61 ILE H H 8.368 0.030 1
608 61 61 ILE HA H 3.274 0.030 1
609 61 61 ILE HB H 1.522 0.030 1
610 61 61 ILE HD1 H 0.934 0.030 1
611 61 61 ILE HG12 H 1.508 0.030 2
612 61 61 ILE HG13 H 0.485 0.030 2
613 61 61 ILE HG2 H 0.642 0.030 1
614 61 61 ILE C C 177.966 0.300 1
615 61 61 ILE CA C 63.627 0.300 1
616 61 61 ILE CB C 38.010 0.300 1
617 61 61 ILE CD1 C 14.418 0.300 1
618 61 61 ILE CG1 C 28.576 0.300 1
619 61 61 ILE CG2 C 17.413 0.300 1
620 61 61 ILE N N 120.119 0.300 1
621 62 62 GLY H H 9.594 0.030 1
622 62 62 GLY HA2 H 4.282 0.030 2
623 62 62 GLY HA3 H 3.359 0.030 2
624 62 62 GLY C C 173.695 0.300 1
625 62 62 GLY CA C 44.509 0.300 1
626 62 62 GLY N N 115.902 0.300 1
627 63 63 ASP H H 8.300 0.030 1
628 63 63 ASP HA H 4.830 0.030 1
629 63 63 ASP HB2 H 2.894 0.030 2
630 63 63 ASP HB3 H 2.346 0.030 2
631 63 63 ASP C C 174.913 0.300 1
632 63 63 ASP CA C 56.217 0.300 1
633 63 63 ASP CB C 41.183 0.300 1
634 63 63 ASP N N 123.621 0.300 1
635 64 64 GLN H H 8.641 0.030 1
636 64 64 GLN HA H 4.682 0.030 1
637 64 64 GLN HB2 H 2.001 0.030 2
638 64 64 GLN HB3 H 1.927 0.030 2
639 64 64 GLN HE21 H 7.351 0.030 2
640 64 64 GLN HE22 H 6.459 0.030 2
641 64 64 GLN HG2 H 1.636 0.030 2
642 64 64 GLN HG3 H 1.378 0.030 2
643 64 64 GLN C C 176.215 0.300 1
644 64 64 GLN CA C 53.980 0.300 1
645 64 64 GLN CB C 31.313 0.300 1
646 64 64 GLN CG C 32.377 0.300 1
647 64 64 GLN N N 123.139 0.300 1
648 64 64 GLN NE2 N 107.468 0.300 1
649 65 65 ILE H H 8.598 0.030 1
650 65 65 ILE HA H 4.148 0.030 1
651 65 65 ILE HB H 1.502 0.030 1
652 65 65 ILE HD1 H 0.615 0.030 1
653 65 65 ILE HG12 H 1.452 0.030 2
654 65 65 ILE HG13 H 0.589 0.030 2
655 65 65 ILE HG2 H 0.197 0.030 1
656 65 65 ILE C C 175.298 0.300 1
657 65 65 ILE CA C 61.477 0.300 1
658 65 65 ILE CB C 38.389 0.300 1
659 65 65 ILE CD1 C 13.172 0.300 1
660 65 65 ILE CG1 C 26.746 0.300 1
661 65 65 ILE CG2 C 19.609 0.300 1
662 65 65 ILE N N 126.205 0.300 1
663 66 66 VAL H H 8.621 0.030 1
664 66 66 VAL HA H 4.360 0.030 1
665 66 66 VAL HB H 2.150 0.030 1
666 66 66 VAL HG1 H 0.781 0.030 1
667 66 66 VAL HG2 H 0.643 0.030 1
668 66 66 VAL C C 176.794 0.300 1
669 66 66 VAL CA C 62.566 0.300 1
670 66 66 VAL CB C 32.698 0.300 1
671 66 66 VAL CG1 C 22.047 0.300 2
672 66 66 VAL CG2 C 19.441 0.300 2
673 66 66 VAL N N 120.839 0.300 1
674 67 67 GLU H H 7.400 0.030 1
675 67 67 GLU HA H 5.043 0.030 1
676 67 67 GLU HB2 H 2.107 0.030 2
677 67 67 GLU HB3 H 1.728 0.030 2
678 67 67 GLU HG2 H 1.958 0.030 2
679 67 67 GLU HG3 H 1.819 0.030 2
680 67 67 GLU C C 174.039 0.300 1
681 67 67 GLU CA C 56.261 0.300 1
682 67 67 GLU CB C 33.788 0.300 1
683 67 67 GLU CG C 36.791 0.300 1
684 67 67 GLU N N 123.050 0.300 1
685 68 68 VAL H H 7.966 0.030 1
686 68 68 VAL HA H 4.678 0.030 1
687 68 68 VAL HB H 1.662 0.030 1
688 68 68 VAL HG1 H 0.088 0.030 1
689 68 68 VAL HG2 H 0.603 0.030 1
690 68 68 VAL C C 175.429 0.300 1
691 68 68 VAL CA C 61.084 0.300 1
692 68 68 VAL CB C 34.956 0.300 1
693 68 68 VAL CG1 C 23.272 0.300 2
694 68 68 VAL CG2 C 21.778 0.300 2
695 68 68 VAL N N 123.016 0.300 1
696 69 69 ASN H H 9.041 0.030 1
697 69 69 ASN HA H 4.475 0.030 1
698 69 69 ASN HB2 H 3.210 0.030 2
699 69 69 ASN HB3 H 2.866 0.030 2
700 69 69 ASN HD21 H 7.954 0.030 2
701 69 69 ASN HD22 H 7.381 0.030 2
702 69 69 ASN C C 175.162 0.300 1
703 69 69 ASN CA C 54.064 0.300 1
704 69 69 ASN CB C 35.987 0.300 1
705 69 69 ASN N N 125.113 0.300 1
706 69 69 ASN ND2 N 109.745 0.300 1
707 70 70 GLY H H 8.576 0.030 1
708 70 70 GLY HA2 H 4.103 0.030 2
709 70 70 GLY HA3 H 3.635 0.030 2
710 70 70 GLY C C 173.871 0.300 1
711 70 70 GLY CA C 45.528 0.300 1
712 70 70 GLY N N 103.277 0.300 1
713 71 71 VAL H H 8.371 0.030 1
714 71 71 VAL HA H 4.066 0.030 1
715 71 71 VAL HB H 2.567 0.030 1
716 71 71 VAL HG1 H 1.029 0.030 1
717 71 71 VAL HG2 H 1.021 0.030 1
718 71 71 VAL C C 175.240 0.300 1
719 71 71 VAL CA C 62.323 0.300 1
720 71 71 VAL CB C 32.465 0.300 1
721 71 71 VAL CG1 C 21.457 0.300 2
722 71 71 VAL CG2 C 21.131 0.300 2
723 71 71 VAL N N 123.772 0.300 1
724 72 72 ASP H H 8.653 0.030 1
725 72 72 ASP HA H 4.651 0.030 1
726 72 72 ASP HB2 H 2.872 0.030 1
727 72 72 ASP HB3 H 2.872 0.030 1
728 72 72 ASP C C 177.630 0.300 1
729 72 72 ASP CA C 54.939 0.300 1
730 72 72 ASP CB C 41.349 0.300 1
731 72 72 ASP N N 127.800 0.300 1
732 73 73 PHE H H 8.570 0.030 1
733 73 73 PHE HA H 4.617 0.030 1
734 73 73 PHE HB2 H 3.200 0.030 2
735 73 73 PHE HB3 H 2.707 0.030 2
736 73 73 PHE HD1 H 7.112 0.030 1
737 73 73 PHE HD2 H 7.112 0.030 1
738 73 73 PHE HE1 H 6.972 0.030 1
739 73 73 PHE HE2 H 6.972 0.030 1
740 73 73 PHE HZ H 7.042 0.030 1
741 73 73 PHE C C 177.728 0.300 1
742 73 73 PHE CA C 57.701 0.300 1
743 73 73 PHE CB C 39.055 0.300 1
744 73 73 PHE CD1 C 130.355 0.300 1
745 73 73 PHE CD2 C 130.355 0.300 1
746 73 73 PHE CE1 C 130.422 0.300 1
747 73 73 PHE CE2 C 130.422 0.300 1
748 73 73 PHE CZ C 129.282 0.300 1
749 73 73 PHE N N 130.045 0.300 1
750 74 74 SER H H 9.104 0.030 1
751 74 74 SER HA H 4.131 0.030 1
752 74 74 SER HB2 H 3.928 0.030 2
753 74 74 SER HB3 H 3.890 0.030 2
754 74 74 SER C C 174.637 0.300 1
755 74 74 SER CA C 62.773 0.300 1
756 74 74 SER CB C 62.797 0.300 1
757 74 74 SER N N 119.140 0.300 1
758 75 75 ASN H H 8.140 0.030 1
759 75 75 ASN HA H 4.905 0.030 1
760 75 75 ASN HB2 H 2.842 0.030 2
761 75 75 ASN HB3 H 2.549 0.030 2
762 75 75 ASN HD21 H 7.551 0.030 2
763 75 75 ASN HD22 H 6.800 0.030 2
764 75 75 ASN C C 174.228 0.300 1
765 75 75 ASN CA C 52.408 0.300 1
766 75 75 ASN CB C 39.411 0.300 1
767 75 75 ASN N N 117.463 0.300 1
768 75 75 ASN ND2 N 112.667 0.300 1
769 76 76 LEU H H 6.827 0.030 1
770 76 76 LEU HA H 4.347 0.030 1
771 76 76 LEU HB2 H 1.300 0.030 2
772 76 76 LEU HB3 H 1.246 0.030 2
773 76 76 LEU HD1 H 0.278 0.030 1
774 76 76 LEU HD2 H 0.431 0.030 1
775 76 76 LEU HG H 1.587 0.030 1
776 76 76 LEU C C 175.948 0.300 1
777 76 76 LEU CA C 54.240 0.300 1
778 76 76 LEU CB C 44.119 0.300 1
779 76 76 LEU CD1 C 24.148 0.300 2
780 76 76 LEU CD2 C 24.354 0.300 2
781 76 76 LEU CG C 26.316 0.300 1
782 76 76 LEU N N 120.726 0.300 1
783 77 77 ASP H H 8.314 0.030 1
784 77 77 ASP HA H 4.576 0.030 1
785 77 77 ASP HB2 H 2.895 0.030 2
786 77 77 ASP HB3 H 2.636 0.030 2
787 77 77 ASP C C 176.232 0.300 1
788 77 77 ASP CA C 53.261 0.300 1
789 77 77 ASP CB C 42.361 0.300 1
790 77 77 ASP N N 121.738 0.300 1
791 78 78 HIS H H 8.536 0.030 1
792 78 78 HIS HA H 3.782 0.030 1
793 78 78 HIS HB2 H 3.252 0.030 2
794 78 78 HIS HB3 H 3.027 0.030 2
795 78 78 HIS HD2 H 6.722 0.030 1
796 78 78 HIS HE1 H 7.726 0.030 1
797 78 78 HIS C C 176.099 0.300 1
798 78 78 HIS CA C 61.544 0.300 1
799 78 78 HIS CB C 31.355 0.300 1
800 78 78 HIS CD2 C 117.511 0.300 1
801 78 78 HIS CE1 C 138.352 0.300 1
802 78 78 HIS N N 121.374 0.300 1
803 79 79 LYS H H 8.069 0.030 1
804 79 79 LYS HA H 3.814 0.030 1
805 79 79 LYS HB2 H 1.888 0.030 2
806 79 79 LYS HB3 H 1.794 0.030 2
807 79 79 LYS HD2 H 1.695 0.030 1
808 79 79 LYS HD3 H 1.695 0.030 1
809 79 79 LYS HE2 H 3.017 0.030 1
810 79 79 LYS HE3 H 3.017 0.030 1
811 79 79 LYS HG2 H 1.411 0.030 2
812 79 79 LYS HG3 H 1.357 0.030 2
813 79 79 LYS C C 179.308 0.300 1
814 79 79 LYS CA C 59.601 0.300 1
815 79 79 LYS CB C 31.854 0.300 1
816 79 79 LYS CD C 29.251 0.300 1
817 79 79 LYS CE C 41.945 0.300 1
818 79 79 LYS CG C 24.842 0.300 1
819 79 79 LYS N N 116.885 0.300 1
820 80 80 GLU H H 7.687 0.030 1
821 80 80 GLU HA H 4.127 0.030 1
822 80 80 GLU HB2 H 2.040 0.030 2
823 80 80 GLU HB3 H 1.865 0.030 2
824 80 80 GLU HG2 H 2.345 0.030 2
825 80 80 GLU HG3 H 2.266 0.030 2
826 80 80 GLU C C 178.582 0.300 1
827 80 80 GLU CA C 58.281 0.300 1
828 80 80 GLU CB C 29.697 0.300 1
829 80 80 GLU CG C 36.343 0.300 1
830 80 80 GLU N N 118.994 0.300 1
831 81 81 ALA H H 8.013 0.030 1
832 81 81 ALA HA H 3.383 0.030 1
833 81 81 ALA HB H 0.910 0.030 1
834 81 81 ALA C C 179.135 0.300 1
835 81 81 ALA CA C 55.061 0.300 1
836 81 81 ALA CB C 18.789 0.300 1
837 81 81 ALA N N 122.630 0.300 1
838 82 82 VAL H H 8.092 0.030 1
839 82 82 VAL HA H 3.387 0.030 1
840 82 82 VAL HB H 1.989 0.030 1
841 82 82 VAL HG1 H 0.804 0.030 1
842 82 82 VAL HG2 H 0.893 0.030 1
843 82 82 VAL C C 178.232 0.300 1
844 82 82 VAL CA C 66.750 0.300 1
845 82 82 VAL CB C 31.656 0.300 1
846 82 82 VAL CG1 C 23.130 0.300 2
847 82 82 VAL CG2 C 21.439 0.300 2
848 82 82 VAL N N 116.911 0.300 1
849 83 83 ASN H H 7.462 0.030 1
850 83 83 ASN HA H 4.395 0.030 1
851 83 83 ASN HB2 H 2.917 0.030 2
852 83 83 ASN HB3 H 2.848 0.030 2
853 83 83 ASN HD21 H 7.672 0.030 2
854 83 83 ASN HD22 H 6.783 0.030 2
855 83 83 ASN C C 178.939 0.300 1
856 83 83 ASN CA C 56.243 0.300 1
857 83 83 ASN CB C 37.980 0.300 1
858 83 83 ASN N N 117.315 0.300 1
859 83 83 ASN ND2 N 112.373 0.300 1
860 84 84 VAL H H 8.279 0.030 1
861 84 84 VAL HA H 3.681 0.030 1
862 84 84 VAL HB H 2.320 0.030 1
863 84 84 VAL HG1 H 1.151 0.030 1
864 84 84 VAL HG2 H 1.036 0.030 1
865 84 84 VAL C C 179.695 0.300 1
866 84 84 VAL CA C 66.867 0.300 1
867 84 84 VAL CB C 31.775 0.300 1
868 84 84 VAL CG1 C 22.942 0.300 2
869 84 84 VAL CG2 C 21.197 0.300 2
870 84 84 VAL N N 121.952 0.300 1
871 85 85 LEU H H 7.913 0.030 1
872 85 85 LEU HA H 3.995 0.030 1
873 85 85 LEU HB2 H 1.980 0.030 2
874 85 85 LEU HB3 H 1.483 0.030 2
875 85 85 LEU HD1 H 0.794 0.030 1
876 85 85 LEU HD2 H 0.748 0.030 1
877 85 85 LEU HG H 1.908 0.030 1
878 85 85 LEU C C 177.214 0.300 1
879 85 85 LEU CA C 57.924 0.300 1
880 85 85 LEU CB C 41.725 0.300 1
881 85 85 LEU CD1 C 25.720 0.300 2
882 85 85 LEU CD2 C 23.871 0.300 2
883 85 85 LEU CG C 27.350 0.300 1
884 85 85 LEU N N 119.382 0.300 1
885 86 86 LYS H H 7.681 0.030 1
886 86 86 LYS HA H 4.472 0.030 1
887 86 86 LYS HB2 H 1.949 0.030 2
888 86 86 LYS HB3 H 1.889 0.030 2
889 86 86 LYS HD2 H 1.668 0.030 1
890 86 86 LYS HD3 H 1.668 0.030 1
891 86 86 LYS HE2 H 2.982 0.030 1
892 86 86 LYS HE3 H 2.982 0.030 1
893 86 86 LYS HG2 H 1.562 0.030 1
894 86 86 LYS HG3 H 1.562 0.030 1
895 86 86 LYS C C 178.077 0.300 1
896 86 86 LYS CA C 56.784 0.300 1
897 86 86 LYS CB C 33.102 0.300 1
898 86 86 LYS CD C 29.583 0.300 1
899 86 86 LYS CE C 42.137 0.300 1
900 86 86 LYS CG C 24.960 0.300 1
901 86 86 LYS N N 114.150 0.300 1
902 87 87 SER H H 7.647 0.030 1
903 87 87 SER HA H 4.389 0.030 1
904 87 87 SER HB2 H 4.114 0.030 2
905 87 87 SER HB3 H 4.056 0.030 2
906 87 87 SER C C 173.964 0.300 1
907 87 87 SER CA C 60.284 0.300 1
908 87 87 SER CB C 64.471 0.300 1
909 87 87 SER N N 113.720 0.300 1
910 88 88 SER H H 7.208 0.030 1
911 88 88 SER HA H 4.711 0.030 1
912 88 88 SER HB2 H 3.791 0.030 2
913 88 88 SER HB3 H 3.531 0.030 2
914 88 88 SER C C 173.355 0.300 1
915 88 88 SER CA C 57.508 0.300 1
916 88 88 SER CB C 64.839 0.300 1
917 88 88 SER N N 114.434 0.300 1
918 89 89 ARG H H 8.652 0.030 1
919 89 89 ARG HA H 4.365 0.030 1
920 89 89 ARG HB2 H 2.118 0.030 2
921 89 89 ARG HB3 H 1.807 0.030 2
922 89 89 ARG HD2 H 3.221 0.030 1
923 89 89 ARG HD3 H 3.221 0.030 1
924 89 89 ARG HG2 H 1.785 0.030 2
925 89 89 ARG HG3 H 1.687 0.030 2
926 89 89 ARG C C 175.148 0.300 1
927 89 89 ARG CA C 56.867 0.300 1
928 89 89 ARG CB C 30.385 0.300 1
929 89 89 ARG CD C 43.213 0.300 1
930 89 89 ARG CG C 27.571 0.300 1
931 90 90 SER H H 7.921 0.030 1
932 90 90 SER HA H 4.878 0.030 1
933 90 90 SER HB2 H 3.889 0.030 2
934 90 90 SER HB3 H 3.774 0.030 2
935 90 90 SER C C 173.267 0.300 1
936 90 90 SER CA C 56.993 0.300 1
937 90 90 SER CB C 64.690 0.300 1
938 90 90 SER N N 113.739 0.300 1
939 91 91 LEU H H 8.908 0.030 1
940 91 91 LEU HA H 4.887 0.030 1
941 91 91 LEU HB2 H 1.641 0.030 2
942 91 91 LEU HB3 H 1.017 0.030 2
943 91 91 LEU HD1 H 0.879 0.030 1
944 91 91 LEU HD2 H 0.807 0.030 1
945 91 91 LEU HG H 1.391 0.030 1
946 91 91 LEU C C 174.626 0.300 1
947 91 91 LEU CA C 54.035 0.300 1
948 91 91 LEU CB C 46.136 0.300 1
949 91 91 LEU CD1 C 27.395 0.300 2
950 91 91 LEU CD2 C 24.642 0.300 2
951 91 91 LEU CG C 26.622 0.300 1
952 91 91 LEU N N 124.683 0.300 1
953 92 92 THR H H 8.952 0.030 1
954 92 92 THR HA H 4.860 0.030 1
955 92 92 THR HB H 4.162 0.030 1
956 92 92 THR HG2 H 1.114 0.030 1
957 92 92 THR C C 174.553 0.300 1
958 92 92 THR CA C 62.276 0.300 1
959 92 92 THR CB C 68.935 0.300 1
960 92 92 THR CG2 C 21.431 0.300 1
961 92 92 THR N N 121.435 0.300 1
962 93 93 ILE H H 9.180 0.030 1
963 93 93 ILE HA H 4.531 0.030 1
964 93 93 ILE HB H 1.655 0.030 1
965 93 93 ILE HD1 H 0.574 0.030 1
966 93 93 ILE HG12 H 1.428 0.030 2
967 93 93 ILE HG13 H 0.685 0.030 2
968 93 93 ILE HG2 H 0.678 0.030 1
969 93 93 ILE C C 174.524 0.300 1
970 93 93 ILE CA C 60.522 0.300 1
971 93 93 ILE CB C 40.750 0.300 1
972 93 93 ILE CD1 C 13.177 0.300 1
973 93 93 ILE CG1 C 27.341 0.300 1
974 93 93 ILE CG2 C 18.171 0.300 1
975 93 93 ILE N N 128.410 0.300 1
976 94 94 SER H H 8.955 0.030 1
977 94 94 SER HA H 5.298 0.030 1
978 94 94 SER HB2 H 3.742 0.030 2
979 94 94 SER HB3 H 3.660 0.030 2
980 94 94 SER C C 174.111 0.300 1
981 94 94 SER CA C 57.614 0.300 1
982 94 94 SER CB C 63.814 0.300 1
983 94 94 SER N N 123.348 0.300 1
984 95 95 ILE H H 9.232 0.030 1
985 95 95 ILE HA H 5.565 0.030 1
986 95 95 ILE HB H 1.672 0.030 1
987 95 95 ILE HD1 H 0.675 0.030 1
988 95 95 ILE HG12 H 1.317 0.030 2
989 95 95 ILE HG13 H 1.000 0.030 2
990 95 95 ILE HG2 H 0.730 0.030 1
991 95 95 ILE C C 176.228 0.300 1
992 95 95 ILE CA C 57.907 0.300 1
993 95 95 ILE CB C 43.001 0.300 1
994 95 95 ILE CD1 C 14.498 0.300 1
995 95 95 ILE CG1 C 26.690 0.300 1
996 95 95 ILE CG2 C 18.291 0.300 1
997 95 95 ILE N N 122.645 0.300 1
998 96 96 VAL H H 8.895 0.030 1
999 96 96 VAL HA H 4.292 0.030 1
1000 96 96 VAL HB H 1.970 0.030 1
1001 96 96 VAL HG1 H 0.949 0.030 1
1002 96 96 VAL HG2 H 0.854 0.030 1
1003 96 96 VAL C C 176.632 0.300 1
1004 96 96 VAL CA C 62.671 0.300 1
1005 96 96 VAL CB C 32.204 0.300 1
1006 96 96 VAL CG1 C 22.143 0.300 2
1007 96 96 VAL CG2 C 21.182 0.300 2
1008 96 96 VAL N N 123.051 0.300 1
1009 97 97 ALA H H 9.032 0.030 1
1010 97 97 ALA HA H 4.150 0.030 1
1011 97 97 ALA HB H 1.367 0.030 1
1012 97 97 ALA C C 178.114 0.300 1
1013 97 97 ALA CA C 53.193 0.300 1
1014 97 97 ALA CB C 18.323 0.300 1
1015 97 97 ALA N N 132.454 0.300 1
1016 98 98 ALA H H 9.736 0.030 1
1017 98 98 ALA HA H 4.175 0.030 1
1018 98 98 ALA HB H 1.492 0.030 1
1019 98 98 ALA C C 178.054 0.300 1
1020 98 98 ALA CA C 53.740 0.300 1
1021 98 98 ALA CB C 17.605 0.300 1
1022 98 98 ALA N N 120.395 0.300 1
1023 99 99 ALA H H 7.264 0.030 1
1024 99 99 ALA HA H 4.281 0.030 1
1025 99 99 ALA HB H 1.695 0.030 1
1026 99 99 ALA C C 178.469 0.300 1
1027 99 99 ALA CA C 55.234 0.300 1
1028 99 99 ALA CB C 20.380 0.300 1
1029 99 99 ALA N N 122.659 0.300 1
1030 100 100 GLY H H 9.356 0.030 1
1031 100 100 GLY HA2 H 4.381 0.030 2
1032 100 100 GLY HA3 H 3.162 0.030 2
1033 100 100 GLY C C 175.344 0.300 1
1034 100 100 GLY CA C 45.461 0.300 1
1035 100 100 GLY N N 103.893 0.300 1
1036 101 101 ARG H H 7.611 0.030 1
1037 101 101 ARG HA H 3.859 0.030 1
1038 101 101 ARG HB2 H 1.938 0.030 2
1039 101 101 ARG HB3 H 1.894 0.030 2
1040 101 101 ARG HD2 H 3.264 0.030 1
1041 101 101 ARG HD3 H 3.264 0.030 1
1042 101 101 ARG HG2 H 1.783 0.030 2
1043 101 101 ARG HG3 H 1.700 0.030 2
1044 101 101 ARG C C 177.452 0.300 1
1045 101 101 ARG CA C 60.688 0.300 1
1046 101 101 ARG CB C 30.505 0.300 1
1047 101 101 ARG CD C 43.611 0.300 1
1048 101 101 ARG CG C 27.777 0.300 1
1049 101 101 ARG N N 120.443 0.300 1
1050 102 102 GLU H H 9.356 0.030 1
1051 102 102 GLU HA H 4.183 0.030 1
1052 102 102 GLU HB2 H 1.968 0.030 1
1053 102 102 GLU HB3 H 1.968 0.030 1
1054 102 102 GLU HG2 H 2.231 0.030 2
1055 102 102 GLU HG3 H 2.036 0.030 2
1056 102 102 GLU C C 177.040 0.300 1
1057 102 102 GLU CA C 57.981 0.300 1
1058 102 102 GLU CB C 28.319 0.300 1
1059 102 102 GLU CG C 35.964 0.300 1
1060 102 102 GLU N N 117.095 0.300 1
1061 103 103 LEU H H 7.323 0.030 1
1062 103 103 LEU HA H 3.764 0.030 1
1063 103 103 LEU HB2 H 0.953 0.030 2
1064 103 103 LEU HB3 H 0.427 0.030 2
1065 103 103 LEU HD1 H 0.090 0.030 1
1066 103 103 LEU HD2 H 0.474 0.030 1
1067 103 103 LEU HG H 1.004 0.030 1
1068 103 103 LEU C C 177.255 0.300 1
1069 103 103 LEU CA C 55.481 0.300 1
1070 103 103 LEU CB C 40.741 0.300 1
1071 103 103 LEU CD1 C 24.492 0.300 2
1072 103 103 LEU CD2 C 22.023 0.300 2
1073 103 103 LEU CG C 26.512 0.300 1
1074 103 103 LEU N N 118.228 0.300 1
1075 104 104 PHE H H 7.102 0.030 1
1076 104 104 PHE HA H 4.724 0.030 1
1077 104 104 PHE HB2 H 3.421 0.030 2
1078 104 104 PHE HB3 H 2.459 0.030 2
1079 104 104 PHE HD1 H 7.126 0.030 1
1080 104 104 PHE HD2 H 7.126 0.030 1
1081 104 104 PHE HE1 H 6.979 0.030 1
1082 104 104 PHE HE2 H 6.979 0.030 1
1083 104 104 PHE HZ H 6.874 0.030 1
1084 104 104 PHE C C 175.098 0.300 1
1085 104 104 PHE CA C 57.177 0.300 1
1086 104 104 PHE CB C 40.906 0.300 1
1087 104 104 PHE CD1 C 132.200 0.300 1
1088 104 104 PHE CD2 C 132.200 0.300 1
1089 104 104 PHE CE1 C 130.800 0.300 1
1090 104 104 PHE CE2 C 130.800 0.300 1
1091 104 104 PHE CZ C 128.433 0.300 1
1092 104 104 PHE N N 114.910 0.300 1
1093 105 105 MET H H 7.798 0.030 1
1094 105 105 MET HA H 4.624 0.030 1
1095 105 105 MET HB2 H 2.141 0.030 2
1096 105 105 MET HB3 H 1.972 0.030 2
1097 105 105 MET HE H 2.075 0.030 1
1098 105 105 MET HG2 H 2.583 0.030 2
1099 105 105 MET HG3 H 2.553 0.030 2
1100 105 105 MET C C 176.118 0.300 1
1101 105 105 MET CA C 55.439 0.300 1
1102 105 105 MET CB C 33.160 0.300 1
1103 105 105 MET CE C 17.110 0.300 1
1104 105 105 MET CG C 32.008 0.300 1
1105 105 105 MET N N 119.723 0.300 1
1106 106 106 THR H H 8.192 0.030 1
1107 106 106 THR HA H 4.357 0.030 1
1108 106 106 THR HB H 4.228 0.030 1
1109 106 106 THR HG2 H 1.177 0.030 1
1110 106 106 THR C C 174.250 0.300 1
1111 106 106 THR CA C 61.886 0.300 1
1112 106 106 THR CB C 69.922 0.300 1
1113 106 106 THR CG2 C 21.532 0.300 1
1114 106 106 THR N N 114.763 0.300 1
1115 107 107 ASP H H 8.427 0.030 1
1116 107 107 ASP HA H 4.602 0.030 1
1117 107 107 ASP HB2 H 2.715 0.030 2
1118 107 107 ASP HB3 H 2.667 0.030 2
1119 107 107 ASP C C 176.273 0.300 1
1120 107 107 ASP CA C 54.444 0.300 1
1121 107 107 ASP CB C 41.088 0.300 1
1122 107 107 ASP N N 122.608 0.300 1
1123 108 108 ARG H H 8.332 0.030 1
1124 108 108 ARG HA H 4.408 0.030 1
1125 108 108 ARG HB2 H 1.923 0.030 2
1126 108 108 ARG HB3 H 1.747 0.030 2
1127 108 108 ARG HD2 H 3.195 0.030 1
1128 108 108 ARG HD3 H 3.195 0.030 1
1129 108 108 ARG HG2 H 1.644 0.030 2
1130 108 108 ARG HG3 H 1.608 0.030 2
1131 108 108 ARG C C 176.314 0.300 1
1132 108 108 ARG CA C 55.943 0.300 1
1133 108 108 ARG CB C 30.591 0.300 1
1134 108 108 ARG CD C 43.365 0.300 1
1135 108 108 ARG CG C 27.058 0.300 1
1136 108 108 ARG N N 121.757 0.300 1
1137 109 109 SER H H 8.361 0.030 1
1138 109 109 SER HA H 4.461 0.030 1
1139 109 109 SER HB2 H 3.883 0.030 1
1140 109 109 SER HB3 H 3.883 0.030 1
1141 109 109 SER C C 174.596 0.300 1
1142 109 109 SER CA C 58.712 0.300 1
1143 109 109 SER CB C 64.035 0.300 1
1144 109 109 SER N N 116.854 0.300 1
1145 110 110 GLY H H 8.234 0.030 1
1146 110 110 GLY HA2 H 4.154 0.030 2
1147 110 110 GLY HA3 H 4.074 0.030 2
1148 110 110 GLY C C 171.824 0.300 1
1149 110 110 GLY CA C 44.700 0.300 1
1150 110 110 GLY N N 110.638 0.300 1
1151 111 111 PRO HA H 4.446 0.030 1
1152 111 111 PRO HB2 H 2.285 0.030 2
1153 111 111 PRO HB3 H 1.968 0.030 2
1154 111 111 PRO HD2 H 3.614 0.030 1
1155 111 111 PRO HD3 H 3.614 0.030 1
1156 111 111 PRO HG2 H 2.009 0.030 1
1157 111 111 PRO HG3 H 2.009 0.030 1
1158 111 111 PRO C C 177.414 0.300 1
1159 111 111 PRO CA C 63.250 0.300 1
1160 111 111 PRO CB C 32.215 0.300 1
1161 111 111 PRO CD C 49.841 0.300 1
1162 111 111 PRO CG C 27.218 0.300 1
1163 112 112 SER H H 8.515 0.030 1
1164 112 112 SER HA H 4.499 0.030 1
1165 112 112 SER HB2 H 3.920 0.030 1
1166 112 112 SER HB3 H 3.920 0.030 1
1167 112 112 SER C C 174.673 0.300 1
1168 112 112 SER CA C 58.398 0.300 1
1169 112 112 SER CB C 63.826 0.300 1
1170 112 112 SER N N 116.383 0.300 1
1171 113 113 SER H H 8.319 0.030 1
1172 113 113 SER HA H 4.482 0.030 1
1173 113 113 SER HB2 H 3.912 0.030 1
1174 113 113 SER HB3 H 3.912 0.030 1
1175 113 113 SER C C 173.923 0.300 1
1176 113 113 SER CA C 58.539 0.300 1
1177 113 113 SER CB C 64.093 0.300 1
1178 113 113 SER N N 117.795 0.300 1
1179 114 114 GLY H H 8.040 0.030 1
1180 114 114 GLY HA2 H 3.770 0.030 1
1181 114 114 GLY HA3 H 3.770 0.030 1
1182 114 114 GLY C C 178.969 0.300 1
1183 114 114 GLY CA C 46.242 0.300 1
1184 114 114 GLY N N 116.841 0.300 1
stop_
save_