data_10064
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution Structure of The forth PDZ Domain of Human Atrophin-1 Interacting
Protein 1 (KIAA0705 Protein)
;
_BMRB_accession_number 10064
_BMRB_flat_file_name bmr10064.str
_Entry_type original
_Submission_date 2006-12-25
_Accession_date 2006-12-26
_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 Tomizawa T. . .
2 Kigawa T. . .
3 Koshiba S. . .
4 Inoue M. . .
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" 619
"13C chemical shifts" 467
"15N chemical shifts" 109
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2008-08-14 original author .
stop_
_Original_release_date 2008-08-14
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution Structure of The forth PDZ Domain of Human Atrophin-1 Interacting
Protein 1 (KIAA0705 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 Tomizawa T. . .
2 Kigawa T. . .
3 Koshiba S. . .
4 Inoue M. . .
5 Yokoyama S. . .
stop_
_Journal_abbreviation .
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'MEMBRANE ASSOCIATED GUANYLATE KINASE INVERTED-2 (MAGI-2)'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'MEMBRANE ASSOCIATED GUANYLATE KINASE INVERTED-2 (MAGI-2)' $entity_1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state 'protein monomer'
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'PDZ Domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 114
_Mol_residue_sequence
;
GSSGSSGSLQTSDVVIHRKE
NEGFGFVIISSLNRPESGST
ITVPHKIGRIIDGSPADRCA
KLKVGDRILAVNGQSIINMP
HADIVKLIKDAGLSVTLRII
PQEELNSPSGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 SER 9 LEU 10 GLN
11 THR 12 SER 13 ASP 14 VAL 15 VAL
16 ILE 17 HIS 18 ARG 19 LYS 20 GLU
21 ASN 22 GLU 23 GLY 24 PHE 25 GLY
26 PHE 27 VAL 28 ILE 29 ILE 30 SER
31 SER 32 LEU 33 ASN 34 ARG 35 PRO
36 GLU 37 SER 38 GLY 39 SER 40 THR
41 ILE 42 THR 43 VAL 44 PRO 45 HIS
46 LYS 47 ILE 48 GLY 49 ARG 50 ILE
51 ILE 52 ASP 53 GLY 54 SER 55 PRO
56 ALA 57 ASP 58 ARG 59 CYS 60 ALA
61 LYS 62 LEU 63 LYS 64 VAL 65 GLY
66 ASP 67 ARG 68 ILE 69 LEU 70 ALA
71 VAL 72 ASN 73 GLY 74 GLN 75 SER
76 ILE 77 ILE 78 ASN 79 MET 80 PRO
81 HIS 82 ALA 83 ASP 84 ILE 85 VAL
86 LYS 87 LEU 88 ILE 89 LYS 90 ASP
91 ALA 92 GLY 93 LEU 94 SER 95 VAL
96 THR 97 LEU 98 ARG 99 ILE 100 ILE
101 PRO 102 GLN 103 GLU 104 GLU 105 LEU
106 ASN 107 SER 108 PRO 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 1UEW "Solution Structure Of The Forth Pdz Domain Of Human Atrophin-1 Interacting Protein 1 (Kiaa0705 Protein)" 100.00 114 100.00 100.00 8.25e-73
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$entity_1 'cell free synthesis' . . . . plasmid P021030-32
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.4 mM '[U-13C; U-15N]'
Tris-HCl(7.0) 20 mM .
NaCl 100 mM .
d-DTT 1 mM .
NaN3 0.02 % .
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name xwinnmr
_Version 2.6
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name NMRPipe
_Version 20020425
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_software_3
_Saveframe_category software
_Name NMRView
_Version 5.0.4
loop_
_Vendor
_Address
_Electronic_address
'Johnson, B.A.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_4
_Saveframe_category software
_Name Kujira
_Version 0.820
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_5
_Saveframe_category software
_Name CYANA
_Version 1.0.7
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_software_6
_Saveframe_category software
_Name OPALp
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Billeter, M.' . .
'Guntert, P.' . .
'Koradi, R.' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 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' 120 0.1 mM
pH 7.0 0.05 pH
pressure 1 0.001 atm
temperature 298 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Saveframe_category chemical_shift_reference
_Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D 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 'MEMBRANE ASSOCIATED GUANYLATE KINASE INVERTED-2 (MAGI-2)'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 7 7 GLY H H 8.179 0.030 1
2 7 7 GLY HA2 H 4.116 0.030 1
3 7 7 GLY HA3 H 4.116 0.030 1
4 7 7 GLY CA C 44.677 0.300 1
5 7 7 GLY N N 110.640 0.300 1
6 8 8 SER HA H 4.481 0.030 1
7 8 8 SER HB2 H 3.864 0.030 1
8 8 8 SER HB3 H 3.864 0.030 1
9 8 8 SER C C 174.323 0.300 1
10 8 8 SER CA C 58.155 0.300 1
11 8 8 SER CB C 63.878 0.300 1
12 9 9 LEU H H 8.232 0.030 1
13 9 9 LEU HA H 4.398 0.030 1
14 9 9 LEU HB2 H 1.525 0.030 1
15 9 9 LEU HB3 H 1.525 0.030 1
16 9 9 LEU HG H 1.630 0.030 1
17 9 9 LEU HD1 H 0.917 0.030 1
18 9 9 LEU HD2 H 0.862 0.030 1
19 9 9 LEU C C 176.839 0.300 1
20 9 9 LEU CA C 55.026 0.300 1
21 9 9 LEU CB C 42.620 0.300 1
22 9 9 LEU CG C 27.006 0.300 1
23 9 9 LEU CD1 C 25.217 0.300 2
24 9 9 LEU CD2 C 23.814 0.300 2
25 9 9 LEU N N 123.770 0.300 1
26 10 10 GLN H H 8.510 0.030 1
27 10 10 GLN HA H 4.428 0.030 1
28 10 10 GLN HB2 H 1.988 0.030 2
29 10 10 GLN HB3 H 2.112 0.030 2
30 10 10 GLN HG2 H 2.379 0.030 1
31 10 10 GLN HG3 H 2.379 0.030 1
32 10 10 GLN HE21 H 6.869 0.030 2
33 10 10 GLN HE22 H 7.565 0.030 2
34 10 10 GLN C C 175.484 0.300 1
35 10 10 GLN CA C 55.703 0.300 1
36 10 10 GLN CB C 29.482 0.300 1
37 10 10 GLN CG C 34.001 0.300 1
38 10 10 GLN N N 122.944 0.300 1
39 10 10 GLN NE2 N 112.905 0.300 1
40 11 11 THR H H 7.850 0.030 1
41 11 11 THR HA H 5.023 0.030 1
42 11 11 THR HB H 4.116 0.030 1
43 11 11 THR HG2 H 1.033 0.030 1
44 11 11 THR C C 174.637 0.300 1
45 11 11 THR CA C 60.397 0.300 1
46 11 11 THR CB C 71.541 0.300 1
47 11 11 THR CG2 C 21.876 0.300 1
48 11 11 THR N N 112.581 0.300 1
49 12 12 SER H H 8.741 0.030 1
50 12 12 SER HA H 4.729 0.030 1
51 12 12 SER HB2 H 3.571 0.030 2
52 12 12 SER HB3 H 3.682 0.030 2
53 12 12 SER C C 172.144 0.300 1
54 12 12 SER CA C 57.594 0.300 1
55 12 12 SER CB C 65.877 0.300 1
56 12 12 SER N N 115.276 0.300 1
57 13 13 ASP H H 8.456 0.030 1
58 13 13 ASP HA H 5.615 0.030 1
59 13 13 ASP HB2 H 2.531 0.030 2
60 13 13 ASP HB3 H 2.128 0.030 2
61 13 13 ASP C C 176.059 0.300 1
62 13 13 ASP CA C 53.377 0.300 1
63 13 13 ASP CB C 41.629 0.300 1
64 13 13 ASP N N 124.045 0.300 1
65 14 14 VAL H H 9.315 0.030 1
66 14 14 VAL HA H 4.178 0.030 1
67 14 14 VAL HB H 1.834 0.030 1
68 14 14 VAL HG1 H 0.787 0.030 1
69 14 14 VAL HG2 H 0.829 0.030 1
70 14 14 VAL C C 173.697 0.300 1
71 14 14 VAL CA C 61.627 0.300 1
72 14 14 VAL CB C 34.824 0.300 1
73 14 14 VAL CG1 C 21.864 0.300 2
74 14 14 VAL CG2 C 21.043 0.300 2
75 14 14 VAL N N 125.347 0.300 1
76 15 15 VAL H H 8.381 0.030 1
77 15 15 VAL HA H 4.752 0.030 1
78 15 15 VAL HB H 1.869 0.030 1
79 15 15 VAL HG1 H 0.892 0.030 1
80 15 15 VAL HG2 H 0.615 0.030 1
81 15 15 VAL C C 175.411 0.300 1
82 15 15 VAL CA C 61.167 0.300 1
83 15 15 VAL CB C 32.737 0.300 1
84 15 15 VAL CG1 C 20.978 0.300 2
85 15 15 VAL CG2 C 20.762 0.300 2
86 15 15 VAL N N 128.170 0.300 1
87 16 16 ILE H H 8.803 0.030 1
88 16 16 ILE HA H 4.381 0.030 1
89 16 16 ILE HB H 1.609 0.030 1
90 16 16 ILE HG12 H 1.455 0.030 2
91 16 16 ILE HG13 H 0.975 0.030 2
92 16 16 ILE HG2 H 1.038 0.030 1
93 16 16 ILE HD1 H 0.616 0.030 1
94 16 16 ILE C C 173.434 0.300 1
95 16 16 ILE CA C 60.537 0.300 1
96 16 16 ILE CB C 40.355 0.300 1
97 16 16 ILE CG1 C 27.611 0.300 1
98 16 16 ILE CG2 C 20.471 0.300 1
99 16 16 ILE CD1 C 15.273 0.300 1
100 16 16 ILE N N 126.452 0.300 1
101 17 17 HIS H H 8.581 0.030 1
102 17 17 HIS HA H 5.677 0.030 1
103 17 17 HIS HB2 H 3.132 0.030 2
104 17 17 HIS HB3 H 2.965 0.030 2
105 17 17 HIS HD2 H 7.036 0.030 1
106 17 17 HIS HE1 H 7.752 0.030 1
107 17 17 HIS C C 174.539 0.300 1
108 17 17 HIS CA C 55.059 0.300 1
109 17 17 HIS CB C 33.244 0.300 1
110 17 17 HIS CD2 C 119.483 0.300 1
111 17 17 HIS CE1 C 138.334 0.300 1
112 17 17 HIS N N 125.148 0.300 1
113 18 18 ARG H H 9.294 0.030 1
114 18 18 ARG HA H 4.979 0.030 1
115 18 18 ARG HB2 H 1.645 0.030 2
116 18 18 ARG HB3 H 0.893 0.030 2
117 18 18 ARG HG2 H 1.185 0.030 1
118 18 18 ARG HG3 H 1.185 0.030 1
119 18 18 ARG HD2 H 3.022 0.030 2
120 18 18 ARG HD3 H 0.395 0.030 2
121 18 18 ARG HE H 5.665 0.030 1
122 18 18 ARG C C 174.733 0.300 1
123 18 18 ARG CA C 52.819 0.300 1
124 18 18 ARG CB C 34.174 0.300 1
125 18 18 ARG CG C 26.512 0.300 1
126 18 18 ARG CD C 41.530 0.300 1
127 18 18 ARG N N 120.180 0.300 1
128 18 18 ARG NE N 85.877 0.300 1
129 19 19 LYS H H 9.151 0.030 1
130 19 19 LYS HA H 4.528 0.030 1
131 19 19 LYS HB2 H 1.957 0.030 2
132 19 19 LYS HB3 H 1.620 0.030 2
133 19 19 LYS HG2 H 1.543 0.030 2
134 19 19 LYS HG3 H 1.476 0.030 2
135 19 19 LYS HD2 H 1.697 0.030 1
136 19 19 LYS HD3 H 1.697 0.030 1
137 19 19 LYS HE2 H 3.003 0.030 1
138 19 19 LYS HE3 H 3.003 0.030 1
139 19 19 LYS C C 178.001 0.300 1
140 19 19 LYS CA C 55.177 0.300 1
141 19 19 LYS CB C 33.485 0.300 1
142 19 19 LYS CG C 25.466 0.300 1
143 19 19 LYS CD C 29.105 0.300 1
144 19 19 LYS CE C 42.086 0.300 1
145 19 19 LYS N N 119.139 0.300 1
146 20 20 GLU H H 8.767 0.030 1
147 20 20 GLU HA H 3.805 0.030 1
148 20 20 GLU HB2 H 1.973 0.030 2
149 20 20 GLU HB3 H 2.031 0.030 2
150 20 20 GLU HG2 H 2.314 0.030 1
151 20 20 GLU HG3 H 2.314 0.030 1
152 20 20 GLU C C 176.912 0.300 1
153 20 20 GLU CA C 59.126 0.300 1
154 20 20 GLU CB C 29.598 0.300 1
155 20 20 GLU CG C 35.988 0.300 1
156 20 20 GLU N N 118.281 0.300 1
157 21 21 ASN H H 8.172 0.030 1
158 21 21 ASN HA H 4.602 0.030 1
159 21 21 ASN HB2 H 3.019 0.030 2
160 21 21 ASN HB3 H 2.800 0.030 2
161 21 21 ASN HD21 H 6.823 0.030 2
162 21 21 ASN HD22 H 7.560 0.030 2
163 21 21 ASN C C 173.886 0.300 1
164 21 21 ASN CA C 53.076 0.300 1
165 21 21 ASN CB C 37.638 0.300 1
166 21 21 ASN N N 113.327 0.300 1
167 21 21 ASN ND2 N 112.435 0.300 1
168 22 22 GLU H H 7.543 0.030 1
169 22 22 GLU HA H 4.662 0.030 1
170 22 22 GLU HB2 H 1.956 0.030 2
171 22 22 GLU HB3 H 2.018 0.030 2
172 22 22 GLU HG2 H 2.332 0.030 2
173 22 22 GLU HG3 H 2.258 0.030 2
174 22 22 GLU C C 175.387 0.300 1
175 22 22 GLU CA C 53.998 0.300 1
176 22 22 GLU CB C 33.032 0.300 1
177 22 22 GLU CG C 35.329 0.300 1
178 22 22 GLU N N 118.806 0.300 1
179 23 23 GLY H H 8.202 0.030 1
180 23 23 GLY HA2 H 4.246 0.030 2
181 23 23 GLY HA3 H 3.691 0.030 2
182 23 23 GLY C C 174.951 0.300 1
183 23 23 GLY CA C 43.753 0.300 1
184 23 23 GLY N N 107.166 0.300 1
185 24 24 PHE H H 8.703 0.030 1
186 24 24 PHE HA H 4.112 0.030 1
187 24 24 PHE HB2 H 3.047 0.030 2
188 24 24 PHE HB3 H 2.687 0.030 2
189 24 24 PHE HD1 H 7.116 0.030 1
190 24 24 PHE HD2 H 7.116 0.030 1
191 24 24 PHE HE1 H 7.433 0.030 1
192 24 24 PHE HE2 H 7.433 0.030 1
193 24 24 PHE HZ H 7.189 0.030 1
194 24 24 PHE C C 177.952 0.300 1
195 24 24 PHE CA C 63.041 0.300 1
196 24 24 PHE CB C 40.805 0.300 1
197 24 24 PHE CD1 C 131.231 0.300 1
198 24 24 PHE CD2 C 131.231 0.300 1
199 24 24 PHE CE1 C 132.624 0.300 1
200 24 24 PHE CE2 C 132.624 0.300 1
201 24 24 PHE CZ C 130.634 0.300 1
202 24 24 PHE N N 116.048 0.300 1
203 25 25 GLY H H 8.396 0.030 1
204 25 25 GLY HA2 H 4.821 0.030 2
205 25 25 GLY HA3 H 3.620 0.030 2
206 25 25 GLY C C 173.209 0.300 1
207 25 25 GLY CA C 45.615 0.300 1
208 25 25 GLY N N 101.887 0.300 1
209 26 26 PHE H H 6.742 0.030 1
210 26 26 PHE HA H 5.760 0.030 1
211 26 26 PHE HB2 H 2.988 0.030 2
212 26 26 PHE HB3 H 2.579 0.030 2
213 26 26 PHE HD1 H 6.772 0.030 1
214 26 26 PHE HD2 H 6.772 0.030 1
215 26 26 PHE HE1 H 6.854 0.030 1
216 26 26 PHE HE2 H 6.854 0.030 1
217 26 26 PHE HZ H 6.824 0.030 1
218 26 26 PHE C C 173.523 0.300 1
219 26 26 PHE CA C 53.694 0.300 1
220 26 26 PHE CB C 42.112 0.300 1
221 26 26 PHE CD1 C 131.725 0.300 1
222 26 26 PHE CD2 C 131.725 0.300 1
223 26 26 PHE CE1 C 130.676 0.300 1
224 26 26 PHE CE2 C 130.676 0.300 1
225 26 26 PHE CZ C 129.112 0.300 1
226 26 26 PHE N N 111.123 0.300 1
227 27 27 VAL H H 8.303 0.030 1
228 27 27 VAL HA H 4.407 0.030 1
229 27 27 VAL HB H 1.909 0.030 1
230 27 27 VAL HG1 H 0.973 0.030 1
231 27 27 VAL HG2 H 0.832 0.030 1
232 27 27 VAL C C 175.895 0.300 1
233 27 27 VAL CA C 61.258 0.300 1
234 27 27 VAL CB C 35.054 0.300 1
235 27 27 VAL CG1 C 20.891 0.300 2
236 27 27 VAL CG2 C 20.448 0.300 2
237 27 27 VAL N N 121.970 0.300 1
238 28 28 ILE H H 9.406 0.030 1
239 28 28 ILE HA H 4.752 0.030 1
240 28 28 ILE HB H 1.776 0.030 1
241 28 28 ILE HG12 H 1.748 0.030 2
242 28 28 ILE HG13 H 0.855 0.030 2
243 28 28 ILE HG2 H 0.929 0.030 1
244 28 28 ILE HD1 H 0.698 0.030 1
245 28 28 ILE C C 175.314 0.300 1
246 28 28 ILE CA C 60.992 0.300 1
247 28 28 ILE CB C 39.504 0.300 1
248 28 28 ILE CG1 C 28.313 0.300 1
249 28 28 ILE CG2 C 17.347 0.300 1
250 28 28 ILE CD1 C 14.045 0.300 1
251 28 28 ILE N N 129.550 0.300 1
252 29 29 ILE H H 9.331 0.030 1
253 29 29 ILE HA H 4.671 0.030 1
254 29 29 ILE HB H 1.812 0.030 1
255 29 29 ILE HG12 H 1.037 0.030 2
256 29 29 ILE HG13 H 1.443 0.030 2
257 29 29 ILE HG2 H 0.918 0.030 1
258 29 29 ILE HD1 H 0.891 0.030 1
259 29 29 ILE C C 175.289 0.300 1
260 29 29 ILE CA C 59.626 0.300 1
261 29 29 ILE CB C 40.805 0.300 1
262 29 29 ILE CG1 C 26.852 0.300 1
263 29 29 ILE CG2 C 17.474 0.300 1
264 29 29 ILE CD1 C 13.283 0.300 1
265 29 29 ILE N N 125.153 0.300 1
266 30 30 SER H H 8.656 0.030 1
267 30 30 SER HA H 5.287 0.030 1
268 30 30 SER HB2 H 3.949 0.030 2
269 30 30 SER HB3 H 3.643 0.030 2
270 30 30 SER C C 174.346 0.300 1
271 30 30 SER CA C 57.742 0.300 1
272 30 30 SER CB C 63.985 0.300 1
273 30 30 SER N N 121.374 0.300 1
274 31 31 SER H H 8.572 0.030 1
275 31 31 SER HA H 4.532 0.030 1
276 31 31 SER HB2 H 3.806 0.030 1
277 31 31 SER HB3 H 3.806 0.030 1
278 31 31 SER C C 173.768 0.300 1
279 31 31 SER CA C 57.743 0.300 1
280 31 31 SER CB C 64.245 0.300 1
281 31 31 SER N N 119.506 0.300 1
282 32 32 LEU H H 8.411 0.030 1
283 32 32 LEU HA H 4.324 0.030 1
284 32 32 LEU HB2 H 1.660 0.030 2
285 32 32 LEU HB3 H 1.595 0.030 2
286 32 32 LEU HG H 1.543 0.030 1
287 32 32 LEU HD1 H 0.931 0.030 1
288 32 32 LEU HD2 H 0.875 0.030 1
289 32 32 LEU C C 176.791 0.300 1
290 32 32 LEU CA C 55.329 0.300 1
291 32 32 LEU CB C 42.393 0.300 1
292 32 32 LEU CG C 27.006 0.300 1
293 32 32 LEU CD1 C 24.947 0.300 2
294 32 32 LEU CD2 C 23.548 0.300 2
295 32 32 LEU N N 124.010 0.300 1
296 33 33 ASN H H 8.357 0.030 1
297 33 33 ASN HA H 4.778 0.030 1
298 33 33 ASN HB2 H 2.695 0.030 2
299 33 33 ASN HB3 H 2.795 0.030 2
300 33 33 ASN HD21 H 6.907 0.030 2
301 33 33 ASN HD22 H 7.572 0.030 2
302 33 33 ASN C C 174.599 0.300 1
303 33 33 ASN CA C 53.216 0.300 1
304 33 33 ASN CB C 39.046 0.300 1
305 33 33 ASN N N 118.992 0.300 1
306 33 33 ASN ND2 N 112.798 0.300 1
307 34 34 ARG H H 8.321 0.030 1
308 34 34 ARG HA H 4.647 0.030 1
309 34 34 ARG HB2 H 1.892 0.030 2
310 34 34 ARG HB3 H 1.738 0.030 2
311 34 34 ARG HG2 H 1.647 0.030 1
312 34 34 ARG HG3 H 1.647 0.030 1
313 34 34 ARG HD2 H 3.220 0.030 1
314 34 34 ARG HD3 H 3.220 0.030 1
315 34 34 ARG C C 174.201 0.300 1
316 34 34 ARG CA C 53.917 0.300 1
317 34 34 ARG CB C 30.203 0.300 1
318 34 34 ARG CG C 26.808 0.300 1
319 34 34 ARG CD C 43.544 0.300 1
320 34 34 ARG N N 122.285 0.300 1
321 35 35 PRO HA H 4.421 0.030 1
322 35 35 PRO HB2 H 2.291 0.030 2
323 35 35 PRO HB3 H 1.955 0.030 2
324 35 35 PRO HG2 H 1.994 0.030 1
325 35 35 PRO HG3 H 1.994 0.030 1
326 35 35 PRO HD2 H 3.761 0.030 2
327 35 35 PRO HD3 H 3.687 0.030 2
328 35 35 PRO C C 177.245 0.300 1
329 35 35 PRO CA C 63.645 0.300 1
330 35 35 PRO CB C 32.008 0.300 1
331 35 35 PRO CG C 27.418 0.300 1
332 35 35 PRO CD C 50.619 0.300 1
333 36 36 GLU H H 8.792 0.030 1
334 36 36 GLU HA H 4.300 0.030 1
335 36 36 GLU HB2 H 2.095 0.030 2
336 36 36 GLU HB3 H 1.982 0.030 2
337 36 36 GLU HG2 H 2.309 0.030 1
338 36 36 GLU HG3 H 2.309 0.030 1
339 36 36 GLU C C 176.766 0.300 1
340 36 36 GLU CA C 56.937 0.300 1
341 36 36 GLU CB C 29.950 0.300 1
342 36 36 GLU CG C 36.400 0.300 1
343 36 36 GLU N N 120.497 0.300 1
344 37 37 SER H H 8.289 0.030 1
345 37 37 SER HA H 4.498 0.030 1
346 37 37 SER HB2 H 3.920 0.030 1
347 37 37 SER HB3 H 3.920 0.030 1
348 37 37 SER C C 175.169 0.300 1
349 37 37 SER CA C 58.785 0.300 1
350 37 37 SER CB C 63.795 0.300 1
351 37 37 SER N N 115.973 0.300 1
352 38 38 GLY H H 8.423 0.030 1
353 38 38 GLY HA2 H 4.105 0.030 2
354 38 38 GLY HA3 H 3.945 0.030 2
355 38 38 GLY C C 174.201 0.300 1
356 38 38 GLY CA C 45.592 0.300 1
357 38 38 GLY N N 110.902 0.300 1
358 39 39 SER H H 8.132 0.030 1
359 39 39 SER HA H 4.567 0.030 1
360 39 39 SER HB2 H 3.885 0.030 1
361 39 39 SER HB3 H 3.885 0.030 1
362 39 39 SER C C 174.709 0.300 1
363 39 39 SER CA C 58.190 0.300 1
364 39 39 SER CB C 64.125 0.300 1
365 39 39 SER N N 115.206 0.300 1
366 40 40 THR H H 8.249 0.030 1
367 40 40 THR HA H 4.379 0.030 1
368 40 40 THR HB H 4.233 0.030 1
369 40 40 THR HG2 H 1.200 0.030 1
370 40 40 THR C C 174.370 0.300 1
371 40 40 THR CA C 62.112 0.300 1
372 40 40 THR CB C 69.694 0.300 1
373 40 40 THR CG2 C 21.720 0.300 1
374 40 40 THR N N 116.153 0.300 1
375 41 41 ILE H H 8.158 0.030 1
376 41 41 ILE HA H 4.261 0.030 1
377 41 41 ILE HB H 1.849 0.030 1
378 41 41 ILE HG12 H 1.155 0.030 2
379 41 41 ILE HG13 H 1.467 0.030 2
380 41 41 ILE HG2 H 0.860 0.030 1
381 41 41 ILE HD1 H 0.840 0.030 1
382 41 41 ILE C C 175.847 0.300 1
383 41 41 ILE CA C 60.992 0.300 1
384 41 41 ILE CB C 38.902 0.300 1
385 41 41 ILE CG1 C 27.295 0.300 1
386 41 41 ILE CG2 C 17.502 0.300 1
387 41 41 ILE CD1 C 13.117 0.300 1
388 41 41 ILE N N 122.810 0.300 1
389 42 42 THR H H 8.269 0.030 1
390 42 42 THR HA H 4.346 0.030 1
391 42 42 THR HB H 4.095 0.030 1
392 42 42 THR HG2 H 1.136 0.030 1
393 42 42 THR C C 173.886 0.300 1
394 42 42 THR CA C 61.904 0.300 1
395 42 42 THR CB C 69.696 0.300 1
396 42 42 THR CG2 C 21.772 0.300 1
397 42 42 THR N N 119.857 0.300 1
398 43 43 VAL H H 8.164 0.030 1
399 43 43 VAL HA H 4.463 0.030 1
400 43 43 VAL HB H 2.068 0.030 1
401 43 43 VAL HG1 H 0.964 0.030 1
402 43 43 VAL HG2 H 0.906 0.030 1
403 43 43 VAL C C 174.756 0.300 1
404 43 43 VAL CA C 59.422 0.300 1
405 43 43 VAL CB C 32.647 0.300 1
406 43 43 VAL CG1 C 22.526 0.300 2
407 43 43 VAL CG2 C 20.871 0.300 2
408 43 43 VAL N N 123.387 0.300 1
409 44 44 PRO HA H 4.332 0.030 1
410 44 44 PRO HB2 H 2.071 0.030 2
411 44 44 PRO HB3 H 1.574 0.030 2
412 44 44 PRO HG2 H 1.927 0.030 2
413 44 44 PRO HG3 H 1.553 0.030 2
414 44 44 PRO HD2 H 3.688 0.030 2
415 44 44 PRO HD3 H 3.810 0.030 2
416 44 44 PRO C C 175.458 0.300 1
417 44 44 PRO CA C 64.048 0.300 1
418 44 44 PRO CB C 32.477 0.300 1
419 44 44 PRO CG C 26.606 0.300 1
420 44 44 PRO CD C 51.381 0.300 1
421 45 45 HIS H H 7.423 0.030 1
422 45 45 HIS HA H 5.290 0.030 1
423 45 45 HIS HB2 H 3.172 0.030 2
424 45 45 HIS HB3 H 2.713 0.030 2
425 45 45 HIS HD2 H 6.800 0.030 1
426 45 45 HIS HE1 H 7.843 0.030 1
427 45 45 HIS C C 174.975 0.300 1
428 45 45 HIS CA C 55.950 0.300 1
429 45 45 HIS CB C 32.492 0.300 1
430 45 45 HIS CD2 C 118.072 0.300 1
431 45 45 HIS CE1 C 139.770 0.300 1
432 45 45 HIS N N 118.254 0.300 1
433 46 46 LYS H H 9.045 0.030 1
434 46 46 LYS HA H 5.520 0.030 1
435 46 46 LYS HB2 H 1.560 0.030 1
436 46 46 LYS HB3 H 1.560 0.030 1
437 46 46 LYS HG2 H 1.347 0.030 2
438 46 46 LYS HG3 H 1.067 0.030 2
439 46 46 LYS HD2 H 1.585 0.030 1
440 46 46 LYS HD3 H 1.585 0.030 1
441 46 46 LYS HE2 H 2.877 0.030 1
442 46 46 LYS HE3 H 2.877 0.030 1
443 46 46 LYS C C 175.435 0.300 1
444 46 46 LYS CA C 53.822 0.300 1
445 46 46 LYS CB C 37.391 0.300 1
446 46 46 LYS CG C 24.203 0.300 1
447 46 46 LYS CD C 30.170 0.300 1
448 46 46 LYS CE C 42.173 0.300 1
449 46 46 LYS N N 120.269 0.300 1
450 47 47 ILE H H 8.758 0.030 1
451 47 47 ILE HA H 4.294 0.030 1
452 47 47 ILE HB H 2.361 0.030 1
453 47 47 ILE HG12 H 1.432 0.030 2
454 47 47 ILE HG13 H 1.305 0.030 2
455 47 47 ILE HG2 H 0.810 0.030 1
456 47 47 ILE HD1 H 0.515 0.030 1
457 47 47 ILE C C 177.057 0.300 1
458 47 47 ILE CA C 60.363 0.300 1
459 47 47 ILE CB C 35.582 0.300 1
460 47 47 ILE CG1 C 26.677 0.300 1
461 47 47 ILE CG2 C 18.359 0.300 1
462 47 47 ILE CD1 C 11.348 0.300 1
463 47 47 ILE N N 119.644 0.300 1
464 48 48 GLY H H 9.744 0.030 1
465 48 48 GLY HA2 H 4.378 0.030 2
466 48 48 GLY HA3 H 3.597 0.030 2
467 48 48 GLY C C 172.797 0.300 1
468 48 48 GLY CA C 45.596 0.300 1
469 48 48 GLY N N 117.612 0.300 1
470 49 49 ARG H H 7.463 0.030 1
471 49 49 ARG HA H 4.394 0.030 1
472 49 49 ARG HB2 H 1.878 0.030 2
473 49 49 ARG HB3 H 1.505 0.030 2
474 49 49 ARG HG2 H 1.378 0.030 2
475 49 49 ARG HG3 H 1.657 0.030 2
476 49 49 ARG HD2 H 3.178 0.030 2
477 49 49 ARG HD3 H 3.108 0.030 2
478 49 49 ARG C C 173.427 0.300 1
479 49 49 ARG CA C 56.333 0.300 1
480 49 49 ARG CB C 33.820 0.300 1
481 49 49 ARG CG C 27.645 0.300 1
482 49 49 ARG CD C 43.640 0.300 1
483 49 49 ARG N N 118.331 0.300 1
484 50 50 ILE H H 8.630 0.030 1
485 50 50 ILE HA H 4.705 0.030 1
486 50 50 ILE HB H 1.650 0.030 1
487 50 50 ILE HG12 H 0.793 0.030 2
488 50 50 ILE HG13 H 1.448 0.030 2
489 50 50 ILE HG2 H 0.728 0.030 1
490 50 50 ILE HD1 H 0.677 0.030 1
491 50 50 ILE C C 175.502 0.300 1
492 50 50 ILE CA C 59.941 0.300 1
493 50 50 ILE CB C 40.434 0.300 1
494 50 50 ILE CG1 C 28.256 0.300 1
495 50 50 ILE CG2 C 17.080 0.300 1
496 50 50 ILE CD1 C 13.531 0.300 1
497 50 50 ILE N N 125.336 0.300 1
498 51 51 ILE H H 9.031 0.030 1
499 51 51 ILE HA H 4.009 0.030 1
500 51 51 ILE HB H 1.781 0.030 1
501 51 51 ILE HG12 H 1.435 0.030 2
502 51 51 ILE HG13 H 1.211 0.030 2
503 51 51 ILE HG2 H 1.011 0.030 1
504 51 51 ILE HD1 H 0.741 0.030 1
505 51 51 ILE C C 177.444 0.300 1
506 51 51 ILE CA C 60.848 0.300 1
507 51 51 ILE CB C 37.450 0.300 1
508 51 51 ILE CG1 C 28.310 0.300 1
509 51 51 ILE CG2 C 17.062 0.300 1
510 51 51 ILE CD1 C 11.467 0.300 1
511 51 51 ILE N N 129.110 0.300 1
512 52 52 ASP H H 9.089 0.030 1
513 52 52 ASP HA H 4.394 0.030 1
514 52 52 ASP HB2 H 2.666 0.030 1
515 52 52 ASP HB3 H 2.666 0.030 1
516 52 52 ASP C C 177.517 0.300 1
517 52 52 ASP CA C 56.368 0.300 1
518 52 52 ASP CB C 40.824 0.300 1
519 52 52 ASP N N 132.813 0.300 1
520 53 53 GLY H H 10.753 0.030 1
521 53 53 GLY HA2 H 4.260 0.030 2
522 53 53 GLY HA3 H 3.827 0.030 2
523 53 53 GLY C C 173.911 0.300 1
524 53 53 GLY CA C 45.671 0.300 1
525 53 53 GLY N N 114.709 0.300 1
526 54 54 SER H H 7.871 0.030 1
527 54 54 SER HA H 4.847 0.030 1
528 54 54 SER HB2 H 4.360 0.030 2
529 54 54 SER HB3 H 3.759 0.030 2
530 54 54 SER C C 173.281 0.300 1
531 54 54 SER CA C 58.050 0.300 1
532 54 54 SER CB C 63.542 0.300 1
533 54 54 SER N N 117.257 0.300 1
534 55 55 PRO HA H 4.291 0.030 1
535 55 55 PRO HB2 H 2.938 0.030 2
536 55 55 PRO HB3 H 2.229 0.030 2
537 55 55 PRO HG2 H 2.241 0.030 2
538 55 55 PRO HG3 H 2.314 0.030 2
539 55 55 PRO HD2 H 3.985 0.030 2
540 55 55 PRO HD3 H 3.922 0.030 2
541 55 55 PRO C C 179.153 0.300 1
542 55 55 PRO CA C 66.883 0.300 1
543 55 55 PRO CB C 32.114 0.300 1
544 55 55 PRO CG C 29.066 0.300 1
545 55 55 PRO CD C 50.861 0.300 1
546 56 56 ALA H H 8.384 0.030 1
547 56 56 ALA HA H 4.140 0.030 1
548 56 56 ALA HB H 1.530 0.030 1
549 56 56 ALA C C 177.928 0.300 1
550 56 56 ALA CA C 54.872 0.300 1
551 56 56 ALA CB C 19.542 0.300 1
552 56 56 ALA N N 117.461 0.300 1
553 57 57 ASP H H 7.623 0.030 1
554 57 57 ASP HA H 4.472 0.030 1
555 57 57 ASP HB2 H 3.081 0.030 2
556 57 57 ASP HB3 H 2.994 0.030 2
557 57 57 ASP C C 178.339 0.300 1
558 57 57 ASP CA C 56.403 0.300 1
559 57 57 ASP CB C 42.796 0.300 1
560 57 57 ASP N N 119.365 0.300 1
561 58 58 ARG H H 8.594 0.030 1
562 58 58 ARG HA H 4.050 0.030 1
563 58 58 ARG HB2 H 1.924 0.030 1
564 58 58 ARG HB3 H 1.924 0.030 1
565 58 58 ARG HG2 H 1.790 0.030 2
566 58 58 ARG HG3 H 1.658 0.030 2
567 58 58 ARG HD2 H 3.325 0.030 2
568 58 58 ARG HD3 H 3.200 0.030 2
569 58 58 ARG C C 178.315 0.300 1
570 58 58 ARG CA C 58.838 0.300 1
571 58 58 ARG CB C 30.751 0.300 1
572 58 58 ARG CG C 28.417 0.300 1
573 58 58 ARG CD C 43.817 0.300 1
574 58 58 ARG N N 116.018 0.300 1
575 59 59 CYS H H 7.740 0.030 1
576 59 59 CYS HA H 4.621 0.030 1
577 59 59 CYS HB2 H 3.268 0.030 2
578 59 59 CYS HB3 H 3.140 0.030 2
579 59 59 CYS C C 174.612 0.300 1
580 59 59 CYS CA C 59.731 0.300 1
581 59 59 CYS CB C 27.171 0.300 1
582 59 59 CYS N N 113.869 0.300 1
583 60 60 ALA H H 7.737 0.030 1
584 60 60 ALA HA H 4.383 0.030 1
585 60 60 ALA HB H 1.561 0.030 1
586 60 60 ALA C C 177.420 0.300 1
587 60 60 ALA CA C 54.503 0.300 1
588 60 60 ALA CB C 17.312 0.300 1
589 60 60 ALA N N 121.073 0.300 1
590 61 61 LYS H H 7.689 0.030 1
591 61 61 LYS HA H 4.546 0.030 1
592 61 61 LYS HB2 H 2.123 0.030 2
593 61 61 LYS HB3 H 1.495 0.030 2
594 61 61 LYS HG2 H 1.494 0.030 2
595 61 61 LYS HG3 H 1.650 0.030 2
596 61 61 LYS HD2 H 1.711 0.030 2
597 61 61 LYS HD3 H 1.785 0.030 2
598 61 61 LYS HE2 H 3.081 0.030 2
599 61 61 LYS HE3 H 2.992 0.030 2
600 61 61 LYS C C 174.879 0.300 1
601 61 61 LYS CA C 56.085 0.300 1
602 61 61 LYS CB C 35.853 0.300 1
603 61 61 LYS CG C 25.016 0.300 1
604 61 61 LYS CD C 29.254 0.300 1
605 61 61 LYS CE C 42.443 0.300 1
606 61 61 LYS N N 117.959 0.300 1
607 62 62 LEU H H 7.909 0.030 1
608 62 62 LEU HA H 4.752 0.030 1
609 62 62 LEU HB2 H 1.329 0.030 1
610 62 62 LEU HB3 H 1.329 0.030 1
611 62 62 LEU HG H 1.437 0.030 1
612 62 62 LEU HD1 H 0.682 0.030 1
613 62 62 LEU HD2 H 0.589 0.030 1
614 62 62 LEU C C 175.048 0.300 1
615 62 62 LEU CA C 53.356 0.300 1
616 62 62 LEU CB C 46.806 0.300 1
617 62 62 LEU CG C 26.825 0.300 1
618 62 62 LEU CD1 C 25.049 0.300 2
619 62 62 LEU CD2 C 24.547 0.300 2
620 62 62 LEU N N 119.840 0.300 1
621 63 63 LYS H H 9.179 0.030 1
622 63 63 LYS HA H 4.543 0.030 1
623 63 63 LYS HB2 H 1.792 0.030 2
624 63 63 LYS HB3 H 1.686 0.030 2
625 63 63 LYS HG2 H 1.392 0.030 2
626 63 63 LYS HG3 H 1.351 0.030 1
627 63 63 LYS HD2 H 1.702 0.030 1
628 63 63 LYS HD3 H 1.702 0.030 1
629 63 63 LYS HE2 H 2.986 0.030 1
630 63 63 LYS HE3 H 2.986 0.030 1
631 63 63 LYS C C 175.798 0.300 1
632 63 63 LYS CA C 54.406 0.300 1
633 63 63 LYS CB C 35.824 0.300 1
634 63 63 LYS CG C 24.271 0.300 1
635 63 63 LYS CD C 29.149 0.300 1
636 63 63 LYS CE C 42.334 0.300 1
637 63 63 LYS N N 124.476 0.300 1
638 64 64 VAL H H 8.434 0.030 1
639 64 64 VAL HA H 3.328 0.030 1
640 64 64 VAL HB H 1.883 0.030 1
641 64 64 VAL HG1 H 0.951 0.030 1
642 64 64 VAL HG2 H 0.927 0.030 1
643 64 64 VAL C C 177.057 0.300 1
644 64 64 VAL CA C 65.447 0.300 1
645 64 64 VAL CB C 31.260 0.300 1
646 64 64 VAL CG1 C 23.143 0.300 2
647 64 64 VAL CG2 C 21.229 0.300 2
648 64 64 VAL N N 121.251 0.300 1
649 65 65 GLY H H 9.090 0.030 1
650 65 65 GLY HA2 H 4.627 0.030 2
651 65 65 GLY HA3 H 3.419 0.030 2
652 65 65 GLY C C 174.298 0.300 1
653 65 65 GLY CA C 44.717 0.300 1
654 65 65 GLY N N 116.141 0.300 1
655 66 66 ASP H H 8.025 0.030 1
656 66 66 ASP HA H 4.553 0.030 1
657 66 66 ASP HB2 H 2.677 0.030 2
658 66 66 ASP HB3 H 2.301 0.030 2
659 66 66 ASP C C 176.186 0.300 1
660 66 66 ASP CA C 56.464 0.300 1
661 66 66 ASP CB C 40.946 0.300 1
662 66 66 ASP N N 122.695 0.300 1
663 67 67 ARG H H 8.305 0.030 1
664 67 67 ARG HA H 4.867 0.030 1
665 67 67 ARG HB2 H 1.950 0.030 2
666 67 67 ARG HB3 H 1.746 0.030 2
667 67 67 ARG HG2 H 1.846 0.030 2
668 67 67 ARG HG3 H 1.740 0.030 2
669 67 67 ARG HD2 H 3.306 0.030 2
670 67 67 ARG HD3 H 3.193 0.030 2
671 67 67 ARG HE H 8.532 0.030 1
672 67 67 ARG C C 175.677 0.300 1
673 67 67 ARG CA C 55.353 0.300 1
674 67 67 ARG CB C 31.740 0.300 1
675 67 67 ARG CG C 28.208 0.300 1
676 67 67 ARG CD C 43.424 0.300 1
677 67 67 ARG N N 121.130 0.300 1
678 67 67 ARG NE N 85.322 0.300 1
679 68 68 ILE H H 8.073 0.030 1
680 68 68 ILE HA H 4.470 0.030 1
681 68 68 ILE HB H 1.553 0.030 1
682 68 68 ILE HG12 H 1.373 0.030 2
683 68 68 ILE HG13 H 0.802 0.030 2
684 68 68 ILE HG2 H 0.687 0.030 1
685 68 68 ILE HD1 H 0.566 0.030 1
686 68 68 ILE C C 173.717 0.300 1
687 68 68 ILE CA C 60.152 0.300 1
688 68 68 ILE CB C 39.816 0.300 1
689 68 68 ILE CG1 C 26.835 0.300 1
690 68 68 ILE CG2 C 19.230 0.300 1
691 68 68 ILE CD1 C 14.361 0.300 1
692 68 68 ILE N N 120.238 0.300 1
693 69 69 LEU H H 9.046 0.030 1
694 69 69 LEU HA H 4.495 0.030 1
695 69 69 LEU HB2 H 1.674 0.030 2
696 69 69 LEU HB3 H 1.329 0.030 2
697 69 69 LEU HG H 1.591 0.030 1
698 69 69 LEU HD1 H 0.852 0.030 1
699 69 69 LEU HD2 H 0.855 0.030 1
700 69 69 LEU C C 177.877 0.300 1
701 69 69 LEU CA C 55.773 0.300 1
702 69 69 LEU CB C 44.375 0.300 1
703 69 69 LEU CG C 28.121 0.300 1
704 69 69 LEU CD1 C 25.871 0.300 2
705 69 69 LEU CD2 C 24.568 0.300 2
706 69 69 LEU N N 123.768 0.300 1
707 70 70 ALA H H 7.624 0.030 1
708 70 70 ALA HA H 5.068 0.030 1
709 70 70 ALA HB H 1.078 0.030 1
710 70 70 ALA C C 174.661 0.300 1
711 70 70 ALA CA C 51.825 0.300 1
712 70 70 ALA CB C 21.946 0.300 1
713 70 70 ALA N N 119.130 0.300 1
714 71 71 VAL H H 8.095 0.030 1
715 71 71 VAL HA H 4.400 0.030 1
716 71 71 VAL HB H 1.766 0.030 1
717 71 71 VAL HG1 H 0.670 0.030 1
718 71 71 VAL HG2 H 0.614 0.030 1
719 71 71 VAL C C 175.314 0.300 1
720 71 71 VAL CA C 60.852 0.300 1
721 71 71 VAL CB C 34.251 0.300 1
722 71 71 VAL CG1 C 20.780 0.300 1
723 71 71 VAL CG2 C 20.780 0.300 1
724 71 71 VAL N N 119.132 0.300 1
725 72 72 ASN H H 9.942 0.030 1
726 72 72 ASN HA H 4.455 0.030 1
727 72 72 ASN HB2 H 3.285 0.030 2
728 72 72 ASN HB3 H 2.851 0.030 2
729 72 72 ASN HD21 H 6.756 0.030 2
730 72 72 ASN HD22 H 8.029 0.030 2
731 72 72 ASN C C 175.362 0.300 1
732 72 72 ASN CA C 53.776 0.300 1
733 72 72 ASN CB C 36.482 0.300 1
734 72 72 ASN N N 128.100 0.300 1
735 72 72 ASN ND2 N 110.759 0.300 1
736 73 73 GLY H H 9.334 0.030 1
737 73 73 GLY HA2 H 4.116 0.030 2
738 73 73 GLY HA3 H 3.450 0.030 2
739 73 73 GLY C C 173.717 0.300 1
740 73 73 GLY CA C 45.151 0.300 1
741 73 73 GLY N N 103.805 0.300 1
742 74 74 GLN H H 7.984 0.030 1
743 74 74 GLN HA H 4.474 0.030 1
744 74 74 GLN HB2 H 2.095 0.030 1
745 74 74 GLN HB3 H 2.095 0.030 1
746 74 74 GLN HG2 H 2.269 0.030 1
747 74 74 GLN HG3 H 2.269 0.030 1
748 74 74 GLN HE21 H 7.513 0.030 2
749 74 74 GLN HE22 H 6.942 0.030 2
750 74 74 GLN C C 174.879 0.300 1
751 74 74 GLN CA C 53.983 0.300 1
752 74 74 GLN CB C 29.275 0.300 1
753 74 74 GLN CG C 33.492 0.300 1
754 74 74 GLN N N 121.916 0.300 1
755 74 74 GLN NE2 N 112.366 0.300 1
756 75 75 SER H H 8.882 0.030 1
757 75 75 SER HA H 4.578 0.030 1
758 75 75 SER HB2 H 4.058 0.030 2
759 75 75 SER HB3 H 3.870 0.030 2
760 75 75 SER C C 177.638 0.300 1
761 75 75 SER CA C 58.715 0.300 1
762 75 75 SER CB C 63.301 0.300 1
763 75 75 SER N N 120.199 0.300 1
764 76 76 ILE H H 8.027 0.030 1
765 76 76 ILE HA H 4.798 0.030 1
766 76 76 ILE HB H 2.130 0.030 1
767 76 76 ILE HG12 H 1.118 0.030 2
768 76 76 ILE HG13 H 0.551 0.030 2
769 76 76 ILE HG2 H 0.914 0.030 1
770 76 76 ILE HD1 H 0.499 0.030 1
771 76 76 ILE C C 177.178 0.300 1
772 76 76 ILE CA C 60.747 0.300 1
773 76 76 ILE CB C 38.284 0.300 1
774 76 76 ILE CG1 C 26.703 0.300 1
775 76 76 ILE CG2 C 18.024 0.300 1
776 76 76 ILE CD1 C 14.218 0.300 1
777 76 76 ILE N N 119.249 0.300 1
778 77 77 ILE H H 7.526 0.030 1
779 77 77 ILE HA H 3.920 0.030 1
780 77 77 ILE HB H 1.980 0.030 1
781 77 77 ILE HG12 H 1.370 0.030 2
782 77 77 ILE HG13 H 1.699 0.030 2
783 77 77 ILE HG2 H 1.060 0.030 1
784 77 77 ILE HD1 H 1.009 0.030 1
785 77 77 ILE C C 176.040 0.300 1
786 77 77 ILE CA C 64.845 0.300 1
787 77 77 ILE CB C 37.776 0.300 1
788 77 77 ILE CG1 C 27.875 0.300 1
789 77 77 ILE CG2 C 17.581 0.300 1
790 77 77 ILE CD1 C 13.287 0.300 1
791 77 77 ILE N N 120.074 0.300 1
792 78 78 ASN H H 8.596 0.030 1
793 78 78 ASN HA H 5.011 0.030 1
794 78 78 ASN HB2 H 3.065 0.030 2
795 78 78 ASN HB3 H 2.621 0.030 2
796 78 78 ASN HD21 H 7.624 0.030 2
797 78 78 ASN HD22 H 6.936 0.030 2
798 78 78 ASN C C 174.830 0.300 1
799 78 78 ASN CA C 52.831 0.300 1
800 78 78 ASN CB C 39.272 0.300 1
801 78 78 ASN N N 116.401 0.300 1
802 78 78 ASN ND2 N 112.996 0.300 1
803 79 79 MET H H 7.673 0.030 1
804 79 79 MET HA H 4.772 0.030 1
805 79 79 MET HB2 H 1.974 0.030 1
806 79 79 MET HB3 H 1.974 0.030 1
807 79 79 MET HG2 H 2.641 0.030 2
808 79 79 MET HG3 H 2.749 0.030 2
809 79 79 MET HE H 2.064 0.030 1
810 79 79 MET C C 174.104 0.300 1
811 79 79 MET CA C 54.267 0.300 1
812 79 79 MET CB C 35.036 0.300 1
813 79 79 MET CG C 32.549 0.300 1
814 79 79 MET CE C 16.830 0.300 1
815 79 79 MET N N 122.023 0.300 1
816 80 80 PRO HA H 4.694 0.030 1
817 80 80 PRO HB2 H 2.506 0.030 2
818 80 80 PRO HB3 H 2.065 0.030 2
819 80 80 PRO HG2 H 2.095 0.030 1
820 80 80 PRO HG3 H 2.095 0.030 1
821 80 80 PRO HD2 H 3.864 0.030 2
822 80 80 PRO HD3 H 4.030 0.030 2
823 80 80 PRO C C 173.750 0.300 1
824 80 80 PRO CA C 62.418 0.300 1
825 80 80 PRO CB C 32.712 0.300 1
826 80 80 PRO CG C 27.985 0.300 1
827 80 80 PRO CD C 51.231 0.300 1
828 81 81 HIS H H 9.058 0.030 1
829 81 81 HIS HA H 3.930 0.030 1
830 81 81 HIS HB2 H 3.363 0.030 2
831 81 81 HIS HB3 H 3.136 0.030 2
832 81 81 HIS HD2 H 7.028 0.030 1
833 81 81 HIS HE1 H 7.808 0.030 1
834 81 81 HIS C C 176.857 0.300 1
835 81 81 HIS CA C 61.726 0.300 1
836 81 81 HIS CB C 30.747 0.300 1
837 81 81 HIS CD2 C 120.928 0.300 1
838 81 81 HIS CE1 C 138.478 0.300 1
839 81 81 HIS N N 123.129 0.300 1
840 82 82 ALA H H 9.068 0.030 1
841 82 82 ALA HA H 4.001 0.030 1
842 82 82 ALA HB H 1.479 0.030 1
843 82 82 ALA C C 180.227 0.300 1
844 82 82 ALA CA C 55.293 0.300 1
845 82 82 ALA CB C 18.452 0.300 1
846 82 82 ALA N N 117.320 0.300 1
847 83 83 ASP H H 7.227 0.030 1
848 83 83 ASP HA H 4.483 0.030 1
849 83 83 ASP HB2 H 2.731 0.030 1
850 83 83 ASP HB3 H 2.731 0.030 1
851 83 83 ASP C C 178.436 0.300 1
852 83 83 ASP CA C 56.684 0.300 1
853 83 83 ASP CB C 40.374 0.300 1
854 83 83 ASP N N 116.910 0.300 1
855 84 84 ILE H H 7.599 0.030 1
856 84 84 ILE HA H 3.532 0.030 1
857 84 84 ILE HB H 1.706 0.030 1
858 84 84 ILE HG12 H 1.463 0.030 2
859 84 84 ILE HG13 H 0.688 0.030 2
860 84 84 ILE HG2 H 0.626 0.030 1
861 84 84 ILE HD1 H 0.314 0.030 1
862 84 84 ILE C C 177.444 0.300 1
863 84 84 ILE CA C 65.354 0.300 1
864 84 84 ILE CB C 37.901 0.300 1
865 84 84 ILE CG1 C 28.425 0.300 1
866 84 84 ILE CG2 C 17.759 0.300 1
867 84 84 ILE CD1 C 14.048 0.300 1
868 84 84 ILE N N 123.580 0.300 1
869 85 85 VAL H H 7.762 0.030 1
870 85 85 VAL HA H 3.428 0.030 1
871 85 85 VAL HB H 1.999 0.030 1
872 85 85 VAL HG1 H 0.898 0.030 1
873 85 85 VAL HG2 H 0.777 0.030 1
874 85 85 VAL C C 178.920 0.300 1
875 85 85 VAL CA C 66.817 0.300 1
876 85 85 VAL CB C 31.572 0.300 1
877 85 85 VAL CG1 C 21.128 0.300 2
878 85 85 VAL CG2 C 22.274 0.300 2
879 85 85 VAL N N 117.951 0.300 1
880 86 86 LYS H H 7.269 0.030 1
881 86 86 LYS HA H 3.989 0.030 1
882 86 86 LYS HB2 H 1.957 0.030 2
883 86 86 LYS HB3 H 1.888 0.030 2
884 86 86 LYS HG2 H 1.534 0.030 2
885 86 86 LYS HG3 H 1.464 0.030 2
886 86 86 LYS HD2 H 1.773 0.030 1
887 86 86 LYS HD3 H 1.773 0.030 1
888 86 86 LYS HE2 H 3.020 0.030 1
889 86 86 LYS HE3 H 3.020 0.030 1
890 86 86 LYS C C 177.105 0.300 1
891 86 86 LYS CA C 59.696 0.300 1
892 86 86 LYS CB C 32.545 0.300 1
893 86 86 LYS CG C 25.275 0.300 1
894 86 86 LYS CD C 29.231 0.300 1
895 86 86 LYS CE C 42.416 0.300 1
896 86 86 LYS N N 120.202 0.300 1
897 87 87 LEU H H 7.623 0.030 1
898 87 87 LEU HA H 4.087 0.030 1
899 87 87 LEU HB2 H 1.892 0.030 2
900 87 87 LEU HB3 H 1.679 0.030 2
901 87 87 LEU HG H 1.725 0.030 1
902 87 87 LEU HD1 H 0.837 0.030 1
903 87 87 LEU HD2 H 0.796 0.030 1
904 87 87 LEU C C 179.937 0.300 1
905 87 87 LEU CA C 58.120 0.300 1
906 87 87 LEU CB C 42.614 0.300 1
907 87 87 LEU CG C 26.706 0.300 1
908 87 87 LEU CD1 C 25.262 0.300 2
909 87 87 LEU CD2 C 24.565 0.300 2
910 87 87 LEU N N 119.721 0.300 1
911 88 88 ILE H H 7.794 0.030 1
912 88 88 ILE HA H 3.559 0.030 1
913 88 88 ILE HB H 1.981 0.030 1
914 88 88 ILE HG12 H 1.805 0.030 2
915 88 88 ILE HG13 H 1.016 0.030 2
916 88 88 ILE HG2 H 1.014 0.030 1
917 88 88 ILE HD1 H 0.817 0.030 1
918 88 88 ILE C C 178.388 0.300 1
919 88 88 ILE CA C 64.673 0.300 1
920 88 88 ILE CB C 37.706 0.300 1
921 88 88 ILE CG1 C 29.869 0.300 1
922 88 88 ILE CG2 C 18.218 0.300 1
923 88 88 ILE CD1 C 13.489 0.300 1
924 88 88 ILE N N 117.419 0.300 1
925 89 89 LYS H H 8.189 0.030 1
926 89 89 LYS HA H 4.120 0.030 1
927 89 89 LYS HB2 H 2.034 0.030 2
928 89 89 LYS HB3 H 1.959 0.030 2
929 89 89 LYS HG2 H 1.593 0.030 2
930 89 89 LYS HG3 H 1.516 0.030 2
931 89 89 LYS HD2 H 1.669 0.030 1
932 89 89 LYS HD3 H 1.669 0.030 1
933 89 89 LYS HE2 H 2.997 0.030 1
934 89 89 LYS HE3 H 2.997 0.030 1
935 89 89 LYS C C 178.993 0.300 1
936 89 89 LYS CA C 59.620 0.300 1
937 89 89 LYS CB C 32.317 0.300 1
938 89 89 LYS CG C 25.034 0.300 1
939 89 89 LYS CD C 29.090 0.300 1
940 89 89 LYS CE C 42.004 0.300 1
941 89 89 LYS N N 121.734 0.300 1
942 90 90 ASP H H 8.262 0.030 1
943 90 90 ASP HA H 4.649 0.030 1
944 90 90 ASP HB2 H 2.839 0.030 2
945 90 90 ASP HB3 H 2.712 0.030 2
946 90 90 ASP C C 176.815 0.300 1
947 90 90 ASP CA C 55.131 0.300 1
948 90 90 ASP CB C 40.576 0.300 1
949 90 90 ASP N N 118.066 0.300 1
950 91 91 ALA H H 7.521 0.030 1
951 91 91 ALA HA H 4.248 0.030 1
952 91 91 ALA HB H 1.719 0.030 1
953 91 91 ALA C C 177.807 0.300 1
954 91 91 ALA CA C 53.877 0.300 1
955 91 91 ALA CB C 19.250 0.300 1
956 91 91 ALA N N 122.529 0.300 1
957 92 92 GLY H H 8.005 0.030 1
958 92 92 GLY HA2 H 4.283 0.030 2
959 92 92 GLY HA3 H 3.920 0.030 2
960 92 92 GLY C C 175.266 0.300 1
961 92 92 GLY CA C 45.036 0.300 1
962 92 92 GLY N N 104.875 0.300 1
963 93 93 LEU H H 8.854 0.030 1
964 93 93 LEU HA H 4.190 0.030 1
965 93 93 LEU HB2 H 2.227 0.030 2
966 93 93 LEU HB3 H 1.808 0.030 2
967 93 93 LEU HG H 1.751 0.030 1
968 93 93 LEU HD1 H 1.011 0.030 1
969 93 93 LEU HD2 H 0.670 0.030 1
970 93 93 LEU C C 175.919 0.300 1
971 93 93 LEU CA C 56.105 0.300 1
972 93 93 LEU CB C 40.624 0.300 1
973 93 93 LEU CG C 27.089 0.300 1
974 93 93 LEU CD1 C 25.499 0.300 2
975 93 93 LEU CD2 C 21.650 0.300 2
976 93 93 LEU N N 121.915 0.300 1
977 94 94 SER H H 7.715 0.030 1
978 94 94 SER HA H 5.829 0.030 1
979 94 94 SER HB2 H 3.701 0.030 2
980 94 94 SER HB3 H 3.454 0.030 2
981 94 94 SER C C 172.410 0.300 1
982 94 94 SER CA C 56.870 0.300 1
983 94 94 SER CB C 65.920 0.300 1
984 94 94 SER N N 111.749 0.300 1
985 95 95 VAL H H 8.567 0.030 1
986 95 95 VAL HA H 4.786 0.030 1
987 95 95 VAL HB H 1.505 0.030 1
988 95 95 VAL HG1 H 0.596 0.030 1
989 95 95 VAL HG2 H 0.133 0.030 1
990 95 95 VAL C C 172.095 0.300 1
991 95 95 VAL CA C 59.486 0.300 1
992 95 95 VAL CB C 35.294 0.300 1
993 95 95 VAL CG1 C 21.910 0.300 2
994 95 95 VAL CG2 C 19.590 0.300 2
995 95 95 VAL N N 120.055 0.300 1
996 96 96 THR H H 8.267 0.030 1
997 96 96 THR HA H 5.121 0.030 1
998 96 96 THR HB H 3.964 0.030 1
999 96 96 THR HG2 H 0.925 0.030 1
1000 96 96 THR C C 174.733 0.300 1
1001 96 96 THR CA C 60.894 0.300 1
1002 96 96 THR CB C 69.634 0.300 1
1003 96 96 THR CG2 C 21.185 0.300 1
1004 96 96 THR N N 120.567 0.300 1
1005 97 97 LEU H H 9.516 0.030 1
1006 97 97 LEU HA H 4.971 0.030 1
1007 97 97 LEU HB2 H 1.579 0.030 2
1008 97 97 LEU HB3 H 1.041 0.030 2
1009 97 97 LEU HG H 1.334 0.030 1
1010 97 97 LEU HD1 H 0.524 0.030 1
1011 97 97 LEU HD2 H 0.083 0.030 1
1012 97 97 LEU C C 174.516 0.300 1
1013 97 97 LEU CA C 52.620 0.300 1
1014 97 97 LEU CB C 44.311 0.300 1
1015 97 97 LEU CG C 26.672 0.300 1
1016 97 97 LEU CD1 C 23.774 0.300 2
1017 97 97 LEU CD2 C 25.422 0.300 2
1018 97 97 LEU N N 128.930 0.300 1
1019 98 98 ARG H H 8.224 0.030 1
1020 98 98 ARG HA H 5.329 0.030 1
1021 98 98 ARG HB2 H 1.760 0.030 1
1022 98 98 ARG HB3 H 1.760 0.030 1
1023 98 98 ARG HG2 H 1.556 0.030 2
1024 98 98 ARG HG3 H 1.433 0.030 2
1025 98 98 ARG HD2 H 2.965 0.030 2
1026 98 98 ARG HD3 H 3.176 0.030 2
1027 98 98 ARG C C 175.665 0.300 1
1028 98 98 ARG CA C 55.528 0.300 1
1029 98 98 ARG CB C 31.823 0.300 1
1030 98 98 ARG CG C 27.051 0.300 1
1031 98 98 ARG CD C 43.153 0.300 1
1032 98 98 ARG N N 125.431 0.300 1
1033 99 99 ILE H H 9.279 0.030 1
1034 99 99 ILE HA H 5.599 0.030 1
1035 99 99 ILE HB H 1.790 0.030 1
1036 99 99 ILE HG12 H 1.212 0.030 2
1037 99 99 ILE HG13 H 1.048 0.030 2
1038 99 99 ILE HG2 H 0.659 0.030 1
1039 99 99 ILE HD1 H 0.730 0.030 1
1040 99 99 ILE C C 175.701 0.300 1
1041 99 99 ILE CA C 58.528 0.300 1
1042 99 99 ILE CB C 42.521 0.300 1
1043 99 99 ILE CG1 C 26.300 0.300 1
1044 99 99 ILE CG2 C 18.280 0.300 1
1045 99 99 ILE CD1 C 14.825 0.300 1
1046 99 99 ILE N N 122.941 0.300 1
1047 100 100 ILE H H 8.504 0.030 1
1048 100 100 ILE HA H 4.785 0.030 1
1049 100 100 ILE HB H 1.699 0.030 1
1050 100 100 ILE HG12 H 1.529 0.030 2
1051 100 100 ILE HG13 H 1.016 0.030 2
1052 100 100 ILE HG2 H 0.964 0.030 1
1053 100 100 ILE HD1 H 0.860 0.030 1
1054 100 100 ILE C C 174.177 0.300 1
1055 100 100 ILE CA C 58.435 0.300 1
1056 100 100 ILE CB C 40.887 0.300 1
1057 100 100 ILE CG1 C 27.484 0.300 1
1058 100 100 ILE CG2 C 17.768 0.300 1
1059 100 100 ILE CD1 C 14.524 0.300 1
1060 100 100 ILE N N 119.614 0.300 1
1061 101 101 PRO HA H 4.561 0.030 1
1062 101 101 PRO HB2 H 2.372 0.030 2
1063 101 101 PRO HB3 H 1.925 0.030 2
1064 101 101 PRO HG2 H 2.043 0.030 2
1065 101 101 PRO HG3 H 1.888 0.030 2
1066 101 101 PRO HD2 H 3.783 0.030 2
1067 101 101 PRO HD3 H 3.755 0.030 2
1068 101 101 PRO C C 177.197 0.300 1
1069 101 101 PRO CA C 62.313 0.300 1
1070 101 101 PRO CB C 32.566 0.300 1
1071 101 101 PRO CG C 27.390 0.300 1
1072 101 101 PRO CD C 51.759 0.300 1
1073 102 102 GLN H H 9.099 0.030 1
1074 102 102 GLN HA H 4.151 0.030 1
1075 102 102 GLN HB2 H 2.038 0.030 1
1076 102 102 GLN HB3 H 2.038 0.030 1
1077 102 102 GLN HG2 H 2.408 0.030 1
1078 102 102 GLN HG3 H 2.408 0.030 1
1079 102 102 GLN HE21 H 7.684 0.030 2
1080 102 102 GLN HE22 H 6.868 0.030 2
1081 102 102 GLN C C 176.282 0.300 1
1082 102 102 GLN CA C 57.034 0.300 1
1083 102 102 GLN CB C 29.598 0.300 1
1084 102 102 GLN CG C 33.928 0.300 1
1085 102 102 GLN N N 122.548 0.300 1
1086 102 102 GLN NE2 N 112.573 0.300 1
1087 103 103 GLU H H 8.791 0.030 1
1088 103 103 GLU HA H 4.235 0.030 1
1089 103 103 GLU HB2 H 2.037 0.030 1
1090 103 103 GLU HB3 H 2.037 0.030 1
1091 103 103 GLU HG2 H 2.270 0.030 1
1092 103 103 GLU HG3 H 2.270 0.030 1
1093 103 103 GLU C C 176.573 0.300 1
1094 103 103 GLU CA C 57.111 0.300 1
1095 103 103 GLU CB C 30.294 0.300 1
1096 103 103 GLU CG C 36.318 0.300 1
1097 103 103 GLU N N 122.185 0.300 1
1098 104 104 GLU H H 8.367 0.030 1
1099 104 104 GLU HA H 4.286 0.030 1
1100 104 104 GLU HB2 H 2.094 0.030 2
1101 104 104 GLU HB3 H 1.940 0.030 2
1102 104 104 GLU HG2 H 2.314 0.030 1
1103 104 104 GLU HG3 H 2.314 0.030 1
1104 104 104 GLU C C 176.545 0.300 1
1105 104 104 GLU CA C 56.544 0.300 1
1106 104 104 GLU CB C 30.312 0.300 1
1107 104 104 GLU CG C 36.186 0.300 1
1108 104 104 GLU N N 121.750 0.300 1
1109 105 105 LEU H H 8.177 0.030 1
1110 105 105 LEU HA H 4.371 0.030 1
1111 105 105 LEU HB2 H 1.659 0.030 2
1112 105 105 LEU HB3 H 1.613 0.030 2
1113 105 105 LEU HG H 1.624 0.030 1
1114 105 105 LEU HD1 H 0.930 0.030 1
1115 105 105 LEU HD2 H 0.874 0.030 1
1116 105 105 LEU C C 176.881 0.300 1
1117 105 105 LEU CA C 55.248 0.300 1
1118 105 105 LEU CB C 42.453 0.300 1
1119 105 105 LEU CG C 27.171 0.300 1
1120 105 105 LEU CD1 C 24.939 0.300 2
1121 105 105 LEU CD2 C 23.793 0.300 2
1122 105 105 LEU N N 122.819 0.300 1
1123 106 106 ASN H H 8.438 0.030 1
1124 106 106 ASN HA H 4.740 0.030 1
1125 106 106 ASN HB2 H 2.732 0.030 2
1126 106 106 ASN HB3 H 2.819 0.030 2
1127 106 106 ASN HD21 H 7.640 0.030 2
1128 106 106 ASN HD22 H 6.912 0.030 2
1129 106 106 ASN C C 174.612 0.300 1
1130 106 106 ASN CA C 53.216 0.300 1
1131 106 106 ASN CB C 39.155 0.300 1
1132 106 106 ASN N N 119.836 0.300 1
1133 106 106 ASN ND2 N 113.310 0.300 1
1134 107 107 SER H H 8.212 0.030 1
1135 107 107 SER HA H 4.757 0.030 1
1136 107 107 SER HB2 H 3.867 0.030 1
1137 107 107 SER HB3 H 3.867 0.030 1
1138 107 107 SER C C 172.846 0.300 1
1139 107 107 SER CA C 56.438 0.300 1
1140 107 107 SER CB C 63.383 0.300 1
1141 107 107 SER N N 117.145 0.300 1
1142 108 108 PRO HA H 4.502 0.030 1
1143 108 108 PRO HB2 H 2.326 0.030 2
1144 108 108 PRO HB3 H 1.991 0.030 2
1145 108 108 PRO HG2 H 2.055 0.030 1
1146 108 108 PRO HG3 H 2.055 0.030 1
1147 108 108 PRO HD2 H 3.816 0.030 2
1148 108 108 PRO HD3 H 3.748 0.030 2
1149 108 108 PRO C C 177.415 0.300 1
1150 108 108 PRO CA C 63.558 0.300 1
1151 108 108 PRO CB C 32.187 0.300 1
1152 108 108 PRO CG C 27.410 0.300 1
1153 108 108 PRO CD C 50.781 0.300 1
1154 109 109 SER H H 8.536 0.030 1
1155 109 109 SER C C 174.709 0.300 1
1156 109 109 SER CA C 58.399 0.300 1
1157 109 109 SER CB C 63.960 0.300 1
1158 109 109 SER N N 116.476 0.300 1
1159 110 110 GLY HA2 H 4.182 0.030 2
1160 110 110 GLY HA3 H 4.120 0.030 2
1161 110 110 GLY CA C 44.689 0.300 1
1162 111 111 PRO HA H 4.507 0.030 1
1163 111 111 PRO HB2 H 2.315 0.030 2
1164 111 111 PRO HB3 H 1.991 0.030 2
1165 111 111 PRO HG2 H 2.041 0.030 1
1166 111 111 PRO HG3 H 2.041 0.030 1
1167 111 111 PRO HD2 H 3.652 0.030 1
1168 111 111 PRO HD3 H 3.652 0.030 1
1169 111 111 PRO C C 177.173 0.300 1
1170 111 111 PRO CA C 63.259 0.300 1
1171 111 111 PRO CB C 32.232 0.300 1
1172 111 111 PRO CG C 27.171 0.300 1
1173 111 111 PRO CD C 49.832 0.300 1
1174 112 112 SER H H 8.431 0.030 1
1175 112 112 SER HA H 4.532 0.030 1
1176 112 112 SER HB2 H 3.943 0.030 1
1177 112 112 SER HB3 H 3.943 0.030 1
1178 112 112 SER C C 174.661 0.300 1
1179 112 112 SER CA C 58.365 0.300 1
1180 112 112 SER CB C 63.972 0.300 1
1181 112 112 SER N N 115.958 0.300 1
1182 113 113 SER H H 8.340 0.030 1
1183 113 113 SER HA H 4.521 0.030 1
1184 113 113 SER HB2 H 3.920 0.030 1
1185 113 113 SER HB3 H 3.920 0.030 1
1186 113 113 SER C C 173.959 0.300 1
1187 113 113 SER CA C 58.260 0.300 1
1188 113 113 SER CB C 64.136 0.300 1
1189 113 113 SER N N 117.886 0.300 1
1190 114 114 GLY H H 8.059 0.030 1
1191 114 114 GLY HA2 H 3.811 0.030 2
1192 114 114 GLY HA3 H 3.774 0.030 2
1193 114 114 GLY C C 179.017 0.300 1
1194 114 114 GLY CA C 46.243 0.300 1
1195 114 114 GLY N N 116.879 0.300 1
stop_
save_