data_11348
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the NEUZ domain in KIAA1787 protein
;
_BMRB_accession_number 11348
_BMRB_flat_file_name bmr11348.str
_Entry_type original
_Submission_date 2010-09-07
_Accession_date 2010-09-07
_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 He F. . .
2 Muto Y. . .
3 Inoue M. . .
4 Kigawa T. . .
5 Shirouzu M. . .
6 Terada T. . .
7 Yokoyama S. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 927
"13C chemical shifts" 706
"15N chemical shifts" 170
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-09-07 original author .
stop_
_Original_release_date 2011-09-07
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Structural and functional characterization of the NHR1 domain of the Drosophila
neuralized E3 ligase in the notch signaling pathway.
;
_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 He F. . .
2 Saito K. . .
3 Kobayashi N. . .
4 Harada T. . .
5 Watanabe S. . .
6 Kigawa T. . .
7 Guntert P. . .
8 Ohara O. . .
9 Tanaka A. . .
10 Unzai S. . .
11 Muto Y. . .
12 Yokoyama S. . .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_name_full 'Journal of Molecular Biology'
_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 'KIAA1787 protein'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'neuralized domain' $entity_1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'neuralized domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 170
_Mol_residue_sequence
;
GSSGSSGELHPRTGRLVSLS
ACGRTARRQQPGQEFNHGLV
LSREPLRDGRVFTVRIDRKV
NSWSGSIEIGVTALDPSVLD
FPSSATGLKGGSWVVSGCSV
LRDGRSVLEEYGQDLDQLGE
GDRVGVERTVAGELRLWVNG
RDCGVAATGLPPRVWAVVDL
YGKCTQITVL
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 GLU 9 LEU 10 HIS
11 PRO 12 ARG 13 THR 14 GLY 15 ARG
16 LEU 17 VAL 18 SER 19 LEU 20 SER
21 ALA 22 CYS 23 GLY 24 ARG 25 THR
26 ALA 27 ARG 28 ARG 29 GLN 30 GLN
31 PRO 32 GLY 33 GLN 34 GLU 35 PHE
36 ASN 37 HIS 38 GLY 39 LEU 40 VAL
41 LEU 42 SER 43 ARG 44 GLU 45 PRO
46 LEU 47 ARG 48 ASP 49 GLY 50 ARG
51 VAL 52 PHE 53 THR 54 VAL 55 ARG
56 ILE 57 ASP 58 ARG 59 LYS 60 VAL
61 ASN 62 SER 63 TRP 64 SER 65 GLY
66 SER 67 ILE 68 GLU 69 ILE 70 GLY
71 VAL 72 THR 73 ALA 74 LEU 75 ASP
76 PRO 77 SER 78 VAL 79 LEU 80 ASP
81 PHE 82 PRO 83 SER 84 SER 85 ALA
86 THR 87 GLY 88 LEU 89 LYS 90 GLY
91 GLY 92 SER 93 TRP 94 VAL 95 VAL
96 SER 97 GLY 98 CYS 99 SER 100 VAL
101 LEU 102 ARG 103 ASP 104 GLY 105 ARG
106 SER 107 VAL 108 LEU 109 GLU 110 GLU
111 TYR 112 GLY 113 GLN 114 ASP 115 LEU
116 ASP 117 GLN 118 LEU 119 GLY 120 GLU
121 GLY 122 ASP 123 ARG 124 VAL 125 GLY
126 VAL 127 GLU 128 ARG 129 THR 130 VAL
131 ALA 132 GLY 133 GLU 134 LEU 135 ARG
136 LEU 137 TRP 138 VAL 139 ASN 140 GLY
141 ARG 142 ASP 143 CYS 144 GLY 145 VAL
146 ALA 147 ALA 148 THR 149 GLY 150 LEU
151 PRO 152 PRO 153 ARG 154 VAL 155 TRP
156 ALA 157 VAL 158 VAL 159 ASP 160 LEU
161 TYR 162 GLY 163 LYS 164 CYS 165 THR
166 GLN 167 ILE 168 THR 169 VAL 170 LEU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-09-16
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 2E63 "Solution Structure Of The Neuz Domain In Kiaa1787 Protein" 100.00 170 100.00 100.00 6.22e-115
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 P060508-08
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;}
90% H2O, 10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.0 mM '[U-13C; U-15N]'
d-Tris-HCl 20 mM 'natural abundance'
NaCl 100 mM 'natural abundance'
d-DTT 1 mM 'natural abundance'
NaN3 0.02 % 'natural abundance'
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Saveframe_category software
_Name xwinnmr
_Version 2.6
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 20031121
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 0.9819
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.1
loop_
_Vendor
_Address
_Electronic_address
'Guntert P.' . .
stop_
loop_
_Task
refinement
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 120 0.1 mM
pH 7.0 0.05 pH
pressure 1 0.001 atm
temperature 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
$XWINNMR
$NMRPipe
$NMRView
$Kujira
$CYANA
stop_
loop_
_Experiment_label
'3D 15N-separated NOESY'
'3D 13C-separated NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $reference_1
_Mol_system_component_name 'neuralized domain'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 5 5 SER H H 8.428 0.030 1
2 5 5 SER HA H 4.570 0.030 1
3 5 5 SER HB2 H 3.898 0.030 2
4 5 5 SER HB3 H 3.835 0.030 2
5 5 5 SER C C 175.132 0.300 1
6 5 5 SER CA C 58.576 0.300 1
7 5 5 SER CB C 64.169 0.300 1
8 6 6 SER H H 9.317 0.030 1
9 6 6 SER HA H 4.464 0.030 1
10 6 6 SER HB2 H 3.974 0.030 2
11 6 6 SER HB3 H 3.819 0.030 2
12 6 6 SER C C 174.392 0.300 1
13 6 6 SER CA C 59.548 0.300 1
14 6 6 SER CB C 63.916 0.300 1
15 6 6 SER N N 119.460 0.300 1
16 7 7 GLY H H 8.090 0.030 1
17 7 7 GLY HA2 H 4.096 0.030 1
18 7 7 GLY HA3 H 4.096 0.030 1
19 7 7 GLY C C 171.704 0.300 1
20 7 7 GLY CA C 45.127 0.300 1
21 7 7 GLY N N 109.402 0.300 1
22 8 8 GLU H H 8.012 0.030 1
23 8 8 GLU HA H 4.512 0.030 1
24 8 8 GLU HB2 H 2.217 0.030 2
25 8 8 GLU HB3 H 1.920 0.030 2
26 8 8 GLU HG2 H 2.379 0.030 2
27 8 8 GLU HG3 H 2.259 0.030 2
28 8 8 GLU C C 175.807 0.300 1
29 8 8 GLU CA C 55.529 0.300 1
30 8 8 GLU CB C 33.270 0.300 1
31 8 8 GLU CG C 36.395 0.300 1
32 8 8 GLU N N 116.550 0.300 1
33 9 9 LEU H H 8.680 0.030 1
34 9 9 LEU HA H 5.196 0.030 1
35 9 9 LEU HB2 H 1.427 0.030 2
36 9 9 LEU HB3 H 1.849 0.030 2
37 9 9 LEU HD1 H 0.667 0.030 1
38 9 9 LEU HD2 H 0.771 0.030 1
39 9 9 LEU HG H 1.811 0.030 1
40 9 9 LEU C C 176.203 0.300 1
41 9 9 LEU CA C 53.581 0.300 1
42 9 9 LEU CB C 42.387 0.300 1
43 9 9 LEU CD1 C 26.065 0.300 2
44 9 9 LEU CD2 C 22.349 0.300 2
45 9 9 LEU CG C 27.214 0.300 1
46 9 9 LEU N N 120.920 0.300 1
47 10 10 HIS H H 9.504 0.030 1
48 10 10 HIS HA H 4.027 0.030 1
49 10 10 HIS HB2 H 3.028 0.030 2
50 10 10 HIS HB3 H 3.304 0.030 2
51 10 10 HIS HD2 H 7.507 0.030 1
52 10 10 HIS HE1 H 7.645 0.030 1
53 10 10 HIS C C 173.589 0.300 1
54 10 10 HIS CA C 57.402 0.300 1
55 10 10 HIS CB C 30.871 0.300 1
56 10 10 HIS CD2 C 117.429 0.300 1
57 10 10 HIS CE1 C 137.238 0.300 1
58 10 10 HIS N N 125.592 0.300 1
59 11 11 PRO HA H 4.193 0.030 1
60 11 11 PRO HB2 H 1.837 0.030 2
61 11 11 PRO HB3 H 2.167 0.030 2
62 11 11 PRO HD2 H 3.157 0.030 2
63 11 11 PRO HD3 H 2.087 0.030 2
64 11 11 PRO HG2 H 1.776 0.030 2
65 11 11 PRO HG3 H 1.704 0.030 2
66 11 11 PRO C C 178.287 0.300 1
67 11 11 PRO CA C 63.971 0.300 1
68 11 11 PRO CB C 32.019 0.300 1
69 11 11 PRO CD C 49.894 0.300 1
70 11 11 PRO CG C 27.443 0.300 1
71 12 12 ARG H H 10.953 0.030 1
72 12 12 ARG HA H 4.351 0.030 1
73 12 12 ARG HB2 H 2.082 0.030 2
74 12 12 ARG HB3 H 1.866 0.030 2
75 12 12 ARG HD2 H 3.396 0.030 1
76 12 12 ARG HD3 H 3.396 0.030 1
77 12 12 ARG HG2 H 1.917 0.030 2
78 12 12 ARG HG3 H 1.534 0.030 2
79 12 12 ARG C C 173.807 0.300 1
80 12 12 ARG CA C 57.965 0.300 1
81 12 12 ARG CB C 28.754 0.300 1
82 12 12 ARG CD C 43.446 0.300 1
83 12 12 ARG CG C 29.615 0.300 1
84 12 12 ARG N N 124.643 0.300 1
85 13 13 THR H H 7.283 0.030 1
86 13 13 THR HA H 4.670 0.030 1
87 13 13 THR HB H 4.255 0.030 1
88 13 13 THR HG2 H 1.229 0.030 1
89 13 13 THR C C 174.877 0.300 1
90 13 13 THR CA C 59.419 0.300 1
91 13 13 THR CB C 74.160 0.300 1
92 13 13 THR CG2 C 20.046 0.300 1
93 13 13 THR N N 110.661 0.300 1
94 14 14 GLY H H 9.702 0.030 1
95 14 14 GLY HA2 H 3.677 0.030 1
96 14 14 GLY HA3 H 3.677 0.030 1
97 14 14 GLY C C 176.960 0.300 1
98 14 14 GLY CA C 45.417 0.300 1
99 14 14 GLY N N 106.471 0.300 1
100 15 15 ARG H H 9.469 0.030 1
101 15 15 ARG HA H 4.097 0.030 1
102 15 15 ARG HB2 H 1.777 0.030 2
103 15 15 ARG HB3 H 1.623 0.030 2
104 15 15 ARG HD2 H 2.886 0.030 2
105 15 15 ARG HD3 H 2.791 0.030 2
106 15 15 ARG HG2 H 1.507 0.030 2
107 15 15 ARG HG3 H 1.379 0.030 2
108 15 15 ARG C C 177.238 0.300 1
109 15 15 ARG CA C 59.115 0.300 1
110 15 15 ARG CB C 30.262 0.300 1
111 15 15 ARG CD C 43.238 0.300 1
112 15 15 ARG CG C 26.802 0.300 1
113 16 16 LEU H H 8.426 0.030 1
114 16 16 LEU HA H 4.667 0.030 1
115 16 16 LEU HB2 H 1.773 0.030 2
116 16 16 LEU HB3 H 1.721 0.030 2
117 16 16 LEU HD1 H 0.850 0.030 1
118 16 16 LEU HD2 H 0.724 0.030 1
119 16 16 LEU HG H 1.255 0.030 1
120 16 16 LEU C C 175.573 0.300 1
121 16 16 LEU CA C 53.363 0.300 1
122 16 16 LEU CB C 40.247 0.300 1
123 16 16 LEU CD1 C 25.488 0.300 2
124 16 16 LEU CD2 C 23.113 0.300 2
125 16 16 LEU CG C 27.348 0.300 1
126 16 16 LEU N N 117.853 0.300 1
127 17 17 VAL H H 7.201 0.030 1
128 17 17 VAL HA H 4.621 0.030 1
129 17 17 VAL HB H 1.926 0.030 1
130 17 17 VAL HG1 H 0.951 0.030 1
131 17 17 VAL HG2 H 0.764 0.030 1
132 17 17 VAL C C 176.563 0.300 1
133 17 17 VAL CA C 62.607 0.300 1
134 17 17 VAL CB C 32.859 0.300 1
135 17 17 VAL CG1 C 22.408 0.300 2
136 17 17 VAL CG2 C 22.267 0.300 2
137 17 17 VAL N N 119.890 0.300 1
138 18 18 SER H H 9.137 0.030 1
139 18 18 SER HA H 4.802 0.030 1
140 18 18 SER HB2 H 3.726 0.030 2
141 18 18 SER HB3 H 3.568 0.030 2
142 18 18 SER C C 173.807 0.300 1
143 18 18 SER CA C 56.959 0.300 1
144 18 18 SER CB C 64.610 0.300 1
145 18 18 SER N N 121.682 0.300 1
146 19 19 LEU H H 9.010 0.030 1
147 19 19 LEU HA H 5.143 0.030 1
148 19 19 LEU HB2 H 1.631 0.030 1
149 19 19 LEU HB3 H 1.631 0.030 1
150 19 19 LEU HD1 H 0.811 0.030 1
151 19 19 LEU HD2 H 0.880 0.030 1
152 19 19 LEU HG H 1.781 0.030 1
153 19 19 LEU C C 177.340 0.300 1
154 19 19 LEU CA C 53.341 0.300 1
155 19 19 LEU CB C 45.099 0.300 1
156 19 19 LEU CD1 C 25.173 0.300 2
157 19 19 LEU CD2 C 25.655 0.300 2
158 19 19 LEU CG C 26.751 0.300 1
159 19 19 LEU N N 128.845 0.300 1
160 20 20 SER H H 8.915 0.030 1
161 20 20 SER HA H 4.432 0.030 1
162 20 20 SER HB2 H 3.924 0.030 1
163 20 20 SER HB3 H 3.924 0.030 1
164 20 20 SER C C 175.917 0.300 1
165 20 20 SER CA C 58.191 0.300 1
166 20 20 SER CB C 63.748 0.300 1
167 20 20 SER N N 119.087 0.300 1
168 21 21 ALA H H 9.201 0.030 1
169 21 21 ALA HA H 4.134 0.030 1
170 21 21 ALA HB H 1.480 0.030 1
171 21 21 ALA CA C 54.732 0.300 1
172 21 21 ALA CB C 18.085 0.300 1
173 22 22 CYS HA H 4.406 0.030 1
174 22 22 CYS HB2 H 3.151 0.030 2
175 22 22 CYS HB3 H 2.950 0.030 2
176 22 22 CYS C C 176.561 0.300 1
177 22 22 CYS CA C 58.037 0.300 1
178 22 22 CYS CB C 29.329 0.300 1
179 23 23 GLY H H 7.891 0.030 1
180 23 23 GLY HA2 H 4.322 0.030 2
181 23 23 GLY HA3 H 3.579 0.030 2
182 23 23 GLY C C 173.821 0.300 1
183 23 23 GLY CA C 46.296 0.300 1
184 23 23 GLY N N 110.287 0.300 1
185 24 24 ARG H H 8.396 0.030 1
186 24 24 ARG HA H 4.580 0.030 1
187 24 24 ARG HB2 H 2.174 0.030 1
188 24 24 ARG HB3 H 2.174 0.030 1
189 24 24 ARG HD2 H 3.238 0.030 1
190 24 24 ARG HD3 H 3.238 0.030 1
191 24 24 ARG HE H 7.303 0.030 1
192 24 24 ARG HG2 H 1.797 0.030 2
193 24 24 ARG HG3 H 1.616 0.030 2
194 24 24 ARG C C 174.951 0.300 1
195 24 24 ARG CA C 56.909 0.300 1
196 24 24 ARG CB C 31.982 0.300 1
197 24 24 ARG CD C 43.496 0.300 1
198 24 24 ARG CG C 28.470 0.300 1
199 24 24 ARG NE N 85.137 0.300 1
200 25 25 THR H H 8.040 0.030 1
201 25 25 THR HA H 5.491 0.030 1
202 25 25 THR HB H 3.672 0.030 1
203 25 25 THR HG2 H 1.207 0.030 1
204 25 25 THR C C 172.117 0.300 1
205 25 25 THR CA C 61.797 0.300 1
206 25 25 THR CB C 71.753 0.300 1
207 25 25 THR CG2 C 21.664 0.300 1
208 25 25 THR N N 115.821 0.300 1
209 26 26 ALA H H 8.835 0.030 1
210 26 26 ALA HA H 5.296 0.030 1
211 26 26 ALA HB H 1.182 0.030 1
212 26 26 ALA C C 174.231 0.300 1
213 26 26 ALA CA C 49.602 0.300 1
214 26 26 ALA CB C 24.106 0.300 1
215 26 26 ALA N N 128.450 0.300 1
216 27 27 ARG H H 8.542 0.030 1
217 27 27 ARG HA H 5.474 0.030 1
218 27 27 ARG HB2 H 1.905 0.030 2
219 27 27 ARG HB3 H 1.742 0.030 2
220 27 27 ARG HD2 H 3.139 0.030 1
221 27 27 ARG HD3 H 3.139 0.030 1
222 27 27 ARG HG2 H 1.676 0.030 2
223 27 27 ARG HG3 H 1.429 0.030 2
224 27 27 ARG C C 174.095 0.300 1
225 27 27 ARG CA C 53.606 0.300 1
226 27 27 ARG CB C 34.395 0.300 1
227 27 27 ARG CD C 43.495 0.300 1
228 27 27 ARG CG C 27.122 0.300 1
229 27 27 ARG N N 118.558 0.300 1
230 28 28 ARG H H 8.667 0.030 1
231 28 28 ARG HA H 4.740 0.030 1
232 28 28 ARG HB2 H 1.766 0.030 2
233 28 28 ARG HB3 H 1.895 0.030 2
234 28 28 ARG HD2 H 3.550 0.030 2
235 28 28 ARG HD3 H 3.278 0.030 2
236 28 28 ARG HE H 6.967 0.030 1
237 28 28 ARG HG2 H 1.257 0.030 1
238 28 28 ARG HG3 H 1.257 0.030 1
239 28 28 ARG C C 175.817 0.300 1
240 28 28 ARG CA C 55.814 0.300 1
241 28 28 ARG CB C 32.470 0.300 1
242 28 28 ARG CD C 42.028 0.300 1
243 28 28 ARG CG C 30.992 0.300 1
244 28 28 ARG N N 123.702 0.300 1
245 29 29 GLN H H 9.277 0.030 1
246 29 29 GLN HA H 4.111 0.030 1
247 29 29 GLN HB2 H 2.240 0.030 1
248 29 29 GLN HB3 H 2.240 0.030 1
249 29 29 GLN HE21 H 7.503 0.030 2
250 29 29 GLN HE22 H 6.825 0.030 2
251 29 29 GLN HG2 H 2.359 0.030 2
252 29 29 GLN HG3 H 2.269 0.030 2
253 29 29 GLN C C 173.026 0.300 1
254 29 29 GLN CA C 56.054 0.300 1
255 29 29 GLN CB C 28.800 0.300 1
256 29 29 GLN CG C 34.362 0.300 1
257 29 29 GLN N N 127.344 0.300 1
258 29 29 GLN NE2 N 111.496 0.300 1
259 30 30 GLN H H 8.506 0.030 1
260 30 30 GLN HA H 4.116 0.030 1
261 30 30 GLN HB2 H 2.125 0.030 2
262 30 30 GLN HB3 H 1.913 0.030 2
263 30 30 GLN HE21 H 6.839 0.030 2
264 30 30 GLN HE22 H 6.799 0.030 2
265 30 30 GLN HG2 H 2.353 0.030 2
266 30 30 GLN HG3 H 2.265 0.030 2
267 30 30 GLN C C 175.449 0.300 1
268 30 30 GLN CA C 56.019 0.300 1
269 30 30 GLN CB C 30.430 0.300 1
270 30 30 GLN CG C 34.338 0.300 1
271 30 30 GLN N N 108.721 0.300 1
272 30 30 GLN NE2 N 110.431 0.300 1
273 31 31 PRO HA H 4.572 0.030 1
274 31 31 PRO HB2 H 2.139 0.030 2
275 31 31 PRO HB3 H 2.101 0.030 2
276 31 31 PRO HD2 H 4.038 0.030 2
277 31 31 PRO HD3 H 3.762 0.030 2
278 31 31 PRO HG2 H 2.160 0.030 2
279 31 31 PRO HG3 H 2.015 0.030 2
280 31 31 PRO C C 177.374 0.300 1
281 31 31 PRO CA C 65.305 0.300 1
282 31 31 PRO CB C 32.109 0.300 1
283 31 31 PRO CD C 50.773 0.300 1
284 31 31 PRO CG C 27.533 0.300 1
285 32 32 GLY H H 8.790 0.030 1
286 32 32 GLY HA2 H 4.243 0.030 2
287 32 32 GLY HA3 H 3.740 0.030 2
288 32 32 GLY C C 174.494 0.300 1
289 32 32 GLY CA C 45.350 0.300 1
290 32 32 GLY N N 106.726 0.300 1
291 33 33 GLN H H 8.218 0.030 1
292 33 33 GLN HA H 4.769 0.030 1
293 33 33 GLN HB2 H 2.323 0.030 2
294 33 33 GLN HB3 H 2.212 0.030 2
295 33 33 GLN HE21 H 7.753 0.030 2
296 33 33 GLN HE22 H 6.903 0.030 2
297 33 33 GLN HG2 H 2.467 0.030 2
298 33 33 GLN HG3 H 2.389 0.030 2
299 33 33 GLN C C 174.878 0.300 1
300 33 33 GLN CA C 56.891 0.300 1
301 33 33 GLN CB C 32.478 0.300 1
302 33 33 GLN CG C 34.572 0.300 1
303 33 33 GLN N N 119.026 0.300 1
304 33 33 GLN NE2 N 112.976 0.300 1
305 34 34 GLU H H 8.642 0.030 1
306 34 34 GLU HA H 4.657 0.030 1
307 34 34 GLU HB2 H 1.816 0.030 1
308 34 34 GLU HB3 H 1.816 0.030 1
309 34 34 GLU HG2 H 2.219 0.030 1
310 34 34 GLU HG3 H 2.219 0.030 1
311 34 34 GLU C C 176.332 0.300 1
312 34 34 GLU CA C 54.308 0.300 1
313 34 34 GLU CB C 31.911 0.300 1
314 34 34 GLU CG C 34.527 0.300 1
315 34 34 GLU N N 119.268 0.300 1
316 35 35 PHE H H 7.835 0.030 1
317 35 35 PHE HA H 3.712 0.030 1
318 35 35 PHE HB2 H 1.662 0.030 2
319 35 35 PHE HB3 H -0.192 0.030 2
320 35 35 PHE HD1 H 6.376 0.030 1
321 35 35 PHE HD2 H 6.376 0.030 1
322 35 35 PHE HE1 H 7.311 0.030 1
323 35 35 PHE HE2 H 7.311 0.030 1
324 35 35 PHE C C 171.525 0.300 1
325 35 35 PHE CA C 54.916 0.300 1
326 35 35 PHE CB C 38.709 0.300 1
327 35 35 PHE CD1 C 132.492 0.300 1
328 35 35 PHE CD2 C 132.492 0.300 1
329 35 35 PHE CE1 C 131.543 0.300 1
330 35 35 PHE CE2 C 131.543 0.300 1
331 35 35 PHE N N 117.453 0.300 1
332 36 36 ASN H H 6.628 0.030 1
333 36 36 ASN HA H 5.213 0.030 1
334 36 36 ASN HB2 H 2.920 0.030 2
335 36 36 ASN HB3 H 2.235 0.030 2
336 36 36 ASN HD21 H 7.189 0.030 2
337 36 36 ASN HD22 H 6.483 0.030 2
338 36 36 ASN C C 172.080 0.300 1
339 36 36 ASN CA C 51.102 0.300 1
340 36 36 ASN CB C 38.157 0.300 1
341 36 36 ASN N N 121.655 0.300 1
342 36 36 ASN ND2 N 109.229 0.300 1
343 37 37 HIS H H 8.013 0.030 1
344 37 37 HIS HA H 4.195 0.030 1
345 37 37 HIS HB2 H 3.095 0.030 1
346 37 37 HIS HB3 H 3.095 0.030 1
347 37 37 HIS HD2 H 6.675 0.030 1
348 37 37 HIS HE1 H 8.202 0.030 1
349 37 37 HIS C C 176.318 0.300 1
350 37 37 HIS CA C 58.530 0.300 1
351 37 37 HIS CB C 28.438 0.300 1
352 37 37 HIS CD2 C 118.856 0.300 1
353 37 37 HIS CE1 C 137.477 0.300 1
354 37 37 HIS N N 107.159 0.300 1
355 38 38 GLY H H 9.624 0.030 1
356 38 38 GLY HA2 H 3.455 0.030 2
357 38 38 GLY HA3 H 4.157 0.030 2
358 38 38 GLY C C 175.376 0.300 1
359 38 38 GLY CA C 45.026 0.300 1
360 38 38 GLY N N 105.706 0.300 1
361 39 39 LEU H H 6.783 0.030 1
362 39 39 LEU HA H 4.567 0.030 1
363 39 39 LEU HB2 H 1.814 0.030 2
364 39 39 LEU HB3 H 1.457 0.030 2
365 39 39 LEU HD1 H 0.673 0.030 1
366 39 39 LEU HD2 H 0.611 0.030 1
367 39 39 LEU HG H 1.454 0.030 1
368 39 39 LEU C C 176.664 0.300 1
369 39 39 LEU CA C 57.200 0.300 1
370 39 39 LEU CB C 44.496 0.300 1
371 39 39 LEU CD1 C 25.216 0.300 2
372 39 39 LEU CD2 C 25.471 0.300 2
373 39 39 LEU CG C 27.862 0.300 1
374 39 39 LEU N N 118.019 0.300 1
375 40 40 VAL H H 9.155 0.030 1
376 40 40 VAL HA H 4.969 0.030 1
377 40 40 VAL HB H 2.343 0.030 1
378 40 40 VAL HG1 H 0.970 0.030 1
379 40 40 VAL HG2 H 0.821 0.030 1
380 40 40 VAL C C 173.448 0.300 1
381 40 40 VAL CA C 60.134 0.300 1
382 40 40 VAL CB C 35.910 0.300 1
383 40 40 VAL CG1 C 24.571 0.300 2
384 40 40 VAL CG2 C 20.198 0.300 2
385 40 40 VAL N N 114.938 0.300 1
386 41 41 LEU H H 9.846 0.030 1
387 41 41 LEU HA H 5.746 0.030 1
388 41 41 LEU HB2 H 1.992 0.030 2
389 41 41 LEU HB3 H 1.251 0.030 2
390 41 41 LEU HD1 H 0.544 0.030 1
391 41 41 LEU HD2 H 0.681 0.030 1
392 41 41 LEU HG H 1.896 0.030 1
393 41 41 LEU C C 177.435 0.300 1
394 41 41 LEU CA C 54.198 0.300 1
395 41 41 LEU CB C 46.698 0.300 1
396 41 41 LEU CD1 C 28.312 0.300 2
397 41 41 LEU CD2 C 26.299 0.300 2
398 41 41 LEU CG C 29.846 0.300 1
399 41 41 LEU N N 121.738 0.300 1
400 42 42 SER H H 8.421 0.030 1
401 42 42 SER HA H 4.472 0.030 1
402 42 42 SER HB2 H 4.511 0.030 2
403 42 42 SER HB3 H 3.083 0.030 2
404 42 42 SER C C 173.537 0.300 1
405 42 42 SER CA C 58.932 0.300 1
406 42 42 SER CB C 64.045 0.300 1
407 42 42 SER N N 113.755 0.300 1
408 43 43 ARG H H 8.627 0.030 1
409 43 43 ARG HA H 4.186 0.030 1
410 43 43 ARG HB2 H 1.945 0.030 2
411 43 43 ARG HB3 H 1.435 0.030 2
412 43 43 ARG HD2 H 3.208 0.030 1
413 43 43 ARG HD3 H 3.208 0.030 1
414 43 43 ARG HG2 H 1.889 0.030 2
415 43 43 ARG HG3 H 1.517 0.030 2
416 43 43 ARG C C 176.771 0.300 1
417 43 43 ARG CA C 59.392 0.300 1
418 43 43 ARG CB C 31.017 0.300 1
419 43 43 ARG CD C 43.491 0.300 1
420 43 43 ARG CG C 28.491 0.300 1
421 43 43 ARG N N 120.137 0.300 1
422 44 44 GLU H H 8.228 0.030 1
423 44 44 GLU HA H 5.018 0.030 1
424 44 44 GLU HB2 H 2.161 0.030 2
425 44 44 GLU HB3 H 1.807 0.030 2
426 44 44 GLU HG2 H 2.309 0.030 1
427 44 44 GLU HG3 H 2.309 0.030 1
428 44 44 GLU C C 173.679 0.300 1
429 44 44 GLU CA C 52.828 0.300 1
430 44 44 GLU CB C 31.352 0.300 1
431 44 44 GLU CG C 36.348 0.300 1
432 44 44 GLU N N 114.973 0.300 1
433 45 45 PRO HA H 3.562 0.030 1
434 45 45 PRO HB2 H 1.348 0.030 2
435 45 45 PRO HB3 H 0.868 0.030 2
436 45 45 PRO HD2 H 3.729 0.030 2
437 45 45 PRO HD3 H 3.573 0.030 2
438 45 45 PRO HG2 H 1.545 0.030 2
439 45 45 PRO HG3 H 0.848 0.030 2
440 45 45 PRO C C 176.636 0.300 1
441 45 45 PRO CA C 62.044 0.300 1
442 45 45 PRO CB C 31.426 0.300 1
443 45 45 PRO CD C 50.331 0.300 1
444 45 45 PRO CG C 26.463 0.300 1
445 46 46 LEU H H 8.856 0.030 1
446 46 46 LEU HA H 4.202 0.030 1
447 46 46 LEU HB2 H 1.805 0.030 2
448 46 46 LEU HB3 H 1.416 0.030 2
449 46 46 LEU HD1 H 0.767 0.030 1
450 46 46 LEU HD2 H 0.958 0.030 1
451 46 46 LEU HG H 1.618 0.030 1
452 46 46 LEU C C 177.869 0.300 1
453 46 46 LEU CA C 54.884 0.300 1
454 46 46 LEU CB C 40.765 0.300 1
455 46 46 LEU CD1 C 26.082 0.300 2
456 46 46 LEU CD2 C 22.629 0.300 2
457 46 46 LEU CG C 27.170 0.300 1
458 46 46 LEU N N 119.918 0.300 1
459 47 47 ARG H H 8.952 0.030 1
460 47 47 ARG HA H 4.491 0.030 1
461 47 47 ARG HB2 H 1.633 0.030 2
462 47 47 ARG HB3 H 1.791 0.030 2
463 47 47 ARG HD2 H 3.155 0.030 1
464 47 47 ARG HD3 H 3.155 0.030 1
465 47 47 ARG HG2 H 1.712 0.030 2
466 47 47 ARG HG3 H 1.668 0.030 2
467 47 47 ARG C C 176.722 0.300 1
468 47 47 ARG CA C 54.207 0.300 1
469 47 47 ARG CB C 31.369 0.300 1
470 47 47 ARG CD C 43.413 0.300 1
471 47 47 ARG CG C 27.209 0.300 1
472 47 47 ARG N N 122.319 0.300 1
473 48 48 ASP H H 8.649 0.030 1
474 48 48 ASP HA H 4.698 0.030 1
475 48 48 ASP HB2 H 2.228 0.030 2
476 48 48 ASP HB3 H 2.428 0.030 2
477 48 48 ASP C C 178.768 0.300 1
478 48 48 ASP CA C 55.362 0.300 1
479 48 48 ASP CB C 40.533 0.300 1
480 48 48 ASP N N 125.722 0.300 1
481 49 49 GLY H H 9.413 0.030 1
482 49 49 GLY HA2 H 4.574 0.030 2
483 49 49 GLY HA3 H 3.941 0.030 2
484 49 49 GLY C C 173.529 0.300 1
485 49 49 GLY CA C 45.759 0.300 1
486 49 49 GLY N N 109.759 0.300 1
487 50 50 ARG H H 7.708 0.030 1
488 50 50 ARG HA H 4.591 0.030 1
489 50 50 ARG HB2 H 1.904 0.030 2
490 50 50 ARG HB3 H 1.751 0.030 2
491 50 50 ARG HD2 H 3.138 0.030 1
492 50 50 ARG HD3 H 3.138 0.030 1
493 50 50 ARG HG2 H 1.546 0.030 2
494 50 50 ARG HG3 H 1.439 0.030 2
495 50 50 ARG C C 175.483 0.300 1
496 50 50 ARG CA C 54.071 0.300 1
497 50 50 ARG CB C 29.893 0.300 1
498 50 50 ARG CD C 43.249 0.300 1
499 50 50 ARG CG C 26.712 0.300 1
500 50 50 ARG N N 120.362 0.300 1
501 51 51 VAL H H 8.574 0.030 1
502 51 51 VAL HA H 3.804 0.030 1
503 51 51 VAL HB H 1.392 0.030 1
504 51 51 VAL HG1 H 0.357 0.030 1
505 51 51 VAL HG2 H -0.031 0.030 1
506 51 51 VAL C C 175.713 0.300 1
507 51 51 VAL CA C 63.124 0.300 1
508 51 51 VAL CB C 31.575 0.300 1
509 51 51 VAL CG1 C 21.670 0.300 2
510 51 51 VAL CG2 C 21.002 0.300 2
511 51 51 VAL N N 129.132 0.300 1
512 52 52 PHE H H 9.149 0.030 1
513 52 52 PHE HA H 4.563 0.030 1
514 52 52 PHE HB2 H 3.305 0.030 2
515 52 52 PHE HB3 H 3.014 0.030 2
516 52 52 PHE HD1 H 7.246 0.030 1
517 52 52 PHE HD2 H 7.246 0.030 1
518 52 52 PHE HE1 H 7.072 0.030 1
519 52 52 PHE HE2 H 7.072 0.030 1
520 52 52 PHE HZ H 6.902 0.030 1
521 52 52 PHE C C 173.979 0.300 1
522 52 52 PHE CA C 58.005 0.300 1
523 52 52 PHE CB C 40.227 0.300 1
524 52 52 PHE CD1 C 132.340 0.300 1
525 52 52 PHE CD2 C 132.340 0.300 1
526 52 52 PHE CE1 C 130.684 0.300 1
527 52 52 PHE CE2 C 130.684 0.300 1
528 52 52 PHE CZ C 128.954 0.300 1
529 52 52 PHE N N 134.543 0.300 1
530 53 53 THR H H 8.475 0.030 1
531 53 53 THR HA H 4.879 0.030 1
532 53 53 THR HB H 3.637 0.030 1
533 53 53 THR HG2 H 0.970 0.030 1
534 53 53 THR C C 172.886 0.300 1
535 53 53 THR CA C 62.512 0.300 1
536 53 53 THR CB C 69.860 0.300 1
537 53 53 THR CG2 C 22.432 0.300 1
538 53 53 THR N N 124.712 0.300 1
539 54 54 VAL H H 9.168 0.030 1
540 54 54 VAL HA H 5.165 0.030 1
541 54 54 VAL HB H 2.004 0.030 1
542 54 54 VAL HG1 H 0.883 0.030 1
543 54 54 VAL HG2 H 0.914 0.030 1
544 54 54 VAL C C 172.682 0.300 1
545 54 54 VAL CA C 57.630 0.300 1
546 54 54 VAL CB C 34.468 0.300 1
547 54 54 VAL CG1 C 22.682 0.300 2
548 54 54 VAL CG2 C 18.798 0.300 2
549 54 54 VAL N N 117.627 0.300 1
550 55 55 ARG H H 9.397 0.030 1
551 55 55 ARG HA H 5.082 0.030 1
552 55 55 ARG HB2 H 1.894 0.030 2
553 55 55 ARG HB3 H 1.424 0.030 2
554 55 55 ARG HD2 H 3.195 0.030 2
555 55 55 ARG HD3 H 3.095 0.030 2
556 55 55 ARG HG2 H 1.391 0.030 1
557 55 55 ARG HG3 H 1.391 0.030 1
558 55 55 ARG C C 176.133 0.300 1
559 55 55 ARG CA C 53.304 0.300 1
560 55 55 ARG CB C 34.465 0.300 1
561 55 55 ARG CD C 43.835 0.300 1
562 55 55 ARG CG C 26.875 0.300 1
563 55 55 ARG N N 122.734 0.300 1
564 56 56 ILE H H 8.571 0.030 1
565 56 56 ILE HA H 4.069 0.030 1
566 56 56 ILE HB H 2.206 0.030 1
567 56 56 ILE HD1 H 0.893 0.030 1
568 56 56 ILE HG12 H 1.695 0.030 2
569 56 56 ILE HG13 H 1.040 0.030 2
570 56 56 ILE HG2 H 0.797 0.030 1
571 56 56 ILE C C 175.119 0.300 1
572 56 56 ILE CA C 62.409 0.300 1
573 56 56 ILE CB C 37.299 0.300 1
574 56 56 ILE CD1 C 14.644 0.300 1
575 56 56 ILE CG1 C 27.807 0.300 1
576 56 56 ILE CG2 C 17.410 0.300 1
577 56 56 ILE N N 123.943 0.300 1
578 57 57 ASP H H 8.846 0.030 1
579 57 57 ASP HA H 4.806 0.030 1
580 57 57 ASP HB2 H 2.621 0.030 2
581 57 57 ASP HB3 H 2.146 0.030 2
582 57 57 ASP C C 176.587 0.300 1
583 57 57 ASP CA C 55.518 0.300 1
584 57 57 ASP CB C 42.986 0.300 1
585 57 57 ASP N N 129.734 0.300 1
586 58 58 ARG H H 7.361 0.030 1
587 58 58 ARG HA H 4.891 0.030 1
588 58 58 ARG HB2 H 1.726 0.030 2
589 58 58 ARG HB3 H 1.613 0.030 2
590 58 58 ARG HD2 H 3.240 0.030 2
591 58 58 ARG HD3 H 3.185 0.030 2
592 58 58 ARG HG2 H 1.459 0.030 2
593 58 58 ARG HG3 H 1.395 0.030 2
594 58 58 ARG C C 173.734 0.300 1
595 58 58 ARG CA C 54.558 0.300 1
596 58 58 ARG CB C 34.367 0.300 1
597 58 58 ARG CD C 43.041 0.300 1
598 58 58 ARG CG C 27.122 0.300 1
599 58 58 ARG N N 116.217 0.300 1
600 59 59 LYS H H 9.297 0.030 1
601 59 59 LYS HA H 5.773 0.030 1
602 59 59 LYS HB2 H 1.930 0.030 2
603 59 59 LYS HB3 H 1.482 0.030 2
604 59 59 LYS HD2 H 1.911 0.030 2
605 59 59 LYS HD3 H 1.705 0.030 2
606 59 59 LYS HE2 H 3.257 0.030 2
607 59 59 LYS HE3 H 2.906 0.030 2
608 59 59 LYS HG2 H 1.474 0.030 2
609 59 59 LYS HG3 H 1.309 0.030 2
610 59 59 LYS C C 176.545 0.300 1
611 59 59 LYS CA C 53.848 0.300 1
612 59 59 LYS CB C 37.034 0.300 1
613 59 59 LYS CD C 30.429 0.300 1
614 59 59 LYS CE C 41.908 0.300 1
615 59 59 LYS CG C 25.497 0.300 1
616 59 59 LYS N N 124.211 0.300 1
617 60 60 VAL H H 9.422 0.030 1
618 60 60 VAL HA H 4.555 0.030 1
619 60 60 VAL HB H 2.231 0.030 1
620 60 60 VAL HG1 H 0.987 0.030 1
621 60 60 VAL HG2 H 1.023 0.030 1
622 60 60 VAL C C 175.861 0.300 1
623 60 60 VAL CA C 60.715 0.300 1
624 60 60 VAL CB C 34.033 0.300 1
625 60 60 VAL CG1 C 21.449 0.300 2
626 60 60 VAL CG2 C 20.659 0.300 2
627 60 60 VAL N N 120.548 0.300 1
628 61 61 ASN H H 8.569 0.030 1
629 61 61 ASN HA H 4.806 0.030 1
630 61 61 ASN HB2 H 2.720 0.030 2
631 61 61 ASN HB3 H 2.894 0.030 2
632 61 61 ASN HD21 H 7.566 0.030 2
633 61 61 ASN HD22 H 7.008 0.030 2
634 61 61 ASN C C 176.275 0.300 1
635 61 61 ASN CA C 54.242 0.300 1
636 61 61 ASN CB C 39.052 0.300 1
637 61 61 ASN N N 118.928 0.300 1
638 61 61 ASN ND2 N 112.960 0.300 1
639 62 62 SER H H 7.273 0.030 1
640 62 62 SER HA H 4.051 0.030 1
641 62 62 SER HB2 H 3.268 0.030 2
642 62 62 SER HB3 H 3.211 0.030 2
643 62 62 SER C C 172.997 0.300 1
644 62 62 SER CA C 59.032 0.300 1
645 62 62 SER CB C 62.822 0.300 1
646 62 62 SER N N 111.500 0.300 1
647 63 63 TRP H H 6.694 0.030 1
648 63 63 TRP HA H 4.873 0.030 1
649 63 63 TRP HB2 H 3.332 0.030 2
650 63 63 TRP HB3 H 2.624 0.030 2
651 63 63 TRP HD1 H 6.673 0.030 1
652 63 63 TRP HE1 H 10.409 0.030 1
653 63 63 TRP HE3 H 7.594 0.030 1
654 63 63 TRP HH2 H 7.091 0.030 1
655 63 63 TRP HZ2 H 6.835 0.030 1
656 63 63 TRP HZ3 H 7.036 0.030 1
657 63 63 TRP C C 175.005 0.300 1
658 63 63 TRP CA C 55.093 0.300 1
659 63 63 TRP CB C 32.472 0.300 1
660 63 63 TRP CD1 C 126.686 0.300 1
661 63 63 TRP CE3 C 121.524 0.300 1
662 63 63 TRP CH2 C 124.424 0.300 1
663 63 63 TRP CZ2 C 114.701 0.300 1
664 63 63 TRP CZ3 C 122.556 0.300 1
665 63 63 TRP N N 116.789 0.300 1
666 63 63 TRP NE1 N 126.386 0.300 1
667 64 64 SER H H 8.582 0.030 1
668 64 64 SER HA H 4.593 0.030 1
669 64 64 SER HB2 H 3.877 0.030 2
670 64 64 SER HB3 H 3.853 0.030 2
671 64 64 SER C C 174.819 0.300 1
672 64 64 SER CA C 58.846 0.300 1
673 64 64 SER CB C 63.798 0.300 1
674 64 64 SER N N 114.768 0.300 1
675 65 65 GLY H H 8.403 0.030 1
676 65 65 GLY HA2 H 4.418 0.030 2
677 65 65 GLY HA3 H 3.999 0.030 2
678 65 65 GLY C C 172.746 0.300 1
679 65 65 GLY CA C 44.342 0.300 1
680 65 65 GLY N N 111.480 0.300 1
681 66 66 SER H H 8.282 0.030 1
682 66 66 SER HA H 5.219 0.030 1
683 66 66 SER HB2 H 4.181 0.030 2
684 66 66 SER HB3 H 3.840 0.030 2
685 66 66 SER C C 173.508 0.300 1
686 66 66 SER CA C 54.877 0.300 1
687 66 66 SER CB C 65.171 0.300 1
688 66 66 SER N N 115.568 0.300 1
689 67 67 ILE H H 8.276 0.030 1
690 67 67 ILE HA H 4.633 0.030 1
691 67 67 ILE HB H 2.059 0.030 1
692 67 67 ILE HD1 H 0.835 0.030 1
693 67 67 ILE HG12 H 1.882 0.030 2
694 67 67 ILE HG13 H 0.996 0.030 2
695 67 67 ILE HG2 H 1.059 0.030 1
696 67 67 ILE C C 172.038 0.300 1
697 67 67 ILE CA C 61.000 0.300 1
698 67 67 ILE CB C 40.397 0.300 1
699 67 67 ILE CD1 C 14.109 0.300 1
700 67 67 ILE CG1 C 29.440 0.300 1
701 67 67 ILE CG2 C 15.162 0.300 1
702 67 67 ILE N N 118.670 0.300 1
703 68 68 GLU H H 7.605 0.030 1
704 68 68 GLU HA H 5.214 0.030 1
705 68 68 GLU HB2 H 1.973 0.030 2
706 68 68 GLU HB3 H 1.886 0.030 2
707 68 68 GLU HG2 H 2.788 0.030 2
708 68 68 GLU HG3 H 2.440 0.030 2
709 68 68 GLU C C 174.665 0.300 1
710 68 68 GLU CA C 53.312 0.300 1
711 68 68 GLU CB C 31.071 0.300 1
712 68 68 GLU CG C 33.952 0.300 1
713 68 68 GLU N N 121.403 0.300 1
714 69 69 ILE H H 8.183 0.030 1
715 69 69 ILE HA H 5.567 0.030 1
716 69 69 ILE HB H 1.668 0.030 1
717 69 69 ILE HD1 H 1.008 0.030 1
718 69 69 ILE HG12 H 2.333 0.030 2
719 69 69 ILE HG13 H 1.361 0.030 2
720 69 69 ILE HG2 H 0.908 0.030 1
721 69 69 ILE C C 172.615 0.300 1
722 69 69 ILE CA C 58.631 0.300 1
723 69 69 ILE CB C 42.989 0.300 1
724 69 69 ILE CD1 C 15.166 0.300 1
725 69 69 ILE CG1 C 28.389 0.300 1
726 69 69 ILE CG2 C 16.096 0.300 1
727 69 69 ILE N N 120.115 0.300 1
728 70 70 GLY H H 8.944 0.030 1
729 70 70 GLY HA2 H 5.258 0.030 2
730 70 70 GLY HA3 H 3.883 0.030 2
731 70 70 GLY C C 172.439 0.300 1
732 70 70 GLY CA C 46.092 0.300 1
733 70 70 GLY N N 112.400 0.300 1
734 71 71 VAL H H 9.483 0.030 1
735 71 71 VAL HA H 5.800 0.030 1
736 71 71 VAL HB H 2.022 0.030 1
737 71 71 VAL HG1 H 0.740 0.030 1
738 71 71 VAL HG2 H 0.886 0.030 1
739 71 71 VAL C C 174.206 0.300 1
740 71 71 VAL CA C 58.311 0.300 1
741 71 71 VAL CB C 36.831 0.300 1
742 71 71 VAL CG1 C 23.220 0.300 2
743 71 71 VAL CG2 C 19.914 0.300 2
744 71 71 VAL N N 112.859 0.300 1
745 72 72 THR H H 9.446 0.030 1
746 72 72 THR HA H 5.647 0.030 1
747 72 72 THR HB H 3.881 0.030 1
748 72 72 THR HG2 H 1.192 0.030 1
749 72 72 THR C C 171.823 0.300 1
750 72 72 THR CA C 59.820 0.300 1
751 72 72 THR CB C 69.825 0.300 1
752 72 72 THR CG2 C 19.432 0.300 1
753 72 72 THR N N 114.206 0.300 1
754 73 73 ALA H H 9.035 0.030 1
755 73 73 ALA HA H 5.089 0.030 1
756 73 73 ALA HB H 1.825 0.030 1
757 73 73 ALA C C 177.674 0.300 1
758 73 73 ALA CA C 52.456 0.300 1
759 73 73 ALA CB C 19.598 0.300 1
760 73 73 ALA N N 129.150 0.300 1
761 74 74 LEU H H 8.525 0.030 1
762 74 74 LEU HA H 3.879 0.030 1
763 74 74 LEU HB2 H 1.617 0.030 2
764 74 74 LEU HB3 H 0.844 0.030 2
765 74 74 LEU HD1 H 0.640 0.030 1
766 74 74 LEU HD2 H 0.695 0.030 1
767 74 74 LEU HG H 1.454 0.030 1
768 74 74 LEU C C 171.769 0.300 1
769 74 74 LEU CA C 54.558 0.300 1
770 74 74 LEU CB C 42.472 0.300 1
771 74 74 LEU CD1 C 26.840 0.300 2
772 74 74 LEU CD2 C 22.757 0.300 2
773 74 74 LEU CG C 26.191 0.300 1
774 74 74 LEU N N 122.886 0.300 1
775 75 75 ASP H H 6.927 0.030 1
776 75 75 ASP HA H 2.367 0.030 1
777 75 75 ASP HB2 H 2.423 0.030 2
778 75 75 ASP HB3 H 2.161 0.030 2
779 75 75 ASP C C 176.414 0.300 1
780 75 75 ASP CA C 49.213 0.300 1
781 75 75 ASP CB C 42.209 0.300 1
782 75 75 ASP N N 117.537 0.300 1
783 76 76 PRO HA H 3.508 0.030 1
784 76 76 PRO HB2 H 1.585 0.030 2
785 76 76 PRO HB3 H 0.483 0.030 2
786 76 76 PRO HD2 H 2.027 0.030 2
787 76 76 PRO HD3 H 1.941 0.030 2
788 76 76 PRO HG2 H 1.376 0.030 2
789 76 76 PRO HG3 H 1.144 0.030 2
790 76 76 PRO C C 176.702 0.300 1
791 76 76 PRO CA C 63.374 0.300 1
792 76 76 PRO CB C 31.373 0.300 1
793 76 76 PRO CD C 49.492 0.300 1
794 76 76 PRO CG C 27.110 0.300 1
795 77 77 SER H H 8.478 0.030 1
796 77 77 SER HA H 4.031 0.030 1
797 77 77 SER HB2 H 3.933 0.030 2
798 77 77 SER HB3 H 3.878 0.030 2
799 77 77 SER C C 175.050 0.300 1
800 77 77 SER CA C 61.755 0.300 1
801 77 77 SER CB C 63.308 0.300 1
802 77 77 SER N N 111.641 0.300 1
803 78 78 VAL H H 7.211 0.030 1
804 78 78 VAL HA H 4.338 0.030 1
805 78 78 VAL HB H 2.179 0.030 1
806 78 78 VAL HG1 H 0.751 0.030 1
807 78 78 VAL HG2 H 0.695 0.030 1
808 78 78 VAL C C 175.973 0.300 1
809 78 78 VAL CA C 60.683 0.300 1
810 78 78 VAL CB C 33.691 0.300 1
811 78 78 VAL CG1 C 21.328 0.300 2
812 78 78 VAL CG2 C 18.910 0.300 2
813 78 78 VAL N N 111.553 0.300 1
814 79 79 LEU H H 7.030 0.030 1
815 79 79 LEU HA H 3.783 0.030 1
816 79 79 LEU HB2 H 1.152 0.030 2
817 79 79 LEU HB3 H 1.022 0.030 2
818 79 79 LEU HD1 H 0.037 0.030 1
819 79 79 LEU HD2 H -0.246 0.030 1
820 79 79 LEU HG H 0.621 0.030 1
821 79 79 LEU C C 175.221 0.300 1
822 79 79 LEU CA C 56.079 0.300 1
823 79 79 LEU CB C 43.168 0.300 1
824 79 79 LEU CD1 C 24.002 0.300 2
825 79 79 LEU CD2 C 25.741 0.300 2
826 79 79 LEU CG C 26.076 0.300 1
827 79 79 LEU N N 123.801 0.300 1
828 80 80 ASP H H 8.262 0.030 1
829 80 80 ASP HA H 4.856 0.030 1
830 80 80 ASP HB2 H 2.607 0.030 2
831 80 80 ASP HB3 H 2.455 0.030 2
832 80 80 ASP C C 175.488 0.300 1
833 80 80 ASP CA C 52.569 0.300 1
834 80 80 ASP CB C 40.409 0.300 1
835 80 80 ASP N N 124.221 0.300 1
836 81 81 PHE H H 8.959 0.030 1
837 81 81 PHE HA H 3.819 0.030 1
838 81 81 PHE HB2 H 3.074 0.030 2
839 81 81 PHE HB3 H 2.827 0.030 2
840 81 81 PHE HD1 H 7.143 0.030 1
841 81 81 PHE HD2 H 7.143 0.030 1
842 81 81 PHE HE1 H 6.889 0.030 1
843 81 81 PHE HE2 H 6.889 0.030 1
844 81 81 PHE C C 174.895 0.300 1
845 81 81 PHE CA C 58.270 0.300 1
846 81 81 PHE CB C 38.701 0.300 1
847 81 81 PHE CD1 C 130.905 0.300 1
848 81 81 PHE CD2 C 130.905 0.300 1
849 81 81 PHE CE1 C 131.002 0.300 1
850 81 81 PHE CE2 C 131.002 0.300 1
851 81 81 PHE N N 127.565 0.300 1
852 82 82 PRO HA H 4.855 0.030 1
853 82 82 PRO HB2 H 2.257 0.030 2
854 82 82 PRO HB3 H 2.147 0.030 2
855 82 82 PRO HD2 H 3.782 0.030 2
856 82 82 PRO HD3 H 3.169 0.030 2
857 82 82 PRO HG2 H 1.708 0.030 2
858 82 82 PRO HG3 H 1.521 0.030 2
859 82 82 PRO C C 174.634 0.300 1
860 82 82 PRO CA C 61.607 0.300 1
861 82 82 PRO CB C 31.953 0.300 1
862 82 82 PRO CD C 49.748 0.300 1
863 82 82 PRO CG C 25.789 0.300 1
864 83 83 SER H H 8.571 0.030 1
865 83 83 SER HA H 3.317 0.030 1
866 83 83 SER HB2 H 3.504 0.030 2
867 83 83 SER HB3 H 3.311 0.030 2
868 83 83 SER C C 173.853 0.300 1
869 83 83 SER CA C 60.106 0.300 1
870 83 83 SER CB C 62.835 0.300 1
871 83 83 SER N N 111.042 0.300 1
872 84 84 SER H H 7.438 0.030 1
873 84 84 SER HA H 4.899 0.030 1
874 84 84 SER HB2 H 4.229 0.030 2
875 84 84 SER HB3 H 3.749 0.030 2
876 84 84 SER C C 174.878 0.300 1
877 84 84 SER CA C 57.043 0.300 1
878 84 84 SER CB C 65.180 0.300 1
879 84 84 SER N N 112.438 0.300 1
880 85 85 ALA H H 10.312 0.030 1
881 85 85 ALA HA H 3.752 0.030 1
882 85 85 ALA HB H 1.416 0.030 1
883 85 85 ALA C C 179.126 0.300 1
884 85 85 ALA CA C 54.999 0.300 1
885 85 85 ALA CB C 18.543 0.300 1
886 85 85 ALA N N 127.004 0.300 1
887 86 86 THR H H 7.636 0.030 1
888 86 86 THR HA H 3.800 0.030 1
889 86 86 THR HB H 4.275 0.030 1
890 86 86 THR HG2 H 1.154 0.030 1
891 86 86 THR C C 174.634 0.300 1
892 86 86 THR CA C 64.246 0.300 1
893 86 86 THR CB C 68.428 0.300 1
894 86 86 THR CG2 C 21.854 0.300 1
895 86 86 THR N N 107.380 0.300 1
896 87 87 GLY H H 7.962 0.030 1
897 87 87 GLY HA2 H 4.202 0.030 2
898 87 87 GLY HA3 H 3.592 0.030 2
899 87 87 GLY C C 174.557 0.300 1
900 87 87 GLY CA C 44.830 0.300 1
901 87 87 GLY N N 108.008 0.300 1
902 88 88 LEU H H 7.216 0.030 1
903 88 88 LEU HA H 4.065 0.030 1
904 88 88 LEU HB2 H 1.866 0.030 2
905 88 88 LEU HB3 H 1.814 0.030 2
906 88 88 LEU HD1 H 0.787 0.030 1
907 88 88 LEU HD2 H 0.571 0.030 1
908 88 88 LEU HG H 1.480 0.030 1
909 88 88 LEU C C 174.558 0.300 1
910 88 88 LEU CA C 55.301 0.300 1
911 88 88 LEU CB C 41.159 0.300 1
912 88 88 LEU CD1 C 26.507 0.300 2
913 88 88 LEU CD2 C 23.890 0.300 2
914 88 88 LEU CG C 26.879 0.300 1
915 88 88 LEU N N 120.968 0.300 1
916 89 89 LYS H H 8.205 0.030 1
917 89 89 LYS HA H 4.725 0.030 1
918 89 89 LYS HB2 H 1.582 0.030 2
919 89 89 LYS HB3 H 1.820 0.030 2
920 89 89 LYS HD2 H 1.572 0.030 1
921 89 89 LYS HD3 H 1.572 0.030 1
922 89 89 LYS HE2 H 2.917 0.030 1
923 89 89 LYS HE3 H 2.917 0.030 1
924 89 89 LYS HG2 H 1.000 0.030 2
925 89 89 LYS HG3 H 1.250 0.030 2
926 89 89 LYS C C 176.186 0.300 1
927 89 89 LYS CA C 54.821 0.300 1
928 89 89 LYS CB C 32.891 0.300 1
929 89 89 LYS CD C 29.096 0.300 1
930 89 89 LYS CE C 42.408 0.300 1
931 89 89 LYS CG C 25.444 0.300 1
932 89 89 LYS N N 123.711 0.300 1
933 90 90 GLY H H 8.114 0.030 1
934 90 90 GLY HA2 H 3.730 0.030 2
935 90 90 GLY HA3 H 3.644 0.030 2
936 90 90 GLY C C 173.241 0.300 1
937 90 90 GLY CA C 47.085 0.300 1
938 90 90 GLY N N 107.132 0.300 1
939 91 91 GLY H H 9.192 0.030 1
940 91 91 GLY HA2 H 4.250 0.030 2
941 91 91 GLY HA3 H 3.192 0.030 2
942 91 91 GLY C C 172.122 0.300 1
943 91 91 GLY CA C 46.501 0.300 1
944 91 91 GLY N N 111.186 0.300 1
945 92 92 SER H H 7.880 0.030 1
946 92 92 SER HA H 5.335 0.030 1
947 92 92 SER HB2 H 3.429 0.030 2
948 92 92 SER HB3 H 3.332 0.030 2
949 92 92 SER C C 171.843 0.300 1
950 92 92 SER CA C 57.905 0.300 1
951 92 92 SER CB C 66.282 0.300 1
952 92 92 SER N N 116.638 0.300 1
953 93 93 TRP H H 9.494 0.030 1
954 93 93 TRP HA H 5.616 0.030 1
955 93 93 TRP HB2 H 3.123 0.030 2
956 93 93 TRP HB3 H 2.539 0.030 2
957 93 93 TRP HD1 H 6.447 0.030 1
958 93 93 TRP HE1 H 10.482 0.030 1
959 93 93 TRP HE3 H 7.355 0.030 1
960 93 93 TRP HH2 H 7.093 0.030 1
961 93 93 TRP HZ2 H 7.297 0.030 1
962 93 93 TRP HZ3 H 6.716 0.030 1
963 93 93 TRP C C 174.357 0.300 1
964 93 93 TRP CA C 57.752 0.300 1
965 93 93 TRP CB C 33.625 0.300 1
966 93 93 TRP CD1 C 124.926 0.300 1
967 93 93 TRP CE3 C 122.102 0.300 1
968 93 93 TRP CH2 C 124.053 0.300 1
969 93 93 TRP CZ2 C 113.858 0.300 1
970 93 93 TRP CZ3 C 120.933 0.300 1
971 93 93 TRP N N 129.453 0.300 1
972 93 93 TRP NE1 N 127.461 0.300 1
973 94 94 VAL H H 9.021 0.030 1
974 94 94 VAL HA H 4.390 0.030 1
975 94 94 VAL HB H 1.648 0.030 1
976 94 94 VAL HG1 H 0.638 0.030 1
977 94 94 VAL HG2 H 0.579 0.030 1
978 94 94 VAL C C 172.831 0.300 1
979 94 94 VAL CA C 60.677 0.300 1
980 94 94 VAL CB C 37.367 0.300 1
981 94 94 VAL CG1 C 21.119 0.300 2
982 94 94 VAL CG2 C 21.786 0.300 2
983 94 94 VAL N N 120.182 0.300 1
984 95 95 VAL H H 9.298 0.030 1
985 95 95 VAL HA H 5.064 0.030 1
986 95 95 VAL HB H 2.133 0.030 1
987 95 95 VAL HG1 H 0.829 0.030 1
988 95 95 VAL HG2 H 0.888 0.030 1
989 95 95 VAL C C 174.401 0.300 1
990 95 95 VAL CA C 61.071 0.300 1
991 95 95 VAL CB C 31.552 0.300 1
992 95 95 VAL CG1 C 21.706 0.300 2
993 95 95 VAL CG2 C 21.142 0.300 2
994 95 95 VAL N N 127.117 0.300 1
995 96 96 SER H H 8.432 0.030 1
996 96 96 SER HA H 4.834 0.030 1
997 96 96 SER HB2 H 3.484 0.030 2
998 96 96 SER HB3 H 3.216 0.030 2
999 96 96 SER C C 176.039 0.300 1
1000 96 96 SER CA C 55.844 0.300 1
1001 96 96 SER CB C 64.179 0.300 1
1002 96 96 SER N N 119.637 0.300 1
1003 97 97 GLY H H 10.156 0.030 1
1004 97 97 GLY HA2 H 3.779 0.030 2
1005 97 97 GLY HA3 H 4.200 0.030 2
1006 97 97 GLY C C 174.366 0.300 1
1007 97 97 GLY CA C 48.814 0.300 1
1008 97 97 GLY N N 121.450 0.300 1
1009 98 98 CYS H H 9.143 0.030 1
1010 98 98 CYS HA H 5.139 0.030 1
1011 98 98 CYS HB2 H 3.031 0.030 1
1012 98 98 CYS HB3 H 3.031 0.030 1
1013 98 98 CYS C C 173.236 0.300 1
1014 98 98 CYS CA C 57.641 0.300 1
1015 98 98 CYS CB C 29.318 0.300 1
1016 98 98 CYS N N 126.605 0.300 1
1017 99 99 SER H H 8.760 0.030 1
1018 99 99 SER HA H 5.133 0.030 1
1019 99 99 SER HB2 H 3.971 0.030 1
1020 99 99 SER HB3 H 3.971 0.030 1
1021 99 99 SER C C 171.863 0.300 1
1022 99 99 SER CA C 57.923 0.300 1
1023 99 99 SER CB C 64.874 0.300 1
1024 99 99 SER N N 117.972 0.300 1
1025 100 100 VAL H H 8.921 0.030 1
1026 100 100 VAL HA H 4.498 0.030 1
1027 100 100 VAL HB H 2.110 0.030 1
1028 100 100 VAL HG1 H 0.673 0.030 1
1029 100 100 VAL HG2 H 0.699 0.030 1
1030 100 100 VAL C C 174.756 0.300 1
1031 100 100 VAL CA C 61.269 0.300 1
1032 100 100 VAL CB C 32.417 0.300 1
1033 100 100 VAL CG1 C 20.708 0.300 2
1034 100 100 VAL CG2 C 19.624 0.300 2
1035 100 100 VAL N N 122.280 0.300 1
1036 101 101 LEU H H 9.702 0.030 1
1037 101 101 LEU HA H 4.989 0.030 1
1038 101 101 LEU HB2 H 1.808 0.030 2
1039 101 101 LEU HB3 H 0.898 0.030 2
1040 101 101 LEU HD1 H 0.758 0.030 1
1041 101 101 LEU HD2 H 0.651 0.030 1
1042 101 101 LEU HG H 1.470 0.030 1
1043 101 101 LEU C C 175.771 0.300 1
1044 101 101 LEU CA C 53.869 0.300 1
1045 101 101 LEU CB C 44.191 0.300 1
1046 101 101 LEU CD1 C 25.641 0.300 2
1047 101 101 LEU CD2 C 24.287 0.300 2
1048 101 101 LEU CG C 28.117 0.300 1
1049 101 101 LEU N N 128.378 0.300 1
1050 102 102 ARG H H 9.019 0.030 1
1051 102 102 ARG HA H 4.793 0.030 1
1052 102 102 ARG HB2 H 1.548 0.030 2
1053 102 102 ARG HB3 H 1.032 0.030 2
1054 102 102 ARG HD2 H 3.040 0.030 2
1055 102 102 ARG HD3 H 2.903 0.030 2
1056 102 102 ARG HG2 H 0.589 0.030 2
1057 102 102 ARG HG3 H 0.009 0.030 2
1058 102 102 ARG C C 176.214 0.300 1
1059 102 102 ARG CA C 53.886 0.300 1
1060 102 102 ARG CB C 32.885 0.300 1
1061 102 102 ARG CD C 43.700 0.300 1
1062 102 102 ARG CG C 26.393 0.300 1
1063 102 102 ARG N N 121.723 0.300 1
1064 103 103 ASP H H 9.639 0.030 1
1065 103 103 ASP HA H 4.439 0.030 1
1066 103 103 ASP HB2 H 2.653 0.030 1
1067 103 103 ASP HB3 H 2.653 0.030 1
1068 103 103 ASP C C 176.160 0.300 1
1069 103 103 ASP CA C 55.443 0.300 1
1070 103 103 ASP CB C 39.408 0.300 1
1071 103 103 ASP N N 130.841 0.300 1
1072 104 104 GLY H H 9.069 0.030 1
1073 104 104 GLY HA2 H 3.460 0.030 2
1074 104 104 GLY HA3 H 4.206 0.030 2
1075 104 104 GLY C C 173.579 0.300 1
1076 104 104 GLY CA C 45.786 0.300 1
1077 104 104 GLY N N 103.159 0.300 1
1078 105 105 ARG H H 7.839 0.030 1
1079 105 105 ARG HA H 4.655 0.030 1
1080 105 105 ARG HB2 H 1.831 0.030 2
1081 105 105 ARG HB3 H 1.733 0.030 2
1082 105 105 ARG HD2 H 3.179 0.030 1
1083 105 105 ARG HD3 H 3.179 0.030 1
1084 105 105 ARG HG2 H 1.607 0.030 2
1085 105 105 ARG HG3 H 1.552 0.030 2
1086 105 105 ARG C C 175.513 0.300 1
1087 105 105 ARG CA C 54.060 0.300 1
1088 105 105 ARG CB C 32.415 0.300 1
1089 105 105 ARG CD C 43.331 0.300 1
1090 105 105 ARG CG C 27.009 0.300 1
1091 105 105 ARG N N 121.342 0.300 1
1092 106 106 SER H H 8.915 0.030 1
1093 106 106 SER HA H 4.531 0.030 1
1094 106 106 SER HB2 H 3.846 0.030 2
1095 106 106 SER HB3 H 3.728 0.030 2
1096 106 106 SER C C 176.265 0.300 1
1097 106 106 SER CA C 59.755 0.300 1
1098 106 106 SER CB C 62.515 0.300 1
1099 106 106 SER N N 119.102 0.300 1
1100 107 107 VAL H H 9.601 0.030 1
1101 107 107 VAL HA H 4.636 0.030 1
1102 107 107 VAL HB H 2.434 0.030 1
1103 107 107 VAL HG1 H 1.023 0.030 1
1104 107 107 VAL HG2 H 0.868 0.030 1
1105 107 107 VAL C C 175.822 0.300 1
1106 107 107 VAL CA C 61.123 0.300 1
1107 107 107 VAL CB C 33.551 0.300 1
1108 107 107 VAL CG1 C 22.714 0.300 2
1109 107 107 VAL CG2 C 18.965 0.300 2
1110 107 107 VAL N N 120.828 0.300 1
1111 108 108 LEU H H 7.925 0.030 1
1112 108 108 LEU HA H 4.549 0.030 1
1113 108 108 LEU HB2 H 1.678 0.030 1
1114 108 108 LEU HB3 H 1.678 0.030 1
1115 108 108 LEU HD1 H 1.062 0.030 1
1116 108 108 LEU HD2 H 1.149 0.030 1
1117 108 108 LEU HG H 1.730 0.030 1
1118 108 108 LEU C C 174.503 0.300 1
1119 108 108 LEU CA C 56.461 0.300 1
1120 108 108 LEU CB C 45.041 0.300 1
1121 108 108 LEU CD1 C 26.711 0.300 2
1122 108 108 LEU CD2 C 23.573 0.300 2
1123 108 108 LEU CG C 27.643 0.300 1
1124 108 108 LEU N N 125.160 0.300 1
1125 109 109 GLU H H 8.358 0.030 1
1126 109 109 GLU HA H 4.853 0.030 1
1127 109 109 GLU HB2 H 1.802 0.030 2
1128 109 109 GLU HB3 H 2.205 0.030 2
1129 109 109 GLU HG2 H 2.351 0.030 2
1130 109 109 GLU HG3 H 2.170 0.030 2
1131 109 109 GLU C C 175.662 0.300 1
1132 109 109 GLU CA C 55.781 0.300 1
1133 109 109 GLU CB C 31.916 0.300 1
1134 109 109 GLU CG C 35.580 0.300 1
1135 109 109 GLU N N 123.492 0.300 1
1136 110 110 GLU H H 8.516 0.030 1
1137 110 110 GLU HA H 4.065 0.030 1
1138 110 110 GLU HB2 H 2.145 0.030 2
1139 110 110 GLU HB3 H 2.094 0.030 2
1140 110 110 GLU HG2 H 2.184 0.030 1
1141 110 110 GLU HG3 H 2.184 0.030 1
1142 110 110 GLU C C 175.311 0.300 1
1143 110 110 GLU CA C 56.670 0.300 1
1144 110 110 GLU CB C 27.949 0.300 1
1145 110 110 GLU CG C 36.836 0.300 1
1146 110 110 GLU N N 116.162 0.300 1
1147 111 111 TYR H H 9.357 0.030 1
1148 111 111 TYR HA H 4.444 0.030 1
1149 111 111 TYR HB2 H 2.562 0.030 2
1150 111 111 TYR HB3 H 2.777 0.030 2
1151 111 111 TYR HD1 H 7.008 0.030 1
1152 111 111 TYR HD2 H 7.008 0.030 1
1153 111 111 TYR HE1 H 6.298 0.030 1
1154 111 111 TYR HE2 H 6.298 0.030 1
1155 111 111 TYR C C 175.967 0.300 1
1156 111 111 TYR CA C 58.036 0.300 1
1157 111 111 TYR CB C 39.838 0.300 1
1158 111 111 TYR CD1 C 132.848 0.300 1
1159 111 111 TYR CD2 C 132.848 0.300 1
1160 111 111 TYR CE1 C 117.446 0.300 1
1161 111 111 TYR CE2 C 117.446 0.300 1
1162 111 111 TYR N N 122.801 0.300 1
1163 112 112 GLY H H 7.682 0.030 1
1164 112 112 GLY HA2 H 3.320 0.030 1
1165 112 112 GLY HA3 H 3.320 0.030 1
1166 112 112 GLY C C 173.141 0.300 1
1167 112 112 GLY CA C 45.890 0.300 1
1168 112 112 GLY N N 112.327 0.300 1
1169 113 113 GLN H H 7.627 0.030 1
1170 113 113 GLN HA H 4.274 0.030 1
1171 113 113 GLN HB2 H 1.868 0.030 2
1172 113 113 GLN HB3 H 1.792 0.030 2
1173 113 113 GLN HE21 H 7.300 0.030 2
1174 113 113 GLN HE22 H 6.925 0.030 2
1175 113 113 GLN HG2 H 2.209 0.030 2
1176 113 113 GLN HG3 H 2.014 0.030 2
1177 113 113 GLN C C 173.040 0.300 1
1178 113 113 GLN CA C 54.239 0.300 1
1179 113 113 GLN CB C 31.471 0.300 1
1180 113 113 GLN CG C 33.998 0.300 1
1181 113 113 GLN N N 120.788 0.300 1
1182 113 113 GLN NE2 N 112.675 0.300 1
1183 114 114 ASP H H 8.024 0.030 1
1184 114 114 ASP HA H 4.490 0.030 1
1185 114 114 ASP HB2 H 2.475 0.030 2
1186 114 114 ASP HB3 H 2.929 0.030 2
1187 114 114 ASP C C 179.260 0.300 1
1188 114 114 ASP CA C 54.060 0.300 1
1189 114 114 ASP CB C 41.185 0.300 1
1190 114 114 ASP N N 118.585 0.300 1
1191 115 115 LEU H H 8.780 0.030 1
1192 115 115 LEU HA H 4.008 0.030 1
1193 115 115 LEU HB2 H 1.793 0.030 2
1194 115 115 LEU HB3 H 2.223 0.030 2
1195 115 115 LEU HD1 H 1.043 0.030 1
1196 115 115 LEU HD2 H 0.889 0.030 1
1197 115 115 LEU HG H 2.127 0.030 1
1198 115 115 LEU C C 179.326 0.300 1
1199 115 115 LEU CA C 57.495 0.300 1
1200 115 115 LEU CB C 41.148 0.300 1
1201 115 115 LEU CD1 C 27.824 0.300 2
1202 115 115 LEU CD2 C 23.064 0.300 2
1203 115 115 LEU CG C 27.164 0.300 1
1204 115 115 LEU N N 128.913 0.300 1
1205 116 116 ASP H H 8.714 0.030 1
1206 116 116 ASP HA H 4.709 0.030 1
1207 116 116 ASP HB2 H 2.687 0.030 2
1208 116 116 ASP HB3 H 2.997 0.030 2
1209 116 116 ASP C C 177.420 0.300 1
1210 116 116 ASP CA C 56.672 0.300 1
1211 116 116 ASP CB C 40.606 0.300 1
1212 116 116 ASP N N 116.785 0.300 1
1213 117 117 GLN H H 7.532 0.030 1
1214 117 117 GLN HA H 4.356 0.030 1
1215 117 117 GLN HB2 H 1.942 0.030 2
1216 117 117 GLN HB3 H 2.395 0.030 2
1217 117 117 GLN HE21 H 7.880 0.030 2
1218 117 117 GLN HE22 H 6.895 0.030 2
1219 117 117 GLN HG2 H 2.436 0.030 2
1220 117 117 GLN HG3 H 2.261 0.030 2
1221 117 117 GLN C C 176.836 0.300 1
1222 117 117 GLN CA C 55.018 0.300 1
1223 117 117 GLN CB C 29.141 0.300 1
1224 117 117 GLN CG C 33.546 0.300 1
1225 117 117 GLN N N 114.498 0.300 1
1226 117 117 GLN NE2 N 113.662 0.300 1
1227 118 118 LEU H H 7.016 0.030 1
1228 118 118 LEU HA H 4.351 0.030 1
1229 118 118 LEU HB2 H 1.883 0.030 2
1230 118 118 LEU HB3 H 1.546 0.030 2
1231 118 118 LEU HD1 H 0.938 0.030 1
1232 118 118 LEU HD2 H 0.776 0.030 1
1233 118 118 LEU HG H 1.904 0.030 1
1234 118 118 LEU C C 177.945 0.300 1
1235 118 118 LEU CA C 55.335 0.300 1
1236 118 118 LEU CB C 41.757 0.300 1
1237 118 118 LEU CD1 C 27.405 0.300 2
1238 118 118 LEU CD2 C 22.289 0.300 2
1239 118 118 LEU CG C 27.051 0.300 1
1240 118 118 LEU N N 118.539 0.300 1
1241 119 119 GLY H H 10.333 0.030 1
1242 119 119 GLY HA2 H 3.807 0.030 2
1243 119 119 GLY HA3 H 4.352 0.030 2
1244 119 119 GLY C C 172.759 0.300 1
1245 119 119 GLY CA C 44.061 0.300 1
1246 119 119 GLY N N 114.355 0.300 1
1247 120 120 GLU H H 8.702 0.030 1
1248 120 120 GLU HA H 3.792 0.030 1
1249 120 120 GLU HB2 H 1.927 0.030 2
1250 120 120 GLU HB3 H 1.884 0.030 2
1251 120 120 GLU HG2 H 2.336 0.030 2
1252 120 120 GLU HG3 H 1.971 0.030 2
1253 120 120 GLU C C 178.330 0.300 1
1254 120 120 GLU CA C 58.405 0.300 1
1255 120 120 GLU CB C 28.881 0.300 1
1256 120 120 GLU CG C 37.363 0.300 1
1257 120 120 GLU N N 117.311 0.300 1
1258 121 121 GLY H H 9.745 0.030 1
1259 121 121 GLY HA2 H 4.519 0.030 2
1260 121 121 GLY HA3 H 3.453 0.030 2
1261 121 121 GLY C C 174.446 0.300 1
1262 121 121 GLY CA C 45.086 0.300 1
1263 121 121 GLY N N 113.929 0.300 1
1264 122 122 ASP H H 8.128 0.030 1
1265 122 122 ASP HA H 5.111 0.030 1
1266 122 122 ASP HB2 H 3.204 0.030 2
1267 122 122 ASP HB3 H 2.529 0.030 2
1268 122 122 ASP C C 177.143 0.300 1
1269 122 122 ASP CA C 55.665 0.300 1
1270 122 122 ASP CB C 42.113 0.300 1
1271 122 122 ASP N N 121.056 0.300 1
1272 123 123 ARG H H 8.755 0.030 1
1273 123 123 ARG HA H 5.596 0.030 1
1274 123 123 ARG HB2 H 1.699 0.030 2
1275 123 123 ARG HB3 H 1.505 0.030 2
1276 123 123 ARG HD2 H 3.232 0.030 2
1277 123 123 ARG HD3 H 2.987 0.030 2
1278 123 123 ARG HG2 H 1.712 0.030 2
1279 123 123 ARG HG3 H 1.660 0.030 2
1280 123 123 ARG C C 175.160 0.300 1
1281 123 123 ARG CA C 54.067 0.300 1
1282 123 123 ARG CB C 32.971 0.300 1
1283 123 123 ARG CD C 43.495 0.300 1
1284 123 123 ARG CG C 26.796 0.300 1
1285 123 123 ARG N N 117.533 0.300 1
1286 124 124 VAL H H 9.345 0.030 1
1287 124 124 VAL HA H 5.435 0.030 1
1288 124 124 VAL HB H 2.011 0.030 1
1289 124 124 VAL HG1 H 1.084 0.030 1
1290 124 124 VAL HG2 H 1.023 0.030 1
1291 124 124 VAL C C 172.746 0.300 1
1292 124 124 VAL CA C 59.180 0.300 1
1293 124 124 VAL CB C 34.489 0.300 1
1294 124 124 VAL CG1 C 22.185 0.300 2
1295 124 124 VAL CG2 C 20.621 0.300 2
1296 124 124 VAL N N 121.609 0.300 1
1297 125 125 GLY H H 9.845 0.030 1
1298 125 125 GLY HA2 H 3.503 0.030 2
1299 125 125 GLY HA3 H 5.942 0.030 2
1300 125 125 GLY C C 172.334 0.300 1
1301 125 125 GLY CA C 44.983 0.300 1
1302 125 125 GLY N N 114.271 0.300 1
1303 126 126 VAL H H 8.865 0.030 1
1304 126 126 VAL HA H 5.366 0.030 1
1305 126 126 VAL HB H 1.905 0.030 1
1306 126 126 VAL HG1 H 1.127 0.030 1
1307 126 126 VAL HG2 H 1.056 0.030 1
1308 126 126 VAL C C 172.252 0.300 1
1309 126 126 VAL CA C 58.991 0.300 1
1310 126 126 VAL CB C 36.250 0.300 1
1311 126 126 VAL CG1 C 21.539 0.300 2
1312 126 126 VAL CG2 C 20.320 0.300 2
1313 126 126 VAL N N 114.049 0.300 1
1314 127 127 GLU H H 8.546 0.030 1
1315 127 127 GLU HA H 4.658 0.030 1
1316 127 127 GLU HB2 H 2.197 0.030 2
1317 127 127 GLU HB3 H 1.819 0.030 2
1318 127 127 GLU HG2 H 1.907 0.030 2
1319 127 127 GLU HG3 H 1.850 0.030 2
1320 127 127 GLU C C 174.198 0.300 1
1321 127 127 GLU CA C 53.767 0.300 1
1322 127 127 GLU CB C 35.981 0.300 1
1323 127 127 GLU CG C 35.557 0.300 1
1324 127 127 GLU N N 123.822 0.300 1
1325 128 128 ARG H H 9.325 0.030 1
1326 128 128 ARG HA H 5.187 0.030 1
1327 128 128 ARG HB2 H 1.624 0.030 2
1328 128 128 ARG HB3 H 1.019 0.030 2
1329 128 128 ARG HD2 H 3.292 0.030 2
1330 128 128 ARG HD3 H 2.643 0.030 2
1331 128 128 ARG HE H 6.578 0.030 1
1332 128 128 ARG HG2 H 1.986 0.030 2
1333 128 128 ARG HG3 H 0.964 0.030 2
1334 128 128 ARG C C 176.542 0.300 1
1335 128 128 ARG CA C 53.925 0.300 1
1336 128 128 ARG CB C 30.940 0.300 1
1337 128 128 ARG CD C 43.084 0.300 1
1338 128 128 ARG CG C 27.807 0.300 1
1339 128 128 ARG N N 125.792 0.300 1
1340 128 128 ARG NE N 85.642 0.300 1
1341 129 129 THR H H 9.262 0.030 1
1342 129 129 THR HA H 4.522 0.030 1
1343 129 129 THR HB H 4.736 0.030 1
1344 129 129 THR HG2 H 1.227 0.030 1
1345 129 129 THR C C 176.293 0.300 1
1346 129 129 THR CA C 60.485 0.300 1
1347 129 129 THR CB C 71.832 0.300 1
1348 129 129 THR CG2 C 21.203 0.300 1
1349 129 129 THR N N 117.480 0.300 1
1350 130 130 VAL H H 8.790 0.030 1
1351 130 130 VAL HA H 3.791 0.030 1
1352 130 130 VAL HB H 2.099 0.030 1
1353 130 130 VAL HG1 H 0.981 0.030 1
1354 130 130 VAL HG2 H 1.021 0.030 1
1355 130 130 VAL C C 176.679 0.300 1
1356 130 130 VAL CA C 64.607 0.300 1
1357 130 130 VAL CB C 31.579 0.300 1
1358 130 130 VAL CG1 C 20.868 0.300 2
1359 130 130 VAL CG2 C 21.163 0.300 2
1360 130 130 VAL N N 117.494 0.300 1
1361 131 131 ALA H H 7.432 0.030 1
1362 131 131 ALA HA H 4.404 0.030 1
1363 131 131 ALA HB H 1.268 0.030 1
1364 131 131 ALA C C 177.473 0.300 1
1365 131 131 ALA CA C 51.586 0.300 1
1366 131 131 ALA CB C 18.734 0.300 1
1367 131 131 ALA N N 120.554 0.300 1
1368 132 132 GLY H H 8.480 0.030 1
1369 132 132 GLY HA2 H 3.172 0.030 2
1370 132 132 GLY HA3 H 3.964 0.030 2
1371 132 132 GLY C C 172.870 0.300 1
1372 132 132 GLY CA C 45.903 0.300 1
1373 132 132 GLY N N 110.342 0.300 1
1374 133 133 GLU H H 7.389 0.030 1
1375 133 133 GLU HA H 4.678 0.030 1
1376 133 133 GLU HB2 H 2.181 0.030 2
1377 133 133 GLU HB3 H 1.892 0.030 2
1378 133 133 GLU HG2 H 2.081 0.030 2
1379 133 133 GLU HG3 H 1.886 0.030 2
1380 133 133 GLU C C 175.505 0.300 1
1381 133 133 GLU CA C 53.714 0.300 1
1382 133 133 GLU CB C 30.215 0.300 1
1383 133 133 GLU CG C 35.182 0.300 1
1384 133 133 GLU N N 114.708 0.300 1
1385 134 134 LEU H H 8.201 0.030 1
1386 134 134 LEU HA H 5.082 0.030 1
1387 134 134 LEU HB2 H 1.542 0.030 2
1388 134 134 LEU HB3 H 0.957 0.030 2
1389 134 134 LEU HD1 H 0.628 0.030 1
1390 134 134 LEU HD2 H 0.827 0.030 1
1391 134 134 LEU HG H 1.168 0.030 1
1392 134 134 LEU C C 175.110 0.300 1
1393 134 134 LEU CA C 53.134 0.300 1
1394 134 134 LEU CB C 44.084 0.300 1
1395 134 134 LEU CD1 C 25.644 0.300 2
1396 134 134 LEU CD2 C 23.943 0.300 2
1397 134 134 LEU CG C 27.533 0.300 1
1398 134 134 LEU N N 121.060 0.300 1
1399 135 135 ARG H H 8.949 0.030 1
1400 135 135 ARG HA H 4.832 0.030 1
1401 135 135 ARG HB2 H 1.717 0.030 2
1402 135 135 ARG HB3 H 1.578 0.030 2
1403 135 135 ARG HD2 H 3.172 0.030 2
1404 135 135 ARG HD3 H 3.027 0.030 2
1405 135 135 ARG HE H 6.934 0.030 1
1406 135 135 ARG HG2 H 1.298 0.030 2
1407 135 135 ARG HG3 H 1.131 0.030 2
1408 135 135 ARG C C 173.865 0.300 1
1409 135 135 ARG CA C 55.776 0.300 1
1410 135 135 ARG CB C 34.356 0.300 1
1411 135 135 ARG CD C 43.835 0.300 1
1412 135 135 ARG CG C 27.785 0.300 1
1413 135 135 ARG N N 126.680 0.300 1
1414 135 135 ARG NE N 84.967 0.300 1
1415 136 136 LEU H H 7.011 0.030 1
1416 136 136 LEU HA H 5.614 0.030 1
1417 136 136 LEU HB2 H 1.947 0.030 2
1418 136 136 LEU HB3 H 1.878 0.030 2
1419 136 136 LEU HD1 H 0.998 0.030 1
1420 136 136 LEU HD2 H 0.941 0.030 1
1421 136 136 LEU HG H 1.956 0.030 1
1422 136 136 LEU C C 174.779 0.300 1
1423 136 136 LEU CA C 54.041 0.300 1
1424 136 136 LEU CB C 44.617 0.300 1
1425 136 136 LEU CD1 C 26.283 0.300 2
1426 136 136 LEU CD2 C 24.653 0.300 2
1427 136 136 LEU CG C 29.648 0.300 1
1428 136 136 LEU N N 122.152 0.300 1
1429 137 137 TRP H H 9.010 0.030 1
1430 137 137 TRP HA H 5.335 0.030 1
1431 137 137 TRP HB2 H 2.851 0.030 2
1432 137 137 TRP HB3 H 2.563 0.030 2
1433 137 137 TRP HD1 H 6.729 0.030 1
1434 137 137 TRP HE1 H 10.937 0.030 1
1435 137 137 TRP HE3 H 6.839 0.030 1
1436 137 137 TRP HH2 H 7.167 0.030 1
1437 137 137 TRP HZ2 H 7.456 0.030 1
1438 137 137 TRP HZ3 H 7.035 0.030 1
1439 137 137 TRP C C 176.983 0.300 1
1440 137 137 TRP CA C 54.960 0.300 1
1441 137 137 TRP CB C 31.416 0.300 1
1442 137 137 TRP CD1 C 125.935 0.300 1
1443 137 137 TRP CE3 C 119.073 0.300 1
1444 137 137 TRP CH2 C 123.953 0.300 1
1445 137 137 TRP CZ2 C 114.989 0.300 1
1446 137 137 TRP CZ3 C 121.694 0.300 1
1447 137 137 TRP N N 121.627 0.300 1
1448 137 137 TRP NE1 N 133.603 0.300 1
1449 138 138 VAL H H 8.947 0.030 1
1450 138 138 VAL HA H 4.958 0.030 1
1451 138 138 VAL HB H 1.722 0.030 1
1452 138 138 VAL HG1 H 0.983 0.030 1
1453 138 138 VAL HG2 H 0.879 0.030 1
1454 138 138 VAL C C 176.420 0.300 1
1455 138 138 VAL CA C 61.289 0.300 1
1456 138 138 VAL CB C 34.162 0.300 1
1457 138 138 VAL CG1 C 22.530 0.300 2
1458 138 138 VAL CG2 C 21.979 0.300 2
1459 138 138 VAL N N 123.640 0.300 1
1460 139 139 ASN H H 9.848 0.030 1
1461 139 139 ASN HA H 4.399 0.030 1
1462 139 139 ASN HB2 H 2.835 0.030 2
1463 139 139 ASN HB3 H 3.089 0.030 2
1464 139 139 ASN HD21 H 7.648 0.030 2
1465 139 139 ASN HD22 H 7.276 0.030 2
1466 139 139 ASN C C 175.322 0.300 1
1467 139 139 ASN CA C 54.529 0.300 1
1468 139 139 ASN CB C 37.147 0.300 1
1469 139 139 ASN N N 129.181 0.300 1
1470 139 139 ASN ND2 N 112.540 0.300 1
1471 140 140 GLY H H 9.332 0.030 1
1472 140 140 GLY HA2 H 3.621 0.030 2
1473 140 140 GLY HA3 H 4.242 0.030 2
1474 140 140 GLY C C 173.327 0.300 1
1475 140 140 GLY CA C 45.515 0.300 1
1476 140 140 GLY N N 102.357 0.300 1
1477 141 141 ARG H H 8.141 0.030 1
1478 141 141 ARG HA H 4.687 0.030 1
1479 141 141 ARG HB2 H 1.867 0.030 2
1480 141 141 ARG HB3 H 1.744 0.030 2
1481 141 141 ARG HD2 H 3.207 0.030 2
1482 141 141 ARG HD3 H 3.138 0.030 2
1483 141 141 ARG HG2 H 1.569 0.030 2
1484 141 141 ARG HG3 H 1.410 0.030 2
1485 141 141 ARG C C 174.463 0.300 1
1486 141 141 ARG CA C 54.665 0.300 1
1487 141 141 ARG CB C 32.173 0.300 1
1488 141 141 ARG CD C 43.331 0.300 1
1489 141 141 ARG CG C 27.370 0.300 1
1490 141 141 ARG N N 121.796 0.300 1
1491 142 142 ASP H H 8.090 0.030 1
1492 142 142 ASP HA H 2.989 0.030 1
1493 142 142 ASP HB2 H 1.062 0.030 2
1494 142 142 ASP HB3 H 1.926 0.030 2
1495 142 142 ASP C C 177.594 0.300 1
1496 142 142 ASP CA C 53.773 0.300 1
1497 142 142 ASP CB C 39.890 0.300 1
1498 142 142 ASP N N 127.032 0.300 1
1499 143 143 CYS H H 8.904 0.030 1
1500 143 143 CYS HA H 4.128 0.030 1
1501 143 143 CYS HB2 H 3.130 0.030 2
1502 143 143 CYS HB3 H 2.483 0.030 2
1503 143 143 CYS C C 174.263 0.300 1
1504 143 143 CYS CA C 60.396 0.300 1
1505 143 143 CYS CB C 27.119 0.300 1
1506 143 143 CYS N N 125.868 0.300 1
1507 144 144 GLY H H 8.981 0.030 1
1508 144 144 GLY HA2 H 3.630 0.030 2
1509 144 144 GLY HA3 H 4.331 0.030 2
1510 144 144 GLY C C 175.349 0.300 1
1511 144 144 GLY CA C 43.352 0.300 1
1512 144 144 GLY N N 108.847 0.300 1
1513 145 145 VAL H H 8.839 0.030 1
1514 145 145 VAL HA H 3.796 0.030 1
1515 145 145 VAL HB H 1.918 0.030 1
1516 145 145 VAL HG1 H 0.818 0.030 1
1517 145 145 VAL HG2 H 0.780 0.030 1
1518 145 145 VAL C C 175.972 0.300 1
1519 145 145 VAL CA C 64.896 0.300 1
1520 145 145 VAL CB C 31.954 0.300 1
1521 145 145 VAL CG1 C 22.309 0.300 2
1522 145 145 VAL CG2 C 21.640 0.300 2
1523 145 145 VAL N N 122.435 0.300 1
1524 146 146 ALA H H 9.324 0.030 1
1525 146 146 ALA HA H 3.831 0.030 1
1526 146 146 ALA HB H 0.670 0.030 1
1527 146 146 ALA C C 175.589 0.300 1
1528 146 146 ALA CA C 52.483 0.300 1
1529 146 146 ALA CB C 18.817 0.300 1
1530 146 146 ALA N N 133.323 0.300 1
1531 147 147 ALA H H 7.217 0.030 1
1532 147 147 ALA HA H 4.511 0.030 1
1533 147 147 ALA HB H 1.218 0.030 1
1534 147 147 ALA C C 174.977 0.300 1
1535 147 147 ALA CA C 50.974 0.300 1
1536 147 147 ALA CB C 22.477 0.300 1
1537 147 147 ALA N N 113.404 0.300 1
1538 148 148 THR H H 8.089 0.030 1
1539 148 148 THR HA H 4.573 0.030 1
1540 148 148 THR HB H 4.195 0.030 1
1541 148 148 THR HG2 H 1.071 0.030 1
1542 148 148 THR C C 173.593 0.300 1
1543 148 148 THR CA C 59.856 0.300 1
1544 148 148 THR CB C 71.182 0.300 1
1545 148 148 THR CG2 C 21.925 0.300 1
1546 148 148 THR N N 109.527 0.300 1
1547 149 149 GLY H H 8.481 0.030 1
1548 149 149 GLY HA2 H 3.705 0.030 2
1549 149 149 GLY HA3 H 3.959 0.030 2
1550 149 149 GLY C C 175.348 0.300 1
1551 149 149 GLY CA C 46.002 0.300 1
1552 149 149 GLY N N 107.308 0.300 1
1553 150 150 LEU H H 8.390 0.030 1
1554 150 150 LEU HA H 3.571 0.030 1
1555 150 150 LEU HB2 H 0.956 0.030 1
1556 150 150 LEU HB3 H 0.956 0.030 1
1557 150 150 LEU HD1 H -0.143 0.030 1
1558 150 150 LEU HD2 H -0.189 0.030 1
1559 150 150 LEU HG H 0.432 0.030 1
1560 150 150 LEU C C 175.775 0.300 1
1561 150 150 LEU CA C 54.222 0.300 1
1562 150 150 LEU CB C 40.140 0.300 1
1563 150 150 LEU CD1 C 24.909 0.300 2
1564 150 150 LEU CD2 C 22.876 0.300 2
1565 150 150 LEU CG C 28.978 0.300 1
1566 150 150 LEU N N 122.081 0.300 1
1567 151 151 PRO HA H 4.744 0.030 1
1568 151 151 PRO HB2 H 2.439 0.030 2
1569 151 151 PRO HB3 H 2.169 0.030 2
1570 151 151 PRO HD2 H 3.098 0.030 2
1571 151 151 PRO HD3 H 3.957 0.030 2
1572 151 151 PRO HG2 H 2.339 0.030 2
1573 151 151 PRO HG3 H 1.970 0.030 2
1574 151 151 PRO CA C 61.659 0.300 1
1575 151 151 PRO CB C 30.518 0.300 1
1576 151 151 PRO CD C 50.859 0.300 1
1577 151 151 PRO CG C 26.748 0.300 1
1578 152 152 PRO HA H 3.959 0.030 1
1579 152 152 PRO HB2 H 2.256 0.030 2
1580 152 152 PRO HB3 H 1.843 0.030 2
1581 152 152 PRO HD2 H 3.743 0.030 2
1582 152 152 PRO HD3 H 3.690 0.030 2
1583 152 152 PRO HG2 H 2.013 0.030 2
1584 152 152 PRO HG3 H 1.951 0.030 2
1585 152 152 PRO C C 176.118 0.300 1
1586 152 152 PRO CA C 64.899 0.300 1
1587 152 152 PRO CB C 32.442 0.300 1
1588 152 152 PRO CD C 50.328 0.300 1
1589 152 152 PRO CG C 27.408 0.300 1
1590 153 153 ARG H H 7.484 0.030 1
1591 153 153 ARG HA H 4.533 0.030 1
1592 153 153 ARG HB2 H 1.389 0.030 2
1593 153 153 ARG HB3 H 1.707 0.030 2
1594 153 153 ARG HD2 H 3.067 0.030 1
1595 153 153 ARG HD3 H 3.067 0.030 1
1596 153 153 ARG HG2 H 1.043 0.030 2
1597 153 153 ARG HG3 H 0.875 0.030 2
1598 153 153 ARG C C 173.952 0.300 1
1599 153 153 ARG CA C 54.488 0.300 1
1600 153 153 ARG CB C 30.918 0.300 1
1601 153 153 ARG CD C 43.660 0.300 1
1602 153 153 ARG CG C 26.698 0.300 1
1603 153 153 ARG N N 118.908 0.300 1
1604 154 154 VAL H H 8.987 0.030 1
1605 154 154 VAL HA H 5.171 0.030 1
1606 154 154 VAL HB H 1.953 0.030 1
1607 154 154 VAL HG1 H 0.743 0.030 1
1608 154 154 VAL HG2 H 0.621 0.030 1
1609 154 154 VAL C C 172.726 0.300 1
1610 154 154 VAL CA C 58.294 0.300 1
1611 154 154 VAL CB C 36.715 0.300 1
1612 154 154 VAL CG1 C 22.285 0.300 2
1613 154 154 VAL CG2 C 18.564 0.300 2
1614 154 154 VAL N N 118.307 0.300 1
1615 155 155 TRP H H 9.727 0.030 1
1616 155 155 TRP HA H 4.309 0.030 1
1617 155 155 TRP HB2 H 3.194 0.030 2
1618 155 155 TRP HB3 H 2.955 0.030 2
1619 155 155 TRP HD1 H 7.332 0.030 1
1620 155 155 TRP HE1 H 9.794 0.030 1
1621 155 155 TRP HE3 H 7.782 0.030 1
1622 155 155 TRP HH2 H 6.956 0.030 1
1623 155 155 TRP HZ2 H 7.250 0.030 1
1624 155 155 TRP HZ3 H 6.808 0.030 1
1625 155 155 TRP C C 176.865 0.300 1
1626 155 155 TRP CA C 58.863 0.300 1
1627 155 155 TRP CB C 32.457 0.300 1
1628 155 155 TRP CD1 C 128.036 0.300 1
1629 155 155 TRP CE3 C 124.098 0.300 1
1630 155 155 TRP CH2 C 123.212 0.300 1
1631 155 155 TRP CZ2 C 113.004 0.300 1
1632 155 155 TRP CZ3 C 121.106 0.300 1
1633 155 155 TRP N N 123.016 0.300 1
1634 155 155 TRP NE1 N 126.422 0.300 1
1635 156 156 ALA H H 8.168 0.030 1
1636 156 156 ALA HA H 4.689 0.030 1
1637 156 156 ALA HB H 0.723 0.030 1
1638 156 156 ALA C C 175.576 0.300 1
1639 156 156 ALA CA C 51.902 0.300 1
1640 156 156 ALA CB C 20.231 0.300 1
1641 156 156 ALA N N 122.374 0.300 1
1642 157 157 VAL H H 8.404 0.030 1
1643 157 157 VAL HA H 4.769 0.030 1
1644 157 157 VAL HB H 1.539 0.030 1
1645 157 157 VAL HG1 H 0.745 0.030 1
1646 157 157 VAL HG2 H 0.633 0.030 1
1647 157 157 VAL C C 173.338 0.300 1
1648 157 157 VAL CA C 60.027 0.300 1
1649 157 157 VAL CB C 34.947 0.300 1
1650 157 157 VAL CG1 C 21.808 0.300 2
1651 157 157 VAL CG2 C 20.636 0.300 2
1652 157 157 VAL N N 118.459 0.300 1
1653 158 158 VAL H H 9.181 0.030 1
1654 158 158 VAL HA H 4.622 0.030 1
1655 158 158 VAL HB H 1.966 0.030 1
1656 158 158 VAL HG1 H 0.979 0.030 1
1657 158 158 VAL HG2 H 0.975 0.030 1
1658 158 158 VAL C C 172.190 0.300 1
1659 158 158 VAL CA C 61.074 0.300 1
1660 158 158 VAL CB C 34.159 0.300 1
1661 158 158 VAL CG1 C 22.514 0.300 2
1662 158 158 VAL CG2 C 20.251 0.300 2
1663 158 158 VAL N N 125.705 0.300 1
1664 159 159 ASP H H 9.115 0.030 1
1665 159 159 ASP HA H 5.133 0.030 1
1666 159 159 ASP HB2 H 2.990 0.030 2
1667 159 159 ASP HB3 H 1.987 0.030 2
1668 159 159 ASP C C 177.320 0.300 1
1669 159 159 ASP CA C 52.301 0.300 1
1670 159 159 ASP CB C 45.608 0.300 1
1671 159 159 ASP N N 125.974 0.300 1
1672 160 160 LEU H H 8.404 0.030 1
1673 160 160 LEU HA H 4.168 0.030 1
1674 160 160 LEU HB2 H 1.481 0.030 2
1675 160 160 LEU HB3 H 2.030 0.030 2
1676 160 160 LEU HD1 H 0.724 0.030 1
1677 160 160 LEU HD2 H 0.864 0.030 1
1678 160 160 LEU HG H 1.540 0.030 1
1679 160 160 LEU C C 174.541 0.300 1
1680 160 160 LEU CA C 55.138 0.300 1
1681 160 160 LEU CB C 38.831 0.300 1
1682 160 160 LEU CD1 C 27.741 0.300 2
1683 160 160 LEU CD2 C 26.047 0.300 2
1684 160 160 LEU CG C 28.769 0.300 1
1685 160 160 LEU N N 131.212 0.300 1
1686 161 161 TYR H H 7.528 0.030 1
1687 161 161 TYR HA H 4.453 0.030 1
1688 161 161 TYR HB2 H 2.947 0.030 2
1689 161 161 TYR HB3 H 2.763 0.030 2
1690 161 161 TYR HD1 H 7.272 0.030 1
1691 161 161 TYR HD2 H 7.272 0.030 1
1692 161 161 TYR HE1 H 6.847 0.030 1
1693 161 161 TYR HE2 H 6.847 0.030 1
1694 161 161 TYR C C 177.217 0.300 1
1695 161 161 TYR CA C 56.508 0.300 1
1696 161 161 TYR CB C 39.654 0.300 1
1697 161 161 TYR CD1 C 133.990 0.300 1
1698 161 161 TYR CD2 C 133.990 0.300 1
1699 161 161 TYR CE1 C 116.846 0.300 1
1700 161 161 TYR CE2 C 116.846 0.300 1
1701 161 161 TYR N N 126.144 0.300 1
1702 162 162 GLY H H 8.445 0.030 1
1703 162 162 GLY HA2 H 2.501 0.030 2
1704 162 162 GLY HA3 H 3.522 0.030 2
1705 162 162 GLY C C 176.175 0.300 1
1706 162 162 GLY CA C 46.681 0.300 1
1707 162 162 GLY N N 112.570 0.300 1
1708 163 163 LYS H H 9.595 0.030 1
1709 163 163 LYS HA H 4.564 0.030 1
1710 163 163 LYS HB2 H 2.081 0.030 2
1711 163 163 LYS HB3 H 2.043 0.030 2
1712 163 163 LYS HD2 H 1.967 0.030 2
1713 163 163 LYS HD3 H 1.742 0.030 2
1714 163 163 LYS HE2 H 3.228 0.030 2
1715 163 163 LYS HE3 H 3.129 0.030 2
1716 163 163 LYS HG2 H 1.546 0.030 2
1717 163 163 LYS HG3 H 1.819 0.030 2
1718 163 163 LYS C C 177.189 0.300 1
1719 163 163 LYS CA C 59.315 0.300 1
1720 163 163 LYS CB C 34.938 0.300 1
1721 163 163 LYS CD C 30.751 0.300 1
1722 163 163 LYS CE C 42.606 0.300 1
1723 163 163 LYS CG C 26.463 0.300 1
1724 163 163 LYS N N 126.495 0.300 1
1725 164 164 CYS H H 7.880 0.030 1
1726 164 164 CYS HA H 4.506 0.030 1
1727 164 164 CYS HB2 H 3.075 0.030 2
1728 164 164 CYS HB3 H 2.885 0.030 2
1729 164 164 CYS C C 173.497 0.300 1
1730 164 164 CYS CA C 59.704 0.300 1
1731 164 164 CYS CB C 27.122 0.300 1
1732 164 164 CYS N N 116.646 0.300 1
1733 165 165 THR H H 8.148 0.030 1
1734 165 165 THR HA H 4.584 0.030 1
1735 165 165 THR HB H 4.416 0.030 1
1736 165 165 THR HG2 H 1.214 0.030 1
1737 165 165 THR C C 175.334 0.300 1
1738 165 165 THR CA C 62.002 0.300 1
1739 165 165 THR CB C 69.361 0.300 1
1740 165 165 THR CG2 C 23.913 0.300 1
1741 165 165 THR N N 115.432 0.300 1
1742 166 166 GLN H H 7.581 0.030 1
1743 166 166 GLN HA H 5.560 0.030 1
1744 166 166 GLN HB2 H 2.434 0.030 2
1745 166 166 GLN HB3 H 1.565 0.030 2
1746 166 166 GLN HE21 H 7.965 0.030 2
1747 166 166 GLN HE22 H 6.820 0.030 2
1748 166 166 GLN HG2 H 2.659 0.030 2
1749 166 166 GLN HG3 H 2.443 0.030 2
1750 166 166 GLN C C 175.091 0.300 1
1751 166 166 GLN CA C 56.585 0.300 1
1752 166 166 GLN CB C 32.058 0.300 1
1753 166 166 GLN CG C 33.987 0.300 1
1754 166 166 GLN N N 120.430 0.300 1
1755 166 166 GLN NE2 N 115.114 0.300 1
1756 167 167 ILE H H 8.938 0.030 1
1757 167 167 ILE HA H 5.567 0.030 1
1758 167 167 ILE HB H 1.875 0.030 1
1759 167 167 ILE HD1 H 0.859 0.030 1
1760 167 167 ILE HG12 H 1.572 0.030 1
1761 167 167 ILE HG13 H 1.572 0.030 1
1762 167 167 ILE HG2 H 0.807 0.030 1
1763 167 167 ILE C C 174.329 0.300 1
1764 167 167 ILE CA C 58.182 0.300 1
1765 167 167 ILE CB C 44.360 0.300 1
1766 167 167 ILE CD1 C 15.557 0.300 1
1767 167 167 ILE CG1 C 26.615 0.300 1
1768 167 167 ILE CG2 C 21.178 0.300 1
1769 167 167 ILE N N 120.170 0.300 1
1770 168 168 THR H H 8.379 0.030 1
1771 168 168 THR HA H 5.340 0.030 1
1772 168 168 THR HB H 3.810 0.030 1
1773 168 168 THR HG2 H 1.019 0.030 1
1774 168 168 THR C C 173.438 0.300 1
1775 168 168 THR CA C 62.304 0.300 1
1776 168 168 THR CB C 72.649 0.300 1
1777 168 168 THR CG2 C 21.033 0.300 1
1778 168 168 THR N N 116.718 0.300 1
1779 169 169 VAL H H 9.546 0.030 1
1780 169 169 VAL HA H 4.016 0.030 1
1781 169 169 VAL HB H 1.868 0.030 1
1782 169 169 VAL HG1 H 0.887 0.030 1
1783 169 169 VAL HG2 H 0.587 0.030 1
1784 169 169 VAL C C 174.710 0.300 1
1785 169 169 VAL CA C 62.995 0.300 1
1786 169 169 VAL CB C 32.663 0.300 1
1787 169 169 VAL CG1 C 21.992 0.300 2
1788 169 169 VAL CG2 C 21.848 0.300 2
1789 169 169 VAL N N 128.086 0.300 1
1790 170 170 LEU H H 8.250 0.030 1
1791 170 170 LEU HA H 4.166 0.030 1
1792 170 170 LEU HB2 H 1.452 0.030 2
1793 170 170 LEU HB3 H 1.291 0.030 2
1794 170 170 LEU HD1 H 0.748 0.030 1
1795 170 170 LEU HD2 H 0.679 0.030 1
1796 170 170 LEU HG H 1.466 0.030 1
1797 170 170 LEU C C 169.397 0.300 1
1798 170 170 LEU CA C 55.571 0.300 1
1799 170 170 LEU CB C 42.845 0.300 1
1800 170 170 LEU CD1 C 26.483 0.300 2
1801 170 170 LEU CD2 C 22.170 0.300 2
1802 170 170 LEU CG C 26.718 0.300 1
1803 170 170 LEU N N 134.019 0.300 1
stop_
save_